smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCCN1CCN(Cn2nc(C)c(Br)c2C)C[C@@H]1CC ZINC000152620371 728762566 /nfs/dbraw/zinc/76/25/66/728762566.db2.gz KAVAMFPXTIJBSZ-HNNXBMFYSA-N 0 1 373.339 2.653 10 0 FFAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000155295733 728824878 /nfs/dbraw/zinc/82/48/78/728824878.db2.gz ARTCYDOCVWIVQH-ZWKOTPCHSA-N 0 1 364.848 2.802 10 0 FFAEMN COCC[N@@H+]1CCN(Cn2c(CCC3CCCC3)n[n-]c2=S)C[C@@H]1C ZINC000117323459 728577656 /nfs/dbraw/zinc/57/76/56/728577656.db2.gz WEFLGMAUTQHAEU-HNNXBMFYSA-N 0 1 367.563 2.673 10 0 FFAEMN COCC[N@H+]1CCN(Cn2c(CCC3CCCC3)n[n-]c2=S)C[C@@H]1C ZINC000117323459 728577659 /nfs/dbraw/zinc/57/76/59/728577659.db2.gz WEFLGMAUTQHAEU-HNNXBMFYSA-N 0 1 367.563 2.673 10 0 FFAEMN CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000170873434 728990658 /nfs/dbraw/zinc/99/06/58/728990658.db2.gz ZDGMSFSUZMQRPP-SNVBAGLBSA-N 0 1 354.419 2.623 10 0 FFAEMN FC(F)Sc1nc2ccccc2n1CN1CC[C@@H](N2CCOCC2)C1 ZINC000172960662 729037369 /nfs/dbraw/zinc/03/73/69/729037369.db2.gz KEASFJJWPKAICH-CYBMUJFWSA-N 0 1 368.453 2.715 10 0 FFAEMN CCc1cc2oc(=O)cc(CN[C@@H](C(=O)NC)C(C)C)c2cc1Cl ZINC000183688565 729311315 /nfs/dbraw/zinc/31/13/15/729311315.db2.gz KXILACNCZPJYJU-QGZVFWFLSA-N 0 1 350.846 2.869 10 0 FFAEMN Cn1nccc1CCN[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186410847 729364581 /nfs/dbraw/zinc/36/45/81/729364581.db2.gz GVBJMDZYRFFPTC-QGZVFWFLSA-N 0 1 372.270 2.894 10 0 FFAEMN CCCN1CCN(c2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2Cl)CC1 ZINC000188797664 729391662 /nfs/dbraw/zinc/39/16/62/729391662.db2.gz ABTKLUGIXGIZIW-XJKSGUPXSA-N 0 1 368.884 2.511 10 0 FFAEMN CO[C@H](C)c1noc(CN[C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC000191912879 729420398 /nfs/dbraw/zinc/42/03/98/729420398.db2.gz PGCSYSRZKJJXKW-UPJWGTAASA-N 0 1 354.451 2.560 10 0 FFAEMN CCOCCN1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C[C@H]1C ZINC000245573875 729572299 /nfs/dbraw/zinc/57/22/99/729572299.db2.gz AIOLSQSUORRSMV-CRAIPNDOSA-N 0 1 365.905 2.876 10 0 FFAEMN CCN1CCC[C@@H](NS(=O)(=O)/C=C\c2ccc(Br)cc2)C1 ZINC000255008791 729629316 /nfs/dbraw/zinc/62/93/16/729629316.db2.gz SGTLUNFSADRCQP-ZHUYAKLQSA-N 0 1 373.316 2.824 10 0 FFAEMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)NCC2CCCCCCC2)CC1 ZINC000262879198 729673013 /nfs/dbraw/zinc/67/30/13/729673013.db2.gz ATZSDCFRDHLCGE-QGZVFWFLSA-N 0 1 353.507 2.927 10 0 FFAEMN O[C@@H]1CCC[C@H](NCc2c(Br)cncc2Br)C1 ZINC000394567297 729839739 /nfs/dbraw/zinc/83/97/39/729839739.db2.gz LXGWABGPPPXAHB-DTWKUNHWSA-N 0 1 364.081 3.000 10 0 FFAEMN CC(=O)N1C[C@@H](NCc2nc3ccccc3n2C)CC[C@H]1C(F)(F)F ZINC000886036587 733742373 /nfs/dbraw/zinc/74/23/73/733742373.db2.gz YSBWVGWPXCRCGN-WFASDCNBSA-N 0 1 354.376 2.605 10 0 FFAEMN Cc1noc(C[C@]2(O)CCCN(Cc3ccccc3C(F)(F)F)C2)n1 ZINC000888078928 734011132 /nfs/dbraw/zinc/01/11/32/734011132.db2.gz JRZZHHQKPORAND-MRXNPFEDSA-N 0 1 355.360 2.966 10 0 FFAEMN Cn1cc(CNCC2CC(NC(=O)OC(C)(C)C)C2)c(Br)n1 ZINC000715085347 734370767 /nfs/dbraw/zinc/37/07/67/734370767.db2.gz IWPLBOPWIGYXAK-UHFFFAOYSA-N 0 1 373.295 2.576 10 0 FFAEMN CC(C)C[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)CC(=O)[O-] ZINC000716298784 955129641 /nfs/dbraw/zinc/12/96/41/955129641.db2.gz HYCSNNLNBJGTOZ-ROUUACIJSA-N 0 1 361.486 2.697 10 0 FFAEMN O=C([O-])CC[C@@H]1CCCCN1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000716303728 969088672 /nfs/dbraw/zinc/08/86/72/969088672.db2.gz YETWLIWGNYVRPK-ZWKOTPCHSA-N 0 1 359.470 2.690 10 0 FFAEMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000708525406 977433084 /nfs/dbraw/zinc/43/30/84/977433084.db2.gz YVCPTOVEZDJECL-GDBMZVCRSA-N 0 1 371.437 2.545 10 0 FFAEMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc(C(=O)[O-])s1 ZINC000708552419 977435461 /nfs/dbraw/zinc/43/54/61/977435461.db2.gz OUMCLUYOBKEGIP-HIFRSBDPSA-N 0 1 358.463 2.944 10 0 FFAEMN O=C([O-])c1ccnc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000715035774 977689603 /nfs/dbraw/zinc/68/96/03/977689603.db2.gz AKLIICFILCVPSG-AEFFLSMTSA-N 0 1 352.438 2.666 10 0 FFAEMN C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000716174592 977810568 /nfs/dbraw/zinc/81/05/68/977810568.db2.gz KBJYNNWEJIXFTO-JXFKEZNVSA-N 0 1 366.461 2.954 10 0 FFAEMN Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)oc1C(=O)[O-] ZINC000716200302 977816268 /nfs/dbraw/zinc/81/62/68/977816268.db2.gz JXYPGIIGYYIBPE-BBRMVZONSA-N 0 1 356.422 2.927 10 0 FFAEMN O=C([O-])c1ccc(F)c(NC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000716288649 977827450 /nfs/dbraw/zinc/82/74/50/977827450.db2.gz ICBNTJVGDLWPEN-HNNXBMFYSA-N 0 1 357.385 2.920 10 0 FFAEMN CO[C@@H]1CC[C@H]2OCCN(C(=O)CCc3nc4cccc(C)c4[nH]3)[C@H]2C1 ZINC000126205199 981186628 /nfs/dbraw/zinc/18/66/28/981186628.db2.gz XIQPXMFVZAOKHQ-HYVNUMGLSA-N 0 1 357.454 2.599 10 0 FFAEMN COc1ccc(C(=O)[N-]C(=O)C[N@@H+](C)Cc2cc(C)c(OC)c(C)c2)cc1 ZINC000101566380 1004871708 /nfs/dbraw/zinc/87/17/08/1004871708.db2.gz TXRJZUGCVHLSCK-UHFFFAOYSA-N 0 1 370.449 2.709 10 0 FFAEMN Cc1ccc2[nH]c(=O)c(CCC(=O)N3CCN(CC(C)C)CC3)cc2c1 ZINC000065245469 205328351 /nfs/dbraw/zinc/32/83/51/205328351.db2.gz QLAPWLTYUVHJET-UHFFFAOYSA-N 0 1 355.482 2.982 10 0 FFAEMN CN[C@H](c1cc(Cl)cc(Br)c1OC)[C@H]1COCCO1 ZINC000055299227 206368328 /nfs/dbraw/zinc/36/83/28/206368328.db2.gz VSBCCCJYLFFISD-VXGBXAGGSA-N 0 1 350.640 2.787 10 0 FFAEMN CCc1cc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000093243519 250026012 /nfs/dbraw/zinc/02/60/12/250026012.db2.gz GRNGJQQALMVVKB-HIFRSBDPSA-N 0 1 353.344 2.939 10 0 FFAEMN Cc1nc([C@H](NC(=O)c2cn(-c3cccc(C)c3)nn2)c2ccccc2)n[nH]1 ZINC000103280456 250143169 /nfs/dbraw/zinc/14/31/69/250143169.db2.gz SDNKESDFCZFSQS-GOSISDBHSA-N 0 1 373.420 2.522 10 0 FFAEMN COc1ccc(NC(=O)N2CCN3CCCC[C@H]3C2)cc1N1CCCC1=O ZINC000104996376 250193616 /nfs/dbraw/zinc/19/36/16/250193616.db2.gz LWBOIILKHYZKMS-INIZCTEOSA-N 0 1 372.469 2.524 10 0 FFAEMN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N1CCN2CCCC[C@H]2C1 ZINC000104993135 250194093 /nfs/dbraw/zinc/19/40/93/250194093.db2.gz XTJIJTASLRQUHK-KRWDZBQOSA-N 0 1 370.497 2.933 10 0 FFAEMN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000106085248 250232629 /nfs/dbraw/zinc/23/26/29/250232629.db2.gz KZUXIDUSMVALGP-DLBZAZTESA-N 0 1 359.518 2.557 10 0 FFAEMN CC[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2Cl)CCN1C[C@@H](C)O ZINC000106104061 250238557 /nfs/dbraw/zinc/23/85/57/250238557.db2.gz RMAZNQLQBOJEBH-OCCSQVGLSA-N 0 1 374.312 2.709 10 0 FFAEMN Cc1nc(C)n(C[C@H]2CCCN(C[C@H](O)c3c(F)cccc3F)C2)n1 ZINC000106178076 250248517 /nfs/dbraw/zinc/24/85/17/250248517.db2.gz FLKLOJWNHUPAAO-YOEHRIQHSA-N 0 1 350.413 2.619 10 0 FFAEMN CCc1cccc(C)c1NC(=O)CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000106077233 250230713 /nfs/dbraw/zinc/23/07/13/250230713.db2.gz PYLSOBQQVLMDBG-SFHVURJKSA-N 0 1 367.497 2.887 10 0 FFAEMN C[C@@H](CN1CCN(C)CC1)NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000106582143 250280997 /nfs/dbraw/zinc/28/09/97/250280997.db2.gz YEBAMPPVQBUACL-GJZGRUSLSA-N 0 1 352.910 2.678 10 0 FFAEMN O=C(CN1CCC(Cn2cccn2)CC1)N[C@@H](c1ccccc1)C1CC1 ZINC000106183744 250252199 /nfs/dbraw/zinc/25/21/99/250252199.db2.gz RMSPDMZIMIXPOV-NRFANRHFSA-N 0 1 352.482 2.863 10 0 FFAEMN O[C@H](COc1ccc(Cl)cc1Cl)CN1CCC[C@H](n2cncn2)C1 ZINC000106217907 250258775 /nfs/dbraw/zinc/25/87/75/250258775.db2.gz DQONZAUXJZUXOS-KBPBESRZSA-N 0 1 371.268 2.662 10 0 FFAEMN COc1cccc([C@H]2C[C@@H]2C(=O)NC2CCN(Cc3ccccn3)CC2)c1 ZINC000106745570 250288558 /nfs/dbraw/zinc/28/85/58/250288558.db2.gz XWXZSEGKUFAQBJ-RTWAWAEBSA-N 0 1 365.477 2.975 10 0 FFAEMN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3c(O)cccc3F)C[C@H]12 ZINC000131904962 251027719 /nfs/dbraw/zinc/02/77/19/251027719.db2.gz WKMCLQVKFOJFPH-MBNYWOFBSA-N 0 1 364.417 2.907 10 0 FFAEMN C[C@@H]1CN(C2CCN(C(=O)CCc3cn(C)c4ccccc34)CC2)CCO1 ZINC000153330133 251125553 /nfs/dbraw/zinc/12/55/53/251125553.db2.gz JIPGEXQSHGKMJL-QGZVFWFLSA-N 0 1 369.509 2.823 10 0 FFAEMN Cc1nc([C@H]2CN(C(=O)Cc3ccc(Cl)c(Cl)c3)CCO2)n[nH]1 ZINC000173517245 251198812 /nfs/dbraw/zinc/19/88/12/251198812.db2.gz LQUBKVVAKSFECA-CYBMUJFWSA-N 0 1 355.225 2.563 10 0 FFAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc(-c4ccccc4)nc3C)CCO2)n[nH]1 ZINC000173530569 251200377 /nfs/dbraw/zinc/20/03/77/251200377.db2.gz LVMKBVDHDRMYRO-SFHVURJKSA-N 0 1 363.421 2.697 10 0 FFAEMN Cc1nc([C@H]2CN(C(=O)Cc3cc(Cl)ccc3Cl)CCO2)n[nH]1 ZINC000173539265 251201853 /nfs/dbraw/zinc/20/18/53/251201853.db2.gz INSFITCHKOZJIL-CYBMUJFWSA-N 0 1 355.225 2.563 10 0 FFAEMN CCOc1ccccc1[C@@H](CC)NC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000175481968 251215142 /nfs/dbraw/zinc/21/51/42/251215142.db2.gz MTGKCIHIMCZADQ-NVXWUHKLSA-N 0 1 373.457 2.746 10 0 FFAEMN CCC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000175497435 251218199 /nfs/dbraw/zinc/21/81/99/251218199.db2.gz QZJHDQFAGLPJOH-DLBZAZTESA-N 0 1 357.458 2.607 10 0 FFAEMN CCc1nc([C@H]2CN(C(=O)[C@@H](Cc3ccccc3)C(C)C)CCO2)n[nH]1 ZINC000173555942 251206162 /nfs/dbraw/zinc/20/61/62/251206162.db2.gz XMTGYULJYJXLCR-DLBZAZTESA-N 0 1 356.470 2.782 10 0 FFAEMN CCc1nc([C@H]2CN(C(=O)c3cc4c(cc(C)cc4C)[nH]3)CCO2)n[nH]1 ZINC000173565195 251207798 /nfs/dbraw/zinc/20/77/98/251207798.db2.gz VRNSSUXJZFGIKH-MRXNPFEDSA-N 0 1 353.426 2.679 10 0 FFAEMN COc1cc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)ccc1OC(F)F ZINC000181191251 251255722 /nfs/dbraw/zinc/25/57/22/251255722.db2.gz RTFKZBCURLFCIM-LLVKDONJSA-N 0 1 352.341 2.782 10 0 FFAEMN C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)ccc3[O-])CC[C@H]21 ZINC000252657378 251311994 /nfs/dbraw/zinc/31/19/94/251311994.db2.gz KDYGLSQFGKWZKM-SMDDNHRTSA-N 0 1 353.260 2.711 10 0 FFAEMN C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)ccc3[O-])CC[C@H]21 ZINC000252657378 251311998 /nfs/dbraw/zinc/31/19/98/251311998.db2.gz KDYGLSQFGKWZKM-SMDDNHRTSA-N 0 1 353.260 2.711 10 0 FFAEMN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1cc(F)cc3nn[nH]c31)CCCC2 ZINC000286281139 257029187 /nfs/dbraw/zinc/02/91/87/257029187.db2.gz UOTYJBOUMKWTAF-INIZCTEOSA-N 0 1 368.416 2.687 10 0 FFAEMN Cc1nc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)n[nH]1 ZINC000328727100 258119169 /nfs/dbraw/zinc/11/91/69/258119169.db2.gz GEVSSQZPKGACEE-PMPSAXMXSA-N 0 1 368.437 2.742 10 0 FFAEMN C[C@@H]1CCc2nc(NS(=O)(=O)c3ccc4c(c3)OCO4)sc2C1 ZINC000329231138 258133340 /nfs/dbraw/zinc/13/33/40/258133340.db2.gz DZGLJZKGSGJSEN-SECBINFHSA-N 0 1 352.437 2.797 10 0 FFAEMN COCc1nc(C)c(-c2nc([C@@H]3CN4CCC[C@@]4(C)CO3)no2)s1 ZINC000329585728 258142448 /nfs/dbraw/zinc/14/24/48/258142448.db2.gz MGVCGZFMFSDHRA-ZBEGNZNMSA-N 0 1 350.444 2.574 10 0 FFAEMN CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)NC1CCCC1 ZINC000329816569 258147981 /nfs/dbraw/zinc/14/79/81/258147981.db2.gz FMVAEFLRMDTMPF-QFBILLFUSA-N 0 1 365.543 2.921 10 0 FFAEMN Cc1cccc(CN[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)n1 ZINC000039550711 136119106 /nfs/dbraw/zinc/11/91/06/136119106.db2.gz NYWSUDOWIWTGCK-SFHVURJKSA-N 0 1 367.497 2.820 10 0 FFAEMN COC(=O)[C@@H]1CCCN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000066832738 506657819 /nfs/dbraw/zinc/65/78/19/506657819.db2.gz JASIUNCJBNRPQE-MRXNPFEDSA-N 0 1 364.461 2.838 10 0 FFAEMN 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CC(C)CN1CCN(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000080551193 508083699 /nfs/dbraw/zinc/08/36/99/508083699.db2.gz LNINDULUCNJPHE-QGZVFWFLSA-N 0 1 355.486 2.917 10 0 FFAEMN CCO[C@@H](CCNC(=O)N[C@H](c1n[nH]c(C)n1)c1ccccc1)C(C)C ZINC000080715529 508097165 /nfs/dbraw/zinc/09/71/65/508097165.db2.gz ZEVSKZHGABGVPY-IRXDYDNUSA-N 0 1 359.474 2.953 10 0 FFAEMN CCOc1cc(CN2CCCN(c3ccc(C)nn3)CC2)ccc1OC ZINC000093271799 508132054 /nfs/dbraw/zinc/13/20/54/508132054.db2.gz NROCSEGSSWRZSU-UHFFFAOYSA-N 0 1 356.470 2.905 10 0 FFAEMN CCC[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1)N(C)C ZINC000094169007 508171531 /nfs/dbraw/zinc/17/15/31/508171531.db2.gz GIXDBPABLBWFGQ-HNNXBMFYSA-N 0 1 369.531 2.741 10 0 FFAEMN CC(C)[C@H](C)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000101770031 508256569 /nfs/dbraw/zinc/25/65/69/508256569.db2.gz GVXGIPRXHCGVCP-GJZGRUSLSA-N 0 1 350.482 2.982 10 0 FFAEMN Cn1c(=O)oc2ccc(NC(=O)c3cn[nH]c3-c3ccc(F)cc3)cc21 ZINC000102481761 508276619 /nfs/dbraw/zinc/27/66/19/508276619.db2.gz MRJJTFGQINLVTR-UHFFFAOYSA-N 0 1 352.325 2.913 10 0 FFAEMN CCN(Cc1ccccn1)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000084440391 508279795 /nfs/dbraw/zinc/27/97/95/508279795.db2.gz YQCLNFOERBIPQH-PXNSSMCTSA-N 0 1 367.497 2.919 10 0 FFAEMN Cc1nc([C@@H](NC(=O)NC[C@@H](C)Oc2ccccc2)c2ccccc2)n[nH]1 ZINC000114031920 508291114 /nfs/dbraw/zinc/29/11/14/508291114.db2.gz GEWXPWICEMLDSZ-KDOFPFPSSA-N 0 1 365.437 2.969 10 0 FFAEMN CCN(C(=O)CN1C[C@H](C(N)=O)CC[C@@H]1C)c1cccc2ccccc21 ZINC000103285652 508304617 /nfs/dbraw/zinc/30/46/17/508304617.db2.gz RAXYSAZDHDZRIE-DOTOQJQBSA-N 0 1 353.466 2.779 10 0 FFAEMN CC(C)(CNC(=O)NCCCCN1CCOCC1)c1ccc(F)cc1 ZINC000103305895 508306242 /nfs/dbraw/zinc/30/62/42/508306242.db2.gz QYXJSNVOFKSBHK-UHFFFAOYSA-N 0 1 351.466 2.515 10 0 FFAEMN CC(C)[N@H+]1CCC[C@H](CNC(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000104149649 508329539 /nfs/dbraw/zinc/32/95/39/508329539.db2.gz VEGNCCIMSYOBCZ-CQSZACIVSA-N 0 1 360.433 2.567 10 0 FFAEMN CC(C)CNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000105570064 508375962 /nfs/dbraw/zinc/37/59/62/508375962.db2.gz OMNVRYGQKQZQMN-UHFFFAOYSA-N 0 1 352.236 2.689 10 0 FFAEMN CC(C)CNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000105570064 508375965 /nfs/dbraw/zinc/37/59/65/508375965.db2.gz OMNVRYGQKQZQMN-UHFFFAOYSA-N 0 1 352.236 2.689 10 0 FFAEMN CC[C@@H]1CN(Cc2coc(-c3ccc(OC)cc3)n2)CCN1CCOC ZINC000106114450 508394838 /nfs/dbraw/zinc/39/48/38/508394838.db2.gz PNJWTJVVZAPVRS-GOSISDBHSA-N 0 1 359.470 2.893 10 0 FFAEMN CC[C@H]1CN(CC(=O)N(C2CC2)C2CCC(C)CC2)CCN1CCOC ZINC000106113911 508394868 /nfs/dbraw/zinc/39/48/68/508394868.db2.gz NTLSZXBFVAXAMU-XBMUEBEBSA-N 0 1 365.562 2.599 10 0 FFAEMN CC[C@H]1CN(C(=O)NCc2nc(C(C)C)cs2)CCN1CCOC ZINC000121751653 508410150 /nfs/dbraw/zinc/41/01/50/508410150.db2.gz RVZZJRWHVBHDAL-AWEZNQCLSA-N 0 1 354.520 2.519 10 0 FFAEMN COc1cc(Cl)c(C)cc1NC(=O)CN1CCCC[C@H]1c1nnc[nH]1 ZINC000121819726 508425205 /nfs/dbraw/zinc/42/52/05/508425205.db2.gz SLBRCYFULROMJC-AWEZNQCLSA-N 0 1 363.849 2.941 10 0 FFAEMN CCOCCN1CCN(C(=O)Nc2ccnn2[C@@H](C)C2CC2)C[C@@H]1CC ZINC000133674906 508433190 /nfs/dbraw/zinc/43/31/90/508433190.db2.gz LAEWWORNZCGRQK-RDJZCZTQSA-N 0 1 363.506 2.819 10 0 FFAEMN C[C@@H](O)CN1CCN(Cc2coc(-c3c(F)cccc3F)n2)C[C@@H]1C ZINC000152598086 508476200 /nfs/dbraw/zinc/47/62/00/508476200.db2.gz SXOCIKGBUITERX-QWHCGFSZSA-N 0 1 351.397 2.507 10 0 FFAEMN COc1ccccc1CC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000116245291 508492161 /nfs/dbraw/zinc/49/21/61/508492161.db2.gz OBKZMWAMGGLVRQ-APWZRJJASA-N 0 1 353.466 2.660 10 0 FFAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000116569218 508531316 /nfs/dbraw/zinc/53/13/16/508531316.db2.gz HNXIGJOUVFLNLX-UWVAXJGDSA-N 0 1 372.513 2.503 10 0 FFAEMN Cc1coc(-c2cccc(NC(=O)N3CCO[C@H](c4n[nH]c(C)n4)C3)c2)n1 ZINC000157688935 508597833 /nfs/dbraw/zinc/59/78/33/508597833.db2.gz AILMHHXDFPMMIC-HNNXBMFYSA-N 0 1 368.397 2.682 10 0 FFAEMN CCc1ccc(NC(=O)N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)cc1 ZINC000117435623 508598138 /nfs/dbraw/zinc/59/81/38/508598138.db2.gz AMWMUSPHAYDYEK-HXUWFJFHSA-N 0 1 374.529 2.508 10 0 FFAEMN O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000128874322 508654088 /nfs/dbraw/zinc/65/40/88/508654088.db2.gz NHCQHZPAXKWLCB-LLVKDONJSA-N 0 1 361.269 2.666 10 0 FFAEMN Cc1c([C@@H](C)NC[C@H](C)N2CCOCC2)nnn1-c1cccc(Cl)c1 ZINC000123225668 508655325 /nfs/dbraw/zinc/65/53/25/508655325.db2.gz XIFFJPFIILFUNX-UONOGXRCSA-N 0 1 363.893 2.600 10 0 FFAEMN CCc1nc([C@H]2CN(C(=O)NC[C@H](CC)c3ccccc3)CCO2)n[nH]1 ZINC000136425736 508693959 /nfs/dbraw/zinc/69/39/59/508693959.db2.gz XQGPRQMOKCFMCM-GOEBONIOSA-N 0 1 357.458 2.644 10 0 FFAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000158468122 508708318 /nfs/dbraw/zinc/70/83/18/508708318.db2.gz SBWYETKAPBVMMR-FYYLOGMGSA-N 0 1 364.489 2.860 10 0 FFAEMN Cc1cc(NC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)cnc1Cl ZINC000119124637 508730431 /nfs/dbraw/zinc/73/04/31/508730431.db2.gz AMLWLKPRQMLJER-CYBMUJFWSA-N 0 1 352.866 2.760 10 0 FFAEMN COc1ccc(NC(=O)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)c(C)n1 ZINC000123865522 508750145 /nfs/dbraw/zinc/75/01/45/508750145.db2.gz QNASYIKINULCDL-MRXNPFEDSA-N 0 1 352.398 2.736 10 0 FFAEMN Cc1ccc([C@@H]2CN(C(=O)c3c[n-]c4[nH+]c(C)ccc4c3=O)CCO2)o1 ZINC000154276425 508750234 /nfs/dbraw/zinc/75/02/34/508750234.db2.gz GSVWEICXFUGXIS-INIZCTEOSA-N 0 1 353.378 2.759 10 0 FFAEMN COC(=O)[C@@H](Nc1ccc2c(c1)CN(C)C2)c1cc(OC)cc(OC)c1 ZINC000159207791 508807804 /nfs/dbraw/zinc/80/78/04/508807804.db2.gz ISGKLSJZLFLTSN-IBGZPJMESA-N 0 1 356.422 2.975 10 0 FFAEMN O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2ccccc2c1 ZINC000159296006 508820636 /nfs/dbraw/zinc/82/06/36/508820636.db2.gz TXFMYMNCZGPDPV-QFIPXVFZSA-N 0 1 360.457 2.989 10 0 FFAEMN Cc1ccc(CCN2CCN(C[C@@H](O)COc3ccccc3)CC2)cc1 ZINC000124647338 508863404 /nfs/dbraw/zinc/86/34/04/508863404.db2.gz FTEAWWLNVPPPBC-OAQYLSRUSA-N 0 1 354.494 2.595 10 0 FFAEMN CCOCCN1CCN(C(=O)Nc2cc(F)c(OC)c(F)c2)C[C@H]1CC ZINC000119942550 508894746 /nfs/dbraw/zinc/89/47/46/508894746.db2.gz TWDLQLBUQQCHGQ-CQSZACIVSA-N 0 1 371.428 2.938 10 0 FFAEMN O=C([C@H]1CCCN1Cc1ccccc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000131333030 508917716 /nfs/dbraw/zinc/91/77/16/508917716.db2.gz OOMAOSNEALXTCN-VQTJNVASSA-N 0 1 351.450 2.726 10 0 FFAEMN CCOc1ccc(NC(=O)C(=O)N[C@H](CN(C)C)c2ccccc2)cc1F ZINC000125061174 508924831 /nfs/dbraw/zinc/92/48/31/508924831.db2.gz HTMZVAJWWGPTSN-QGZVFWFLSA-N 0 1 373.428 2.582 10 0 FFAEMN CN(C)C[C@@H](NC(=O)NCC[S@@](=O)Cc1ccccc1)c1ccccc1 ZINC000120399996 508987825 /nfs/dbraw/zinc/98/78/25/508987825.db2.gz KJGGTQAPGVZNOD-BCHFMIIMSA-N 0 1 373.522 2.537 10 0 FFAEMN Cc1ccc(C[C@@H](C)NC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)s1 ZINC000162080655 509171744 /nfs/dbraw/zinc/17/17/44/509171744.db2.gz APAYLMYJNSPTEC-HUUCEWRRSA-N 0 1 365.543 2.882 10 0 FFAEMN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000188641715 509188966 /nfs/dbraw/zinc/18/89/66/509188966.db2.gz NXHLQDQSYHSQES-CWRNSKLLSA-N 0 1 356.426 2.679 10 0 FFAEMN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3cc(F)c(F)c(F)c3)C2=O)n(C)n1 ZINC000182354542 509191071 /nfs/dbraw/zinc/19/10/71/509191071.db2.gz GICKMWMTVLHZEJ-XHDPSFHLSA-N 0 1 366.387 2.992 10 0 FFAEMN O[C@H](COc1c(Cl)cccc1Cl)CN1CCC[C@@H](n2cncn2)C1 ZINC000247927520 509193416 /nfs/dbraw/zinc/19/34/16/509193416.db2.gz ZZQITCDZIRUIBS-OLZOCXBDSA-N 0 1 371.268 2.662 10 0 FFAEMN Cc1nc([C@H](NC(=O)CC2CCC3(CC2)OCCO3)c2ccccc2)n[nH]1 ZINC000191819159 509197156 /nfs/dbraw/zinc/19/71/56/509197156.db2.gz NDHWLHNRQXJGDF-GOSISDBHSA-N 0 1 370.453 2.642 10 0 FFAEMN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1[nH]nc2c1CNCC2 ZINC000188658738 509198124 /nfs/dbraw/zinc/19/81/24/509198124.db2.gz WZBMAOYCTZBMAK-INIZCTEOSA-N 0 1 352.438 2.622 10 0 FFAEMN CC(=O)N1CC[C@@H](NC(=O)c2n[nH]c3ccccc32)c2ccc(F)cc2C1 ZINC000185510255 509213339 /nfs/dbraw/zinc/21/33/39/509213339.db2.gz BYOWQVHUVYRDMP-QGZVFWFLSA-N 0 1 366.396 2.925 10 0 FFAEMN C[N@H+]1CC[C@H](NC(=O)c2ccccc2Cn2cncn2)[C@H]1c1ccccc1 ZINC000248032112 509221169 /nfs/dbraw/zinc/22/11/69/509221169.db2.gz KMKBYGIZIDITIJ-VQTJNVASSA-N 0 1 361.449 2.502 10 0 FFAEMN Cc1nn2c(nc(C)cc2C)c1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248133092 509244031 /nfs/dbraw/zinc/24/40/31/509244031.db2.gz WWHIZLLAJMQPDJ-HKUYNNGSSA-N 0 1 363.465 2.830 10 0 FFAEMN CC[C@H]1CN(C(=O)c2nc(C)oc2-c2ccccc2)CC[N@H+]1C[C@H](C)O ZINC000248427069 509313637 /nfs/dbraw/zinc/31/36/37/509313637.db2.gz MXQBIIDBKCLORN-YOEHRIQHSA-N 0 1 357.454 2.567 10 0 FFAEMN CC[C@H]1CN(C(=O)c2nc(C)oc2-c2ccccc2)CCN1C[C@H](C)O ZINC000248427069 509313645 /nfs/dbraw/zinc/31/36/45/509313645.db2.gz MXQBIIDBKCLORN-YOEHRIQHSA-N 0 1 357.454 2.567 10 0 FFAEMN C[C@@H]1CN(C(=O)NCc2cccnc2N2CCN(C)CC2)[C@@H]2CCCC[C@H]21 ZINC000248428023 509314757 /nfs/dbraw/zinc/31/47/57/509314757.db2.gz OZLGSNUBAWSRRQ-NZSAHSFTSA-N 0 1 371.529 2.554 10 0 FFAEMN CC[C@@H]1CN(C(=O)NC[C@H](C)c2ccc(F)cc2F)CCN1C[C@@H](C)O ZINC000248500403 509344601 /nfs/dbraw/zinc/34/46/01/509344601.db2.gz SQMAGGQBXQQQKV-SQWLQELKSA-N 0 1 369.456 2.555 10 0 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ZINC000092669140 508092997 /nfs/dbraw/zinc/09/29/97/508092997.db2.gz RVBNIXPPGAGLIN-LBPRGKRZSA-N 0 1 361.305 2.554 10 0 FFAEMN Cc1ccc(N2CCCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)nn1 ZINC000093272332 508132069 /nfs/dbraw/zinc/13/20/69/508132069.db2.gz OLVCDBKEYHGAAA-UHFFFAOYSA-N 0 1 366.444 2.822 10 0 FFAEMN Cc1ccc(NC(=O)[C@H](N[C@@H]2CCc3ncnn3C2)c2ccccc2)cc1 ZINC000112550124 508195445 /nfs/dbraw/zinc/19/54/45/508195445.db2.gz NPNLWAAULYHJQA-UYAOXDASSA-N 0 1 361.449 2.871 10 0 FFAEMN CCCn1cc(CN2CCCN(c3cnc4ccccc4n3)CC2)cn1 ZINC000112556914 508197476 /nfs/dbraw/zinc/19/74/76/508197476.db2.gz PQRHHPLGEAUHBW-UHFFFAOYSA-N 0 1 350.470 2.949 10 0 FFAEMN CC(C)CC(=O)N[C@@H](C(=O)NCCc1nc2ccc(F)cc2[nH]1)C(C)C ZINC000081797096 508211639 /nfs/dbraw/zinc/21/16/39/508211639.db2.gz KQKVPAZVZSNCGU-GOSISDBHSA-N 0 1 362.449 2.548 10 0 FFAEMN CC(C)[C@H](C)NC(=O)C1CCN(CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000101549429 508244550 /nfs/dbraw/zinc/24/45/50/508244550.db2.gz VPPNUKMZMXCCEI-INIZCTEOSA-N 0 1 363.546 2.793 10 0 FFAEMN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000113305273 508259905 /nfs/dbraw/zinc/25/99/05/508259905.db2.gz DIMFBTVAHGRGJF-ZYHUDNBSSA-N 0 1 366.380 2.702 10 0 FFAEMN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000113305410 508260140 /nfs/dbraw/zinc/26/01/40/508260140.db2.gz ZFCPLIIBARKPST-WDEREUQCSA-N 0 1 366.380 2.702 10 0 FFAEMN COc1ccc([C@H](C)NCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1F ZINC000102699784 508282494 /nfs/dbraw/zinc/28/24/94/508282494.db2.gz HZMQNZSQRCYEJU-HEHGZKQESA-N 0 1 365.449 2.889 10 0 FFAEMN Cc1ccc(NC(=O)CN(C)[C@H]2CCCN(c3cccnn3)C2)cc1Cl ZINC000106078992 508391418 /nfs/dbraw/zinc/39/14/18/508391418.db2.gz YDEJVCVFTMOXMB-INIZCTEOSA-N 0 1 373.888 2.978 10 0 FFAEMN COC(=O)c1sc2ccccc2c1CN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000106097929 508393199 /nfs/dbraw/zinc/39/31/99/508393199.db2.gz RDUNNTWYJVJBKQ-UONOGXRCSA-N 0 1 362.495 2.575 10 0 FFAEMN CCN(Cc1cccc(F)c1)C(=O)CN1CCC(Cn2cccn2)CC1 ZINC000106184899 508397124 /nfs/dbraw/zinc/39/71/24/508397124.db2.gz ABUOHSABJBVPLJ-UHFFFAOYSA-N 0 1 358.461 2.783 10 0 FFAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000106424045 508400578 /nfs/dbraw/zinc/40/05/78/508400578.db2.gz SYUNCUNFKJVDPM-NRFANRHFSA-N 0 1 351.494 2.504 10 0 FFAEMN Cn1nccc1C1CCN([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000115539539 508406380 /nfs/dbraw/zinc/40/63/80/508406380.db2.gz DICBOEGCYBDATO-LJQANCHMSA-N 0 1 356.445 2.934 10 0 FFAEMN O=C1[C@H](N2CCC(Cn3cccn3)CC2)CCCN1c1cccc(F)c1 ZINC000115542954 508407142 /nfs/dbraw/zinc/40/71/42/508407142.db2.gz FYVYRBWABJCSOQ-LJQANCHMSA-N 0 1 356.445 2.930 10 0 FFAEMN Cc1cccc(F)c1NC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000133595143 508421649 /nfs/dbraw/zinc/42/16/49/508421649.db2.gz HTSXFCGEBOAKFB-KRWDZBQOSA-N 0 1 357.429 2.675 10 0 FFAEMN CCC[C@@H](C(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1)N(C)C ZINC000127253081 508421925 /nfs/dbraw/zinc/42/19/25/508421925.db2.gz ZUDMXFONCDFALN-AWEZNQCLSA-N 0 1 364.471 2.708 10 0 FFAEMN C[C@@H](C(=O)N1CCC(Cc2nccn2C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000121959750 508456906 /nfs/dbraw/zinc/45/69/06/508456906.db2.gz ZYBWJEJZCGQWCT-KRWDZBQOSA-N 0 1 366.509 2.648 10 0 FFAEMN Cc1ccc([C@H](C)NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000122144505 508488315 /nfs/dbraw/zinc/48/83/15/508488315.db2.gz DZTLDGHWJXHSGB-UWJYYQICSA-N 0 1 367.493 2.774 10 0 FFAEMN Cc1noc(C)c1CCC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000116246510 508491024 /nfs/dbraw/zinc/49/10/24/508491024.db2.gz IPPSQIFDCCTRCR-IFXJQAMLSA-N 0 1 356.470 2.646 10 0 FFAEMN CN(C)C[C@H](NC(=O)C(=O)N1CCc2c1cccc2Cl)c1ccccc1 ZINC000127879863 508514625 /nfs/dbraw/zinc/51/46/25/508514625.db2.gz OUJWQWKOBVTATG-KRWDZBQOSA-N 0 1 371.868 2.648 10 0 FFAEMN Cc1ccc2oc(N3CCN(C(=O)[C@H]4CCCc5[nH]ncc54)CC3)nc2c1 ZINC000134341572 508522649 /nfs/dbraw/zinc/52/26/49/508522649.db2.gz RAVIXSLCNKUQKY-AWEZNQCLSA-N 0 1 365.437 2.628 10 0 FFAEMN Cc1nc(CN2CCCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)no1 ZINC000127948281 508526308 /nfs/dbraw/zinc/52/63/08/508526308.db2.gz GGUMGYYDIKIGIX-UHFFFAOYSA-N 0 1 370.432 2.615 10 0 FFAEMN CCOCCN1CCN(C(=O)c2c[nH]nc2-c2ccccc2)C[C@@H]1CC ZINC000116977351 508574757 /nfs/dbraw/zinc/57/47/57/508574757.db2.gz NNSOIZSDLYPVEU-KRWDZBQOSA-N 0 1 356.470 2.650 10 0 FFAEMN C[C@@H](CCSc1ccccc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000153421044 508581497 /nfs/dbraw/zinc/58/14/97/508581497.db2.gz DLJNHGGYCRFHHU-INIZCTEOSA-N 0 1 368.510 2.817 10 0 FFAEMN C[C@@H]1CN(C2CCN(C(=O)c3cccc(OC(F)(F)F)c3)CC2)CCO1 ZINC000153545206 508594425 /nfs/dbraw/zinc/59/44/25/508594425.db2.gz VUXPYKAWAGGNBW-CYBMUJFWSA-N 0 1 372.387 2.911 10 0 FFAEMN CCc1ccc(NC(=O)N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)cc1 ZINC000117435625 508598271 /nfs/dbraw/zinc/59/82/71/508598271.db2.gz AMWMUSPHAYDYEK-FQEVSTJZSA-N 0 1 374.529 2.508 10 0 FFAEMN CC[C@H]1CN(C(=O)NCc2cccc(C(F)(F)F)c2)CCN1CCOC ZINC000117469495 508600894 /nfs/dbraw/zinc/60/08/94/508600894.db2.gz LHIPWXQBUUMEGV-INIZCTEOSA-N 0 1 373.419 2.958 10 0 FFAEMN CC[C@H]1CN(C(=O)NCCCc2c[nH]c3ccccc23)CCN1CCOC ZINC000117494285 508602527 /nfs/dbraw/zinc/60/25/27/508602527.db2.gz KQVBYCNHMFAVOQ-SFHVURJKSA-N 0 1 372.513 2.853 10 0 FFAEMN CO[C@@H]1CC[C@@H]2OCCN(C[C@H](O)COc3cccc4ccccc43)[C@@H]2C1 ZINC000157986944 508642214 /nfs/dbraw/zinc/64/22/14/508642214.db2.gz MNPUGLLYTYNPLH-IKLNAOFOSA-N 0 1 371.477 2.848 10 0 FFAEMN Cc1cccc2nc(CCC(=O)N3CC[C@H](Oc4cccnc4)C3)[nH]c21 ZINC000135736624 508644940 /nfs/dbraw/zinc/64/49/40/508644940.db2.gz LACWOILELRDSNV-INIZCTEOSA-N 0 1 350.422 2.879 10 0 FFAEMN CCc1nc([C@H]2CN(C(=O)NCc3ccc(C(C)(C)C)cc3)CCO2)n[nH]1 ZINC000137936815 508767176 /nfs/dbraw/zinc/76/71/76/508767176.db2.gz FMVYNQPQPYYLIB-MRXNPFEDSA-N 0 1 371.485 2.948 10 0 FFAEMN CC(C)(C)OC(=O)N(CC1CC1)C1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000119374955 508783357 /nfs/dbraw/zinc/78/33/57/508783357.db2.gz AYMAGWROUDPHSB-QGZVFWFLSA-N 0 1 365.518 2.767 10 0 FFAEMN COCCC1(CNC(=O)N[C@H](c2n[nH]c(C)n2)c2ccccc2)CCC1 ZINC000119433429 508795192 /nfs/dbraw/zinc/79/51/92/508795192.db2.gz VITPGBRKAVNNGP-INIZCTEOSA-N 0 1 357.458 2.709 10 0 FFAEMN CCc1nc([C@@H]2CN(C(=O)NC[C@H](C)c3ccc(C)cc3)CCO2)n[nH]1 ZINC000141615849 508817110 /nfs/dbraw/zinc/81/71/10/508817110.db2.gz LBKPHMGNDBCZRA-HOCLYGCPSA-N 0 1 357.458 2.562 10 0 FFAEMN CN(C)C[C@H](NC(=O)C(=O)Nc1cccc2[nH]ccc21)c1ccccc1 ZINC000119568718 508820392 /nfs/dbraw/zinc/82/03/92/508820392.db2.gz IWDHCLPYPXTMSQ-SFHVURJKSA-N 0 1 350.422 2.526 10 0 FFAEMN COc1cccc2c1CC[C@H]2NC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000154633602 508822906 /nfs/dbraw/zinc/82/29/06/508822906.db2.gz WVENVNBSKLMHIL-HNAYVOBHSA-N 0 1 373.497 2.577 10 0 FFAEMN COc1ccc([C@@H](NC(=O)c2[nH]nc3c2CCCC3)c2nccn2C)cc1 ZINC000119792547 508863813 /nfs/dbraw/zinc/86/38/13/508863813.db2.gz HTWJATJDLNUXRR-QGZVFWFLSA-N 0 1 365.437 2.550 10 0 FFAEMN CN(CCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000151172291 508971460 /nfs/dbraw/zinc/97/14/60/508971460.db2.gz VCPWLQITBWRJEY-YLJYHZDGSA-N 0 1 363.477 2.594 10 0 FFAEMN COc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)c2ccccc12 ZINC000120509868 509010754 /nfs/dbraw/zinc/01/07/54/509010754.db2.gz YQYDJZRSJUJANS-UHFFFAOYSA-N 0 1 374.448 2.608 10 0 FFAEMN CCS(=O)(=O)c1ccc2oc(CN3CCC(c4ccn[nH]4)CC3)nc2c1 ZINC000125775987 509028613 /nfs/dbraw/zinc/02/86/13/509028613.db2.gz PBXBLZOPRILTID-UHFFFAOYSA-N 0 1 374.466 2.724 10 0 FFAEMN Cc1cccc2c(O)c(C(=O)N3CCC(N4CCO[C@H](C)C4)CC3)cnc12 ZINC000155850266 509082367 /nfs/dbraw/zinc/08/23/67/509082367.db2.gz JVGNDAOSMHNKTE-OAHLLOKOSA-N 0 1 369.465 2.574 10 0 FFAEMN CCN(CC)[C@@H](C(=O)N1CCC[C@H](Cn2cncn2)C1)c1ccccc1 ZINC000126919577 509147809 /nfs/dbraw/zinc/14/78/09/509147809.db2.gz VGRZXDVRTKJJBR-PKOBYXMFSA-N 0 1 355.486 2.600 10 0 FFAEMN Cc1nc([C@H](NC(=O)COc2cc(C)ccc2F)c2ccccc2)n[nH]1 ZINC000162057555 509171053 /nfs/dbraw/zinc/17/10/53/509171053.db2.gz MSIYOKWYVLHQHS-GOSISDBHSA-N 0 1 354.385 2.845 10 0 FFAEMN CCc1nc([C@H]2CN(C(=O)[C@@H](C)CSCc3ccccc3)CCO2)n[nH]1 ZINC000162120025 509173009 /nfs/dbraw/zinc/17/30/09/509173009.db2.gz AKYVQHZZISDFGA-GOEBONIOSA-N 0 1 374.510 2.837 10 0 FFAEMN CCn1cc(C2CCN(CC(=O)N3CCC[C@@H](C(F)(F)F)C3)CC2)cn1 ZINC000195501245 509195582 /nfs/dbraw/zinc/19/55/82/509195582.db2.gz RXTLUYAXZQYCCV-MRXNPFEDSA-N 0 1 372.435 2.883 10 0 FFAEMN Cc1cc(C)cc(NC(=O)[C@@H](C)N2CCC(c3ccnn3CCO)CC2)c1 ZINC000195508075 509200535 /nfs/dbraw/zinc/20/05/35/509200535.db2.gz XULUCTQUIWBRSL-QGZVFWFLSA-N 0 1 370.497 2.699 10 0 FFAEMN CC[C@H]1CN(C(=O)NC[C@@H](c2cccnc2)C(C)C)CCN1CCOC ZINC000175896298 509204384 /nfs/dbraw/zinc/20/43/84/509204384.db2.gz LRCUVGUQVAMWCT-RBUKOAKNSA-N 0 1 362.518 2.573 10 0 FFAEMN CC(C)[C@@H](CNC(=O)N1CCC(N2CCO[C@H](C)C2)CC1)c1cccnc1 ZINC000175904594 509209360 /nfs/dbraw/zinc/20/93/60/509209360.db2.gz LPCVOKHDPRHFSV-YLJYHZDGSA-N 0 1 374.529 2.716 10 0 FFAEMN CC[C@H]1CN(C(=O)NCc2ccc(C(F)F)cc2)CCN1CCOC ZINC000185689389 509305617 /nfs/dbraw/zinc/30/56/17/509305617.db2.gz LIVRWNBFPVWQOM-INIZCTEOSA-N 0 1 355.429 2.876 10 0 FFAEMN CC[C@@H]1CN(C(=O)NCc2ccc(C(F)(F)F)cc2)CCN1C[C@H](C)O ZINC000248446057 509324079 /nfs/dbraw/zinc/32/40/79/509324079.db2.gz FRONIKCKURXRLR-XJKSGUPXSA-N 0 1 373.419 2.692 10 0 FFAEMN c1cn(-c2ccccc2)nc1CNCc1n[nH]c(COc2ccccc2)n1 ZINC000185764602 509343647 /nfs/dbraw/zinc/34/36/47/509343647.db2.gz IYTVMCPLZOKVDO-UHFFFAOYSA-N 0 1 360.421 2.859 10 0 FFAEMN CC[C@@H]1CN(C(=O)N[C@@H](c2ncccc2C)C(C)C)CCN1C[C@H](C)O ZINC000248499437 509344788 /nfs/dbraw/zinc/34/47/88/509344788.db2.gz SEGVJJXTSHDURZ-RCCFBDPRSA-N 0 1 362.518 2.574 10 0 FFAEMN Cc1nc([C@H](NC(=O)c2cc(Br)cn2C)c2ccccc2)n[nH]1 ZINC000173030191 509357857 /nfs/dbraw/zinc/35/78/57/509357857.db2.gz FKONZFDCBWWDJQ-CQSZACIVSA-N 0 1 374.242 2.734 10 0 FFAEMN O[C@@H](COc1cccc2ccccc21)CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000182677795 509366136 /nfs/dbraw/zinc/36/61/36/509366136.db2.gz UUFMYQNTCADZHX-SJLPKXTDSA-N 0 1 352.438 2.925 10 0 FFAEMN Cc1ccc(CN(C(=O)CN2CCCC[C@@H]2c2nnc[nH]2)C2CC2)cc1 ZINC000182714303 509388889 /nfs/dbraw/zinc/38/88/89/509388889.db2.gz MOVVOIIZMHSAGA-GOSISDBHSA-N 0 1 353.470 2.831 10 0 FFAEMN Cc1ccc(-c2nc(CC(=O)N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)cs2)cc1 ZINC000248639568 509409381 /nfs/dbraw/zinc/40/93/81/509409381.db2.gz BFMUJQNECDXQQD-HOTGVXAUSA-N 0 1 373.522 2.575 10 0 FFAEMN Cc1ccc(-c2nc(CC(=O)N3CCN(C[C@H](C)O)C[C@@H]3C)cs2)cc1 ZINC000248639568 509409389 /nfs/dbraw/zinc/40/93/89/509409389.db2.gz BFMUJQNECDXQQD-HOTGVXAUSA-N 0 1 373.522 2.575 10 0 FFAEMN CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CC[N@H+]1CCOC ZINC000248650636 509418480 /nfs/dbraw/zinc/41/84/80/509418480.db2.gz SDVUICWNVGGIIN-QLFBSQMISA-N 0 1 370.415 2.777 10 0 FFAEMN CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CCN1CCOC ZINC000248650636 509418487 /nfs/dbraw/zinc/41/84/87/509418487.db2.gz SDVUICWNVGGIIN-QLFBSQMISA-N 0 1 370.415 2.777 10 0 FFAEMN COc1ccc([C@H](C)C(=O)NCCc2nnc(-c3ccccc3)[nH]2)cc1 ZINC000163745632 509419157 /nfs/dbraw/zinc/41/91/57/509419157.db2.gz MXZOTWLDVXHGGI-AWEZNQCLSA-N 0 1 350.422 2.943 10 0 FFAEMN CSC1(CNC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000248660797 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CCCC(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)C1 ZINC000101528288 508243130 /nfs/dbraw/zinc/24/31/30/508243130.db2.gz QTHTVEHVNFIAQT-MRXNPFEDSA-N 0 1 354.454 2.906 10 0 FFAEMN CCN(Cc1cnn(C)c1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000101730505 508255791 /nfs/dbraw/zinc/25/57/91/508255791.db2.gz SHZDUOMEUDSXCK-ZDUSSCGKSA-N 0 1 358.269 2.989 10 0 FFAEMN CNC(=O)c1cccc(NC(=O)[C@H](C)N(C)CCc2ccccc2OC)c1 ZINC000104709501 508342805 /nfs/dbraw/zinc/34/28/05/508342805.db2.gz NFTTZRBUYHRBJG-HNNXBMFYSA-N 0 1 369.465 2.556 10 0 FFAEMN C[C@@H](O)CN1CCN(Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@@H]1C ZINC000106097913 508393090 /nfs/dbraw/zinc/39/30/90/508393090.db2.gz NTFVYFYMRNVHEU-NWDGAFQWSA-N 0 1 357.285 2.528 10 0 FFAEMN CCOCCN1CCN([C@@H](C)C(=O)N2CCCc3ccccc32)C[C@@H]1CC ZINC000106119647 508395638 /nfs/dbraw/zinc/39/56/38/508395638.db2.gz OZDJHQAJOVHGIP-ICSRJNTNSA-N 0 1 373.541 2.787 10 0 FFAEMN Cn1cc(CN2CCCN(Cc3ccc(Br)cc3)CC2)cn1 ZINC000106158064 508396278 /nfs/dbraw/zinc/39/62/78/508396278.db2.gz 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ZINC000121993339 508463813 /nfs/dbraw/zinc/46/38/13/508463813.db2.gz JCZZZNJKQJBLSN-INIZCTEOSA-N 0 1 374.485 2.833 10 0 FFAEMN O=C(Nc1cccc(OCC(F)F)n1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000134090727 508491259 /nfs/dbraw/zinc/49/12/59/508491259.db2.gz KJMDYRMPRIUPAD-JTQLQIEISA-N 0 1 352.345 2.603 10 0 FFAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)NCCc1ccc(F)cc1 ZINC000116412259 508509725 /nfs/dbraw/zinc/50/97/25/508509725.db2.gz PAQGCBZHOSGGSK-JXFKEZNVSA-N 0 1 370.472 2.973 10 0 FFAEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)NCCOc1ccccc1 ZINC000116521390 508523986 /nfs/dbraw/zinc/52/39/86/508523986.db2.gz JRIMGXQIAQXCEO-PXNSSMCTSA-N 0 1 368.481 2.670 10 0 FFAEMN CCOCCN1CCN(C(=O)c2cc(=O)[nH]c3ccccc32)C[C@@H]1CC ZINC000116771041 508557976 /nfs/dbraw/zinc/55/79/76/508557976.db2.gz ILVZCJLZSPKBBV-HNNXBMFYSA-N 0 1 357.454 2.513 10 0 FFAEMN CCOCCN1CCN(C(=O)Cc2coc3cc(OC)ccc23)C[C@@H]1CC ZINC000116769704 508558376 /nfs/dbraw/zinc/55/83/76/508558376.db2.gz RCBPRDSUTGDHDR-KRWDZBQOSA-N 0 1 374.481 2.943 10 0 FFAEMN CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000134753210 508564505 /nfs/dbraw/zinc/56/45/05/508564505.db2.gz OWXKKSQBRLWGQF-GOSISDBHSA-N 0 1 374.529 2.614 10 0 FFAEMN CCOCCN1CCN(C(=O)N[C@@H](C)Cc2cccs2)C[C@H]1CC ZINC000117032796 508576445 /nfs/dbraw/zinc/57/64/45/508576445.db2.gz KUXOOMABFVDGEI-JKSUJKDBSA-N 0 1 353.532 2.821 10 0 FFAEMN CC[C@H]1CN(C(=O)c2cc(C)ccc2Br)CCN1C[C@@H](C)O ZINC000157613903 508588244 /nfs/dbraw/zinc/58/82/44/508588244.db2.gz AQMQLMYFVUEPLF-KGLIPLIRSA-N 0 1 369.303 2.675 10 0 FFAEMN CC[C@@H]1CN(C(=O)Cc2cccc(C(F)(F)F)c2)CCN1CCOC ZINC000117299915 508590414 /nfs/dbraw/zinc/59/04/14/508590414.db2.gz JCGATRISVNVRQG-MRXNPFEDSA-N 0 1 358.404 2.817 10 0 FFAEMN CCc1cccc(NC(=O)N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)c1 ZINC000117436282 508598074 /nfs/dbraw/zinc/59/80/74/508598074.db2.gz DPSWYMSORVRMAF-HXUWFJFHSA-N 0 1 374.529 2.508 10 0 FFAEMN CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)CCN1CCOC ZINC000117468486 508600806 /nfs/dbraw/zinc/60/08/06/508600806.db2.gz 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ZINC000123601864 508713607 /nfs/dbraw/zinc/71/36/07/508713607.db2.gz YMFLXCPGBKCUBG-WMLDXEAASA-N 0 1 355.320 2.941 10 0 FFAEMN CCOCCN1CCN(C(=O)N[C@@H](CC)c2c(C)noc2C)C[C@H]1CC ZINC000123694067 508725697 /nfs/dbraw/zinc/72/56/97/508725697.db2.gz CWOPHUJIYONVJR-SJORKVTESA-N 0 1 366.506 2.885 10 0 FFAEMN CCc1nnc(-c2cccc(NC(=O)c3cnc4c(cnn4C)c3O)c2)o1 ZINC000119303845 508768580 /nfs/dbraw/zinc/76/85/80/508768580.db2.gz YHFCLAKMHOQBAK-UHFFFAOYSA-N 0 1 364.365 2.539 10 0 FFAEMN CCc1nnc(-c2cccc(NC(=O)c3cnc4n(C)[nH]cc-4c3=O)c2)o1 ZINC000119303845 508768583 /nfs/dbraw/zinc/76/85/83/508768583.db2.gz YHFCLAKMHOQBAK-UHFFFAOYSA-N 0 1 364.365 2.539 10 0 FFAEMN CCc1nc([C@H]2CN(C(=O)NCCCCCc3ccccc3)CCO2)n[nH]1 ZINC000138729560 508778416 /nfs/dbraw/zinc/77/84/16/508778416.db2.gz FQODBKLAAIBREL-QGZVFWFLSA-N 0 1 371.485 2.863 10 0 FFAEMN CCc1nc([C@H]2CN(C(=O)N[C@H](C)Cc3cc(C)cc(C)c3)CCO2)n[nH]1 ZINC000119380265 508784630 /nfs/dbraw/zinc/78/46/30/508784630.db2.gz PCXUBDXFKHLOGG-NVXWUHKLSA-N 0 1 371.485 2.698 10 0 FFAEMN O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(Cl)cc1F ZINC000159211850 508807872 /nfs/dbraw/zinc/80/78/72/508807872.db2.gz XNQMLHJKNHEWGW-INIZCTEOSA-N 0 1 362.832 2.628 10 0 FFAEMN COc1cc(OC)cc([C@@H]2CCN(C(=O)N[C@@H](C)Cc3cc(C)[nH]n3)C2)c1 ZINC000124533420 508847018 /nfs/dbraw/zinc/84/70/18/508847018.db2.gz XLNHHROEJYRWPS-DZGCQCFKSA-N 0 1 372.469 2.865 10 0 FFAEMN CN(C)S(=O)(=O)c1ccc(CN2CCC[C@@H](c3nccs3)C2)cc1 ZINC000130960113 508870252 /nfs/dbraw/zinc/87/02/52/508870252.db2.gz OLTCXWVXZFPUQK-OAHLLOKOSA-N 0 1 365.524 2.773 10 0 FFAEMN CC(C)Oc1ncccc1NC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000124800487 508886973 /nfs/dbraw/zinc/88/69/73/508886973.db2.gz WGUJNMJXWBZONQ-HNNXBMFYSA-N 0 1 362.474 2.586 10 0 FFAEMN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC(N(C)c2cccnn2)CC1 ZINC000155056670 508913778 /nfs/dbraw/zinc/91/37/78/508913778.db2.gz HYOGVHWFEFEEOE-BRWVUGGUSA-N 0 1 359.518 2.555 10 0 FFAEMN C[C@H]1CC[C@H](C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)O1 ZINC000151040026 508945058 /nfs/dbraw/zinc/94/50/58/508945058.db2.gz NOLFGEVGXAIAIH-GZMMTYOYSA-N 0 1 351.204 2.740 10 0 FFAEMN O=C(C[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)NC1CCCCCCC1 ZINC000125408155 508978981 /nfs/dbraw/zinc/97/89/81/508978981.db2.gz LOHQCBVQALTEID-VQIMIIECSA-N 0 1 361.530 2.691 10 0 FFAEMN O=C(CN1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)NC1CCCCCCC1 ZINC000125408155 508978985 /nfs/dbraw/zinc/97/89/85/508978985.db2.gz LOHQCBVQALTEID-VQIMIIECSA-N 0 1 361.530 2.691 10 0 FFAEMN CN(C)C[C@@H](NC(=O)NCC[S@](=O)Cc1ccccc1)c1ccccc1 ZINC000120400334 508987832 /nfs/dbraw/zinc/98/78/32/508987832.db2.gz KJGGTQAPGVZNOD-NIYFSFCBSA-N 0 1 373.522 2.537 10 0 FFAEMN Cc1nc([C@@H](NC(=O)NCCc2nc(C)c(C)s2)c2ccccc2)n[nH]1 ZINC000120694036 509046983 /nfs/dbraw/zinc/04/69/83/509046983.db2.gz JJORMDWOJOGLBZ-INIZCTEOSA-N 0 1 370.482 2.818 10 0 FFAEMN CCOCCN1CCN(C(=O)Nc2cc(OC)ccc2F)C[C@@H]1CC ZINC000132864672 509084700 /nfs/dbraw/zinc/08/47/00/509084700.db2.gz LQJJECVAJXZLRV-AWEZNQCLSA-N 0 1 353.438 2.799 10 0 FFAEMN 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CC[C@H]1CN(C(=O)c2ccc(Oc3cccnc3)cc2)CCN1C[C@@H](C)O ZINC000174644523 510225587 /nfs/dbraw/zinc/22/55/87/510225587.db2.gz YBVOZPKAVVIYKS-AEFFLSMTSA-N 0 1 369.465 2.791 10 0 FFAEMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000245957965 510227841 /nfs/dbraw/zinc/22/78/41/510227841.db2.gz XPKSDQDGCMQKJN-NVXWUHKLSA-N 0 1 374.510 2.747 10 0 FFAEMN Cc1nc([C@H](NC(=O)Cn2c(C)nc3ccccc32)c2ccccc2)n[nH]1 ZINC000171571532 510232612 /nfs/dbraw/zinc/23/26/12/510232612.db2.gz YNALMUWBVFLABO-LJQANCHMSA-N 0 1 360.421 2.677 10 0 FFAEMN Cc1cc(N2CCCC2)ccc1NC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000245988713 510239926 /nfs/dbraw/zinc/23/99/26/510239926.db2.gz CTWVDKOHNSXXKE-SJORKVTESA-N 0 1 360.502 2.514 10 0 FFAEMN CCOCCN1CCN(c2cc(CC)nc(-c3ccncc3)n2)C[C@@H]1C ZINC000246023303 510255010 /nfs/dbraw/zinc/25/50/10/510255010.db2.gz MEZOKXHOHDAZER-INIZCTEOSA-N 0 1 355.486 2.648 10 0 FFAEMN Cc1ccc(S(=O)(=O)CCCN2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000246109936 510298762 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Cc1cc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)c2cnn(C(C)C)c2n1 ZINC000181358951 510372976 /nfs/dbraw/zinc/37/29/76/510372976.db2.gz OKOSZHLFKSGEDX-HNNXBMFYSA-N 0 1 353.430 2.806 10 0 FFAEMN Cc1nc(CN2CCC(C(=O)N3CCCC[C@H]3c3nnc[nH]3)CC2)cs1 ZINC000181391359 510386995 /nfs/dbraw/zinc/38/69/95/510386995.db2.gz YZCJQPHTDBSUBO-INIZCTEOSA-N 0 1 374.514 2.535 10 0 FFAEMN Cc1nc(Cl)ccc1NC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000194611799 510443557 /nfs/dbraw/zinc/44/35/57/510443557.db2.gz JXOXGHBGTNKHQL-LBPRGKRZSA-N 0 1 352.866 2.760 10 0 FFAEMN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CSCc1cn2cc(C)ccc2n1 ZINC000175032076 510448527 /nfs/dbraw/zinc/44/85/27/510448527.db2.gz SPLVQRGFTSPDTQ-QZTJIDSGSA-N 0 1 372.538 2.961 10 0 FFAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)NC1Cc2ccccc2C1 ZINC000184732035 510489947 /nfs/dbraw/zinc/48/99/47/510489947.db2.gz MJWWGBUQXBGDBQ-IERDGZPVSA-N 0 1 364.493 2.759 10 0 FFAEMN CC[C@@H]1CN(C(=O)NCc2ccc(C(F)(F)F)cc2)CCN1C[C@@H](C)O ZINC000184764171 510505605 /nfs/dbraw/zinc/50/56/05/510505605.db2.gz FRONIKCKURXRLR-CZUORRHYSA-N 0 1 373.419 2.692 10 0 FFAEMN CCOC(=O)[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(Cl)cc1 ZINC000194763076 510516789 /nfs/dbraw/zinc/51/67/89/510516789.db2.gz JZBFVLJUZFEWLT-HNNXBMFYSA-N 0 1 358.785 2.646 10 0 FFAEMN CCn1c(C)nnc1CNC(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000181663813 510528107 /nfs/dbraw/zinc/52/81/07/510528107.db2.gz WVFQVLKCWXJDTO-UHFFFAOYSA-N 0 1 357.380 2.967 10 0 FFAEMN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)Nc2nc(-c3ccco3)n[nH]2)C1 ZINC000175225553 510541378 /nfs/dbraw/zinc/54/13/78/510541378.db2.gz IXOCHXCNLCYMPH-MNOVXSKESA-N 0 1 361.402 2.697 10 0 FFAEMN Cc1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1OC(C)C ZINC000246564605 510558967 /nfs/dbraw/zinc/55/89/67/510558967.db2.gz WYISXWPSOMWLOF-WBVHZDCISA-N 0 1 361.486 2.566 10 0 FFAEMN CCC[C@H](C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1)N(C)C ZINC000184931233 510591207 /nfs/dbraw/zinc/59/12/07/510591207.db2.gz RHXCAIQVZGPVNN-QGZVFWFLSA-N 0 1 353.894 2.841 10 0 FFAEMN Cc1ccccc1CN(C)C(=O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188124227 510607032 /nfs/dbraw/zinc/60/70/32/510607032.db2.gz ZICHPJGEUAWWSO-OALUTQOASA-N 0 1 358.507 2.723 10 0 FFAEMN CCO[C@@H]1C[C@@H](N[C@H](C(=O)NC2CC2)c2ccccc2)C12CCOCC2 ZINC000185004183 510628866 /nfs/dbraw/zinc/62/88/66/510628866.db2.gz WRQXMYJVKGVDSS-QRVBRYPASA-N 0 1 358.482 2.570 10 0 FFAEMN CC[C@@H]1CN([C@H](C)c2nc(Cc3ccccc3)no2)CCN1CCOC ZINC000246792621 510677354 /nfs/dbraw/zinc/67/73/54/510677354.db2.gz PEIPDAXEACJUSA-SJLPKXTDSA-N 0 1 358.486 2.764 10 0 FFAEMN Cn1cc([C@H]2CCN(C[C@@H](O)c3cccc(Br)c3)C2)cn1 ZINC000246824208 510694869 /nfs/dbraw/zinc/69/48/69/510694869.db2.gz CCNXMORIENCHMV-XJKSGUPXSA-N 0 1 350.260 2.706 10 0 FFAEMN COc1cccc(CN(C)C(=O)CN2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000246843223 510705500 /nfs/dbraw/zinc/70/55/00/510705500.db2.gz ZVJNNEGUFIQYAG-PKOBYXMFSA-N 0 1 372.465 2.835 10 0 FFAEMN O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1[nH]nc2c1CNCC2 ZINC000188350570 510723418 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CCOCC[N@H+]1CCN(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)C[C@H]1CC ZINC000246981021 510781015 /nfs/dbraw/zinc/78/10/15/510781015.db2.gz FMMGCTZZPJSBRR-HZPDHXFCSA-N 0 1 373.501 2.766 10 0 FFAEMN CCOCCN1CCN(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)C[C@H]1CC ZINC000246981021 510781018 /nfs/dbraw/zinc/78/10/18/510781018.db2.gz FMMGCTZZPJSBRR-HZPDHXFCSA-N 0 1 373.501 2.766 10 0 FFAEMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000195319578 510781505 /nfs/dbraw/zinc/78/15/05/510781505.db2.gz TWHAAJZDSCRRKZ-INIZCTEOSA-N 0 1 371.510 2.613 10 0 FFAEMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000195319578 510781507 /nfs/dbraw/zinc/78/15/07/510781507.db2.gz TWHAAJZDSCRRKZ-INIZCTEOSA-N 0 1 371.510 2.613 10 0 FFAEMN COc1cc(C)cc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)c1O ZINC000247019351 510802682 /nfs/dbraw/zinc/80/26/82/510802682.db2.gz MTZWFRQICHLLEJ-QAPCUYQASA-N 0 1 369.465 2.745 10 0 FFAEMN CC[C@@H]1CN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)CCN1C[C@H](C)O ZINC000247022668 510804721 /nfs/dbraw/zinc/80/47/21/510804721.db2.gz WVLCEYFXLGGTDD-WMLDXEAASA-N 0 1 359.445 2.738 10 0 FFAEMN C[C@@H](NCC(=O)N([C@H](C)C1CC1)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000182193498 510806944 /nfs/dbraw/zinc/80/69/44/510806944.db2.gz OZXUBMGSBQEUEW-ZIAGYGMSSA-N 0 1 364.511 2.530 10 0 FFAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)NCCc1ccc(F)cc1 ZINC000247058253 510820326 /nfs/dbraw/zinc/82/03/26/510820326.db2.gz PAQGCBZHOSGGSK-OXQOHEQNSA-N 0 1 370.472 2.973 10 0 FFAEMN O=C(CN1CCCCC[C@@H]1C[C@H](O)c1cccs1)NC[C@H]1CCCO1 ZINC000247066218 510824481 /nfs/dbraw/zinc/82/44/81/510824481.db2.gz PNYQNXJHRYWMTR-ZACQAIPSSA-N 0 1 366.527 2.711 10 0 FFAEMN CC[C@H]1CN(C(=O)Nc2cccc(Br)c2)CCN1C[C@H](C)O ZINC000247131327 510841852 /nfs/dbraw/zinc/84/18/52/510841852.db2.gz SIWOHTBLZZOGLA-WFASDCNBSA-N 0 1 370.291 2.758 10 0 FFAEMN CS(=O)(=O)c1ccc([C@H](O)CN2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000247137367 510842975 /nfs/dbraw/zinc/84/29/75/510842975.db2.gz ZOPMNIAOCZJUHC-FXAWDEMLSA-N 0 1 359.491 2.688 10 0 FFAEMN 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Cc1nccn1C[C@H]1CCCN1CCCS(=O)(=O)c1cccc(C)c1 ZINC000155312925 508974671 /nfs/dbraw/zinc/97/46/71/508974671.db2.gz KYTCKKMITGQIAW-GOSISDBHSA-N 0 1 361.511 2.828 10 0 FFAEMN CN(C)C[C@H](NC(=O)NCC[S@](=O)Cc1ccccc1)c1ccccc1 ZINC000120400157 508988018 /nfs/dbraw/zinc/98/80/18/508988018.db2.gz KJGGTQAPGVZNOD-AFMDSPMNSA-N 0 1 373.522 2.537 10 0 FFAEMN COc1ccc(C)cc1NC(=O)CNC(=O)CN[C@@H](C)c1ccccc1C ZINC000120491349 509007820 /nfs/dbraw/zinc/00/78/20/509007820.db2.gz LHSKHEWYCVVLTQ-INIZCTEOSA-N 0 1 369.465 2.718 10 0 FFAEMN Cc1cccn2c(=O)cc(CN[C@H](C)c3ccc4c(c3)OCCO4)nc12 ZINC000120630550 509034889 /nfs/dbraw/zinc/03/48/89/509034889.db2.gz QHZLJCGYVRNYBM-CQSZACIVSA-N 0 1 351.406 2.625 10 0 FFAEMN Cc1cc(F)ccc1CCNC(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000132653701 509057461 /nfs/dbraw/zinc/05/74/61/509057461.db2.gz VJRHGYMESXEBEE-MRXNPFEDSA-N 0 1 363.477 2.571 10 0 FFAEMN CCOCCN1CCN(Cc2ccc(OC)c(OC(F)F)c2)C[C@@H]1C ZINC000120885805 509083165 /nfs/dbraw/zinc/08/31/65/509083165.db2.gz QMPUPGPNGWPRJV-AWEZNQCLSA-N 0 1 358.429 2.839 10 0 FFAEMN COc1ccc(C(C)(C)C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)cc1 ZINC000120904474 509086246 /nfs/dbraw/zinc/08/62/46/509086246.db2.gz OHNNROMJMWVIMZ-MRXNPFEDSA-N 0 1 360.498 2.685 10 0 FFAEMN COc1ccc(-c2noc([C@@H](C)N3CCC[C@H](Cn4cncn4)C3)n2)cc1 ZINC000152091344 509143721 /nfs/dbraw/zinc/14/37/21/509143721.db2.gz GVHQXIYUQOUYSJ-CABCVRRESA-N 0 1 368.441 2.810 10 0 FFAEMN CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2CC[C@H](C)O2)CC1 ZINC000127115654 509168117 /nfs/dbraw/zinc/16/81/17/509168117.db2.gz ZDGFGRAUSYAUIX-SUMWQHHRSA-N 0 1 351.878 2.988 10 0 FFAEMN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3ccccc3N(C)C)C2=O)n(C)n1 ZINC000182336129 509181494 /nfs/dbraw/zinc/18/14/94/509181494.db2.gz KEVANTJQOAHFMR-DOTOQJQBSA-N 0 1 355.486 2.641 10 0 FFAEMN CC[C@@H]1CN(C(=O)[C@@H](C)c2cn(C)c3ccccc23)CCN1CCOC ZINC000185450964 509183735 /nfs/dbraw/zinc/18/37/35/509183735.db2.gz JTFSUOXFCKKLJE-DLBZAZTESA-N 0 1 357.498 2.851 10 0 FFAEMN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000178929808 509188635 /nfs/dbraw/zinc/18/86/35/509188635.db2.gz ZEVLMFDZURUYAQ-JKSUJKDBSA-N 0 1 353.422 2.706 10 0 FFAEMN CCn1cc(C2CCN([C@@H](C)C(=O)NC(=O)Nc3ccccc3)CC2)cn1 ZINC000195513137 509203735 /nfs/dbraw/zinc/20/37/35/509203735.db2.gz HXHMNWLHWUHFQC-HNNXBMFYSA-N 0 1 369.469 2.819 10 0 FFAEMN C[C@H](OCCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2C1)c1ccccc1 ZINC000247968030 509203703 /nfs/dbraw/zinc/20/37/03/509203703.db2.gz HAGWJSYVBIVCAB-RCZSKKKRSA-N 0 1 374.525 2.898 10 0 FFAEMN Cc1nc([C@H]2CN(Cc3csc(CCc4ccccc4)n3)CCO2)n[nH]1 ZINC000175910494 509212347 /nfs/dbraw/zinc/21/23/47/509212347.db2.gz GVFMMCUOWMFYFX-QGZVFWFLSA-N 0 1 369.494 2.928 10 0 FFAEMN Cc1nc([C@H](NC(=O)N[C@@H](C)Cc2c(C)noc2C)c2ccccc2)n[nH]1 ZINC000162420438 509220785 /nfs/dbraw/zinc/22/07/85/509220785.db2.gz ZLCJZOHEVHFNFL-APPDUMDISA-N 0 1 368.441 2.738 10 0 FFAEMN CN1CC[C@H](NC(=O)C2(NC(=O)OC(C)(C)C)CC2)[C@@H]1c1ccccc1 ZINC000248071789 509230819 /nfs/dbraw/zinc/23/08/19/509230819.db2.gz QPUCMUZCCLOEFC-HOTGVXAUSA-N 0 1 359.470 2.605 10 0 FFAEMN CN(CCNC(=O)N1CCC(c2cc[nH]n2)CC1)Cc1ccc(F)cc1 ZINC000175947474 509231500 /nfs/dbraw/zinc/23/15/00/509231500.db2.gz XBKRDGWMGAAXNP-UHFFFAOYSA-N 0 1 359.449 2.570 10 0 FFAEMN C[C@H](O)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000248126293 509240816 /nfs/dbraw/zinc/24/08/16/509240816.db2.gz VOXITHGDDJVHSC-BEVDRBHNSA-N 0 1 353.466 2.985 10 0 FFAEMN COc1cc(Cl)c(C)cc1NC(=O)CN1CCN2CCCC[C@@H]2C1 ZINC000172800962 509243359 /nfs/dbraw/zinc/24/33/59/509243359.db2.gz BRQSNJYUQYFSBN-CQSZACIVSA-N 0 1 351.878 2.766 10 0 FFAEMN Cc1nn2c(nc(C)cc2C)c1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248133098 509243799 /nfs/dbraw/zinc/24/37/99/509243799.db2.gz WWHIZLLAJMQPDJ-MJGOQNOKSA-N 0 1 363.465 2.830 10 0 FFAEMN C[C@@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)c(Cl)c1 ZINC000175984144 509255905 /nfs/dbraw/zinc/25/59/05/509255905.db2.gz TVJSLEBGLKCWLD-ZIAGYGMSSA-N 0 1 369.868 2.904 10 0 FFAEMN Cc1cccc2nc(CCC(=O)N3CSC[C@H]3C(=O)NC(C)(C)C)[nH]c21 ZINC000176022673 509278419 /nfs/dbraw/zinc/27/84/19/509278419.db2.gz XXYNBEQDLLCFAV-AWEZNQCLSA-N 0 1 374.510 2.620 10 0 FFAEMN O=S(=O)(Nc1nc2ccccc2nc1Cl)c1cnn(C(F)F)c1 ZINC000219799272 509292460 /nfs/dbraw/zinc/29/24/60/509292460.db2.gz VCFNSEMKJYURTG-UHFFFAOYSA-N 0 1 359.745 2.676 10 0 FFAEMN COc1ccc(/C=C/C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1O ZINC000248406330 509301271 /nfs/dbraw/zinc/30/12/71/509301271.db2.gz BVVSRFUFZLEQOW-INXVHJKPSA-N 0 1 374.481 2.514 10 0 FFAEMN C[C@H]1CN(C2CCN(Cc3nc(-c4ccccc4F)no3)CC2)CCO1 ZINC000188974318 509349538 /nfs/dbraw/zinc/34/95/38/509349538.db2.gz IOBMBJSZYWQXJT-AWEZNQCLSA-N 0 1 360.433 2.561 10 0 FFAEMN CCn1cc(C2CCN(C(=O)c3ccc(-c4nnc[nH]4)cc3)CC2)cn1 ZINC000185799522 509360373 /nfs/dbraw/zinc/36/03/73/509360373.db2.gz IHBLJALSECYDKQ-UHFFFAOYSA-N 0 1 350.426 2.708 10 0 FFAEMN CN(Cc1ccc(Cl)s1)C(=O)CN1CCCC[C@H]1c1nnc[nH]1 ZINC000182678313 509366155 /nfs/dbraw/zinc/36/61/55/509366155.db2.gz BETVDMQSRMDLRB-LBPRGKRZSA-N 0 1 353.879 2.705 10 0 FFAEMN COc1ccc([C@H](NC(=O)CN2CCCC[C@@H]2c2nnc[nH]2)C2CC2)cc1 ZINC000182677502 509366863 /nfs/dbraw/zinc/36/68/63/509366863.db2.gz QCPBANCWXJMGJR-IEBWSBKVSA-N 0 1 369.469 2.608 10 0 FFAEMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)c2sccc2-n2cccc2)CC1 ZINC000192145391 509370967 /nfs/dbraw/zinc/37/09/67/509370967.db2.gz ICHZUPVXJCUMFJ-CQSZACIVSA-N 0 1 361.467 2.550 10 0 FFAEMN O=C1CC[C@@H]2CN(C[C@H](O)c3ccc(F)cc3Cl)CC[C@@H]2N1C1CC1 ZINC000248569684 509371174 /nfs/dbraw/zinc/37/11/74/509371174.db2.gz QEVZKHCKKGHOOY-UUWFMWQGSA-N 0 1 366.864 2.988 10 0 FFAEMN C[C@H](Oc1cccc(C=O)c1)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179335886 509382478 /nfs/dbraw/zinc/38/24/78/509382478.db2.gz WWGZMXWGLLFOIW-BBRMVZONSA-N 0 1 368.437 2.668 10 0 FFAEMN O[C@H](Cc1ccccc1C(F)(F)F)CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000182708323 509385698 /nfs/dbraw/zinc/38/56/98/509385698.db2.gz BQUIOANWYIGKIW-UKRRQHHQSA-N 0 1 354.376 2.954 10 0 FFAEMN Cc1[nH]c(C(=O)N2CCCC[C@H]2c2nnc[nH]2)c(C)c1C(=O)OC(C)C ZINC000179346805 509391380 /nfs/dbraw/zinc/39/13/80/509391380.db2.gz UGDRBVYOPMERCQ-ZDUSSCGKSA-N 0 1 359.430 2.682 10 0 FFAEMN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000179351417 509394268 /nfs/dbraw/zinc/39/42/68/509394268.db2.gz NPNABSUAALOHPC-GOSISDBHSA-N 0 1 364.453 2.904 10 0 FFAEMN C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn(-c3ccc(F)cc3F)n2)C1 ZINC000248618014 509394786 /nfs/dbraw/zinc/39/47/86/509394786.db2.gz BCOFMCBSWSIVEE-GUYCJALGSA-N 0 1 360.408 2.707 10 0 FFAEMN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000179383570 509413057 /nfs/dbraw/zinc/41/30/57/509413057.db2.gz XCFAFYQUERJGBY-MAUKXSAKSA-N 0 1 371.485 2.777 10 0 FFAEMN Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000176319790 509443401 /nfs/dbraw/zinc/44/34/01/509443401.db2.gz FTLYYEXFSZSOIU-INIZCTEOSA-N 0 1 369.400 2.527 10 0 FFAEMN Cc1cccc2[nH]c(CCC(=O)N3CCC(N4CCO[C@H](C)C4)CC3)nc21 ZINC000176343961 509455718 /nfs/dbraw/zinc/45/57/18/509455718.db2.gz DDGOSBUITROLSS-MRXNPFEDSA-N 0 1 370.497 2.516 10 0 FFAEMN COC(=O)C1CCC(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)CC1 ZINC000179488293 509473346 /nfs/dbraw/zinc/47/33/46/509473346.db2.gz GQYGZUGISOJPFG-JCYILVPMSA-N 0 1 362.470 2.821 10 0 FFAEMN CC(C)c1cnc(NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)s1 ZINC000192389982 509498749 /nfs/dbraw/zinc/49/87/49/509498749.db2.gz DIBZUDFYNKXHLM-INIZCTEOSA-N 0 1 374.510 2.807 10 0 FFAEMN CCc1nc([C@H]2CN(C(=O)N[C@H]3CCCc4ccc(C)cc43)CCO2)n[nH]1 ZINC000179571586 509519424 /nfs/dbraw/zinc/51/94/24/509519424.db2.gz ISGQMZOOKCKHLF-DLBZAZTESA-N 0 1 369.469 2.836 10 0 FFAEMN CC(C)c1cnc(NC(=O)C(=O)N[C@H](CN(C)C)c2ccccc2)s1 ZINC000192449481 509523424 /nfs/dbraw/zinc/52/34/24/509523424.db2.gz OVKDUMBXCFENMH-CQSZACIVSA-N 0 1 360.483 2.624 10 0 FFAEMN CC[C@H]1CN(Cc2nc3ccccc3n2C(F)F)CCN1CCOC ZINC000173335020 509538622 /nfs/dbraw/zinc/53/86/22/509538622.db2.gz SSCFIMYUYNAHMX-AWEZNQCLSA-N 0 1 352.429 2.974 10 0 FFAEMN CCOC1CC(CCNC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000248965815 509556784 /nfs/dbraw/zinc/55/67/84/509556784.db2.gz QUTGHEYZRDJAGW-OQUMVOOASA-N 0 1 374.529 2.796 10 0 FFAEMN CCOC1CC(CCNC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000248965817 509557773 /nfs/dbraw/zinc/55/77/73/509557773.db2.gz QUTGHEYZRDJAGW-OYGLOCFBSA-N 0 1 374.529 2.796 10 0 FFAEMN CCN(CC)[C@H](C(=O)N1C[C@@H](OC)C[C@H]1c1nc(C)no1)c1ccccc1 ZINC000248975208 509560507 /nfs/dbraw/zinc/56/05/07/509560507.db2.gz QQWARRNXGYJHMD-BZSNNMDCSA-N 0 1 372.469 2.750 10 0 FFAEMN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000176539389 509571234 /nfs/dbraw/zinc/57/12/34/509571234.db2.gz PTSFIEFJPOKVEB-LBPRGKRZSA-N 0 1 369.400 2.571 10 0 FFAEMN CC[C@@H]1CN([C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CCN1CCOC ZINC000249055418 509585099 /nfs/dbraw/zinc/58/50/99/509585099.db2.gz ITDPODNNLHPQNS-UXHICEINSA-N 0 1 373.541 2.760 10 0 FFAEMN CC[C@@H]1CN(C(=O)N[C@@H](C)c2cccc(F)c2F)CCN1CCOC ZINC000165840853 509585556 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COCc1nc(C)c(-c2nc([C@H]3CN4CCC[C@@]4(C)CO3)no2)s1 ZINC000329585726 258142231 /nfs/dbraw/zinc/14/22/31/258142231.db2.gz MGVCGZFMFSDHRA-BZNIZROVSA-N 0 1 350.444 2.574 10 0 FFAEMN CCO[C@H](C)c1ncc(-c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)s1 ZINC000329735427 258146219 /nfs/dbraw/zinc/14/62/19/258146219.db2.gz RYQZGWKDVZGAGK-UTUOFQBUSA-N 0 1 350.444 2.826 10 0 FFAEMN CCO[C@H](C)c1ncc(-c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)s1 ZINC000329735428 258146237 /nfs/dbraw/zinc/14/62/37/258146237.db2.gz RYQZGWKDVZGAGK-WOPDTQHZSA-N 0 1 350.444 2.826 10 0 FFAEMN Cc1[nH+]c(N2CCc3ccccc3C2)nc(N2CCC[C@@H]2C(=O)[O-])c1C ZINC000045947613 132375439 /nfs/dbraw/zinc/37/54/39/132375439.db2.gz KIGZDNZNGVVHHL-QGZVFWFLSA-N 0 1 352.438 2.710 10 0 FFAEMN CCN1CCN(c2ncnc(Nc3cccc4nc(C)ccc43)c2N)CC1 ZINC000040726873 136120404 /nfs/dbraw/zinc/12/04/04/136120404.db2.gz WZGNOHIFFKPUDR-UHFFFAOYSA-N 0 1 363.469 2.801 10 0 FFAEMN Cc1nc([C@H]2CCCCN2C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)n[nH]1 ZINC000370950074 512149488 /nfs/dbraw/zinc/14/94/88/512149488.db2.gz IKVFPRQMOQGRLA-IINYFYTJSA-N 0 1 371.466 2.913 10 0 FFAEMN Cc1cccc(C(=O)N(CCC(=O)N2CCNCC2)C2CCCCC2)c1 ZINC000035421923 506384270 /nfs/dbraw/zinc/38/42/70/506384270.db2.gz KYILSQNDUGJYHB-UHFFFAOYSA-N 0 1 357.498 2.592 10 0 FFAEMN COc1ccc2c(c1)O[C@H](C)CN(C(=O)c1cc(C(F)(F)F)[nH]n1)C2 ZINC000011910110 506802965 /nfs/dbraw/zinc/80/29/65/506802965.db2.gz UVHAMRCHVPXOOP-SECBINFHSA-N 0 1 355.316 2.860 10 0 FFAEMN CCn1cc([C@@H]2C[C@H]3CN(c4cccc(OC)c4)C(=O)[C@]34CCCN24)cn1 ZINC000012591749 506882275 /nfs/dbraw/zinc/88/22/75/506882275.db2.gz NYUBVMHQWYFAGM-LRQRDZAKSA-N 0 1 366.465 2.854 10 0 FFAEMN CC[C@@H](NC(=O)N1CCC(CN2CCOCC2)CC1)c1cccs1 ZINC000057242985 507216878 /nfs/dbraw/zinc/21/68/78/507216878.db2.gz DEKYEYADUQXUOI-MRXNPFEDSA-N 0 1 351.516 2.953 10 0 FFAEMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3C[C@@H](C)O[C@H](C)C3)c2C1 ZINC000069928520 507584665 /nfs/dbraw/zinc/58/46/65/507584665.db2.gz PZJJZMCCPIUEDQ-OAGGEKHMSA-N 0 1 373.497 2.621 10 0 FFAEMN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000070702099 507623056 /nfs/dbraw/zinc/62/30/56/507623056.db2.gz RBMBPFGJJNWXGQ-WBVHZDCISA-N 0 1 370.453 2.743 10 0 FFAEMN CCCN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C[C@@H]1CCCCO1 ZINC000106866953 507825232 /nfs/dbraw/zinc/82/52/32/507825232.db2.gz VJBYAERZYSWRHC-SFHVURJKSA-N 0 1 361.486 2.608 10 0 FFAEMN CCCN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C[C@H]1CCCCO1 ZINC000106866955 507825267 /nfs/dbraw/zinc/82/52/67/507825267.db2.gz VJBYAERZYSWRHC-GOSISDBHSA-N 0 1 361.486 2.608 10 0 FFAEMN COC(=O)CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)N(C)C)cc1 ZINC000106913178 507828304 /nfs/dbraw/zinc/82/83/04/507828304.db2.gz NVAVSQHROGUUEN-LJQANCHMSA-N 0 1 370.449 2.740 10 0 FFAEMN CCOC(=O)C1CCN(C(=O)[C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000072879292 507868349 /nfs/dbraw/zinc/86/83/49/507868349.db2.gz WTUWDQKNHKQTQZ-QWHCGFSZSA-N 0 1 368.424 2.806 10 0 FFAEMN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4c[nH]nc43)C2)n1 ZINC000108866488 507922640 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CCO[C@@H](CCNC(=O)N[C@@H](c1n[nH]c(C)n1)c1ccccc1)C(C)C ZINC000080715538 508096939 /nfs/dbraw/zinc/09/69/39/508096939.db2.gz ZEVSKZHGABGVPY-DLBZAZTESA-N 0 1 359.474 2.953 10 0 FFAEMN O=C1CCCN1C[C@@H](O)CN(Cc1cccs1)Cc1cccs1 ZINC000111681778 508116035 /nfs/dbraw/zinc/11/60/35/508116035.db2.gz YEXOQLJDAUZPIO-AWEZNQCLSA-N 0 1 350.509 2.795 10 0 FFAEMN Cc1cnn([C@H]2CCCN(C(=O)NCCN3CCc4ccccc4C3)C2)c1 ZINC000111816872 508125997 /nfs/dbraw/zinc/12/59/97/508125997.db2.gz BVNLRMYCLXUPHB-FQEVSTJZSA-N 0 1 367.497 2.596 10 0 FFAEMN CC(C)c1ccc([C@H](C)NCC(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1 ZINC000076574549 508226673 /nfs/dbraw/zinc/22/66/73/508226673.db2.gz CLRPXPREBHEZJE-IRXDYDNUSA-N 0 1 359.514 2.978 10 0 FFAEMN CCOCCN1CCN([C@@H](C)c2nc(-c3cccnc3)no2)C[C@@H]1CC ZINC000112981181 508237107 /nfs/dbraw/zinc/23/71/07/508237107.db2.gz ZLJBKBHMPYHEAB-RDJZCZTQSA-N 0 1 359.474 2.625 10 0 FFAEMN CC(C)[C@H](C)NC(=O)C1CCN(CC(=O)N([C@@H](C)C2CC2)C2CC2)CC1 ZINC000101549423 508244829 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GRWINGBANPWSNM-HXUWFJFHSA-N 0 1 351.450 2.707 10 0 FFAEMN COc1ccc(CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C)c(OC)c1 ZINC000106433494 508400788 /nfs/dbraw/zinc/40/07/88/508400788.db2.gz ISOKQJXJXCBQLN-LJQANCHMSA-N 0 1 356.466 2.835 10 0 FFAEMN C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000106520239 508401454 /nfs/dbraw/zinc/40/14/54/508401454.db2.gz LXDHXLPPLQFNKS-KBXCAEBGSA-N 0 1 364.921 2.726 10 0 FFAEMN COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000106735242 508404012 /nfs/dbraw/zinc/40/40/12/508404012.db2.gz NLXIABRDTLNOCY-OALUTQOASA-N 0 1 366.465 2.584 10 0 FFAEMN COc1ccc2nc(N3CCCN(Cc4cnn(C)c4)CC3)ccc2c1 ZINC000115517311 508405249 /nfs/dbraw/zinc/40/52/49/508405249.db2.gz RBILEOIEZRRKAW-UHFFFAOYSA-N 0 1 351.454 2.689 10 0 FFAEMN COc1ccc2oc(CN3CCCN(Cc4noc(C)n4)CC3)cc2c1 ZINC000156633960 508454339 /nfs/dbraw/zinc/45/43/39/508454339.db2.gz UWOHSJBGBQBJSI-UHFFFAOYSA-N 0 1 356.426 2.841 10 0 FFAEMN CCOc1ccc(-c2nc(CN3C[C@H](C)[C@H](N4CCOCC4)C3)co2)cc1 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WYCSROLJSUDJGI-QXMHVHEDSA-N 0 1 360.435 2.810 10 0 FFAEMN CC[C@@H]1CN(C(=O)/C=C\c2nc3ccccc3s2)CCN1CCOC ZINC000255641038 729644791 /nfs/dbraw/zinc/64/47/91/729644791.db2.gz WAGYNKHVEWUTTJ-WHLNPGIBSA-N 0 1 359.495 2.879 10 0 FFAEMN Cc1sc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1C(=O)[O-] ZINC000386525357 729837086 /nfs/dbraw/zinc/83/70/86/729837086.db2.gz OGZQHCYEKQWAIN-HRCADAONSA-N 0 1 357.479 2.894 10 0 FFAEMN CC(=O)N1C[C@@H](NCc2nc3ccccc3n2C)CC[C@@H]1C(F)(F)F ZINC000886036586 733742271 /nfs/dbraw/zinc/74/22/71/733742271.db2.gz YSBWVGWPXCRCGN-SWLSCSKDSA-N 0 1 354.376 2.605 10 0 FFAEMN O=C(c1cc(Cl)cc(Br)c1)N1CCC[C@H]1c1nn[nH]n1 ZINC000720643589 734379633 /nfs/dbraw/zinc/37/96/33/734379633.db2.gz UXPBLZIJCGCSOD-JTQLQIEISA-N 0 1 356.611 2.593 10 0 FFAEMN O=C(c1ccc(Cl)c(Br)c1)N1CCC[C@H]1c1nn[nH]n1 ZINC000720643675 734379817 /nfs/dbraw/zinc/37/98/17/734379817.db2.gz WQSSUTCDOLNNLM-JTQLQIEISA-N 0 1 356.611 2.593 10 0 FFAEMN 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CCOC(=O)c1cnn(C)c1NC(=O)CN[C@@H](C)c1cccc(Cl)c1 ZINC000181413138 510397213 /nfs/dbraw/zinc/39/72/13/510397213.db2.gz CBMVTZXKGMJSHX-NSHDSACASA-N 0 1 364.833 2.540 10 0 FFAEMN CSC(C)(C)CNC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000175020529 510440549 /nfs/dbraw/zinc/44/05/49/510440549.db2.gz GNZUWTIJZWWFCI-ZBFHGGJFSA-N 0 1 350.532 2.733 10 0 FFAEMN C[C@@H]1CN(Cc2nn(-c3ccccc3)c3c2CCC3)C[C@H]1N1CCOCC1 ZINC000246443784 510491760 /nfs/dbraw/zinc/49/17/60/510491760.db2.gz MFUQFBGJXMBDAZ-VGOFRKELSA-N 0 1 366.509 2.514 10 0 FFAEMN C[C@@H](NC(=O)N1CCN2CCCC[C@H]2C1)c1ccc(N2CCOC2=O)cc1 ZINC000246454172 510497606 /nfs/dbraw/zinc/49/76/06/510497606.db2.gz PAVWEQVQQKQYSR-QAPCUYQASA-N 0 1 372.469 2.584 10 0 FFAEMN C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCC[C@@H]1c1ccco1 ZINC000172029736 510507176 /nfs/dbraw/zinc/50/71/76/510507176.db2.gz WGDUWMBNXUYTOZ-IAGOWNOFSA-N 0 1 354.454 2.549 10 0 FFAEMN COC(=O)[C@@H]1CCN(C(=O)c2cc(-c3ccc(C)cc3C)[nH]n2)C[C@H]1C ZINC000187979493 510531485 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