smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)c(Cl)c1Cl ZINC000000628038 551504277 /nfs/dbraw/zinc/50/42/77/551504277.db2.gz LYFLXMJFSQRXID-UHFFFAOYSA-N 0 1 501.413 4.912 50 0 KJAAMN Cc1ccc(N2C(=O)C(=Cc3cn(CC(=O)N4CCCC4)c4ccccc34)C(=O)NC2=S)cc1Cl ZINC000000634775 551505889 /nfs/dbraw/zinc/50/58/89/551505889.db2.gz KGBQVDCOJKSZEU-UDWIEESQSA-N 0 1 507.015 4.897 50 0 KJAAMN Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)Nc2cccc3nsnc32)cc1 ZINC000000652208 551512969 /nfs/dbraw/zinc/51/29/69/551512969.db2.gz RUFCWEYSPIASCP-UHFFFAOYSA-N 0 1 503.403 4.815 50 0 KJAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)cc2)n1 ZINC000000655794 551513939 /nfs/dbraw/zinc/51/39/39/551513939.db2.gz UZKYGPPITLEOPB-UHFFFAOYSA-N 0 1 524.606 4.999 50 0 KJAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)c1 ZINC000000658937 551514573 /nfs/dbraw/zinc/51/45/73/551514573.db2.gz SRHXJTSCIHBRPG-UHFFFAOYSA-N 0 1 511.383 4.829 50 0 KJAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(COc2ccc(Br)cc2)c1 ZINC000000689123 551526757 /nfs/dbraw/zinc/52/67/57/551526757.db2.gz JJGRHQWIZDZVHB-UHFFFAOYSA-N 0 1 539.411 4.871 50 0 KJAAMN Cc1ccc(C)c(N(CC(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000000866595 551552892 /nfs/dbraw/zinc/55/28/92/551552892.db2.gz MJGPSCPGSFOPMC-UHFFFAOYSA-N 0 1 549.674 4.938 50 0 KJAAMN Cc1ccc(C(=O)N[C@H](Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)C(Cl)(Cl)Cl)cc1 ZINC000000911175 551570573 /nfs/dbraw/zinc/57/05/73/551570573.db2.gz VZHQCMZIPMCDBF-FQEVSTJZSA-N 0 1 542.876 4.741 50 0 KJAAMN Cc1ccc(C(=O)N[C@@H](Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)C(Cl)(Cl)Cl)cc1 ZINC000000911177 551570584 /nfs/dbraw/zinc/57/05/84/551570584.db2.gz VZHQCMZIPMCDBF-HXUWFJFHSA-N 0 1 542.876 4.741 50 0 KJAAMN CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000000943706 551588141 /nfs/dbraw/zinc/58/81/41/551588141.db2.gz RTAGLJPSPWJMEF-UHFFFAOYSA-N 0 1 502.596 4.621 50 0 KJAAMN CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000000955748 551589827 /nfs/dbraw/zinc/58/98/27/551589827.db2.gz FQRXVQLNBGYEGU-UHFFFAOYSA-N 0 1 517.489 4.765 50 0 KJAAMN COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3Cl)cc2)cc1 ZINC000000982714 551592046 /nfs/dbraw/zinc/59/20/46/551592046.db2.gz WTQUIMPKRBMFEP-UHFFFAOYSA-N 0 1 517.412 4.612 50 0 KJAAMN COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1 ZINC000001040937 551599148 /nfs/dbraw/zinc/59/91/48/551599148.db2.gz CPEPZYCJMMIOJX-UHFFFAOYSA-N 0 1 504.568 4.587 50 0 KJAAMN O=C(NCc1ccco1)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000001050395 551599730 /nfs/dbraw/zinc/59/97/30/551599730.db2.gz TWYBZAQHIKOHLS-UHFFFAOYSA-N 0 1 509.971 4.916 50 0 KJAAMN O=C(Nc1ccccc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(I)cc2)c1 ZINC000001054962 551600100 /nfs/dbraw/zinc/60/01/00/551600100.db2.gz MPRZIAVMRUCXFP-UHFFFAOYSA-N 0 1 512.756 4.998 50 0 KJAAMN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c(Cl)c1Cl ZINC000001127040 551614254 /nfs/dbraw/zinc/61/42/54/551614254.db2.gz WZNDHPDSPDPNPV-UHFFFAOYSA-N 0 1 505.376 4.743 50 0 KJAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)cc2)c1 ZINC000001129416 551615369 /nfs/dbraw/zinc/61/53/69/551615369.db2.gz ZEOBYOOMUQSVJW-UHFFFAOYSA-N 0 1 595.699 4.890 50 0 KJAAMN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c(Cl)c1Cl ZINC000001145119 551618197 /nfs/dbraw/zinc/61/81/97/551618197.db2.gz LKLHTCTUVBHHQO-UHFFFAOYSA-N 0 1 501.413 4.912 50 0 KJAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000001274657 551635382 /nfs/dbraw/zinc/63/53/82/551635382.db2.gz YZUYFDBAUXUNHL-SJBKTWHCSA-N 0 1 574.225 4.977 50 0 KJAAMN Cn1c2ccc(S(=O)(=O)Nc3cc4c(oc5c4C(=O)CC(C)(C)C5)c4ccccc34)cc2n(C)c1=O ZINC000001320754 551641272 /nfs/dbraw/zinc/64/12/72/551641272.db2.gz NTKFDFKAZMOOGH-UHFFFAOYSA-N 0 1 503.580 4.732 50 0 KJAAMN N=C(COc1ccc(Cl)cc1)NNS(=O)(=O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000001397385 551661233 /nfs/dbraw/zinc/66/12/33/551661233.db2.gz WBGZAWYKYUIJJX-UHFFFAOYSA-N 0 1 539.388 4.899 50 0 KJAAMN CN(CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)CCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O ZINC000001413663 551666002 /nfs/dbraw/zinc/66/60/02/551666002.db2.gz UDFGHKFTCWJJEE-JZTLMNBPSA-N 0 1 572.064 4.773 50 0 KJAAMN CCOC(=O)C1=C(CSc2nc3ccc(C)cc3[nH]2)NC(=O)N[C@H]1c1cc(OCC)ccc1OCC ZINC000001425289 551669297 /nfs/dbraw/zinc/66/92/97/551669297.db2.gz JNYDGMPKXHHFMY-QHCPKHFHSA-N 0 1 510.616 4.632 50 0 KJAAMN CCOC(=O)C1=C(CSc2nc3ccc(C)cc3[nH]2)NC(=O)N[C@@H]1c1cc(OCC)ccc1OCC ZINC000001425290 551669259 /nfs/dbraw/zinc/66/92/59/551669259.db2.gz JNYDGMPKXHHFMY-HSZRJFAPSA-N 0 1 510.616 4.632 50 0 KJAAMN C=CCOc1ccc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1I ZINC000002080466 551751286 /nfs/dbraw/zinc/75/12/86/551751286.db2.gz RAGJSQULRSWWIH-XNTDXEJSSA-N 0 1 508.312 4.667 50 0 KJAAMN N#Cc1ccccc1COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1I ZINC000002080641 551751238 /nfs/dbraw/zinc/75/12/38/551751238.db2.gz NWTCSOFJNSKDQC-RGVLZGJSSA-N 0 1 583.382 4.712 50 0 KJAAMN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3O)sc2=N1 ZINC000002086220 551756107 /nfs/dbraw/zinc/75/61/07/551756107.db2.gz GLGODNVPKDMUGL-QCHPHUCNSA-N 0 1 536.440 4.886 50 0 KJAAMN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3O)sc2=N1 ZINC000002086222 551756155 /nfs/dbraw/zinc/75/61/55/551756155.db2.gz GLGODNVPKDMUGL-VZIOXZNFSA-N 0 1 536.440 4.886 50 0 KJAAMN COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)n2)c(OC)c1 ZINC000002144005 551775544 /nfs/dbraw/zinc/77/55/44/551775544.db2.gz SPDSJUJKDYUXPV-UHFFFAOYSA-N 0 1 594.646 4.613 50 0 KJAAMN C[S@](=O)(=NC(=S)NC(=O)c1cnn2c1nc(C(F)(F)F)cc2C(F)(F)F)c1ccc(Cl)cc1 ZINC000002156975 551779892 /nfs/dbraw/zinc/77/98/92/551779892.db2.gz VCMDGKDQDRMKFZ-MGBGTMOVSA-N 0 1 529.875 4.592 50 0 KJAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1ccccc1Cl ZINC000002163918 551781328 /nfs/dbraw/zinc/78/13/28/551781328.db2.gz YNFXZYCFJMWZBR-VZZQTLFRSA-N 0 1 568.276 4.573 50 0 KJAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000002163921 551781381 /nfs/dbraw/zinc/78/13/81/551781381.db2.gz YNFXZYCFJMWZBR-IISPMBILSA-N 0 1 568.276 4.573 50 0 KJAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000002185158 551786204 /nfs/dbraw/zinc/78/62/04/551786204.db2.gz KZLRKSVNZPYGRB-VZZQTLFRSA-N 0 1 568.276 4.573 50 0 KJAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000002185160 551786209 /nfs/dbraw/zinc/78/62/09/551786209.db2.gz KZLRKSVNZPYGRB-IISPMBILSA-N 0 1 568.276 4.573 50 0 KJAAMN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000002207613 551793566 /nfs/dbraw/zinc/79/35/66/551793566.db2.gz ZPAAHLZDVFREDC-UHFFFAOYSA-N 0 1 542.646 4.861 50 0 KJAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3sc4ccccc4c3Cl)cc2)n1 ZINC000002369624 552104841 /nfs/dbraw/zinc/10/48/41/552104841.db2.gz HLQOLZHEKXTDFE-UHFFFAOYSA-N 0 1 532.072 4.889 50 0 KJAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000002447556 552122075 /nfs/dbraw/zinc/12/20/75/552122075.db2.gz KRMNBXYOSFJGGX-ZDXQCDESSA-N 0 1 523.383 4.913 50 0 KJAAMN O=C(CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000002625822 552138722 /nfs/dbraw/zinc/13/87/22/552138722.db2.gz QJVBQJUTJIFPIX-UHFFFAOYSA-N 0 1 526.471 4.684 50 0 KJAAMN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000002636983 552141298 /nfs/dbraw/zinc/14/12/98/552141298.db2.gz XCPYFXZFAXJJSI-UHFFFAOYSA-N 0 1 509.009 4.614 50 0 KJAAMN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc12 ZINC000002638576 552141765 /nfs/dbraw/zinc/14/17/65/552141765.db2.gz JBJYEISHGKBCIW-UHFFFAOYSA-N 0 1 539.042 4.951 50 0 KJAAMN COc1ccc(-c2n[nH]c(S[C@@H](CC(=O)NC[C@H](O)c3ccccc3)c3ccc(OC)cc3)n2)cc1 ZINC000002709037 552160459 /nfs/dbraw/zinc/16/04/59/552160459.db2.gz FKDORTKGYLMYKX-ZEQRLZLVSA-N 0 1 504.612 4.562 50 0 KJAAMN COc1ccc(-c2n[nH]c(S[C@H](CC(=O)NC[C@H](O)c3ccccc3)c3ccc(OC)cc3)n2)cc1 ZINC000002709039 552160389 /nfs/dbraw/zinc/16/03/89/552160389.db2.gz FKDORTKGYLMYKX-BJKOFHAPSA-N 0 1 504.612 4.562 50 0 KJAAMN COc1ccc(-c2n[nH]c(S[C@@H](CC(=O)NC[C@@H](O)c3ccccc3)c3ccc(OC)cc3)n2)cc1 ZINC000002709042 552160449 /nfs/dbraw/zinc/16/04/49/552160449.db2.gz FKDORTKGYLMYKX-RPWUZVMVSA-N 0 1 504.612 4.562 50 0 KJAAMN COc1ccc(-c2n[nH]c(S[C@H](CC(=O)NC[C@@H](O)c3ccccc3)c3ccc(OC)cc3)n2)cc1 ZINC000002709044 552160472 /nfs/dbraw/zinc/16/04/72/552160472.db2.gz FKDORTKGYLMYKX-DNQXCXABSA-N 0 1 504.612 4.562 50 0 KJAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccccc4)n3-c3ccccc3)cc2)n1 ZINC000002739523 552171257 /nfs/dbraw/zinc/17/12/57/552171257.db2.gz IGDHSQLBQXWCAT-UHFFFAOYSA-N 0 1 557.661 4.564 50 0 KJAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(COc2ccccc2Br)cc1 ZINC000002761211 552182503 /nfs/dbraw/zinc/18/25/03/552182503.db2.gz ZRXLQHOFKJSNFB-UHFFFAOYSA-N 0 1 539.411 4.871 50 0 KJAAMN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c(Cl)c1Cl ZINC000002838299 552198221 /nfs/dbraw/zinc/19/82/21/552198221.db2.gz FWNAJGGMIHEBDM-UHFFFAOYSA-N 0 1 501.413 4.912 50 0 KJAAMN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000002841294 552199173 /nfs/dbraw/zinc/19/91/73/552199173.db2.gz URMPJWILCLGUDL-UHFFFAOYSA-N 0 1 555.645 4.527 50 0 KJAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccc(Br)cc3)NC(=O)c3ccco3)cc2)n1 ZINC000002841859 552199473 /nfs/dbraw/zinc/19/94/73/552199473.db2.gz XTXKTJIJRMZXNT-JCMHNJIXSA-N 0 1 596.463 4.659 50 0 KJAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000002852384 552201387 /nfs/dbraw/zinc/20/13/87/552201387.db2.gz GMDIHSLQMQGGCR-UHFFFAOYSA-N 0 1 541.662 4.617 50 0 KJAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000002857825 552202907 /nfs/dbraw/zinc/20/29/07/552202907.db2.gz BLNRTIYGSUVNSK-UHFFFAOYSA-N 0 1 503.653 4.786 50 0 KJAAMN COC(=O)CSc1ccc([C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000002872974 552206873 /nfs/dbraw/zinc/20/68/73/552206873.db2.gz CEPPMJUAEJDPKE-INIZCTEOSA-N 0 1 503.256 4.995 50 0 KJAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2I)cc1 ZINC000002875990 552207697 /nfs/dbraw/zinc/20/76/97/552207697.db2.gz FMTILYUUNWQRPB-UHFFFAOYSA-N 0 1 522.364 4.661 50 0 KJAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2CNc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000002883665 552209102 /nfs/dbraw/zinc/20/91/02/552209102.db2.gz IUOPCAQPTQXRQU-UHFFFAOYSA-N 0 1 537.667 4.616 50 0 KJAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000002913616 552215578 /nfs/dbraw/zinc/21/55/78/552215578.db2.gz WDLBTFHXPBTOFK-UHFFFAOYSA-N 0 1 520.206 4.609 50 0 KJAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccc(Br)cc1)Nc1ccccc1C(F)(F)F ZINC000002913654 552215528 /nfs/dbraw/zinc/21/55/28/552215528.db2.gz LOQCEBRSOFBOIE-UHFFFAOYSA-N 0 1 524.322 4.621 50 0 KJAAMN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4cc(Br)ccc4[nH]c3=S)cc2)cc1OC ZINC000002973682 552245521 /nfs/dbraw/zinc/24/55/21/552245521.db2.gz KBKIMBIHWIFOSB-UHFFFAOYSA-N 0 1 554.466 4.860 50 0 KJAAMN O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1)N1CCc2ccccc2C1 ZINC000002973687 552245445 /nfs/dbraw/zinc/24/54/45/552245445.db2.gz OJVNRAYNDGHYHX-UHFFFAOYSA-N 0 1 506.425 4.695 50 0 KJAAMN O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000002973697 552245472 /nfs/dbraw/zinc/24/54/72/552245472.db2.gz LRNKSFHDZGHSBD-UHFFFAOYSA-N 0 1 593.503 4.557 50 0 KJAAMN O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000002973698 552245530 /nfs/dbraw/zinc/24/55/30/552245530.db2.gz MAGIYYAWJGSGJD-UHFFFAOYSA-N 0 1 553.457 4.971 50 0 KJAAMN COc1ccc(CCNC(=O)CCCCCn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1OC ZINC000002973902 552245704 /nfs/dbraw/zinc/24/57/04/552245704.db2.gz 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COc1ccccc1NS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000006143009 552544620 /nfs/dbraw/zinc/54/46/20/552544620.db2.gz AFLFJTCAHRXJEF-CQSZACIVSA-N 0 1 523.394 4.987 50 0 KJAAMN C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)C(=O)c1ccc(Br)cc1 ZINC000006144301 552546090 /nfs/dbraw/zinc/54/60/90/552546090.db2.gz PZALUMHWUSVXCP-AWEZNQCLSA-N 0 1 506.349 4.817 50 0 KJAAMN C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)C(=O)c1ccc(Br)cc1 ZINC000006144302 552546130 /nfs/dbraw/zinc/54/61/30/552546130.db2.gz PZALUMHWUSVXCP-CQSZACIVSA-N 0 1 506.349 4.817 50 0 KJAAMN CCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000006146085 552547657 /nfs/dbraw/zinc/54/76/57/552547657.db2.gz SIXSKRHITMAMTP-UHFFFAOYSA-N 0 1 503.527 4.626 50 0 KJAAMN CCOC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)nc1C ZINC000006146147 552547732 /nfs/dbraw/zinc/54/77/32/552547732.db2.gz JETQSTYTBRMTPQ-UHFFFAOYSA-N 0 1 501.630 4.915 50 0 KJAAMN CCOC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)sc2c1CCCC2 ZINC000006146150 552547951 /nfs/dbraw/zinc/54/79/51/552547951.db2.gz ATKWVUDINXSTBG-UHFFFAOYSA-N 0 1 502.589 4.996 50 0 KJAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 ZINC000006146304 552548048 /nfs/dbraw/zinc/54/80/48/552548048.db2.gz FYVQNXGYRGCHTK-UHFFFAOYSA-N 0 1 552.447 4.915 50 0 KJAAMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C ZINC000006146584 552548248 /nfs/dbraw/zinc/54/82/48/552548248.db2.gz RTRFPLHRDISZLI-UHFFFAOYSA-N 0 1 541.695 4.758 50 0 KJAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Br)c(C)c2)cc1OC ZINC000006146603 552548315 /nfs/dbraw/zinc/54/83/15/552548315.db2.gz MLJNCCJCVDKLRH-UHFFFAOYSA-N 0 1 505.390 4.828 50 0 KJAAMN Cc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1Br ZINC000006146606 552548225 /nfs/dbraw/zinc/54/82/25/552548225.db2.gz CAZOZSRXWSXSPY-UHFFFAOYSA-N 0 1 503.374 4.582 50 0 KJAAMN O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000006146980 552548810 /nfs/dbraw/zinc/54/88/10/552548810.db2.gz ZMKAXTOTDXRXOT-UHFFFAOYSA-N 0 1 590.477 4.574 50 0 KJAAMN CCN(Cc1ccccc1)C(=O)c1c[nH]c2ccc(S(=O)(=O)N(CC)c3cccc(C)c3)cc2c1=O ZINC000006181039 552561155 /nfs/dbraw/zinc/56/11/55/552561155.db2.gz ZHLPMAAVHXVPCI-UHFFFAOYSA-N 0 1 503.624 4.714 50 0 KJAAMN CN(C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2c1=O)C1CCCCC1 ZINC000006181242 552561622 /nfs/dbraw/zinc/56/16/22/552561622.db2.gz YKYAWVLKWVOWRO-UHFFFAOYSA-N 0 1 532.460 4.520 50 0 KJAAMN COc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCC3=CCCCC3)c(=O)c2c1 ZINC000006181278 552561693 /nfs/dbraw/zinc/56/16/93/552561693.db2.gz KMGAGJRKSQHQIO-UHFFFAOYSA-N 0 1 530.046 4.636 50 0 KJAAMN CCN(Cc1ccccc1)C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc2c1=O ZINC000006181326 552561557 /nfs/dbraw/zinc/56/15/57/552561557.db2.gz IXNYBEXZZJLFBV-UHFFFAOYSA-N 0 1 510.015 4.669 50 0 KJAAMN Cc1cccc(CCNC(=O)c2c[nH]c3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc3c2=O)c1 ZINC000006181471 552562192 /nfs/dbraw/zinc/56/21/92/552562192.db2.gz FINGQBRFGSEBGY-UHFFFAOYSA-N 0 1 503.624 4.733 50 0 KJAAMN Cc1ccc(CCNC(=O)c2c[nH]c3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc3c2=O)cc1 ZINC000006181474 552562177 /nfs/dbraw/zinc/56/21/77/552562177.db2.gz NCUOTLNDUHCXQY-UHFFFAOYSA-N 0 1 503.624 4.733 50 0 KJAAMN CCc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccc(Cl)cc4)c(=O)c3c2)cc1 ZINC000006181494 552562338 /nfs/dbraw/zinc/56/23/38/552562338.db2.gz REDGEXIESNJJJY-UHFFFAOYSA-N 0 1 510.015 4.517 50 0 KJAAMN CCCCSCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2c1=O ZINC000006181534 552562651 /nfs/dbraw/zinc/56/26/51/552562651.db2.gz IKFOPYBKCUNXGY-UHFFFAOYSA-N 0 1 501.674 4.599 50 0 KJAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cc(OC)c(OC)cc2Cc2nccc3cc(OC)c(OC)cc32)c1 ZINC000006229281 552571897 /nfs/dbraw/zinc/57/18/97/552571897.db2.gz VIWXKMRVBPBXCX-UHFFFAOYSA-N 0 1 554.621 4.678 50 0 KJAAMN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(=O)(=O)Nc4ncccn4)cc3)C2=O)cc1C ZINC000006242642 552573308 /nfs/dbraw/zinc/57/33/08/552573308.db2.gz ZQCBWVJVVANREM-UQQQWYQISA-N 0 1 525.590 4.534 50 0 KJAAMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000006268714 552575756 /nfs/dbraw/zinc/57/57/56/552575756.db2.gz JWGFACBDPNYLEU-UHFFFAOYSA-N 0 1 547.964 4.783 50 0 KJAAMN CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C2=O)cc1 ZINC000006270325 552575829 /nfs/dbraw/zinc/57/58/29/552575829.db2.gz JZGLIAADMFKJSO-OVVQPSECSA-N 0 1 569.643 4.933 50 0 KJAAMN CC(C)c1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N(C)Cc4ccccc4)c(=O)c3c2)cc1 ZINC000006296717 552579035 /nfs/dbraw/zinc/57/90/35/552579035.db2.gz WMPPQABJNAHWKT-UHFFFAOYSA-N 0 1 503.624 4.749 50 0 KJAAMN CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NC3CCCCCC3)c(=O)c2c1 ZINC000006296741 552579001 /nfs/dbraw/zinc/57/90/01/552579001.db2.gz DDCXYGUOJSDHOQ-UHFFFAOYSA-N 0 1 532.460 4.568 50 0 KJAAMN COc1ccc2[nH]c(SCC(=O)Nc3ccccc3NC(=O)CSc3nc4ccc(OC)cc4[nH]3)nc2c1 ZINC000006459022 552589975 /nfs/dbraw/zinc/58/99/75/552589975.db2.gz 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536.440 4.886 50 0 KJAAMN COc1ccc(/C=C/c2ccnc(NS(=O)(=O)c3ccc(NC(=O)c4ccccc4)cc3)n2)cc1OC ZINC000008445090 553053163 /nfs/dbraw/zinc/05/31/63/553053163.db2.gz IYGKEJLBNMVQAS-CSKARUKUSA-N 0 1 516.579 4.717 50 0 KJAAMN CCOc1cc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCO)ccc1OCc1ccccc1 ZINC000008569259 553078068 /nfs/dbraw/zinc/07/80/68/553078068.db2.gz BTVIECRAGQLPGP-MUUNZHRXSA-N 0 1 513.594 4.914 50 0 KJAAMN CCOc1cc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCO)ccc1OCc1ccccc1 ZINC000008569262 553078019 /nfs/dbraw/zinc/07/80/19/553078019.db2.gz BTVIECRAGQLPGP-NDEPHWFRSA-N 0 1 513.594 4.914 50 0 KJAAMN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000008591840 553082840 /nfs/dbraw/zinc/08/28/40/553082840.db2.gz ISAVYVFDBWTSEF-UHFFFAOYSA-N 0 1 521.040 4.706 50 0 KJAAMN Cc1ccc(-n2ncc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c2-n2cccc2)cc1 ZINC000008592110 553083620 /nfs/dbraw/zinc/08/36/20/553083620.db2.gz NIGXVFVKCYKGPU-UHFFFAOYSA-N 0 1 503.050 4.567 50 0 KJAAMN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000008592174 553083546 /nfs/dbraw/zinc/08/35/46/553083546.db2.gz IHRXGKZQYQTNPS-UHFFFAOYSA-N 0 1 517.077 4.875 50 0 KJAAMN COc1cc(Cl)c(C)cc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(=O)[nH]1 ZINC000008604412 553097443 /nfs/dbraw/zinc/09/74/43/553097443.db2.gz ZWERUJUANXJTRV-UHFFFAOYSA-N 0 1 536.075 4.601 50 0 aggregator KJAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCCOC(C)C)cc(OC)c1OC ZINC000008606630 553098389 /nfs/dbraw/zinc/09/83/89/553098389.db2.gz KHSFIVAGPMVNEL-AREMUKBSSA-N 0 1 509.603 4.785 50 0 KJAAMN COc1cc([C@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCCOC(C)C)cc(OC)c1OC ZINC000008606631 553098500 /nfs/dbraw/zinc/09/85/00/553098500.db2.gz KHSFIVAGPMVNEL-SANMLTNESA-N 0 1 509.603 4.785 50 0 KJAAMN O[C@@H](CN1CCN(c2nc3ccc(Cl)cc3s2)CC1)CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000008616573 553102498 /nfs/dbraw/zinc/10/24/98/553102498.db2.gz HMRQJNICZSIWNW-LJQANCHMSA-N 0 1 589.515 4.712 50 0 KJAAMN O[C@H](CN1CCN(c2nc3ccc(Cl)cc3s2)CC1)CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000008616574 553102440 /nfs/dbraw/zinc/10/24/40/553102440.db2.gz HMRQJNICZSIWNW-IBGZPJMESA-N 0 1 589.515 4.712 50 0 KJAAMN COC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3cscc3C(=O)OC)cc2)c(C(F)(F)F)s1 ZINC000008637236 553106251 /nfs/dbraw/zinc/10/62/51/553106251.db2.gz SRLXIVWWJVBXIW-UHFFFAOYSA-N 0 1 505.517 4.869 50 0 KJAAMN COC(=O)c1sccc1NC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000008654404 553108254 /nfs/dbraw/zinc/10/82/54/553108254.db2.gz NUTCULFNOONNRU-UHFFFAOYSA-N 0 1 541.470 4.829 50 0 aggregator KJAAMN O=C(CSc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(C(F)(F)F)s1 ZINC000008667138 553109772 /nfs/dbraw/zinc/10/97/72/553109772.db2.gz SZDJWDFFPBIUQC-UHFFFAOYSA-N 0 1 508.956 4.742 50 0 KJAAMN O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000008684400 553113451 /nfs/dbraw/zinc/11/34/51/553113451.db2.gz GUGKIDSKXKWITI-UHFFFAOYSA-N 0 1 552.049 4.707 50 0 aggregator KJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(OCc4c(C)noc4C)c3)ccc2OC)cc1 ZINC000008686898 553116030 /nfs/dbraw/zinc/11/60/30/553116030.db2.gz XKEAEPFHGBHIRR-UHFFFAOYSA-N 0 1 537.594 4.941 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000008686948 553116169 /nfs/dbraw/zinc/11/61/69/553116169.db2.gz BCRPNNJAYXXQIP-UHFFFAOYSA-N 0 1 557.694 4.621 50 0 KJAAMN COc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)c(OC)cc3OC)c2)cc1 ZINC000008694154 553119183 /nfs/dbraw/zinc/11/91/83/553119183.db2.gz LOIPDGFJRKDXSJ-HNNXBMFYSA-N 0 1 533.986 4.595 50 0 aggregator KJAAMN COc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)c(OC)cc3OC)c2)cc1 ZINC000008694155 553119088 /nfs/dbraw/zinc/11/90/88/553119088.db2.gz LOIPDGFJRKDXSJ-OAHLLOKOSA-N 0 1 533.986 4.595 50 0 aggregator KJAAMN CCOc1ccc(CCNC(=O)CC2(CC3=Nc4ccccc4S(=O)(=O)N3)CCCC2)cc1OCC ZINC000008757067 553136484 /nfs/dbraw/zinc/13/64/84/553136484.db2.gz WUGZMKSBZNNBSO-UHFFFAOYSA-N 0 1 513.660 4.505 50 0 KJAAMN CN(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)CCN1C(=O)S/C(=C\c2ccnc3ccccc23)C1=O ZINC000008766749 553139113 /nfs/dbraw/zinc/13/91/13/553139113.db2.gz CGXYZVWOQUFUBI-BOYKQRMESA-N 0 1 544.658 4.939 50 0 KJAAMN CCCCSCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc(CC)cc3)cc2c1=O ZINC000008813442 553150876 /nfs/dbraw/zinc/15/08/76/553150876.db2.gz YRNBMCBVWQZBSX-UHFFFAOYSA-N 0 1 501.674 4.545 50 0 KJAAMN COc1ccc(CN2C(=O)c3n[nH]c(-c4cc(C)ccc4O)c3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000008845712 553165732 /nfs/dbraw/zinc/16/57/32/553165732.db2.gz NUBNYHWAPJSAGM-HHHXNRCGSA-N 0 1 515.566 4.871 50 0 KJAAMN COc1ccc(CN2C(=O)c3n[nH]c(-c4cc(C)ccc4O)c3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000008845713 553165762 /nfs/dbraw/zinc/16/57/62/553165762.db2.gz NUBNYHWAPJSAGM-MHZLTWQESA-N 0 1 515.566 4.871 50 0 KJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)ccc4O)c3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000008845724 553165718 /nfs/dbraw/zinc/16/57/18/553165718.db2.gz IGWDSIYDSSNUAQ-MUUNZHRXSA-N 0 1 529.593 4.913 50 0 KJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)ccc4O)c3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000008845725 553165746 /nfs/dbraw/zinc/16/57/46/553165746.db2.gz IGWDSIYDSSNUAQ-NDEPHWFRSA-N 0 1 529.593 4.913 50 0 KJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)ccc4O)c3[C@H]2c2ccc(O)c(OC)c2)cc1OC ZINC000008845728 553165855 /nfs/dbraw/zinc/16/58/55/553165855.db2.gz NXGFJMKYPSNROM-MUUNZHRXSA-N 0 1 515.566 4.610 50 0 KJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)ccc4O)c3[C@@H]2c2ccc(O)c(OC)c2)cc1OC ZINC000008845729 553165751 /nfs/dbraw/zinc/16/57/51/553165751.db2.gz NXGFJMKYPSNROM-NDEPHWFRSA-N 0 1 515.566 4.610 50 0 KJAAMN O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)ccc1Cl ZINC000008856590 553167586 /nfs/dbraw/zinc/16/75/86/553167586.db2.gz MYCLNKGJIVQOAH-UHFFFAOYSA-N 0 1 514.091 4.867 50 0 KJAAMN CC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21 ZINC000008892211 553176484 /nfs/dbraw/zinc/17/64/84/553176484.db2.gz USOOSUCQAHQJJY-AFGJWPEXSA-N 0 1 501.586 4.770 50 0 KJAAMN Cc1cc2sc(N3CCC(C(=O)NCCCN4CCN(c5ccc(F)cc5)CC4)CC3)nc2c(C)c1 ZINC000008911763 553184481 /nfs/dbraw/zinc/18/44/81/553184481.db2.gz HDQPWVMEHHSPRQ-UHFFFAOYSA-N 0 1 509.695 4.597 50 0 KJAAMN O=C(CN1c2ccccc2Sc2ncccc2C1=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000008912132 553185318 /nfs/dbraw/zinc/18/53/18/553185318.db2.gz JHNRKOUIFHRXII-UHFFFAOYSA-N 0 1 507.059 4.875 50 0 KJAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)n1 ZINC000008916560 553186819 /nfs/dbraw/zinc/18/68/19/553186819.db2.gz CLSFBQDVNAHVPQ-UHFFFAOYSA-N 0 1 509.415 4.999 50 0 KJAAMN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000008922854 553190210 /nfs/dbraw/zinc/19/02/10/553190210.db2.gz PPGOIHFQEJNFNF-DEOSSOPVSA-N 0 1 521.595 4.900 50 0 KJAAMN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000008922860 553190314 /nfs/dbraw/zinc/19/03/14/553190314.db2.gz PPGOIHFQEJNFNF-XMMPIXPASA-N 0 1 521.595 4.900 50 0 KJAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc2)N3)C1 ZINC000008928025 553192356 /nfs/dbraw/zinc/19/23/56/553192356.db2.gz QXNFGLXJVZEDND-DEOSSOPVSA-N 0 1 523.611 4.800 50 0 KJAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc2)N3)C1 ZINC000008928027 553192425 /nfs/dbraw/zinc/19/24/25/553192425.db2.gz QXNFGLXJVZEDND-XMMPIXPASA-N 0 1 523.611 4.800 50 0 KJAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c2)N3)C1 ZINC000008928028 553192415 /nfs/dbraw/zinc/19/24/15/553192415.db2.gz KXUJQXAURFLQAG-DEOSSOPVSA-N 0 1 523.611 4.800 50 0 KJAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c2)N3)C1 ZINC000008928030 553192374 /nfs/dbraw/zinc/19/23/74/553192374.db2.gz KXUJQXAURFLQAG-XMMPIXPASA-N 0 1 523.611 4.800 50 0 KJAAMN CC(=O)[C@@H]1C(=C(O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000008964784 553194760 /nfs/dbraw/zinc/19/47/60/553194760.db2.gz ZGUNVYSSRMGHBO-YIPGRGJBSA-N 0 1 512.949 4.631 50 0 biogenic KJAAMN Cc1ccc2nc(SCC(=O)Nc3cccc(NC(=O)CSc4nc5ccc(C)cc5[nH]4)n3)[nH]c2c1 ZINC000009096237 553209485 /nfs/dbraw/zinc/20/94/85/553209485.db2.gz FISGSTUIPITNBF-UHFFFAOYSA-N 0 1 517.640 4.913 50 0 KJAAMN Cc1ccc2[nH]c(SCC(=O)Nc3cccc(NC(=O)CSc4nc5ccc(C)cc5[nH]4)n3)nc2c1 ZINC000009096237 553209483 /nfs/dbraw/zinc/20/94/83/553209483.db2.gz FISGSTUIPITNBF-UHFFFAOYSA-N 0 1 517.640 4.913 50 0 KJAAMN COc1ccc(OC)c(C(O)=C2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000009111195 553210260 /nfs/dbraw/zinc/21/02/60/553210260.db2.gz WDKOIKGDAKLJBU-LCUIVBHPSA-N 0 1 508.574 4.656 50 0 KJAAMN COc1ccc(OC)c(C(O)=C2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000009111196 553210264 /nfs/dbraw/zinc/21/02/64/553210264.db2.gz WDKOIKGDAKLJBU-KFZSMJGVSA-N 0 1 508.574 4.656 50 0 KJAAMN COc1ccc(OC)c(C(O)=C2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000009111197 553210282 /nfs/dbraw/zinc/21/02/82/553210282.db2.gz WDKOIKGDAKLJBU-WCUAIIBCSA-N 0 1 508.574 4.656 50 0 KJAAMN COc1ccc(OC)c(C(O)=C2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000009111198 553210353 /nfs/dbraw/zinc/21/03/53/553210353.db2.gz WDKOIKGDAKLJBU-WKUVLXMOSA-N 0 1 508.574 4.656 50 0 KJAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000009123867 553212561 /nfs/dbraw/zinc/21/25/61/553212561.db2.gz UGELFIFSARJFIB-RUZDIDTESA-N 0 1 520.973 4.910 50 0 KJAAMN COc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000009123965 553212565 /nfs/dbraw/zinc/21/25/65/553212565.db2.gz UGELFIFSARJFIB-VWLOTQADSA-N 0 1 520.973 4.910 50 0 KJAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)ccc1OCc1ccccc1 ZINC000009124103 553212818 /nfs/dbraw/zinc/21/28/18/553212818.db2.gz QQLHYVHZTHTVJF-HHHXNRCGSA-N 0 1 519.985 4.869 50 0 KJAAMN COc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)ccc1OCc1ccccc1 ZINC000009124104 553212871 /nfs/dbraw/zinc/21/28/71/553212871.db2.gz QQLHYVHZTHTVJF-MHZLTWQESA-N 0 1 519.985 4.869 50 0 KJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)ccc4O)c3[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000009184759 553216809 /nfs/dbraw/zinc/21/68/09/553216809.db2.gz FJHICFMMMIKWLA-GDLZYMKVSA-N 0 1 529.593 4.913 50 0 KJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)ccc4O)c3[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000009184760 553216870 /nfs/dbraw/zinc/21/68/70/553216870.db2.gz FJHICFMMMIKWLA-LJAQVGFWSA-N 0 1 529.593 4.913 50 0 KJAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccncc5)nc4c32)cc1OC ZINC000009209846 553220522 /nfs/dbraw/zinc/22/05/22/553220522.db2.gz ZIBVGALDUFTUEJ-XMMPIXPASA-N 0 1 517.549 4.984 50 0 KJAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccncc5)nc4c32)cc1OC ZINC000009209847 553220563 /nfs/dbraw/zinc/22/05/63/553220563.db2.gz ZIBVGALDUFTUEJ-DEOSSOPVSA-N 0 1 517.549 4.984 50 0 KJAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccn5)nc4c32)cc1OC ZINC000009210275 553220675 /nfs/dbraw/zinc/22/06/75/553220675.db2.gz OBJZXBWRTGNOFV-XMMPIXPASA-N 0 1 517.549 4.984 50 0 KJAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000009242941 553226569 /nfs/dbraw/zinc/22/65/69/553226569.db2.gz KFGCXLJVOHVYES-RUZDIDTESA-N 0 1 500.555 4.565 50 0 KJAAMN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009272270 553231717 /nfs/dbraw/zinc/23/17/17/553231717.db2.gz UISRIDZTXICOOT-UHFFFAOYSA-N 0 1 506.500 4.653 50 0 KJAAMN CCOc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)sc2c1 ZINC000009282039 553233866 /nfs/dbraw/zinc/23/38/66/553233866.db2.gz LMBVKAJCQGRXTI-UHFFFAOYSA-N 0 1 500.627 4.622 50 0 KJAAMN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009282044 553233871 /nfs/dbraw/zinc/23/38/71/553233871.db2.gz KLDXOGRUNFLDLK-UHFFFAOYSA-N 0 1 518.536 4.523 50 0 KJAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccncc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009309437 553238339 /nfs/dbraw/zinc/23/83/39/553238339.db2.gz OCIIPZZPFIZDPZ-NHICWYPXSA-N 0 1 503.583 4.999 50 0 KJAAMN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009375461 553251328 /nfs/dbraw/zinc/25/13/28/553251328.db2.gz RIDOLRBYLJMQMV-UHFFFAOYSA-N 0 1 508.928 4.778 50 0 KJAAMN O=C(Nc1ccccc1)[C@H]1[C@@H](C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009380248 553251709 /nfs/dbraw/zinc/25/17/09/553251709.db2.gz KXWUYCXYCYLHPR-KUYWTNKVSA-N 0 1 501.542 4.892 50 0 KJAAMN O=C(Nc1ccccc1)[C@H]1C(C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009380248 553251706 /nfs/dbraw/zinc/25/17/06/553251706.db2.gz KXWUYCXYCYLHPR-KUYWTNKVSA-N 0 1 501.542 4.892 50 0 KJAAMN O=C(Nc1ccccc1)[C@H]1[C@@H](C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000009380249 553251688 /nfs/dbraw/zinc/25/16/88/553251688.db2.gz KXWUYCXYCYLHPR-VFJZKXQJSA-N 0 1 501.542 4.892 50 0 KJAAMN O=C(Nc1ccccc1)[C@H]1C(C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000009380249 553251686 /nfs/dbraw/zinc/25/16/86/553251686.db2.gz KXWUYCXYCYLHPR-VFJZKXQJSA-N 0 1 501.542 4.892 50 0 KJAAMN COC(=O)c1ccc(-c2csc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000009404928 553256044 /nfs/dbraw/zinc/25/60/44/553256044.db2.gz ORFDLWSWRRQVQG-UHFFFAOYSA-N 0 1 507.593 4.958 50 0 KJAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@@H]3c3cccs3)CC2)c1 ZINC000009407048 553256234 /nfs/dbraw/zinc/25/62/34/553256234.db2.gz KPIDBPKKCBXGRU-VSGBNLITSA-N 0 1 516.711 4.604 50 0 KJAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)[C@H]3c4ccccc4C(=O)N(C)[C@@H]3c3cccs3)CC2)c1 ZINC000009407049 553256231 /nfs/dbraw/zinc/25/62/31/553256231.db2.gz KPIDBPKKCBXGRU-WUFINQPMSA-N 0 1 516.711 4.604 50 0 KJAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@H]3c3cccs3)CC2)c1 ZINC000009407050 553256228 /nfs/dbraw/zinc/25/62/28/553256228.db2.gz KPIDBPKKCBXGRU-IZLXSDGUSA-N 0 1 516.711 4.604 50 0 KJAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)[C@H]3c4ccccc4C(=O)N(C)[C@H]3c3cccs3)CC2)c1 ZINC000009407051 553256241 /nfs/dbraw/zinc/25/62/41/553256241.db2.gz KPIDBPKKCBXGRU-NSOVKSMOSA-N 0 1 516.711 4.604 50 0 KJAAMN Cc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(Br)cc2)cc1Cl ZINC000009434224 553263704 /nfs/dbraw/zinc/26/37/04/553263704.db2.gz NOJKSDXIDAQODJ-UHFFFAOYSA-N 0 1 504.797 4.564 50 0 KJAAMN COc1ccc(-c2n[nH]c(S[C@H](CC(=O)NCc3ccco3)c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000009489500 553273234 /nfs/dbraw/zinc/27/32/34/553273234.db2.gz KFAHETRECBZBIC-JOCHJYFZSA-N 0 1 524.599 4.639 50 0 KJAAMN Cc1c(Cl)cccc1NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccc(Br)cc1 ZINC000009495603 553274575 /nfs/dbraw/zinc/27/45/75/553274575.db2.gz VXOLPUCZAOTDFQ-UHFFFAOYSA-N 0 1 504.797 4.564 50 0 KJAAMN CCCOc1ccc(CNC(=O)CC(C)(C)CC2=Nc3ccccc3S(=O)(=O)N2)cc1OCCC ZINC000009529613 553277143 /nfs/dbraw/zinc/27/71/43/553277143.db2.gz YGNAQZYFIPTUAZ-UHFFFAOYSA-N 0 1 501.649 4.709 50 0 KJAAMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1nnc(Cc2ccc(Cl)cc2Cl)o1 ZINC000009561217 553281009 /nfs/dbraw/zinc/28/10/09/553281009.db2.gz BKYSHBBHGXKQLL-UHFFFAOYSA-N 0 1 508.837 4.563 50 0 KJAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3nnc(Cc4ccc(Cl)cc4Cl)o3)CC2)c1 ZINC000009561218 553280991 /nfs/dbraw/zinc/28/09/91/553280991.db2.gz HCFGHJPSIYAFKN-UHFFFAOYSA-N 0 1 502.446 4.526 50 0 KJAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2nnc(Cc3ccc(Cl)cc3Cl)o2)CC1 ZINC000009561219 553281013 /nfs/dbraw/zinc/28/10/13/553281013.db2.gz WZGUKKKMYADRGG-UHFFFAOYSA-N 0 1 522.864 4.871 50 0 KJAAMN CCNc1cc(C)nc(Nc2ccc(NS(=O)(=O)c3cc(Br)ccc3OCC)cc2)n1 ZINC000009572469 553281276 /nfs/dbraw/zinc/28/12/76/553281276.db2.gz VIVYMFGMZACPQM-UHFFFAOYSA-N 0 1 506.426 4.922 50 0 KJAAMN CC1(C)Cc2c(sc3nc(N4CCN(CCc5ccccc5)CC4)n(-c4ccccc4)c(=O)c32)CO1 ZINC000009575697 553281469 /nfs/dbraw/zinc/28/14/69/553281469.db2.gz JTVTVYPOHDPMMR-UHFFFAOYSA-N 0 1 500.668 4.663 50 0 KJAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5cccnc5)nc4c32)cc1OC ZINC000009584178 553282428 /nfs/dbraw/zinc/28/24/28/553282428.db2.gz IBFZGUFMWLFMGB-XMMPIXPASA-N 0 1 517.549 4.984 50 0 KJAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5cccnc5)nc4c32)cc1OC ZINC000009584180 553282614 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COc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000012546622 553391641 /nfs/dbraw/zinc/39/16/41/553391641.db2.gz HYRWXKCKKSCIHA-UHFFFAOYSA-N 0 1 520.405 4.658 50 0 KJAAMN CCN(CC)c1ccc(NC(=O)c2ccc(Br)o2)cc1S(=O)(=O)Nc1ccccc1OC ZINC000012555358 553393289 /nfs/dbraw/zinc/39/32/89/553393289.db2.gz MPRKVIQEAWQCRH-UHFFFAOYSA-N 0 1 522.421 4.950 50 0 KJAAMN O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000012561241 553394609 /nfs/dbraw/zinc/39/46/09/553394609.db2.gz FVJDZRDOPYOPDH-UHFFFAOYSA-N 0 1 517.573 4.901 50 0 KJAAMN O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000012563175 553395553 /nfs/dbraw/zinc/39/55/53/553395553.db2.gz PZSZRGUTPXGUBP-UHFFFAOYSA-N 0 1 502.011 4.674 50 0 KJAAMN COc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1 ZINC000012570253 553398248 /nfs/dbraw/zinc/39/82/48/553398248.db2.gz GCBSSRCSOMSUTK-UHFFFAOYSA-N 0 1 525.627 4.512 50 0 KJAAMN CCOc1ccc2nc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)sc2c1 ZINC000012583733 553399506 /nfs/dbraw/zinc/39/95/06/553399506.db2.gz MOAZSEUYEMWSCZ-UHFFFAOYSA-N 0 1 511.581 4.519 50 0 KJAAMN O=C(Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)NC[C@H](c1ccco1)N1CCCC1 ZINC000012598757 553400667 /nfs/dbraw/zinc/40/06/67/553400667.db2.gz NIMJPPRQOGPQRR-JOCHJYFZSA-N 0 1 521.561 4.595 50 0 KJAAMN O=C(Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000012598758 553400631 /nfs/dbraw/zinc/40/06/31/553400631.db2.gz NIMJPPRQOGPQRR-QFIPXVFZSA-N 0 1 521.561 4.595 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 ZINC000012599868 553400978 /nfs/dbraw/zinc/40/09/78/553400978.db2.gz PJHZAPTYOADVPS-NXQMDHLFSA-N 0 1 517.644 4.965 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 ZINC000012599872 553401023 /nfs/dbraw/zinc/40/10/23/553401023.db2.gz PJHZAPTYOADVPS-IOZGHAEBSA-N 0 1 517.644 4.965 50 0 KJAAMN CCN(CC)c1ccc(NC(=S)NC(=O)C2CCCCC2)cc1S(=O)(=O)Nc1ccccc1OC ZINC000012621195 553403715 /nfs/dbraw/zinc/40/37/15/553403715.db2.gz AGMQEEPMSYNXFX-UHFFFAOYSA-N 0 1 518.705 4.736 50 0 KJAAMN COC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)c(OC)cc3OC)c2)cc1 ZINC000013027861 553437464 /nfs/dbraw/zinc/43/74/64/553437464.db2.gz PHQXGRJSZZRHAY-UHFFFAOYSA-N 0 1 518.975 4.505 50 0 KJAAMN CCOC(=O)C1C(COC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000013098277 553446982 /nfs/dbraw/zinc/44/69/82/553446982.db2.gz RGLWPEANKSEGRK-HHHXNRCGSA-N 0 1 522.561 4.567 50 0 KJAAMN CCOC(=O)C1C(COC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000013098278 553446996 /nfs/dbraw/zinc/44/69/96/553446996.db2.gz RGLWPEANKSEGRK-MHZLTWQESA-N 0 1 522.561 4.567 50 0 KJAAMN CCOC(=O)C1C(COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000013109783 553448204 /nfs/dbraw/zinc/44/82/04/553448204.db2.gz YDHAGDNVMRGABV-HHHXNRCGSA-N 0 1 522.561 4.567 50 0 KJAAMN CCOC(=O)C1C(COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000013109784 553448154 /nfs/dbraw/zinc/44/81/54/553448154.db2.gz YDHAGDNVMRGABV-MHZLTWQESA-N 0 1 522.561 4.567 50 0 KJAAMN COc1ccc(CC(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1 ZINC000013114495 553448771 /nfs/dbraw/zinc/44/87/71/553448771.db2.gz BVNUMFUZMPGTMI-UHFFFAOYSA-N 0 1 509.628 4.676 50 0 KJAAMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013127255 553449702 /nfs/dbraw/zinc/44/97/02/553449702.db2.gz GUABTSIRHBZQAH-UHFFFAOYSA-N 0 1 520.605 4.661 50 0 KJAAMN CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000013131455 553451437 /nfs/dbraw/zinc/45/14/37/553451437.db2.gz OWCACDQLXXNXAD-UHFFFAOYSA-N 0 1 534.726 4.630 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)COc2ccc(Br)cc2)ccc1C ZINC000013131621 553451442 /nfs/dbraw/zinc/45/14/42/553451442.db2.gz PGUVRZIEPUHMCS-UHFFFAOYSA-N 0 1 505.390 4.584 50 0 KJAAMN CCOc1ccc(C(=O)CCC(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1 ZINC000013137273 553453207 /nfs/dbraw/zinc/45/32/07/553453207.db2.gz WIDVLVWKHYMVTC-UHFFFAOYSA-N 0 1 512.584 4.505 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)COc2cccc(Br)c2)ccc1C ZINC000013138465 553453780 /nfs/dbraw/zinc/45/37/80/553453780.db2.gz NSDLFQVZFYVFIQ-UHFFFAOYSA-N 0 1 505.390 4.584 50 0 KJAAMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC(F)F)cc1 ZINC000013145764 553454833 /nfs/dbraw/zinc/45/48/33/553454833.db2.gz IPLKXIBVUBIWNZ-UHFFFAOYSA-N 0 1 522.401 4.562 50 0 KJAAMN COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)c(OC)cc3OC)c2)c1 ZINC000013148460 553455994 /nfs/dbraw/zinc/45/59/94/553455994.db2.gz RKBHQAYDZVJBGG-UHFFFAOYSA-N 0 1 518.975 4.505 50 0 KJAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(Cl)c(OC)c(OC)c3)ccc2OC)cc1 ZINC000013148811 553456121 /nfs/dbraw/zinc/45/61/21/553456121.db2.gz NSWAWNGRPLAXRI-UHFFFAOYSA-N 0 1 520.991 4.818 50 0 KJAAMN CCOc1c(Cl)cc(C(=O)Nc2ccc(OC)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1OC ZINC000013148923 553456145 /nfs/dbraw/zinc/45/61/45/553456145.db2.gz CLUGBNVVHWKFIN-UHFFFAOYSA-N 0 1 508.955 4.948 50 0 KJAAMN COc1cc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000013282803 553457574 /nfs/dbraw/zinc/45/75/74/553457574.db2.gz KFGCXLJVOHVYES-VWLOTQADSA-N 0 1 500.555 4.565 50 0 KJAAMN CCOc1ccccc1-n1c(=O)c([C@@H]2[NH2+]CCc3ccccc32)c([O-])nc1SCC(=O)c1ccc(C)cc1 ZINC000013512600 553467735 /nfs/dbraw/zinc/46/77/35/553467735.db2.gz SNQWHZVVKFZGKW-HHHXNRCGSA-N 0 1 527.646 4.855 50 0 KJAAMN COc1ccc(OC)c([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000013514004 553468075 /nfs/dbraw/zinc/46/80/75/553468075.db2.gz YSHCDVHRSBXTKW-ZRBLBEILSA-N 0 1 509.356 4.517 50 0 KJAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc1Cl ZINC000013523742 553468401 /nfs/dbraw/zinc/46/84/01/553468401.db2.gz TXDBCZRATVITGY-ZIAGYGMSSA-N 0 1 501.432 4.930 50 0 KJAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1Cl ZINC000013523747 553468385 /nfs/dbraw/zinc/46/83/85/553468385.db2.gz TXDBCZRATVITGY-KBPBESRZSA-N 0 1 501.432 4.930 50 0 KJAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3C[C@H](C)C[C@H](C)C3)c2)cc1Cl ZINC000013523752 553468446 /nfs/dbraw/zinc/46/84/46/553468446.db2.gz TXDBCZRATVITGY-OKILXGFUSA-N 0 1 501.432 4.930 50 0 KJAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000013557387 553471301 /nfs/dbraw/zinc/47/13/01/553471301.db2.gz SQLALHZTJALFDD-BAAZAXTHSA-N 0 1 512.009 4.971 50 0 KJAAMN O=C(N/C(=C\c1c[nH]c2ccccc12)C(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1)c1ccccc1 ZINC000013579621 553475504 /nfs/dbraw/zinc/47/55/04/553475504.db2.gz NSWFRSBMSPLKDU-MQROPUAKSA-N 0 1 504.634 4.641 50 0 KJAAMN O=C(N/C(=C\c1c[nH]c2ccccc12)C(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1)c1ccccc1 ZINC000013579623 553475576 /nfs/dbraw/zinc/47/55/76/553475576.db2.gz NSWFRSBMSPLKDU-RIPCIUMVSA-N 0 1 504.634 4.641 50 0 KJAAMN Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013606848 553477423 /nfs/dbraw/zinc/47/74/23/553477423.db2.gz KVNIQVWQYQAFPW-UHFFFAOYSA-N 0 1 502.998 4.937 50 0 KJAAMN CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(c3ccc(C)c(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000013813841 553492683 /nfs/dbraw/zinc/49/26/83/553492683.db2.gz QEBRGKUXJSEWSI-BJKAILTGSA-N 0 1 521.617 4.717 50 0 KJAAMN CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(c3cc(C)cc(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000013814473 553492689 /nfs/dbraw/zinc/49/26/89/553492689.db2.gz SFJVDJKWVJXRMO-BJKAILTGSA-N 0 1 521.617 4.717 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2C)ccc1N1CCCCC1 ZINC000014360060 553513805 /nfs/dbraw/zinc/51/38/05/553513805.db2.gz OQJAIMGGLZALBA-UHFFFAOYSA-N 0 1 529.684 4.904 50 0 KJAAMN CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1nc3ccccc3s1)CC2 ZINC000014543639 553518809 /nfs/dbraw/zinc/51/88/09/553518809.db2.gz NLZVNEMYTUKEPM-UHFFFAOYSA-N 0 1 505.688 4.969 50 0 KJAAMN COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCN(Cc2nc4ccccc4s2)CC3)cc1 ZINC000014750407 553520584 /nfs/dbraw/zinc/52/05/84/553520584.db2.gz PENOVHFBIAZANC-UHFFFAOYSA-N 0 1 506.672 4.802 50 0 KJAAMN O=C1N(Cc2cccnc2)C(=O)C2(CCN(Cc3nc4ccccc4s3)CC2)N1CCc1ccccc1 ZINC000014750829 553520531 /nfs/dbraw/zinc/52/05/31/553520531.db2.gz RMZISBHTOGZHEE-UHFFFAOYSA-N 0 1 511.651 4.733 50 0 KJAAMN C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000014943694 553521711 /nfs/dbraw/zinc/52/17/11/553521711.db2.gz BSLNTCMTDKFTLK-HLFSLLAWSA-N 0 1 506.389 4.533 50 0 KJAAMN COc1cc(CNC(=O)COc2ccc(-c3nc4ccccc4s3)cc2CN(C)C)cc(OC)c1OC ZINC000014964421 553522585 /nfs/dbraw/zinc/52/25/85/553522585.db2.gz SZPLQAVODOCQIU-UHFFFAOYSA-N 0 1 521.639 4.746 50 0 KJAAMN COc1ccc(S(=O)(=O)N2CCC(Oc3cccc(CN(C)Cc4ccsc4)c3)CC2)cc1OC ZINC000014974716 1066495358 /nfs/dbraw/zinc/49/53/58/1066495358.db2.gz JDCJESILZHNNAI-UHFFFAOYSA-N 0 1 516.685 4.629 50 0 KJAAMN Cc1nn(C)c(C)c1CNC(=O)COc1ccc(-c2ccsc2)cc1CN1CCN(c2ccccc2)CC1 ZINC000014980501 553523229 /nfs/dbraw/zinc/52/32/29/553523229.db2.gz POJYVIACNCQNMC-UHFFFAOYSA-N 0 1 529.710 4.783 50 0 KJAAMN Cc1ccccc1CSc1nnc(CCNS(=O)(=O)c2c(F)cccc2F)n1-c1ccc(F)cc1 ZINC000014986145 553523632 /nfs/dbraw/zinc/52/36/32/553523632.db2.gz OGRUUXMMPKKZMJ-UHFFFAOYSA-N 0 1 518.586 4.806 50 0 KJAAMN CN(Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC2)c1 ZINC000014995799 1067160592 /nfs/dbraw/zinc/16/05/92/1067160592.db2.gz KYBOQGSCJOYPOS-UHFFFAOYSA-N 0 1 504.656 4.593 50 0 KJAAMN CN(Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)Cc3ccc(N4CCNC4=O)cc3)CC2)c1 ZINC000014996178 1066496089 /nfs/dbraw/zinc/49/60/89/1066496089.db2.gz PAGJNPVCWWTWET-UHFFFAOYSA-N 0 1 518.683 4.522 50 0 KJAAMN COc1cc(C[C@@H](C)N2CCN(c3cccc4c3C(=O)N(Cc3ccccc3Cl)C4=O)CC2)ccc1O ZINC000015000197 1067161520 /nfs/dbraw/zinc/16/15/20/1067161520.db2.gz SUVMWSCLPWADKE-LJQANCHMSA-N 0 1 520.029 4.604 50 0 KJAAMN COc1cc(C[C@H](C)N2CCN(c3cccc4c3C(=O)N(Cc3ccccc3Cl)C4=O)CC2)ccc1O ZINC000015000200 1067161480 /nfs/dbraw/zinc/16/14/80/1067161480.db2.gz SUVMWSCLPWADKE-IBGZPJMESA-N 0 1 520.029 4.604 50 0 KJAAMN COc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccco4)n[nH]3)n2-c2ccc(C(C)=O)cc2)cc1 ZINC000015021926 553526870 /nfs/dbraw/zinc/52/68/70/553526870.db2.gz ISMWVWSDGBYIQR-UHFFFAOYSA-N 0 1 514.567 4.859 50 0 KJAAMN CC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21 ZINC000015306550 553531385 /nfs/dbraw/zinc/53/13/85/553531385.db2.gz USOOSUCQAHQJJY-YCYTWPSCSA-N 0 1 501.586 4.770 50 0 KJAAMN C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21 ZINC000015320414 553531897 /nfs/dbraw/zinc/53/18/97/553531897.db2.gz SIZOWOMSYOWCDN-LETPREFUSA-N 0 1 505.549 4.519 50 0 KJAAMN COC(=O)CSc1ccc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000015686311 553534457 /nfs/dbraw/zinc/53/44/57/553534457.db2.gz CEPPMJUAEJDPKE-MRXNPFEDSA-N 0 1 503.256 4.995 50 0 KJAAMN CCOc1ccc2nc(SCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)[nH]c2c1 ZINC000015911253 553541065 /nfs/dbraw/zinc/54/10/65/553541065.db2.gz HYJYMUBNCUNYIZ-UHFFFAOYSA-N 0 1 509.053 4.520 50 0 KJAAMN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)cc(I)c1OC ZINC000015947056 553545137 /nfs/dbraw/zinc/54/51/37/553545137.db2.gz RHNNDCFNTCRUEL-SFHVURJKSA-N 0 1 513.401 4.565 50 0 KJAAMN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)cc(I)c1OC ZINC000015947058 553545178 /nfs/dbraw/zinc/54/51/78/553545178.db2.gz RHNNDCFNTCRUEL-GOSISDBHSA-N 0 1 513.401 4.565 50 0 KJAAMN COc1ccc(NC(=O)CN(CCc2ccccc2)CCc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000015981101 553548898 /nfs/dbraw/zinc/54/88/98/553548898.db2.gz HRNREHZELHROSW-UHFFFAOYSA-N 0 1 535.710 4.596 50 0 KJAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2ccc(Cl)cc2C)c1 ZINC000016283115 553558407 /nfs/dbraw/zinc/55/84/07/553558407.db2.gz AZUJSVVRZBVEMM-UHFFFAOYSA-N 0 1 508.018 4.775 50 0 KJAAMN CCOc1ccc(C[C@@]2(CCc3ccncc3)C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000016293477 553559429 /nfs/dbraw/zinc/55/94/29/553559429.db2.gz APTFRUOFPNBYBD-SANMLTNESA-N 0 1 522.399 4.688 50 0 KJAAMN CCOc1ccc(C[C@]2(CCc3ccncc3)C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000016293479 553559399 /nfs/dbraw/zinc/55/93/99/553559399.db2.gz APTFRUOFPNBYBD-AREMUKBSSA-N 0 1 522.399 4.688 50 0 KJAAMN Cc1cccc(-n2c3c(c(=O)[nH]c2=S)[C@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(=O)N3)c1 ZINC000016448644 553565129 /nfs/dbraw/zinc/56/51/29/553565129.db2.gz ILBWZHAMVNMQBX-XMMPIXPASA-N 0 1 516.545 4.641 50 0 KJAAMN Cc1cccc(-n2c3c(c(=O)[nH]c2=S)[C@@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(=O)N3)c1 ZINC000016448646 553565165 /nfs/dbraw/zinc/56/51/65/553565165.db2.gz ILBWZHAMVNMQBX-DEOSSOPVSA-N 0 1 516.545 4.641 50 0 KJAAMN COc1ccc(-n2[nH]c(Cc3ccc(F)cc3)c(C=C3NC(=O)N(Cc4ccc(F)cc4)C3=O)c2=O)cc1 ZINC000016534110 553567582 /nfs/dbraw/zinc/56/75/82/553567582.db2.gz QQKXFAFHZVSCFU-MYYYXRDXSA-N 0 1 516.504 4.548 50 0 KJAAMN COc1ccc(-n2[nH]c(Cc3ccc(F)cc3)c(C=C3NC(=O)N(Cc4cccc(C)c4)C3=O)c2=O)cc1 ZINC000016534134 553567572 /nfs/dbraw/zinc/56/75/72/553567572.db2.gz DTFHNGAFAHFKRF-QQXSKIMKSA-N 0 1 512.541 4.718 50 0 KJAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(Br)o2)c1 ZINC000016687785 553572679 /nfs/dbraw/zinc/57/26/79/553572679.db2.gz CSNRLWBHQZUWKU-UHFFFAOYSA-N 0 1 512.404 4.793 50 0 KJAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(N(C)C)n2)cc1 ZINC000017315611 553593365 /nfs/dbraw/zinc/59/33/65/553593365.db2.gz BTEPRFFLSMPQOZ-UHFFFAOYSA-N 0 1 506.426 4.557 50 0 KJAAMN Cc1ccc(C)c(N2CCN(C(=O)c3ccc(Cn4c(=O)c5cc(N6CCOCC6)ccc5[nH]c4=S)cc3)CC2)c1 ZINC000017337610 553593691 /nfs/dbraw/zinc/59/36/91/553593691.db2.gz QLKQEXCDZHXQOC-UHFFFAOYSA-N 0 1 569.731 4.523 50 0 KJAAMN COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000017574746 553597979 /nfs/dbraw/zinc/59/79/79/553597979.db2.gz ZYNZNTKCEYNUNF-UHFFFAOYSA-N 0 1 548.440 4.555 50 0 KJAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000017836007 553600016 /nfs/dbraw/zinc/60/00/16/553600016.db2.gz XBBIEGFKVNGMRY-XPNTWCBSSA-N 0 1 509.356 4.523 50 0 KJAAMN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000017991010 553601024 /nfs/dbraw/zinc/60/10/24/553601024.db2.gz HWJJTOQXICMKRM-PFBJBMPXSA-N 0 1 502.567 4.934 50 0 KJAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000017991010 553601019 /nfs/dbraw/zinc/60/10/19/553601019.db2.gz HWJJTOQXICMKRM-PFBJBMPXSA-N 0 1 502.567 4.934 50 0 KJAAMN COc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000018038130 553601837 /nfs/dbraw/zinc/60/18/37/553601837.db2.gz GLCNHWBHNNLGNE-IARZGTGTSA-N 0 1 520.541 4.966 50 0 KJAAMN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000018042078 553602230 /nfs/dbraw/zinc/60/22/30/553602230.db2.gz IFYYYSKSSMBLCP-PFBJBMPXSA-N 0 1 502.567 4.934 50 0 KJAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000018042078 553602227 /nfs/dbraw/zinc/60/22/27/553602227.db2.gz IFYYYSKSSMBLCP-PFBJBMPXSA-N 0 1 502.567 4.934 50 0 KJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000018054735 553602214 /nfs/dbraw/zinc/60/22/14/553602214.db2.gz DPSCPAUNQJIQFK-ZRBLBEILSA-N 0 1 509.356 4.517 50 0 KJAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000018118315 553604954 /nfs/dbraw/zinc/60/49/54/553604954.db2.gz XITPCMNFQGWLBM-VJGNERBWSA-N 0 1 502.567 4.934 50 0 KJAAMN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000018165181 553606865 /nfs/dbraw/zinc/60/68/65/553606865.db2.gz YDNHMQNYNWAOBK-PFBJBMPXSA-N 0 1 502.567 4.934 50 0 KJAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(OC)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000018165181 553606863 /nfs/dbraw/zinc/60/68/63/553606863.db2.gz YDNHMQNYNWAOBK-PFBJBMPXSA-N 0 1 502.567 4.934 50 0 KJAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(OCC)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000018165964 553606859 /nfs/dbraw/zinc/60/68/59/553606859.db2.gz YRKQSZPBURBSRY-VJGNERBWSA-N 0 1 502.567 4.934 50 0 KJAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(OCC)c4)c(O)c3ON2c2ccccc2)cc1OC ZINC000018165964 553606858 /nfs/dbraw/zinc/60/68/58/553606858.db2.gz YRKQSZPBURBSRY-VJGNERBWSA-N 0 1 502.567 4.934 50 0 KJAAMN CCOc1ccccc1N1CCN(Cc2cc3ccc(F)cc3n(Cc3cccc(OC)c3)c2=O)CC1 ZINC000019743048 553615662 /nfs/dbraw/zinc/61/56/62/553615662.db2.gz FBKVOOKQTDRQCQ-UHFFFAOYSA-N 0 1 501.602 4.918 50 0 KJAAMN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(CCc1ccccc1)C3 ZINC000019798762 553617205 /nfs/dbraw/zinc/61/72/05/553617205.db2.gz QSCYUBCDFRZJSG-UHFFFAOYSA-N 0 1 505.665 4.703 50 0 KJAAMN O=C1C[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000019809352 553618170 /nfs/dbraw/zinc/61/81/70/553618170.db2.gz VWXKOQMSGFDBGP-DEOSSOPVSA-N 0 1 509.528 4.624 50 0 KJAAMN O=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1 ZINC000019831059 553622712 /nfs/dbraw/zinc/62/27/12/553622712.db2.gz ZCOYZJBHUDMCSE-XMMPIXPASA-N 0 1 525.983 4.894 50 0 KJAAMN O=C(CC12CC3CC(CC(C3)C1)C2)NCCCN1CCN(CCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000019840599 553623234 /nfs/dbraw/zinc/62/32/34/553623234.db2.gz OXRDTWSPNGPTJE-UHFFFAOYSA-N 0 1 552.848 4.830 50 0 KJAAMN CC(C)(C)c1ccc(C(=O)NCCCN2CCN(CCCNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000019850946 553623858 /nfs/dbraw/zinc/62/38/58/553623858.db2.gz WTTJSZMHLRCCHR-UHFFFAOYSA-N 0 1 520.762 4.839 50 0 KJAAMN CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Br)cc4)=NCCN3)[C@@H]2c2cccnc2)cc1 ZINC000019874920 553629074 /nfs/dbraw/zinc/62/90/74/553629074.db2.gz NYTYUUHSJRCHAR-VWLOTQADSA-N 0 1 503.400 4.677 50 0 KJAAMN CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Br)cc4)=NCCN3)[C@H]2c2cccnc2)cc1 ZINC000019874922 553629280 /nfs/dbraw/zinc/62/92/80/553629280.db2.gz NYTYUUHSJRCHAR-RUZDIDTESA-N 0 1 503.400 4.677 50 0 KJAAMN COc1ccc(Cl)cc1Nc1nc(N)nc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019899217 553632538 /nfs/dbraw/zinc/63/25/38/553632538.db2.gz BKDYSNWSLKDMIG-UHFFFAOYSA-N 0 1 516.049 4.767 50 0 KJAAMN Cc1cc(C)cc(Oc2coc3cc(OC[C@@H](O)CN4CCN(Cc5ccccc5)CC4)ccc3c2=O)c1 ZINC000019912302 553633529 /nfs/dbraw/zinc/63/35/29/553633529.db2.gz UWQWNFXKMIUMEX-VWLOTQADSA-N 0 1 514.622 4.760 50 0 KJAAMN Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)CN4CCN(Cc5ccccc5)CC4)ccc3c2=O)c1 ZINC000019912306 553633456 /nfs/dbraw/zinc/63/34/56/553633456.db2.gz UWQWNFXKMIUMEX-RUZDIDTESA-N 0 1 514.622 4.760 50 0 KJAAMN CCCN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020109097 553692040 /nfs/dbraw/zinc/69/20/40/553692040.db2.gz RLPCLGIBXXZFTF-URLMMPGGSA-N 0 1 515.629 4.869 50 0 KJAAMN CCCN1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020109099 553692014 /nfs/dbraw/zinc/69/20/14/553692014.db2.gz RLPCLGIBXXZFTF-FQLXRVMXSA-N 0 1 515.629 4.869 50 0 KJAAMN CCCN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020109101 553691947 /nfs/dbraw/zinc/69/19/47/553691947.db2.gz RLPCLGIBXXZFTF-VMPREFPWSA-N 0 1 515.629 4.869 50 0 KJAAMN CCCN1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020109103 553691942 /nfs/dbraw/zinc/69/19/42/553691942.db2.gz RLPCLGIBXXZFTF-WDYNHAJCSA-N 0 1 515.629 4.869 50 0 KJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(Cc4ccc(C(=O)NCc5ccccc5OC)cc4)c3=O)c2c1 ZINC000020131604 553591715 /nfs/dbraw/zinc/59/17/15/553591715.db2.gz CDKDGGJXYYJVCY-UHFFFAOYSA-N 0 1 500.580 4.536 50 0 KJAAMN Cc1cc(Br)ccc1NC(=O)CCC(=O)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1 ZINC000020136078 553593966 /nfs/dbraw/zinc/59/39/66/553593966.db2.gz OHIBYMBLQOCZNB-UHFFFAOYSA-N 0 1 524.463 4.723 50 0 KJAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)Nc4ccc(OC)c(Cl)c4)ccc3n2)CC1 ZINC000020136344 553593801 /nfs/dbraw/zinc/59/38/01/553593801.db2.gz IDMBICKIGLQUBY-UHFFFAOYSA-N 0 1 510.038 4.705 50 0 KJAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)N4CCC(Cc5ccccc5)CC4)ccc3n2)CC1 ZINC000020136412 553593791 /nfs/dbraw/zinc/59/37/91/553593791.db2.gz JNAVVLSQMQPPOP-UHFFFAOYSA-N 0 1 527.713 4.885 50 0 KJAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)N4CCN(c5cccc(Cl)c5)CC4)ccc3n2)CC1 ZINC000020153510 553598297 /nfs/dbraw/zinc/59/82/97/553598297.db2.gz SBAFLJSYILGBRN-UHFFFAOYSA-N 0 1 509.123 4.858 50 0 KJAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)N4CCN(c5cccc(C)c5)[C@@H](C)C4)ccc3n2)CC1 ZINC000020153629 553598239 /nfs/dbraw/zinc/59/82/39/553598239.db2.gz MWQNBEKYCRBDPN-QHCPKHFHSA-N 0 1 502.732 4.901 50 0 KJAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)N4CCN(c5cccc(C)c5)[C@H](C)C4)ccc3n2)CC1 ZINC000020153631 553598347 /nfs/dbraw/zinc/59/83/47/553598347.db2.gz MWQNBEKYCRBDPN-HSZRJFAPSA-N 0 1 502.732 4.901 50 0 KJAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)N4CCN(c5cc(C)ccc5C)CC4)ccc3n2)CC1 ZINC000020153637 553598283 /nfs/dbraw/zinc/59/82/83/553598283.db2.gz JFSMFEOBPCOVOJ-UHFFFAOYSA-N 0 1 502.732 4.821 50 0 KJAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)NCc4cc(Br)ccc4OC)ccc3n2)CC1 ZINC000020153656 553598328 /nfs/dbraw/zinc/59/83/28/553598328.db2.gz KVAMVVMKRFGHIJ-UHFFFAOYSA-N 0 1 528.520 4.943 50 0 KJAAMN CCOc1ccc(CCNC(=S)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1OCC ZINC000020153811 553598275 /nfs/dbraw/zinc/59/82/75/553598275.db2.gz HISINWPIEKKBQO-UHFFFAOYSA-N 0 1 507.704 4.622 50 0 KJAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc12 ZINC000020153822 553598316 /nfs/dbraw/zinc/59/83/16/553598316.db2.gz OQZDUMOQLIHZSG-UHFFFAOYSA-N 0 1 528.648 4.833 50 0 KJAAMN Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)CC1 ZINC000020153825 553598332 /nfs/dbraw/zinc/59/83/32/553598332.db2.gz JXZBPHLPNXIQRC-UHFFFAOYSA-N 0 1 509.123 4.776 50 0 KJAAMN COc1ccc(Br)cc1CNC(=S)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1 ZINC000020153863 553598644 /nfs/dbraw/zinc/59/86/44/553598644.db2.gz UYLIZFMMEUSATJ-UHFFFAOYSA-N 0 1 514.493 4.553 50 0 KJAAMN Cc1cc(N2CCCC2)nc2ccc(NC(=S)NCCCN3CCN(c4ccc(F)cc4)CC3)cc12 ZINC000020183145 553604888 /nfs/dbraw/zinc/60/48/88/553604888.db2.gz WDQZCZGSXJORCA-UHFFFAOYSA-N 0 1 506.695 4.781 50 0 KJAAMN O=C(NCCc1ccccc1F)[C@@H]1C[C@H](NCc2c(F)cccc2F)CN1Cc1cccc(Cl)c1 ZINC000020211626 553611206 /nfs/dbraw/zinc/61/12/06/553611206.db2.gz QWMOZXYJMUEOEV-LVXARBLLSA-N 0 1 501.980 4.849 50 0 KJAAMN COc1cc2c(cc1NC(=S)Nc1ccc(S(=O)(=O)Nc3ncccn3)cc1)oc1ccccc12 ZINC000020228803 553616733 /nfs/dbraw/zinc/61/67/33/553616733.db2.gz UIMZEBCUHMSTBO-UHFFFAOYSA-N 0 1 505.581 4.994 50 0 KJAAMN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCCN1CCN(Cc2ccccc2)CC1 ZINC000020239274 553624811 /nfs/dbraw/zinc/62/48/11/553624811.db2.gz ULGODYIPYHOCPC-UHFFFAOYSA-N 0 1 509.119 4.793 50 0 KJAAMN CSc1ccc(-c2nc(CSCC(=O)NCCN3CCN(Cc4ccccc4)CC3)c(C)o2)cc1 ZINC000020241241 553626789 /nfs/dbraw/zinc/62/67/89/553626789.db2.gz ISFMAIKQJUGLJN-UHFFFAOYSA-N 0 1 510.729 4.539 50 0 KJAAMN CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242296 553627083 /nfs/dbraw/zinc/62/70/83/553627083.db2.gz JDVIFCPDWXJKKX-BUFIKQNTSA-N 0 1 522.070 4.881 50 0 KJAAMN CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242298 553627024 /nfs/dbraw/zinc/62/70/24/553627024.db2.gz JDVIFCPDWXJKKX-OBAIXPRGSA-N 0 1 522.070 4.881 50 0 KJAAMN O=C(NCCN1CCCCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O ZINC000020242596 553627533 /nfs/dbraw/zinc/62/75/33/553627533.db2.gz NXJODYQDMSJBHJ-QNGWXLTQSA-N 0 1 519.642 4.759 50 0 KJAAMN O=C(NCCN1CCCCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242598 553627568 /nfs/dbraw/zinc/62/75/68/553627568.db2.gz NXJODYQDMSJBHJ-DIPNUNPCSA-N 0 1 519.642 4.759 50 0 KJAAMN COC(=O)/C=C/c1cc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2Cl)ccc1OC ZINC000020258386 553629431 /nfs/dbraw/zinc/62/94/31/553629431.db2.gz RSJIHRGHRMOZNW-SDNWHVSQSA-N 0 1 500.960 4.588 50 0 KJAAMN COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5ccc(OC)c6ccccc56)CC4)c3C2=O)cc1 ZINC000020271402 553630708 /nfs/dbraw/zinc/63/07/08/553630708.db2.gz OBVPYZRDYHSLML-UHFFFAOYSA-N 0 1 521.617 4.975 50 0 KJAAMN CCOc1ccccc1-n1c(=O)c([C@H]2[NH2+]CCc3ccccc32)c([O-])nc1SCC(=O)c1ccc(C)cc1 ZINC000020289793 553634927 /nfs/dbraw/zinc/63/49/27/553634927.db2.gz SNQWHZVVKFZGKW-MHZLTWQESA-N 0 1 527.646 4.855 50 0 KJAAMN Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCN4CCN(Cc5ccccc5)CC4)cc3NC2=O)cc1 ZINC000020355350 553641422 /nfs/dbraw/zinc/64/14/22/553641422.db2.gz YHDIZICZNRIFKH-TURZUDJPSA-N 0 1 512.679 4.628 50 0 KJAAMN COc1ccc(-c2nn(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=S)n2C)cc1OC ZINC000020427545 553647986 /nfs/dbraw/zinc/64/79/86/553647986.db2.gz KFMNVDYWNPTLES-UHFFFAOYSA-N 0 1 515.683 5.000 50 0 KJAAMN O=C(NCC1CCN(Cc2cccc(Cl)c2)CC1)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531281 553669870 /nfs/dbraw/zinc/66/98/70/553669870.db2.gz CONFMOZWQDHYJS-MUUNZHRXSA-N 0 1 502.058 4.936 50 0 KJAAMN O=C(NCC1CCN(Cc2cccc(Cl)c2)CC1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531282 553670017 /nfs/dbraw/zinc/67/00/17/553670017.db2.gz CONFMOZWQDHYJS-NDEPHWFRSA-N 0 1 502.058 4.936 50 0 KJAAMN Cc1ccc(N2CC[NH+](CCc3nc4cc([N-]S(=O)(=O)c5ccc(Cl)cc5)ccc4n3C)CC2)cc1 ZINC000020533426 553670705 /nfs/dbraw/zinc/67/07/05/553670705.db2.gz KGOREJQEDRVSHM-UHFFFAOYSA-N 0 1 524.090 4.701 50 0 KJAAMN C[N@@H+](CCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O)Cc1ccccc1 ZINC000020644066 553683793 /nfs/dbraw/zinc/68/37/93/553683793.db2.gz JTMRKLOTJUIIGB-UHFFFAOYSA-N 0 1 507.059 4.639 50 0 KJAAMN O=C(CCCCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)N1CCN(c2ccccc2)CC1 ZINC000020644220 553684091 /nfs/dbraw/zinc/68/40/91/553684091.db2.gz RCZJKCFXLMGRKS-UHFFFAOYSA-N 0 1 515.477 4.731 50 0 KJAAMN O=C(CN1C(=O)/C(=C/c2ccccc2)Sc2ccccc21)NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000020726622 553690401 /nfs/dbraw/zinc/69/04/01/553690401.db2.gz YCKWZABGRYAWBN-HFTWOUSFSA-N 0 1 530.669 4.634 50 0 KJAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728931 553691234 /nfs/dbraw/zinc/69/12/34/553691234.db2.gz DPLMFLOSKNTLPO-NHFJDJAPSA-N 0 1 516.642 4.853 50 0 KJAAMN CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000020735712 553693544 /nfs/dbraw/zinc/69/35/44/553693544.db2.gz KNIDSWRBTSFLPK-BUFIKQNTSA-N 0 1 522.070 4.881 50 0 KJAAMN CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000020735717 553693558 /nfs/dbraw/zinc/69/35/58/553693558.db2.gz KNIDSWRBTSFLPK-OBAIXPRGSA-N 0 1 522.070 4.881 50 0 KJAAMN Cc1c(Cl)cccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(=O)[nH]1 ZINC000020861039 553700469 /nfs/dbraw/zinc/70/04/69/553700469.db2.gz BBACRMXSPIILBH-UHFFFAOYSA-N 0 1 506.049 4.593 50 0 KJAAMN COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5c(OC)ccc6ccccc65)CC4)c3C2=O)cc1 ZINC000020906835 553703482 /nfs/dbraw/zinc/70/34/82/553703482.db2.gz VAIYWPYJVJAJPT-UHFFFAOYSA-N 0 1 521.617 4.975 50 0 KJAAMN CN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000020917754 553703836 /nfs/dbraw/zinc/70/38/36/553703836.db2.gz LWEPOEXDPLCCRB-UHFFFAOYSA-N 0 1 515.551 4.954 50 0 KJAAMN COc1ccccc1N1CCN(CCCN[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)CC1 ZINC000020988758 553705368 /nfs/dbraw/zinc/70/53/68/553705368.db2.gz ALHKMPHIIXLELX-HHHXNRCGSA-N 0 1 501.606 4.776 50 0 KJAAMN COc1ccccc1N1CCN(CCCN[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)CC1 ZINC000020988761 553705418 /nfs/dbraw/zinc/70/54/18/553705418.db2.gz ALHKMPHIIXLELX-MHZLTWQESA-N 0 1 501.606 4.776 50 0 KJAAMN Cc1ccc(N2C(=O)C[C@@H](N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)c(Br)c1 ZINC000022790069 553750299 /nfs/dbraw/zinc/75/02/99/553750299.db2.gz HJDHUGAQFNZGOY-RUZDIDTESA-N 0 1 518.455 4.797 50 0 KJAAMN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022918541 553766844 /nfs/dbraw/zinc/76/68/44/553766844.db2.gz WUMZIZZVYAPIHK-UHFFFAOYSA-N 0 1 517.029 4.954 50 0 KJAAMN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022920734 553767140 /nfs/dbraw/zinc/76/71/40/553767140.db2.gz LXMKLZPLLGHRAG-UHFFFAOYSA-N 0 1 519.667 4.782 50 0 KJAAMN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000022930055 553767700 /nfs/dbraw/zinc/76/77/00/553767700.db2.gz YPJXHMLVZYAVDM-UHFFFAOYSA-N 0 1 524.621 4.679 50 0 KJAAMN COc1ccccc1[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1)N1CCCC1 ZINC000023079049 553769869 /nfs/dbraw/zinc/76/98/69/553769869.db2.gz FRNUVKBVOALBDF-RUZDIDTESA-N 0 1 511.619 4.510 50 0 KJAAMN COc1ccccc1[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1)[NH+]1CCCC1 ZINC000023079049 553769868 /nfs/dbraw/zinc/76/98/68/553769868.db2.gz FRNUVKBVOALBDF-RUZDIDTESA-N 0 1 511.619 4.510 50 0 KJAAMN COc1ccccc1[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1)N1CCCC1 ZINC000023079051 553769909 /nfs/dbraw/zinc/76/99/09/553769909.db2.gz FRNUVKBVOALBDF-VWLOTQADSA-N 0 1 511.619 4.510 50 0 KJAAMN COc1ccccc1[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1)[NH+]1CCCC1 ZINC000023079051 553769908 /nfs/dbraw/zinc/76/99/08/553769908.db2.gz FRNUVKBVOALBDF-VWLOTQADSA-N 0 1 511.619 4.510 50 0 KJAAMN C[C@@H](NC(=O)c1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O)c1cccs1 ZINC000023158450 553771354 /nfs/dbraw/zinc/77/13/54/553771354.db2.gz FGPBRUQJDUIXJD-JOCHJYFZSA-N 0 1 512.679 4.835 50 0 KJAAMN C[C@H](NC(=O)c1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O)c1cccs1 ZINC000023158452 553771295 /nfs/dbraw/zinc/77/12/95/553771295.db2.gz FGPBRUQJDUIXJD-QFIPXVFZSA-N 0 1 512.679 4.835 50 0 KJAAMN CN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000023362331 553774824 /nfs/dbraw/zinc/77/48/24/553774824.db2.gz NBSOJOOWJFGPOR-UHFFFAOYSA-N 0 1 515.551 4.954 50 0 KJAAMN CCOc1ccccc1N1CCN(Cc2cc3cc4c(cc3n(Cc3cccc(F)c3)c2=O)OCO4)CC1 ZINC000023367044 553774743 /nfs/dbraw/zinc/77/47/43/553774743.db2.gz RVXFOFZJRSVLJV-UHFFFAOYSA-N 0 1 515.585 4.639 50 0 KJAAMN CCOc1cccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000024193201 553790479 /nfs/dbraw/zinc/79/04/79/553790479.db2.gz BVDSUNAVQUMZDQ-FQEVSTJZSA-N 0 1 512.609 4.693 50 0 KJAAMN CCOc1cccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000024193202 553790592 /nfs/dbraw/zinc/79/05/92/553790592.db2.gz BVDSUNAVQUMZDQ-HXUWFJFHSA-N 0 1 512.609 4.693 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2n[nH]c3ccccc32)ccc1N1CCCCC1 ZINC000024991681 553792822 /nfs/dbraw/zinc/79/28/22/553792822.db2.gz ZPZDSUBQAYUAFJ-UHFFFAOYSA-N 0 1 505.600 4.615 50 0 KJAAMN CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccccc4N4CCN(Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000025184968 553806091 /nfs/dbraw/zinc/80/60/91/553806091.db2.gz JBJYBMJNDUNNLP-GRKNLSHJSA-N 0 1 508.622 4.519 50 0 KJAAMN CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4ccccc4N4CCN(Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000025184975 553806027 /nfs/dbraw/zinc/80/60/27/553806027.db2.gz JBJYBMJNDUNNLP-MVSFAKPFSA-N 0 1 508.622 4.519 50 0 KJAAMN COCCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 ZINC000027020771 553823970 /nfs/dbraw/zinc/82/39/70/553823970.db2.gz PRAWBHTWDWKXLI-HHHXNRCGSA-N 0 1 518.614 4.782 50 0 KJAAMN COCCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 ZINC000027020777 553824054 /nfs/dbraw/zinc/82/40/54/553824054.db2.gz PRAWBHTWDWKXLI-MHZLTWQESA-N 0 1 518.614 4.782 50 0 KJAAMN C[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)cc(Br)c3[O-])cc2Cl)CC1 ZINC000027439827 553825564 /nfs/dbraw/zinc/82/55/64/553825564.db2.gz NQWAJGLKKLIWQQ-UHFFFAOYSA-N 0 1 503.622 4.575 50 0 KJAAMN Cc1cc(Br)ccc1S(=O)(=O)Nc1cc2c(cc1Sc1ccccc1)n(C)c(=O)n2C ZINC000028049139 553837403 /nfs/dbraw/zinc/83/74/03/553837403.db2.gz WMMAKMHYLSLQNW-UHFFFAOYSA-N 0 1 518.458 4.900 50 0 KJAAMN Cn1c2cc(NS(=O)(=O)c3ccc(Br)cc3)c(Sc3ccccc3)cc2n(C)c1=O ZINC000028049142 553837463 /nfs/dbraw/zinc/83/74/63/553837463.db2.gz MPYFHKFRCOMUCI-UHFFFAOYSA-N 0 1 504.431 4.592 50 0 KJAAMN Cn1c2cc(NS(=O)(=O)c3ccc(Br)cc3)c(SC3CCCCC3)cc2n(C)c1=O ZINC000028049223 553837365 /nfs/dbraw/zinc/83/73/65/553837365.db2.gz OGBGVJAYFJTMQS-UHFFFAOYSA-N 0 1 510.479 4.865 50 0 KJAAMN O=S1(=O)N[C@@]2(CN1CC(F)(F)F)[C@@H]1CC[C@H]2Cc2ccc(/C=C/CN3CCC(C(F)(F)F)CC3)cc2C1 ZINC000028526589 553842523 /nfs/dbraw/zinc/84/25/23/553842523.db2.gz NKHUILHBYOOZDF-NCOIWELASA-N 0 1 551.597 4.550 50 0 KJAAMN CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@@H](O)CN3CCN(Cc4ccccc4)CC3)cc21 ZINC000028639398 553843322 /nfs/dbraw/zinc/84/33/22/553843322.db2.gz YYUUAXZMRDLMNI-NDEPHWFRSA-N 0 1 541.692 4.732 50 0 KJAAMN CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@H](O)CN3CCN(Cc4ccccc4)CC3)cc21 ZINC000028639401 553843284 /nfs/dbraw/zinc/84/32/84/553843284.db2.gz YYUUAXZMRDLMNI-MUUNZHRXSA-N 0 1 541.692 4.732 50 0 KJAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 ZINC000029749064 553851029 /nfs/dbraw/zinc/85/10/29/553851029.db2.gz DZHLJYMOQCOYLT-CFRBSIFHSA-N 0 1 532.065 4.613 50 0 KJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)ccc4O)c3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000029749227 553851314 /nfs/dbraw/zinc/85/13/14/553851314.db2.gz HGFQYINWMWOKEB-LJAQVGFWSA-N 0 1 559.619 4.922 50 0 KJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)ccc4O)c3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000029749230 553851263 /nfs/dbraw/zinc/85/12/63/553851263.db2.gz HGFQYINWMWOKEB-GDLZYMKVSA-N 0 1 559.619 4.922 50 0 KJAAMN O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000029749726 553852482 /nfs/dbraw/zinc/85/24/82/553852482.db2.gz UDZSBOKAMCVXGV-UHFFFAOYSA-N 0 1 572.462 4.888 50 0 KJAAMN CCN(CCNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc(C(C)C)cc3)cc2c1=O)c1ccccc1 ZINC000029749774 553852800 /nfs/dbraw/zinc/85/28/00/553852800.db2.gz MSBOZMFHJVCLJF-UHFFFAOYSA-N 0 1 532.666 4.709 50 0 KJAAMN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752582 553853843 /nfs/dbraw/zinc/85/38/43/553853843.db2.gz HZCSRCVVKNMIKL-JHOUSYSJSA-N 0 1 600.735 4.788 50 0 KJAAMN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752584 553853805 /nfs/dbraw/zinc/85/38/05/553853805.db2.gz HZCSRCVVKNMIKL-LQJZCPKCSA-N 0 1 600.735 4.788 50 0 KJAAMN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752586 553853726 /nfs/dbraw/zinc/85/37/26/553853726.db2.gz HZCSRCVVKNMIKL-CZNDPXEESA-N 0 1 600.735 4.788 50 0 KJAAMN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752588 553853785 /nfs/dbraw/zinc/85/37/85/553853785.db2.gz HZCSRCVVKNMIKL-SAIUNTKASA-N 0 1 600.735 4.788 50 0 KJAAMN COc1ccc([C@@H](CNC(=O)[C@@H](CCSC)NC(=O)c2ccccc2Cl)N2CCCCC2)cc1 ZINC000032969121 553882799 /nfs/dbraw/zinc/88/27/99/553882799.db2.gz PRMCCKSXJPSNDZ-DNQXCXABSA-N 0 1 504.096 4.544 50 0 KJAAMN COc1ccc([C@H](CNC(=O)[C@@H](CCSC)NC(=O)c2ccccc2Cl)N2CCCCC2)cc1 ZINC000032969123 553882784 /nfs/dbraw/zinc/88/27/84/553882784.db2.gz PRMCCKSXJPSNDZ-RPWUZVMVSA-N 0 1 504.096 4.544 50 0 KJAAMN COc1ccc([C@@H](CNC(=O)[C@H](CCSC)NC(=O)c2ccccc2Cl)N2CCCCC2)cc1 ZINC000032969125 553882845 /nfs/dbraw/zinc/88/28/45/553882845.db2.gz PRMCCKSXJPSNDZ-BJKOFHAPSA-N 0 1 504.096 4.544 50 0 KJAAMN COc1ccc([C@H](CNC(=O)[C@H](CCSC)NC(=O)c2ccccc2Cl)N2CCCCC2)cc1 ZINC000032969127 553882806 /nfs/dbraw/zinc/88/28/06/553882806.db2.gz PRMCCKSXJPSNDZ-ZEQRLZLVSA-N 0 1 504.096 4.544 50 0 KJAAMN COc1ccc([C@@H](CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)[NH+]2CCCC2)cc1 ZINC000033023399 553888565 /nfs/dbraw/zinc/88/85/65/553888565.db2.gz IPLYZFWUNYFCAR-AREMUKBSSA-N 0 1 511.619 4.510 50 0 KJAAMN COc1ccc([C@H](CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)[NH+]2CCCC2)cc1 ZINC000033023401 553888576 /nfs/dbraw/zinc/88/85/76/553888576.db2.gz IPLYZFWUNYFCAR-SANMLTNESA-N 0 1 511.619 4.510 50 0 KJAAMN COc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)N2CCCC2)cc1 ZINC000033023409 553888886 /nfs/dbraw/zinc/88/88/86/553888886.db2.gz BZVJZFXUSUWMAO-HHHXNRCGSA-N 0 1 507.656 4.680 50 0 KJAAMN COc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)N2CCCC2)cc1 ZINC000033023412 553888862 /nfs/dbraw/zinc/88/88/62/553888862.db2.gz BZVJZFXUSUWMAO-MHZLTWQESA-N 0 1 507.656 4.680 50 0 KJAAMN COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)N2CCCCC2)cc1 ZINC000033026000 553890364 /nfs/dbraw/zinc/89/03/64/553890364.db2.gz KQMSJWDYXLDNDA-AREMUKBSSA-N 0 1 511.619 4.592 50 0 KJAAMN COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)N2CCCCC2)cc1 ZINC000033026003 553890372 /nfs/dbraw/zinc/89/03/72/553890372.db2.gz KQMSJWDYXLDNDA-SANMLTNESA-N 0 1 511.619 4.592 50 0 KJAAMN C[NH+](C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1)c1ccccc1 ZINC000033028928 553891414 /nfs/dbraw/zinc/89/14/14/553891414.db2.gz SHJKAJIHEPKBSJ-QFIPXVFZSA-N 0 1 505.612 4.835 50 0 KJAAMN C[NH+](C)[C@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1)c1ccccc1 ZINC000033028930 553891250 /nfs/dbraw/zinc/89/12/50/553891250.db2.gz SHJKAJIHEPKBSJ-JOCHJYFZSA-N 0 1 505.612 4.835 50 0 KJAAMN CCCCN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000033033226 553892198 /nfs/dbraw/zinc/89/21/98/553892198.db2.gz YSWPRYBUVIMCIX-UHFFFAOYSA-N 0 1 512.720 4.817 50 0 KJAAMN CC(C)CN(CC(C)C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000033033385 553892689 /nfs/dbraw/zinc/89/26/89/553892689.db2.gz GJXVFKYKQVQFPU-UHFFFAOYSA-N 0 1 514.736 4.775 50 0 KJAAMN CCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033619 553893037 /nfs/dbraw/zinc/89/30/37/553893037.db2.gz XYVBEUQVAIKLBY-UHFFFAOYSA-N 0 1 514.736 4.604 50 0 KJAAMN Cc1ccc2nc(CNC(=O)C3CCN(c4ccc(-c5ccc(Br)s5)nn4)CC3)[nH]c2c1 ZINC000033040471 553893569 /nfs/dbraw/zinc/89/35/69/553893569.db2.gz QLMIOBWFOVFEKJ-UHFFFAOYSA-N 0 1 511.449 4.685 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)c1 ZINC000033353525 553925637 /nfs/dbraw/zinc/92/56/37/553925637.db2.gz KAWDEICWGFTPSQ-QFIPXVFZSA-N 0 1 543.907 4.958 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)c1 ZINC000033353526 553925671 /nfs/dbraw/zinc/92/56/71/553925671.db2.gz KAWDEICWGFTPSQ-JOCHJYFZSA-N 0 1 543.907 4.958 50 0 KJAAMN Cn1c2nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000033356352 553940965 /nfs/dbraw/zinc/94/09/65/553940965.db2.gz MZQPLOUHACSJKU-UHFFFAOYSA-N 0 1 603.554 4.696 50 0 KJAAMN COc1ccc(-c2cc3nc(C)c(CCC(=O)NCCCN4CCN(c5cccc(Cl)c5)CC4)c(C)n3n2)c(OC)c1 ZINC000033356461 553941712 /nfs/dbraw/zinc/94/17/12/553941712.db2.gz WYQJMUQTEQDABU-UHFFFAOYSA-N 0 1 591.156 4.945 50 0 KJAAMN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000033357084 553946435 /nfs/dbraw/zinc/94/64/35/553946435.db2.gz FSEGCFHUYLDRBY-PMERELPUSA-N 0 1 617.841 4.956 50 0 KJAAMN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000033357086 553946410 /nfs/dbraw/zinc/94/64/10/553946410.db2.gz FSEGCFHUYLDRBY-SSEXGKCCSA-N 0 1 617.841 4.956 50 0 KJAAMN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000033357087 553946479 /nfs/dbraw/zinc/94/64/79/553946479.db2.gz ZWPJQDONAKWWCO-LJAQVGFWSA-N 0 1 636.218 4.896 50 0 KJAAMN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000033357089 553946383 /nfs/dbraw/zinc/94/63/83/553946383.db2.gz ZWPJQDONAKWWCO-GDLZYMKVSA-N 0 1 636.218 4.896 50 0 KJAAMN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCCC2)C(=O)c2ccccc2F)o1 ZINC000033367282 553957591 /nfs/dbraw/zinc/95/75/91/553957591.db2.gz CKYLYONKTLDFIC-UHFFFAOYSA-N 0 1 505.634 4.927 50 0 KJAAMN O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000033429091 553959714 /nfs/dbraw/zinc/95/97/14/553959714.db2.gz OPAXLTNMTZCRFY-KCWPFWIISA-N 0 1 521.404 4.719 50 0 KJAAMN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCCC2)C(=O)C2CCCC2)cc1OC ZINC000033498097 553961231 /nfs/dbraw/zinc/96/12/31/553961231.db2.gz FLHLWWSZCAGFEE-UHFFFAOYSA-N 0 1 539.717 4.681 50 0 KJAAMN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCCC2)C(=O)c2ccc(F)cc2)o1 ZINC000033567030 553962964 /nfs/dbraw/zinc/96/29/64/553962964.db2.gz BRNMMDYLXLZUFT-UHFFFAOYSA-N 0 1 505.634 4.927 50 0 KJAAMN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCCC2)C(=O)Cc2ccccc2)o1 ZINC000033586325 553963393 /nfs/dbraw/zinc/96/33/93/553963393.db2.gz SLOUFCCYPUDARZ-UHFFFAOYSA-N 0 1 501.671 4.717 50 0 KJAAMN COc1ccc(C(=O)N(CCN2CCCCC2)CC(=O)N(CCc2ccccc2)Cc2ccc(C)o2)cc1 ZINC000033658589 553966482 /nfs/dbraw/zinc/96/64/82/553966482.db2.gz XEUHEJILVZKCPB-UHFFFAOYSA-N 0 1 517.670 4.796 50 0 KJAAMN COc1ccc(C(=O)N(CCN2CCCC2)CC(=O)N(Cc2ccc(C)s2)Cc2ccc(F)cc2)cc1 ZINC000033667780 553967053 /nfs/dbraw/zinc/96/70/53/553967053.db2.gz ZKYDDEIUQMELMO-UHFFFAOYSA-N 0 1 523.674 4.971 50 0 KJAAMN Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CCN1CCCC1)C(=O)c1cccs1 ZINC000033697603 553968873 /nfs/dbraw/zinc/96/88/73/553968873.db2.gz NMJURBKNXYPFKE-UHFFFAOYSA-N 0 1 525.696 4.614 50 0 KJAAMN CCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(/C=C\c3ccc(OC)c(OC)c3)n2)cc1 ZINC000034387632 553981490 /nfs/dbraw/zinc/98/14/90/553981490.db2.gz ABYOVYKHAORECF-NTMALXAHSA-N 0 1 510.616 4.984 50 0 KJAAMN COc1ccc(CN2CCCN(c3ccc(NC(=O)c4ccccc4Cl)cn3)CC2)c(OC)c1OC ZINC000034681690 553985068 /nfs/dbraw/zinc/98/50/68/553985068.db2.gz ZQDJPKCPNLXLBR-UHFFFAOYSA-N 0 1 511.022 4.725 50 0 KJAAMN COc1cc(CN2CCCN(c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cn3)CC2)ccc1O ZINC000034681778 553985154 /nfs/dbraw/zinc/98/51/54/553985154.db2.gz RHGMLTAWEVEPIH-UHFFFAOYSA-N 0 1 500.521 4.779 50 0 KJAAMN COc1ccc(CN2CCCN(c3ccc(NC(=O)Nc4ccc(F)cc4F)cn3)CC2)c(OC)c1OC ZINC000034682108 553985702 /nfs/dbraw/zinc/98/57/02/553985702.db2.gz ONPLDCYUDXGIMT-UHFFFAOYSA-N 0 1 527.572 4.742 50 0 KJAAMN COc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1OC ZINC000034682836 553985666 /nfs/dbraw/zinc/98/56/66/553985666.db2.gz YKIATFILMXWNLY-UHFFFAOYSA-N 0 1 506.574 4.926 50 0 KJAAMN O=C(c1coc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1)N1CCN(Cc2ccccc2)CC1 ZINC000034684553 553986604 /nfs/dbraw/zinc/98/66/04/553986604.db2.gz GAYJJPWZDXQIED-UHFFFAOYSA-N 0 1 535.692 4.540 50 0 KJAAMN O=C(Nc1ccccc1F)[C@@H](CN(Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1)Oc1cccc(F)c1 ZINC000034708274 553994556 /nfs/dbraw/zinc/99/45/56/553994556.db2.gz CPCDVEWQORVTOI-WXVAWEFUSA-N 0 1 510.537 4.761 50 0 KJAAMN O=C(Nc1ccccc1F)[C@H](CN(Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1)Oc1cccc(F)c1 ZINC000034708275 553994600 /nfs/dbraw/zinc/99/46/00/553994600.db2.gz CPCDVEWQORVTOI-CUNXSJBXSA-N 0 1 510.537 4.761 50 0 KJAAMN Cc1ccc(NC(=O)[C@@H](CN(Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)Oc2cccc(F)c2)cc1 ZINC000034708276 553994615 /nfs/dbraw/zinc/99/46/15/553994615.db2.gz SRGHKSNBCVFOHT-LBNVMWSVSA-N 0 1 506.574 4.930 50 0 KJAAMN Cc1ccc(NC(=O)[C@H](CN(Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)Oc2cccc(F)c2)cc1 ZINC000034708277 553994506 /nfs/dbraw/zinc/99/45/06/553994506.db2.gz SRGHKSNBCVFOHT-LSYYVWMOSA-N 0 1 506.574 4.930 50 0 KJAAMN Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 ZINC000034724721 553996337 /nfs/dbraw/zinc/99/63/37/553996337.db2.gz UMDRJDZGRBXRFJ-UHFFFAOYSA-N 0 1 539.120 4.919 50 0 KJAAMN COc1ccc(CCNC(=O)c2ccc(C)nc2C2CCN(Cc3cccc(OC)c3OC)CC2)cc1OC ZINC000034725504 553996707 /nfs/dbraw/zinc/99/67/07/553996707.db2.gz JRZLJHOKKLNCIM-UHFFFAOYSA-N 0 1 533.669 4.777 50 0 KJAAMN COc1ccc(OC)c(CN2CCC(c3nc(C)ccc3C(=O)NCCc3ccc(OC)c(OC)c3)CC2)c1 ZINC000034725508 553996743 /nfs/dbraw/zinc/99/67/43/553996743.db2.gz GRTVSRHKUHMUDA-UHFFFAOYSA-N 0 1 533.669 4.777 50 0 KJAAMN COc1cc(OC)cc(C(=O)N2CCC(c3nc(C)ccc3C(=O)N3CCN(C4CCCCC4)CC3)CC2)c1 ZINC000034729597 553996948 /nfs/dbraw/zinc/99/69/48/553996948.db2.gz MGMIHXHMSLGVQG-UHFFFAOYSA-N 0 1 534.701 4.518 50 0 KJAAMN Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(C2CCN(C(=O)c3c(F)cccc3F)CC2)n1 ZINC000034729604 553997090 /nfs/dbraw/zinc/99/70/90/553997090.db2.gz XEJDQJJSBWDCPU-UHFFFAOYSA-N 0 1 510.629 4.779 50 0 KJAAMN COc1cccc(NC(=O)N2CCC(c3nc(C)ccc3C(=O)N3CCN(C4CCCCC4)CC3)CC2)c1 ZINC000034729770 553997428 /nfs/dbraw/zinc/99/74/28/553997428.db2.gz SIKGZDXZRBLJDL-UHFFFAOYSA-N 0 1 519.690 4.901 50 0 KJAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)Cc3ccc(OC)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034829526 554011861 /nfs/dbraw/zinc/01/18/61/554011861.db2.gz QJIAZGZAPJIBPY-UHFFFAOYSA-N 0 1 503.691 4.559 50 0 KJAAMN CCc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)N3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830356 554015286 /nfs/dbraw/zinc/01/52/86/554015286.db2.gz HYIFNWWCDWBPAL-DFHRPNOPSA-N 0 1 501.696 4.940 50 0 KJAAMN CCc1ccc(C(=O)N2CCN(C(=O)[C@H](C)N3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830357 554015180 /nfs/dbraw/zinc/01/51/80/554015180.db2.gz HYIFNWWCDWBPAL-DWACAAAGSA-N 0 1 501.696 4.940 50 0 KJAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000034830364 554015261 /nfs/dbraw/zinc/01/52/61/554015261.db2.gz KFARHHAATVLQPD-DTIFBSDHSA-N 0 1 513.707 4.867 50 0 KJAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000034830402 554015589 /nfs/dbraw/zinc/01/55/89/554015589.db2.gz PPJXBHVERXQFAG-KDYSTLNUSA-N 0 1 507.725 4.758 50 0 KJAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000034830403 554015648 /nfs/dbraw/zinc/01/56/48/554015648.db2.gz PPJXBHVERXQFAG-IDISGSTGSA-N 0 1 507.725 4.758 50 0 KJAAMN COc1ccc(CC(=O)N2CCCN(C(=O)[C@H](C)N3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034830412 554015627 /nfs/dbraw/zinc/01/56/27/554015627.db2.gz UUWZYDIYLQFQHI-YUDQIZAISA-N 0 1 531.722 4.705 50 0 KJAAMN COc1ccc(CC(=O)N2CCCN(C(=O)[C@H](C)N3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830413 554015698 /nfs/dbraw/zinc/01/56/98/554015698.db2.gz UUWZYDIYLQFQHI-JHOBJCJYSA-N 0 1 531.722 4.705 50 0 KJAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000034830418 554015791 /nfs/dbraw/zinc/01/57/91/554015791.db2.gz WFQMAZIXUZIYPM-KDYSTLNUSA-N 0 1 505.659 4.906 50 0 KJAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000034830419 554015571 /nfs/dbraw/zinc/01/55/71/554015571.db2.gz WFQMAZIXUZIYPM-IDISGSTGSA-N 0 1 505.659 4.906 50 0 KJAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830426 554015743 /nfs/dbraw/zinc/01/57/43/554015743.db2.gz SZSVCDMMIBRXBM-PZGXJGMVSA-N 0 1 519.686 4.835 50 0 KJAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830427 554015721 /nfs/dbraw/zinc/01/57/21/554015721.db2.gz SZSVCDMMIBRXBM-ZTOMLWHTSA-N 0 1 519.686 4.835 50 0 KJAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)COCc2ccccc2)CC1 ZINC000034830436 554015710 /nfs/dbraw/zinc/01/57/10/554015710.db2.gz BCYZFUVJTVSGNR-QABMSTFYSA-N 0 1 531.722 4.670 50 0 KJAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)COCc2ccccc2)CC1 ZINC000034830437 554015545 /nfs/dbraw/zinc/01/55/45/554015545.db2.gz BCYZFUVJTVSGNR-NGQVCNFZSA-N 0 1 531.722 4.670 50 0 KJAAMN O=C(CCN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000034830450 554016018 /nfs/dbraw/zinc/01/60/18/554016018.db2.gz CIHIHTILFPPUDB-AREMUKBSSA-N 0 1 512.050 4.863 50 0 KJAAMN O=C(CCN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000034830451 554016040 /nfs/dbraw/zinc/01/60/40/554016040.db2.gz CIHIHTILFPPUDB-SANMLTNESA-N 0 1 512.050 4.863 50 0 KJAAMN CCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034830494 554016052 /nfs/dbraw/zinc/01/60/52/554016052.db2.gz ZTSCRNWIKIOAIX-NDEPHWFRSA-N 0 1 505.659 4.772 50 0 KJAAMN CCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034830495 554015982 /nfs/dbraw/zinc/01/59/82/554015982.db2.gz ZTSCRNWIKIOAIX-MUUNZHRXSA-N 0 1 505.659 4.772 50 0 KJAAMN Cc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000034830516 554015975 /nfs/dbraw/zinc/01/59/75/554015975.db2.gz GHPIKNYQTUTXCM-KMRXNPHXSA-N 0 1 505.659 4.906 50 0 KJAAMN Cc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000034830517 554016251 /nfs/dbraw/zinc/01/62/51/554016251.db2.gz GHPIKNYQTUTXCM-PIKZIKFNSA-N 0 1 505.659 4.906 50 0 KJAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Cc1cccs1 ZINC000034830532 554016064 /nfs/dbraw/zinc/01/60/64/554016064.db2.gz XTFCODZKEGEUJZ-WINIVTDRSA-N 0 1 511.688 4.588 50 0 KJAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Cc1cccs1 ZINC000034830533 554016241 /nfs/dbraw/zinc/01/62/41/554016241.db2.gz XTFCODZKEGEUJZ-PPHZAIPVSA-N 0 1 511.688 4.588 50 0 KJAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000034830548 554016174 /nfs/dbraw/zinc/01/61/74/554016174.db2.gz SMJBVKRFXXMFFP-OLILMLBXSA-N 0 1 523.649 4.666 50 0 KJAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000034830549 554016260 /nfs/dbraw/zinc/01/62/60/554016260.db2.gz SMJBVKRFXXMFFP-WRONEBCDSA-N 0 1 523.649 4.666 50 0 KJAAMN Cc1ccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034830578 554016482 /nfs/dbraw/zinc/01/64/82/554016482.db2.gz NALXZRDRFVCSAZ-MHZLTWQESA-N 0 1 506.647 4.910 50 0 KJAAMN Cc1ccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034830579 554016514 /nfs/dbraw/zinc/01/65/14/554016514.db2.gz NALXZRDRFVCSAZ-HHHXNRCGSA-N 0 1 506.647 4.910 50 0 KJAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)NC1CCCCC1 ZINC000034830582 554016698 /nfs/dbraw/zinc/01/66/98/554016698.db2.gz QEAXXCYAUKMUEJ-HRFSGMKKSA-N 0 1 512.695 4.800 50 0 KJAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)NC1CCCCC1 ZINC000034830583 554016706 /nfs/dbraw/zinc/01/67/06/554016706.db2.gz QEAXXCYAUKMUEJ-DCFHFQCYSA-N 0 1 512.695 4.800 50 0 KJAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)NCc1ccccc1 ZINC000034830588 554016673 /nfs/dbraw/zinc/01/66/73/554016673.db2.gz GWVPYOARSCMZKI-PIKZIKFNSA-N 0 1 520.674 4.667 50 0 KJAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)NCc1ccccc1 ZINC000034830589 554016493 /nfs/dbraw/zinc/01/64/93/554016493.db2.gz GWVPYOARSCMZKI-KMRXNPHXSA-N 0 1 520.674 4.667 50 0 KJAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)C(=O)c1cccc(Br)c1 ZINC000034831212 554016978 /nfs/dbraw/zinc/01/69/78/554016978.db2.gz STJAMWZZTFVVLC-UHFFFAOYSA-N 0 1 510.480 4.747 50 0 KJAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)C(=O)c1ccccc1Br ZINC000034831223 554016893 /nfs/dbraw/zinc/01/68/93/554016893.db2.gz OUSMQOKZFSCLNN-UHFFFAOYSA-N 0 1 510.480 4.747 50 0 KJAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)c1cccc(Br)c1 ZINC000034831261 554016992 /nfs/dbraw/zinc/01/69/92/554016992.db2.gz PFCMWPUCUDIVQY-UHFFFAOYSA-N 0 1 528.470 4.887 50 0 KJAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)Cc3ccc(OC)cc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831336 554016942 /nfs/dbraw/zinc/01/69/42/554016942.db2.gz IQVCUNRRTWKEDF-UHFFFAOYSA-N 0 1 521.681 4.698 50 0 KJAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)Cc3ccc(F)cc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831341 554016882 /nfs/dbraw/zinc/01/68/82/554016882.db2.gz GKVPYQMRJZPDOF-UHFFFAOYSA-N 0 1 509.645 4.828 50 0 KJAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)COCc3ccccc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831346 554016960 /nfs/dbraw/zinc/01/69/60/554016960.db2.gz GIZSFGUAQXZLEB-UHFFFAOYSA-N 0 1 521.681 4.663 50 0 KJAAMN CCN1CCN(c2c(CN(C(=O)Nc3cccc(OC)c3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831375 554016926 /nfs/dbraw/zinc/01/69/26/554016926.db2.gz JJEIXZDXIJJWPE-UHFFFAOYSA-N 0 1 508.642 4.913 50 0 KJAAMN CCN1CCN(c2c(CN(CC(C)C)S(=O)(=O)c3ccc(C)cc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831386 554017274 /nfs/dbraw/zinc/01/72/74/554017274.db2.gz TYXCTLIMVWEERA-UHFFFAOYSA-N 0 1 527.710 4.617 50 0 KJAAMN CCN1CCN(c2c(CN(CCOC)C(=O)c3ccc(Cl)c(Cl)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034831873 554017627 /nfs/dbraw/zinc/01/76/27/554017627.db2.gz GKXYWALWQADSHF-UHFFFAOYSA-N 0 1 530.500 4.918 50 0 KJAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Cc1ccc(F)cc1 ZINC000034832035 554017545 /nfs/dbraw/zinc/01/75/45/554017545.db2.gz IAMPJYPYAOGTII-OAQYLSRUSA-N 0 1 509.645 4.971 50 0 KJAAMN CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Cc1ccc(F)cc1 ZINC000034832037 554017705 /nfs/dbraw/zinc/01/77/05/554017705.db2.gz IAMPJYPYAOGTII-NRFANRHFSA-N 0 1 509.645 4.971 50 0 KJAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)c1ccccc1OC ZINC000034832043 554017663 /nfs/dbraw/zinc/01/76/63/554017663.db2.gz VRMANBZJDMTQIU-OAQYLSRUSA-N 0 1 507.654 4.911 50 0 KJAAMN CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)c1ccccc1OC ZINC000034832045 554017551 /nfs/dbraw/zinc/01/75/51/554017551.db2.gz VRMANBZJDMTQIU-NRFANRHFSA-N 0 1 507.654 4.911 50 0 KJAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Cc1ccc(OC)cc1 ZINC000034832061 554017583 /nfs/dbraw/zinc/01/75/83/554017583.db2.gz VIYJQUIMTDCIKD-JOCHJYFZSA-N 0 1 521.681 4.840 50 0 KJAAMN CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Cc1ccc(OC)cc1 ZINC000034832062 554017568 /nfs/dbraw/zinc/01/75/68/554017568.db2.gz VIYJQUIMTDCIKD-QFIPXVFZSA-N 0 1 521.681 4.840 50 0 KJAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)COCc1ccccc1 ZINC000034832078 554017596 /nfs/dbraw/zinc/01/75/96/554017596.db2.gz BBONTJPBSMIJSB-HSZRJFAPSA-N 0 1 521.681 4.806 50 0 KJAAMN CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)COCc1ccccc1 ZINC000034832080 554017676 /nfs/dbraw/zinc/01/76/76/554017676.db2.gz BBONTJPBSMIJSB-QHCPKHFHSA-N 0 1 521.681 4.806 50 0 KJAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000034832099 554017561 /nfs/dbraw/zinc/01/75/61/554017561.db2.gz PCHPDVCESGJBHZ-HXUWFJFHSA-N 0 1 521.637 4.631 50 0 KJAAMN CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000034832101 554017621 /nfs/dbraw/zinc/01/76/21/554017621.db2.gz PCHPDVCESGJBHZ-FQEVSTJZSA-N 0 1 521.637 4.631 50 0 KJAAMN CCN1CCN(c2c(CN(CCC(C)C)C(=O)COCc3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034832141 554017556 /nfs/dbraw/zinc/01/75/56/554017556.db2.gz JJOZLMUPXJIFIE-UHFFFAOYSA-N 0 1 517.718 4.914 50 0 KJAAMN CCN1CCN(c2c(CN(CCC(C)C)C(=O)c3ccc4c(c3)OCO4)c(C)nn2-c2ccccc2)CC1 ZINC000034832164 554017953 /nfs/dbraw/zinc/01/79/53/554017953.db2.gz DGXFEGCHURQSIL-UHFFFAOYSA-N 0 1 517.674 4.740 50 0 KJAAMN CCN1CCN(c2c(CN(CCC(C)C)S(=O)(=O)c3ccc(C)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034832222 554018037 /nfs/dbraw/zinc/01/80/37/554018037.db2.gz RRENGGIBDDBCFD-UHFFFAOYSA-N 0 1 523.747 4.868 50 0 KJAAMN Cc1nn(-c2cccc(F)c2)c(N2CCN(C)CC2)c1CN(CCC(C)C)C(=O)COCc1ccccc1 ZINC000034834498 554018742 /nfs/dbraw/zinc/01/87/42/554018742.db2.gz WNGGVWDAHHTBIZ-UHFFFAOYSA-N 0 1 521.681 4.663 50 0 KJAAMN CCCC[C@@H](CC)C(=O)N(CCCOC)Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1 ZINC000034834550 554018917 /nfs/dbraw/zinc/01/89/17/554018917.db2.gz PQZPTVDUPYFMGV-HSZRJFAPSA-N 0 1 501.691 4.653 50 0 KJAAMN CCCC[C@H](CC)C(=O)N(CCCOC)Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1 ZINC000034834552 554018809 /nfs/dbraw/zinc/01/88/09/554018809.db2.gz PQZPTVDUPYFMGV-QHCPKHFHSA-N 0 1 501.691 4.653 50 0 KJAAMN COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)c1ccc2ccccc2c1 ZINC000034834566 554018827 /nfs/dbraw/zinc/01/88/27/554018827.db2.gz BRXXDZJDZGPGEU-UHFFFAOYSA-N 0 1 529.660 4.904 50 0 KJAAMN COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000034834700 554019264 /nfs/dbraw/zinc/01/92/64/554019264.db2.gz ORQOLFYLRNFVBF-UHFFFAOYSA-N 0 1 530.500 4.918 50 0 KJAAMN COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000034834746 554019321 /nfs/dbraw/zinc/01/93/21/554019321.db2.gz RNQCCUAWSSVTEH-UHFFFAOYSA-N 0 1 530.500 4.918 50 0 KJAAMN COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000034834747 554019329 /nfs/dbraw/zinc/01/93/29/554019329.db2.gz XXDRVKIXRGRDKT-UHFFFAOYSA-N 0 1 517.718 4.909 50 0 KJAAMN CCCCOc1ccc(C(=O)N(CCCOC)Cc2c(C)nn(-c3ccccc3)c2N2CCN(C)CC2)cc1 ZINC000034834759 554019363 /nfs/dbraw/zinc/01/93/63/554019363.db2.gz AWENUGFFKJAIPY-UHFFFAOYSA-N 0 1 533.717 4.790 50 0 KJAAMN COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000034834828 554019380 /nfs/dbraw/zinc/01/93/80/554019380.db2.gz LTDSONJQZHOUAB-UHFFFAOYSA-N 0 1 511.070 4.657 50 0 KJAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CC(C)C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000034834846 554019215 /nfs/dbraw/zinc/01/92/15/554019215.db2.gz MVNIMZYACSWDHM-UHFFFAOYSA-N 0 1 531.726 4.933 50 0 KJAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CCC(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000034834869 554019304 /nfs/dbraw/zinc/01/93/04/554019304.db2.gz ZLNAAEQDGVWUSN-UHFFFAOYSA-N 0 1 530.138 4.823 50 0 KJAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1cc(OC)cc(OC)c1 ZINC000034835005 554019199 /nfs/dbraw/zinc/01/91/99/554019199.db2.gz LCQMMFSPBYLHRC-JOCHJYFZSA-N 0 1 519.690 4.781 50 0 KJAAMN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1cc(OC)cc(OC)c1 ZINC000034835008 554019336 /nfs/dbraw/zinc/01/93/36/554019336.db2.gz LCQMMFSPBYLHRC-QFIPXVFZSA-N 0 1 519.690 4.781 50 0 KJAAMN CCc1ccc(C(=O)N(CCCOC)Cc2c(C)nn(-c3ccccc3)c2N2CCN(CC)CC2)cc1 ZINC000034835199 554019686 /nfs/dbraw/zinc/01/96/86/554019686.db2.gz KHLFCRULBMUJBV-UHFFFAOYSA-N 0 1 503.691 4.564 50 0 KJAAMN CCN1CCN(c2c(CN(CCCOC)C(=O)c3cccc(Cl)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034835224 554019514 /nfs/dbraw/zinc/01/95/14/554019514.db2.gz BAIFMVNSWVIBIK-UHFFFAOYSA-N 0 1 510.082 4.655 50 0 KJAAMN CCN1CCN(c2c(CN(CCCOC)C(=O)Nc3cccc(C)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034835262 554019556 /nfs/dbraw/zinc/01/95/56/554019556.db2.gz OBMPURALKNPKAW-UHFFFAOYSA-N 0 1 504.679 4.702 50 0 KJAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)COc1ccccc1 ZINC000034835424 554019545 /nfs/dbraw/zinc/01/95/45/554019545.db2.gz LBQLVSUBAQWRDL-UHFFFAOYSA-N 0 1 521.681 4.922 50 0 KJAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000034835437 554019975 /nfs/dbraw/zinc/01/99/75/554019975.db2.gz ZDLYTZGSOHFGIW-UHFFFAOYSA-N 0 1 535.664 4.885 50 0 KJAAMN Cc1nn(-c2cccc(F)c2)c(N2CCN(C(C)C)CC2)c1CN(C(=O)COc1ccccc1)C(C)C ZINC000034835700 554020035 /nfs/dbraw/zinc/02/00/35/554020035.db2.gz VYZFUXXUSAQDDH-UHFFFAOYSA-N 0 1 507.654 4.666 50 0 KJAAMN Cc1nn(-c2cccc(F)c2)c(N2CCN(C(C)C)CC2)c1CN(C(=O)Cc1ccc(F)cc1)C(C)C ZINC000034835724 554019913 /nfs/dbraw/zinc/01/99/13/554019913.db2.gz FDPIBRMTBURKHT-UHFFFAOYSA-N 0 1 509.645 4.969 50 0 KJAAMN Cc1nn(-c2cccc(F)c2)c(N2CCN(C(C)C)CC2)c1CN(C(=O)COCc1ccccc1)C(C)C ZINC000034835749 554020026 /nfs/dbraw/zinc/02/00/26/554020026.db2.gz SFABADFZDPIIST-UHFFFAOYSA-N 0 1 521.681 4.804 50 0 KJAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Nc1cccc(OC)c1 ZINC000034835827 554020330 /nfs/dbraw/zinc/02/03/30/554020330.db2.gz KQPRHSDGPWQZDY-UHFFFAOYSA-N 0 1 508.642 4.914 50 0 KJAAMN CCN1CCN(c2c(CN(C(=O)Nc3ccccc3OC)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835856 554020317 /nfs/dbraw/zinc/02/03/17/554020317.db2.gz FKZWOPPIUQYSRG-UHFFFAOYSA-N 0 1 506.626 4.667 50 0 KJAAMN CCN1CCN(c2c(CN(C(=O)Nc3cccc(OC)c3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835860 554020324 /nfs/dbraw/zinc/02/03/24/554020324.db2.gz GOXBOOWQLZUIHR-UHFFFAOYSA-N 0 1 506.626 4.667 50 0 KJAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)S(=O)(=O)c1ccccc1 ZINC000034835905 554020283 /nfs/dbraw/zinc/02/02/83/554020283.db2.gz JPNZHVFGZWNRLL-UHFFFAOYSA-N 0 1 527.710 4.705 50 0 KJAAMN CCN1CCN(c2c(CN(CCOC)Cc3ccc(Cl)cc3)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836418 554020567 /nfs/dbraw/zinc/02/05/67/554020567.db2.gz GPTSGDWICKMYBR-UHFFFAOYSA-N 0 1 500.062 4.764 50 0 KJAAMN CCN1CCN(c2c(CN(CCOC)Cc3ccccc3Cl)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836425 554020503 /nfs/dbraw/zinc/02/05/03/554020503.db2.gz RPLGSFMLHUSEPX-UHFFFAOYSA-N 0 1 500.062 4.764 50 0 KJAAMN CCN1CCN(c2c(CN(CCOC)Cc3cccc(Cl)c3)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836434 554020455 /nfs/dbraw/zinc/02/04/55/554020455.db2.gz UGZQENHRVBKWPK-UHFFFAOYSA-N 0 1 500.062 4.764 50 0 KJAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 ZINC000035374577 554045339 /nfs/dbraw/zinc/04/53/39/554045339.db2.gz NMHQKIDTOFABHM-JMBFNUQRSA-N 0 1 515.972 4.802 50 0 KJAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(F)c1)C(c1ccc(Br)cc1)=N2 ZINC000035397191 554047772 /nfs/dbraw/zinc/04/77/72/554047772.db2.gz MTPRRXVSYUVVKV-UHFFFAOYSA-N 0 1 507.404 4.722 50 0 KJAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1F)C(c1ccc(Br)cc1)=N2 ZINC000035397192 554047807 /nfs/dbraw/zinc/04/78/07/554047807.db2.gz IQPYXLXXVIOWGY-UHFFFAOYSA-N 0 1 507.404 4.722 50 0 KJAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1cc(F)ccc1F)C(c1ccc(Br)cc1)=N2 ZINC000035397195 554047737 /nfs/dbraw/zinc/04/77/37/554047737.db2.gz LPDHVCZDQLJGTQ-UHFFFAOYSA-N 0 1 507.404 4.722 50 0 KJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1)C(c1ccc(Br)cc1)=N2 ZINC000035397211 554047745 /nfs/dbraw/zinc/04/77/45/554047745.db2.gz PVHPMVXHIZAUEJ-UHFFFAOYSA-N 0 1 503.441 4.973 50 0 KJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(F)c1)C(c1ccc(Br)cc1)=N2 ZINC000035397214 554048130 /nfs/dbraw/zinc/04/81/30/554048130.db2.gz SGUQIBMJNGWRFP-UHFFFAOYSA-N 0 1 503.441 4.973 50 0 KJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(c1ccc(Br)cc1)=N2 ZINC000035397215 554048084 /nfs/dbraw/zinc/04/80/84/554048084.db2.gz KYQBDOTUJDQHDU-UHFFFAOYSA-N 0 1 503.441 4.973 50 0 KJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)cc1)C(c1ccc(Br)cc1)=N2 ZINC000035397218 554048178 /nfs/dbraw/zinc/04/81/78/554048178.db2.gz FJTSTQLYBKTAHY-UHFFFAOYSA-N 0 1 515.477 4.843 50 0 KJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(OC)c1)C(c1ccc(Br)cc1)=N2 ZINC000035397219 554048105 /nfs/dbraw/zinc/04/81/05/554048105.db2.gz STAQIFVTISSXPC-UHFFFAOYSA-N 0 1 515.477 4.843 50 0 KJAAMN COc1ccc(C(=O)N(CCN2CCCC2)CC(=O)N(Cc2cccs2)Cc2ccc(F)cc2)cc1 ZINC000035771152 554073246 /nfs/dbraw/zinc/07/32/46/554073246.db2.gz MBANOQYTZSGPSI-UHFFFAOYSA-N 0 1 509.647 4.663 50 0 KJAAMN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCCC2)C(=O)CC(C)(C)C)cc1OC ZINC000035809004 554077459 /nfs/dbraw/zinc/07/74/59/554077459.db2.gz QFJKDBNUYDGTJP-UHFFFAOYSA-N 0 1 541.733 4.927 50 0 KJAAMN Cc1ccccc1-n1[nH]c(Cc2ccc(F)cc2)c(C=C2NC(=O)N(Cc3ccc(F)cc3)C2=O)c1=O ZINC000035829436 554079564 /nfs/dbraw/zinc/07/95/64/554079564.db2.gz WUEIIPMNNYYVRZ-IWIPYMOSSA-N 0 1 500.505 4.848 50 0 KJAAMN COc1ccc(-n2[nH]c(Cc3ccc(F)cc3)c(C=C3NC(=O)N(Cc4ccc(C)cc4)C3=O)c2=O)cc1 ZINC000035829452 554079615 /nfs/dbraw/zinc/07/96/15/554079615.db2.gz YLWYOBVOEQEPDW-QQXSKIMKSA-N 0 1 512.541 4.718 50 0 KJAAMN COc1ccc(-n2[nH]c(Cc3ccc(F)cc3)c(C=C3NC(=O)N(Cc4ccccc4C)C3=O)c2=O)cc1 ZINC000035829477 554079625 /nfs/dbraw/zinc/07/96/25/554079625.db2.gz BZOVQLMDRHRKQT-QQXSKIMKSA-N 0 1 512.541 4.718 50 0 KJAAMN COc1ccc(-n2[nH]c(Cc3ccc(F)cc3)c(C=C3NC(=O)N(Cc4cccc(F)c4)C3=O)c2=O)cc1 ZINC000035829486 554079646 /nfs/dbraw/zinc/07/96/46/554079646.db2.gz BRBKSGVYPZRJJU-MYYYXRDXSA-N 0 1 516.504 4.548 50 0 KJAAMN Cc1ccccc1-n1[nH]c(Cc2ccc(F)cc2)c(C=C2NC(=O)N(Cc3cccc(F)c3)C2=O)c1=O ZINC000035829487 554079734 /nfs/dbraw/zinc/07/97/34/554079734.db2.gz JTSNLSNHVKOTEO-IWIPYMOSSA-N 0 1 500.505 4.848 50 0 KJAAMN Cc1ccccc1-n1[nH]c(Cc2ccc(F)cc2)c(C=C2NC(=O)N(Cc3c(F)cccc3F)C2=O)c1=O ZINC000035829503 554079665 /nfs/dbraw/zinc/07/96/65/554079665.db2.gz SQNBKLIZIRFLIV-OYKKKHCWSA-N 0 1 518.495 4.987 50 0 KJAAMN Cc1ccccc1-n1[nH]c(Cc2ccc(F)cc2)c(C=C2NC(=O)N(Cc3ccc(F)c(F)c3)C2=O)c1=O ZINC000035829508 554079619 /nfs/dbraw/zinc/07/96/19/554079619.db2.gz YICZUIOURBYAQB-OYKKKHCWSA-N 0 1 518.495 4.987 50 0 KJAAMN Cc1ccccc1Cc1[nH]n(-c2ccccc2C)c(=O)c1C=C1NC(=O)N(Cc2cccc(C#N)c2)C1=O ZINC000035829537 554079574 /nfs/dbraw/zinc/07/95/74/554079574.db2.gz KPCMBWMQAIRJBU-QQXSKIMKSA-N 0 1 503.562 4.750 50 0 KJAAMN Cc1ccccc1-n1[nH]c(Cc2ccc(F)cc2)c(C=C2NC(=O)N(Cc3ccccc3C#N)C2=O)c1=O ZINC000035829541 554079708 /nfs/dbraw/zinc/07/97/08/554079708.db2.gz JCJUIPAFGXRNPO-MYYYXRDXSA-N 0 1 507.525 4.581 50 0 KJAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccncc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000035844125 554082456 /nfs/dbraw/zinc/08/24/56/554082456.db2.gz OCIIPZZPFIZDPZ-YRIIQKNPSA-N 0 1 503.583 4.999 50 0 KJAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccncc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000035844127 554082408 /nfs/dbraw/zinc/08/24/08/554082408.db2.gz OCIIPZZPFIZDPZ-CPBHOCDRSA-N 0 1 503.583 4.999 50 0 KJAAMN O=C(NCc1ccncc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000035871389 554085776 /nfs/dbraw/zinc/08/57/76/554085776.db2.gz ZTGVLJJBPMKFQS-ZCYQVOJMSA-N 0 1 514.979 4.933 50 0 KJAAMN COc1ccc(-c2nc(N3CCN(Cc4ccccc4)CC3)nc3nn(Cc4ccccc4)c(N)c32)c(F)c1 ZINC000035929032 554101445 /nfs/dbraw/zinc/10/14/45/554101445.db2.gz IPEKAOATYDHQIM-UHFFFAOYSA-N 0 1 523.616 4.594 50 0 KJAAMN COc1ccc(-n2nc3nc(N4CCN(Cc5ccccc5)CC4)nc(-c4ccc(F)cc4)c3c2N)cc1 ZINC000035930014 554101705 /nfs/dbraw/zinc/10/17/05/554101705.db2.gz WJUPBUMTJBIJLF-UHFFFAOYSA-N 0 1 509.589 4.535 50 0 KJAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000035990992 554123778 /nfs/dbraw/zinc/12/37/78/554123778.db2.gz AOVDVDKWHXLEEQ-VWLOTQADSA-N 0 1 531.484 4.715 50 0 KJAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000035990993 554123804 /nfs/dbraw/zinc/12/38/04/554123804.db2.gz AOVDVDKWHXLEEQ-RUZDIDTESA-N 0 1 531.484 4.715 50 0 KJAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000035991208 554123667 /nfs/dbraw/zinc/12/36/67/554123667.db2.gz VITCHQXAYQHJPE-VWLOTQADSA-N 0 1 531.484 4.715 50 0 KJAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000035991209 554124197 /nfs/dbraw/zinc/12/41/97/554124197.db2.gz VITCHQXAYQHJPE-RUZDIDTESA-N 0 1 531.484 4.715 50 0 KJAAMN Cc1ccc(CN2CCN(c3ccc(NC(=O)c4ccccc4F)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000036001675 554128830 /nfs/dbraw/zinc/12/88/30/554128830.db2.gz NUPFGKBLRSKFTL-UHFFFAOYSA-N 0 1 500.618 4.945 50 0 KJAAMN Cc1ccc(CN2CCN(c3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000036001676 554128936 /nfs/dbraw/zinc/12/89/36/554128936.db2.gz MBICRBPQBZWLMC-UHFFFAOYSA-N 0 1 500.618 4.945 50 0 KJAAMN Cc1cccc(CN2CCN(c3ccc(NC(=O)c4ccccc4Cl)cc3C(=O)N3CCOCC3)CC2)c1 ZINC000036027583 554141122 /nfs/dbraw/zinc/14/11/22/554141122.db2.gz VIXJQXVYYKVUKV-UHFFFAOYSA-N 0 1 533.072 4.695 50 0 KJAAMN CCc1cc(N2CCN(Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)NCc3ccccn3)o2)n1 ZINC000036028496 554141761 /nfs/dbraw/zinc/14/17/61/554141761.db2.gz FOJHMMHWSPZJSR-UHFFFAOYSA-N 0 1 528.682 4.572 50 0 KJAAMN CCc1cc(N2CCN(Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)NCc3cccnc3)o2)n1 ZINC000036028497 554141885 /nfs/dbraw/zinc/14/18/85/554141885.db2.gz LLJIMGZASPMPCA-UHFFFAOYSA-N 0 1 528.682 4.572 50 0 KJAAMN Cc1cc(N2CCN(Cc3ccccc3)CC2)nc(SCc2cccc(C(=O)NCc3cccnc3)c2)n1 ZINC000036029320 554141928 /nfs/dbraw/zinc/14/19/28/554141928.db2.gz RSHJUHSCFQWWNC-UHFFFAOYSA-N 0 1 524.694 4.725 50 0 KJAAMN CN1CCN(c2cc(-c3ccccc3)nc(SCc3cccc(C(=O)NCc4ccccn4)c3)n2)CC1 ZINC000036038711 554146786 /nfs/dbraw/zinc/14/67/86/554146786.db2.gz VMLIHVONUKXKCL-UHFFFAOYSA-N 0 1 510.667 4.513 50 0 KJAAMN CC(C)NC(=O)c1ccc(CSc2nc(N3CCN(Cc4ccccc4)CC3)cc(C(F)(F)F)n2)o1 ZINC000036038743 554146861 /nfs/dbraw/zinc/14/68/61/554146861.db2.gz SFBROGSHUOXZMC-UHFFFAOYSA-N 0 1 519.593 4.841 50 0 KJAAMN CCN1CCN(c2cc(C(C)C)nc(SCc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)n2)CC1 ZINC000036049753 554156397 /nfs/dbraw/zinc/15/63/97/554156397.db2.gz IWPCLPBVZBQZJX-UHFFFAOYSA-N 0 1 533.698 4.693 50 0 KJAAMN Cc1nc(SCc2cccc(C(=O)NCC3CC3)c2)nc(N2CCN(Cc3ccccc3)CC2)c1C ZINC000036062994 554162277 /nfs/dbraw/zinc/16/22/77/554162277.db2.gz MHWHDMVWHAKORO-UHFFFAOYSA-N 0 1 501.700 4.848 50 0 KJAAMN CCN1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)NCc4cccnc4)cc3)n2)CC1 ZINC000036065093 554163531 /nfs/dbraw/zinc/16/35/31/554163531.db2.gz LNZHGQSETJBRFL-UHFFFAOYSA-N 0 1 504.704 4.533 50 0 KJAAMN COc1ccc(S(=O)(=O)N(CCN2CCCC2)Cc2csc(COc3cccc(C)c3C)n2)cc1 ZINC000036115350 554178682 /nfs/dbraw/zinc/17/86/82/554178682.db2.gz SXYMRDDGEIRPLA-UHFFFAOYSA-N 0 1 515.701 4.634 50 0 KJAAMN O=C(CN(CCN1CCCC1)C(=O)c1ccccc1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121291 554191376 /nfs/dbraw/zinc/19/13/76/554191376.db2.gz IEUUXQNQBBAYRT-SANMLTNESA-N 0 1 521.658 4.630 50 0 KJAAMN O=C(CN(CCN1CCCC1)C(=O)c1ccccc1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121292 554191334 /nfs/dbraw/zinc/19/13/34/554191334.db2.gz IEUUXQNQBBAYRT-AREMUKBSSA-N 0 1 521.658 4.630 50 0 KJAAMN Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1CN(C[C@H](O)CN1CCOCC1)CC1CC1 ZINC000036303626 554213756 /nfs/dbraw/zinc/21/37/56/554213756.db2.gz VRDFLMNHWWPZHZ-XMMPIXPASA-N 0 1 511.066 4.532 50 0 KJAAMN Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1CN(C[C@@H](O)CN1CCOCC1)CC1CC1 ZINC000036303628 554213933 /nfs/dbraw/zinc/21/39/33/554213933.db2.gz VRDFLMNHWWPZHZ-DEOSSOPVSA-N 0 1 511.066 4.532 50 0 KJAAMN CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000036305025 554214973 /nfs/dbraw/zinc/21/49/73/554214973.db2.gz YAFFMTNTXOMLGW-YADHBBJMSA-N 0 1 500.039 4.911 50 0 KJAAMN CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000036305028 554215015 /nfs/dbraw/zinc/21/50/15/554215015.db2.gz YAFFMTNTXOMLGW-VXKWHMMOSA-N 0 1 500.039 4.911 50 0 KJAAMN CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000036305188 554214902 /nfs/dbraw/zinc/21/49/02/554214902.db2.gz SLYHRRLPTAZKKW-VWNXMTODSA-N 0 1 500.039 4.911 50 0 KJAAMN CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000036305191 554214932 /nfs/dbraw/zinc/21/49/32/554214932.db2.gz SLYHRRLPTAZKKW-UPVQGACJSA-N 0 1 500.039 4.911 50 0 KJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](O)COCc1ccccc1 ZINC000036305321 554215309 /nfs/dbraw/zinc/21/53/09/554215309.db2.gz MQLFTWLVAALOSE-SANMLTNESA-N 0 1 531.653 4.914 50 0 KJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@@H](O)COCc1ccccc1 ZINC000036305323 554215255 /nfs/dbraw/zinc/21/52/55/554215255.db2.gz MQLFTWLVAALOSE-AREMUKBSSA-N 0 1 531.653 4.914 50 0 KJAAMN COc1cccc(Oc2c(CN(C[C@@H](O)COC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036305579 554215424 /nfs/dbraw/zinc/21/54/24/554215424.db2.gz XMRWHHIGMCGADM-BVAGGSTKSA-N 0 1 509.647 4.655 50 0 KJAAMN COc1cccc(Oc2c(CN(C[C@H](O)COC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036305582 554215278 /nfs/dbraw/zinc/21/52/78/554215278.db2.gz XMRWHHIGMCGADM-OZXSUGGESA-N 0 1 509.647 4.655 50 0 KJAAMN COc1cccc(Oc2c(CN(C[C@@H](O)COCC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036305590 554215516 /nfs/dbraw/zinc/21/55/16/554215516.db2.gz MFOBETOKXVFUEF-SQHAQQRYSA-N 0 1 523.674 4.903 50 0 KJAAMN COc1cccc(Oc2c(CN(C[C@H](O)COCC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036305594 554215176 /nfs/dbraw/zinc/21/51/76/554215176.db2.gz MFOBETOKXVFUEF-IGKIAQTJSA-N 0 1 523.674 4.903 50 0 KJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)Cc1ccccc1 ZINC000036305732 554215381 /nfs/dbraw/zinc/21/53/81/554215381.db2.gz DXPGAVHBAZCYLG-RUZDIDTESA-N 0 1 501.627 4.940 50 0 KJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000036305735 554215197 /nfs/dbraw/zinc/21/51/97/554215197.db2.gz DXPGAVHBAZCYLG-VWLOTQADSA-N 0 1 501.627 4.940 50 0 KJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)Cc1ccccc1 ZINC000036306002 554215489 /nfs/dbraw/zinc/21/54/89/554215489.db2.gz LHVRMBZVVYOTDP-RUZDIDTESA-N 0 1 501.627 4.940 50 0 KJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036306004 554215324 /nfs/dbraw/zinc/21/53/24/554215324.db2.gz LHVRMBZVVYOTDP-VWLOTQADSA-N 0 1 501.627 4.940 50 0 KJAAMN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COCC(C)C ZINC000036308872 554216607 /nfs/dbraw/zinc/21/66/07/554216607.db2.gz ZXRGNIQFMNVAQI-OZXSUGGESA-N 0 1 502.721 4.732 50 0 KJAAMN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COCC(C)C ZINC000036308874 554216837 /nfs/dbraw/zinc/21/68/37/554216837.db2.gz ZXRGNIQFMNVAQI-BVAGGSTKSA-N 0 1 502.721 4.732 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@H](O)COCc1ccccc1 ZINC000036309137 554216634 /nfs/dbraw/zinc/21/66/34/554216634.db2.gz LSHPJDROXFEJNR-LSYYVWMOSA-N 0 1 522.711 4.851 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036309138 554216701 /nfs/dbraw/zinc/21/67/01/554216701.db2.gz LSHPJDROXFEJNR-NAKRPHOHSA-N 0 1 522.711 4.851 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COC(C)C ZINC000036309233 554216825 /nfs/dbraw/zinc/21/68/25/554216825.db2.gz MOFXYLZZMFVIBA-OZXSUGGESA-N 0 1 502.721 4.874 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COC(C)C ZINC000036309234 554216739 /nfs/dbraw/zinc/21/67/39/554216739.db2.gz MOFXYLZZMFVIBA-BVAGGSTKSA-N 0 1 502.721 4.874 50 0 KJAAMN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](O)COCc1ccccc1 ZINC000036309373 554217322 /nfs/dbraw/zinc/21/73/22/554217322.db2.gz YGGQCKUKZBCYJI-BDYUSTAISA-N 0 1 522.711 4.769 50 0 KJAAMN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](O)COCc1ccccc1 ZINC000036309374 554217308 /nfs/dbraw/zinc/21/73/08/554217308.db2.gz YGGQCKUKZBCYJI-VPUSJEBWSA-N 0 1 522.711 4.769 50 0 KJAAMN Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H](O)COCc2ccccc2)C2CC2)c1 ZINC000036309471 554217156 /nfs/dbraw/zinc/21/71/56/554217156.db2.gz LSXDVLPTAQWGGB-LBNVMWSVSA-N 0 1 520.695 4.603 50 0 KJAAMN Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H](O)COCc2ccccc2)C2CC2)c1 ZINC000036309472 554217237 /nfs/dbraw/zinc/21/72/37/554217237.db2.gz LSXDVLPTAQWGGB-LSYYVWMOSA-N 0 1 520.695 4.603 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](O)COc1ccccc1 ZINC000036309487 554217113 /nfs/dbraw/zinc/21/71/13/554217113.db2.gz CREXICDMVAPWII-HOFKKMOUSA-N 0 1 508.684 4.713 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](O)COc1ccccc1 ZINC000036309488 554217260 /nfs/dbraw/zinc/21/72/60/554217260.db2.gz CREXICDMVAPWII-KCWPFWIISA-N 0 1 508.684 4.713 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](O)COCc1ccccc1 ZINC000036309489 554217286 /nfs/dbraw/zinc/21/72/86/554217286.db2.gz DTCUENQOUKSSKX-LSYYVWMOSA-N 0 1 522.711 4.851 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](O)COCc1ccccc1 ZINC000036309490 554217230 /nfs/dbraw/zinc/21/72/30/554217230.db2.gz DTCUENQOUKSSKX-NAKRPHOHSA-N 0 1 522.711 4.851 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@H](O)COCc1ccccc1 ZINC000036309605 554217293 /nfs/dbraw/zinc/21/72/93/554217293.db2.gz QLMXWEYFOCIHQR-IGKIAQTJSA-N 0 1 526.674 4.682 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@@H](O)COCc1ccccc1 ZINC000036309607 554217202 /nfs/dbraw/zinc/21/72/02/554217202.db2.gz QLMXWEYFOCIHQR-SQHAQQRYSA-N 0 1 526.674 4.682 50 0 KJAAMN CC(C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COc1ccccc1 ZINC000036309744 554217315 /nfs/dbraw/zinc/21/73/15/554217315.db2.gz LCVCALLFNVKNRY-NVQXNPDNSA-N 0 1 512.647 4.542 50 0 KJAAMN CC(C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COc1ccccc1 ZINC000036309746 554217254 /nfs/dbraw/zinc/21/72/54/554217254.db2.gz LCVCALLFNVKNRY-GJZUVCINSA-N 0 1 512.647 4.542 50 0 KJAAMN CC(C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000036309748 554217218 /nfs/dbraw/zinc/21/72/18/554217218.db2.gz OLCSTFRJRVNCAV-IGKIAQTJSA-N 0 1 526.674 4.680 50 0 KJAAMN CC(C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036309751 554217577 /nfs/dbraw/zinc/21/75/77/554217577.db2.gz OLCSTFRJRVNCAV-SQHAQQRYSA-N 0 1 526.674 4.680 50 0 KJAAMN Cc1ccccc1OC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)C ZINC000036309765 554217670 /nfs/dbraw/zinc/21/76/70/554217670.db2.gz VEEDPRNDVLJSFD-BVAGGSTKSA-N 0 1 526.674 4.851 50 0 KJAAMN Cc1ccccc1OC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)C ZINC000036309767 554217709 /nfs/dbraw/zinc/21/77/09/554217709.db2.gz VEEDPRNDVLJSFD-OZXSUGGESA-N 0 1 526.674 4.851 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COc1ccccc1 ZINC000036309783 554217637 /nfs/dbraw/zinc/21/76/37/554217637.db2.gz PTTJYRWTLZTEKI-NVQXNPDNSA-N 0 1 512.647 4.544 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COc1ccccc1 ZINC000036309785 554217790 /nfs/dbraw/zinc/21/77/90/554217790.db2.gz PTTJYRWTLZTEKI-GJZUVCINSA-N 0 1 512.647 4.544 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000036309788 554217647 /nfs/dbraw/zinc/21/76/47/554217647.db2.gz RKMHCIPKZJZKMJ-IGKIAQTJSA-N 0 1 526.674 4.682 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036309791 554217740 /nfs/dbraw/zinc/21/77/40/554217740.db2.gz RKMHCIPKZJZKMJ-SQHAQQRYSA-N 0 1 526.674 4.682 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COc1ccccc1C ZINC000036309809 554217828 /nfs/dbraw/zinc/21/78/28/554217828.db2.gz SSLPXJOODNNGJV-OZXSUGGESA-N 0 1 526.674 4.852 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C ZINC000036309810 554217614 /nfs/dbraw/zinc/21/76/14/554217614.db2.gz SSLPXJOODNNGJV-BVAGGSTKSA-N 0 1 526.674 4.852 50 0 KJAAMN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@H](O)COc1ccccc1C ZINC000036309954 554217627 /nfs/dbraw/zinc/21/76/27/554217627.db2.gz RPOJBOGVWGMROA-ZCYQVOJMSA-N 0 1 508.684 4.632 50 0 KJAAMN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@@H](O)COc1ccccc1C ZINC000036309957 554217765 /nfs/dbraw/zinc/21/77/65/554217765.db2.gz RPOJBOGVWGMROA-NOZRDPDXSA-N 0 1 508.684 4.632 50 0 KJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@@H](O)COCC(C)C ZINC000036316124 554219712 /nfs/dbraw/zinc/21/97/12/554219712.db2.gz HWMCPRFHOZMEHP-JOCHJYFZSA-N 0 1 503.590 4.640 50 0 KJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](O)COCC(C)C ZINC000036316125 554219677 /nfs/dbraw/zinc/21/96/77/554219677.db2.gz HWMCPRFHOZMEHP-QFIPXVFZSA-N 0 1 503.590 4.640 50 0 KJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)(C)C ZINC000036316130 554219541 /nfs/dbraw/zinc/21/95/41/554219541.db2.gz JGBHZMQLGHYRFZ-OAQYLSRUSA-N 0 1 503.590 4.782 50 0 KJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)(C)C ZINC000036316131 554219691 /nfs/dbraw/zinc/21/96/91/554219691.db2.gz JGBHZMQLGHYRFZ-NRFANRHFSA-N 0 1 503.590 4.782 50 0 KJAAMN COCc1nc(-c2ccccc2)nc(N2CCN(C[C@H](O)Cc3ccccc3)CC2)c1Cc1ccc(C)cc1 ZINC000036316590 554219513 /nfs/dbraw/zinc/21/95/13/554219513.db2.gz LMSRUNOUTORHIM-GDLZYMKVSA-N 0 1 522.693 4.915 50 0 KJAAMN COCc1nc(-c2ccccc2)nc(N2CCN(C[C@@H](O)Cc3ccccc3)CC2)c1Cc1ccc(C)cc1 ZINC000036316591 554219983 /nfs/dbraw/zinc/21/99/83/554219983.db2.gz LMSRUNOUTORHIM-LJAQVGFWSA-N 0 1 522.693 4.915 50 0 KJAAMN CCCCOC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340286 554220223 /nfs/dbraw/zinc/22/02/23/554220223.db2.gz JDOCYYXDFQAQJO-AREMUKBSSA-N 0 1 509.094 4.996 50 0 KJAAMN CCCCOC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340287 554220297 /nfs/dbraw/zinc/22/02/97/554220297.db2.gz JDOCYYXDFQAQJO-SANMLTNESA-N 0 1 509.094 4.996 50 0 KJAAMN CCCCOC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000036340324 554220323 /nfs/dbraw/zinc/22/03/23/554220323.db2.gz GYZDERRAWOYMOD-MUUNZHRXSA-N 0 1 502.703 4.959 50 0 KJAAMN CCCCOC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000036340325 554220270 /nfs/dbraw/zinc/22/02/70/554220270.db2.gz GYZDERRAWOYMOD-NDEPHWFRSA-N 0 1 502.703 4.959 50 0 KJAAMN CCc1nc(-c2ccccc2)nc(N2CCN(C[C@H](O)COCC(C)C)CC2)c1Cc1ccccc1F ZINC000036340836 554220146 /nfs/dbraw/zinc/22/01/46/554220146.db2.gz ARHXEGHSNWVRMD-VWLOTQADSA-N 0 1 506.666 4.591 50 0 KJAAMN CCc1nc(-c2ccccc2)nc(N2CCN(C[C@@H](O)COCC(C)C)CC2)c1Cc1ccccc1F ZINC000036340837 554220096 /nfs/dbraw/zinc/22/00/96/554220096.db2.gz ARHXEGHSNWVRMD-RUZDIDTESA-N 0 1 506.666 4.591 50 0 KJAAMN CCCCOC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(CC)c2Cc2ccccc2F)CC1 ZINC000036340854 554220213 /nfs/dbraw/zinc/22/02/13/554220213.db2.gz XREIRAHVGCJCQF-RUZDIDTESA-N 0 1 506.666 4.736 50 0 KJAAMN CCCCOC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(CC)c2Cc2ccccc2F)CC1 ZINC000036340855 554220342 /nfs/dbraw/zinc/22/03/42/554220342.db2.gz XREIRAHVGCJCQF-VWLOTQADSA-N 0 1 506.666 4.736 50 0 KJAAMN Cc1ccc(C2=C(O)[C@H]3C(=C(O)c4ccc(Br)cc4)N4N=Cc5ccccc5[C@H]4C3=C2O)cc1 ZINC000037246253 554230973 /nfs/dbraw/zinc/23/09/73/554230973.db2.gz METUVYKPOPQCDB-GIDFYXQGSA-N 0 1 513.391 4.881 50 0 KJAAMN CC[C@H](C(=O)NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCC3)CC2)CC1)c1ccccc1 ZINC000037277342 554233056 /nfs/dbraw/zinc/23/30/56/554233056.db2.gz CKTKNSVAMOKDPV-MHZLTWQESA-N 0 1 502.703 4.666 50 0 KJAAMN CC[C@@H](C(=O)NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCC3)CC2)CC1)c1ccccc1 ZINC000037277346 554233343 /nfs/dbraw/zinc/23/33/43/554233343.db2.gz CKTKNSVAMOKDPV-HHHXNRCGSA-N 0 1 502.703 4.666 50 0 KJAAMN COc1ccc(-n2nc3nc(N4CCN(Cc5ccccc5)CC4)nc(-c4cccc(F)c4)c3c2N)cc1 ZINC000037359181 554235050 /nfs/dbraw/zinc/23/50/50/554235050.db2.gz ZOGKNMLEKWZLIR-UHFFFAOYSA-N 0 1 509.589 4.535 50 0 KJAAMN COc1ccccc1-c1nc(N2CCN(Cc3ccccc3)CC2)nc2nn(-c3cccc(F)c3)c(N)c21 ZINC000037359275 554235030 /nfs/dbraw/zinc/23/50/30/554235030.db2.gz UAYZVZMXAVFNAV-UHFFFAOYSA-N 0 1 509.589 4.535 50 0 KJAAMN Nc1c2c(nn1-c1cc(F)ccc1F)nc(N1CCN(Cc3ccccc3)CC1)nc2-c1cccc(F)c1 ZINC000037375667 554235125 /nfs/dbraw/zinc/23/51/25/554235125.db2.gz SUQMQFHXIPJYCC-UHFFFAOYSA-N 0 1 515.543 4.804 50 0 KJAAMN COc1ccc(CN2CCC(N(c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000037560545 554251890 /nfs/dbraw/zinc/25/18/90/554251890.db2.gz GRXZMTNWWKMMGO-UHFFFAOYSA-N 0 1 514.619 4.711 50 0 KJAAMN COc1cccc(CN2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000037587799 554253058 /nfs/dbraw/zinc/25/30/58/554253058.db2.gz KCHBAZIZAGHBIF-UHFFFAOYSA-N 0 1 515.031 4.937 50 0 KJAAMN CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)NCCN4CCCC4)o3)cc2[C@@H]1c1ccccc1 ZINC000037603925 554255095 /nfs/dbraw/zinc/25/50/95/554255095.db2.gz DSHLPFRHBCOXQC-LJAQVGFWSA-N 0 1 515.654 4.814 50 0 KJAAMN CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)NCCN4CCCC4)o3)cc2[C@H]1c1ccccc1 ZINC000037603926 554255086 /nfs/dbraw/zinc/25/50/86/554255086.db2.gz DSHLPFRHBCOXQC-GDLZYMKVSA-N 0 1 515.654 4.814 50 0 KJAAMN O=C(NCCN1CCCC1)c1ccc(COc2ccc3c(c2)[C@@H](c2ccc(F)cc2)N(C(=O)C2CC2)CC3)o1 ZINC000037604759 554256233 /nfs/dbraw/zinc/25/62/33/554256233.db2.gz NELSXTFKWQAUQR-GDLZYMKVSA-N 0 1 531.628 4.707 50 0 KJAAMN O=C(NCCN1CCCC1)c1ccc(COc2ccc3c(c2)[C@H](c2ccc(F)cc2)N(C(=O)C2CC2)CC3)o1 ZINC000037604760 554256167 /nfs/dbraw/zinc/25/61/67/554256167.db2.gz NELSXTFKWQAUQR-LJAQVGFWSA-N 0 1 531.628 4.707 50 0 KJAAMN Cc1ccc([C@@H]2c3cc(OCc4ccc(C(=O)NCCN5CCCC5)o4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037605145 554256571 /nfs/dbraw/zinc/25/65/71/554256571.db2.gz IWQINHJRRXXQGJ-SSEXGKCCSA-N 0 1 527.665 4.877 50 0 KJAAMN Cc1ccc([C@H]2c3cc(OCc4ccc(C(=O)NCCN5CCCC5)o4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037605148 554256551 /nfs/dbraw/zinc/25/65/51/554256551.db2.gz IWQINHJRRXXQGJ-PMERELPUSA-N 0 1 527.665 4.877 50 0 KJAAMN CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)NCCN4CCCC4)o3)cc2[C@@H]1c1cccc(C)c1 ZINC000037608400 554257945 /nfs/dbraw/zinc/25/79/45/554257945.db2.gz JWHAFVQUEFXKFD-PMERELPUSA-N 0 1 515.654 4.877 50 0 KJAAMN CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)NCCN4CCCC4)o3)cc2[C@H]1c1cccc(C)c1 ZINC000037608403 554257937 /nfs/dbraw/zinc/25/79/37/554257937.db2.gz JWHAFVQUEFXKFD-SSEXGKCCSA-N 0 1 515.654 4.877 50 0 KJAAMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000038140313 554263099 /nfs/dbraw/zinc/26/30/99/554263099.db2.gz HJAQYOBTYLQGMM-QFIPXVFZSA-N 0 1 532.460 4.800 50 0 KJAAMN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000038140314 554263128 /nfs/dbraw/zinc/26/31/28/554263128.db2.gz HJAQYOBTYLQGMM-JOCHJYFZSA-N 0 1 532.460 4.800 50 0 KJAAMN CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1nc2ccc(Cl)cc2s1 ZINC000038144548 554266154 /nfs/dbraw/zinc/26/61/54/554266154.db2.gz VKGXVQZIUWYFAD-UHFFFAOYSA-N 0 1 529.087 4.983 50 0 KJAAMN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3c(cc(F)cc3F)s2)cc1 ZINC000038144550 554266176 /nfs/dbraw/zinc/26/61/76/554266176.db2.gz UTAYQIXEJIPIDN-UHFFFAOYSA-N 0 1 544.649 4.998 50 0 KJAAMN O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000038151102 554271739 /nfs/dbraw/zinc/27/17/39/554271739.db2.gz IBSYIUYMCJKTNI-UHFFFAOYSA-N 0 1 528.472 4.644 50 0 KJAAMN O=S(=O)([N-]c1nc2ccccc2nc1N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000038267795 554274709 /nfs/dbraw/zinc/27/47/09/554274709.db2.gz FKXWMMFJHPKYOC-RMKNXTFCSA-N 0 1 520.058 4.919 50 0 KJAAMN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(Br)cc3C)cc21 ZINC000040450331 554285233 /nfs/dbraw/zinc/28/52/33/554285233.db2.gz QNOJPUTWJACGJL-UHFFFAOYSA-N 0 1 502.228 4.620 50 0 KJAAMN Cc1cc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)ccc1Br ZINC000040450395 554285178 /nfs/dbraw/zinc/28/51/78/554285178.db2.gz NWMYKKHSJYXTKK-UHFFFAOYSA-N 0 1 514.239 4.620 50 0 KJAAMN Cc1cc(Br)ccc1NS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450497 554285550 /nfs/dbraw/zinc/28/55/50/554285550.db2.gz UWBMKSBEKQHGBT-UHFFFAOYSA-N 0 1 514.239 4.620 50 0 KJAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3ccc(Br)c(C)c3)c(Br)cc2C[C@@H]1C ZINC000040450562 554285439 /nfs/dbraw/zinc/28/54/39/554285439.db2.gz PLAKNZXGIUJXBT-NSHDSACASA-N 0 1 502.228 4.618 50 0 KJAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3ccc(Br)c(C)c3)c(Br)cc2C[C@H]1C ZINC000040450563 554285477 /nfs/dbraw/zinc/28/54/77/554285477.db2.gz PLAKNZXGIUJXBT-LLVKDONJSA-N 0 1 502.228 4.618 50 0 KJAAMN CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C(F)(F)F ZINC000043207772 554298392 /nfs/dbraw/zinc/29/83/92/554298392.db2.gz IGUBBWJDMLCRIK-UHFFFAOYSA-N 0 1 501.509 4.792 50 0 in-vivo KJAAMN COc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000045912744 554314038 /nfs/dbraw/zinc/31/40/38/554314038.db2.gz ZJEGEIWGPQRMQB-UHFFFAOYSA-N 0 1 508.688 4.996 50 0 KJAAMN COc1ccc(OC)c(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(C(C)(C)C)cc2)c1 ZINC000045912748 554313919 /nfs/dbraw/zinc/31/39/19/554313919.db2.gz OCETVEMRFJMRIL-UHFFFAOYSA-N 0 1 508.688 4.996 50 0 KJAAMN COc1cc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(C(C)(C)C)cc2)cc(OC)c1 ZINC000045912752 554313933 /nfs/dbraw/zinc/31/39/33/554313933.db2.gz CBTRAXNATBNFIG-UHFFFAOYSA-N 0 1 508.688 4.996 50 0 KJAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCCO3)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000045912760 554314023 /nfs/dbraw/zinc/31/40/23/554314023.db2.gz ILNPEZYDKJXNNI-UHFFFAOYSA-N 0 1 506.672 4.750 50 0 KJAAMN CCOc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(Br)cc2)cc1 ZINC000045912811 554313942 /nfs/dbraw/zinc/31/39/42/554313942.db2.gz PGRNFFAACFUIQG-UHFFFAOYSA-N 0 1 515.477 4.843 50 0 KJAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c2=O)cc1 ZINC000046016356 554318852 /nfs/dbraw/zinc/31/88/52/554318852.db2.gz OOPRXWWFZZIIHA-UHFFFAOYSA-N 0 1 506.049 4.638 50 0 KJAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(Cl)ccc3C)[nH]c2=O)cc1 ZINC000046016361 554318838 /nfs/dbraw/zinc/31/88/38/554318838.db2.gz CYIGUZBASUYLOW-UHFFFAOYSA-N 0 1 506.049 4.638 50 0 KJAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)cc3Cl)[nH]c2=O)cc1 ZINC000046016374 554318824 /nfs/dbraw/zinc/31/88/24/554318824.db2.gz MXHDUUPXOOANMS-UHFFFAOYSA-N 0 1 506.049 4.638 50 0 KJAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(Cl)c3C)[nH]c2=O)cc1 ZINC000046016380 554318750 /nfs/dbraw/zinc/31/87/50/554318750.db2.gz FHLVBBCNJPONPH-UHFFFAOYSA-N 0 1 506.049 4.638 50 0 KJAAMN O=S1(=O)N[C@@]2(CN1CC(F)(F)F)[C@@H]1CC[C@H]2Cc2cc(/C=C/CN3CCC(C(F)(F)F)CC3)ccc2C1 ZINC000049780562 562681959 /nfs/dbraw/zinc/68/19/59/562681959.db2.gz NKHUILHBYOOZDF-LIORXBOCSA-N 0 1 551.597 4.550 50 0 KJAAMN COc1ccc(S(=O)(=O)N(CCO)c2ccccc2CN(C)C/C=C/c2ccc(Cl)cc2)cc1 ZINC000053246208 554330057 /nfs/dbraw/zinc/33/00/57/554330057.db2.gz LLLQTDSSHZREGW-AATRIKPKSA-N 0 1 501.048 4.681 50 0 aggregator,in-vitro KJAAMN CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000053371675 554347901 /nfs/dbraw/zinc/34/79/01/554347901.db2.gz KNIDSWRBTSFLPK-YMLFONJDSA-N 0 1 522.070 4.881 50 0 KJAAMN CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000053371678 554347883 /nfs/dbraw/zinc/34/78/83/554347883.db2.gz KNIDSWRBTSFLPK-CFCWSMIUSA-N 0 1 522.070 4.881 50 0 KJAAMN COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCCN(C)CC3)N(C/C(Cl)=C/c3ccccc3)C2)cc1 ZINC000055052865 554349969 /nfs/dbraw/zinc/34/99/69/554349969.db2.gz NSHVJKREZHZKMR-QVMJDMRHSA-N 0 1 500.108 4.674 50 0 KJAAMN COc1cc(OC)cc(C(=O)NCCCOc2cccc(CN3CCN(c4cccc(C)c4C)CC3)c2)c1 ZINC000055090921 554350320 /nfs/dbraw/zinc/35/03/20/554350320.db2.gz AXRRPWZUGDFSPE-UHFFFAOYSA-N 0 1 517.670 4.842 50 0 KJAAMN O=C(Cn1cccn1)N1CCCC[C@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055099440 1067163366 /nfs/dbraw/zinc/16/33/66/1067163366.db2.gz WPAMZYXIHVPCNZ-SANMLTNESA-N 0 1 522.093 4.709 50 0 KJAAMN O=C(Cn1cccn1)N1CCCC[C@@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055099441 1067163161 /nfs/dbraw/zinc/16/31/61/1067163161.db2.gz WPAMZYXIHVPCNZ-AREMUKBSSA-N 0 1 522.093 4.709 50 0 KJAAMN Cc1noc(C)c1CC(=O)N1CCC(Oc2ccc(CN3CCN(c4cccc(Cl)c4)CC3)cc2)CC1 ZINC000055166937 554350180 /nfs/dbraw/zinc/35/01/80/554350180.db2.gz CHIGMHCWNZAKMJ-UHFFFAOYSA-N 0 1 523.077 4.880 50 0 KJAAMN COc1ccc(C(=O)NCCCOc2cccc(CN3CCN(c4cccc(C)c4C)CC3)c2)cc1OC ZINC000055182982 1067163400 /nfs/dbraw/zinc/16/34/00/1067163400.db2.gz UKQOSZLREYQHHL-UHFFFAOYSA-N 0 1 517.670 4.842 50 0 KJAAMN Cc1nonc1C(=O)N1CCCC[C@@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055243844 1067163355 /nfs/dbraw/zinc/16/33/55/1067163355.db2.gz LRWLSUFAOFEEAT-XMMPIXPASA-N 0 1 524.065 4.817 50 0 KJAAMN Cc1nonc1C(=O)N1CCCC[C@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055243852 1067163260 /nfs/dbraw/zinc/16/32/60/1067163260.db2.gz LRWLSUFAOFEEAT-DEOSSOPVSA-N 0 1 524.065 4.817 50 0 KJAAMN O=C(c1cnsn1)N1CCCC[C@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055307942 1067163375 /nfs/dbraw/zinc/16/33/75/1067163375.db2.gz WCLFPFXYLSVFEV-QHCPKHFHSA-N 0 1 526.106 4.978 50 0 KJAAMN O=C(c1cnsn1)N1CCCC[C@@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055307949 1067163310 /nfs/dbraw/zinc/16/33/10/1067163310.db2.gz WCLFPFXYLSVFEV-HSZRJFAPSA-N 0 1 526.106 4.978 50 0 KJAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000057110907 554352272 /nfs/dbraw/zinc/35/22/72/554352272.db2.gz ZERZQBDBVILFRX-DARZMLDPSA-N 0 1 512.009 4.917 50 0 KJAAMN Cc1ccc2c(c1C)NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000057111063 554352339 /nfs/dbraw/zinc/35/23/39/554352339.db2.gz VOWQHFSDCCIMFD-BAAZAXTHSA-N 0 1 512.009 4.971 50 0 KJAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2Br)c1 ZINC000057222698 554352730 /nfs/dbraw/zinc/35/27/30/554352730.db2.gz AVOZICOKQQFZDG-UHFFFAOYSA-N 0 1 508.416 4.810 50 0 KJAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000057222701 554352718 /nfs/dbraw/zinc/35/27/18/554352718.db2.gz WAMGCWFWHBLPEJ-UHFFFAOYSA-N 0 1 508.416 4.810 50 0 KJAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 ZINC000057222761 554352783 /nfs/dbraw/zinc/35/27/83/554352783.db2.gz CGSGMVXGVPFTCP-UHFFFAOYSA-N 0 1 508.018 4.775 50 0 KJAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc(Br)c2)c1 ZINC000057222814 554353076 /nfs/dbraw/zinc/35/30/76/554353076.db2.gz MBMVUOCSVGYEJV-UHFFFAOYSA-N 0 1 508.416 4.810 50 0 KJAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2ccc(C(C)C)cc2)c1 ZINC000057222850 554353022 /nfs/dbraw/zinc/35/30/22/554353022.db2.gz LMQHWQYIDMPKNU-UHFFFAOYSA-N 0 1 501.627 4.936 50 0 KJAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000057222940 554353142 /nfs/dbraw/zinc/35/31/42/554353142.db2.gz XVFNUGGJKDFRDK-UHFFFAOYSA-N 0 1 508.018 4.856 50 0 KJAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2ccc(CC)cc2)c1 ZINC000057222997 554353002 /nfs/dbraw/zinc/35/30/02/554353002.db2.gz UTVCRWHEVNKVTM-UHFFFAOYSA-N 0 1 501.627 4.765 50 0 KJAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2ccc(C)cc2C)c1 ZINC000057223001 554353173 /nfs/dbraw/zinc/35/31/73/554353173.db2.gz KNEBVCQQCZJBGF-UHFFFAOYSA-N 0 1 501.627 4.820 50 0 KJAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2ccc(C)c(C)c2)c1 ZINC000057223003 554353102 /nfs/dbraw/zinc/35/31/02/554353102.db2.gz JJZUYTFHJIJLCU-UHFFFAOYSA-N 0 1 501.627 4.820 50 0 KJAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2cccc(C)c2C)c1 ZINC000057223009 554353164 /nfs/dbraw/zinc/35/31/64/554353164.db2.gz PNWMPBZOBWOLLV-UHFFFAOYSA-N 0 1 501.627 4.820 50 0 KJAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2ccccc2Cl)c1 ZINC000057227582 554353134 /nfs/dbraw/zinc/35/31/34/554353134.db2.gz GKDGUIXCSQKOPS-UHFFFAOYSA-N 0 1 508.018 4.856 50 0 KJAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=S)NC(=O)c2cccc(Cl)c2)c1 ZINC000057233533 554353186 /nfs/dbraw/zinc/35/31/86/554353186.db2.gz SJURESJMTLQUOR-UHFFFAOYSA-N 0 1 523.058 4.576 50 0 KJAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=S)NC(=O)c2ccccc2C)c1 ZINC000057233536 554353486 /nfs/dbraw/zinc/35/34/86/554353486.db2.gz XXFNQOLQTWYWPL-UHFFFAOYSA-N 0 1 516.667 4.621 50 0 KJAAMN Cn1c(CCN2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000057264485 554353370 /nfs/dbraw/zinc/35/33/70/554353370.db2.gz DGEVSCAUVOZESG-UHFFFAOYSA-N 0 1 522.024 4.748 50 0 KJAAMN CCn1c2ccccc2c2cc(CN3CCN(c4cccc5c4C(=O)N(C[C@@H]4CCCO4)C5=O)CC3)ccc21 ZINC000059343253 1066488793 /nfs/dbraw/zinc/48/87/93/1066488793.db2.gz KCXKTRFVRAICHP-QHCPKHFHSA-N 0 1 522.649 4.912 50 0 KJAAMN CCn1c2ccccc2c2cc(CN3CCN(c4cccc5c4C(=O)N(C[C@H]4CCCO4)C5=O)CC3)ccc21 ZINC000059343257 1066488866 /nfs/dbraw/zinc/48/88/66/1066488866.db2.gz KCXKTRFVRAICHP-HSZRJFAPSA-N 0 1 522.649 4.912 50 0 KJAAMN O=C(Cc1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000059513595 554400717 /nfs/dbraw/zinc/40/07/17/554400717.db2.gz SYQZTVLPKOJXGL-UHFFFAOYSA-N 0 1 548.112 4.573 50 0 KJAAMN O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1)N1CCN(c2ccccc2)CC1 ZINC000059514970 554401788 /nfs/dbraw/zinc/40/17/88/554401788.db2.gz INQBYHDQLLOXAV-UHFFFAOYSA-N 0 1 535.467 4.832 50 0 KJAAMN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Cn3c(=O)c4cc(N5CCOCC5)ccc4[nH]c3=S)cc2)CC1 ZINC000059515162 554402543 /nfs/dbraw/zinc/40/25/43/554402543.db2.gz UIQPZZDHOYBHGR-UHFFFAOYSA-N 0 1 590.149 4.868 50 0 KJAAMN CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000059522872 554404045 /nfs/dbraw/zinc/40/40/45/554404045.db2.gz HQOADJDXZQQPQN-UHFFFAOYSA-N 0 1 573.741 4.737 50 0 KJAAMN COc1ccccc1N1CCN(C(=O)c2ccc(Cn3c(=O)c4cc(Br)ccc4[nH]c3=S)cc2)CC1 ZINC000059525142 554406143 /nfs/dbraw/zinc/40/61/43/554406143.db2.gz FBUVZOQOWWEZNP-UHFFFAOYSA-N 0 1 565.493 4.841 50 0 KJAAMN O=C(CCCCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)N1CCN(c2ccc(F)cc2)CC1 ZINC000059525145 554406163 /nfs/dbraw/zinc/40/61/63/554406163.db2.gz AFOGERKVCMQSIS-UHFFFAOYSA-N 0 1 533.467 4.870 50 0 KJAAMN O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000059525171 554406176 /nfs/dbraw/zinc/40/61/76/554406176.db2.gz RWQRGZPPNLJVET-UHFFFAOYSA-N 0 1 589.684 4.824 50 0 KJAAMN COc1ccc([C@@H]2[C@H](C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000059525407 554406218 /nfs/dbraw/zinc/40/62/18/554406218.db2.gz PBQFUVYEJDZENJ-FQLXRVMXSA-N 0 1 547.099 4.588 50 0 KJAAMN COc1ccc([C@H]2[C@H](C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000059525411 554406454 /nfs/dbraw/zinc/40/64/54/554406454.db2.gz PBQFUVYEJDZENJ-WDYNHAJCSA-N 0 1 547.099 4.588 50 0 KJAAMN COc1ccc([C@@H]2[C@@H](C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000059525415 554406420 /nfs/dbraw/zinc/40/64/20/554406420.db2.gz PBQFUVYEJDZENJ-URLMMPGGSA-N 0 1 547.099 4.588 50 0 KJAAMN COc1ccc([C@H]2[C@@H](C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000059525419 554406465 /nfs/dbraw/zinc/40/64/65/554406465.db2.gz PBQFUVYEJDZENJ-VMPREFPWSA-N 0 1 547.099 4.588 50 0 KJAAMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2)c(OC)c1 ZINC000059620871 554414501 /nfs/dbraw/zinc/41/45/01/554414501.db2.gz CZCJDXJADDKYGV-UHFFFAOYSA-N 0 1 581.672 4.866 50 0 KJAAMN CCOC(=O)c1sc(NC(=O)CSc2nc(Cc3ccccc3)n[nH]2)c(C(=O)Nc2ccccc2)c1C ZINC000059627226 554415550 /nfs/dbraw/zinc/41/55/50/554415550.db2.gz SJSRELFSJSTVQH-UHFFFAOYSA-N 0 1 535.651 4.925 50 0 KJAAMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2Cl)c1 ZINC000059652622 554420169 /nfs/dbraw/zinc/42/01/69/554420169.db2.gz BJEVREBBZJDMGN-UHFFFAOYSA-N 0 1 548.086 4.794 50 0 KJAAMN COc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2c1 ZINC000060209255 554502968 /nfs/dbraw/zinc/50/29/68/554502968.db2.gz NCVNNCMXHRRQRD-UHFFFAOYSA-N 0 1 550.706 4.655 50 0 KJAAMN CCOc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)sc2c1 ZINC000060209286 554503054 /nfs/dbraw/zinc/50/30/54/554503054.db2.gz NSHOEUGNGVYYNY-UHFFFAOYSA-N 0 1 550.706 4.655 50 0 KJAAMN CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1nc2c(cccc2Cl)s1 ZINC000060209422 554503137 /nfs/dbraw/zinc/50/31/37/554503137.db2.gz FFMUPZRNZQMRKS-UHFFFAOYSA-N 0 1 529.087 4.983 50 0 KJAAMN COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)nc21 ZINC000060209586 554503388 /nfs/dbraw/zinc/50/33/88/554503388.db2.gz CUHQUFKDOJWHTP-UHFFFAOYSA-N 0 1 538.695 4.647 50 0 KJAAMN CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(c3ccc(C)c(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000061954442 554505904 /nfs/dbraw/zinc/50/59/04/554505904.db2.gz QEBRGKUXJSEWSI-GYOFENNSSA-N 0 1 521.617 4.717 50 0 KJAAMN CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(c3cc(C)cc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000061954553 554505795 /nfs/dbraw/zinc/50/57/95/554505795.db2.gz SFJVDJKWVJXRMO-GYOFENNSSA-N 0 1 521.617 4.717 50 0 KJAAMN Cc1cccc2c1NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2cc3ccccc3o2)[C@]12C(=O)Nc1ccccc12 ZINC000061999375 554506300 /nfs/dbraw/zinc/50/63/00/554506300.db2.gz KIFGDSAGXGCPDB-JZMUPVMCSA-N 0 1 503.558 4.756 50 0 biogenic KJAAMN CCOC(=O)c1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(SC)cc2)cc1 ZINC000064557888 554511649 /nfs/dbraw/zinc/51/16/49/554511649.db2.gz FNOYJFLLWLNHMM-JOCHJYFZSA-N 0 1 509.605 4.917 50 0 KJAAMN CCOC(=O)c1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(SC)cc2)cc1 ZINC000064557890 554511747 /nfs/dbraw/zinc/51/17/47/554511747.db2.gz FNOYJFLLWLNHMM-QFIPXVFZSA-N 0 1 509.605 4.917 50 0 KJAAMN CCOC(=O)c1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000064557905 554511635 /nfs/dbraw/zinc/51/16/35/554511635.db2.gz ILMWXHDVVAGJNM-HSZRJFAPSA-N 0 1 507.564 4.593 50 0 KJAAMN CCOC(=O)c1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000064557907 554511674 /nfs/dbraw/zinc/51/16/74/554511674.db2.gz ILMWXHDVVAGJNM-QHCPKHFHSA-N 0 1 507.564 4.593 50 0 KJAAMN COc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000064557928 554511614 /nfs/dbraw/zinc/51/16/14/554511614.db2.gz GFLASHFOVNLCIN-HXUWFJFHSA-N 0 1 500.370 4.789 50 0 KJAAMN COc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000064557930 554511724 /nfs/dbraw/zinc/51/17/24/554511724.db2.gz GFLASHFOVNLCIN-FQEVSTJZSA-N 0 1 500.370 4.789 50 0 KJAAMN O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000066123895 554528505 /nfs/dbraw/zinc/52/85/05/554528505.db2.gz CIXYZNFDMNWESE-UHFFFAOYSA-N 0 1 528.472 4.644 50 0 KJAAMN CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c43)c3sc4ccccc4c32)CC1 ZINC000066252476 554529743 /nfs/dbraw/zinc/52/97/43/554529743.db2.gz FKOYASIKYGJOEG-UHFFFAOYSA-N 0 1 581.742 4.976 50 0 KJAAMN O=C(c1cn2ccccc2n1)N1CCC(Oc2ccc(CN3CCN(c4cccc(Cl)c4)CC3)cc2)CC1 ZINC000067803656 554533792 /nfs/dbraw/zinc/53/37/92/554533792.db2.gz GNKSIWVQDBETPO-UHFFFAOYSA-N 0 1 530.072 4.994 50 0 KJAAMN CC(C)Oc1ccc(C(=O)N[C@H](CNC(=O)CN(C)C)Cc2ccc(-c3cn4cccc([C@H](C)O)c4n3)cc2)cc1Cl ZINC000068151184 554538549 /nfs/dbraw/zinc/53/85/49/554538549.db2.gz WHMXDBPHBVLYRC-OFVILXPXSA-N 0 1 592.140 4.514 50 0 in-vitro KJAAMN Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccnc(N2CCN(C3CC3)CC2)c1 ZINC000068206550 554538371 /nfs/dbraw/zinc/53/83/71/554538371.db2.gz CDJNNOJINJAXPV-UHFFFAOYSA-N 0 1 525.535 4.535 50 0 KJAAMN CC(=O)[C@@H]1C(=C(O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000070681026 553604853 /nfs/dbraw/zinc/60/48/53/553604853.db2.gz AUYJNRMFCZKGOK-KWYVSSJISA-N 0 1 506.558 4.676 50 0 biogenic KJAAMN COc1ccc(OC)c(C(O)=C2[C@@H](C(C)=O)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000070681053 553604845 /nfs/dbraw/zinc/60/48/45/553604845.db2.gz FEKAAKIJUOHKPI-KWYVSSJISA-N 0 1 508.574 4.574 50 0 biogenic KJAAMN COc1ccc(OC)c(C(O)=C2[C@@H](C(C)=O)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000070681162 553604976 /nfs/dbraw/zinc/60/49/76/553604976.db2.gz WULSXBKHHUWZIW-SVYISMGTSA-N 0 1 522.601 4.965 50 0 biogenic KJAAMN CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4cc(C)ccc4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070699063 553615605 /nfs/dbraw/zinc/61/56/05/553615605.db2.gz AWOZPBVCZRXSKJ-NFLLHDQJSA-N 0 1 521.617 4.798 50 0 biogenic KJAAMN Cc1cccc2c1NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070700976 553619918 /nfs/dbraw/zinc/61/99/18/553619918.db2.gz BTTZRLPNQOHRLG-BYSIJJKSSA-N 0 1 542.433 4.772 50 0 biogenic KJAAMN Cc1cccc2c1NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccc(OC(C)C)cc2)[C@@]12c1ccccc1NC2=O ZINC000070701156 553620833 /nfs/dbraw/zinc/62/08/33/553620833.db2.gz BCYGFGJGDNMXCV-BANVDVKSSA-N 0 1 521.617 4.797 50 0 biogenic KJAAMN CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4cccc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070701206 553621190 /nfs/dbraw/zinc/62/11/90/553621190.db2.gz MUMNJMRRHCKHIQ-BANVDVKSSA-N 0 1 521.617 4.798 50 0 biogenic KJAAMN COc1ccc(C(=O)[C@H]2[C@]3(C(=O)Nc4ccccc43)[C@@H]3CCCN3[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000070701415 553621745 /nfs/dbraw/zinc/62/17/45/553621745.db2.gz XEXABDNAKDLJKS-LQBYHZHOSA-N 0 1 558.034 4.680 50 0 biogenic KJAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070706628 553628254 /nfs/dbraw/zinc/62/82/54/553628254.db2.gz YWRRMKCECVYWLV-XZSHTLEFSA-N 0 1 553.018 4.500 50 0 biogenic KJAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070706630 553628278 /nfs/dbraw/zinc/62/82/78/553628278.db2.gz YWRRMKCECVYWLV-GURVGDRESA-N 0 1 553.018 4.500 50 0 biogenic KJAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070706632 553628586 /nfs/dbraw/zinc/62/85/86/553628586.db2.gz YWRRMKCECVYWLV-PCEYSVKOSA-N 0 1 553.018 4.500 50 0 biogenic KJAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)N[C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070706636 553628604 /nfs/dbraw/zinc/62/86/04/553628604.db2.gz YWRRMKCECVYWLV-ZGQJUUMOSA-N 0 1 553.018 4.500 50 0 biogenic KJAAMN CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc5c(nc(C)n5C(C)C)c(F)c4)n3)nc2)CC1 ZINC000072318121 553647436 /nfs/dbraw/zinc/64/74/36/553647436.db2.gz UZWDCWONPYILKI-UHFFFAOYSA-N 0 1 506.605 4.937 50 0 fda KJAAMN Cc1cn(C(C)C)c2cc(-c3ccc(N4CCN(C)CC4)nc3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12 ZINC000072318149 553647428 /nfs/dbraw/zinc/64/74/28/553647428.db2.gz HRDQQHUKUIKFHT-UHFFFAOYSA-N 0 1 526.685 4.580 50 0 in-vitro KJAAMN Cn1cc(-c2cccc(-n3ccc4cc(C5CC5)cc(F)c4c3=O)c2CO)cc(Nc2ccc(N3CCN(C)CC3)cn2)c1=O ZINC000072319591 553647475 /nfs/dbraw/zinc/64/74/75/553647475.db2.gz ZTUJNJAKTLHBEX-UHFFFAOYSA-N 0 1 606.702 4.756 50 0 in-vitro KJAAMN CN1CCN(Cc2cn(-c3ccc(I)cc3)c3ccc(Br)cc23)CC1 ZINC000085389292 553678872 /nfs/dbraw/zinc/67/88/72/553678872.db2.gz DHQCGDCPRGETKV-UHFFFAOYSA-N 0 1 510.217 4.745 50 0 KJAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)c(Cl)c3)[nH]c2=O)cc1 ZINC000085689237 553686403 /nfs/dbraw/zinc/68/64/03/553686403.db2.gz PVXWDYVUTIOSNR-UHFFFAOYSA-N 0 1 510.012 4.881 50 0 KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cc(OC)c(OC(C)=O)c(OC)c2)cc1 ZINC000085875933 553688481 /nfs/dbraw/zinc/68/84/81/553688481.db2.gz YKVMYRXASNYIPJ-SFHVURJKSA-N 0 1 532.501 4.558 50 0 biogenic KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cc(OC)c(OC(C)=O)c(OC)c2)cc1 ZINC000085875936 553688394 /nfs/dbraw/zinc/68/83/94/553688394.db2.gz YKVMYRXASNYIPJ-GOSISDBHSA-N 0 1 532.501 4.558 50 0 biogenic KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(OC)c(OC)c2OC)cc1 ZINC000085876944 553689025 /nfs/dbraw/zinc/68/90/25/553689025.db2.gz GGFMXSAIZQIOFQ-KRWDZBQOSA-N 0 1 504.491 4.641 50 0 biogenic KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(OC)c(OC)c2OC)cc1 ZINC000085876950 553688836 /nfs/dbraw/zinc/68/88/36/553688836.db2.gz GGFMXSAIZQIOFQ-QGZVFWFLSA-N 0 1 504.491 4.641 50 0 biogenic KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000085877319 553689366 /nfs/dbraw/zinc/68/93/66/553689366.db2.gz JFVVQUNXJXHPDR-KRWDZBQOSA-N 0 1 504.491 4.641 50 0 biogenic KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000085877327 553689298 /nfs/dbraw/zinc/68/92/98/553689298.db2.gz JFVVQUNXJXHPDR-QGZVFWFLSA-N 0 1 504.491 4.641 50 0 biogenic KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2coc3ccc(OC)cc3c2=O)cc1 ZINC000085878430 553689665 /nfs/dbraw/zinc/68/96/65/553689665.db2.gz GLZKITASFGBKCS-KRWDZBQOSA-N 0 1 512.470 4.730 50 0 biogenic KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2coc3ccc(OC)cc3c2=O)cc1 ZINC000085878434 553689689 /nfs/dbraw/zinc/68/96/89/553689689.db2.gz GLZKITASFGBKCS-QGZVFWFLSA-N 0 1 512.470 4.730 50 0 biogenic KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cc(OC)c(OC)cc2OC)cc1 ZINC000085879160 553689758 /nfs/dbraw/zinc/68/97/58/553689758.db2.gz AKYLNLHWZLXLBU-KRWDZBQOSA-N 0 1 504.491 4.641 50 0 biogenic KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cc(OC)c(OC)cc2OC)cc1 ZINC000085879165 553689789 /nfs/dbraw/zinc/68/97/89/553689789.db2.gz AKYLNLHWZLXLBU-QGZVFWFLSA-N 0 1 504.491 4.641 50 0 biogenic KJAAMN O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)CN1CCOCC1 ZINC000095742884 553712421 /nfs/dbraw/zinc/71/24/21/553712421.db2.gz XKJCZDUBZTXXJX-CQSZACIVSA-N 0 1 547.085 4.775 50 0 KJAAMN O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)CN1CCOCC1 ZINC000095742886 553712440 /nfs/dbraw/zinc/71/24/40/553712440.db2.gz XKJCZDUBZTXXJX-AWEZNQCLSA-N 0 1 547.085 4.775 50 0 KJAAMN CCOC(=O)c1c2cc(OS(=O)(=O)c3ccc(C)cc3)ccc2n(-c2ccccc2)c1CN1CCN(C)CC1 ZINC000095763200 553713181 /nfs/dbraw/zinc/71/31/81/553713181.db2.gz ASVHIXQPSDYYMK-UHFFFAOYSA-N 0 1 547.677 4.631 50 0 KJAAMN CSCCN1CCN(c2nnc3n2-c2sc(Br)cc2C(c2ccccc2Cl)=NC3)CC1 ZINC000095870369 553714384 /nfs/dbraw/zinc/71/43/84/553714384.db2.gz CTDPRWDUCNFUFK-UHFFFAOYSA-N 0 1 537.940 4.581 50 0 KJAAMN Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1I ZINC000095938056 553715322 /nfs/dbraw/zinc/71/53/22/553715322.db2.gz GQJNOOSFYQAIMI-UHFFFAOYSA-N 0 1 517.333 4.618 50 0 KJAAMN Cn1c2nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n(CCSc3nc4ccccc4s3)c2c(=O)[nH]c1=O ZINC000096019743 553716591 /nfs/dbraw/zinc/71/65/91/553716591.db2.gz JOCCLQSFBDIEJJ-UHFFFAOYSA-N 0 1 609.781 4.737 50 0 KJAAMN Cn1c2nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n(CCSc3nc4ccccc4s3)c2c(=O)n(C)c1=O ZINC000096019870 553716867 /nfs/dbraw/zinc/71/68/67/553716867.db2.gz PIXNNJRTPJHDNG-UHFFFAOYSA-N 0 1 623.808 4.747 50 0 KJAAMN COc1ccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3cc(Br)ccc3Br)c2)cc1 ZINC000096022117 553719593 /nfs/dbraw/zinc/71/95/93/553719593.db2.gz JZFNVNPXMQTUEI-UHFFFAOYSA-N 0 1 576.288 4.822 50 0 KJAAMN CN(C)P(=NC(=S)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)(c1ccncc1)N(C)C ZINC000096022196 553720055 /nfs/dbraw/zinc/72/00/55/553720055.db2.gz SBDDHMHHMMHFQP-UHFFFAOYSA-N 0 1 537.051 4.713 50 0 KJAAMN CCCSc1ccccc1N1CCN(CCCCNC(=O)n2c(=O)[nH]c3ccc(Cl)cc32)CC1 ZINC000096027675 553723568 /nfs/dbraw/zinc/72/35/68/553723568.db2.gz HUYPMHFXMKRVRU-UHFFFAOYSA-N 0 1 502.084 4.645 50 0 KJAAMN COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(=O)cc(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096114234 553724967 /nfs/dbraw/zinc/72/49/67/553724967.db2.gz BLPWODGCKVNVOC-QGZVFWFLSA-N 0 1 506.507 4.592 50 0 biogenic KJAAMN COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(=O)cc(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096114235 553724952 /nfs/dbraw/zinc/72/49/52/553724952.db2.gz BLPWODGCKVNVOC-KRWDZBQOSA-N 0 1 506.507 4.592 50 0 biogenic KJAAMN COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c(=O)cc(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096114492 553724944 /nfs/dbraw/zinc/72/49/44/553724944.db2.gz QNIJAOJFIQFZNC-QGZVFWFLSA-N 0 1 506.507 4.592 50 0 biogenic KJAAMN COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c(=O)cc(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096114493 553724926 /nfs/dbraw/zinc/72/49/26/553724926.db2.gz QNIJAOJFIQFZNC-KRWDZBQOSA-N 0 1 506.507 4.592 50 0 biogenic KJAAMN COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1c(=O)cc(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096114562 553724937 /nfs/dbraw/zinc/72/49/37/553724937.db2.gz HNNWFYXKKDGTBC-QGZVFWFLSA-N 0 1 506.507 4.592 50 0 biogenic KJAAMN COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1c(=O)cc(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096114563 553725020 /nfs/dbraw/zinc/72/50/20/553725020.db2.gz HNNWFYXKKDGTBC-KRWDZBQOSA-N 0 1 506.507 4.592 50 0 biogenic KJAAMN COC(=O)C[C@H](c1coc2ccc(OC)cc2c1=O)c1c(=O)cc(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096116125 553726863 /nfs/dbraw/zinc/72/68/63/553726863.db2.gz USOOJYAIUPMIIB-QGZVFWFLSA-N 0 1 514.486 4.681 50 0 biogenic KJAAMN COC(=O)C[C@@H](c1coc2ccc(OC)cc2c1=O)c1c(=O)cc(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096116126 553726905 /nfs/dbraw/zinc/72/69/05/553726905.db2.gz USOOJYAIUPMIIB-KRWDZBQOSA-N 0 1 514.486 4.681 50 0 biogenic KJAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc4ccccc4c3Br)cc2)n1 ZINC000097940269 553764131 /nfs/dbraw/zinc/76/41/31/553764131.db2.gz MWVQUWJWTZBXHR-UHFFFAOYSA-N 0 1 541.427 4.827 50 0 KJAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(OC)c(Br)c2)c1 ZINC000097945892 553775187 /nfs/dbraw/zinc/77/51/87/553775187.db2.gz SUJBAFHZIUGOII-UHFFFAOYSA-N 0 1 538.442 4.819 50 0 KJAAMN O=C(NCCCN1CCN(CCCNC(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000097947923 553789791 /nfs/dbraw/zinc/78/97/91/553789791.db2.gz MBDLXBJBJHPIAA-UHFFFAOYSA-N 0 1 546.326 4.858 50 0 KJAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=S)NC(=O)c2cccc(C)c2OC)c1 ZINC000097947950 553790001 /nfs/dbraw/zinc/79/00/01/553790001.db2.gz YCPQJKHQFNPIJZ-UHFFFAOYSA-N 0 1 546.693 4.629 50 0 KJAAMN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3cc(Br)ccc3O)n[nH]1)CCCC2 ZINC000097950082 553803438 /nfs/dbraw/zinc/80/34/38/553803438.db2.gz SZXQDSXXSASVMA-UHFFFAOYSA-N 0 1 537.461 4.788 50 0 KJAAMN Cc1c2c(c(C)c(C)c1S(=O)(=O)NC(=[NH2+])NCC[C@H](NC(=O)OCC1c3ccccc3-c3ccccc31)C(=O)[O-])OC(C)(C)C2 ZINC000097950247 553803746 /nfs/dbraw/zinc/80/37/46/553803746.db2.gz HEAUFWFESGQUMX-MHZLTWQESA-N 0 1 634.755 4.510 50 0 KJAAMN Cc1c2c(c(C)c(C)c1S(=O)(=O)NC(=[NH2+])NCCCN(CC(=O)[O-])C(=O)OCC1c3ccccc3-c3ccccc31)OC(C)(C)C2 ZINC000097950249 553803728 /nfs/dbraw/zinc/80/37/28/553803728.db2.gz WPRXLGAEYFYLRJ-UHFFFAOYSA-N 0 1 648.782 4.854 50 0 KJAAMN CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000097952047 553812811 /nfs/dbraw/zinc/81/28/11/553812811.db2.gz IWVSVOIHAUWONF-UHFFFAOYSA-N 0 1 533.854 4.911 50 0 KJAAMN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000097952481 553816086 /nfs/dbraw/zinc/81/60/86/553816086.db2.gz JAHVMYBNTGJNAQ-UHFFFAOYSA-N 0 1 548.562 4.531 50 0 KJAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccc(Cl)cc2)ccc1O ZINC000097954575 553824175 /nfs/dbraw/zinc/82/41/75/553824175.db2.gz CTCQFSBMMNVBBQ-BDTNDASRSA-N 0 1 529.774 4.868 50 0 KJAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000097954811 553825794 /nfs/dbraw/zinc/82/57/94/553825794.db2.gz HWJJTOQXICMKRM-VJGNERBWSA-N 0 1 502.567 4.934 50 0 KJAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000097954811 553825792 /nfs/dbraw/zinc/82/57/92/553825792.db2.gz HWJJTOQXICMKRM-VJGNERBWSA-N 0 1 502.567 4.934 50 0 KJAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000097955277 553830765 /nfs/dbraw/zinc/83/07/65/553830765.db2.gz KNNPXRVDEKMFOZ-XJUOHMSHSA-N 0 1 527.346 4.744 50 0 KJAAMN COc1ccc(-n2[nH]c(Cc3ccc(F)cc3)c(C=C3NC(=O)N(Cc4ccc(F)c(F)c4)C3=O)c2=O)cc1 ZINC000097955949 553835220 /nfs/dbraw/zinc/83/52/20/553835220.db2.gz VFSWOCUDRMRGHK-QFEZKATASA-N 0 1 534.494 4.688 50 0 KJAAMN COc1ccc(-n2[nH]c(Cc3ccc(F)cc3)c(C=C3NC(=O)N(Cc4ccc(F)cc4F)C3=O)c2=O)cc1 ZINC000097955963 553835202 /nfs/dbraw/zinc/83/52/02/553835202.db2.gz XXFMTMSWUMRNLD-QFEZKATASA-N 0 1 534.494 4.688 50 0 KJAAMN COC(=O)c1cccc(CN2C(=O)NC(=Cc3c(Cc4ccccc4C)[nH]n(-c4ccccc4C)c3=O)C2=O)c1 ZINC000097956177 553836698 /nfs/dbraw/zinc/83/66/98/553836698.db2.gz YSCGMZXLKKOACZ-ONUIUJJFSA-N 0 1 536.588 4.665 50 0 KJAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000097958741 553857434 /nfs/dbraw/zinc/85/74/34/553857434.db2.gz FQSLLMZUJFJTRX-VMOHIOPYSA-N 0 1 547.460 4.598 50 0 KJAAMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000097958742 553857477 /nfs/dbraw/zinc/85/74/77/553857477.db2.gz FQSLLMZUJFJTRX-IYMWYRQMSA-N 0 1 547.460 4.598 50 0 KJAAMN Cc1ccc(S(=O)(=O)N(C(=O)NC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2ccc(Cl)cc2)cc1 ZINC000097961167 553875782 /nfs/dbraw/zinc/87/57/82/553875782.db2.gz SJRMTFAVZLYBCK-UHFFFAOYSA-N 0 1 629.120 4.993 50 0 KJAAMN CCOC(=O)C1C(COC(=O)C=Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)=NC(=O)N[C@@H]1c1ccccc1 ZINC000097980012 553984227 /nfs/dbraw/zinc/98/42/27/553984227.db2.gz KUADKSVGYZHGOF-ZUSJUXBOSA-N 0 1 549.027 4.629 50 0 KJAAMN CCOC(=O)C1C(COC(=O)C=Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)=NC(=O)N[C@H]1c1ccccc1 ZINC000097980013 553984268 /nfs/dbraw/zinc/98/42/68/553984268.db2.gz KUADKSVGYZHGOF-BOMYWPOKSA-N 0 1 549.027 4.629 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1N1CCCC1 ZINC000097980131 553985549 /nfs/dbraw/zinc/98/55/49/553985549.db2.gz RCWXBTVUORPWMD-SDNWHVSQSA-N 0 1 567.664 4.774 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc4c(c3)OCO4)C2=O)c1 ZINC000097980448 553988621 /nfs/dbraw/zinc/98/86/21/553988621.db2.gz PMABLQZJMNKAOW-JJIBRWJFSA-N 0 1 569.595 4.865 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ncccc3C)C2=O)c1 ZINC000097980459 553988762 /nfs/dbraw/zinc/98/87/62/553988762.db2.gz UZRUEOLFZNZYBN-MOHJPFBDSA-N 0 1 540.601 4.839 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccccn3)C2=O)c1 ZINC000097980490 553989023 /nfs/dbraw/zinc/98/90/23/553989023.db2.gz GXLGKUZWYKMKNH-NKFKGCMQSA-N 0 1 526.574 4.531 50 0 KJAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=S)Nc3cccc(S(=O)(=O)N(C)C)c3)ccc2Cl)cc1 ZINC000097981349 553993271 /nfs/dbraw/zinc/99/32/71/553993271.db2.gz SMLZXOXAOOILKH-UHFFFAOYSA-N 0 1 569.130 4.599 50 0 KJAAMN CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC[N@@H+]3C[C@H](C)C[C@H](C)C3)ccc2OC)cc1Br ZINC000097981470 553994543 /nfs/dbraw/zinc/99/45/43/553994543.db2.gz HYTIBJVRLWWMOH-HDICACEKSA-N 0 1 568.534 4.964 50 0 KJAAMN CCOc1cc(C(=O)NC(=S)Nc2ccc(OC)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc(OCC)c1OCC ZINC000097982371 554001486 /nfs/dbraw/zinc/00/14/86/554001486.db2.gz RGJJMTRKPOUXLD-UHFFFAOYSA-N 0 1 591.683 4.958 50 0 KJAAMN CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1 ZINC000097982858 554005228 /nfs/dbraw/zinc/00/52/28/554005228.db2.gz FDKXSVPVBFINPV-UHFFFAOYSA-N 0 1 581.672 4.948 50 0 KJAAMN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000097982859 554005154 /nfs/dbraw/zinc/00/51/54/554005154.db2.gz IDJYPXYOTUKANA-UHFFFAOYSA-N 0 1 555.609 4.688 50 0 KJAAMN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3C)c2)cc1 ZINC000097982861 554005744 /nfs/dbraw/zinc/00/57/44/554005744.db2.gz ASGTUCRBHNVEBD-UHFFFAOYSA-N 0 1 569.636 4.997 50 0 KJAAMN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)c(F)c3)c2)cc1 ZINC000097982862 554005636 /nfs/dbraw/zinc/00/56/36/554005636.db2.gz QSFZWEVQDLAKAF-UHFFFAOYSA-N 0 1 573.599 4.827 50 0 KJAAMN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000097982864 554005512 /nfs/dbraw/zinc/00/55/12/554005512.db2.gz BOLKQGCFETYRLL-UHFFFAOYSA-N 0 1 553.584 4.543 50 0 KJAAMN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000097982865 554005569 /nfs/dbraw/zinc/00/55/69/554005569.db2.gz RKOCVVCUGXQROC-UHFFFAOYSA-N 0 1 553.584 4.543 50 0 KJAAMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1C ZINC000097982866 554005673 /nfs/dbraw/zinc/00/56/73/554005673.db2.gz YKZOQRAQJCFEFX-UHFFFAOYSA-N 0 1 541.695 4.758 50 0 KJAAMN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000097982874 554005645 /nfs/dbraw/zinc/00/56/45/554005645.db2.gz KDJACRQHVHIPPJ-UHFFFAOYSA-N 0 1 598.928 4.940 50 0 KJAAMN CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 ZINC000097982876 554005575 /nfs/dbraw/zinc/00/55/75/554005575.db2.gz AUKJEMCDMHHSOF-UHFFFAOYSA-N 0 1 564.085 4.576 50 0 KJAAMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1 ZINC000097982878 554005563 /nfs/dbraw/zinc/00/55/63/554005563.db2.gz DRGMDDAOQIZZEL-UHFFFAOYSA-N 0 1 548.086 4.794 50 0 KJAAMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000097982879 554005548 /nfs/dbraw/zinc/00/55/48/554005548.db2.gz ILZCSGUZLKKPAU-UHFFFAOYSA-N 0 1 552.049 4.625 50 0 KJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)ccc2C)cc1 ZINC000097982887 554005538 /nfs/dbraw/zinc/00/55/38/554005538.db2.gz SYOXOSUQGSZOMB-UHFFFAOYSA-N 0 1 569.636 4.997 50 0 KJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)ccc2N2CCOCC2)cc1 ZINC000097982911 554006118 /nfs/dbraw/zinc/00/61/18/554006118.db2.gz GFKJRTSRUVTLBI-UHFFFAOYSA-N 0 1 640.715 4.525 50 0 KJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3C)ccc2N2CCOCC2)cc1 ZINC000097982912 554006244 /nfs/dbraw/zinc/00/62/44/554006244.db2.gz XRKSZIMPGKNPPT-UHFFFAOYSA-N 0 1 654.742 4.833 50 0 KJAAMN COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000097982918 554006090 /nfs/dbraw/zinc/00/60/90/554006090.db2.gz SFLLWUCFEYIPAU-UHFFFAOYSA-N 0 1 569.636 4.997 50 0 KJAAMN CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000097982931 554006592 /nfs/dbraw/zinc/00/65/92/554006592.db2.gz VFYGDTGLPIDJTI-UHFFFAOYSA-N 0 1 576.716 4.756 50 0 KJAAMN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1cc(C)ccc1C ZINC000097982935 554006716 /nfs/dbraw/zinc/00/67/16/554006716.db2.gz PIXNOPSZIGJAED-UHFFFAOYSA-N 0 1 557.694 4.540 50 0 KJAAMN Nn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000097990108 554028124 /nfs/dbraw/zinc/02/81/24/554028124.db2.gz DZBCNOBLUBETST-UHFFFAOYSA-N 0 1 527.454 4.817 50 0 KJAAMN Cc1cc(NC(=O)CSc2nnc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)n2N)ccc1Br ZINC000097990117 554028130 /nfs/dbraw/zinc/02/81/30/554028130.db2.gz OARSEXQFSFUEIC-UHFFFAOYSA-N 0 1 518.828 4.504 50 0 KJAAMN CCOc1ccc2nc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)[C@@H]3c3ccccc3)[nH]c2c1 ZINC000097994747 554032627 /nfs/dbraw/zinc/03/26/27/554032627.db2.gz JBMKYYKXAQGXTM-AREMUKBSSA-N 0 1 536.679 4.594 50 0 KJAAMN CCOc1ccc2nc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)[C@H]3c3ccccc3)[nH]c2c1 ZINC000097994749 554032648 /nfs/dbraw/zinc/03/26/48/554032648.db2.gz JBMKYYKXAQGXTM-SANMLTNESA-N 0 1 536.679 4.594 50 0 KJAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2ccc(Br)cc2)c1 ZINC000097995645 554036482 /nfs/dbraw/zinc/03/64/82/554036482.db2.gz GATHXPVFDOFDCN-UHFFFAOYSA-N 0 1 538.442 4.575 50 0 KJAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc(Br)ccc2OC)c1 ZINC000097995648 554036388 /nfs/dbraw/zinc/03/63/88/554036388.db2.gz ANGQZZSEULWKQS-UHFFFAOYSA-N 0 1 538.442 4.819 50 0 KJAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2ccc(Br)cc2)c1 ZINC000097995668 554036709 /nfs/dbraw/zinc/03/67/09/554036709.db2.gz GPNHJDWWAFBAPX-UHFFFAOYSA-N 0 1 552.469 4.966 50 0 KJAAMN CC(C)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[nH]2)cc1 ZINC000097999345 554042391 /nfs/dbraw/zinc/04/23/91/554042391.db2.gz NPJUVVWSLCRWOZ-UHFFFAOYSA-N 0 1 522.446 4.632 50 0 KJAAMN CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Br)[nH]c2=O)cc1 ZINC000097999346 554042300 /nfs/dbraw/zinc/04/23/00/554042300.db2.gz IZEWHHILXPZPHW-UHFFFAOYSA-N 0 1 536.473 4.806 50 0 KJAAMN COc1cc(OC)c(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]2)cc1Cl ZINC000097999348 554042375 /nfs/dbraw/zinc/04/23/75/554042375.db2.gz LONHSKJRAYHDKJ-UHFFFAOYSA-N 0 1 552.074 4.714 50 0 KJAAMN CCOC(=O)C1=C(CSc2nc3ccc(OCC)cc3[nH]2)NC(=O)N[C@@H]1c1cc(OCC)ccc1OCC ZINC000098007032 554062610 /nfs/dbraw/zinc/06/26/10/554062610.db2.gz HTBFFPJTYLMVGS-XMMPIXPASA-N 0 1 540.642 4.722 50 0 KJAAMN CCOC(=O)C1=C(CSc2nc3ccc(OCC)cc3[nH]2)NC(=O)N[C@H]1c1cc(OCC)ccc1OCC ZINC000098007033 554062702 /nfs/dbraw/zinc/06/27/02/554062702.db2.gz HTBFFPJTYLMVGS-DEOSSOPVSA-N 0 1 540.642 4.722 50 0 KJAAMN CC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21 ZINC000098007365 554063869 /nfs/dbraw/zinc/06/38/69/554063869.db2.gz SBGUJUZVKRHORC-CFRBSIFHSA-N 0 1 550.442 4.932 50 0 KJAAMN CC(=O)c1c(C)nc2sc3c(nnn(-c4ccc(S(=O)(=O)Nc5ncccn5)cc4)c3=O)c2c1-c1ccc(Cl)cc1 ZINC000098007413 554064123 /nfs/dbraw/zinc/06/41/23/554064123.db2.gz VCYPWFRQNNMZDE-UHFFFAOYSA-N 0 1 604.073 4.813 50 0 KJAAMN CCOc1ccc2nc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)cc3)[nH]c2c1 ZINC000098007983 554065410 /nfs/dbraw/zinc/06/54/10/554065410.db2.gz JNDJOJUUJRBQDB-HHHXNRCGSA-N 0 1 566.705 4.603 50 0 KJAAMN CCOc1ccc2nc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)cc3)[nH]c2c1 ZINC000098007984 554065376 /nfs/dbraw/zinc/06/53/76/554065376.db2.gz JNDJOJUUJRBQDB-MHZLTWQESA-N 0 1 566.705 4.603 50 0 KJAAMN COc1ccc([C@H]2N(C(=O)CSc3nc4ccc(C)cc4[nH]3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000098008215 554066958 /nfs/dbraw/zinc/06/69/58/554066958.db2.gz MIWSKCXEPRDSSE-SANMLTNESA-N 0 1 536.679 4.512 50 0 KJAAMN COc1ccc([C@@H]2N(C(=O)CSc3nc4ccc(C)cc4[nH]3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000098008216 554066978 /nfs/dbraw/zinc/06/69/78/554066978.db2.gz MIWSKCXEPRDSSE-AREMUKBSSA-N 0 1 536.679 4.512 50 0 KJAAMN CCOC(=O)C1C(CN(Cc2ccc3c(c2)OCO3)C(=O)c2ccc(C(F)(F)F)cc2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000098008900 554067801 /nfs/dbraw/zinc/06/78/01/554067801.db2.gz YSSBKBOYOWRACU-HHHXNRCGSA-N 0 1 611.573 4.956 50 0 KJAAMN CCOC(=O)C1C(CN(Cc2ccc3c(c2)OCO3)C(=O)c2ccc(C(F)(F)F)cc2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000098008901 554067914 /nfs/dbraw/zinc/06/79/14/554067914.db2.gz YSSBKBOYOWRACU-MHZLTWQESA-N 0 1 611.573 4.956 50 0 KJAAMN CCOC(=O)C1C(CN(CCc2ccc(OC)c(OC)c2)C(=O)Cc2ccc(Cl)cc2)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000098008944 554068190 /nfs/dbraw/zinc/06/81/90/554068190.db2.gz VRINJLDPUGVYLS-WJOKGBTCSA-N 0 1 636.101 4.571 50 0 KJAAMN CCOC(=O)C1C(CN(CCc2ccc(OC)c(OC)c2)C(=O)Cc2ccc(Cl)cc2)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000098008945 554068174 /nfs/dbraw/zinc/06/81/74/554068174.db2.gz VRINJLDPUGVYLS-HKBQPEDESA-N 0 1 636.101 4.571 50 0 KJAAMN COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000098009079 554069313 /nfs/dbraw/zinc/06/93/13/554069313.db2.gz TVMZRSGJEGXXSE-QHCPKHFHSA-N 0 1 566.651 4.771 50 0 KJAAMN COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000098009080 554069383 /nfs/dbraw/zinc/06/93/83/554069383.db2.gz TVMZRSGJEGXXSE-HSZRJFAPSA-N 0 1 566.651 4.771 50 0 KJAAMN CCN1CCN(c2cc(-c3ccccc3)nc(SCc3ccc(C(=O)NCCc4ccccn4)cc3)n2)CC1 ZINC000098015063 554095550 /nfs/dbraw/zinc/09/55/50/554095550.db2.gz UVLCMBIXBGKARD-UHFFFAOYSA-N 0 1 538.721 4.945 50 0 KJAAMN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CSc3nc(-c4ccccc4)cc(N4CCN(CC)CC4)n3)c2)C1 ZINC000098015094 554095835 /nfs/dbraw/zinc/09/58/35/554095835.db2.gz AVKLTEWSQHWXLS-MHZLTWQESA-N 0 1 573.763 4.993 50 0 KJAAMN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(CSc3nc(-c4ccccc4)cc(N4CCN(CC)CC4)n3)c2)C1 ZINC000098015095 554095881 /nfs/dbraw/zinc/09/58/81/554095881.db2.gz AVKLTEWSQHWXLS-HHHXNRCGSA-N 0 1 573.763 4.993 50 0 KJAAMN CCOC(=O)C1CCN(C(=O)c2cccc(CSc3nc(-c4ccccc4)cc(N4CCN(C)CC4)n3)c2)CC1 ZINC000098015105 554095801 /nfs/dbraw/zinc/09/58/01/554095801.db2.gz XGLSVFMLABPCEL-UHFFFAOYSA-N 0 1 559.736 4.603 50 0 KJAAMN O=C(c1ccc(CSc2nc(N3CCN(Cc4ccccc4)CC3)cc(C(F)(F)F)n2)o1)N1CCCC1 ZINC000098015116 554095848 /nfs/dbraw/zinc/09/58/48/554095848.db2.gz 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C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21 ZINC000100164775 554236255 /nfs/dbraw/zinc/23/62/55/554236255.db2.gz SIZOWOMSYOWCDN-DIRMUGNKSA-N 0 1 505.549 4.519 50 0 KJAAMN O=C1[C@@H]2[C@H](C(=O)N1Cc1ccccc1)[C@H](Cc1ccccc1)N[C@@]21c2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000100164855 554236235 /nfs/dbraw/zinc/23/62/35/554236235.db2.gz QNNLWPJUJVOMJH-FJRCWILLSA-N 0 1 545.614 4.584 50 0 KJAAMN Cc1ccc2nc(-c3cc4cc(I)cc(I)c4oc3=O)[nH]c2c1 ZINC000100165070 554236180 /nfs/dbraw/zinc/23/61/80/554236180.db2.gz IBHNNRBNZBGUCX-UHFFFAOYSA-N 0 1 528.087 4.854 50 0 KJAAMN C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000100182346 554241998 /nfs/dbraw/zinc/24/19/98/554241998.db2.gz BSLNTCMTDKFTLK-AFFVTSBVSA-N 0 1 506.389 4.533 50 0 KJAAMN CC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 ZINC000100182354 554242060 /nfs/dbraw/zinc/24/20/60/554242060.db2.gz SBGUJUZVKRHORC-AIKBEYBBSA-N 0 1 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/nfs/dbraw/zinc/57/50/35/554575035.db2.gz BKUHJRPGJCPZEQ-FPOVZHCZSA-N 0 1 525.200 4.994 50 0 KJAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)CC1 ZINC000101081184 554578971 /nfs/dbraw/zinc/57/89/71/554578971.db2.gz QDLPXCFJEWPCRV-UHFFFAOYSA-N 0 1 594.959 4.920 50 0 KJAAMN CC(C)Cn1c(N)c([C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O ZINC000101086925 554580834 /nfs/dbraw/zinc/58/08/34/554580834.db2.gz KREHGENCMPLMBO-AREMUKBSSA-N 0 1 534.060 4.600 50 0 KJAAMN CC(C)Cn1c(N)c([C@H](c2ccc(-c3ccc(Cl)cc3)o2)N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O ZINC000101086926 554580915 /nfs/dbraw/zinc/58/09/15/554580915.db2.gz KREHGENCMPLMBO-SANMLTNESA-N 0 1 534.060 4.600 50 0 KJAAMN COc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101097108 554584878 /nfs/dbraw/zinc/58/48/78/554584878.db2.gz GLCNHWBHNNLGNE-FCEKVYKBSA-N 0 1 520.541 4.966 50 0 KJAAMN O=C(NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCC3)CC2)CC1)c1cccc(Br)c1 ZINC000101099029 554586045 /nfs/dbraw/zinc/58/60/45/554586045.db2.gz DEXUPIXFHNFBIF-UHFFFAOYSA-N 0 1 539.518 4.548 50 0 KJAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101112751 554642118 /nfs/dbraw/zinc/64/21/18/554642118.db2.gz XITPCMNFQGWLBM-PFBJBMPXSA-N 0 1 502.567 4.934 50 0 KJAAMN COc1ccc(OC)c(C(O)=C2[C@@H](C(C)=O)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101120555 554643646 /nfs/dbraw/zinc/64/36/46/554643646.db2.gz WDKOIKGDAKLJBU-KWYVSSJISA-N 0 1 508.574 4.656 50 0 KJAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccc(Cl)cc2)ccc1O ZINC000101142540 554654332 /nfs/dbraw/zinc/65/43/32/554654332.db2.gz CTCQFSBMMNVBBQ-VSKRKVRLSA-N 0 1 529.774 4.868 50 0 KJAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101177505 554665314 /nfs/dbraw/zinc/66/53/14/554665314.db2.gz IFYYYSKSSMBLCP-VJGNERBWSA-N 0 1 502.567 4.934 50 0 KJAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000101177505 554665312 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/nfs/dbraw/zinc/72/91/43/554729143.db2.gz SMTMSRNLNMFOFB-NLJXWPIHSA-N 0 1 549.389 4.782 50 0 KJAAMN O=C(CCN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000101340950 554735451 /nfs/dbraw/zinc/73/54/51/554735451.db2.gz GNYVPMWIYNOREY-PMERELPUSA-N 0 1 563.720 4.911 50 0 KJAAMN O=C(CCN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000101340953 554735234 /nfs/dbraw/zinc/73/52/34/554735234.db2.gz GNYVPMWIYNOREY-SSEXGKCCSA-N 0 1 563.720 4.911 50 0 KJAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341043 554735392 /nfs/dbraw/zinc/73/53/92/554735392.db2.gz RZKGZAIUXHYULW-RXFWQSSRSA-N 0 1 544.142 4.579 50 0 KJAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341046 554735376 /nfs/dbraw/zinc/73/53/76/554735376.db2.gz RZKGZAIUXHYULW-FNZWTVRRSA-N 0 1 544.142 4.579 50 0 KJAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000101341486 554735532 /nfs/dbraw/zinc/73/55/32/554735532.db2.gz MEKPHYJMPOQCOE-WINIVTDRSA-N 0 1 562.132 4.800 50 0 KJAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000101341488 554735735 /nfs/dbraw/zinc/73/57/35/554735735.db2.gz MEKPHYJMPOQCOE-PPHZAIPVSA-N 0 1 562.132 4.800 50 0 KJAAMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)cc2)c(OC)c1 ZINC000101352359 554738539 /nfs/dbraw/zinc/73/85/39/554738539.db2.gz PCWIEKQAWNNHPH-UHFFFAOYSA-N 0 1 595.699 4.890 50 0 KJAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2cccc(Nc3nc4ccccc4n4cnnc34)c2)CC1 ZINC000101360650 554742216 /nfs/dbraw/zinc/74/22/16/554742216.db2.gz YYWBUOMRHLVKMW-UHFFFAOYSA-N 0 1 555.086 4.925 50 0 KJAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3cccc(Nc4nc5ccccc5n5cnnc45)c3)CC2)c1 ZINC000101361641 554743260 /nfs/dbraw/zinc/74/32/60/554743260.db2.gz YAMPILUUQMQHSG-UHFFFAOYSA-N 0 1 534.668 4.580 50 0 KJAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3ccc(Nc4nc5ccccc5n5cnnc45)cc3)CC2)c1 ZINC000101361671 554743248 /nfs/dbraw/zinc/74/32/48/554743248.db2.gz ISIJEWUDRUMCIK-UHFFFAOYSA-N 0 1 534.668 4.580 50 0 KJAAMN Cc1cc(Br)ccc1S(=O)(=O)Nc1cc2c(cc1SCc1ccco1)n(C)c(=O)n2C ZINC000101367668 554743961 /nfs/dbraw/zinc/74/39/61/554743961.db2.gz FNKSPLKYIKUOGE-UHFFFAOYSA-N 0 1 522.446 4.634 50 0 KJAAMN COc1ccc(/C=C2\Sc3ccc(C(=O)NCCCN4CCN(c5ccc(F)cc5)CC4)cc3N(C)C2=O)cc1 ZINC000101373135 554745171 /nfs/dbraw/zinc/74/51/71/554745171.db2.gz GHDKEMFYQPVMGB-BRPDVVIDSA-N 0 1 560.695 4.886 50 0 KJAAMN COc1ccccc1/C=C1/Sc2ccc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)cc2N(C)C1=O ZINC000101373302 554745119 /nfs/dbraw/zinc/74/51/19/554745119.db2.gz VYHNXFNIHSUUBW-XHLNEMQHSA-N 0 1 560.695 4.886 50 0 KJAAMN COc1ccc(/C=C2\Sc3ccc(C(=O)NCCCN4CCN(c5ccc(F)cc5)CC4)cc3N(C)C2=O)cc1OC ZINC000101374074 554745798 /nfs/dbraw/zinc/74/57/98/554745798.db2.gz LKEDKQXGKBSZAP-COEJQBHMSA-N 0 1 590.721 4.895 50 0 KJAAMN COc1cccc(/C=C2\Sc3ccc(C(=O)NCCCN4CCN(c5ccc(F)cc5)CC4)cc3N(C)C2=O)c1 ZINC000101374342 554745791 /nfs/dbraw/zinc/74/57/91/554745791.db2.gz XYQMQVOJCKPBMM-BRPDVVIDSA-N 0 1 560.695 4.886 50 0 KJAAMN O=C1Nc2ccccc2[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 ZINC000101400886 554760125 /nfs/dbraw/zinc/76/01/25/554760125.db2.gz ALNFNBUSPHKOQL-DFIMXKNXSA-N 0 1 531.399 4.642 50 0 KJAAMN O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 ZINC000101400888 554760158 /nfs/dbraw/zinc/76/01/58/554760158.db2.gz ALNFNBUSPHKOQL-IMBSWCNGSA-N 0 1 531.399 4.642 50 0 KJAAMN O=C1Nc2ccccc2[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 ZINC000101400891 554760196 /nfs/dbraw/zinc/76/01/96/554760196.db2.gz ALNFNBUSPHKOQL-QUIZSENMSA-N 0 1 531.399 4.642 50 0 KJAAMN O=C1Nc2ccccc2[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 ZINC000101400895 554760231 /nfs/dbraw/zinc/76/02/31/554760231.db2.gz ALNFNBUSPHKOQL-NLJXWPIHSA-N 0 1 531.399 4.642 50 0 KJAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000101408543 554763240 /nfs/dbraw/zinc/76/32/40/554763240.db2.gz HYLPDWXEGVEDFT-AREMUKBSSA-N 0 1 544.497 4.690 50 0 KJAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000101408544 554763140 /nfs/dbraw/zinc/76/31/40/554763140.db2.gz HYLPDWXEGVEDFT-SANMLTNESA-N 0 1 544.497 4.690 50 0 KJAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)C(=O)N(Cc2cccc(OC(F)(F)F)c2)c2ccccc21 ZINC000101408899 554763160 /nfs/dbraw/zinc/76/31/60/554763160.db2.gz OQLMHAFHGHZHKJ-AREMUKBSSA-N 0 1 560.496 4.570 50 0 KJAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)C(=O)N(Cc2cccc(OC(F)(F)F)c2)c2ccccc21 ZINC000101408901 554763220 /nfs/dbraw/zinc/76/32/20/554763220.db2.gz OQLMHAFHGHZHKJ-SANMLTNESA-N 0 1 560.496 4.570 50 0 KJAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000101409263 554763243 /nfs/dbraw/zinc/76/32/43/554763243.db2.gz RSZIVKKRGRUWEE-AREMUKBSSA-N 0 1 560.496 4.570 50 0 KJAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000101409264 554763146 /nfs/dbraw/zinc/76/31/46/554763146.db2.gz RSZIVKKRGRUWEE-SANMLTNESA-N 0 1 560.496 4.570 50 0 KJAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)C(=O)N(Cc2ccccc2)c2c1cc(Cl)cc2Cl ZINC000101410146 554763371 /nfs/dbraw/zinc/76/33/71/554763371.db2.gz BPICULSNKWNMRZ-AREMUKBSSA-N 0 1 545.390 4.978 50 0 KJAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)C(=O)N(Cc2ccccc2)c2c1cc(Cl)cc2Cl ZINC000101410147 554763760 /nfs/dbraw/zinc/76/37/60/554763760.db2.gz BPICULSNKWNMRZ-SANMLTNESA-N 0 1 545.390 4.978 50 0 KJAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)C(=O)N(CC(C)C)c2c1cc(Cl)cc2Br ZINC000101411829 554763925 /nfs/dbraw/zinc/76/39/25/554763925.db2.gz YTXPRXPOFMOMIF-HSZRJFAPSA-N 0 1 555.824 4.543 50 0 KJAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)C(=O)N(CC(C)C)c2c1cc(Cl)cc2Br ZINC000101411831 554763919 /nfs/dbraw/zinc/76/39/19/554763919.db2.gz YTXPRXPOFMOMIF-QHCPKHFHSA-N 0 1 555.824 4.543 50 0 KJAAMN COc1ccc(-n2nc(C(=O)Nc3ccccc3N3CCN(C)CC3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101415339 554764477 /nfs/dbraw/zinc/76/44/77/554764477.db2.gz BFSMKGNUTQFDOY-UHFFFAOYSA-N 0 1 557.054 4.544 50 0 KJAAMN COc1ccc(-n2nc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101441130 554773395 /nfs/dbraw/zinc/77/33/95/554773395.db2.gz JGKDZZMWAXYDDQ-UHFFFAOYSA-N 0 1 603.098 4.621 50 0 KJAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000101456372 554777353 /nfs/dbraw/zinc/77/73/53/554777353.db2.gz NRMJZGIXEZHIEK-UHFFFAOYSA-N 0 1 629.182 4.881 50 0 KJAAMN COc1ccccc1-c1cc2nc(C)c(CCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c(C)n2n1 ZINC000101464696 554780122 /nfs/dbraw/zinc/78/01/22/554780122.db2.gz SLSAXUKNOUZFKW-UHFFFAOYSA-N 0 1 561.130 4.936 50 0 KJAAMN CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C(F)(F)F)[nH]c2=O)cc1 ZINC000101511871 554793071 /nfs/dbraw/zinc/79/30/71/554793071.db2.gz ZEAOZYVSVNDAAL-UHFFFAOYSA-N 0 1 525.574 4.650 50 0 KJAAMN O=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000101517676 554793862 /nfs/dbraw/zinc/79/38/62/554793862.db2.gz VWXKOQMSGFDBGP-XMMPIXPASA-N 0 1 509.528 4.624 50 0 KJAAMN Cc1c(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)oc2c1-c1nn(Cc3ccc(C)cc3)cc1CC2 ZINC000101588647 554801629 /nfs/dbraw/zinc/80/16/29/554801629.db2.gz UDKPUJXXIZDBJJ-UHFFFAOYSA-N 0 1 541.671 4.988 50 0 KJAAMN COc1ccc(-n2cc(C(=O)NCCCN3CCN(c4cc(Cl)ccc4C)CC3)c3ccccc3c2=O)cc1 ZINC000101617516 554806452 /nfs/dbraw/zinc/80/64/52/554806452.db2.gz MAEALHDNDWYJTO-UHFFFAOYSA-N 0 1 545.083 4.903 50 0 KJAAMN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCN(c3cc(C)ccc3C)CC2)[C@H]1c1cccs1 ZINC000101617720 554806386 /nfs/dbraw/zinc/80/63/86/554806386.db2.gz LBSAPWVATAANLU-LOYHVIPDSA-N 0 1 560.764 4.621 50 0 KJAAMN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCN(c3cc(C)ccc3C)CC2)[C@H]1c1cccs1 ZINC000101617723 554806434 /nfs/dbraw/zinc/80/64/34/554806434.db2.gz LBSAPWVATAANLU-XZWHSSHBSA-N 0 1 560.764 4.621 50 0 KJAAMN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCN(c3cc(C)ccc3C)CC2)[C@@H]1c1cccs1 ZINC000101617727 554806424 /nfs/dbraw/zinc/80/64/24/554806424.db2.gz LBSAPWVATAANLU-IHLOFXLRSA-N 0 1 560.764 4.621 50 0 KJAAMN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCN(c3cc(C)ccc3C)CC2)[C@@H]1c1cccs1 ZINC000101617731 554806448 /nfs/dbraw/zinc/80/64/48/554806448.db2.gz LBSAPWVATAANLU-KYJUHHDHSA-N 0 1 560.764 4.621 50 0 KJAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000101618391 554806681 /nfs/dbraw/zinc/80/66/81/554806681.db2.gz DMJCBXMYMJHUSH-KAYWLYCHSA-N 0 1 537.129 4.949 50 0 KJAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000101618394 554806694 /nfs/dbraw/zinc/80/66/94/554806694.db2.gz DMJCBXMYMJHUSH-RRPNLBNLSA-N 0 1 537.129 4.949 50 0 KJAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000101618397 554806640 /nfs/dbraw/zinc/80/66/40/554806640.db2.gz DMJCBXMYMJHUSH-SXOMAYOGSA-N 0 1 537.129 4.949 50 0 KJAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000101618399 554806705 /nfs/dbraw/zinc/80/67/05/554806705.db2.gz DMJCBXMYMJHUSH-SVBPBHIXSA-N 0 1 537.129 4.949 50 0 KJAAMN O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000101632398 554812041 /nfs/dbraw/zinc/81/20/41/554812041.db2.gz KEMQPALGGJCUHQ-VFCFBJKWSA-N 0 1 549.046 4.574 50 0 KJAAMN O=C(CN1C(=O)/C(=C\c2ccccc2F)Oc2ccccc21)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000101636090 554812883 /nfs/dbraw/zinc/81/28/83/554812883.db2.gz PLQOUTYZWCXFNC-TURZUDJPSA-N 0 1 549.046 4.574 50 0 KJAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000101637695 554813675 /nfs/dbraw/zinc/81/36/75/554813675.db2.gz YPHHTXBWTNDBGW-UHFFFAOYSA-N 0 1 629.182 4.881 50 0 KJAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000101671617 554825134 /nfs/dbraw/zinc/82/51/34/554825134.db2.gz YZUYFDBAUXUNHL-VWPQPMDRSA-N 0 1 574.225 4.977 50 0 KJAAMN Cc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000101688664 554830204 /nfs/dbraw/zinc/83/02/04/554830204.db2.gz VMAWBTWYEKRUKI-ANYBSYGZSA-N 0 1 544.696 4.942 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@H](O)COCc1ccccc1 ZINC000101740470 554834015 /nfs/dbraw/zinc/83/40/15/554834015.db2.gz ISOZENFDVPJHPA-AHWVRZQESA-N 0 1 538.710 4.551 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000101740477 554833984 /nfs/dbraw/zinc/83/39/84/554833984.db2.gz ISOZENFDVPJHPA-RSXGOPAZSA-N 0 1 538.710 4.551 50 0 KJAAMN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CSc3nc(N4CCN(CC)CC4)cc(C(C)(C)C)n3)cc2)C1 ZINC000101755109 554835784 /nfs/dbraw/zinc/83/57/84/554835784.db2.gz QLMFUNJTTWBWKB-DEOSSOPVSA-N 0 1 553.773 4.624 50 0 KJAAMN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CSc3nc(N4CCN(CC)CC4)cc(C(C)(C)C)n3)cc2)C1 ZINC000101755114 554835826 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Cc1ccc(C(=O)N(CCN2CCCC2)CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(F)cc2)cc1 ZINC000102679304 555005116 /nfs/dbraw/zinc/00/51/16/555005116.db2.gz UTZWHAGATRHTIQ-MHZLTWQESA-N 0 1 535.685 4.939 50 0 KJAAMN Cc1ccc(C(=O)N(CCN2CCCC2)CC(=O)N2CCc3sccc3[C@H]2COc2ccc(F)cc2)cc1 ZINC000102679306 555005089 /nfs/dbraw/zinc/00/50/89/555005089.db2.gz UTZWHAGATRHTIQ-HHHXNRCGSA-N 0 1 535.685 4.939 50 0 KJAAMN O=C(CN(CCN1CCCC1)C(=O)c1ccccc1F)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000102679342 555005142 /nfs/dbraw/zinc/00/51/42/555005142.db2.gz HLFNTQQRULHIKN-SANMLTNESA-N 0 1 539.648 4.769 50 0 KJAAMN O=C(CN(CCN1CCCC1)C(=O)c1ccccc1F)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000102679344 555005061 /nfs/dbraw/zinc/00/50/61/555005061.db2.gz HLFNTQQRULHIKN-AREMUKBSSA-N 0 1 539.648 4.769 50 0 KJAAMN O=C(CN(CCN1CCCC1)C(=O)c1ccc(F)cc1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000102679478 555005040 /nfs/dbraw/zinc/00/50/40/555005040.db2.gz TWZOECDUFZKQDT-SANMLTNESA-N 0 1 539.648 4.769 50 0 KJAAMN O=C(CN(CCN1CCCC1)C(=O)c1ccc(F)cc1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000102679480 555005099 /nfs/dbraw/zinc/00/50/99/555005099.db2.gz TWZOECDUFZKQDT-AREMUKBSSA-N 0 1 539.648 4.769 50 0 KJAAMN O=C(NCc1nc(-c2ccccc2)cs1)c1ccc(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O ZINC000102683084 1066225318 /nfs/dbraw/zinc/22/53/18/1066225318.db2.gz CMUXSRGYQZCLHJ-UHFFFAOYSA-N 0 1 568.621 4.931 50 0 KJAAMN CN(Cc1cccs1)Cc1cccc(OCCN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102683119 1066225174 /nfs/dbraw/zinc/22/51/74/1066225174.db2.gz IDORAMKJPVDHKA-UHFFFAOYSA-N 0 1 553.672 4.784 50 0 KJAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)COCc1ccccc1 ZINC000102685722 555006875 /nfs/dbraw/zinc/00/68/75/555006875.db2.gz ORJWKIYMQSHCAJ-RCRUUEGKSA-N 0 1 535.685 4.501 50 0 KJAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)COCc1ccccc1 ZINC000102685725 555006913 /nfs/dbraw/zinc/00/69/13/555006913.db2.gz ORJWKIYMQSHCAJ-CHJDUVSTSA-N 0 1 535.685 4.501 50 0 KJAAMN 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CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000102743937 555035035 /nfs/dbraw/zinc/03/50/35/555035035.db2.gz XITPCMNFQGWLBM-ZONZVBGPSA-N 0 1 502.567 4.934 50 0 KJAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccc(Cl)cc2)ccc1O ZINC000102751856 555044834 /nfs/dbraw/zinc/04/48/34/555044834.db2.gz CTCQFSBMMNVBBQ-YPAWHYETSA-N 0 1 529.774 4.868 50 0 KJAAMN O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1 ZINC000102753439 555045462 /nfs/dbraw/zinc/04/54/62/555045462.db2.gz CMAVQFJJHBXACI-UHFFFAOYSA-N 0 1 610.553 4.951 50 0 KJAAMN O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[n-]c2c1 ZINC000102753721 555045699 /nfs/dbraw/zinc/04/56/99/555045699.db2.gz QWJRTVSWOICPCH-UHFFFAOYSA-N 0 1 566.102 4.842 50 0 KJAAMN O=C(CCCCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000102753880 555045646 /nfs/dbraw/zinc/04/56/46/555045646.db2.gz DTIOJZYYERTQFA-UHFFFAOYSA-N 0 1 590.563 4.850 50 0 KJAAMN C[C@@H]1C[C@H](C(=O)Oc2ccc([C@@H]3c4c(O)n(-c5ccc(Cl)c(Cl)c5)c(O)c4ON3c3ccccc3)cc2)N(C)N1 ZINC000102754619 555046256 /nfs/dbraw/zinc/04/62/56/555046256.db2.gz PJAHPKZIAHIBAP-CADFFAPMSA-N 0 1 581.456 4.547 50 0 KJAAMN Cc1ccc(Cl)cc1N1CCN(C(=O)CCCCCn2c(=O)c3cc(N4CCOCC4)ccc3[nH]c2=S)CC1 ZINC000102755617 555047844 /nfs/dbraw/zinc/04/78/44/555047844.db2.gz ODZOWGLZZYIFJF-UHFFFAOYSA-N 0 1 570.159 4.767 50 0 KJAAMN O=C(c1ccc(Cn2c(=O)c3cc(N4CCOCC4)ccc3[nH]c2=S)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000102755899 555048558 /nfs/dbraw/zinc/04/85/58/555048558.db2.gz WUAINIPEHBLOFH-UHFFFAOYSA-N 0 1 576.122 4.560 50 0 KJAAMN O=C(NCc1ccccc1Cl)c1ccc(Cn2c(=O)c3cc(N4CCOCC4)ccc3[nH]c2=S)cc1 ZINC000102756200 555048747 /nfs/dbraw/zinc/04/87/47/555048747.db2.gz NCHJVVAJDUZKER-UHFFFAOYSA-N 0 1 521.042 4.527 50 0 KJAAMN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102757453 555049969 /nfs/dbraw/zinc/04/99/69/555049969.db2.gz HWJJTOQXICMKRM-ZONZVBGPSA-N 0 1 502.567 4.934 50 0 KJAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000102757453 555049965 /nfs/dbraw/zinc/04/99/65/555049965.db2.gz HWJJTOQXICMKRM-ZONZVBGPSA-N 0 1 502.567 4.934 50 0 KJAAMN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000102758731 555050702 /nfs/dbraw/zinc/05/07/02/555050702.db2.gz IFYYYSKSSMBLCP-ZONZVBGPSA-N 0 1 502.567 4.934 50 0 KJAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000102758731 555050701 /nfs/dbraw/zinc/05/07/01/555050701.db2.gz IFYYYSKSSMBLCP-ZONZVBGPSA-N 0 1 502.567 4.934 50 0 KJAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000102759451 555051620 /nfs/dbraw/zinc/05/16/20/555051620.db2.gz KRMNBXYOSFJGGX-CQOQZXRMSA-N 0 1 523.383 4.913 50 0 KJAAMN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(OCC)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000102759568 555051584 /nfs/dbraw/zinc/05/15/84/555051584.db2.gz YRKQSZPBURBSRY-ZONZVBGPSA-N 0 1 502.567 4.934 50 0 KJAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(OCC)c4)c(O)c3ON2c2ccccc2)cc1OC ZINC000102759568 555051582 /nfs/dbraw/zinc/05/15/82/555051582.db2.gz YRKQSZPBURBSRY-ZONZVBGPSA-N 0 1 502.567 4.934 50 0 KJAAMN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102762878 555053247 /nfs/dbraw/zinc/05/32/47/555053247.db2.gz YDNHMQNYNWAOBK-ZONZVBGPSA-N 0 1 502.567 4.934 50 0 KJAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(OC)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000102762878 555053245 /nfs/dbraw/zinc/05/32/45/555053245.db2.gz YDNHMQNYNWAOBK-ZONZVBGPSA-N 0 1 502.567 4.934 50 0 KJAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000102765884 555054980 /nfs/dbraw/zinc/05/49/80/555054980.db2.gz XBBIEGFKVNGMRY-QZNHQXDQSA-N 0 1 509.356 4.523 50 0 KJAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000102765889 555054985 /nfs/dbraw/zinc/05/49/85/555054985.db2.gz XBBIEGFKVNGMRY-MQSCRBSSSA-N 0 1 509.356 4.523 50 0 KJAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000102766615 555055284 /nfs/dbraw/zinc/05/52/84/555055284.db2.gz KNNPXRVDEKMFOZ-MQSCRBSSSA-N 0 1 527.346 4.744 50 0 KJAAMN C[C@H](C(=O)NCCCN1CCN(c2ccc(F)cc2)CC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000102768262 555055814 /nfs/dbraw/zinc/05/58/14/555055814.db2.gz VJOAJAPWTQKWTR-PZGXJGMVSA-N 0 1 564.702 4.937 50 0 KJAAMN C[C@@H](C(=O)NCCCN1CCN(c2ccc(F)cc2)CC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000102768265 555055859 /nfs/dbraw/zinc/05/58/59/555055859.db2.gz VJOAJAPWTQKWTR-KPURRNSFSA-N 0 1 564.702 4.937 50 0 KJAAMN C[C@H](C(=O)NCCCN1CCN(c2ccc(F)cc2)CC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000102768267 555056123 /nfs/dbraw/zinc/05/61/23/555056123.db2.gz VJOAJAPWTQKWTR-ZTOMLWHTSA-N 0 1 564.702 4.937 50 0 KJAAMN C[C@@H](C(=O)NCCCN1CCN(c2ccc(F)cc2)CC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000102768268 555056201 /nfs/dbraw/zinc/05/62/01/555056201.db2.gz VJOAJAPWTQKWTR-MNNSJKJDSA-N 0 1 564.702 4.937 50 0 KJAAMN CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2(c3ccc(C)c(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000102769471 555056972 /nfs/dbraw/zinc/05/69/72/555056972.db2.gz QEBRGKUXJSEWSI-XGRPBWIBSA-N 0 1 521.617 4.717 50 0 KJAAMN CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2(c3cc(C)cc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000102770106 555057481 /nfs/dbraw/zinc/05/74/81/555057481.db2.gz SFJVDJKWVJXRMO-XGRPBWIBSA-N 0 1 521.617 4.717 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 ZINC000102777942 555063809 /nfs/dbraw/zinc/06/38/09/555063809.db2.gz OKOGBDPGQIWSPE-SANMLTNESA-N 0 1 590.057 4.995 50 0 KJAAMN Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000102830598 555078439 /nfs/dbraw/zinc/07/84/39/555078439.db2.gz WZDMLXZRJHHCEE-UHFFFAOYSA-N 0 1 545.149 4.702 50 0 KJAAMN COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)c1ccccc1Br ZINC000102832061 555079145 /nfs/dbraw/zinc/07/91/45/555079145.db2.gz RFDZJQZTIVKEMC-UHFFFAOYSA-N 0 1 558.496 4.513 50 0 KJAAMN CCN1CCN(c2c(CN(CCOC)C(=O)c3ccccc3Br)c(C)nn2-c2cccc(F)c2)CC1 ZINC000102832206 555079125 /nfs/dbraw/zinc/07/91/25/555079125.db2.gz LEPKFUCLLVDZIV-UHFFFAOYSA-N 0 1 558.496 4.513 50 0 KJAAMN CCN1CCN(c2c(CN(CCOC)C(=O)c3cccc(Br)c3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000102832217 555079150 /nfs/dbraw/zinc/07/91/50/555079150.db2.gz HJSVJYPBSKZKBY-UHFFFAOYSA-N 0 1 558.496 4.513 50 0 KJAAMN CCN1CCN(c2c(CN(CCCOC)C(=O)c3ccccc3Br)c(C)nn2-c2ccccc2)CC1 ZINC000102832652 555079339 /nfs/dbraw/zinc/07/93/39/555079339.db2.gz HLBHSXSXDOZILE-UHFFFAOYSA-N 0 1 554.533 4.764 50 0 KJAAMN CCN1CCN(c2c(CN(CCCOC)C(=O)c3cccc(Br)c3)c(C)nn2-c2ccccc2)CC1 ZINC000102832688 555079268 /nfs/dbraw/zinc/07/92/68/555079268.db2.gz DWIGNLBVTREWID-UHFFFAOYSA-N 0 1 554.533 4.764 50 0 KJAAMN O=C(CCN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000102843918 555084172 /nfs/dbraw/zinc/08/41/72/555084172.db2.gz VXCBPNYFJLUKMT-AREMUKBSSA-N 0 1 556.501 4.972 50 0 KJAAMN O=C(CCN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000102843920 555084185 /nfs/dbraw/zinc/08/41/85/555084185.db2.gz VXCBPNYFJLUKMT-SANMLTNESA-N 0 1 556.501 4.972 50 0 KJAAMN O=S(=O)(c1ccc(Cl)c(Nc2nnc(CSc3nc4ccccc4s3)s2)c1)N1CCOCC1 ZINC000102878503 555107863 /nfs/dbraw/zinc/10/78/63/555107863.db2.gz XSIATDOZMDJOEQ-UHFFFAOYSA-N 0 1 540.117 4.858 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccccc3O)C2=O)c1 ZINC000102889142 555123121 /nfs/dbraw/zinc/12/31/21/555123121.db2.gz QJFFLUBHTVLVLH-NKFKGCMQSA-N 0 1 541.585 4.842 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3cccc(O)c3)C2=O)c1 ZINC000102889146 555123094 /nfs/dbraw/zinc/12/30/94/555123094.db2.gz VBCZNONIPGHUCD-BWAHOGKJSA-N 0 1 541.585 4.842 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(O)cc3)C2=O)c1 ZINC000102889151 555123150 /nfs/dbraw/zinc/12/31/50/555123150.db2.gz BFLDYWHAIHDMAW-BWAHOGKJSA-N 0 1 541.585 4.842 50 0 KJAAMN Nc1cccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c1 ZINC000102933746 555160848 /nfs/dbraw/zinc/16/08/48/555160848.db2.gz HBIWJLBHAQAURO-VWLOTQADSA-N 0 1 579.034 4.851 50 0 KJAAMN Nc1cccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c1 ZINC000102933749 555160828 /nfs/dbraw/zinc/16/08/28/555160828.db2.gz HBIWJLBHAQAURO-RUZDIDTESA-N 0 1 579.034 4.851 50 0 KJAAMN COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)OCC(=O)Nc3ccc(F)c(F)c3F)ccc2C)cc1Cl ZINC000102934304 555161516 /nfs/dbraw/zinc/16/15/16/555161516.db2.gz ORDMJMSABPOIFR-UHFFFAOYSA-N 0 1 572.945 4.679 50 0 KJAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)c1 ZINC000102935822 555163225 /nfs/dbraw/zinc/16/32/25/555163225.db2.gz IKDAFJMIZJVAKN-KGENOOAVSA-N 0 1 578.093 4.677 50 0 KJAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCCN2C(=O)S/C(=C\c3cccs3)C2=O)c1 ZINC000102935826 1066514240 /nfs/dbraw/zinc/51/42/40/1066514240.db2.gz IKDAFJMIZJVAKN-STZFKDTASA-N 0 1 578.093 4.677 50 0 KJAAMN CCCCNc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000102938034 555166142 /nfs/dbraw/zinc/16/61/42/555166142.db2.gz NGYOSDNTEXNDNN-UHFFFAOYSA-N 0 1 558.726 4.833 50 0 KJAAMN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4ccccc4OC)c3)c2)cc1 ZINC000102955853 555173652 /nfs/dbraw/zinc/17/36/52/555173652.db2.gz GMBOUEVIWMAISR-UHFFFAOYSA-N 0 1 581.672 4.866 50 0 KJAAMN CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000102958019 555174432 /nfs/dbraw/zinc/17/44/32/555174432.db2.gz OMFBMZDQFMIRGG-UHFFFAOYSA-N 0 1 562.614 4.830 50 0 KJAAMN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000102958366 555174711 /nfs/dbraw/zinc/17/47/11/555174711.db2.gz PEKDNJQYTGRONA-UHFFFAOYSA-N 0 1 604.921 4.721 50 0 KJAAMN CCOC(=O)C1=C(NS(=O)(=O)c2cc(Br)ccc2Br)Nc2ccccc2N=C1CC ZINC000102972196 555182214 /nfs/dbraw/zinc/18/22/14/555182214.db2.gz QFYXISPPBHKROT-UHFFFAOYSA-N 0 1 557.264 4.873 50 0 KJAAMN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000102972457 555182200 /nfs/dbraw/zinc/18/22/00/555182200.db2.gz YHLGJSOLIBIHAX-UHFFFAOYSA-N 0 1 576.018 4.797 50 0 KJAAMN CCOc1ccc(S(=O)(=O)Nc2ccc(N(CC)CC)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1 ZINC000102972540 555182540 /nfs/dbraw/zinc/18/25/40/555182540.db2.gz VCIFMPJZDXRCER-UHFFFAOYSA-N 0 1 533.672 4.542 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)ccc1N1CCOCC1 ZINC000102972747 555182880 /nfs/dbraw/zinc/18/28/80/555182880.db2.gz QTATZQLHYZEYJX-UHFFFAOYSA-N 0 1 573.737 4.739 50 0 KJAAMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000102974549 555184033 /nfs/dbraw/zinc/18/40/33/555184033.db2.gz BOVZYJBPYIXOOF-UHFFFAOYSA-N 0 1 554.477 4.831 50 0 KJAAMN COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)ccc2C)cc1Cl ZINC000102975379 555185341 /nfs/dbraw/zinc/18/53/41/555185341.db2.gz DMKHDIAQGNMQLT-INIZCTEOSA-N 0 1 590.054 4.609 50 0 KJAAMN 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COc1ccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)ccc2OC)cc1Br ZINC000102992878 555193354 /nfs/dbraw/zinc/19/33/54/555193354.db2.gz QGTXOAHEZPXTTP-UHFFFAOYSA-N 0 1 617.305 4.942 50 0 KJAAMN COc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000102994132 555194138 /nfs/dbraw/zinc/19/41/38/555194138.db2.gz WGFNDTNEXQQREQ-UHFFFAOYSA-N 0 1 530.986 4.522 50 0 KJAAMN CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 ZINC000102994147 555194131 /nfs/dbraw/zinc/19/41/31/555194131.db2.gz PRCXGXPMTZUPOD-UHFFFAOYSA-N 0 1 570.064 4.571 50 0 KJAAMN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)ccc1C ZINC000102994154 555194149 /nfs/dbraw/zinc/19/41/49/555194149.db2.gz NMORHYHFUMFCHX-UHFFFAOYSA-N 0 1 566.101 4.741 50 0 KJAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H](NC(=O)c3ccccc3OCC)C(C)C)ccc2OC)cc1 ZINC000102994210 555194109 /nfs/dbraw/zinc/19/41/09/555194109.db2.gz MHROTJDWGLGGRV-HHHXNRCGSA-N 0 1 569.680 4.687 50 0 KJAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H](NC(=O)c3ccccc3OCC)C(C)C)ccc2OC)cc1 ZINC000102994212 555194185 /nfs/dbraw/zinc/19/41/85/555194185.db2.gz MHROTJDWGLGGRV-MHZLTWQESA-N 0 1 569.680 4.687 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CSc2cc(C)ccc2C)ccc1N1CCOCC1 ZINC000102998152 555197463 /nfs/dbraw/zinc/19/74/63/555197463.db2.gz FQROPHGCWUNMLI-UHFFFAOYSA-N 0 1 541.695 4.680 50 0 KJAAMN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000102998802 555198017 /nfs/dbraw/zinc/19/80/17/555198017.db2.gz OKSYPAJKDADDLJ-UHFFFAOYSA-N 0 1 532.405 4.809 50 0 KJAAMN O=C(CNC(=O)c1ccccc1OC(F)F)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000102998805 555198052 /nfs/dbraw/zinc/19/80/52/555198052.db2.gz SUOVFZFSTXZTNP-UHFFFAOYSA-N 0 1 544.363 4.764 50 0 KJAAMN COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2C)cc1Cl ZINC000102999497 555199224 /nfs/dbraw/zinc/19/92/24/555199224.db2.gz SJCPWWCZHMXSCY-UHFFFAOYSA-N 0 1 546.045 4.555 50 0 KJAAMN CCOC(=O)c1c(NC=C2c3ccccc3C(=O)N(c3ccc(OC)c(OC)c3)C2=O)sc2c1CCN(CC)C2 ZINC000103004186 1066372584 /nfs/dbraw/zinc/37/25/84/1066372584.db2.gz LASVVYBORPOMMZ-JWGURIENSA-N 0 1 561.660 4.960 50 0 KJAAMN COc1ccc(N2C(=O)c3ccccc3C(=CNc3cc(Cl)ccc3N3CCN(C)CC3)C2=O)cc1OC ZINC000103004554 1066372950 /nfs/dbraw/zinc/37/29/50/1066372950.db2.gz BHLNNCXUXPROQQ-PTGBLXJZSA-N 0 1 533.028 4.749 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccccn3)C2=O)c1 ZINC000103004849 1066373182 /nfs/dbraw/zinc/37/31/82/1066373182.db2.gz GXLGKUZWYKMKNH-PTGBLXJZSA-N 0 1 526.574 4.531 50 0 KJAAMN CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C2=O)cc1 ZINC000103004870 555203029 /nfs/dbraw/zinc/20/30/29/555203029.db2.gz JZGLIAADMFKJSO-IMRQLAEWSA-N 0 1 569.643 4.933 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ncccc3C)C2=O)c1 ZINC000103005274 1066373413 /nfs/dbraw/zinc/37/34/13/1066373413.db2.gz UZRUEOLFZNZYBN-HKOYGPOVSA-N 0 1 540.601 4.839 50 0 KJAAMN O=C1c2ccccc2C(=CNc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000103005303 1066373318 /nfs/dbraw/zinc/37/33/18/1066373318.db2.gz QPDYRUJDTQBTEZ-XQNSMLJCSA-N 0 1 531.981 4.571 50 0 KJAAMN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(=O)(=O)Nc4ncccn4)cc3)C2=O)cc1C ZINC000103005317 1066373380 /nfs/dbraw/zinc/37/33/80/1066373380.db2.gz ZQCBWVJVVANREM-KOEQRZSOSA-N 0 1 525.590 4.534 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc4c(c3)OCO4)C2=O)c1 ZINC000103005452 555203661 /nfs/dbraw/zinc/20/36/61/555203661.db2.gz PMABLQZJMNKAOW-ULJHMMPZSA-N 0 1 569.595 4.865 50 0 KJAAMN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000103007785 555205008 /nfs/dbraw/zinc/20/50/08/555205008.db2.gz YXZWBXBODBFDQF-UHFFFAOYSA-N 0 1 558.723 4.666 50 0 KJAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000103007787 555205035 /nfs/dbraw/zinc/20/50/35/555205035.db2.gz IPHFHGAWDKYVAR-UHFFFAOYSA-N 0 1 546.737 4.597 50 0 KJAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000103008223 555205051 /nfs/dbraw/zinc/20/50/51/555205051.db2.gz DZHLJYMOQCOYLT-XRLCUDTISA-N 0 1 532.065 4.613 50 0 KJAAMN CC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000103008235 555205078 /nfs/dbraw/zinc/20/50/78/555205078.db2.gz USOOSUCQAHQJJY-ZWBDOSIPSA-N 0 1 501.586 4.770 50 0 KJAAMN CCN(C(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc2ccccc21 ZINC000103008430 555205253 /nfs/dbraw/zinc/20/52/53/555205253.db2.gz UACPPRKZGDHFDS-UHFFFAOYSA-N 0 1 546.601 4.622 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)/C=C\c2cccc(Br)c2)ccc1N1CCOCC1 ZINC000103011786 555206521 /nfs/dbraw/zinc/20/65/21/555206521.db2.gz ADOCTKBVFCVONP-XFXZXTDPSA-N 0 1 572.481 4.747 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)ccc1N1CCOCC1 ZINC000103011791 555206507 /nfs/dbraw/zinc/20/65/07/555206507.db2.gz OGTHXIAITHYMQQ-UHFFFAOYSA-N 0 1 590.658 4.739 50 0 KJAAMN CCCCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1 ZINC000103011805 555206375 /nfs/dbraw/zinc/20/63/75/555206375.db2.gz PJIRZFPPFMKVOD-UHFFFAOYSA-N 0 1 539.654 4.764 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCCc2c[nH]c3ccccc23)ccc1N1CCOCC1 ZINC000103011840 555206382 /nfs/dbraw/zinc/20/63/82/555206382.db2.gz YIKVRGARCCEGJJ-UHFFFAOYSA-N 0 1 548.665 4.775 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCCSc2ccccc2)ccc1N1CCOCC1 ZINC000103011866 555206526 /nfs/dbraw/zinc/20/65/26/555206526.db2.gz MVWVSLZKEFUUHX-UHFFFAOYSA-N 0 1 541.695 4.844 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1N1CCCCC1 ZINC000103012090 555207063 /nfs/dbraw/zinc/20/70/63/555207063.db2.gz OSDSJXMWNRLFAT-UHFFFAOYSA-N 0 1 612.774 4.913 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)ccc1C ZINC000103012633 555207437 /nfs/dbraw/zinc/20/74/37/555207437.db2.gz LFRDDZRRIOANRB-UHFFFAOYSA-N 0 1 578.112 4.885 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)ccc1C ZINC000103012667 555207483 /nfs/dbraw/zinc/20/74/83/555207483.db2.gz TTYBFIWDNFSXIA-UHFFFAOYSA-N 0 1 577.684 4.808 50 0 KJAAMN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)ccc1Cl ZINC000103012683 555207430 /nfs/dbraw/zinc/20/74/30/555207430.db2.gz YCKPMQBXJQOOSO-UHFFFAOYSA-N 0 1 566.101 4.741 50 0 KJAAMN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)c1 ZINC000103012687 555207423 /nfs/dbraw/zinc/20/74/23/555207423.db2.gz BXAKGRFIQIUCGW-UHFFFAOYSA-N 0 1 566.101 4.741 50 0 KJAAMN C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000103013275 555207620 /nfs/dbraw/zinc/20/76/20/555207620.db2.gz SIZOWOMSYOWCDN-NUULZMKSSA-N 0 1 505.549 4.519 50 0 KJAAMN O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@]3(c4ccccc4N(Cc4ccc(F)cc4)C3=O)[C@H]2C(=O)N1Cc1ccccc1 ZINC000103013373 555207683 /nfs/dbraw/zinc/20/76/83/555207683.db2.gz QNNLWPJUJVOMJH-XGFBUNCHSA-N 0 1 545.614 4.584 50 0 KJAAMN O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@@]3(c4ccccc4N(Cc4ccc(F)cc4)C3=O)[C@H]2C(=O)N1Cc1ccccc1 ZINC000103013375 555207650 /nfs/dbraw/zinc/20/76/50/555207650.db2.gz QNNLWPJUJVOMJH-HFWHKAEWSA-N 0 1 545.614 4.584 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000103015437 555208957 /nfs/dbraw/zinc/20/89/57/555208957.db2.gz DCWCWSAZKAZERM-UHFFFAOYSA-N 0 1 543.601 4.664 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1 ZINC000103015445 555208916 /nfs/dbraw/zinc/20/89/16/555208916.db2.gz FJGLWCWNEXHGPE-UHFFFAOYSA-N 0 1 585.748 4.769 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)c1 ZINC000103017030 555209893 /nfs/dbraw/zinc/20/98/93/555209893.db2.gz NKBKLLAQZKJPHW-UHFFFAOYSA-N 0 1 581.672 4.582 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000103017051 555209814 /nfs/dbraw/zinc/20/98/14/555209814.db2.gz SBRIHRNNCYXPQF-UHFFFAOYSA-N 0 1 592.655 4.603 50 0 KJAAMN C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000103017915 555210442 /nfs/dbraw/zinc/21/04/42/555210442.db2.gz BSLNTCMTDKFTLK-WGTRGBAJSA-N 0 1 506.389 4.533 50 0 KJAAMN CC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 ZINC000103017921 555210383 /nfs/dbraw/zinc/21/03/83/555210383.db2.gz SBGUJUZVKRHORC-XRLCUDTISA-N 0 1 550.442 4.932 50 0 KJAAMN CCOC(=O)C1C(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)=NC(=O)N[C@@H]1c1ccccc1 ZINC000103020382 555211770 /nfs/dbraw/zinc/21/17/70/555211770.db2.gz SPSQHPYRAUHMIM-XMMPIXPASA-N 0 1 548.571 4.627 50 0 KJAAMN CCOC(=O)C1C(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)=NC(=O)N[C@H]1c1ccccc1 ZINC000103020385 555211673 /nfs/dbraw/zinc/21/16/73/555211673.db2.gz SPSQHPYRAUHMIM-DEOSSOPVSA-N 0 1 548.571 4.627 50 0 KJAAMN O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@@H]1CCCN1[C@@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000103030062 555218527 /nfs/dbraw/zinc/21/85/27/555218527.db2.gz XPHWSLMTNITVDN-JLMYGFKKSA-N 0 1 531.534 4.731 50 0 KJAAMN O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000103030065 555218516 /nfs/dbraw/zinc/21/85/16/555218516.db2.gz XPHWSLMTNITVDN-RTAAPDIRSA-N 0 1 531.534 4.731 50 0 KJAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC000103035974 555222918 /nfs/dbraw/zinc/22/29/18/555222918.db2.gz RPDNFHDARHKVGH-UHFFFAOYSA-N 0 1 568.398 4.637 50 0 KJAAMN COc1ccccc1NC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000103040061 555224645 /nfs/dbraw/zinc/22/46/45/555224645.db2.gz WWYLSICYVKFRKJ-NGOKVRLYSA-N 0 1 536.673 4.998 50 0 KJAAMN COc1ccccc1NC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000103040063 555224592 /nfs/dbraw/zinc/22/45/92/555224592.db2.gz WWYLSICYVKFRKJ-MMTVBGGISA-N 0 1 536.673 4.998 50 0 KJAAMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(-n2nc(OC(C)C)nc2-c2ccco2)cc1 ZINC000103047252 555229105 /nfs/dbraw/zinc/22/91/05/555229105.db2.gz OXEWAEAYAQSITO-UHFFFAOYSA-N 0 1 533.404 4.886 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)COc2cccc3c2OC(C)(C)C3)ccc1N1CCCC1 ZINC000103049542 555231556 /nfs/dbraw/zinc/23/15/56/555231556.db2.gz BAKHWURZMGDQBY-UHFFFAOYSA-N 0 1 551.665 4.827 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)ccc1N1CCCC1 ZINC000103049564 1066515289 /nfs/dbraw/zinc/51/52/89/1066515289.db2.gz RCWXBTVUORPWMD-KAMYIIQDSA-N 0 1 567.664 4.774 50 0 KJAAMN CCN(CC)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)Nc1ccccc1OC ZINC000103049929 555232304 /nfs/dbraw/zinc/23/23/04/555232304.db2.gz BUSRBEBNEXFHRD-UHFFFAOYSA-N 0 1 536.654 4.721 50 0 KJAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n1 ZINC000103060158 555241076 /nfs/dbraw/zinc/24/10/76/555241076.db2.gz SFXKCOVIFUIDDK-UHFFFAOYSA-N 0 1 556.497 4.693 50 0 KJAAMN O=C(NCCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12 ZINC000103061662 555242817 /nfs/dbraw/zinc/24/28/17/555242817.db2.gz AFEVTPWGVDUURZ-AOYPEHQESA-N 0 1 529.006 4.976 50 0 KJAAMN O=C(NCCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12 ZINC000103061664 555242878 /nfs/dbraw/zinc/24/28/78/555242878.db2.gz AFEVTPWGVDUURZ-AZGAKELHSA-N 0 1 529.006 4.976 50 0 KJAAMN COc1nc(-c2cccc(OC)c2)n(-c2cccc(NS(=O)(=O)c3cc(Br)ccc3OC)c2)n1 ZINC000103065669 555246089 /nfs/dbraw/zinc/24/60/89/555246089.db2.gz OWHUJGMDSODEBG-UHFFFAOYSA-N 0 1 545.415 4.523 50 0 KJAAMN COCCOc1nc(-c2ccc(OC)cc2)n(-c2ccc(NS(=O)(=O)c3cc(Br)ccc3OC)cc2)n1 ZINC000103065741 555246091 /nfs/dbraw/zinc/24/60/91/555246091.db2.gz GNEGYLTVOPIVPP-UHFFFAOYSA-N 0 1 589.468 4.540 50 0 KJAAMN CCOCCOc1nc(-c2ccco2)n(-c2ccc(NS(=O)(=O)c3cc(Br)ccc3OC)cc2)n1 ZINC000103065754 555246087 /nfs/dbraw/zinc/24/60/87/555246087.db2.gz IJYBRJQLWICMOP-UHFFFAOYSA-N 0 1 563.430 4.515 50 0 KJAAMN CCOC(=O)C1C(COC(=O)C=Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)=NC(=O)N[C@@H]1c1ccccc1 ZINC000103070913 1066515717 /nfs/dbraw/zinc/51/57/17/1066515717.db2.gz KUADKSVGYZHGOF-BUOWTUAJSA-N 0 1 549.027 4.629 50 0 KJAAMN CCOC(=O)C1C(COC(=O)C=Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)=NC(=O)N[C@H]1c1ccccc1 ZINC000103070919 1066515698 /nfs/dbraw/zinc/51/56/98/1066515698.db2.gz KUADKSVGYZHGOF-VMPOVSTKSA-N 0 1 549.027 4.629 50 0 KJAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000103084528 555263280 /nfs/dbraw/zinc/26/32/80/555263280.db2.gz KGWVLADCPSWPMI-UHFFFAOYSA-N 0 1 544.629 4.882 50 0 KJAAMN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(C)c1 ZINC000103092164 555271189 /nfs/dbraw/zinc/27/11/89/555271189.db2.gz YKZYZBKTRDZJGB-UHFFFAOYSA-N 0 1 613.758 4.691 50 0 KJAAMN CCOC(=O)C1C(COC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000103094524 555273238 /nfs/dbraw/zinc/27/32/38/555273238.db2.gz ICGCWURBMCRKFP-HHHXNRCGSA-N 0 1 540.551 4.707 50 0 KJAAMN CCOC(=O)C1C(COC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000103094525 555273226 /nfs/dbraw/zinc/27/32/26/555273226.db2.gz ICGCWURBMCRKFP-MHZLTWQESA-N 0 1 540.551 4.707 50 0 KJAAMN CCN(CC)c1ccc(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000103105664 555282776 /nfs/dbraw/zinc/28/27/76/555282776.db2.gz VXVGKWURCBQDBI-UHFFFAOYSA-N 0 1 560.470 4.892 50 0 KJAAMN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)Nc3ccc(SC(F)F)cc3)cc2)cc1 ZINC000103116742 555288509 /nfs/dbraw/zinc/28/85/09/555288509.db2.gz BKNSOPJKVWRQOB-UHFFFAOYSA-N 0 1 534.562 4.800 50 0 KJAAMN COc1cccc(N2CCN(C(=O)c3ccc(C)nc3C3CCN(Cc4cccc(OC)c4OC)CC3)CC2)c1 ZINC000103121598 555290658 /nfs/dbraw/zinc/29/06/58/555290658.db2.gz SBTMFSBLQQYDJA-UHFFFAOYSA-N 0 1 544.696 4.758 50 0 KJAAMN COc1cc(CN(C)C(=O)c2cc(N3CCN(Cc4ccccc4)CC3)nc3ccccc32)cc(OC)c1OC ZINC000103124272 555292082 /nfs/dbraw/zinc/29/20/82/555292082.db2.gz CDKMFPIXZHKRNZ-UHFFFAOYSA-N 0 1 540.664 4.855 50 0 KJAAMN CCOC(=O)C1C(CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000103132765 555302439 /nfs/dbraw/zinc/30/24/39/555302439.db2.gz IPPNOWYTCMPENQ-AREMUKBSSA-N 0 1 540.645 4.717 50 0 KJAAMN CCOC(=O)C1C(CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000103132767 555302427 /nfs/dbraw/zinc/30/24/27/555302427.db2.gz IPPNOWYTCMPENQ-SANMLTNESA-N 0 1 540.645 4.717 50 0 KJAAMN COc1cccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)c1 ZINC000103179374 555328480 /nfs/dbraw/zinc/32/84/80/555328480.db2.gz UJHHEFAJFCOLEM-NGOKVRLYSA-N 0 1 536.673 4.998 50 0 KJAAMN COc1cccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000103179378 555328508 /nfs/dbraw/zinc/32/85/08/555328508.db2.gz UJHHEFAJFCOLEM-MMTVBGGISA-N 0 1 536.673 4.998 50 0 KJAAMN CCCCOc1ccc(C(=O)N(CCCOC)Cc2c(C)nn(-c3cccc(F)c3)c2N2CCN(C)CC2)cc1 ZINC000103368657 555366149 /nfs/dbraw/zinc/36/61/49/555366149.db2.gz CRQVXZUQNRUHJT-UHFFFAOYSA-N 0 1 551.707 4.929 50 0 KJAAMN COc1nc(-c2ccc(C)cc2)n(-c2ccc(NS(=O)(=O)c3cc(Br)ccc3OC)cc2)n1 ZINC000103390795 555375966 /nfs/dbraw/zinc/37/59/66/555375966.db2.gz JCIGFUZPHFNKQQ-UHFFFAOYSA-N 0 1 529.416 4.823 50 0 KJAAMN CCOC(=O)C1CCN(C(=O)c2ccc(CSc3nc(N4CCN(CC)CC4)cc(C(C)(C)C)n3)cc2)CC1 ZINC000103406905 555392969 /nfs/dbraw/zinc/39/29/69/555392969.db2.gz GEMVFLNUBAQVRK-UHFFFAOYSA-N 0 1 553.773 4.624 50 0 KJAAMN COc1ccc(C[C@@]2(C[N@H+]3CCc4cc(OC)c(OC)cc4[C@H]3C)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103512346 555422290 /nfs/dbraw/zinc/42/22/90/555422290.db2.gz RPOCLRMLCJYPNM-PLTNMMHCSA-N 0 1 543.620 4.984 50 0 KJAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)N[C@]4(C(=O)Nc5c4cc(Cl)cc5C)[C@H]3C2=O)cc1 ZINC000103520662 555426217 /nfs/dbraw/zinc/42/62/17/555426217.db2.gz YWRRMKCECVYWLV-PXFJVXAFSA-N 0 1 553.018 4.500 50 0 KJAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5c4cc(Cl)cc5C)[C@H]3C2=O)cc1 ZINC000103520664 555426220 /nfs/dbraw/zinc/42/62/20/555426220.db2.gz YWRRMKCECVYWLV-BCVXLEMTSA-N 0 1 553.018 4.500 50 0 KJAAMN COc1ccc(C(=O)[C@@H]2[C@]3(C(=O)Nc4ccccc43)[C@H]3CCCN3[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000103530972 555431161 /nfs/dbraw/zinc/43/11/61/555431161.db2.gz XEXABDNAKDLJKS-UEQYQIMASA-N 0 1 558.034 4.680 50 0 KJAAMN COc1ccc(C(=O)[C@@H]2[C@]3(C(=O)Nc4ccccc43)[C@H]3CCCN3[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000103530978 555431125 /nfs/dbraw/zinc/43/11/25/555431125.db2.gz XEXABDNAKDLJKS-XQQDTOEMSA-N 0 1 558.034 4.680 50 0 KJAAMN COc1ccc(OC)c(C(O)=C2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103534203 555434423 /nfs/dbraw/zinc/43/44/23/555434423.db2.gz QOGNHDGKUZYEBQ-HOSLJWMQSA-N 0 1 528.992 4.919 50 0 KJAAMN O=C(NCc1ccncc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12 ZINC000104916626 571387596 /nfs/dbraw/zinc/38/75/96/571387596.db2.gz ZTGVLJJBPMKFQS-ILBGXUMGSA-N 0 1 514.979 4.933 50 0 KJAAMN O=C(NCc1ccncc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12 ZINC000104916631 571387575 /nfs/dbraw/zinc/38/75/75/571387575.db2.gz ZTGVLJJBPMKFQS-UKILVPOCSA-N 0 1 514.979 4.933 50 0 KJAAMN COc1cccc(Oc2c(CN(C[C@H](O)COCC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000105002089 571388915 /nfs/dbraw/zinc/38/89/15/571388915.db2.gz MFOBETOKXVFUEF-RPLLCQBOSA-N 0 1 523.674 4.903 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@H](O)COCc1ccccc1 ZINC000105002762 571389000 /nfs/dbraw/zinc/38/90/00/571389000.db2.gz DTCUENQOUKSSKX-LBNVMWSVSA-N 0 1 522.711 4.851 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@H](O)COCc1ccccc1 ZINC000105003300 571388878 /nfs/dbraw/zinc/38/88/78/571388878.db2.gz LSHPJDROXFEJNR-LBNVMWSVSA-N 0 1 522.711 4.851 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@H](O)COc1ccccc1 ZINC000105003354 571388884 /nfs/dbraw/zinc/38/88/84/571388884.db2.gz CREXICDMVAPWII-WNCULLNHSA-N 0 1 508.684 4.713 50 0 KJAAMN COc1cccc(Oc2c(CN(C[C@H](O)COC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000105003659 571388977 /nfs/dbraw/zinc/38/89/77/571388977.db2.gz XMRWHHIGMCGADM-JYFHCDHNSA-N 0 1 509.647 4.655 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COC(C)C ZINC000105003715 571388956 /nfs/dbraw/zinc/38/89/56/571388956.db2.gz MOFXYLZZMFVIBA-JYFHCDHNSA-N 0 1 502.721 4.874 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@H](O)COCc1ccccc1 ZINC000105003767 571388968 /nfs/dbraw/zinc/38/89/68/571388968.db2.gz ISOZENFDVPJHPA-AZGAKELHSA-N 0 1 538.710 4.551 50 0 KJAAMN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](O)COCc1ccccc1 ZINC000105003917 571389071 /nfs/dbraw/zinc/38/90/71/571389071.db2.gz YGGQCKUKZBCYJI-AHKZPQOWSA-N 0 1 522.711 4.769 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COc1ccccc1 ZINC000105003995 571388899 /nfs/dbraw/zinc/38/88/99/571388899.db2.gz PTTJYRWTLZTEKI-BKMJKUGQSA-N 0 1 512.647 4.544 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COc1ccccc1C ZINC000105004003 571388921 /nfs/dbraw/zinc/38/89/21/571388921.db2.gz SSLPXJOODNNGJV-JYFHCDHNSA-N 0 1 526.674 4.852 50 0 KJAAMN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COCC(C)C ZINC000105004144 571389214 /nfs/dbraw/zinc/38/92/14/571389214.db2.gz ZXRGNIQFMNVAQI-JYFHCDHNSA-N 0 1 502.721 4.732 50 0 KJAAMN Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H](O)COCc2ccccc2)C2CC2)c1 ZINC000105004311 571389146 /nfs/dbraw/zinc/38/91/46/571389146.db2.gz LSXDVLPTAQWGGB-NAKRPHOHSA-N 0 1 520.695 4.603 50 0 KJAAMN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@H](O)COc1ccccc1C ZINC000105004399 571389100 /nfs/dbraw/zinc/38/91/00/571389100.db2.gz RPOJBOGVWGMROA-UKILVPOCSA-N 0 1 508.684 4.632 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@H](O)COCc1ccccc1 ZINC000105004453 571389225 /nfs/dbraw/zinc/38/92/25/571389225.db2.gz QLMXWEYFOCIHQR-RPLLCQBOSA-N 0 1 526.674 4.682 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000105004983 571389211 /nfs/dbraw/zinc/38/92/11/571389211.db2.gz RKMHCIPKZJZKMJ-RPLLCQBOSA-N 0 1 526.674 4.682 50 0 KJAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000105060426 571390799 /nfs/dbraw/zinc/39/07/99/571390799.db2.gz WFQMAZIXUZIYPM-ZBLYBZFDSA-N 0 1 505.659 4.906 50 0 KJAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)NCc1ccccc1 ZINC000105060823 571390826 /nfs/dbraw/zinc/39/08/26/571390826.db2.gz GWVPYOARSCMZKI-LYZGTLIUSA-N 0 1 520.674 4.667 50 0 KJAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000105061369 571390922 /nfs/dbraw/zinc/39/09/22/571390922.db2.gz PPJXBHVERXQFAG-ZBLYBZFDSA-N 0 1 507.725 4.758 50 0 KJAAMN COc1cc(OC)cc(C(=O)N2CCCN(C(=O)[C@@H](C)N3CCc4sccc4[C@@H]3c3ccccc3C)CC2)c1 ZINC000105061375 571390928 /nfs/dbraw/zinc/39/09/28/571390928.db2.gz RHHFFIGCVYAZFR-MNNSJKJDSA-N 0 1 547.721 4.784 50 0 KJAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000105061388 571391058 /nfs/dbraw/zinc/39/10/58/571391058.db2.gz SZSVCDMMIBRXBM-MNNSJKJDSA-N 0 1 519.686 4.835 50 0 KJAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)COCc2ccccc2)CC1 ZINC000105061395 571391000 /nfs/dbraw/zinc/39/10/00/571391000.db2.gz BCYZFUVJTVSGNR-HLADLETHSA-N 0 1 531.722 4.670 50 0 KJAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)COCc1ccccc1 ZINC000105061446 571390948 /nfs/dbraw/zinc/39/09/48/571390948.db2.gz ORJWKIYMQSHCAJ-YKGWIAGDSA-N 0 1 535.685 4.501 50 0 KJAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000105061527 571390942 /nfs/dbraw/zinc/39/09/42/571390942.db2.gz RZKGZAIUXHYULW-IBVKSMDESA-N 0 1 544.142 4.579 50 0 KJAAMN COc1ccc(CC(=O)N2CCCN(C(=O)[C@@H](C)N3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000105061828 571391019 /nfs/dbraw/zinc/39/10/19/571391019.db2.gz UUWZYDIYLQFQHI-DJUQAAIZSA-N 0 1 531.722 4.705 50 0 KJAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Cc1cccs1 ZINC000105061875 571390954 /nfs/dbraw/zinc/39/09/54/571390954.db2.gz XTFCODZKEGEUJZ-XHCCPWGMSA-N 0 1 511.688 4.588 50 0 KJAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)NC1CCCCC1 ZINC000105061915 571390971 /nfs/dbraw/zinc/39/09/71/571390971.db2.gz QEAXXCYAUKMUEJ-NFQMXDRXSA-N 0 1 512.695 4.800 50 0 KJAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000105990128 571410114 /nfs/dbraw/zinc/41/01/14/571410114.db2.gz YZUYFDBAUXUNHL-TUNNFDKTSA-N 0 1 574.225 4.977 50 0 KJAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000105990132 571410090 /nfs/dbraw/zinc/41/00/90/571410090.db2.gz YZUYFDBAUXUNHL-KCZVDYSFSA-N 0 1 574.225 4.977 50 0 KJAAMN COc1ccc(OC)c(C(O)=C2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000106535311 571412936 /nfs/dbraw/zinc/41/29/36/571412936.db2.gz QOGNHDGKUZYEBQ-VEAWFHDZSA-N 0 1 528.992 4.919 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3ccc4nc(CC(C)C)[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448530 571424172 /nfs/dbraw/zinc/42/41/72/571424172.db2.gz WHBNPIZYXNLZDH-DEOSSOPVSA-N 0 1 613.715 4.988 50 0 biogenic KJAAMN CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc1-2 ZINC000116519577 1067214859 /nfs/dbraw/zinc/21/48/59/1067214859.db2.gz DHKBTAOKHPQHKT-UHFFFAOYSA-N 0 1 580.737 4.857 50 0 in-vitro KJAAMN O=S(=O)(Nc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1cc(Cl)ccc1Cl ZINC000135669170 571448709 /nfs/dbraw/zinc/44/87/09/571448709.db2.gz AKHBJNXFNUAWFB-UHFFFAOYSA-N 0 1 543.450 4.607 50 0 KJAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000137663439 571450503 /nfs/dbraw/zinc/45/05/03/571450503.db2.gz HWJJTOQXICMKRM-OYUWMTPXSA-N 0 1 502.567 4.934 50 0 KJAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000137663439 571450502 /nfs/dbraw/zinc/45/05/02/571450502.db2.gz HWJJTOQXICMKRM-OYUWMTPXSA-N 0 1 502.567 4.934 50 0 KJAAMN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(O)c(I)c3)C2=O)cc1 ZINC000150345094 571459736 /nfs/dbraw/zinc/45/97/36/571459736.db2.gz LPSIBOODXIZFIM-OVCLIPMQSA-N 0 1 620.206 4.585 50 0 KJAAMN CC1(C)c2ccccc2[N+](CCCS(=O)(=O)[O-])=C1/C=C/c1cc(I)c(O)c(I)c1 ZINC000150350386 571461982 /nfs/dbraw/zinc/46/19/82/571461982.db2.gz SFPKEYWHHIHKEO-UHFFFAOYSA-O 0 1 638.285 4.969 50 0 KJAAMN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150390619 571472890 /nfs/dbraw/zinc/47/28/90/571472890.db2.gz FBWVNDJLHRRPOU-WJOKGBTCSA-N 0 1 689.810 4.722 50 0 KJAAMN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150390622 571472892 /nfs/dbraw/zinc/47/28/92/571472892.db2.gz FBWVNDJLHRRPOU-HKBQPEDESA-N 0 1 689.810 4.722 50 0 KJAAMN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCCN3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000150414352 571485207 /nfs/dbraw/zinc/48/52/07/571485207.db2.gz PWCIVKAGMFXIJP-PMERELPUSA-N 0 1 647.773 4.554 50 0 KJAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCCN3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000150414355 571485181 /nfs/dbraw/zinc/48/51/81/571485181.db2.gz PWCIVKAGMFXIJP-SSEXGKCCSA-N 0 1 647.773 4.554 50 0 KJAAMN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000150414360 571485062 /nfs/dbraw/zinc/48/50/62/571485062.db2.gz PGTWKOJJFBGDKQ-LJAQVGFWSA-N 0 1 635.737 4.685 50 0 KJAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000150414364 571485184 /nfs/dbraw/zinc/48/51/84/571485184.db2.gz PGTWKOJJFBGDKQ-GDLZYMKVSA-N 0 1 635.737 4.685 50 0 KJAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OCC)cc3)N(CCCN3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000150414410 571485194 /nfs/dbraw/zinc/48/51/94/571485194.db2.gz IRUIPYXCRSMSBU-JGCGQSQUSA-N 0 1 657.837 4.801 50 0 KJAAMN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OCC)cc3)N(CCCN3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000150414415 571485159 /nfs/dbraw/zinc/48/51/59/571485159.db2.gz IRUIPYXCRSMSBU-YTTGMZPUSA-N 0 1 657.837 4.801 50 0 KJAAMN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150414421 571485148 /nfs/dbraw/zinc/48/51/48/571485148.db2.gz JCYLJGYAJNFQNJ-YTTGMZPUSA-N 0 1 657.837 4.801 50 0 KJAAMN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150414428 571485162 /nfs/dbraw/zinc/48/51/62/571485162.db2.gz JCYLJGYAJNFQNJ-JGCGQSQUSA-N 0 1 657.837 4.801 50 0 KJAAMN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150414435 571485074 /nfs/dbraw/zinc/48/50/74/571485074.db2.gz IDZIMMNGKPYCRB-JGCGQSQUSA-N 0 1 685.847 4.579 50 0 KJAAMN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150414443 571485033 /nfs/dbraw/zinc/48/50/33/571485033.db2.gz IDZIMMNGKPYCRB-YTTGMZPUSA-N 0 1 685.847 4.579 50 0 KJAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OCC)cc3)N(CCCN3CCN(c4ccccc4)CC3)C2=S)cc1 ZINC000150414508 571485171 /nfs/dbraw/zinc/48/51/71/571485171.db2.gz ZRKGOMXPPPCSKK-WJOKGBTCSA-N 0 1 643.810 4.805 50 0 KJAAMN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OCC)cc3)N(CCCN3CCN(c4ccccc4)CC3)C2=S)cc1 ZINC000150414514 571485169 /nfs/dbraw/zinc/48/51/69/571485169.db2.gz 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ZINC000150438333 571497012 /nfs/dbraw/zinc/49/70/12/571497012.db2.gz GIXRLDYJGGZSTF-UHFFFAOYSA-N 0 1 685.869 4.606 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)ccc1N1CCCCC1 ZINC000150438361 571497035 /nfs/dbraw/zinc/49/70/35/571497035.db2.gz HFJJISGLIYEORS-UHFFFAOYSA-N 0 1 697.880 4.750 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)ccc1N1CCOCC1 ZINC000150438438 571497057 /nfs/dbraw/zinc/49/70/57/571497057.db2.gz YKTNONIAIVJYSH-UHFFFAOYSA-N 0 1 662.790 4.726 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)ccc1N1CCOCC1 ZINC000150438608 571496995 /nfs/dbraw/zinc/49/69/95/571496995.db2.gz RLPNCHASSRCVGS-UHFFFAOYSA-N 0 1 650.779 4.718 50 0 KJAAMN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000150440657 571498019 /nfs/dbraw/zinc/49/80/19/571498019.db2.gz IDQVMULGRNMABD-VWLOTQADSA-N 0 1 647.530 4.698 50 0 KJAAMN 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COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3cccc(-c4nnc[nH]4)c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653712 571526263 /nfs/dbraw/zinc/52/62/63/571526263.db2.gz VIPWAIAALUSFOK-BDYUSTAISA-N 0 1 658.781 4.820 50 0 KJAAMN CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(O)cc(c(O)c4c(O)c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000169292491 562852023 /nfs/dbraw/zinc/85/20/23/562852023.db2.gz HJYYPODYNSCCOU-WURVRSKISA-N 0 1 697.778 4.754 50 0 in-man KJAAMN CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(O)cc(c(O)c4c(O)c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000169633673 562864974 /nfs/dbraw/zinc/86/49/74/562864974.db2.gz HJYYPODYNSCCOU-ODRIEIDWSA-N 0 1 697.778 4.754 50 0 in-man KJAAMN COc1ccccc1NC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C ZINC000169677354 571554756 /nfs/dbraw/zinc/55/47/56/571554756.db2.gz WWYLSICYVKFRKJ-WTYVLRPYSA-N 0 1 536.673 4.998 50 0 KJAAMN O=C(NCCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169677662 571555185 /nfs/dbraw/zinc/55/51/85/571555185.db2.gz AFEVTPWGVDUURZ-RSXGOPAZSA-N 0 1 529.006 4.976 50 0 KJAAMN O=C(NCCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169677663 571555082 /nfs/dbraw/zinc/55/50/82/571555082.db2.gz AFEVTPWGVDUURZ-AHWVRZQESA-N 0 1 529.006 4.976 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](O)COCc1ccccc1 ZINC000169678392 571555607 /nfs/dbraw/zinc/55/56/07/571555607.db2.gz DTCUENQOUKSSKX-LEAFIULHSA-N 0 1 522.711 4.851 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@@H](O)COCc1ccccc1 ZINC000169678440 571555908 /nfs/dbraw/zinc/55/59/08/571555908.db2.gz QLMXWEYFOCIHQR-SHQCIBLASA-N 0 1 526.674 4.682 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COc1ccccc1 ZINC000169678859 571555911 /nfs/dbraw/zinc/55/59/11/571555911.db2.gz PTTJYRWTLZTEKI-ATIYNZHBSA-N 0 1 512.647 4.544 50 0 KJAAMN O=C(NCc1ccncc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169679035 571556060 /nfs/dbraw/zinc/55/60/60/571556060.db2.gz ZTGVLJJBPMKFQS-NOZRDPDXSA-N 0 1 514.979 4.933 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COC(C)C ZINC000169679254 571556258 /nfs/dbraw/zinc/55/62/58/571556258.db2.gz MOFXYLZZMFVIBA-ZEQKJWHPSA-N 0 1 502.721 4.874 50 0 KJAAMN Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H](O)COCc2ccccc2)C2CC2)c1 ZINC000169679484 571556283 /nfs/dbraw/zinc/55/62/83/571556283.db2.gz LSXDVLPTAQWGGB-LEAFIULHSA-N 0 1 520.695 4.603 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C ZINC000169679635 571556228 /nfs/dbraw/zinc/55/62/28/571556228.db2.gz SSLPXJOODNNGJV-ZEQKJWHPSA-N 0 1 526.674 4.852 50 0 KJAAMN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](O)COCc1ccccc1 ZINC000169680127 571556725 /nfs/dbraw/zinc/55/67/25/571556725.db2.gz YGGQCKUKZBCYJI-XNMGPUDCSA-N 0 1 522.711 4.769 50 0 KJAAMN CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](O)COCc1ccccc1 ZINC000169680127 571556724 /nfs/dbraw/zinc/55/67/24/571556724.db2.gz YGGQCKUKZBCYJI-XNMGPUDCSA-N 0 1 522.711 4.769 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000169680153 571556756 /nfs/dbraw/zinc/55/67/56/571556756.db2.gz LSHPJDROXFEJNR-LEAFIULHSA-N 0 1 522.711 4.851 50 0 KJAAMN CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000169680153 571556755 /nfs/dbraw/zinc/55/67/55/571556755.db2.gz LSHPJDROXFEJNR-LEAFIULHSA-N 0 1 522.711 4.851 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000169680327 571556618 /nfs/dbraw/zinc/55/66/18/571556618.db2.gz ISOZENFDVPJHPA-AOYPEHQESA-N 0 1 538.710 4.551 50 0 KJAAMN CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000169680327 571556613 /nfs/dbraw/zinc/55/66/13/571556613.db2.gz ISOZENFDVPJHPA-AOYPEHQESA-N 0 1 538.710 4.551 50 0 KJAAMN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COCC(C)C ZINC000169680353 571556762 /nfs/dbraw/zinc/55/67/62/571556762.db2.gz ZXRGNIQFMNVAQI-ZEQKJWHPSA-N 0 1 502.721 4.732 50 0 KJAAMN CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COCC(C)C ZINC000169680353 571556761 /nfs/dbraw/zinc/55/67/61/571556761.db2.gz ZXRGNIQFMNVAQI-ZEQKJWHPSA-N 0 1 502.721 4.732 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](O)COc1ccccc1 ZINC000169680380 571556759 /nfs/dbraw/zinc/55/67/59/571556759.db2.gz CREXICDMVAPWII-YIXXDRMTSA-N 0 1 508.684 4.713 50 0 KJAAMN CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](O)COc1ccccc1 ZINC000169680380 571556758 /nfs/dbraw/zinc/55/67/58/571556758.db2.gz CREXICDMVAPWII-YIXXDRMTSA-N 0 1 508.684 4.713 50 0 KJAAMN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@@H](O)COc1ccccc1C ZINC000169680386 571556709 /nfs/dbraw/zinc/55/67/09/571556709.db2.gz RPOJBOGVWGMROA-ILBGXUMGSA-N 0 1 508.684 4.632 50 0 KJAAMN CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@@H](O)COc1ccccc1C ZINC000169680386 571556708 /nfs/dbraw/zinc/55/67/08/571556708.db2.gz RPOJBOGVWGMROA-ILBGXUMGSA-N 0 1 508.684 4.632 50 0 KJAAMN Cc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169680831 571556994 /nfs/dbraw/zinc/55/69/94/571556994.db2.gz GHPIKNYQTUTXCM-RBTNQOKQSA-N 0 1 505.659 4.906 50 0 KJAAMN COc1cccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000169680839 571556873 /nfs/dbraw/zinc/55/68/73/571556873.db2.gz UJHHEFAJFCOLEM-WTYVLRPYSA-N 0 1 536.673 4.998 50 0 KJAAMN CC(C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COc1ccccc1 ZINC000169681575 571557460 /nfs/dbraw/zinc/55/74/60/571557460.db2.gz LCVCALLFNVKNRY-ATIYNZHBSA-N 0 1 512.647 4.542 50 0 KJAAMN CC(C)[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COc1ccccc1 ZINC000169681575 571557459 /nfs/dbraw/zinc/55/74/59/571557459.db2.gz LCVCALLFNVKNRY-ATIYNZHBSA-N 0 1 512.647 4.542 50 0 KJAAMN CC(C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000169681578 571557449 /nfs/dbraw/zinc/55/74/49/571557449.db2.gz OLCSTFRJRVNCAV-SHQCIBLASA-N 0 1 526.674 4.680 50 0 KJAAMN CC(C)[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000169681578 571557447 /nfs/dbraw/zinc/55/74/47/571557447.db2.gz OLCSTFRJRVNCAV-SHQCIBLASA-N 0 1 526.674 4.680 50 0 KJAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000169681580 571557571 /nfs/dbraw/zinc/55/75/71/571557571.db2.gz RKMHCIPKZJZKMJ-SHQCIBLASA-N 0 1 526.674 4.682 50 0 KJAAMN CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000169681580 571557570 /nfs/dbraw/zinc/55/75/70/571557570.db2.gz RKMHCIPKZJZKMJ-SHQCIBLASA-N 0 1 526.674 4.682 50 0 KJAAMN CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000169777844 571560390 /nfs/dbraw/zinc/56/03/90/571560390.db2.gz JDVIFCPDWXJKKX-CFCWSMIUSA-N 0 1 522.070 4.881 50 0 KJAAMN CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000169777846 571560426 /nfs/dbraw/zinc/56/04/26/571560426.db2.gz JDVIFCPDWXJKKX-YMLFONJDSA-N 0 1 522.070 4.881 50 0 KJAAMN Cc1oc(-c2ccc(C)cc2)nc1CN1CCC(C(=O)N2CCC[C@@H](c3nc(C4CCOCC4)no3)C2)CC1 ZINC000169779879 1066474138 /nfs/dbraw/zinc/47/41/38/1066474138.db2.gz FPGJDFDCIFXNRM-RUZDIDTESA-N 0 1 533.673 4.854 50 0 KJAAMN Cc1oc(-c2ccc(C)cc2)nc1CN1CCC(C(=O)N2CCC[C@H](c3nc(C4CCOCC4)no3)C2)CC1 ZINC000169779880 1066478574 /nfs/dbraw/zinc/47/85/74/1066478574.db2.gz FPGJDFDCIFXNRM-VWLOTQADSA-N 0 1 533.673 4.854 50 0 KJAAMN Cc1oc(-c2cccc(C)c2)nc1CN1CCC(C(=O)N2CCC(c3nc(C4CCOCC4)no3)CC2)CC1 ZINC000169779933 1066478334 /nfs/dbraw/zinc/47/83/34/1066478334.db2.gz PAMIEWBILCGXMB-UHFFFAOYSA-N 0 1 533.673 4.854 50 0 KJAAMN Cc1oc(-c2cccc(C)c2)nc1CN1CCC(C(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)CC1 ZINC000169779945 1066479364 /nfs/dbraw/zinc/47/93/64/1066479364.db2.gz VRYMLDFVJVZPSS-UHFFFAOYSA-N 0 1 547.700 4.929 50 0 KJAAMN Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H](C(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)C1 ZINC000169779947 1066479264 /nfs/dbraw/zinc/47/92/64/1066479264.db2.gz REALWHWPMJVBHZ-RUZDIDTESA-N 0 1 533.673 4.620 50 0 KJAAMN Cc1oc(-c2ccccc2)nc1CN1CCC[C@H](C(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)C1 ZINC000169779948 1066479399 /nfs/dbraw/zinc/47/93/99/1066479399.db2.gz REALWHWPMJVBHZ-VWLOTQADSA-N 0 1 533.673 4.620 50 0 KJAAMN Cc1oc(-c2cccc(C)c2)nc1CN1CCC(C(=O)N2CCC(Cc3nncn3C(C)C)CC2)CC1 ZINC000169780085 1066479378 /nfs/dbraw/zinc/47/93/78/1066479378.db2.gz MUEPAAMREJSRLZ-UHFFFAOYSA-N 0 1 504.679 4.824 50 0 KJAAMN Cc1oc(-c2ccc(C)cc2)nc1CN1CCC(C(=O)N2CCC(Cc3nncn3C(C)C)CC2)CC1 ZINC000169780493 1066479350 /nfs/dbraw/zinc/47/93/50/1066479350.db2.gz AJHCTOGPDSBQAN-UHFFFAOYSA-N 0 1 504.679 4.824 50 0 KJAAMN Cc1oc(-c2cccc(C)c2)nc1CN1CCC(C(=O)N2CCC[C@@H]2c2nc(C3CCOCC3)no2)CC1 ZINC000169780644 1066479204 /nfs/dbraw/zinc/47/92/04/1066479204.db2.gz PTHKBXGQVHUCRZ-RUZDIDTESA-N 0 1 519.646 4.811 50 0 KJAAMN Cc1oc(-c2cccc(C)c2)nc1CN1CCC(C(=O)N2CCC[C@H]2c2nc(C3CCOCC3)no2)CC1 ZINC000169780645 1066479311 /nfs/dbraw/zinc/47/93/11/1066479311.db2.gz PTHKBXGQVHUCRZ-VWLOTQADSA-N 0 1 519.646 4.811 50 0 KJAAMN Cc1oc(-c2cccc(C)c2)nc1CN1CCC(C(=O)N2CCC[C@@H](c3nc(C4CCOCC4)no3)C2)CC1 ZINC000169781001 1066480053 /nfs/dbraw/zinc/48/00/53/1066480053.db2.gz JKJOLXOZTOOLMM-RUZDIDTESA-N 0 1 533.673 4.854 50 0 KJAAMN Cc1oc(-c2cccc(C)c2)nc1CN1CCC(C(=O)N2CCC[C@H](c3nc(C4CCOCC4)no3)C2)CC1 ZINC000169781002 1066480014 /nfs/dbraw/zinc/48/00/14/1066480014.db2.gz JKJOLXOZTOOLMM-VWLOTQADSA-N 0 1 533.673 4.854 50 0 KJAAMN CCCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@@H]3c3noc(COc4ccc(F)cc4)n3)n[nH]2)c1C ZINC000169786136 1066480121 /nfs/dbraw/zinc/48/01/21/1066480121.db2.gz NSTWZBMJQKPYBJ-JOCHJYFZSA-N 0 1 507.570 4.769 50 0 KJAAMN CCCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@H]3c3noc(COc4ccc(F)cc4)n3)n[nH]2)c1C ZINC000169786137 1066480072 /nfs/dbraw/zinc/48/00/72/1066480072.db2.gz NSTWZBMJQKPYBJ-QFIPXVFZSA-N 0 1 507.570 4.769 50 0 KJAAMN 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OCIIPZZPFIZDPZ-TUAOVVRQSA-N 0 1 503.583 4.999 50 0 KJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000226931282 572145987 /nfs/dbraw/zinc/14/59/87/572145987.db2.gz DPSCPAUNQJIQFK-YTFSRNRJSA-N 0 1 509.356 4.517 50 0 KJAAMN COc1ccc(C(=O)[C@@H]2[C@]3(C(=O)Nc4ccccc43)[C@@H]3CCCN3[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000229615815 572156984 /nfs/dbraw/zinc/15/69/84/572156984.db2.gz XEXABDNAKDLJKS-FKVXNAHKSA-N 0 1 558.034 4.680 50 0 KJAAMN C[C@@H]1C[C@H](C(=O)Oc2ccc([C@@H]3c4c(O)n(-c5ccc(Cl)c(Cl)c5)c(O)c4ON3c3ccccc3)cc2)N(C)N1 ZINC000229861570 572162074 /nfs/dbraw/zinc/16/20/74/572162074.db2.gz PJAHPKZIAHIBAP-CNFVFWEUSA-N 0 1 581.456 4.547 50 0 KJAAMN COc1ccc(OC)c(C(O)=C2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229977655 572175858 /nfs/dbraw/zinc/17/58/58/572175858.db2.gz QOGNHDGKUZYEBQ-NJBJSMFESA-N 0 1 528.992 4.919 50 0 KJAAMN CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 ZINC000230066872 572182414 /nfs/dbraw/zinc/18/24/14/572182414.db2.gz IYMILNLWPOOXJA-MHZHKKNFSA-N 0 1 515.629 4.916 50 0 KJAAMN Cc1ccc(C2=C(O)[C@H]3C(=C(O)c4ccc(Br)cc4)N4N=Cc5ccccc5[C@@H]4C3=C2O)cc1 ZINC000230106408 572183411 /nfs/dbraw/zinc/18/34/11/572183411.db2.gz METUVYKPOPQCDB-LJXDPWEESA-N 0 1 513.391 4.881 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 ZINC000245237652 572211072 /nfs/dbraw/zinc/21/10/72/572211072.db2.gz PJHZAPTYOADVPS-CTIGNXTNSA-N 0 1 517.644 4.965 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 ZINC000245237653 572211092 /nfs/dbraw/zinc/21/10/92/572211092.db2.gz PJHZAPTYOADVPS-DHTSOJEISA-N 0 1 517.644 4.965 50 0 KJAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000245238059 572211483 /nfs/dbraw/zinc/21/14/83/572211483.db2.gz DZHLJYMOQCOYLT-KCMDQZHASA-N 0 1 532.065 4.613 50 0 KJAAMN CC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 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ZINC000245311707 572229573 /nfs/dbraw/zinc/22/95/73/572229573.db2.gz QOGNHDGKUZYEBQ-YRUYCOJQSA-N 0 1 528.992 4.919 50 0 KJAAMN CC(C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COc1ccccc1 ZINC000245327900 572234383 /nfs/dbraw/zinc/23/43/83/572234383.db2.gz LCVCALLFNVKNRY-BKMJKUGQSA-N 0 1 512.647 4.542 50 0 KJAAMN CC(C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000245328430 572234766 /nfs/dbraw/zinc/23/47/66/572234766.db2.gz OLCSTFRJRVNCAV-RPLLCQBOSA-N 0 1 526.674 4.680 50 0 KJAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)NC1CCCCC1 ZINC000245328857 572235174 /nfs/dbraw/zinc/23/51/74/572235174.db2.gz QEAXXCYAUKMUEJ-CCLHPLFOSA-N 0 1 512.695 4.800 50 0 KJAAMN COc1cccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)c1 ZINC000245329627 572235988 /nfs/dbraw/zinc/23/59/88/572235988.db2.gz UJHHEFAJFCOLEM-PIIWDFAUSA-N 0 1 536.673 4.998 50 0 KJAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Cc1cccs1 ZINC000245330348 572236455 /nfs/dbraw/zinc/23/64/55/572236455.db2.gz XTFCODZKEGEUJZ-UZTOHYMASA-N 0 1 511.688 4.588 50 0 KJAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000245343339 572238213 /nfs/dbraw/zinc/23/82/13/572238213.db2.gz MEKPHYJMPOQCOE-UZTOHYMASA-N 0 1 562.132 4.800 50 0 KJAAMN C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000245343339 572238209 /nfs/dbraw/zinc/23/82/09/572238209.db2.gz MEKPHYJMPOQCOE-UZTOHYMASA-N 0 1 562.132 4.800 50 0 KJAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000245343340 572238539 /nfs/dbraw/zinc/23/85/39/572238539.db2.gz MEKPHYJMPOQCOE-XHCCPWGMSA-N 0 1 562.132 4.800 50 0 KJAAMN COc1cccc(Oc2c(CN(C[C@@H](O)COCC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000245343341 572238489 /nfs/dbraw/zinc/23/84/89/572238489.db2.gz MFOBETOKXVFUEF-SHQCIBLASA-N 0 1 523.674 4.903 50 0 KJAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)COCc1ccccc1 ZINC000245343430 572238590 /nfs/dbraw/zinc/23/85/90/572238590.db2.gz ORJWKIYMQSHCAJ-SMSORMJASA-N 0 1 535.685 4.501 50 0 KJAAMN CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000245343574 572239319 /nfs/dbraw/zinc/23/93/19/572239319.db2.gz SLYHRRLPTAZKKW-ISKFKSNPSA-N 0 1 500.039 4.911 50 0 KJAAMN CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000245343575 572239377 /nfs/dbraw/zinc/23/93/77/572239377.db2.gz SLYHRRLPTAZKKW-LADGPHEKSA-N 0 1 500.039 4.911 50 0 KJAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000245343578 572239365 /nfs/dbraw/zinc/23/93/65/572239365.db2.gz SMJBVKRFXXMFFP-ACSYHNTCSA-N 0 1 523.649 4.666 50 0 KJAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000245343579 572239496 /nfs/dbraw/zinc/23/94/96/572239496.db2.gz SMJBVKRFXXMFFP-AFJIDDCJSA-N 0 1 523.649 4.666 50 0 KJAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000245343598 572239526 /nfs/dbraw/zinc/23/95/26/572239526.db2.gz SZSVCDMMIBRXBM-KPURRNSFSA-N 0 1 519.686 4.835 50 0 KJAAMN COc1ccc(CC(=O)N2CCCN(C(=O)[C@@H](C)N3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000245343633 572239348 /nfs/dbraw/zinc/23/93/48/572239348.db2.gz UUWZYDIYLQFQHI-WVXBCFDCSA-N 0 1 531.722 4.705 50 0 KJAAMN COc1ccccc1NC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@H]1C ZINC000245343697 572239885 /nfs/dbraw/zinc/23/98/85/572239885.db2.gz WWYLSICYVKFRKJ-PIIWDFAUSA-N 0 1 536.673 4.998 50 0 KJAAMN COc1ccccc1NC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@H]1C ZINC000245343697 572239884 /nfs/dbraw/zinc/23/98/84/572239884.db2.gz WWYLSICYVKFRKJ-PIIWDFAUSA-N 0 1 536.673 4.998 50 0 KJAAMN O=C(Nc1ccccc1F)[C@@H](CN(Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1)Oc1cccc(F)c1 ZINC000247724634 572243736 /nfs/dbraw/zinc/24/37/36/572243736.db2.gz CPCDVEWQORVTOI-AJTFRIOCSA-N 0 1 510.537 4.761 50 0 KJAAMN O=C(Nc1ccccc1F)[C@H](CN(Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1)Oc1cccc(F)c1 ZINC000247724643 572243778 /nfs/dbraw/zinc/24/37/78/572243778.db2.gz CPCDVEWQORVTOI-AMGIVPHBSA-N 0 1 510.537 4.761 50 0 KJAAMN C[C@@H]1C[C@H](C(=O)Oc2ccc([C@@H]3c4c(O)n(-c5ccc(Cl)c(Cl)c5)c(O)c4ON3c3ccccc3)cc2)N(C)N1 ZINC000247743947 572244458 /nfs/dbraw/zinc/24/44/58/572244458.db2.gz PJAHPKZIAHIBAP-DKVZCVDGSA-N 0 1 581.456 4.547 50 0 KJAAMN C[C@@H]1C[C@H](C(=O)Oc2ccc([C@@H]3c4c(O)n(-c5ccc(Cl)c(Cl)c5)c(O)c4ON3c3ccccc3)cc2)N(C)N1 ZINC000247743951 572244393 /nfs/dbraw/zinc/24/43/93/572244393.db2.gz PJAHPKZIAHIBAP-NHNMTILXSA-N 0 1 581.456 4.547 50 0 KJAAMN O=C1[C@@H]2[C@H](C(=O)N1Cc1ccccc1)[C@H](Cc1ccccc1)N[C@]21c2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000247747530 572244414 /nfs/dbraw/zinc/24/44/14/572244414.db2.gz QNNLWPJUJVOMJH-AKMMMNCQSA-N 0 1 545.614 4.584 50 0 KJAAMN O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247791203 572245059 /nfs/dbraw/zinc/24/50/59/572245059.db2.gz ADOMKIGZKXWXHB-DEOSSOPVSA-N 0 1 586.534 4.985 50 0 KJAAMN O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247791208 572245030 /nfs/dbraw/zinc/24/50/30/572245030.db2.gz ADOMKIGZKXWXHB-XMMPIXPASA-N 0 1 586.534 4.985 50 0 KJAAMN O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247791888 572244907 /nfs/dbraw/zinc/24/49/07/572244907.db2.gz AKYPVJIRFAXVEH-AREMUKBSSA-N 0 1 556.110 4.935 50 0 KJAAMN O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247791891 572245046 /nfs/dbraw/zinc/24/50/46/572245046.db2.gz AKYPVJIRFAXVEH-SANMLTNESA-N 0 1 556.110 4.935 50 0 KJAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000247806461 572245311 /nfs/dbraw/zinc/24/53/11/572245311.db2.gz BMBQMWVUNOMLOQ-RUZDIDTESA-N 0 1 511.645 4.721 50 0 KJAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000247806466 572245432 /nfs/dbraw/zinc/24/54/32/572245432.db2.gz BMBQMWVUNOMLOQ-VWLOTQADSA-N 0 1 511.645 4.721 50 0 KJAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000247852161 572246239 /nfs/dbraw/zinc/24/62/39/572246239.db2.gz JBBPTNLMTJFOAL-JOCHJYFZSA-N 0 1 515.608 4.865 50 0 KJAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000247852164 572246411 /nfs/dbraw/zinc/24/64/11/572246411.db2.gz JBBPTNLMTJFOAL-QFIPXVFZSA-N 0 1 515.608 4.865 50 0 KJAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5ccccc5)CC4)C3)nc3ccccc32)cc1 ZINC000247868433 572247073 /nfs/dbraw/zinc/24/70/73/572247073.db2.gz CEFWKOMSTPRVHZ-AREMUKBSSA-N 0 1 523.681 4.654 50 0 KJAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5ccccc5)CC4)C3)nc3ccccc32)cc1 ZINC000247868437 572247118 /nfs/dbraw/zinc/24/71/18/572247118.db2.gz CEFWKOMSTPRVHZ-SANMLTNESA-N 0 1 523.681 4.654 50 0 KJAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247869322 572247097 /nfs/dbraw/zinc/24/70/97/572247097.db2.gz QDGRCSQRYSZXDB-JOCHJYFZSA-N 0 1 515.608 4.865 50 0 KJAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247869328 572247105 /nfs/dbraw/zinc/24/71/05/572247105.db2.gz QDGRCSQRYSZXDB-QFIPXVFZSA-N 0 1 515.608 4.865 50 0 KJAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5ccccc5OC)CC4)C3)nc3ccccc32)cc1 ZINC000247874537 572247625 /nfs/dbraw/zinc/24/76/25/572247625.db2.gz GNAHPKKKOAEILY-AREMUKBSSA-N 0 1 553.707 4.663 50 0 KJAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5ccccc5OC)CC4)C3)nc3ccccc32)cc1 ZINC000247874539 572247463 /nfs/dbraw/zinc/24/74/63/572247463.db2.gz GNAHPKKKOAEILY-SANMLTNESA-N 0 1 553.707 4.663 50 0 KJAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5ccc(F)cc5F)CC4)C3)nc3ccccc32)cc1 ZINC000247885453 572248283 /nfs/dbraw/zinc/24/82/83/572248283.db2.gz KRPKAFWGMMHUOM-DEOSSOPVSA-N 0 1 559.661 4.932 50 0 KJAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5ccc(F)cc5F)CC4)C3)nc3ccccc32)cc1 ZINC000247885459 572248255 /nfs/dbraw/zinc/24/82/55/572248255.db2.gz KRPKAFWGMMHUOM-XMMPIXPASA-N 0 1 559.661 4.932 50 0 KJAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5ccccc5F)CC4)C3)nc3ccccc32)cc1 ZINC000247894520 572248774 /nfs/dbraw/zinc/24/87/74/572248774.db2.gz NWTMIFWTMSKOAG-RUZDIDTESA-N 0 1 541.671 4.793 50 0 KJAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5ccccc5F)CC4)C3)nc3ccccc32)cc1 ZINC000247894528 572248789 /nfs/dbraw/zinc/24/87/89/572248789.db2.gz NWTMIFWTMSKOAG-VWLOTQADSA-N 0 1 541.671 4.793 50 0 KJAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(C(=O)c5ccccc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247902658 572249004 /nfs/dbraw/zinc/24/90/04/572249004.db2.gz RLLCYZPISXJLJJ-RUZDIDTESA-N 0 1 586.136 4.943 50 0 KJAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(C(=O)c5ccccc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247902661 572248910 /nfs/dbraw/zinc/24/89/10/572248910.db2.gz RLLCYZPISXJLJJ-VWLOTQADSA-N 0 1 586.136 4.943 50 0 KJAAMN C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000247928582 572249834 /nfs/dbraw/zinc/24/98/34/572249834.db2.gz BSLNTCMTDKFTLK-GZFHLBNCSA-N 0 1 506.389 4.533 50 0 KJAAMN COc1ccc(C(=O)[C@@H]2[C@]3(C(=O)Nc4ccccc43)[C@@H]3CCCN3[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000247947538 572250388 /nfs/dbraw/zinc/25/03/88/572250388.db2.gz XEXABDNAKDLJKS-VTNMBEIJSA-N 0 1 558.034 4.680 50 0 KJAAMN O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247949144 572250576 /nfs/dbraw/zinc/25/05/76/572250576.db2.gz RYHHEPNKPLFDJV-DEOSSOPVSA-N 0 1 586.534 4.985 50 0 KJAAMN O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247949147 572250706 /nfs/dbraw/zinc/25/07/06/572250706.db2.gz RYHHEPNKPLFDJV-XMMPIXPASA-N 0 1 586.534 4.985 50 0 KJAAMN O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@@H]1CCCN1[C@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000247961085 572250954 /nfs/dbraw/zinc/25/09/54/572250954.db2.gz XPHWSLMTNITVDN-APSVEGKFSA-N 0 1 531.534 4.731 50 0 KJAAMN O=C1[C@@H]2[C@@H]3CCCN3[C@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000247961088 572250840 /nfs/dbraw/zinc/25/08/40/572250840.db2.gz XPHWSLMTNITVDN-GYKHTSFTSA-N 0 1 531.534 4.731 50 0 KJAAMN C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000247971106 572251284 /nfs/dbraw/zinc/25/12/84/572251284.db2.gz SIZOWOMSYOWCDN-BULLSLEHSA-N 0 1 505.549 4.519 50 0 KJAAMN Cc1ccc(NC(=O)[C@@H](CN(Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)Oc2cccc(F)c2)cc1 ZINC000248001152 572251858 /nfs/dbraw/zinc/25/18/58/572251858.db2.gz SRGHKSNBCVFOHT-LEAFIULHSA-N 0 1 506.574 4.930 50 0 KJAAMN Cc1ccc(NC(=O)[C@@H](C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)Oc2cccc(F)c2)cc1 ZINC000248001152 572251855 /nfs/dbraw/zinc/25/18/55/572251855.db2.gz SRGHKSNBCVFOHT-LEAFIULHSA-N 0 1 506.574 4.930 50 0 KJAAMN Cc1ccc(NC(=O)[C@H](CN(Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)Oc2cccc(F)c2)cc1 ZINC000248001157 572251825 /nfs/dbraw/zinc/25/18/25/572251825.db2.gz SRGHKSNBCVFOHT-NAKRPHOHSA-N 0 1 506.574 4.930 50 0 KJAAMN Cc1ccc(NC(=O)[C@H](C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)Oc2cccc(F)c2)cc1 ZINC000248001157 572251823 /nfs/dbraw/zinc/25/18/23/572251823.db2.gz SRGHKSNBCVFOHT-NAKRPHOHSA-N 0 1 506.574 4.930 50 0 KJAAMN CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000248004527 572251983 /nfs/dbraw/zinc/25/19/83/572251983.db2.gz PAQNJYXCJVTYNQ-NRFANRHFSA-N 0 1 524.507 4.553 50 0 KJAAMN CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000248004539 572251961 /nfs/dbraw/zinc/25/19/61/572251961.db2.gz PAQNJYXCJVTYNQ-OAQYLSRUSA-N 0 1 524.507 4.553 50 0 KJAAMN Cc1ccccc1OC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C ZINC000248041787 572252841 /nfs/dbraw/zinc/25/28/41/572252841.db2.gz VEEDPRNDVLJSFD-JYFHCDHNSA-N 0 1 526.674 4.851 50 0 KJAAMN Cc1ccccc1OC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C ZINC000248041790 572252781 /nfs/dbraw/zinc/25/27/81/572252781.db2.gz VEEDPRNDVLJSFD-ZEQKJWHPSA-N 0 1 526.674 4.851 50 0 KJAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)COCc2ccccc2)CC1 ZINC000248053990 572253014 /nfs/dbraw/zinc/25/30/14/572253014.db2.gz BCYZFUVJTVSGNR-AYWVHJORSA-N 0 1 531.722 4.670 50 0 KJAAMN CCc1ccc(C(=O)N2CCN(C(=O)[C@H](C)N3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000248074236 572253142 /nfs/dbraw/zinc/25/31/42/572253142.db2.gz HYIFNWWCDWBPAL-RBISFHTESA-N 0 1 501.696 4.940 50 0 KJAAMN CCc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)N3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000248074244 572253133 /nfs/dbraw/zinc/25/31/33/572253133.db2.gz HYIFNWWCDWBPAL-SKCUWOTOSA-N 0 1 501.696 4.940 50 0 KJAAMN Cc1ccc(C2=C(O)[C@H]3C(=C(O)c4ccc(Br)cc4)N4N=Cc5ccccc5[C@H]4C3=C2O)cc1 ZINC000248089745 572253376 /nfs/dbraw/zinc/25/33/76/572253376.db2.gz METUVYKPOPQCDB-ARXROMJUSA-N 0 1 513.391 4.881 50 0 KJAAMN Cc1ccc(C2=C(O)[C@H]3C(=C(O)c4ccc(Br)cc4)N4N=Cc5ccccc5[C@@H]4C3=C2O)cc1 ZINC000248089749 572253469 /nfs/dbraw/zinc/25/34/69/572253469.db2.gz METUVYKPOPQCDB-UBCNIHEASA-N 0 1 513.391 4.881 50 0 KJAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000248102709 572253536 /nfs/dbraw/zinc/25/35/36/572253536.db2.gz PPJXBHVERXQFAG-JIPXPUAJSA-N 0 1 507.725 4.758 50 0 KJAAMN COc1cc(OC)cc(C(=O)N2CCCN(C(=O)[C@@H](C)N3CCc4sccc4[C@H]3c3ccccc3C)CC2)c1 ZINC000248107940 572253793 /nfs/dbraw/zinc/25/37/93/572253793.db2.gz RHHFFIGCVYAZFR-KPURRNSFSA-N 0 1 547.721 4.784 50 0 KJAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000248109892 572253766 /nfs/dbraw/zinc/25/37/66/572253766.db2.gz RZKGZAIUXHYULW-FQRUVTKNSA-N 0 1 544.142 4.579 50 0 KJAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000248118433 572254034 /nfs/dbraw/zinc/25/40/34/572254034.db2.gz WFQMAZIXUZIYPM-JIPXPUAJSA-N 0 1 505.659 4.906 50 0 KJAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5ccc(C)cc5)CC4)C3)nc3ccccc32)cc1 ZINC000248122601 572254276 /nfs/dbraw/zinc/25/42/76/572254276.db2.gz SJKZEYNUIJLDSS-HHHXNRCGSA-N 0 1 537.708 4.962 50 0 KJAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5ccc(C)cc5)CC4)C3)nc3ccccc32)cc1 ZINC000248122605 572254235 /nfs/dbraw/zinc/25/42/35/572254235.db2.gz SJKZEYNUIJLDSS-MHZLTWQESA-N 0 1 537.708 4.962 50 0 KJAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5cccc(C)c5)CC4)C3)nc3ccccc32)cc1 ZINC000248131222 572254640 /nfs/dbraw/zinc/25/46/40/572254640.db2.gz XDURCEYEIWRNKT-HHHXNRCGSA-N 0 1 537.708 4.962 50 0 KJAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5cccc(C)c5)CC4)C3)nc3ccccc32)cc1 ZINC000248131225 572254632 /nfs/dbraw/zinc/25/46/32/572254632.db2.gz XDURCEYEIWRNKT-MHZLTWQESA-N 0 1 537.708 4.962 50 0 KJAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5ccccc5C)CC4)C3)nc3ccccc32)cc1 ZINC000248135631 572254954 /nfs/dbraw/zinc/25/49/54/572254954.db2.gz ZOLZVALAKARLQC-HHHXNRCGSA-N 0 1 537.708 4.962 50 0 KJAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5ccccc5C)CC4)C3)nc3ccccc32)cc1 ZINC000248135635 572254987 /nfs/dbraw/zinc/25/49/87/572254987.db2.gz ZOLZVALAKARLQC-MHZLTWQESA-N 0 1 537.708 4.962 50 0 KJAAMN Cc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000248143026 572255431 /nfs/dbraw/zinc/25/54/31/572255431.db2.gz GHPIKNYQTUTXCM-LYZGTLIUSA-N 0 1 505.659 4.906 50 0 KJAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5cccc(OC)c5)CC4)C3)nc3ccccc32)cc1 ZINC000248146346 572255393 /nfs/dbraw/zinc/25/53/93/572255393.db2.gz SQRGFJNIGWEFMB-AREMUKBSSA-N 0 1 553.707 4.663 50 0 KJAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5cccc(OC)c5)CC4)C3)nc3ccccc32)cc1 ZINC000248146349 572255463 /nfs/dbraw/zinc/25/54/63/572255463.db2.gz SQRGFJNIGWEFMB-SANMLTNESA-N 0 1 553.707 4.663 50 0 KJAAMN COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1 ZINC000248151660 572255791 /nfs/dbraw/zinc/25/57/91/572255791.db2.gz WKOLVTOKZXGFNK-HSZRJFAPSA-N 0 1 527.644 4.734 50 0 KJAAMN COc1cccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1 ZINC000248151663 572255768 /nfs/dbraw/zinc/25/57/68/572255768.db2.gz WKOLVTOKZXGFNK-QHCPKHFHSA-N 0 1 527.644 4.734 50 0 KJAAMN COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000248151797 572255775 /nfs/dbraw/zinc/25/57/75/572255775.db2.gz WRXCMIWPALOPGL-HSZRJFAPSA-N 0 1 527.644 4.734 50 0 KJAAMN COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000248151801 572255803 /nfs/dbraw/zinc/25/58/03/572255803.db2.gz WRXCMIWPALOPGL-QHCPKHFHSA-N 0 1 527.644 4.734 50 0 KJAAMN CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4ccccc4N4CCN(Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248289328 572257803 /nfs/dbraw/zinc/25/78/03/572257803.db2.gz JBJYBMJNDUNNLP-IZEXYCQBSA-N 0 1 508.622 4.519 50 0 KJAAMN CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccccc4N4CCN(Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248289329 572257715 /nfs/dbraw/zinc/25/77/15/572257715.db2.gz JBJYBMJNDUNNLP-QCENPCRXSA-N 0 1 508.622 4.519 50 0 KJAAMN CCn1c2ccccc2nc1CN1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000249684714 572258696 /nfs/dbraw/zinc/25/86/96/572258696.db2.gz DZODBGWNTUMCFI-FQEVSTJZSA-N 0 1 528.484 4.560 50 0 KJAAMN CCn1c2ccccc2nc1CN1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000249684716 572258786 /nfs/dbraw/zinc/25/87/86/572258786.db2.gz DZODBGWNTUMCFI-HXUWFJFHSA-N 0 1 528.484 4.560 50 0 KJAAMN CCn1c2ccccc2nc1CN1CCC[C@H](C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)C1 ZINC000249687770 572258725 /nfs/dbraw/zinc/25/87/25/572258725.db2.gz HTBQOKLCKXUYPQ-IBGZPJMESA-N 0 1 500.474 4.924 50 0 KJAAMN CCn1c2ccccc2nc1CN1CCC[C@@H](C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)C1 ZINC000249687771 572258662 /nfs/dbraw/zinc/25/86/62/572258662.db2.gz HTBQOKLCKXUYPQ-LJQANCHMSA-N 0 1 500.474 4.924 50 0 KJAAMN CCn1c2ccccc2nc1CN1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000249696158 572258804 /nfs/dbraw/zinc/25/88/04/572258804.db2.gz SDCRAFZKOASRMY-IBGZPJMESA-N 0 1 528.484 4.560 50 0 KJAAMN CCn1c2ccccc2nc1CN1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000249696159 572258834 /nfs/dbraw/zinc/25/88/34/572258834.db2.gz SDCRAFZKOASRMY-LJQANCHMSA-N 0 1 528.484 4.560 50 0 KJAAMN CCn1c2ccccc2nc1CN1CCC[C@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000249700655 572258795 /nfs/dbraw/zinc/25/87/95/572258795.db2.gz XRPJIAXKPAGEOB-IBGZPJMESA-N 0 1 528.484 4.560 50 0 KJAAMN CCn1c2ccccc2nc1CN1CCC[C@@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000249700656 572258886 /nfs/dbraw/zinc/25/88/86/572258886.db2.gz XRPJIAXKPAGEOB-LJQANCHMSA-N 0 1 528.484 4.560 50 0 KJAAMN O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000250538472 572259045 /nfs/dbraw/zinc/25/90/45/572259045.db2.gz OPAXLTNMTZCRFY-HOFKKMOUSA-N 0 1 521.404 4.514 50 0 KJAAMN COC(=O)[C@@H]1[C@H](C)[C@H](OC)/C=C\O[C@@]2(C)Oc3c(c4c(O)cc(c(O)c4c(O)c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C)C2=O ZINC000252286710 572260038 /nfs/dbraw/zinc/26/00/38/572260038.db2.gz BZOQTGADCSFWHV-HKNPXBGSSA-N 0 1 697.778 4.612 50 0 KJAAMN CC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12 ZINC000252311070 572260016 /nfs/dbraw/zinc/26/00/16/572260016.db2.gz SBGUJUZVKRHORC-KCMDQZHASA-N 0 1 550.442 4.932 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CC(C)C)C(=O)Nc3n[nH]c(C(C)C)n3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252540588 572263255 /nfs/dbraw/zinc/26/32/55/572263255.db2.gz POWRHBROCXZBRM-ISKFKSNPSA-N 0 1 606.724 4.570 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CC(C)C)C(=O)Nc3nc(C(C)C)n[nH]3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252540588 572263253 /nfs/dbraw/zinc/26/32/53/572263253.db2.gz POWRHBROCXZBRM-ISKFKSNPSA-N 0 1 606.724 4.570 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CC(C)C)C(=O)Nc3n[nH]c(C(C)C)n3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000252540589 572263240 /nfs/dbraw/zinc/26/32/40/572263240.db2.gz POWRHBROCXZBRM-LADGPHEKSA-N 0 1 606.724 4.570 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CC(C)C)C(=O)Nc3nc(C(C)C)n[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000252540589 572263239 /nfs/dbraw/zinc/26/32/39/572263239.db2.gz POWRHBROCXZBRM-LADGPHEKSA-N 0 1 606.724 4.570 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3n[nH]c(C(C)C)n3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252540590 572263221 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KEEBNGJYLXJSPC-WZLHISIQSA-N 0 1 623.169 4.641 50 0 KJAAMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCN(C)Cc3ccccc3)C(=O)[C@H]3[C@H](C(=O)Nc4ccc(F)c(Cl)c4)[C@H]4C=C[C@@]23O4)[C@@H]1C ZINC000252585655 572264802 /nfs/dbraw/zinc/26/48/02/572264802.db2.gz KEEBNGJYLXJSPC-YGFMDWEISA-N 0 1 623.169 4.641 50 0 KJAAMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCN(C)Cc3ccccc3)C(=O)[C@H]3[C@H](C(=O)Nc4cccc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@@H]1C ZINC000252586581 572265529 /nfs/dbraw/zinc/26/55/29/572265529.db2.gz RAHSRDRVDQMHRQ-CEISMRCVSA-N 0 1 605.179 4.502 50 0 KJAAMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCN(C)Cc3ccccc3)C(=O)[C@H]3[C@@H](C(=O)Nc4cccc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@H]1C ZINC000252586582 572265547 /nfs/dbraw/zinc/26/55/47/572265547.db2.gz RAHSRDRVDQMHRQ-DYMBHUISSA-N 0 1 605.179 4.502 50 0 KJAAMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCN(C)Cc3ccccc3)C(=O)[C@H]3[C@@H](C(=O)Nc4cccc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@@H]1C ZINC000252586583 572265521 /nfs/dbraw/zinc/26/55/21/572265521.db2.gz RAHSRDRVDQMHRQ-VPNZLPEKSA-N 0 1 605.179 4.502 50 0 KJAAMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCN(C)Cc3ccccc3)C(=O)[C@H]3[C@H](C(=O)Nc4cccc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@H]1C ZINC000252586584 572265542 /nfs/dbraw/zinc/26/55/42/572265542.db2.gz RAHSRDRVDQMHRQ-ZEHCTVNQSA-N 0 1 605.179 4.502 50 0 KJAAMN Oc1c(Br)cc(Br)cc1CN=Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1 ZINC000252597740 572267187 /nfs/dbraw/zinc/26/71/87/572267187.db2.gz CUSZHTWAQOWKBR-UHFFFAOYSA-N 0 1 533.228 4.892 50 0 KJAAMN Brc1cccc(-c2ccc(C=NN=c3nc(Nc4ccccc4)[nH]c(N4CCOCC4)n3)o2)c1 ZINC000252636324 572271846 /nfs/dbraw/zinc/27/18/46/572271846.db2.gz XHCZPZLXYCDZKD-UHFFFAOYSA-N 0 1 520.391 4.920 50 0 KJAAMN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(=O)c(=Cc3cc(Cl)cc(Cl)c3O)sc2=N1 ZINC000252669086 572274563 /nfs/dbraw/zinc/27/45/63/572274563.db2.gz GLGODNVPKDMUGL-HSZRJFAPSA-N 0 1 536.440 4.886 50 0 KJAAMN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(=O)c(=Cc3cc(Cl)cc(Cl)c3O)sc2=N1 ZINC000252669087 572274537 /nfs/dbraw/zinc/27/45/37/572274537.db2.gz GLGODNVPKDMUGL-QHCPKHFHSA-N 0 1 536.440 4.886 50 0 KJAAMN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000252670561 572276142 /nfs/dbraw/zinc/27/61/42/572276142.db2.gz KZLRKSVNZPYGRB-IBGZPJMESA-N 0 1 568.276 4.573 50 0 KJAAMN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000252670562 572276159 /nfs/dbraw/zinc/27/61/59/572276159.db2.gz KZLRKSVNZPYGRB-LJQANCHMSA-N 0 1 568.276 4.573 50 0 KJAAMN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1ccccc1Cl ZINC000252677375 572280760 /nfs/dbraw/zinc/28/07/60/572280760.db2.gz YNFXZYCFJMWZBR-IBGZPJMESA-N 0 1 568.276 4.573 50 0 KJAAMN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000252677376 572280727 /nfs/dbraw/zinc/28/07/27/572280727.db2.gz YNFXZYCFJMWZBR-LJQANCHMSA-N 0 1 568.276 4.573 50 0 KJAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000253389416 572283356 /nfs/dbraw/zinc/28/33/56/572283356.db2.gz KFARHHAATVLQPD-IXSCWARWSA-N 0 1 513.707 4.867 50 0 KJAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000253389417 572283348 /nfs/dbraw/zinc/28/33/48/572283348.db2.gz KFARHHAATVLQPD-MEIPAHJSSA-N 0 1 513.707 4.867 50 0 KJAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000253389418 572283359 /nfs/dbraw/zinc/28/33/59/572283359.db2.gz KFARHHAATVLQPD-WDDJKNHOSA-N 0 1 513.707 4.867 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3nc(CCC4CCCC4)n[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253411456 572287549 /nfs/dbraw/zinc/28/75/49/572287549.db2.gz OQBKMNDTYUDCES-VWLOTQADSA-N 0 1 632.762 4.935 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3n[nH]c(CCC4CCCC4)n3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253411456 572287547 /nfs/dbraw/zinc/28/75/47/572287547.db2.gz OQBKMNDTYUDCES-VWLOTQADSA-N 0 1 632.762 4.935 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3nc(CCc4ccccc4)n[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253414685 572288945 /nfs/dbraw/zinc/28/89/45/572288945.db2.gz YFOODXPNHMNCNE-SANMLTNESA-N 0 1 640.741 4.597 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3nnc(CCc4ccccc4)[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253414685 572288943 /nfs/dbraw/zinc/28/89/43/572288943.db2.gz YFOODXPNHMNCNE-SANMLTNESA-N 0 1 640.741 4.597 50 0 KJAAMN COc1cc([C@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)c2c(O)cc(C)oc2=O)c(OC)c2c1OCO2 ZINC000253471276 572289637 /nfs/dbraw/zinc/28/96/37/572289637.db2.gz OPIYHTSWBHWRNZ-HNNXBMFYSA-N 0 1 521.444 4.579 50 0 KJAAMN COc1cc([C@@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)c2c(O)cc(C)oc2=O)c(OC)c2c1OCO2 ZINC000253471277 572289652 /nfs/dbraw/zinc/28/96/52/572289652.db2.gz OPIYHTSWBHWRNZ-OAHLLOKOSA-N 0 1 521.444 4.579 50 0 KJAAMN COc1cc([C@H](CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c(O)cc(C)oc2=O)cc(OC)c1OC ZINC000253471525 572289792 /nfs/dbraw/zinc/28/97/92/572289792.db2.gz UUGBMEKSILGJNT-KRWDZBQOSA-N 0 1 523.460 4.739 50 0 KJAAMN COc1cc([C@@H](CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c(O)cc(C)oc2=O)cc(OC)c1OC ZINC000253471527 572289798 /nfs/dbraw/zinc/28/97/98/572289798.db2.gz UUGBMEKSILGJNT-QGZVFWFLSA-N 0 1 523.460 4.739 50 0 KJAAMN COc1cc([C@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)c2c(O)cc(C)oc2=O)cc(OC)c1OC ZINC000253471785 572289757 /nfs/dbraw/zinc/28/97/57/572289757.db2.gz ZQYCVAZEFQQFLK-KRWDZBQOSA-N 0 1 507.461 4.859 50 0 KJAAMN COc1cc([C@@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)c2c(O)cc(C)oc2=O)cc(OC)c1OC ZINC000253471786 572289752 /nfs/dbraw/zinc/28/97/52/572289752.db2.gz ZQYCVAZEFQQFLK-QGZVFWFLSA-N 0 1 507.461 4.859 50 0 KJAAMN CCOc1cc(C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc(OCC)c1OCC ZINC000254340965 1067142630 /nfs/dbraw/zinc/14/26/30/1067142630.db2.gz HCOYMCBWCNAMAH-UHFFFAOYSA-N 0 1 530.213 4.877 50 0 KJAAMN COc1ccc(NC(=O)C(C#N)=NNc2ccc(OC)c(S(=O)(=O)Nc3ccc(OC)c(Br)c3)c2)cc1Cl ZINC000254381765 1067144010 /nfs/dbraw/zinc/14/40/10/1067144010.db2.gz XCNCLFXYXHQETK-UHFFFAOYSA-N 0 1 622.885 4.859 50 0 KJAAMN Cn1c2ccccc2nc1SCC(=O)NN=Cc1c2c(cc(Br)c1O)oc1c2CCCC1 ZINC000254384360 1067144105 /nfs/dbraw/zinc/14/41/05/1067144105.db2.gz NDEFRQZZWXKRIC-UHFFFAOYSA-N 0 1 513.417 4.909 50 0 KJAAMN COc1cc(CN=Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2[N+](=O)[O-])cc(OC)c1OC ZINC000254407459 1067144800 /nfs/dbraw/zinc/14/48/00/1067144800.db2.gz DRZGTDQJJBERDW-UHFFFAOYSA-N 0 1 520.951 4.521 50 0 KJAAMN CN=c1scc(-c2cc(OC)ccc2OC)n1N=Cc1cc(Br)cc(Br)c1O ZINC000254413013 1067144812 /nfs/dbraw/zinc/14/48/12/1067144812.db2.gz PGWJSAHYGASUTR-UHFFFAOYSA-N 0 1 527.238 4.877 50 0 KJAAMN Oc1c(I)cc(I)cc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000254560408 1067148745 /nfs/dbraw/zinc/14/87/45/1067148745.db2.gz SKAKKEFESMTVES-UHFFFAOYSA-N 0 1 582.592 4.684 50 0 KJAAMN CC(=O)C(=NNc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000254565365 1067148656 /nfs/dbraw/zinc/14/86/56/1067148656.db2.gz AXHQOZZKIXPHAB-UHFFFAOYSA-N 0 1 505.383 4.790 50 0 KJAAMN O=C(C(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1)c1ccccn1)c1ccccn1 ZINC000254609214 1067149981 /nfs/dbraw/zinc/14/99/81/1067149981.db2.gz ZGXASIRCGNASCU-UHFFFAOYSA-N 0 1 536.957 4.538 50 0 KJAAMN CCOc1ccc(NS(=O)(=O)c2cc(NN=C(C(=O)OC)c3nc4ccccc4[nH]3)ccc2OC)cc1Br ZINC000254628240 1066475717 /nfs/dbraw/zinc/47/57/17/1066475717.db2.gz YURHZKKKRPNBFN-UHFFFAOYSA-N 0 1 602.467 4.523 50 0 KJAAMN CCOc1ccc(CN=Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2[N+](=O)[O-])cc1OC ZINC000254632239 1067150648 /nfs/dbraw/zinc/15/06/48/1067150648.db2.gz SQRQUIAZSYSKQY-UHFFFAOYSA-N 0 1 504.952 4.902 50 0 KJAAMN O=C(NN=CC1=C(N2CCOCC2)C(=Cc2ccc(Cl)cc2Cl)CC1)c1[nH]nc2c1CCCC2 ZINC000254697947 1067150469 /nfs/dbraw/zinc/15/04/69/1067150469.db2.gz DQRNYUPBXICNJI-YPCFKUSHSA-N 0 1 500.430 4.775 50 0 KJAAMN COc1cc(OC)c(CN=Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2[N+](=O)[O-])c(OC)c1 ZINC000254738929 1067152653 /nfs/dbraw/zinc/15/26/53/1067152653.db2.gz OXCIVJGRJCIMHI-UHFFFAOYSA-N 0 1 520.951 4.521 50 0 KJAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)c1 ZINC000254816266 1067154218 /nfs/dbraw/zinc/15/42/18/1067154218.db2.gz LLKMFSNBLOWHOD-UHFFFAOYSA-N 0 1 541.992 4.547 50 0 KJAAMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Br)c1OCC(=O)N(C)C ZINC000254822119 1067154305 /nfs/dbraw/zinc/15/43/05/1067154305.db2.gz DIZQBGHVPPIOOC-UHFFFAOYSA-N 0 1 533.301 4.688 50 0 KJAAMN COc1ccc(NN=C(C(C)=O)C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000254840899 1067155039 /nfs/dbraw/zinc/15/50/39/1067155039.db2.gz KCENLTNNGULHGL-UHFFFAOYSA-N 0 1 579.860 4.908 50 0 KJAAMN COc1ccc(CN=Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2[N+](=O)[O-])c(OC)c1OC ZINC000254907465 1067156273 /nfs/dbraw/zinc/15/62/73/1067156273.db2.gz JEIFJHOORYIHAQ-UHFFFAOYSA-N 0 1 520.951 4.521 50 0 KJAAMN Clc1cccc(Cn2nc(CNCCSc3nnnn3-c3ccccc3)c(-c3ccccc3)n2)c1 ZINC000261491635 572110310 /nfs/dbraw/zinc/11/03/10/572110310.db2.gz AADGQCSJYLLGGU-UHFFFAOYSA-N 0 1 503.035 4.504 50 0 KJAAMN Clc1ccc(Cn2nc(CNCCSc3nnnn3-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000261491713 572110465 /nfs/dbraw/zinc/11/04/65/572110465.db2.gz FAVDOAZOJSTWFP-UHFFFAOYSA-N 0 1 503.035 4.504 50 0 KJAAMN Fc1cccc(Cl)c1Cn1nc(CNCCSc2nnnn2-c2ccccc2)c(-c2ccccc2)n1 ZINC000261492223 572110447 /nfs/dbraw/zinc/11/04/47/572110447.db2.gz WBFRUNCYPJOMOR-UHFFFAOYSA-N 0 1 521.025 4.644 50 0 KJAAMN Clc1ccccc1Cn1nc(CNCCSc2nnnn2-c2ccccc2)c(-c2ccccc2)n1 ZINC000261492595 572110888 /nfs/dbraw/zinc/11/08/88/572110888.db2.gz NFRDHQSOQSOGGZ-UHFFFAOYSA-N 0 1 503.035 4.504 50 0 KJAAMN Fc1ccc(Cn2nc(CNCCSc3nnnn3-c3ccccc3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000261492615 572111070 /nfs/dbraw/zinc/11/10/70/572111070.db2.gz TTZJSJCGAHVSPG-UHFFFAOYSA-N 0 1 521.025 4.644 50 0 KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cccc(OC)c2OC)cc1OC ZINC000263585016 572116575 /nfs/dbraw/zinc/11/65/75/572116575.db2.gz DFWAMGWUILKTNJ-INIZCTEOSA-N 0 1 504.491 4.641 50 0 KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cccc(OC)c2OC)cc1OC ZINC000263585017 572116395 /nfs/dbraw/zinc/11/63/95/572116395.db2.gz DFWAMGWUILKTNJ-MRXNPFEDSA-N 0 1 504.491 4.641 50 0 KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(OC)c(OC)c2)cc1OC ZINC000263585021 572116518 /nfs/dbraw/zinc/11/65/18/572116518.db2.gz DHNOMUOMJYBEQY-INIZCTEOSA-N 0 1 504.491 4.641 50 0 KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(OC)c(OC)c2)cc1OC ZINC000263585022 572116462 /nfs/dbraw/zinc/11/64/62/572116462.db2.gz DHNOMUOMJYBEQY-MRXNPFEDSA-N 0 1 504.491 4.641 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3ccc4nc(CO)[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585304 572117575 /nfs/dbraw/zinc/11/75/75/572117575.db2.gz HDMRMQAQSZTYMH-CUBQBAPOSA-N 0 1 643.741 4.697 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccc4nc[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585539 572118735 /nfs/dbraw/zinc/11/87/35/572118735.db2.gz JVKROAWDXKQJKW-QHCPKHFHSA-N 0 1 585.661 4.570 50 0 KJAAMN COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(OC)c(OC)c5)coc-4c32)c(OC)c1 ZINC000263585709 572119624 /nfs/dbraw/zinc/11/96/24/572119624.db2.gz LOBPZZAJJDIIDS-KRWDZBQOSA-N 0 1 504.491 4.641 50 0 KJAAMN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(OC)c(OC)c5)coc-4c32)c(OC)c1 ZINC000263585710 572119723 /nfs/dbraw/zinc/11/97/23/572119723.db2.gz LOBPZZAJJDIIDS-QGZVFWFLSA-N 0 1 504.491 4.641 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3nc(CCc4ccccc4)n[nH]3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585719 572119675 /nfs/dbraw/zinc/11/96/75/572119675.db2.gz LOVOCVGYZTZDMK-IEWVHIKDSA-N 0 1 654.768 4.842 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3n[nH]c(CCc4ccccc4)n3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585719 572119674 /nfs/dbraw/zinc/11/96/74/572119674.db2.gz LOVOCVGYZTZDMK-IEWVHIKDSA-N 0 1 654.768 4.842 50 0 KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2coc3ccccc3c2=O)cc1OC ZINC000263585875 572120410 /nfs/dbraw/zinc/12/04/10/572120410.db2.gz NMYTWDLIORMCAL-INIZCTEOSA-N 0 1 512.470 4.730 50 0 KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2coc3ccccc3c2=O)cc1OC ZINC000263585876 572120483 /nfs/dbraw/zinc/12/04/83/572120483.db2.gz NMYTWDLIORMCAL-MRXNPFEDSA-N 0 1 512.470 4.730 50 0 KJAAMN COc1ccc2cc([C@@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(OC)c(OC)c6)coc-5c43)c(=O)[nH]c2c1 ZINC000263585881 572120285 /nfs/dbraw/zinc/12/02/85/572120285.db2.gz NNNRPWIDAJWBFK-KRWDZBQOSA-N 0 1 541.512 4.886 50 0 KJAAMN COc1ccc2cc([C@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(OC)c(OC)c6)coc-5c43)c(=O)[nH]c2c1 ZINC000263585882 572120422 /nfs/dbraw/zinc/12/04/22/572120422.db2.gz NNNRPWIDAJWBFK-QGZVFWFLSA-N 0 1 541.512 4.886 50 0 KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cc3cccc4c3n(c2=O)CCC4)cc1OC ZINC000263586043 572121497 /nfs/dbraw/zinc/12/14/97/572121497.db2.gz PDSXCCOQUZAXNS-IBGZPJMESA-N 0 1 551.551 4.885 50 0 KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cc3cccc4c3n(c2=O)CCC4)cc1OC ZINC000263586044 572121417 /nfs/dbraw/zinc/12/14/17/572121417.db2.gz PDSXCCOQUZAXNS-LJQANCHMSA-N 0 1 551.551 4.885 50 0 KJAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(CO)[nH]c2c1 ZINC000263586077 572121591 /nfs/dbraw/zinc/12/15/91/572121591.db2.gz PSJUQPKUZULEHL-SFNSCEKISA-N 0 1 643.741 4.697 50 0 KJAAMN COC(=O)C[C@@H](c1ccc(SC)cc1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000263586096 572121633 /nfs/dbraw/zinc/12/16/33/572121633.db2.gz PZAKEZOODSVUDR-PPHZAIPVSA-N 0 1 509.580 4.746 50 0 KJAAMN COC(=O)C[C@@H](c1ccc(SC)cc1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000263586097 572121599 /nfs/dbraw/zinc/12/15/99/572121599.db2.gz PZAKEZOODSVUDR-UZTOHYMASA-N 0 1 509.580 4.746 50 0 KJAAMN COC(=O)C[C@H](c1ccc(SC)cc1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000263586098 572121481 /nfs/dbraw/zinc/12/14/81/572121481.db2.gz PZAKEZOODSVUDR-WINIVTDRSA-N 0 1 509.580 4.746 50 0 KJAAMN COC(=O)C[C@H](c1ccc(SC)cc1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000263586099 572121663 /nfs/dbraw/zinc/12/16/63/572121663.db2.gz PZAKEZOODSVUDR-XHCCPWGMSA-N 0 1 509.580 4.746 50 0 KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cc(OC)c(OC)cc2OC)cc1OC ZINC000263586282 572122525 /nfs/dbraw/zinc/12/25/25/572122525.db2.gz SDINROPVLAAPGR-INIZCTEOSA-N 0 1 534.517 4.650 50 0 KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cc(OC)c(OC)cc2OC)cc1OC ZINC000263586283 572122429 /nfs/dbraw/zinc/12/24/29/572122429.db2.gz SDINROPVLAAPGR-MRXNPFEDSA-N 0 1 534.517 4.650 50 0 KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000263586406 572123187 /nfs/dbraw/zinc/12/31/87/572123187.db2.gz UDGLPHBBKNAMLU-INIZCTEOSA-N 0 1 534.517 4.650 50 0 KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000263586407 572123066 /nfs/dbraw/zinc/12/30/66/572123066.db2.gz UDGLPHBBKNAMLU-MRXNPFEDSA-N 0 1 534.517 4.650 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3ccc4nc[nH]c4c3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586494 572123500 /nfs/dbraw/zinc/12/35/00/572123500.db2.gz VABWBDJRFCXSQJ-JHOBJCJYSA-N 0 1 599.688 4.815 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3ccc4nc[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586566 572123700 /nfs/dbraw/zinc/12/37/00/572123700.db2.gz VVLGRXQGVUVLMV-OZXSUGGESA-N 0 1 631.755 4.912 50 0 KJAAMN COc1ccc2occ([C@@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(OC)c(OC)c6)coc-5c43)c(=O)c2c1 ZINC000263586661 572124105 /nfs/dbraw/zinc/12/41/05/572124105.db2.gz WQPBEXIQFTXWHL-INIZCTEOSA-N 0 1 542.496 4.739 50 0 KJAAMN COc1ccc2occ([C@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(OC)c(OC)c6)coc-5c43)c(=O)c2c1 ZINC000263586662 572124149 /nfs/dbraw/zinc/12/41/49/572124149.db2.gz WQPBEXIQFTXWHL-MRXNPFEDSA-N 0 1 542.496 4.739 50 0 KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(OC)c(OC)c2OC)cc1OC ZINC000263586703 572124738 /nfs/dbraw/zinc/12/47/38/572124738.db2.gz XAXOMTLXCYERLO-INIZCTEOSA-N 0 1 534.517 4.650 50 0 KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(OC)c(OC)c2OC)cc1OC ZINC000263586704 572124594 /nfs/dbraw/zinc/12/45/94/572124594.db2.gz XAXOMTLXCYERLO-MRXNPFEDSA-N 0 1 534.517 4.650 50 0 KJAAMN O=C(c1ccc(-n2ccnc2)cc1)N1CCC(Oc2cccc(CN3CCN(c4ccccc4)CC3)c2)CC1 ZINC000299767162 1066392798 /nfs/dbraw/zinc/39/27/98/1066392798.db2.gz GKYYVGXGDAUSNV-UHFFFAOYSA-N 0 1 521.665 4.878 50 0 KJAAMN COc1cc2nc(N3CCC[C@H](O)C3)c(CNCc3ccc(C(F)(F)F)cc3)cc2c(OC)c1OC ZINC000299776330 1066393355 /nfs/dbraw/zinc/39/33/55/1066393355.db2.gz AFINHVYKHVXIDN-IBGZPJMESA-N 0 1 505.537 4.530 50 0 KJAAMN COc1cc2nc(N3CCC[C@@H](O)C3)c(CNCc3ccc(C(F)(F)F)cc3)cc2c(OC)c1OC ZINC000299776334 1066393603 /nfs/dbraw/zinc/39/36/03/1066393603.db2.gz AFINHVYKHVXIDN-LJQANCHMSA-N 0 1 505.537 4.530 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3nc(CCc4ccccc4)n[nH]3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413417 1066207992 /nfs/dbraw/zinc/20/79/92/1066207992.db2.gz LOVOCVGYZTZDMK-DICHSLLOSA-N 0 1 654.768 4.842 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3n[nH]c(CCc4ccccc4)n3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413417 1066207984 /nfs/dbraw/zinc/20/79/84/1066207984.db2.gz LOVOCVGYZTZDMK-DICHSLLOSA-N 0 1 654.768 4.842 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3nc(CCc4ccccc4)n[nH]3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413423 1066369904 /nfs/dbraw/zinc/36/99/04/1066369904.db2.gz LOVOCVGYZTZDMK-HVIPQOSHSA-N 0 1 654.768 4.842 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3n[nH]c(CCc4ccccc4)n3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413423 1066369895 /nfs/dbraw/zinc/36/98/95/1066369895.db2.gz LOVOCVGYZTZDMK-HVIPQOSHSA-N 0 1 654.768 4.842 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3nc(CCc4ccccc4)n[nH]3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409413425 1066208739 /nfs/dbraw/zinc/20/87/39/1066208739.db2.gz LOVOCVGYZTZDMK-XYFQYJLHSA-N 0 1 654.768 4.842 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3n[nH]c(CCc4ccccc4)n3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409413425 1066208724 /nfs/dbraw/zinc/20/87/24/1066208724.db2.gz LOVOCVGYZTZDMK-XYFQYJLHSA-N 0 1 654.768 4.842 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3cccc(-c4nnc[nH]4)c3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413602 1066370546 /nfs/dbraw/zinc/37/05/46/1066370546.db2.gz OIROCBJUEZTXCR-FYBSXPHGSA-N 0 1 626.714 4.723 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3cccc(-c4nnc[nH]4)c3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413608 1066370513 /nfs/dbraw/zinc/37/05/13/1066370513.db2.gz OIROCBJUEZTXCR-RNAHPLFWSA-N 0 1 626.714 4.723 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3cccc(-c4nnc[nH]4)c3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409413609 1066208813 /nfs/dbraw/zinc/20/88/13/1066208813.db2.gz OIROCBJUEZTXCR-SETSBSEESA-N 0 1 626.714 4.723 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3nc(CCC4CCCC4)n[nH]3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413627 1066208512 /nfs/dbraw/zinc/20/85/12/1066208512.db2.gz OQBKMNDTYUDCES-RUZDIDTESA-N 0 1 632.762 4.935 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3n[nH]c(CCC4CCCC4)n3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413627 1066208501 /nfs/dbraw/zinc/20/85/01/1066208501.db2.gz OQBKMNDTYUDCES-RUZDIDTESA-N 0 1 632.762 4.935 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CC(C)C)C(=O)Nc3ccc4nc(CO)[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409413948 1066208570 /nfs/dbraw/zinc/20/85/70/1066208570.db2.gz HDMRMQAQSZTYMH-RBJSKKJNSA-N 0 1 643.741 4.697 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CC(C)C)C(=O)Nc3ccc4nc(CO)[nH]c4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413951 1066208593 /nfs/dbraw/zinc/20/85/93/1066208593.db2.gz HDMRMQAQSZTYMH-UFHPHHKVSA-N 0 1 643.741 4.697 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3ccc4nc(CO)[nH]c4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413954 1066208707 /nfs/dbraw/zinc/20/87/07/1066208707.db2.gz HDMRMQAQSZTYMH-YWEHKCAJSA-N 0 1 643.741 4.697 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3nc(CCc4ccccc4)n[nH]3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413992 1066208780 /nfs/dbraw/zinc/20/87/80/1066208780.db2.gz YFOODXPNHMNCNE-AREMUKBSSA-N 0 1 640.741 4.597 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3nnc(CCc4ccccc4)[nH]3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413992 1066208771 /nfs/dbraw/zinc/20/87/71/1066208771.db2.gz YFOODXPNHMNCNE-AREMUKBSSA-N 0 1 640.741 4.597 50 0 KJAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(CO)[nH]c2c1 ZINC000409414849 1066208688 /nfs/dbraw/zinc/20/86/88/1066208688.db2.gz PSJUQPKUZULEHL-IARHMKAOSA-N 0 1 643.741 4.697 50 0 KJAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(CO)[nH]c2c1 ZINC000409414850 1066370659 /nfs/dbraw/zinc/37/06/59/1066370659.db2.gz PSJUQPKUZULEHL-IWCDYYAOSA-N 0 1 643.741 4.697 50 0 KJAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(CO)[nH]c2c1 ZINC000409414851 1066208543 /nfs/dbraw/zinc/20/85/43/1066208543.db2.gz PSJUQPKUZULEHL-OYRREBHHSA-N 0 1 643.741 4.697 50 0 KJAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(CO)[nH]c2c1 ZINC000409414852 1066208671 /nfs/dbraw/zinc/20/86/71/1066208671.db2.gz PSJUQPKUZULEHL-VLRHJXICSA-N 0 1 643.741 4.697 50 0 KJAAMN COC(=O)COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)cc1OC ZINC000409415524 1066209436 /nfs/dbraw/zinc/20/94/36/1066209436.db2.gz NQHULRXYOCHEQR-KRWDZBQOSA-N 0 1 536.920 4.820 50 0 KJAAMN COC(=O)COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)cc1OC ZINC000409415525 1066209607 /nfs/dbraw/zinc/20/96/07/1066209607.db2.gz NQHULRXYOCHEQR-QGZVFWFLSA-N 0 1 536.920 4.820 50 0 KJAAMN COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CC3)c1c(O)ccc(C(=O)c2ccc(Cl)cc2)c1O ZINC000409415640 1066209309 /nfs/dbraw/zinc/20/93/09/1066209309.db2.gz VDXFFLRIVBIYSX-FQEVSTJZSA-N 0 1 503.938 4.548 50 0 KJAAMN COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CC3)c1c(O)ccc(C(=O)c2ccc(Cl)cc2)c1O ZINC000409415641 1066209514 /nfs/dbraw/zinc/20/95/14/1066209514.db2.gz VDXFFLRIVBIYSX-HXUWFJFHSA-N 0 1 503.938 4.548 50 0 KJAAMN COC(=O)C[C@H](c1cccc(Br)c1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000409415672 1066370448 /nfs/dbraw/zinc/37/04/48/1066370448.db2.gz WPBOUSIQDTWLQQ-DWXRJYCRSA-N 0 1 542.382 4.787 50 0 KJAAMN COC(=O)C[C@@H](c1cccc(Br)c1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000409415673 1066209487 /nfs/dbraw/zinc/20/94/87/1066209487.db2.gz WPBOUSIQDTWLQQ-HFJWLAOPSA-N 0 1 542.382 4.787 50 0 KJAAMN COC(=O)C[C@@H](c1cccc(Br)c1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000409415674 1066370624 /nfs/dbraw/zinc/37/06/24/1066370624.db2.gz WPBOUSIQDTWLQQ-QYBDOPJKSA-N 0 1 542.382 4.787 50 0 KJAAMN COC(=O)C[C@H](c1cccc(Br)c1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000409415675 1066209237 /nfs/dbraw/zinc/20/92/37/1066209237.db2.gz WPBOUSIQDTWLQQ-WXTAPIANSA-N 0 1 542.382 4.787 50 0 KJAAMN COc1ccc([C@@H](CC(=O)Nc2ccc3[nH]c(C(C)C)nc3c2)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000524729213 1066212665 /nfs/dbraw/zinc/21/26/65/1066212665.db2.gz JYJSMLHJENINMW-GOSISDBHSA-N 0 1 521.570 4.840 50 0 KJAAMN COc1ccc([C@H](CC(=O)Nc2ccc3[nH]c(C(C)C)nc3c2)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000524729214 1066212741 /nfs/dbraw/zinc/21/27/41/1066212741.db2.gz JYJSMLHJENINMW-SFHVURJKSA-N 0 1 521.570 4.840 50 0 KJAAMN COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524729735 1066212472 /nfs/dbraw/zinc/21/24/72/1066212472.db2.gz HLJMUMPCBGWJML-KCWXNJEJSA-N 0 1 521.566 4.811 50 0 KJAAMN COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524729736 1066212530 /nfs/dbraw/zinc/21/25/30/1066212530.db2.gz HLJMUMPCBGWJML-LGGPFLRQSA-N 0 1 521.566 4.811 50 0 KJAAMN COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524729737 1066212694 /nfs/dbraw/zinc/21/26/94/1066212694.db2.gz HLJMUMPCBGWJML-ONOMSOESSA-N 0 1 521.566 4.811 50 0 KJAAMN COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524729738 1066212417 /nfs/dbraw/zinc/21/24/17/1066212417.db2.gz HLJMUMPCBGWJML-PBBNMVCDSA-N 0 1 521.566 4.811 50 0 KJAAMN COC(=O)C[C@@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c(O)ccc(C(=O)c2ccc(Cl)cc2)c1O ZINC000524729779 1066213233 /nfs/dbraw/zinc/21/32/33/1066213233.db2.gz 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/nfs/dbraw/zinc/21/31/27/1066213127.db2.gz LWMUEZKDNZCONT-SHACYNPGSA-N 0 1 548.411 4.848 50 0 KJAAMN COC(=O)C[C@H](c1ccnc2ccccc21)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730285 1066214814 /nfs/dbraw/zinc/21/48/14/1066214814.db2.gz DGAOYARMUULRJP-ACSYHNTCSA-N 0 1 514.534 4.572 50 0 KJAAMN COC(=O)C[C@@H](c1ccnc2ccccc21)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730286 1066214761 /nfs/dbraw/zinc/21/47/61/1066214761.db2.gz DGAOYARMUULRJP-AFJIDDCJSA-N 0 1 514.534 4.572 50 0 KJAAMN COC(=O)C[C@H](c1ccnc2ccccc21)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730287 1066215224 /nfs/dbraw/zinc/21/52/24/1066215224.db2.gz DGAOYARMUULRJP-OLILMLBXSA-N 0 1 514.534 4.572 50 0 KJAAMN COC(=O)C[C@@H](c1ccnc2ccccc21)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730288 1066215487 /nfs/dbraw/zinc/21/54/87/1066215487.db2.gz DGAOYARMUULRJP-WRONEBCDSA-N 0 1 514.534 4.572 50 0 KJAAMN COC(=O)C[C@H](c1ccc2ncccc2c1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730465 1066213845 /nfs/dbraw/zinc/21/38/45/1066213845.db2.gz KIUHUSHUQOCQDQ-ACSYHNTCSA-N 0 1 514.534 4.572 50 0 KJAAMN COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730466 1066213941 /nfs/dbraw/zinc/21/39/41/1066213941.db2.gz KIUHUSHUQOCQDQ-AFJIDDCJSA-N 0 1 514.534 4.572 50 0 KJAAMN COC(=O)C[C@H](c1ccc2ncccc2c1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730467 1066214116 /nfs/dbraw/zinc/21/41/16/1066214116.db2.gz KIUHUSHUQOCQDQ-OLILMLBXSA-N 0 1 514.534 4.572 50 0 KJAAMN COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730468 1066213918 /nfs/dbraw/zinc/21/39/18/1066213918.db2.gz KIUHUSHUQOCQDQ-WRONEBCDSA-N 0 1 514.534 4.572 50 0 KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(OCc3nccn3C)c(OC)c2)cc1OC ZINC000524730654 1066214531 /nfs/dbraw/zinc/21/45/31/1066214531.db2.gz RLICPEOQCJBSLS-IBGZPJMESA-N 0 1 584.581 4.945 50 0 KJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(OCc3nccn3C)c(OC)c2)cc1OC ZINC000524730655 1066214693 /nfs/dbraw/zinc/21/46/93/1066214693.db2.gz RLICPEOQCJBSLS-LJQANCHMSA-N 0 1 584.581 4.945 50 0 KJAAMN COC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730801 1066214668 /nfs/dbraw/zinc/21/46/68/1066214668.db2.gz XSWHFVJCMPNOSM-DWXRJYCRSA-N 0 1 547.482 4.923 50 0 KJAAMN COC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730802 1066214792 /nfs/dbraw/zinc/21/47/92/1066214792.db2.gz XSWHFVJCMPNOSM-HFJWLAOPSA-N 0 1 547.482 4.923 50 0 KJAAMN COC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730803 1066214652 /nfs/dbraw/zinc/21/46/52/1066214652.db2.gz XSWHFVJCMPNOSM-QYBDOPJKSA-N 0 1 547.482 4.923 50 0 KJAAMN COC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730804 1066214564 /nfs/dbraw/zinc/21/45/64/1066214564.db2.gz XSWHFVJCMPNOSM-WXTAPIANSA-N 0 1 547.482 4.923 50 0 KJAAMN COC(=O)C[C@@H](c1cccc(Oc2ncccn2)c1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524731249 1066215998 /nfs/dbraw/zinc/21/59/98/1066215998.db2.gz PYYJLNIJJNWOLD-KCWXNJEJSA-N 0 1 557.559 4.606 50 0 KJAAMN COC(=O)C[C@@H](c1cccc(Oc2ncccn2)c1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524731250 1066216028 /nfs/dbraw/zinc/21/60/28/1066216028.db2.gz PYYJLNIJJNWOLD-LGGPFLRQSA-N 0 1 557.559 4.606 50 0 KJAAMN COC(=O)C[C@H](c1cccc(Oc2ncccn2)c1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524731251 1066216163 /nfs/dbraw/zinc/21/61/63/1066216163.db2.gz PYYJLNIJJNWOLD-ONOMSOESSA-N 0 1 557.559 4.606 50 0 KJAAMN COC(=O)C[C@H](c1cccc(Oc2ncccn2)c1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524731252 1066216070 /nfs/dbraw/zinc/21/60/70/1066216070.db2.gz PYYJLNIJJNWOLD-PBBNMVCDSA-N 0 1 557.559 4.606 50 0 KJAAMN COC(=O)C[C@@H](c1ccc(F)cc1Cl)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524731306 1066215948 /nfs/dbraw/zinc/21/59/48/1066215948.db2.gz SBJDCNGNCZPSNJ-MRDQGFSESA-N 0 1 515.921 4.817 50 0 KJAAMN COC(=O)C[C@@H](c1ccc(F)cc1Cl)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524731307 1066216187 /nfs/dbraw/zinc/21/61/87/1066216187.db2.gz SBJDCNGNCZPSNJ-QLXKLKPCSA-N 0 1 515.921 4.817 50 0 KJAAMN COC(=O)C[C@H](c1ccc(F)cc1Cl)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524731308 1066215870 /nfs/dbraw/zinc/21/58/70/1066215870.db2.gz SBJDCNGNCZPSNJ-QUGAMOGWSA-N 0 1 515.921 4.817 50 0 KJAAMN COC(=O)C[C@H](c1ccc(F)cc1Cl)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524731309 1066216092 /nfs/dbraw/zinc/21/60/92/1066216092.db2.gz SBJDCNGNCZPSNJ-WGDIFIGCSA-N 0 1 515.921 4.817 50 0 KJAAMN COc1ccc([C@H](CC(=O)Nc2cccc3c(O)cccc23)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000524731477 1066215973 /nfs/dbraw/zinc/21/59/73/1066215973.db2.gz ZLZWZCOENKPKKS-IBGZPJMESA-N 0 1 505.523 4.699 50 0 KJAAMN COc1ccc([C@@H](CC(=O)Nc2cccc3c(O)cccc23)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000524731478 1066216109 /nfs/dbraw/zinc/21/61/09/1066216109.db2.gz ZLZWZCOENKPKKS-LJQANCHMSA-N 0 1 505.523 4.699 50 0 KJAAMN COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524731580 1066215921 /nfs/dbraw/zinc/21/59/21/1066215921.db2.gz CQHLQMHTJCWFOR-DWXRJYCRSA-N 0 1 529.492 4.625 50 0 KJAAMN COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524731581 1066216206 /nfs/dbraw/zinc/21/62/06/1066216206.db2.gz CQHLQMHTJCWFOR-HFJWLAOPSA-N 0 1 529.492 4.625 50 0 KJAAMN COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524731582 1066216140 /nfs/dbraw/zinc/21/61/40/1066216140.db2.gz CQHLQMHTJCWFOR-QYBDOPJKSA-N 0 1 529.492 4.625 50 0 KJAAMN COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524731583 1066215813 /nfs/dbraw/zinc/21/58/13/1066215813.db2.gz CQHLQMHTJCWFOR-WXTAPIANSA-N 0 1 529.492 4.625 50 0 KJAAMN Cc1c(Cc2ccccc2)c(=O)oc2c3c(cc(OCC(=O)NCCN4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)c12)OC(C)(C)CC3 ZINC000524731621 1066216652 /nfs/dbraw/zinc/21/66/52/1066216652.db2.gz FAVIJYQESRUIGX-FTJBHMTQSA-N 0 1 623.750 4.572 50 0 KJAAMN COC(=O)C[C@@H](c1ccc(OCc2ccccn2)cc1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524731819 1066216709 /nfs/dbraw/zinc/21/67/09/1066216709.db2.gz LTXCXLSTAPANOY-BNHRFMORSA-N 0 1 570.598 4.998 50 0 KJAAMN COC(=O)C[C@H](c1ccc(OCc2ccccn2)cc1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524731820 1066216595 /nfs/dbraw/zinc/21/65/95/1066216595.db2.gz LTXCXLSTAPANOY-GPNASLBKSA-N 0 1 570.598 4.998 50 0 KJAAMN COC(=O)C[C@@H](c1ccc(OCc2ccccn2)cc1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524731821 1066216748 /nfs/dbraw/zinc/21/67/48/1066216748.db2.gz LTXCXLSTAPANOY-NRUKRWIHSA-N 0 1 570.598 4.998 50 0 KJAAMN COC(=O)C[C@H](c1ccc(OCc2ccccn2)cc1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524731822 1066216824 /nfs/dbraw/zinc/21/68/24/1066216824.db2.gz LTXCXLSTAPANOY-QNLPTKCRSA-N 0 1 570.598 4.998 50 0 KJAAMN Cc1cccc2nc(-c3ccc(NC(=O)[C@@H]4CCN(c5cnn(Cc6ccccc6)c(=O)c5)C4)cc3)[nH]c21 ZINC000575314960 1066504663 /nfs/dbraw/zinc/50/46/63/1066504663.db2.gz YREYCQFURBSCCV-HSZRJFAPSA-N 0 1 504.594 4.608 50 0 KJAAMN Cc1cccc2nc(-c3ccc(NC(=O)[C@H]4CCN(c5cnn(Cc6ccccc6)c(=O)c5)C4)cc3)[nH]c21 ZINC000575314963 1066504752 /nfs/dbraw/zinc/50/47/52/1066504752.db2.gz YREYCQFURBSCCV-QHCPKHFHSA-N 0 1 504.594 4.608 50 0 KJAAMN CCCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@@H]3c3noc(COCc4ccc(F)cc4)n3)n[nH]2)c1C ZINC000575315561 1066504692 /nfs/dbraw/zinc/50/46/92/1066504692.db2.gz PNDPATBZEBQIQF-HSZRJFAPSA-N 0 1 521.597 4.906 50 0 KJAAMN CCCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@H]3c3noc(COCc4ccc(F)cc4)n3)n[nH]2)c1C ZINC000575315562 1066504782 /nfs/dbraw/zinc/50/47/82/1066504782.db2.gz PNDPATBZEBQIQF-QHCPKHFHSA-N 0 1 521.597 4.906 50 0 KJAAMN Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H](C(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)C1 ZINC000581778189 1066505270 /nfs/dbraw/zinc/50/52/70/1066505270.db2.gz CTNBDTDCSAJCKP-RUZDIDTESA-N 0 1 545.684 4.801 50 0 KJAAMN Cc1oc(-c2ccccc2)nc1CN1CCC[C@H](C(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)C1 ZINC000581778190 1066505309 /nfs/dbraw/zinc/50/53/09/1066505309.db2.gz CTNBDTDCSAJCKP-VWLOTQADSA-N 0 1 545.684 4.801 50 0 KJAAMN CCCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@@H]3c3noc(COc4ccc(C)cc4)n3)n[nH]2)c1C ZINC000581796024 1066505288 /nfs/dbraw/zinc/50/52/88/1066505288.db2.gz MADCBDDJSRCPNJ-HSZRJFAPSA-N 0 1 503.607 4.938 50 0 KJAAMN CCCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@H]3c3noc(COc4ccc(C)cc4)n3)n[nH]2)c1C ZINC000581796028 1066505580 /nfs/dbraw/zinc/50/55/80/1066505580.db2.gz MADCBDDJSRCPNJ-QHCPKHFHSA-N 0 1 503.607 4.938 50 0 KJAAMN CC1=CC(C)(C)N(C)c2cc3oc(=O)c(-c4cc(=O)[nH]c(N5CCN(Cc6ccccc6)CC5)n4)cc3cc21 ZINC000584906173 1066469239 /nfs/dbraw/zinc/46/92/39/1066469239.db2.gz DLURLCLWUCXKHY-UHFFFAOYSA-N 0 1 523.637 4.910 50 0 KJAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000604404031 1066498187 /nfs/dbraw/zinc/49/81/87/1066498187.db2.gz INHGQMPYIVYCOQ-IWWVAPJASA-N 0 1 630.702 4.706 50 0 KJAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2c(c1)nc(CN1CCN(C)CC1)n2C ZINC000604404511 1066498859 /nfs/dbraw/zinc/49/88/59/1066498859.db2.gz IBNHXRKBRQRAPN-BUQILHSASA-N 0 1 739.918 4.962 50 0 KJAAMN COCc1n[nH]c(-c2ccc(NC(=O)[C@H](CCSC)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)cc2)n1 ZINC000604404684 1066499483 /nfs/dbraw/zinc/49/94/83/1066499483.db2.gz QOWSBVSYMZGHQG-XCZPVHLTSA-N 0 1 702.834 4.967 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3nc(-c4c[nH]c5ccccc54)n[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000604404692 1066499522 /nfs/dbraw/zinc/49/95/22/1066499522.db2.gz QTGMVOMVUHPMDM-SANMLTNESA-N 0 1 651.724 4.960 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3nc(-c4ccccc4)n[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000604404752 1066499458 /nfs/dbraw/zinc/49/94/58/1066499458.db2.gz RMAIJCMFSZWQHR-AHWVRZQESA-N 0 1 658.781 4.820 50 0 KJAAMN COc1ccc(-c2n[nH]c(NC(=O)[C@H](CCSC)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)n2)cc1 ZINC000604405154 1066500025 /nfs/dbraw/zinc/50/00/25/1066500025.db2.gz XLYKEXMJOGDHRK-BDYUSTAISA-N 0 1 688.807 4.829 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3nc(CCc4c[nH]c5ccccc45)n[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000604405394 1066500661 /nfs/dbraw/zinc/50/06/61/1066500661.db2.gz ZYJDQOGTHOTMML-PPHZAIPVSA-N 0 1 665.751 4.687 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3n[nH]c(CCc4c[nH]c5ccccc45)n3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000604405394 1066500649 /nfs/dbraw/zinc/50/06/49/1066500649.db2.gz ZYJDQOGTHOTMML-PPHZAIPVSA-N 0 1 665.751 4.687 50 0 KJAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000604405836 1066500781 /nfs/dbraw/zinc/50/07/81/1066500781.db2.gz WHZHWJXELWSJIY-JBKUBBTJSA-N 0 1 618.735 4.714 50 0 KJAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000604405836 1066500770 /nfs/dbraw/zinc/50/07/70/1066500770.db2.gz WHZHWJXELWSJIY-JBKUBBTJSA-N 0 1 618.735 4.714 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccc4nc(C)[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000604405884 1066500829 /nfs/dbraw/zinc/50/08/29/1066500829.db2.gz SRTBIUDMLJHVNE-DEOSSOPVSA-N 0 1 599.688 4.879 50 0 KJAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CC(C)C)n[nH]1 ZINC000604405968 1066500505 /nfs/dbraw/zinc/50/05/05/1066500505.db2.gz VCRBQHVRKAKVTK-XGGVPNMNSA-N 0 1 620.751 4.645 50 0 KJAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CC(C)C)n1 ZINC000604405968 1066500496 /nfs/dbraw/zinc/50/04/96/1066500496.db2.gz VCRBQHVRKAKVTK-XGGVPNMNSA-N 0 1 620.751 4.645 50 0 KJAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC000604405973 1066500741 /nfs/dbraw/zinc/50/07/41/1066500741.db2.gz VIJSGYLZHXBSLZ-DCMIEBIUSA-N 0 1 606.724 4.570 50 0 KJAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(C(C)C)n[nH]1 ZINC000604405973 1066500730 /nfs/dbraw/zinc/50/07/30/1066500730.db2.gz VIJSGYLZHXBSLZ-DCMIEBIUSA-N 0 1 606.724 4.570 50 0 KJAAMN COc1ccc(CCc2n[nH]c(NC(=O)[C@H](CCSC)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)n2)cc1OC ZINC000604406348 1066501193 /nfs/dbraw/zinc/50/11/93/1066501193.db2.gz NGOFDYKRKVTNMQ-XCZPVHLTSA-N 0 1 746.887 4.956 50 0 KJAAMN COc1ccc(CCc2nc(NC(=O)[C@H](CCSC)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)n[nH]2)cc1OC ZINC000604406348 1066501180 /nfs/dbraw/zinc/50/11/80/1066501180.db2.gz NGOFDYKRKVTNMQ-XCZPVHLTSA-N 0 1 746.887 4.956 50 0 KJAAMN COC(=O)C[C@@H](c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O ZINC000604419206 1066480845 /nfs/dbraw/zinc/48/08/45/1066480845.db2.gz LSJSWWYZLRHSQE-IBGZPJMESA-N 0 1 515.488 4.802 50 0 KJAAMN COC(=O)C[C@H](c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O ZINC000604419207 1066480731 /nfs/dbraw/zinc/48/07/31/1066480731.db2.gz LSJSWWYZLRHSQE-LJQANCHMSA-N 0 1 515.488 4.802 50 0 KJAAMN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(N2CCC(Oc3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000618256357 1066501621 /nfs/dbraw/zinc/50/16/21/1066501621.db2.gz IAFSDFSVRKFCMM-UHFFFAOYSA-N 0 1 564.074 4.845 50 0 KJAAMN Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000618256647 1066501865 /nfs/dbraw/zinc/50/18/65/1066501865.db2.gz KWGMVYYGTMHCBR-UHFFFAOYSA-N 0 1 561.674 4.542 50 0 KJAAMN O=S(=O)(c1cccc2cccnc21)N1CCC(N2CCC(Oc3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000618257044 1066501816 /nfs/dbraw/zinc/50/18/16/1066501816.db2.gz PXDZFGKTXZTLGQ-UHFFFAOYSA-N 0 1 555.022 4.999 50 0 KJAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3sc4nccc(C)c4c3N)cc2)cc1C ZINC000675029139 1066375664 /nfs/dbraw/zinc/37/56/64/1066375664.db2.gz GCBPBZLMISZVHA-UHFFFAOYSA-N 0 1 512.613 4.566 50 0 KJAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc(-c3ccc(S(=O)(=O)C(F)F)cc3)o2)cc1 ZINC000825181623 1066504322 /nfs/dbraw/zinc/50/43/22/1066504322.db2.gz PMIMFTWELBCNSI-UHFFFAOYSA-N 0 1 505.524 4.509 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3nc(-c4ccccc4)n[nH]3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888088795 1066396455 /nfs/dbraw/zinc/39/64/55/1066396455.db2.gz RMAIJCMFSZWQHR-AOYPEHQESA-N 0 1 658.781 4.820 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3nc(-c4ccccc4)n[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888088796 1066396508 /nfs/dbraw/zinc/39/65/08/1066396508.db2.gz RMAIJCMFSZWQHR-AZGAKELHSA-N 0 1 658.781 4.820 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3nc(-c4ccccc4)n[nH]3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888088797 1066396358 /nfs/dbraw/zinc/39/63/58/1066396358.db2.gz RMAIJCMFSZWQHR-RSXGOPAZSA-N 0 1 658.781 4.820 50 0 KJAAMN COc1ccc(CN2CCC(NC(=O)CCCNc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)CC2)cc1OC ZINC000888088838 1066396557 /nfs/dbraw/zinc/39/65/57/1066396557.db2.gz UBPURTCNQVSIRN-PMERELPUSA-N 0 1 702.849 4.853 50 0 KJAAMN COc1ccc(CCc2n[nH]c(NC(=O)[C@H](CCSC)Nc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)n2)cc1OC ZINC000888089178 1066397070 /nfs/dbraw/zinc/39/70/70/1066397070.db2.gz NGOFDYKRKVTNMQ-IAPPQJPRSA-N 0 1 746.887 4.956 50 0 KJAAMN COc1ccc(CCc2nc(NC(=O)[C@H](CCSC)Nc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)n[nH]2)cc1OC ZINC000888089178 1066397062 /nfs/dbraw/zinc/39/70/62/1066397062.db2.gz NGOFDYKRKVTNMQ-IAPPQJPRSA-N 0 1 746.887 4.956 50 0 KJAAMN COc1ccc(CCc2n[nH]c(NC(=O)[C@@H](CCSC)Nc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)n2)cc1OC ZINC000888089179 1066396887 /nfs/dbraw/zinc/39/68/87/1066396887.db2.gz NGOFDYKRKVTNMQ-IXCJQBJRSA-N 0 1 746.887 4.956 50 0 KJAAMN COc1ccc(CCc2nc(NC(=O)[C@@H](CCSC)Nc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)n[nH]2)cc1OC ZINC000888089179 1066396875 /nfs/dbraw/zinc/39/68/75/1066396875.db2.gz NGOFDYKRKVTNMQ-IXCJQBJRSA-N 0 1 746.887 4.956 50 0 KJAAMN COc1ccc(CCc2n[nH]c(NC(=O)[C@@H](CCSC)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)n2)cc1OC ZINC000888089180 1066397365 /nfs/dbraw/zinc/39/73/65/1066397365.db2.gz NGOFDYKRKVTNMQ-XTEPFMGCSA-N 0 1 746.887 4.956 50 0 KJAAMN COc1ccc(CCc2nc(NC(=O)[C@@H](CCSC)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)n[nH]2)cc1OC ZINC000888089180 1066397345 /nfs/dbraw/zinc/39/73/45/1066397345.db2.gz NGOFDYKRKVTNMQ-XTEPFMGCSA-N 0 1 746.887 4.956 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccc4nc(C)[nH]c4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888089289 1066397307 /nfs/dbraw/zinc/39/73/07/1066397307.db2.gz SRTBIUDMLJHVNE-XMMPIXPASA-N 0 1 599.688 4.879 50 0 KJAAMN COC(=O)C[C@@H](c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O ZINC000888089477 1066397753 /nfs/dbraw/zinc/39/77/53/1066397753.db2.gz GCOCUPCJLPCSGB-IBGZPJMESA-N 0 1 515.488 4.802 50 0 KJAAMN COC(=O)C[C@H](c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O ZINC000888089478 1066398047 /nfs/dbraw/zinc/39/80/47/1066398047.db2.gz GCOCUPCJLPCSGB-LJQANCHMSA-N 0 1 515.488 4.802 50 0 KJAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000888089677 1066398407 /nfs/dbraw/zinc/39/84/07/1066398407.db2.gz WHZHWJXELWSJIY-AXNJZRPJSA-N 0 1 618.735 4.714 50 0 KJAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000888089677 1066398394 /nfs/dbraw/zinc/39/83/94/1066398394.db2.gz WHZHWJXELWSJIY-AXNJZRPJSA-N 0 1 618.735 4.714 50 0 KJAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000888089678 1066398686 /nfs/dbraw/zinc/39/86/86/1066398686.db2.gz WHZHWJXELWSJIY-HFOMZHBHSA-N 0 1 618.735 4.714 50 0 KJAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000888089678 1066398672 /nfs/dbraw/zinc/39/86/72/1066398672.db2.gz WHZHWJXELWSJIY-HFOMZHBHSA-N 0 1 618.735 4.714 50 0 KJAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000888089679 1066398518 /nfs/dbraw/zinc/39/85/18/1066398518.db2.gz WHZHWJXELWSJIY-IYRXFJASSA-N 0 1 618.735 4.714 50 0 KJAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000888089679 1066398505 /nfs/dbraw/zinc/39/85/05/1066398505.db2.gz WHZHWJXELWSJIY-IYRXFJASSA-N 0 1 618.735 4.714 50 0 KJAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000888089680 1066398321 /nfs/dbraw/zinc/39/83/21/1066398321.db2.gz WHZHWJXELWSJIY-UJDKCDIISA-N 0 1 618.735 4.714 50 0 KJAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000888089680 1066398309 /nfs/dbraw/zinc/39/83/09/1066398309.db2.gz WHZHWJXELWSJIY-UJDKCDIISA-N 0 1 618.735 4.714 50 0 KJAAMN COc1ccc([C@H](CC(=O)Nc2cccc3c(O)cccc23)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000888089698 1066398614 /nfs/dbraw/zinc/39/86/14/1066398614.db2.gz ZKUOGJCQNPYZBP-IBGZPJMESA-N 0 1 505.523 4.699 50 0 KJAAMN COc1ccc([C@@H](CC(=O)Nc2cccc3c(O)cccc23)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000888089699 1066398365 /nfs/dbraw/zinc/39/83/65/1066398365.db2.gz ZKUOGJCQNPYZBP-LJQANCHMSA-N 0 1 505.523 4.699 50 0 KJAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000888089794 1066399259 /nfs/dbraw/zinc/39/92/59/1066399259.db2.gz INHGQMPYIVYCOQ-BZWCRFLISA-N 0 1 630.702 4.706 50 0 KJAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000888089795 1066398971 /nfs/dbraw/zinc/39/89/71/1066398971.db2.gz INHGQMPYIVYCOQ-JMWMNHOVSA-N 0 1 630.702 4.706 50 0 KJAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000888089796 1066399131 /nfs/dbraw/zinc/39/91/31/1066399131.db2.gz INHGQMPYIVYCOQ-OOFIYHFUSA-N 0 1 630.702 4.706 50 0 KJAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000888089797 1066399387 /nfs/dbraw/zinc/39/93/87/1066399387.db2.gz INHGQMPYIVYCOQ-SROSBETESA-N 0 1 630.702 4.706 50 0 KJAAMN COCc1n[nH]c(-c2ccc(NC(=O)[C@H](CCSC)Nc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)cc2)n1 ZINC000888089941 1066399020 /nfs/dbraw/zinc/39/90/20/1066399020.db2.gz QOWSBVSYMZGHQG-IAPPQJPRSA-N 0 1 702.834 4.967 50 0 KJAAMN COCc1n[nH]c(-c2ccc(NC(=O)[C@@H](CCSC)Nc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)cc2)n1 ZINC000888089942 1066399173 /nfs/dbraw/zinc/39/91/73/1066399173.db2.gz QOWSBVSYMZGHQG-IXCJQBJRSA-N 0 1 702.834 4.967 50 0 KJAAMN COCc1n[nH]c(-c2ccc(NC(=O)[C@@H](CCSC)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)cc2)n1 ZINC000888089943 1066399919 /nfs/dbraw/zinc/39/99/19/1066399919.db2.gz QOWSBVSYMZGHQG-XTEPFMGCSA-N 0 1 702.834 4.967 50 0 KJAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC000888089997 1066399850 /nfs/dbraw/zinc/39/98/50/1066399850.db2.gz VIJSGYLZHXBSLZ-KVFJWPORSA-N 0 1 606.724 4.570 50 0 KJAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(C(C)C)n[nH]1 ZINC000888089997 1066399842 /nfs/dbraw/zinc/39/98/42/1066399842.db2.gz VIJSGYLZHXBSLZ-KVFJWPORSA-N 0 1 606.724 4.570 50 0 KJAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC000888089998 1066399958 /nfs/dbraw/zinc/39/99/58/1066399958.db2.gz VIJSGYLZHXBSLZ-NIIFMQKASA-N 0 1 606.724 4.570 50 0 KJAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(C(C)C)n[nH]1 ZINC000888089998 1066399942 /nfs/dbraw/zinc/39/99/42/1066399942.db2.gz VIJSGYLZHXBSLZ-NIIFMQKASA-N 0 1 606.724 4.570 50 0 KJAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC000888089999 1066399750 /nfs/dbraw/zinc/39/97/50/1066399750.db2.gz VIJSGYLZHXBSLZ-UWMNEONRSA-N 0 1 606.724 4.570 50 0 KJAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(C(C)C)n[nH]1 ZINC000888089999 1066399741 /nfs/dbraw/zinc/39/97/41/1066399741.db2.gz VIJSGYLZHXBSLZ-UWMNEONRSA-N 0 1 606.724 4.570 50 0 KJAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC000888090000 1066400128 /nfs/dbraw/zinc/40/01/28/1066400128.db2.gz VIJSGYLZHXBSLZ-WFMHVWNISA-N 0 1 606.724 4.570 50 0 KJAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(C(C)C)n[nH]1 ZINC000888090000 1066400118 /nfs/dbraw/zinc/40/01/18/1066400118.db2.gz VIJSGYLZHXBSLZ-WFMHVWNISA-N 0 1 606.724 4.570 50 0 KJAAMN COc1ccc(-c2n[nH]c(NC(=O)[C@@H](CCSC)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)n2)cc1 ZINC000888090041 1066399329 /nfs/dbraw/zinc/39/93/29/1066399329.db2.gz XLYKEXMJOGDHRK-AHKZPQOWSA-N 0 1 688.807 4.829 50 0 KJAAMN COc1ccc(-c2n[nH]c(NC(=O)[C@H](CCSC)Nc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)n2)cc1 ZINC000888090042 1066399239 /nfs/dbraw/zinc/39/92/39/1066399239.db2.gz XLYKEXMJOGDHRK-VPUSJEBWSA-N 0 1 688.807 4.829 50 0 KJAAMN COc1ccc(-c2n[nH]c(NC(=O)[C@@H](CCSC)Nc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)n2)cc1 ZINC000888090043 1066399103 /nfs/dbraw/zinc/39/91/03/1066399103.db2.gz XLYKEXMJOGDHRK-XNMGPUDCSA-N 0 1 688.807 4.829 50 0 KJAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CC(C)C)n[nH]1 ZINC000888090362 1066401432 /nfs/dbraw/zinc/40/14/32/1066401432.db2.gz VCRBQHVRKAKVTK-AFPDSDBBSA-N 0 1 620.751 4.645 50 0 KJAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CC(C)C)n1 ZINC000888090362 1066401428 /nfs/dbraw/zinc/40/14/28/1066401428.db2.gz VCRBQHVRKAKVTK-AFPDSDBBSA-N 0 1 620.751 4.645 50 0 KJAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CC(C)C)n[nH]1 ZINC000888090363 1066402152 /nfs/dbraw/zinc/40/21/52/1066402152.db2.gz VCRBQHVRKAKVTK-CHNWYSDESA-N 0 1 620.751 4.645 50 0 KJAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CC(C)C)n1 ZINC000888090363 1066402145 /nfs/dbraw/zinc/40/21/45/1066402145.db2.gz VCRBQHVRKAKVTK-CHNWYSDESA-N 0 1 620.751 4.645 50 0 KJAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CC(C)C)n[nH]1 ZINC000888090364 1066402116 /nfs/dbraw/zinc/40/21/16/1066402116.db2.gz VCRBQHVRKAKVTK-GMXDNTTCSA-N 0 1 620.751 4.645 50 0 KJAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CC(C)C)n1 ZINC000888090364 1066402111 /nfs/dbraw/zinc/40/21/11/1066402111.db2.gz VCRBQHVRKAKVTK-GMXDNTTCSA-N 0 1 620.751 4.645 50 0 KJAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CC(C)C)n[nH]1 ZINC000888090365 1066402276 /nfs/dbraw/zinc/40/22/76/1066402276.db2.gz VCRBQHVRKAKVTK-YBXHTJDYSA-N 0 1 620.751 4.645 50 0 KJAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CC(C)C)n1 ZINC000888090365 1066402270 /nfs/dbraw/zinc/40/22/70/1066402270.db2.gz VCRBQHVRKAKVTK-YBXHTJDYSA-N 0 1 620.751 4.645 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3nc(-c4c[nH]c5ccccc54)n[nH]3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888090746 1066402217 /nfs/dbraw/zinc/40/22/17/1066402217.db2.gz QTGMVOMVUHPMDM-AREMUKBSSA-N 0 1 651.724 4.960 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3nc(CCc4c[nH]c5ccccc45)n[nH]3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888090900 1066403151 /nfs/dbraw/zinc/40/31/51/1066403151.db2.gz ZYJDQOGTHOTMML-UZTOHYMASA-N 0 1 665.751 4.687 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3n[nH]c(CCc4c[nH]c5ccccc45)n3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888090900 1066403147 /nfs/dbraw/zinc/40/31/47/1066403147.db2.gz ZYJDQOGTHOTMML-UZTOHYMASA-N 0 1 665.751 4.687 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)Nc3nc(CCc4c[nH]c5ccccc45)n[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888090901 1066403350 /nfs/dbraw/zinc/40/33/50/1066403350.db2.gz ZYJDQOGTHOTMML-WINIVTDRSA-N 0 1 665.751 4.687 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)Nc3n[nH]c(CCc4c[nH]c5ccccc45)n3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888090901 1066403342 /nfs/dbraw/zinc/40/33/42/1066403342.db2.gz ZYJDQOGTHOTMML-WINIVTDRSA-N 0 1 665.751 4.687 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)Nc3nc(CCc4c[nH]c5ccccc45)n[nH]3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888090902 1066403931 /nfs/dbraw/zinc/40/39/31/1066403931.db2.gz ZYJDQOGTHOTMML-XHCCPWGMSA-N 0 1 665.751 4.687 50 0 KJAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)Nc3n[nH]c(CCc4c[nH]c5ccccc45)n3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888090902 1066403927 /nfs/dbraw/zinc/40/39/27/1066403927.db2.gz ZYJDQOGTHOTMML-XHCCPWGMSA-N 0 1 665.751 4.687 50 0 KJAAMN CCc1oc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)cc1CN1CCCC1 ZINC000952856989 1066508371 /nfs/dbraw/zinc/50/83/71/1066508371.db2.gz VAWQXNXICITYEG-MFMCTBQISA-N 0 1 614.743 4.540 50 0 KJAAMN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857008 1066508290 /nfs/dbraw/zinc/50/82/90/1066508290.db2.gz PZSUJXCZBDZUJH-KYJUHHDHSA-N 0 1 642.675 4.725 50 0 KJAAMN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccc(CN4CCCC4)o3)C[C@@H]1NC(=O)CC2 ZINC000952857777 1066508224 /nfs/dbraw/zinc/50/82/24/1066508224.db2.gz XQWBYRMYHMODGB-RRPNLBNLSA-N 0 1 559.663 4.539 50 0 KJAAMN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3ccc(C)c4ncccc34)C[C@@H]1OCc1cccc(c1)O2 ZINC000952861900 1066508776 /nfs/dbraw/zinc/50/87/76/1066508776.db2.gz DAJNTOIDUJLKTJ-LQJZCPKCSA-N 0 1 639.753 4.563 50 0 KJAAMN Cc1ncc(CN2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2O)O4)[nH]1 ZINC000952864824 1066510011 /nfs/dbraw/zinc/51/00/11/1066510011.db2.gz MEEAEZHLIBFAJN-GDLZYMKVSA-N 0 1 510.594 4.876 50 0 KJAAMN