smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCCn2nc([C@H]3CCCN(Cc4ccncc4)C3)cc2C1=O ZINC000675006176 971480893 /nfs/dbraw/zinc/48/08/93/971480893.db2.gz PTHCJBYNRUHQEA-KRWDZBQOSA-N 0 3 353.470 2.524 50 0 FFAAHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccn(CC(F)F)n1 ZINC000194181367 965572104 /nfs/dbraw/zinc/57/21/04/965572104.db2.gz FZEDQGJUBHQHDB-OAHLLOKOSA-N 0 3 362.424 2.885 50 0 FFAAHN CC(C)N1CCC[C@@H](N2CCC(C(=O)N3CCc4ccccc43)CC2)C1=O ZINC000177691834 969303614 /nfs/dbraw/zinc/30/36/14/969303614.db2.gz QFVXJYFECDNQHW-HXUWFJFHSA-N 0 3 369.509 2.687 50 0 FFAAHN CCCNC(=O)N1CCC(N2C[C@H](OCCOC)C23CCCCC3)CC1 ZINC000169787034 984965656 /nfs/dbraw/zinc/96/56/56/984965656.db2.gz AVZKGDHOZGVDTI-SFHVURJKSA-N 0 3 367.534 2.621 50 0 FFAAHN O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CN1CCc2sccc2C1 ZINC000011840100 987496024 /nfs/dbraw/zinc/49/60/24/987496024.db2.gz WCVCZYNVUBIQCC-HXUWFJFHSA-N 0 3 374.481 2.799 50 0 FFAAHN CN(C)C[C@H](c1ccccc1)N(C)C(=O)c1ccccc1N1CCOCC1 ZINC000823680699 999069322 /nfs/dbraw/zinc/06/93/22/999069322.db2.gz WEEURCIZOBWBJR-OAQYLSRUSA-N 0 3 367.493 2.898 50 0 FFAAHN O=C(NCCN1CCCC[C@H]1CO)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000828710768 999579420 /nfs/dbraw/zinc/57/94/20/999579420.db2.gz CJUYSMYAOJMGSH-LBPRGKRZSA-N 0 3 363.355 2.813 50 0 FFAAHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccccc1OC(F)F ZINC000299801013 223104263 /nfs/dbraw/zinc/10/42/63/223104263.db2.gz UTEMZTIQHZQNIY-CQSZACIVSA-N 0 3 354.397 2.661 50 0 FFAAHN NC(=O)CCN(Cc1ccccc1)C(=O)CN1CCC[C@H]1c1ccccc1 ZINC000010340867 204395010 /nfs/dbraw/zinc/39/50/10/204395010.db2.gz IWZHALKNRBJJQH-FQEVSTJZSA-N 0 3 365.477 2.728 50 0 FFAAHN COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1Cl ZINC000010544062 204397721 /nfs/dbraw/zinc/39/77/21/204397721.db2.gz DDVDIJUTCFZIKD-ZIAGYGMSSA-N 0 3 374.934 2.995 50 0 FFAAHN CCN(CC)[C@H](CNC(=O)Cc1c(C)nn(C)c1C)c1cccc(OC)c1 ZINC000022700974 204785021 /nfs/dbraw/zinc/78/50/21/204785021.db2.gz LFUZGLWOVKGSSF-HXUWFJFHSA-N 0 3 372.513 2.787 50 0 FFAAHN COCCCN(Cc1cccn1C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036098191 205003606 /nfs/dbraw/zinc/00/36/06/205003606.db2.gz GXLHUULUNWMMPL-SFHVURJKSA-N 0 3 366.889 2.957 50 0 FFAAHN COCCN(Cc1cccc(OC)c1)C[C@H](O)COc1ccccc1C ZINC000036100151 205005251 /nfs/dbraw/zinc/00/52/51/205005251.db2.gz DKRSNBYKECLIGH-IBGZPJMESA-N 0 3 359.466 2.892 50 0 FFAAHN Cc1cc(C)n(-c2cccc(CN3CCN(C(C)C)[C@H](CCO)C3)c2)n1 ZINC000039394048 205043984 /nfs/dbraw/zinc/04/39/84/205043984.db2.gz LGKYVKJUBPRICP-OAQYLSRUSA-N 0 3 356.514 2.766 50 0 FFAAHN CC(C)[N@H+](C)CCCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000041684998 205091747 /nfs/dbraw/zinc/09/17/47/205091747.db2.gz YKKFFOTYNIGUTB-UHFFFAOYSA-N 0 3 369.350 2.909 50 0 FFAAHN CC(C)[N@@H+](C)CCCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000041684998 205091751 /nfs/dbraw/zinc/09/17/51/205091751.db2.gz YKKFFOTYNIGUTB-UHFFFAOYSA-N 0 3 369.350 2.909 50 0 FFAAHN CCN1CCC(NC(=O)NCCc2ccc(Br)s2)CC1 ZINC000047980370 205151316 /nfs/dbraw/zinc/15/13/16/205151316.db2.gz MELITYWEHCHQLL-UHFFFAOYSA-N 0 3 360.321 2.837 50 0 FFAAHN CC(C)(C)c1ccc([C@@H]2CCCN2CC(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000052042585 205183496 /nfs/dbraw/zinc/18/34/96/205183496.db2.gz XRZSEDSFLQKBLK-IBGZPJMESA-N 0 3 371.525 2.845 50 0 FFAAHN Cc1cc(C)cc(OCCN(C)C(=O)CC[C@H](C)N2CCN(C)CC2)c1 ZINC000055182632 205210236 /nfs/dbraw/zinc/21/02/36/205210236.db2.gz ZFLFBTDSENZEFT-IBGZPJMESA-N 0 3 361.530 2.557 50 0 FFAAHN O=C(NCc1ccc2c(c1)OCCCO2)[C@H]1CCCN(Cc2ccco2)C1 ZINC000055358253 205216272 /nfs/dbraw/zinc/21/62/72/205216272.db2.gz DHDKKHASFZUDDI-KRWDZBQOSA-N 0 3 370.449 2.969 50 0 FFAAHN CCN1CCN(Cc2ccccc2CNC(=O)NC[C@@H]2CC=CCC2)CC1 ZINC000058406561 205274317 /nfs/dbraw/zinc/27/43/17/205274317.db2.gz NZDFHOIAZCOSST-LJQANCHMSA-N 0 3 370.541 2.980 50 0 FFAAHN CCN1CCN(CCCNC(=O)c2cc3ccc(C)cc3nc2C)CC1 ZINC000058196837 205259178 /nfs/dbraw/zinc/25/91/78/205259178.db2.gz HVYORBZAAFDCQE-UHFFFAOYSA-N 0 3 354.498 2.609 50 0 FFAAHN COc1cc(CNC(=O)NCC2CCN(Cc3cccs3)CC2)ccn1 ZINC000058379273 205274667 /nfs/dbraw/zinc/27/46/67/205274667.db2.gz MWNOHUQPCJLBHL-UHFFFAOYSA-N 0 3 374.510 2.863 50 0 FFAAHN CN(C)CCN(Cc1ccccc1)C(=O)c1csc(-c2cnn(C)c2)n1 ZINC000058266781 205269119 /nfs/dbraw/zinc/26/91/19/205269119.db2.gz HFHQJYZXFISKCI-UHFFFAOYSA-N 0 3 369.494 2.748 50 0 FFAAHN CCC(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000058323490 205271939 /nfs/dbraw/zinc/27/19/39/205271939.db2.gz DHLSVSBQLBMIHP-UXHICEINSA-N 0 3 371.525 2.663 50 0 FFAAHN COC(=O)c1cc(NC(=O)NCCN2CCC(C)CC2)c(F)cc1F ZINC000058007490 205247064 /nfs/dbraw/zinc/24/70/64/205247064.db2.gz OMRMUHVBZAUGFC-UHFFFAOYSA-N 0 3 355.385 2.605 50 0 FFAAHN CCn1c(CC2CCN(Cc3ccc([C@H]4CCCCO4)o3)CC2)n[nH]c1=O ZINC000065452439 205352118 /nfs/dbraw/zinc/35/21/18/205352118.db2.gz JGOJQRQKKNKVOD-QGZVFWFLSA-N 0 3 374.485 2.881 50 0 FFAAHN O[C@@H]1CN(Cc2ccc(-n3cncn3)cc2)CC[C@H]1c1ccc(F)cc1 ZINC000065499530 205354791 /nfs/dbraw/zinc/35/47/91/205354791.db2.gz KIGWWJAMAZSHMR-VQTJNVASSA-N 0 3 352.413 2.757 50 0 FFAAHN Cc1cccc([C@@H](C(=O)NC2CCN(Cc3ccccn3)CC2)N(C)C)c1 ZINC000065372732 205341079 /nfs/dbraw/zinc/34/10/79/205341079.db2.gz SEKPIYVBNMYGIY-NRFANRHFSA-N 0 3 366.509 2.774 50 0 FFAAHN C[C@@H](Cn1cnc2ccccc2c1=O)NCc1ccc2nsnc2c1 ZINC000067856085 205397641 /nfs/dbraw/zinc/39/76/41/205397641.db2.gz UXDIOQNUXKGTAZ-LBPRGKRZSA-N 0 3 351.435 2.580 50 0 FFAAHN Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(CCN2CCCC2)CCO3)n1 ZINC000067879418 205399266 /nfs/dbraw/zinc/39/92/66/205399266.db2.gz RQFAFULLULSGMN-UHFFFAOYSA-N 0 3 368.481 2.756 50 0 FFAAHN COc1cc(F)c(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)c(F)c1 ZINC000072428838 205544885 /nfs/dbraw/zinc/54/48/85/205544885.db2.gz QZIVYVRYYFHAOU-CYBMUJFWSA-N 0 3 368.424 2.546 50 0 FFAAHN O[C@H]1CN(Cc2ccccc2)CCN(Cc2ccc(OC(F)F)cc2)C1 ZINC000108270386 206030148 /nfs/dbraw/zinc/03/01/48/206030148.db2.gz LPZSJYXNZOCMFN-SFHVURJKSA-N 0 3 362.420 2.967 50 0 FFAAHN CC(C)CCN1CCN(Cc2cc(F)ccc2-n2cccn2)C[C@H]1CCO ZINC000104401809 206238414 /nfs/dbraw/zinc/23/84/14/206238414.db2.gz LXPXTBOHLZRVSA-HXUWFJFHSA-N 0 3 374.504 2.926 50 0 FFAAHN COc1ccc([C@@H](CNC(=O)[C@H]2CCCN2C2CC2)N2CCCC2)cc1 ZINC000170615862 206274741 /nfs/dbraw/zinc/27/47/41/206274741.db2.gz SHONEQSPXYKUKV-WOJBJXKFSA-N 0 3 357.498 2.575 50 0 FFAAHN O=C(Cc1c[nH]c2ccccc12)N1CCCO[C@H](CN2CCCCC2)C1 ZINC000216396620 206358075 /nfs/dbraw/zinc/35/80/75/206358075.db2.gz CLYFIEOJKRIANU-GOSISDBHSA-N 0 3 355.482 2.814 50 0 FFAAHN CC[C@H](C)Sc1ncc(CN2CCN(C3CCOCC3)CC2)cn1 ZINC000216204545 206356632 /nfs/dbraw/zinc/35/66/32/206356632.db2.gz ZCRCLQJVDHUMGX-HNNXBMFYSA-N 0 3 350.532 2.664 50 0 FFAAHN Cc1ccc(CNC(=O)CC[C@@H](C)N2CCN(C)CC2)c2cccnc12 ZINC000218882495 206374390 /nfs/dbraw/zinc/37/43/90/206374390.db2.gz WVKOJSAHXRELFT-QGZVFWFLSA-N 0 3 354.498 2.576 50 0 FFAAHN Cc1ccccc1OCC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000023016085 206397945 /nfs/dbraw/zinc/39/79/45/206397945.db2.gz YPJTZLMZUNHPSV-UHFFFAOYSA-N 0 3 353.466 2.797 50 0 FFAAHN CC(C)(C)OC(=O)NCCCN1CCC(NC(=O)c2ccsc2)CC1 ZINC000239619627 206545252 /nfs/dbraw/zinc/54/52/52/206545252.db2.gz BFXLFNOKRAQMKJ-UHFFFAOYSA-N 0 3 367.515 2.857 50 0 FFAAHN CN1CCC(Oc2ccc(NC(=O)c3noc4c3CCCC4)cn2)CC1 ZINC000153038145 251093753 /nfs/dbraw/zinc/09/37/53/251093753.db2.gz BNGAOCPBUJXWPH-UHFFFAOYSA-N 0 3 356.426 2.674 50 0 FFAAHN Cc1cccc2cc(CO)c(N3CCN(C4CCCC4)[C@@H](CCO)C3)nc12 ZINC000106964188 132240709 /nfs/dbraw/zinc/24/07/09/132240709.db2.gz FHYYTMMKFKMMND-FQEVSTJZSA-N 0 3 369.509 2.851 50 0 FFAAHN CCOCCN(C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000170608678 132264937 /nfs/dbraw/zinc/26/49/37/132264937.db2.gz XRMYYRXUCUUJFQ-UHFFFAOYSA-N 0 3 357.292 2.754 50 0 FFAAHN c1c2c(cc3nc(N4CCOCC4)c(CNC[C@H]4CCCO4)cc13)CCC2 ZINC000299795329 132300343 /nfs/dbraw/zinc/30/03/43/132300343.db2.gz LEGMJLQHHDSRGM-HXUWFJFHSA-N 0 3 367.493 2.829 50 0 FFAAHN O=C(NCCCN1CCc2ccccc2C1)[C@H]1CC(=O)Nc2ccccc21 ZINC000032400781 506249043 /nfs/dbraw/zinc/24/90/43/506249043.db2.gz VSHDTJYOKJTZOF-IBGZPJMESA-N 0 3 363.461 2.677 50 0 FFAAHN CN(C)[C@H](CNC(=O)CCCNC(=O)c1cccs1)c1ccccc1 ZINC000032716612 506281986 /nfs/dbraw/zinc/28/19/86/506281986.db2.gz YZUFAQSAHZHCAU-MRXNPFEDSA-N 0 3 359.495 2.677 50 0 FFAAHN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](C)N1CCCC1 ZINC000032824243 506300749 /nfs/dbraw/zinc/30/07/49/506300749.db2.gz BZGAHTUDNPUPLD-YOEHRIQHSA-N 0 3 365.905 2.695 50 0 FFAAHN CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(C)ccc1C)CC2 ZINC000011783531 506794576 /nfs/dbraw/zinc/79/45/76/506794576.db2.gz DOHQRESMDHGNIW-MRXNPFEDSA-N 0 3 369.513 2.616 50 0 FFAAHN CC(C)c1ccc(CN2CCC[C@](O)(CN3CCSCC3)C2=O)cc1 ZINC000011838883 506796377 /nfs/dbraw/zinc/79/63/77/506796377.db2.gz KTTZZGZDOFQPAB-FQEVSTJZSA-N 0 3 362.539 2.712 50 0 FFAAHN Cc1cc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)nn1C ZINC000012001631 506807779 /nfs/dbraw/zinc/80/77/79/506807779.db2.gz AWLYJKABPFHUFP-UHFFFAOYSA-N 0 3 372.488 2.894 50 0 FFAAHN CCc1c(C(=O)NCCN(CC)CC)c(=O)cc(C)n1Cc1ccc(C)o1 ZINC000012041130 506810425 /nfs/dbraw/zinc/81/04/25/506810425.db2.gz PWFFRDSUJONHPQ-UHFFFAOYSA-N 0 3 373.497 2.740 50 0 FFAAHN CN(Cc1ccccc1)C1(C(=O)NCCc2c[nH]cn2)Cc2ccccc2C1 ZINC000012302066 506845430 /nfs/dbraw/zinc/84/54/30/506845430.db2.gz MLUQHVRSKDRCQP-UHFFFAOYSA-N 0 3 374.488 2.738 50 0 FFAAHN CN(Cc1ccccc1)C1(C(=O)NCCc2cnc[nH]2)Cc2ccccc2C1 ZINC000012302066 506845439 /nfs/dbraw/zinc/84/54/39/506845439.db2.gz MLUQHVRSKDRCQP-UHFFFAOYSA-N 0 3 374.488 2.738 50 0 FFAAHN Cc1ccccc1N1CCN(c2ncccc2CNC[C@H]2CCOC2)CC1 ZINC000012304878 506847429 /nfs/dbraw/zinc/84/74/29/506847429.db2.gz ZGUJGEQCUGAQOV-LJQANCHMSA-N 0 3 366.509 2.843 50 0 FFAAHN CCCCc1ncc(CN2CCC[C@H](CNC(=O)c3cccnc3)C2)[nH]1 ZINC000012445740 506866713 /nfs/dbraw/zinc/86/67/13/506866713.db2.gz CVKUXRQFGAKLJD-MRXNPFEDSA-N 0 3 355.486 2.789 50 0 FFAAHN CC[C@H](C)c1ccc([C@@H](NCCS(=O)(=O)CCC(N)=O)C(C)C)cc1 ZINC000012612542 506884894 /nfs/dbraw/zinc/88/48/94/506884894.db2.gz AMFZUOBEUNSXHP-KXBFYZLASA-N 0 3 368.543 2.777 50 0 FFAAHN O=C1C[C@H](NCc2ccc3c(c2)OCCO3)CN1CCc1ccc(F)cc1 ZINC000012716068 506891981 /nfs/dbraw/zinc/89/19/81/506891981.db2.gz MNJOEFBODMZVCF-SFHVURJKSA-N 0 3 370.424 2.530 50 0 FFAAHN COc1cccc(CN2C(=O)N(CCC(C)C)C3(CCN(C)CC3)C2=O)c1 ZINC000014732583 506997580 /nfs/dbraw/zinc/99/75/80/506997580.db2.gz LDYLKTSEWODQMG-UHFFFAOYSA-N 0 3 373.497 2.970 50 0 FFAAHN CN(Cc1ccccc1)C1(C(=O)NCCn2cccn2)Cc2ccccc2C1 ZINC000014947986 507007076 /nfs/dbraw/zinc/00/70/76/507007076.db2.gz WIDUTJPAAPGJNO-UHFFFAOYSA-N 0 3 374.488 2.669 50 0 FFAAHN O=C1N(CC2CC2)CCC[C@]1(O)CNCc1ccc(C(F)(F)F)cc1 ZINC000015063516 507016395 /nfs/dbraw/zinc/01/63/95/507016395.db2.gz NOBQKGZPHAINLI-KRWDZBQOSA-N 0 3 356.388 2.559 50 0 FFAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)c2c[nH]nc2C)CC1 ZINC000015074614 507017917 /nfs/dbraw/zinc/01/79/17/507017917.db2.gz XZXOZTMOIBSGRA-UHFFFAOYSA-N 0 3 370.497 2.753 50 0 FFAAHN c1cnc(Oc2ccc(CN[C@@H]3CCCN(c4ncccn4)C3)cc2)nc1 ZINC000015074500 507018933 /nfs/dbraw/zinc/01/89/33/507018933.db2.gz GFUIHSDMNJEKOZ-QGZVFWFLSA-N 0 3 362.437 2.818 50 0 FFAAHN O=C(NCCN1CCCCCC1)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21 ZINC000015784634 507059285 /nfs/dbraw/zinc/05/92/85/507059285.db2.gz JEMYLTVJTAYCOW-IBGZPJMESA-N 0 3 370.497 2.603 50 0 FFAAHN CN1CCC2(CC1)CN(C(=O)CCCC(=O)c1ccccc1)CCCN2C ZINC000067955926 507067600 /nfs/dbraw/zinc/06/76/00/507067600.db2.gz KGELMMZOWCJYHB-UHFFFAOYSA-N 0 3 371.525 2.668 50 0 FFAAHN Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c(C)c1 ZINC000019222869 507160696 /nfs/dbraw/zinc/16/06/96/507160696.db2.gz ZRVQFZDLSRGTJB-QGZVFWFLSA-N 0 3 369.513 2.786 50 0 FFAAHN O=C(CN1c2ccccc2CCCC1=O)N1CCN(C2CCCCC2)CC1 ZINC000021870748 507270572 /nfs/dbraw/zinc/27/05/72/507270572.db2.gz DSMFMZJGEVGPSI-UHFFFAOYSA-N 0 3 369.509 2.833 50 0 FFAAHN COCc1ccc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)o1 ZINC000023145799 507335123 /nfs/dbraw/zinc/33/51/23/507335123.db2.gz WDCVFPORFRCSKX-SFHVURJKSA-N 0 3 350.503 2.875 50 0 FFAAHN C[C@]1(CO)CCC[N@H+](Cc2ccccc2-c2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000023619978 507362787 /nfs/dbraw/zinc/36/27/87/507362787.db2.gz QADQDWOOQIWLIY-IBGZPJMESA-N 0 3 363.408 2.969 50 0 FFAAHN C[C@]1(CO)CCC[N@@H+](Cc2ccccc2-c2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000023619978 507362790 /nfs/dbraw/zinc/36/27/90/507362790.db2.gz QADQDWOOQIWLIY-IBGZPJMESA-N 0 3 363.408 2.969 50 0 FFAAHN Cc1nn(Cc2ccccc2)c(C)c1CNC[C@@H]1CNc2ccnn2C1 ZINC000058305844 507402709 /nfs/dbraw/zinc/40/27/09/507402709.db2.gz OKRNVOFXZWYNRS-GOSISDBHSA-N 0 3 350.470 2.576 50 0 FFAAHN Cc1nn(C)c2nc(C)cc(C(=O)NC[C@@H](c3ccccc3)N(C)C)c12 ZINC000024352265 507405951 /nfs/dbraw/zinc/40/59/51/507405951.db2.gz NIAHBSVKPVGDHJ-KRWDZBQOSA-N 0 3 351.454 2.618 50 0 FFAAHN CCN1CCc2c(cccc2-n2nnc(C(=O)N3CCC(C)CC3)c2C)C1 ZINC000069570365 507517650 /nfs/dbraw/zinc/51/76/50/507517650.db2.gz HNOMFASRZODOOY-UHFFFAOYSA-N 0 3 367.497 2.826 50 0 FFAAHN Cc1nn(C)c(C)c1CNCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000069833361 507570926 /nfs/dbraw/zinc/57/09/26/507570926.db2.gz DUCVTRWQUMVPAT-IYBDPMFKSA-N 0 3 356.514 2.936 50 0 FFAAHN COc1ccc(CN2CC[C@@H](n3nc(C)cc3C)C2)cc1Cn1cncn1 ZINC000072128472 507753220 /nfs/dbraw/zinc/75/32/20/507753220.db2.gz IKFXVVPAVWPWJG-LJQANCHMSA-N 0 3 366.469 2.595 50 0 FFAAHN CN(C)c1ncc(CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cn1 ZINC000072150771 507760564 /nfs/dbraw/zinc/76/05/64/507760564.db2.gz JABIUGXKNYYPFJ-OAHLLOKOSA-N 0 3 350.470 2.874 50 0 FFAAHN Cc1ccc(N[C@H]2CCCN(C(=O)c3n[nH]c4c3CN(C)CC4)C2)cc1C ZINC000072153518 507761163 /nfs/dbraw/zinc/76/11/63/507761163.db2.gz KXHUHMGBBPBGBM-KRWDZBQOSA-N 0 3 367.497 2.731 50 0 FFAAHN COc1ccc(CN2CC(N3CCCC[C@H]3C)C2)cc1Cn1cccn1 ZINC000072157475 507764254 /nfs/dbraw/zinc/76/42/54/507764254.db2.gz VUKUYJKLRKDTGC-QGZVFWFLSA-N 0 3 354.498 2.999 50 0 FFAAHN Cc1ncc2c(c1CNC(=O)c1ccc(N3CCCC3)cc1)CCNC2 ZINC000072407530 507784157 /nfs/dbraw/zinc/78/41/57/507784157.db2.gz BNSAESHRLGNICY-UHFFFAOYSA-N 0 3 350.466 2.566 50 0 FFAAHN Cc1ncc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccc3)C2)[nH]1 ZINC000072407448 507784184 /nfs/dbraw/zinc/78/41/84/507784184.db2.gz VENZQSTVHOYGBK-AZUAARDMSA-N 0 3 352.482 2.774 50 0 FFAAHN C[C@H](C1CCN(C(=O)c2ccccc2OC(F)F)CC1)N1CCOCC1 ZINC000072409580 507784464 /nfs/dbraw/zinc/78/44/64/507784464.db2.gz BUXQIAYCGKJSFX-CQSZACIVSA-N 0 3 368.424 2.861 50 0 FFAAHN Cc1cc(C)c(C(=O)N2CCCN(CCCc3ccccc3)CC2)c(=O)[nH]1 ZINC000072407811 507784770 /nfs/dbraw/zinc/78/47/70/507784770.db2.gz GQJDVKHJXLEQBO-UHFFFAOYSA-N 0 3 367.493 2.772 50 0 FFAAHN CCc1nccn1CCC(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072407712 507784845 /nfs/dbraw/zinc/78/48/45/507784845.db2.gz NMYQJHDEYMCJSH-UHFFFAOYSA-N 0 3 370.541 2.949 50 0 FFAAHN CC(C)(O)CCc1ccc(CN2CCCO[C@@H](Cn3cccn3)C2)cc1 ZINC000072409920 507785289 /nfs/dbraw/zinc/78/52/89/507785289.db2.gz PLXRQJKTRZTTNZ-HXUWFJFHSA-N 0 3 357.498 2.878 50 0 FFAAHN C[C@H](C1CCN(C(=O)CCCOc2ccccc2)CC1)N1CCOCC1 ZINC000072468898 507794487 /nfs/dbraw/zinc/79/44/87/507794487.db2.gz MCCHONGXZPZTJM-GOSISDBHSA-N 0 3 360.498 2.805 50 0 FFAAHN CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000072474536 507795417 /nfs/dbraw/zinc/79/54/17/507795417.db2.gz ZOZCQRPOGYENBL-CYBMUJFWSA-N 0 3 352.360 2.557 50 0 FFAAHN Cc1ccc(CCN2C(=O)CC[C@H]3CN(Cc4cnc(C)[nH]4)CC[C@H]32)o1 ZINC000072473648 507795503 /nfs/dbraw/zinc/79/55/03/507795503.db2.gz AQWDAQXNWQFVEI-QFBILLFUSA-N 0 3 356.470 2.675 50 0 FFAAHN O=C1N(CCO)CCC[C@@]12CCN(Cc1cccc(C(F)(F)F)c1)C2 ZINC000091473898 507988109 /nfs/dbraw/zinc/98/81/09/507988109.db2.gz HUSSOZMIZZBVCM-KRWDZBQOSA-N 0 3 356.388 2.512 50 0 FFAAHN O=C(c1cscn1)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 ZINC000091519167 507990479 /nfs/dbraw/zinc/99/04/79/507990479.db2.gz FAQNQQGAXIDFKL-WMLDXEAASA-N 0 3 353.491 2.847 50 0 FFAAHN COc1ccc2[nH]nc(CN3C[C@H]4CC[C@@H](C3)C(=O)N4CC3CCC3)c2c1 ZINC000091620513 507996463 /nfs/dbraw/zinc/99/64/63/507996463.db2.gz UTBYMQSQWFREJU-JKSUJKDBSA-N 0 3 368.481 2.794 50 0 FFAAHN CN(C)CCN1CC2(CCC1=O)CCN(Cc1ccc(F)c(F)c1)CC2 ZINC000091635575 507998939 /nfs/dbraw/zinc/99/89/39/507998939.db2.gz SAHRIJDEWXFHIV-UHFFFAOYSA-N 0 3 365.468 2.731 50 0 FFAAHN CSCCCN1C[C@H](NC(=O)c2nn(C)cc2Cl)[C@@H](C(C)C)C1 ZINC000091706769 508004375 /nfs/dbraw/zinc/00/43/75/508004375.db2.gz XSUASNHXYOZSNK-OCCSQVGLSA-N 0 3 358.939 2.513 50 0 FFAAHN Cc1ccc(C)c2c(=O)cc(CN[C@H]3CCCN(C(=O)C4CC4)C3)[nH]c12 ZINC000091876934 508021916 /nfs/dbraw/zinc/02/19/16/508021916.db2.gz NWVHGGOAMDGWHW-INIZCTEOSA-N 0 3 353.466 2.636 50 0 FFAAHN Cc1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)cn1 ZINC000091915029 508024247 /nfs/dbraw/zinc/02/42/47/508024247.db2.gz VZCRXWDTSDSTHG-PZJWPPBQSA-N 0 3 364.493 2.954 50 0 FFAAHN Cc1ncc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c(=O)[n-]1 ZINC000091934202 508025816 /nfs/dbraw/zinc/02/58/16/508025816.db2.gz KKYCPUBXIIDAQW-SFHVURJKSA-N 0 3 354.454 2.920 50 0 FFAAHN O=C1[C@H]2CC[C@H](CN(Cc3ccc(-n4ccnc4)cc3)C2)N1CC1CC1 ZINC000091951779 508026883 /nfs/dbraw/zinc/02/68/83/508026883.db2.gz BSXJUFLFPIYUOD-AZUAARDMSA-N 0 3 350.466 2.705 50 0 FFAAHN Cc1cnc(CN2C[C@]3(CCCN(Cc4cccnc4)C3)CCC2=O)cn1 ZINC000091952049 508026930 /nfs/dbraw/zinc/02/69/30/508026930.db2.gz UBABQUIEQJCLFF-OAQYLSRUSA-N 0 3 365.481 2.585 50 0 FFAAHN O=C(CCCn1ccnc1)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 ZINC000092022248 508034372 /nfs/dbraw/zinc/03/43/72/508034372.db2.gz SGBMGSNUNQFINW-AZUAARDMSA-N 0 3 370.472 2.925 50 0 FFAAHN COc1ccc(CN2C[C@H]3CC[C@H](CN3C(=O)c3ccc[nH]c3=O)C2)cc1 ZINC000092077578 508040750 /nfs/dbraw/zinc/04/07/50/508040750.db2.gz ONIMEDXUZKGAKJ-DLBZAZTESA-N 0 3 367.449 2.532 50 0 FFAAHN Cn1c(Cn2ccnc2)nnc1C1CCN(C/C=C/c2ccccc2)CC1 ZINC000092107799 508045233 /nfs/dbraw/zinc/04/52/33/508045233.db2.gz QSZKLFFGYYMEMN-VMPITWQZSA-N 0 3 362.481 2.953 50 0 FFAAHN C[C@@H]1CN(CCCCNC(=O)Cc2cccc3cccnc32)C[C@@H](C)O1 ZINC000075107561 508083383 /nfs/dbraw/zinc/08/33/83/508083383.db2.gz OCJDUXNOLXZIHB-IAGOWNOFSA-N 0 3 355.482 2.783 50 0 FFAAHN Cc1cccc(C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)c1[O-] ZINC000095352534 508173985 /nfs/dbraw/zinc/17/39/85/508173985.db2.gz SVGMIMPZPUDVIL-UHFFFAOYSA-N 0 3 370.497 2.869 50 0 FFAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(F)c2F)C1 ZINC000095360075 508176213 /nfs/dbraw/zinc/17/62/13/508176213.db2.gz GFAYKHQZDBQDHD-CQSZACIVSA-N 0 3 362.424 2.743 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)CCCn3ccnc3C)C[C@H]2N(C)C)cc1 ZINC000095378965 508180742 /nfs/dbraw/zinc/18/07/42/508180742.db2.gz ULDXVMHWUFNZSC-VQTJNVASSA-N 0 3 370.497 2.537 50 0 FFAAHN O=C(NC[C@@H]1OCCc2ccccc21)C1CCN(Cc2ccco2)CC1 ZINC000095384777 508182027 /nfs/dbraw/zinc/18/20/27/508182027.db2.gz JVKNVZUKRHDBPU-FQEVSTJZSA-N 0 3 354.450 2.922 50 0 FFAAHN CCN1CC[C@]2(CN(C/C=C/c3ccc(OC)cc3)CCN2C)CCC1=O ZINC000095384325 508182261 /nfs/dbraw/zinc/18/22/61/508182261.db2.gz YAJYKXSAPKEVBN-BDNZGDGKSA-N 0 3 371.525 2.727 50 0 FFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 ZINC000095386134 508182803 /nfs/dbraw/zinc/18/28/03/508182803.db2.gz GETSTFOCDOLLCL-SFHVURJKSA-N 0 3 369.513 2.531 50 0 FFAAHN CCN(CCC(=O)NCC(=O)c1scnc1C)Cc1ccccc1C ZINC000095456064 508186725 /nfs/dbraw/zinc/18/67/25/508186725.db2.gz IRDWGYPOGXQLKO-UHFFFAOYSA-N 0 3 359.495 2.971 50 0 FFAAHN O=C(Nc1ccccc1-n1cccn1)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000095530821 508197032 /nfs/dbraw/zinc/19/70/32/508197032.db2.gz JZVPDEPVETULCG-KRWDZBQOSA-N 0 3 369.469 2.637 50 0 FFAAHN CCCN1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000095531735 508197116 /nfs/dbraw/zinc/19/71/16/508197116.db2.gz GXUIDGLIQTXBEJ-UHFFFAOYSA-N 0 3 368.481 2.818 50 0 FFAAHN C[C@H](CO)[C@H](C)NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000095941358 508198760 /nfs/dbraw/zinc/19/87/60/508198760.db2.gz VVAPGRZNDVDLTH-CABCVRRESA-N 0 3 358.486 2.715 50 0 FFAAHN CN1CCC(O)(c2nc(-c3ccncc3)nn2-c2ccc(F)c(F)c2)CC1 ZINC000096150814 508208779 /nfs/dbraw/zinc/20/87/79/508208779.db2.gz QYGYFWIACWFEFJ-UHFFFAOYSA-N 0 3 371.391 2.521 50 0 FFAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2cccnc2N(C)C)C1 ZINC000097553205 508225996 /nfs/dbraw/zinc/22/59/96/508225996.db2.gz MTNBJBILUPIAMY-QGZVFWFLSA-N 0 3 352.482 2.675 50 0 FFAAHN CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000077299390 508296945 /nfs/dbraw/zinc/29/69/45/508296945.db2.gz SJEYPSYSISHZKT-LJQANCHMSA-N 0 3 361.449 2.600 50 0 FFAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cccn(C)c2=O)cc1 ZINC000077436891 508315585 /nfs/dbraw/zinc/31/55/85/508315585.db2.gz ORIKLHMMJHKNMS-LJQANCHMSA-N 0 3 353.466 2.814 50 0 FFAAHN COC(=O)c1cccc(CN2C[C@@H](c3ccc(C)cc3)[C@H](NC(C)=O)C2)c1 ZINC000077470451 508320162 /nfs/dbraw/zinc/32/01/62/508320162.db2.gz FVYLAVRMKRJMSR-LEWJYISDSA-N 0 3 366.461 2.886 50 0 FFAAHN COCCN1C[C@]2(CCCN(Cc3cc(C(C)(C)C)[nH]n3)C2)CCC1=O ZINC000077489020 508323476 /nfs/dbraw/zinc/32/34/76/508323476.db2.gz KSHMRMPWRHBXIL-HXUWFJFHSA-N 0 3 362.518 2.558 50 0 FFAAHN COC(=O)c1cc(CN2CCCC[C@H]2CCN2CCCC2=O)ccc1O ZINC000077516369 508326672 /nfs/dbraw/zinc/32/66/72/508326672.db2.gz FBOYCWPNNGIJOP-INIZCTEOSA-N 0 3 360.454 2.546 50 0 FFAAHN Cc1cc(N2CCCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)cc[nH+]1 ZINC000077537360 508329731 /nfs/dbraw/zinc/32/97/31/508329731.db2.gz MESQESVVWPAIIY-UHFFFAOYSA-N 0 3 362.433 2.584 50 0 FFAAHN CN(C)CCn1ccc(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)n1 ZINC000151375207 509007218 /nfs/dbraw/zinc/00/72/18/509007218.db2.gz LKIYLALQQIAMMH-KRWDZBQOSA-N 0 3 356.474 2.553 50 0 FFAAHN O[C@@H](c1cc2n(n1)CCN(C1CCN(Cc3ccccc3)CC1)C2)C1CC1 ZINC000220720527 509303525 /nfs/dbraw/zinc/30/35/25/509303525.db2.gz FNVVFQYPNGLVRM-JOCHJYFZSA-N 0 3 366.509 2.807 50 0 FFAAHN O=S1(=O)CCC[C@H](NCc2cccc(Cn3cnc4ccccc43)c2)C1 ZINC000182669034 509361549 /nfs/dbraw/zinc/36/15/49/509361549.db2.gz VUYUDPDLFWCEPO-SFHVURJKSA-N 0 3 369.490 2.751 50 0 FFAAHN CN(C)CCOc1cccc(CC(=O)NCCOc2cccc(F)c2)c1 ZINC000225413372 509370395 /nfs/dbraw/zinc/37/03/95/509370395.db2.gz VZRMEGPBCMCHKB-UHFFFAOYSA-N 0 3 360.429 2.504 50 0 FFAAHN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C[C@H](N)c3ccccc3)C2)n1 ZINC000237742599 509723779 /nfs/dbraw/zinc/72/37/79/509723779.db2.gz IUQLQRNNNNEDFV-ROUUACIJSA-N 0 3 366.465 2.657 50 0 FFAAHN Cc1ccc(NC(=O)CCN2CCC(Oc3ncccn3)CC2)c(C)c1 ZINC000252503757 509845838 /nfs/dbraw/zinc/84/58/38/509845838.db2.gz VGQTZUDQSLRFJL-UHFFFAOYSA-N 0 3 354.454 2.965 50 0 FFAAHN CN(C[C@@H](O)COc1ccccc1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000252569019 509852603 /nfs/dbraw/zinc/85/26/03/509852603.db2.gz VTZVLKQNHIIZNC-SJLPKXTDSA-N 0 3 364.486 2.661 50 0 FFAAHN Cc1ccc(NC(=O)CCN2CCC[C@@H](CN3CCCC3=O)C2)cc1F ZINC000244724143 509867437 /nfs/dbraw/zinc/86/74/37/509867437.db2.gz MOJTXQOXNAHWSM-MRXNPFEDSA-N 0 3 361.461 2.797 50 0 FFAAHN Cc1cc(C)cc(C2(CNC(=O)C[C@@H]3CN(C)CCN3C)CCCC2)c1 ZINC000244724499 509867468 /nfs/dbraw/zinc/86/74/68/509867468.db2.gz MVGOYRBNESMMAQ-HXUWFJFHSA-N 0 3 357.542 2.867 50 0 FFAAHN CC(C)n1cnnc1CN(C)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000244872889 509873664 /nfs/dbraw/zinc/87/36/64/509873664.db2.gz WGHVTBITNZUEFN-IBGZPJMESA-N 0 3 357.502 2.582 50 0 FFAAHN O[C@H]1C[C@@H]([C@@H](NC2CSCCSC2)c2ccc3c(c2)CCO3)C1 ZINC000244872957 509874101 /nfs/dbraw/zinc/87/41/01/509874101.db2.gz WHLYMYUJLRPGNB-LESCRADOSA-N 0 3 351.537 2.872 50 0 FFAAHN O=C(CCN1CCN([C@H]2CCc3ccccc3C2)CC1)Nc1nccs1 ZINC000244899369 509876041 /nfs/dbraw/zinc/87/60/41/509876041.db2.gz ZIQMZLYPYDNTCM-SFHVURJKSA-N 0 3 370.522 2.647 50 0 FFAAHN CN(CCC(=O)Nc1nnc(C2CC2)s1)C[C@H]1Cc2ccccc2O1 ZINC000244899904 509877915 /nfs/dbraw/zinc/87/79/15/509877915.db2.gz ZSOYYNQDDRRZMI-CQSZACIVSA-N 0 3 358.467 2.680 50 0 FFAAHN C[C@@H]1CCCCN1Cc1cccc(NC(=O)NCCCn2cnnc2)c1 ZINC000299756422 511670205 /nfs/dbraw/zinc/67/02/05/511670205.db2.gz HZXZZVPQQJIPLH-MRXNPFEDSA-N 0 3 356.474 2.864 50 0 FFAAHN Cc1ccc(C)c([C@H](NC(=O)CCN2CCN(C)CC2)c2cccnc2)c1 ZINC000299762375 511671420 /nfs/dbraw/zinc/67/14/20/511671420.db2.gz USQGHLUUBJOTQR-JOCHJYFZSA-N 0 3 366.509 2.542 50 0 FFAAHN COc1ccccc1-c1ncc(CNC(=O)[C@@H](N)CCSC)s1 ZINC000299801868 511685709 /nfs/dbraw/zinc/68/57/09/511685709.db2.gz YCDHIHXXLQNOKY-ZDUSSCGKSA-N 0 3 351.497 2.515 50 0 FFAAHN Cc1cc(-c2cccc(C(=O)NCCN3CCC[C@H](CO)C3)c2)cc(C)n1 ZINC000426383729 513921574 /nfs/dbraw/zinc/92/15/74/513921574.db2.gz DBQNBCXFEHRNEV-SFHVURJKSA-N 0 3 367.493 2.800 50 0 FFAAHN O=C(NC1CCN(CCc2ccccc2)CC1)c1cc(C(F)(F)F)n[nH]1 ZINC000426399331 513928769 /nfs/dbraw/zinc/92/87/69/513928769.db2.gz CDGLFCAIPIEYIJ-UHFFFAOYSA-N 0 3 366.387 2.865 50 0 FFAAHN O=C(NCCN1CCCCC1)N(Cc1ccc(O)cc1)Cc1cccnc1 ZINC000426421896 513936033 /nfs/dbraw/zinc/93/60/33/513936033.db2.gz OIBRJQXVIBQMFD-UHFFFAOYSA-N 0 3 368.481 2.985 50 0 FFAAHN COc1c(N)ccnc1-c1ccc(C(=O)N[C@@H](C)CCn2cccn2)cc1 ZINC000584887955 518524068 /nfs/dbraw/zinc/52/40/68/518524068.db2.gz ITDFPFFESMWENV-AWEZNQCLSA-N 0 3 365.437 2.745 50 0 FFAAHN CN(C)C[C@H](c1ccccc1)N(C)C(=O)NCCC(=O)NC1CCCCC1 ZINC000584894186 518526921 /nfs/dbraw/zinc/52/69/21/518526921.db2.gz JEDLRBZHZWUQOP-LJQANCHMSA-N 0 3 374.529 2.770 50 0 FFAAHN CC(C)CN1CCCn2nc(CNC(=O)COc3cccc(F)c3)cc2C1 ZINC000082161799 519723070 /nfs/dbraw/zinc/72/30/70/519723070.db2.gz AOKLPWQJIRMFLM-UHFFFAOYSA-N 0 3 374.460 2.579 50 0 FFAAHN CCOc1ccc(CC(=O)N2CC[C@H](OCCN3CCCCC3)C2)cc1 ZINC000084807985 520934450 /nfs/dbraw/zinc/93/44/50/520934450.db2.gz BBKAEHXGLJXQTG-FQEVSTJZSA-N 0 3 360.498 2.731 50 0 FFAAHN CCOC(=O)N1CCN(C(=O)C2CCN(Cc3ccc(C)cc3)CC2)CC1 ZINC000020102883 520944064 /nfs/dbraw/zinc/94/40/64/520944064.db2.gz SLNPDBQMDAWAKP-UHFFFAOYSA-N 0 3 373.497 2.508 50 0 FFAAHN CCCn1ncc2c1nc(C1CC1)cc2C(=O)N1CCN2CCC[C@@H]2C1 ZINC000020607048 521672104 /nfs/dbraw/zinc/67/21/04/521672104.db2.gz RBGLOYXYEMTHBO-OAHLLOKOSA-N 0 3 353.470 2.639 50 0 FFAAHN CN(C)c1ccc(CN2CC[C@@]3(C2)CCCN(CC2CCC2)C3=O)cn1 ZINC000091550878 522182090 /nfs/dbraw/zinc/18/20/90/522182090.db2.gz UAFYWPBWVSWGGB-OAQYLSRUSA-N 0 3 356.514 2.762 50 0 FFAAHN COc1cc(CN2CCCC[C@@H]2CO)ccc1OCCN1CCCCC1 ZINC000216363565 522373926 /nfs/dbraw/zinc/37/39/26/522373926.db2.gz UTDHDBROPQRVBN-LJQANCHMSA-N 0 3 362.514 2.907 50 0 FFAAHN COc1ccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000019841558 524479837 /nfs/dbraw/zinc/47/98/37/524479837.db2.gz DXCKNCVCYLIYBG-UHFFFAOYSA-N 0 3 353.466 2.842 50 0 FFAAHN Cc1ccnc(C[C@@H](C)N(C)Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)c1 ZINC000091603608 525658632 /nfs/dbraw/zinc/65/86/32/525658632.db2.gz FRRZBCAFPCRDBS-CQSZACIVSA-N 0 3 364.449 2.806 50 0 FFAAHN CS[C@@H](C)CCN1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000082097982 525798641 /nfs/dbraw/zinc/79/86/41/525798641.db2.gz AWTXTHHQZYQXQA-AWEZNQCLSA-N 0 3 350.532 2.647 50 0 FFAAHN Cc1nc[nH]c1CN1C[C@H]2CC[C@H](CN2Cc2cc(CC(C)C)n[nH]2)C1 ZINC000091551949 527211077 /nfs/dbraw/zinc/21/10/77/527211077.db2.gz VMLORFRTFVYYDO-QFBILLFUSA-N 0 3 356.518 2.736 50 0 FFAAHN Cc1nc[nH]c1CN1C[C@H]2CC[C@H](CN2Cc2cc(CC(C)C)[nH]n2)C1 ZINC000091551949 527211095 /nfs/dbraw/zinc/21/10/95/527211095.db2.gz VMLORFRTFVYYDO-QFBILLFUSA-N 0 3 356.518 2.736 50 0 FFAAHN Cc1nn(Cc2ccccc2Cl)c(C)c1CNC[C@@H]1CN(C)CCO1 ZINC000105471789 570872842 /nfs/dbraw/zinc/87/28/42/570872842.db2.gz IUFNBZMXSIAEGA-QGZVFWFLSA-N 0 3 362.905 2.622 50 0 FFAAHN O=C(NNc1ccncc1)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000096004138 570998676 /nfs/dbraw/zinc/99/86/76/570998676.db2.gz JTRSHORKBQSNIG-UHFFFAOYSA-N 0 3 353.357 2.579 50 0 FFAAHN C[C@H](C1CCN(Cc2ccc([O-])cc2Cl)CC1)[NH+]1CCN(C)CC1 ZINC000077355661 571140063 /nfs/dbraw/zinc/14/00/63/571140063.db2.gz XHCXFSVJFNJSSZ-OAHLLOKOSA-N 0 3 351.922 2.894 50 0 FFAAHN CCOc1cc(CNCc2ccnc(N3CCN(C)CC3)c2)ccc1OC ZINC000078459193 571141284 /nfs/dbraw/zinc/14/12/84/571141284.db2.gz IUHFYEYBIKOMIR-UHFFFAOYSA-N 0 3 370.497 2.531 50 0 FFAAHN COCCN1CC[C@@H](CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000150850336 571160589 /nfs/dbraw/zinc/16/05/89/571160589.db2.gz GNSDENNUFYBLJK-KRWDZBQOSA-N 0 3 374.506 2.600 50 0 FFAAHN Cc1nnc([C@H]2CCN(Cc3ccccc3)CCN2CC2CCOCC2)[nH]1 ZINC000675012671 971488770 /nfs/dbraw/zinc/48/87/70/971488770.db2.gz BARYENZJDDGCHM-HXUWFJFHSA-N 0 3 369.513 2.789 50 0 FFAAHN C[C@@H]1[C@H](NC(=O)N2CCCc3c(cnn3C)C2)CCN1Cc1ccccc1 ZINC000334127678 972590613 /nfs/dbraw/zinc/59/06/13/972590613.db2.gz QRGQGLWPBABFQS-VQIMIIECSA-N 0 3 367.497 2.541 50 0 FFAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)C4CCOCC4)C3)C2)c1 ZINC000012711793 1014934610 /nfs/dbraw/zinc/93/46/10/1014934610.db2.gz MXFGGUSVCMYSBN-JOCHJYFZSA-N 0 3 372.509 2.936 50 0 FFAAHN CCOc1ccccc1CN1CCC2(CN(C(C)=O)C[C@@H]2COC)CC1 ZINC000169782731 984967838 /nfs/dbraw/zinc/96/78/38/984967838.db2.gz ILSVDDHDGUPNBH-LJQANCHMSA-N 0 3 360.498 2.792 50 0 FFAAHN COc1cccc(-c2n[nH]c3c2CN(C(=O)[C@H]2CCCCCN2C)CC3)c1 ZINC000012445029 988285433 /nfs/dbraw/zinc/28/54/33/988285433.db2.gz YMYMOTKNOAAQQB-LJQANCHMSA-N 0 3 368.481 2.844 50 0 FFAAHN O[C@H](c1cn(CC2CCN(Cc3ccoc3)CC2)nn1)c1ccccc1 ZINC000019112984 988660273 /nfs/dbraw/zinc/66/02/73/988660273.db2.gz FCURZRIVSWRNMK-FQEVSTJZSA-N 0 3 352.438 2.865 50 0 FFAAHN CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)c2cc(C)nn2CC)C1 ZINC000012435395 989426755 /nfs/dbraw/zinc/42/67/55/989426755.db2.gz MEZYHWKKTYVPRV-SFHVURJKSA-N 0 3 355.486 2.733 50 0 FFAAHN Nc1ncc(CN2CCC(CNC(=O)CCc3ccccc3)CC2)s1 ZINC000827820951 999539444 /nfs/dbraw/zinc/53/94/44/999539444.db2.gz VOANJBKKLIYNSX-UHFFFAOYSA-N 0 3 358.511 2.686 50 0 FFAAHN CO[C@H]1CN(C(C)C)[C@H]1C1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000581813164 999947396 /nfs/dbraw/zinc/94/73/96/999947396.db2.gz HCYGYARSIXTWDR-ICSRJNTNSA-N 0 3 364.461 2.551 50 0 FFAAHN COc1ccc(CN[C@@H]2CCCN(C(=O)c3ccco3)C2)c(OC)c1OC ZINC000952987686 1011043773 /nfs/dbraw/zinc/04/37/73/1011043773.db2.gz GAOADRFPWCGWHW-OAHLLOKOSA-N 0 3 374.437 2.700 50 0 FFAAHN CC(C)c1ccc(N[C@@H]2CCCN(C(=O)CCN3CCN(C)CC3)C2)cc1 ZINC000019732466 1022545197 /nfs/dbraw/zinc/54/51/97/1022545197.db2.gz BFVGVUZPTNKIJQ-OAQYLSRUSA-N 0 3 372.557 2.850 50 0 FFAAHN COCc1ccc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)o1 ZINC000019840720 1022547104 /nfs/dbraw/zinc/54/71/04/1022547104.db2.gz AWXLAORHNRSIEM-FQEVSTJZSA-N 0 3 372.509 2.927 50 0 FFAAHN COc1ccc(CNC[C@@H](O)COc2cccc3c2OC(C)(C)C3)cc1 ZINC000003293348 204088310 /nfs/dbraw/zinc/08/83/10/204088310.db2.gz GVLSRCLXXJQLHE-QGZVFWFLSA-N 0 3 357.450 2.938 50 0 FFAAHN CCc1ccc(N2C(=O)C[C@H](NCCc3ccc(OC)cc3)C2=O)cc1 ZINC000003864116 204111257 /nfs/dbraw/zinc/11/12/57/204111257.db2.gz SADNVBAVWKRLNJ-IBGZPJMESA-N 0 3 352.434 2.722 50 0 FFAAHN COc1ccc(CNCc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000004160548 204125350 /nfs/dbraw/zinc/12/53/50/204125350.db2.gz YHBOGXSZZLIIJE-UHFFFAOYSA-N 0 3 352.390 2.598 50 0 FFAAHN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NCCN(C)C)c(C)c21 ZINC000008764872 204345289 /nfs/dbraw/zinc/34/52/89/204345289.db2.gz WYTCNRQUYHUHCB-UHFFFAOYSA-N 0 3 370.449 2.993 50 0 biogenic FFAAHN Cc1ccc(C)c(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 ZINC000009875154 204385349 /nfs/dbraw/zinc/38/53/49/204385349.db2.gz SBFBJRAYHKWJHB-UHFFFAOYSA-N 0 3 358.486 2.641 50 0 FFAAHN C[C@H]1C[C@H](C)CN(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1 ZINC000012779212 204495730 /nfs/dbraw/zinc/49/57/30/204495730.db2.gz TYSQXRFXVVQXLX-KBPBESRZSA-N 0 3 351.878 2.715 50 0 FFAAHN Nn1c(SCCN2CCCCC2)nc2sc3c(c2c1=O)CCCC3 ZINC000036646170 205019895 /nfs/dbraw/zinc/01/98/95/205019895.db2.gz DNENPVPVCWJLMW-UHFFFAOYSA-N 0 3 364.540 2.629 50 0 FFAAHN O=C(Cn1c(Cc2ccccc2)nc2ccccc21)NCCN1CCCC1 ZINC000037397853 205026954 /nfs/dbraw/zinc/02/69/54/205026954.db2.gz ZHUVRDYHGDUQQM-UHFFFAOYSA-N 0 3 362.477 2.839 50 0 FFAAHN CCN1CCN(Cc2ccccc2CNC(=O)c2ccc(OC)cc2)CC1 ZINC000040089975 205054324 /nfs/dbraw/zinc/05/43/24/205054324.db2.gz BYDZUEVRXWPWAD-UHFFFAOYSA-N 0 3 367.493 2.763 50 0 FFAAHN COc1cn(-c2ccccc2)nc1C(=O)NCCN1C[C@H](C)C[C@@H](C)C1 ZINC000040107592 205056201 /nfs/dbraw/zinc/05/62/01/205056201.db2.gz KICSYGFYMHMXDS-HZPDHXFCSA-N 0 3 356.470 2.589 50 0 FFAAHN CCn1cc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)c2ccccc21 ZINC000047851478 205150120 /nfs/dbraw/zinc/15/01/20/205150120.db2.gz LRTGZWNIYMGFCY-QGZVFWFLSA-N 0 3 355.482 2.988 50 0 FFAAHN Fc1ccc(OCc2noc(CN3CCC[C@H](N4CCCC4)C3)n2)cc1 ZINC000048325522 205158357 /nfs/dbraw/zinc/15/83/57/205158357.db2.gz RURCSVHCOWWQFP-INIZCTEOSA-N 0 3 360.433 2.848 50 0 FFAAHN COc1cccc(CNCc2ccc(CN3CCN(C)CC3)cc2)c1OC ZINC000048782942 205165861 /nfs/dbraw/zinc/16/58/61/205165861.db2.gz QNSRSRCPKNRXFV-UHFFFAOYSA-N 0 3 369.509 2.741 50 0 FFAAHN CCN(CC)[C@@H](CNC(=O)c1ccnc(-n2cncn2)c1)c1ccsc1 ZINC000054706033 205201586 /nfs/dbraw/zinc/20/15/86/205201586.db2.gz OPQDQQWDYMMLMA-INIZCTEOSA-N 0 3 370.482 2.537 50 0 FFAAHN CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000056144399 205228315 /nfs/dbraw/zinc/22/83/15/205228315.db2.gz HDEZSAQCWGJGDO-CABCVRRESA-N 0 3 370.453 2.545 50 0 FFAAHN COCC[C@H](C)NC(=O)Nc1ccc(N2CCCN(C)CC2)c(F)c1 ZINC000058179150 205255073 /nfs/dbraw/zinc/25/50/73/205255073.db2.gz RLEBXRKTHLRGHR-AWEZNQCLSA-N 0 3 352.454 2.514 50 0 FFAAHN Cc1cc(CNC(=O)C(C)S(C)(=O)=O)ccc1Oc1ccc(F)cc1 ZINC000058279076 205268707 /nfs/dbraw/zinc/26/87/07/205268707.db2.gz VEXVYWWBRWUUQG-CYBMUJFWSA-N 0 3 365.426 2.976 50 0 FFAAHN O=C(CCNC(=O)c1ccoc1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000058004060 205248051 /nfs/dbraw/zinc/24/80/51/205248051.db2.gz SRWJZAYDHZIBJK-IBGZPJMESA-N 0 3 369.465 2.570 50 0 FFAAHN Cc1c(CN2CCC[C@@H](c3nncn3Cc3ccccc3)C2)cnn1C ZINC000065287783 205333714 /nfs/dbraw/zinc/33/37/14/205333714.db2.gz SAIFKXUNGNJIGF-GOSISDBHSA-N 0 3 350.470 2.748 50 0 FFAAHN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)c2ccc(F)c(F)c2)C1 ZINC000065474819 205354182 /nfs/dbraw/zinc/35/41/82/205354182.db2.gz QQWNYLJZNRJUDS-OAHLLOKOSA-N 0 3 373.403 2.914 50 0 FFAAHN Cc1nnnn1-c1ccc(Cc2nc(C3CC3)nn2-c2ccnc(C)c2)cc1 ZINC000065534961 205359331 /nfs/dbraw/zinc/35/93/31/205359331.db2.gz CTTJBKICSYBDPL-UHFFFAOYSA-N 0 3 372.436 2.723 50 0 FFAAHN CCC[NH+](CCC)Cc1ccc(C(=O)NCCc2cc(=O)[n-]cn2)cc1 ZINC000065404885 205346718 /nfs/dbraw/zinc/34/67/18/205346718.db2.gz WWPMTKDEOCVJIP-UHFFFAOYSA-N 0 3 356.470 2.777 50 0 FFAAHN O=C(c1cc2n(n1)CCCNC2)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000065430592 205349655 /nfs/dbraw/zinc/34/96/55/205349655.db2.gz HHFYWRYIQUPZAD-MRXNPFEDSA-N 0 3 367.478 2.963 50 0 FFAAHN Cc1nc(NCCNC(=O)Cc2ccc(Cl)cc2)cc(N2CCCC2)n1 ZINC000067613077 205378041 /nfs/dbraw/zinc/37/80/41/205378041.db2.gz MJGJPIJLOWHEGL-UHFFFAOYSA-N 0 3 373.888 2.809 50 0 FFAAHN CCN(Cc1cccc(C(=O)Nc2cc(C)nn2C)c1)C[C@H]1CCCO1 ZINC000067743679 205388686 /nfs/dbraw/zinc/38/86/86/205388686.db2.gz QITXFANAWATTEX-GOSISDBHSA-N 0 3 356.470 2.982 50 0 FFAAHN Cc1ccccc1SCC(=O)N1CCCN(C)C2(CCN(C)CC2)C1 ZINC000067843063 205395815 /nfs/dbraw/zinc/39/58/15/205395815.db2.gz PKBSKDNEXFSWST-UHFFFAOYSA-N 0 3 361.555 2.716 50 0 FFAAHN CC(C)(N)C(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 ZINC000067854816 205397900 /nfs/dbraw/zinc/39/79/00/205397900.db2.gz FPHVMHFPTNUIFD-UHFFFAOYSA-N 0 3 353.401 2.631 50 0 FFAAHN CC(C)(N)C(=O)NCc1nc(-c2ccccn2)c(-c2cccc(F)c2)[nH]1 ZINC000067854816 205397905 /nfs/dbraw/zinc/39/79/05/205397905.db2.gz FPHVMHFPTNUIFD-UHFFFAOYSA-N 0 3 353.401 2.631 50 0 FFAAHN O=c1[nH]nc(CC2CCN(Cc3ccc(O)cc3)CC2)n1-c1ccccc1 ZINC000067871575 205398961 /nfs/dbraw/zinc/39/89/61/205398961.db2.gz DWBKLSLGKBWHQT-UHFFFAOYSA-N 0 3 364.449 2.721 50 0 FFAAHN Cc1cc(N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)nc(N)n1 ZINC000072149525 205483282 /nfs/dbraw/zinc/48/32/82/205483282.db2.gz XALLQEPDKXXGBW-LBPRGKRZSA-N 0 3 365.359 2.599 50 0 FFAAHN CCN1CC[C@@]2(CN(C/C=C/c3ccc(OC)cc3)CCN2C)CCC1=O ZINC000095384326 205747535 /nfs/dbraw/zinc/74/75/35/205747535.db2.gz YAJYKXSAPKEVBN-IOUFHMPJSA-N 0 3 371.525 2.727 50 0 FFAAHN CCCCCOc1ccc(NC(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)cc1 ZINC000097815565 205928039 /nfs/dbraw/zinc/92/80/39/205928039.db2.gz CIICDUQIHWDVJG-OALUTQOASA-N 0 3 361.486 2.928 50 0 FFAAHN C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC[C@H](C)N1CCCC1 ZINC000048128654 206082597 /nfs/dbraw/zinc/08/25/97/206082597.db2.gz ZUZQIBBWWZYEMH-NWDGAFQWSA-N 0 3 373.266 2.956 50 0 FFAAHN CC(C)[C@H](NCC(=O)N(C)Cc1ccco1)c1ccc2c(c1)OCCO2 ZINC000049625237 206093420 /nfs/dbraw/zinc/09/34/20/206093420.db2.gz VZULTAPPZZCXCT-FQEVSTJZSA-N 0 3 358.438 2.996 50 0 FFAAHN COc1cccc([C@@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)c1OC ZINC000215541097 206347317 /nfs/dbraw/zinc/34/73/17/206347317.db2.gz NZFPDHDWKYCVQS-MRXNPFEDSA-N 0 3 365.437 2.873 50 0 FFAAHN COc1cccc([C@@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)c1OC ZINC000215541097 206347320 /nfs/dbraw/zinc/34/73/20/206347320.db2.gz NZFPDHDWKYCVQS-MRXNPFEDSA-N 0 3 365.437 2.873 50 0 FFAAHN COc1cccc([C@@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)c1OC ZINC000215541097 206347323 /nfs/dbraw/zinc/34/73/23/206347323.db2.gz NZFPDHDWKYCVQS-MRXNPFEDSA-N 0 3 365.437 2.873 50 0 FFAAHN COc1cccc([C@@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)c1OC ZINC000215541097 206347327 /nfs/dbraw/zinc/34/73/27/206347327.db2.gz NZFPDHDWKYCVQS-MRXNPFEDSA-N 0 3 365.437 2.873 50 0 FFAAHN CN(C)CCN(Cc1nn(C)c2cccc(Cl)c12)C[C@@H]1CCCO1 ZINC000215611051 206350074 /nfs/dbraw/zinc/35/00/74/206350074.db2.gz MALZCVSSFWTJBL-AWEZNQCLSA-N 0 3 350.894 2.769 50 0 FFAAHN COc1cc(SC)c(OC)cc1CN1CCC2(COC(=O)O2)CC1 ZINC000215749725 206350840 /nfs/dbraw/zinc/35/08/40/206350840.db2.gz OVWJFAMXXXXTTJ-UHFFFAOYSA-N 0 3 353.440 2.927 50 0 FFAAHN C[C@]1(c2ccccc2)CCCN(Cc2cnc(N3CCOCC3)nc2)C1 ZINC000091690395 132203424 /nfs/dbraw/zinc/20/34/24/132203424.db2.gz ABMLIDRJPYAPFE-NRFANRHFSA-N 0 3 352.482 2.867 50 0 FFAAHN O=C([C@H]1CCCN(Cc2ccco2)C1)N1CCN(c2cccc(O)c2)CC1 ZINC000095379667 132209563 /nfs/dbraw/zinc/20/95/63/132209563.db2.gz SAHDFUHNRLLBKC-KRWDZBQOSA-N 0 3 369.465 2.546 50 0 FFAAHN COCC[C@H]1CCCCN1C(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000095386956 132210040 /nfs/dbraw/zinc/21/00/40/132210040.db2.gz HWTNBAGBXKEAHI-HXUWFJFHSA-N 0 3 373.541 2.925 50 0 FFAAHN OCC[C@H]1CN(c2nccc(C(F)(F)F)n2)CCN1CC1CCCCC1 ZINC000106944137 132240478 /nfs/dbraw/zinc/24/04/78/132240478.db2.gz YFBIMPWYBCLZIJ-HNNXBMFYSA-N 0 3 372.435 2.949 50 0 FFAAHN Cc1cccc(N2CCN(CCC(=O)N(C)C[C@H]3CCCCO3)CC2)c1 ZINC000240517180 132289102 /nfs/dbraw/zinc/28/91/02/132289102.db2.gz NWIXBMZMXOWMPF-HXUWFJFHSA-N 0 3 359.514 2.535 50 0 FFAAHN NC(=O)C1(N2CCCCC2)CCN(c2ncnc3ccc(Cl)cc32)CC1 ZINC000057519739 136129551 /nfs/dbraw/zinc/12/95/51/136129551.db2.gz YSMFKZRSXICWBN-UHFFFAOYSA-N 0 3 373.888 2.593 50 0 FFAAHN Cc1ccc2[nH]c([C@H]3CCCN(c4nc(C)nc5c4CCNC5)C3)nc2c1 ZINC000071745395 136139757 /nfs/dbraw/zinc/13/97/57/136139757.db2.gz MIBXPZDHPJDQPV-HNNXBMFYSA-N 0 3 362.481 2.999 50 0 FFAAHN Cc1ccc2nc([C@H]3CCCN(c4nc(C)nc5c4CCNC5)C3)[nH]c2c1 ZINC000071745395 136139758 /nfs/dbraw/zinc/13/97/58/136139758.db2.gz MIBXPZDHPJDQPV-HNNXBMFYSA-N 0 3 362.481 2.999 50 0 FFAAHN O=C(c1cccnc1N1CCN[C@@H](c2ccccc2)C1)N1CCCCC1 ZINC000065255866 506275623 /nfs/dbraw/zinc/27/56/23/506275623.db2.gz SERKNOGGXUQIRA-LJQANCHMSA-N 0 3 350.466 2.859 50 0 FFAAHN CCN1CCN(CCCNC(=O)c2cc3cn(C4CC4)cc3s2)CC1 ZINC000065285707 506283520 /nfs/dbraw/zinc/28/35/20/506283520.db2.gz VMTIMGOHJBJOMJ-UHFFFAOYSA-N 0 3 360.527 2.795 50 0 FFAAHN O=C(COc1ccc(Br)cc1)NCCN1CCCCCC1 ZINC000032817498 506297907 /nfs/dbraw/zinc/29/79/07/506297907.db2.gz FHLOJYKHTOBFGZ-UHFFFAOYSA-N 0 3 355.276 2.820 50 0 FFAAHN CCN1CCN(CCCNC(=O)c2cc(C)nc3c(C)cccc23)CC1 ZINC000033252844 506350585 /nfs/dbraw/zinc/35/05/85/506350585.db2.gz ZVFZFIUSFVDMRM-UHFFFAOYSA-N 0 3 354.498 2.609 50 0 FFAAHN COCCn1nnnc1C1(NCCc2c[nH]c3ccccc23)CCCCC1 ZINC000003767019 506349924 /nfs/dbraw/zinc/34/99/24/506349924.db2.gz IILNPPAVDSZIDI-UHFFFAOYSA-N 0 3 368.485 2.793 50 0 FFAAHN O=C(NC[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1)c1ccco1 ZINC000011879887 506801134 /nfs/dbraw/zinc/80/11/34/506801134.db2.gz WZEGVGBZQTXXBA-INIZCTEOSA-N 0 3 356.422 2.693 50 0 FFAAHN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccnn1C ZINC000012052989 506811099 /nfs/dbraw/zinc/81/10/99/506811099.db2.gz MUSJSBUHHAALFN-INIZCTEOSA-N 0 3 358.461 2.586 50 0 FFAAHN COc1ccc(-c2n[nH]cc2CN(C[C@@H]2CCC(=O)N2)C(C)C)c(OC)c1 ZINC000012306261 506846291 /nfs/dbraw/zinc/84/62/91/506846291.db2.gz WHAKDZZVNZNLAA-HNNXBMFYSA-N 0 3 372.469 2.583 50 0 FFAAHN Cc1cccc(CNC[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)c1 ZINC000012303925 506847288 /nfs/dbraw/zinc/84/72/88/506847288.db2.gz MUIPGZSYQTWAIX-NRFANRHFSA-N 0 3 374.431 2.917 50 0 FFAAHN CC(C)CCNC(=O)CC1SC(c2cc3ccccc3oc2=O)=NC1=O ZINC000014022098 506962394 /nfs/dbraw/zinc/96/23/94/506962394.db2.gz MTKFCCRVVMBVGQ-HNNXBMFYSA-N 0 3 372.446 2.734 50 0 FFAAHN Cc1cc(C(=O)N(C)CC2CCN(CCc3ccccc3F)CC2)n(C)n1 ZINC000014955613 507007296 /nfs/dbraw/zinc/00/72/96/507007296.db2.gz PFGUOAVVMHZKHQ-UHFFFAOYSA-N 0 3 372.488 2.894 50 0 FFAAHN Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN2C2CCOCC2)cc1 ZINC000015072747 507016505 /nfs/dbraw/zinc/01/65/05/507016505.db2.gz UFQGQIPAKHUEFT-LJQANCHMSA-N 0 3 354.454 2.763 50 0 FFAAHN c1ccc(CN2CCC(Nc3nn4nnnc4c4ccccc43)CC2)cc1 ZINC000015730262 507056519 /nfs/dbraw/zinc/05/65/19/507056519.db2.gz CZUTXMQURQIHDG-UHFFFAOYSA-N 0 3 359.437 2.749 50 0 FFAAHN CCc1ccc(N2CC[C@H](C(=O)NCCN3CCCCCC3)C2=O)cc1 ZINC000015782629 507059766 /nfs/dbraw/zinc/05/97/66/507059766.db2.gz UYPYXDHNNVTNNX-LJQANCHMSA-N 0 3 357.498 2.594 50 0 FFAAHN CN(Cc1cc(C(=O)N(C)C[C@@H]2CCCCN2C)no1)Cc1ccccc1 ZINC000067955158 507066528 /nfs/dbraw/zinc/06/65/28/507066528.db2.gz PKVKHFUSXHWQAE-SFHVURJKSA-N 0 3 370.497 2.863 50 0 FFAAHN C[C@@H](N)C(=O)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067967276 507071268 /nfs/dbraw/zinc/07/12/68/507071268.db2.gz QNLMELVPTNEIPY-OAHLLOKOSA-N 0 3 360.461 2.822 50 0 FFAAHN Cn1cc(C(=O)N2CCCC[C@H]2CN2CCCC2)c(=O)c2ccccc21 ZINC000019147112 507157435 /nfs/dbraw/zinc/15/74/35/507157435.db2.gz QVIWTLNXFKQSOU-INIZCTEOSA-N 0 3 353.466 2.629 50 0 FFAAHN CSc1ncc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)cn1 ZINC000019758768 507199537 /nfs/dbraw/zinc/19/95/37/507199537.db2.gz KGLTZPVJKIZBCP-SFHVURJKSA-N 0 3 364.559 2.647 50 0 FFAAHN CN(C)c1ccc(N2C(=O)C[C@H](NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000019881067 507205548 /nfs/dbraw/zinc/20/55/48/507205548.db2.gz PBJXEXFOESKBCA-NAVXVDNBSA-N 0 3 367.493 2.943 50 0 FFAAHN Cc1cccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c1C ZINC000021795029 507268525 /nfs/dbraw/zinc/26/85/25/507268525.db2.gz HUVLZBKLRHBYGZ-UHFFFAOYSA-N 0 3 368.485 2.822 50 0 FFAAHN COc1ccc([C@@H](CNC(=O)CCc2nc3ccccc3[nH]2)N(C)C)cc1 ZINC000022021446 507278022 /nfs/dbraw/zinc/27/80/22/507278022.db2.gz YSXJDURJFBUGSA-LJQANCHMSA-N 0 3 366.465 2.923 50 0 FFAAHN CCN(CC)[C@@H](CNc1ncnc2c1cnn2C)c1cccc(OC)c1 ZINC000022079222 507278465 /nfs/dbraw/zinc/27/84/65/507278465.db2.gz DSPYTUOHJMHOSD-KRWDZBQOSA-N 0 3 354.458 2.867 50 0 FFAAHN CCOc1ccc(CN2CCN(C3CCSCC3)C[C@@H]2CCO)cc1 ZINC000022932581 507321648 /nfs/dbraw/zinc/32/16/48/507321648.db2.gz VEVXVDRRMKSWQQ-IBGZPJMESA-N 0 3 364.555 2.850 50 0 FFAAHN Cc1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccco3)CC2)cc1 ZINC000023127463 507331225 /nfs/dbraw/zinc/33/12/25/507331225.db2.gz PZDGPTVCGHRURK-UHFFFAOYSA-N 0 3 355.438 2.555 50 0 FFAAHN CN(C)Cc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000025321676 507487820 /nfs/dbraw/zinc/48/78/20/507487820.db2.gz CMROXEUMSLNTCM-SFHVURJKSA-N 0 3 369.465 2.510 50 0 FFAAHN COC(=O)c1ccc(CN(C)C[C@H](O)COc2c(C)cccc2C)cc1 ZINC000027207748 507638108 /nfs/dbraw/zinc/63/81/08/507638108.db2.gz XFBDEBYYQGRGBR-IBGZPJMESA-N 0 3 357.450 2.962 50 0 FFAAHN CCN1CCN(C2(CNC(=O)c3ccc(OC)cc3)CCCCC2)CC1 ZINC000028292912 507717558 /nfs/dbraw/zinc/71/75/58/507717558.db2.gz NIVYGHAKUQTQRZ-UHFFFAOYSA-N 0 3 359.514 2.765 50 0 FFAAHN C[C@H](NC(=O)C1CCC1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000071874784 507722456 /nfs/dbraw/zinc/72/24/56/507722456.db2.gz ROKLBLOENMHCNL-INIZCTEOSA-N 0 3 357.498 2.594 50 0 FFAAHN COc1ccc([C@@H]2CN(Cc3snnc3C)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072134430 507754602 /nfs/dbraw/zinc/75/46/02/507754602.db2.gz QOBDBARQWLYCPI-DFQSSKMNSA-N 0 3 370.522 2.917 50 0 FFAAHN CCCN1CC[C@H]2N(C(=O)c3ccc4scnc4c3)CCC[C@]2(CO)C1 ZINC000072171114 507768758 /nfs/dbraw/zinc/76/87/58/507768758.db2.gz GZRYTGKNWTYORD-UYAOXDASSA-N 0 3 373.522 2.995 50 0 FFAAHN C[C@@H](C1CCN(C(=O)Cc2ccc(F)c(Cl)c2)CC1)N1CCOCC1 ZINC000072469283 507794604 /nfs/dbraw/zinc/79/46/04/507794604.db2.gz FBCBVPIEGPMRRR-AWEZNQCLSA-N 0 3 368.880 2.981 50 0 FFAAHN c1cn(Cc2cc(-c3ccccc3)on2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072479944 507797682 /nfs/dbraw/zinc/79/76/82/507797682.db2.gz WMYPBUVXWKVJMX-UHFFFAOYSA-N 0 3 360.421 2.943 50 0 FFAAHN O=C(CCc1cc2n(n1)CCCNC2)Nc1ccccc1N1CCCC1 ZINC000072479322 507797688 /nfs/dbraw/zinc/79/76/88/507797688.db2.gz NHIMSHHMVVNVHA-UHFFFAOYSA-N 0 3 353.470 2.548 50 0 FFAAHN CN(C)Cc1cccc(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000072848764 507862530 /nfs/dbraw/zinc/86/25/30/507862530.db2.gz AIYNPDUQCCTLET-SFHVURJKSA-N 0 3 363.465 2.811 50 0 FFAAHN CN(C)Cc1cccc(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000072848765 507862576 /nfs/dbraw/zinc/86/25/76/507862576.db2.gz AIYNPDUQCCTLET-GOSISDBHSA-N 0 3 363.465 2.811 50 0 FFAAHN CC(C)N(CC(=O)N[C@H](c1nccs1)c1ccccc1)CC(C)(C)O ZINC000079109269 507933851 /nfs/dbraw/zinc/93/38/51/507933851.db2.gz GVZOYDJVQVZNNZ-KRWDZBQOSA-N 0 3 361.511 2.830 50 0 FFAAHN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(C)nc3cc(F)ccc31)C2 ZINC000091411399 507983593 /nfs/dbraw/zinc/98/35/93/507983593.db2.gz DPWINYKNGIQRSB-NVXWUHKLSA-N 0 3 371.456 2.865 50 0 FFAAHN Cc1cnc(CN2C[C@@]3(CCCN(Cc4ccccn4)C3)CCC2=O)cn1 ZINC000091444603 507986060 /nfs/dbraw/zinc/98/60/60/507986060.db2.gz SVQZYWUMUKGYKE-NRFANRHFSA-N 0 3 365.481 2.585 50 0 FFAAHN CCn1ccc2c1cccc2CN1C[C@H]2CC[C@@H]1CN(S(C)(=O)=O)C2 ZINC000091535290 507991254 /nfs/dbraw/zinc/99/12/54/507991254.db2.gz GZWLHCCYJTYKMY-NVXWUHKLSA-N 0 3 361.511 2.517 50 0 FFAAHN Cc1cc(C)c(C(=O)NCCN2CC[C@@H](c3ccccc3C)C2)c(=O)[nH]1 ZINC000091736877 508006293 /nfs/dbraw/zinc/00/62/93/508006293.db2.gz YPIBODBBBXWNHT-QGZVFWFLSA-N 0 3 353.466 2.519 50 0 FFAAHN COc1ccccc1NC(=O)N1CCC(c2nccn2CCN(C)C)CC1 ZINC000091746876 508007392 /nfs/dbraw/zinc/00/73/92/508007392.db2.gz OWBYBSLCFRNBJL-UHFFFAOYSA-N 0 3 371.485 2.865 50 0 FFAAHN CCCCc1ncc(CN2CCC[C@@]3(CCC(=O)N(CCOC)C3)C2)[nH]1 ZINC000091780701 508012591 /nfs/dbraw/zinc/01/25/91/508012591.db2.gz OCOOITTVOFULSS-HXUWFJFHSA-N 0 3 362.518 2.603 50 0 FFAAHN COCCN1C[C@H]2CC[C@@H]1CN(Cc1cnc(-c3ccccc3C)nc1)C2 ZINC000091847281 508018947 /nfs/dbraw/zinc/01/89/47/508018947.db2.gz RVVDDHDUVHBPNL-AZUAARDMSA-N 0 3 366.509 2.995 50 0 FFAAHN Cn1cc(CN2CCC(CC(=O)N3CCCC3)CC2)c(-c2ccncc2)n1 ZINC000092056960 508038212 /nfs/dbraw/zinc/03/82/12/508038212.db2.gz ZVYZFSCCUROSSW-UHFFFAOYSA-N 0 3 367.497 2.707 50 0 FFAAHN Cc1cn2c(ncc(C(=O)Nc3cc(CN(C)C)ccc3C)c2=O)s1 ZINC000092948062 508109934 /nfs/dbraw/zinc/10/99/34/508109934.db2.gz UMPRPXXGXRVRAQ-UHFFFAOYSA-N 0 3 356.451 2.687 50 0 FFAAHN Cc1ccc([C@@H](C(=O)N2CCC(N3CCSCC3)CC2)N(C)C)cc1 ZINC000095376097 508179942 /nfs/dbraw/zinc/17/99/42/508179942.db2.gz OZSHZWJMPNEFOR-IBGZPJMESA-N 0 3 361.555 2.638 50 0 FFAAHN Cc1ccc2nc(CNC(=O)[C@@H]3CCCN(Cc4ccco4)C3)cn2c1 ZINC000095385421 508181968 /nfs/dbraw/zinc/18/19/68/508181968.db2.gz GWNPDHBVVYKKFG-MRXNPFEDSA-N 0 3 352.438 2.764 50 0 FFAAHN Cc1noc(C)c1CN1CC2(CC1=O)CCN(Cc1ccncc1)CC2 ZINC000095384131 508182319 /nfs/dbraw/zinc/18/23/19/508182319.db2.gz CRNJVRHKYVVOLA-UHFFFAOYSA-N 0 3 354.454 2.701 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)c1cn(CC(C)C)c(=O)c2ccccc12 ZINC000095473994 508188322 /nfs/dbraw/zinc/18/83/22/508188322.db2.gz GBJBYMUFGPGATG-INIZCTEOSA-N 0 3 355.482 2.872 50 0 FFAAHN Cc1nc(C2CC[NH+](C[C@H]3CCOc4ccccc4C3)CC2)cc(=O)[n-]1 ZINC000095498768 508189978 /nfs/dbraw/zinc/18/99/78/508189978.db2.gz GCVMKUGSNXYEJN-INIZCTEOSA-N 0 3 353.466 2.899 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)c3cccnc3SC)C[C@H]2N(C)C)cc1 ZINC000095506521 508192134 /nfs/dbraw/zinc/19/21/34/508192134.db2.gz BVQZCVPITYYTQS-ZWKOTPCHSA-N 0 3 371.506 2.982 50 0 FFAAHN CCCN1CCc2nc[nH]c2C12CCN(C(=O)c1ccnc(CC)c1)CC2 ZINC000095512511 508193112 /nfs/dbraw/zinc/19/31/12/508193112.db2.gz DPCFVWJCPFTJJH-UHFFFAOYSA-N 0 3 367.497 2.767 50 0 FFAAHN O=C(C1CC1)N1CCc2nc[nH]c2C12CCN(Cc1ccsc1)CC2 ZINC000095522405 508194946 /nfs/dbraw/zinc/19/49/46/508194946.db2.gz YJIGYLDWROMGQU-UHFFFAOYSA-N 0 3 356.495 2.757 50 0 FFAAHN Cc1[nH]ccc1C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2CC(C)C ZINC000095531185 508197159 /nfs/dbraw/zinc/19/71/59/508197159.db2.gz KQXNIUUFTDIZHS-UHFFFAOYSA-N 0 3 355.486 2.692 50 0 FFAAHN O=C(NC[C@H](c1cccnc1)N1CCCCC1)c1[nH]nc2c1CCCC2 ZINC000096152738 508209087 /nfs/dbraw/zinc/20/90/87/508209087.db2.gz FARMIPTWSDKMII-GOSISDBHSA-N 0 3 353.470 2.641 50 0 FFAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000096153715 508209130 /nfs/dbraw/zinc/20/91/30/508209130.db2.gz GHNOJICCFPQPLM-SFHVURJKSA-N 0 3 366.461 2.986 50 0 FFAAHN CCOc1ccc(NC(=O)NCCN2CCC[C@@H](CO)C2)cc1Cl ZINC000096161927 508209176 /nfs/dbraw/zinc/20/91/76/508209176.db2.gz MTCVTHLGPPNGQY-CYBMUJFWSA-N 0 3 355.866 2.565 50 0 FFAAHN CN1[C@H]2C=C[C@@H]1C[C@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2 ZINC000100068175 508238068 /nfs/dbraw/zinc/23/80/68/508238068.db2.gz WUOOUIFCFAXEKJ-WDNDVIMCSA-N 0 3 361.488 2.990 50 0 FFAAHN O=C(c1ccc2c(c1)OCO2)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000077377482 508306911 /nfs/dbraw/zinc/30/69/11/508306911.db2.gz VTBKQKXJVGFMCI-UHFFFAOYSA-N 0 3 364.445 2.731 50 0 FFAAHN COc1ccc(OCCN2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077426181 508314982 /nfs/dbraw/zinc/31/49/82/508314982.db2.gz YXBQDDJOAKUHNV-OAQYLSRUSA-N 0 3 358.482 2.941 50 0 FFAAHN O=C(N[C@@H]1CCN(Cc2cc3ccccc3s2)C[C@H]1O)c1cccnc1 ZINC000077469914 508320074 /nfs/dbraw/zinc/32/00/74/508320074.db2.gz VGEBMYJUKSFCAE-QZTJIDSGSA-N 0 3 367.474 2.662 50 0 FFAAHN CN(C)C[C@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CCO1 ZINC000116795559 508563449 /nfs/dbraw/zinc/56/34/49/508563449.db2.gz PPJUYDDMQLUWQD-NSHDSACASA-N 0 3 356.253 2.877 50 0 FFAAHN O=C(Cn1cc(-c2ccccc2)nn1)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000129365669 508718893 /nfs/dbraw/zinc/71/88/93/508718893.db2.gz GDKZOKQQNNFHMO-IBGZPJMESA-N 0 3 373.460 2.956 50 0 FFAAHN C[C@@H](Cc1cnccn1)N(C)C(=O)C1(c2ccccc2)CCN(C)CC1 ZINC000220613551 509302743 /nfs/dbraw/zinc/30/27/43/509302743.db2.gz UVTGEZMJYMPNHU-KRWDZBQOSA-N 0 3 352.482 2.530 50 0 FFAAHN O[C@H](c1cc2n(n1)CCN(C1CCN(Cc3ccccc3)CC1)C2)C1CC1 ZINC000220720604 509303877 /nfs/dbraw/zinc/30/38/77/509303877.db2.gz FNVVFQYPNGLVRM-QFIPXVFZSA-N 0 3 366.509 2.807 50 0 FFAAHN CCOc1ccc(CC(=O)N2CCCO[C@H](CN3CCCCC3)C2)cc1 ZINC000221216150 509306464 /nfs/dbraw/zinc/30/64/64/509306464.db2.gz OCEHOMDELFTRQJ-HXUWFJFHSA-N 0 3 360.498 2.731 50 0 FFAAHN CCN(CC(=O)NCC1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000225670249 509382671 /nfs/dbraw/zinc/38/26/71/509382671.db2.gz DURONFQWRUUTJE-MRXNPFEDSA-N 0 3 353.507 2.624 50 0 FFAAHN Cn1nnc2ccc(C(=O)NC[C@@H]3CCCCN3Cc3ccccc3)cc21 ZINC000183340117 509726303 /nfs/dbraw/zinc/72/63/03/509726303.db2.gz IOJQKZHTRCPARK-SFHVURJKSA-N 0 3 363.465 2.753 50 0 FFAAHN CN(CC1(O)CCCC1)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189746573 509730949 /nfs/dbraw/zinc/73/09/49/509730949.db2.gz BAVMEAKVJUIYMD-KRWDZBQOSA-N 0 3 352.425 2.693 50 0 FFAAHN Cc1[nH]c2ccccc2c1CC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000252484539 509840480 /nfs/dbraw/zinc/84/04/80/509840480.db2.gz FYWVARNNASKBEZ-HNNXBMFYSA-N 0 3 355.482 2.731 50 0 FFAAHN CN(Cc1cc(-c2cccnc2)no1)C(=O)CSCCN1CCCC1 ZINC000244626526 509861454 /nfs/dbraw/zinc/86/14/54/509861454.db2.gz FNJJFVXPDOBFNI-UHFFFAOYSA-N 0 3 360.483 2.524 50 0 FFAAHN O=c1cc([C@H]2C[C@@H]([NH2+]C3Cc4ccccc4C3)C2)nc(N2CCCC2)[n-]1 ZINC000253535340 509885478 /nfs/dbraw/zinc/88/54/78/509885478.db2.gz UIJSEFIVGJCPFV-MAEOIBBWSA-N 0 3 350.466 2.785 50 0 FFAAHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnc(C)nc1C ZINC000180879816 510161682 /nfs/dbraw/zinc/16/16/82/510161682.db2.gz XTJNBQIUFKIEDI-SFHVURJKSA-N 0 3 368.481 2.926 50 0 FFAAHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)C1 ZINC000247515236 510864140 /nfs/dbraw/zinc/86/41/40/510864140.db2.gz YRHCADKNYGSEBC-MAUKXSAKSA-N 0 3 359.514 2.807 50 0 FFAAHN O=C(NCCN1CCCC[C@H]1CO)Nc1ccccc1Oc1cccnc1 ZINC000299765070 511673341 /nfs/dbraw/zinc/67/33/41/511673341.db2.gz ULXXYIIASWMCJM-INIZCTEOSA-N 0 3 370.453 2.842 50 0 FFAAHN CCS(=O)(=O)CCNC(=O)Nc1cccc(CN2CCCC[C@H]2C)c1 ZINC000299773360 511675847 /nfs/dbraw/zinc/67/58/47/511675847.db2.gz FOIBLYZVUYUIOX-OAHLLOKOSA-N 0 3 367.515 2.617 50 0 FFAAHN O=C(NCCCc1ccc(F)cc1)N1CCC(N2CCSCC2)CC1 ZINC000426444952 513941625 /nfs/dbraw/zinc/94/16/25/513941625.db2.gz NUKOCTQVWFVHHR-UHFFFAOYSA-N 0 3 365.518 2.981 50 0 FFAAHN O=C(NCCc1nc(-c2ccccc2)cs1)N1[C@@H]2CC[C@H]1CNCC2 ZINC000426506544 513964007 /nfs/dbraw/zinc/96/40/07/513964007.db2.gz DXQMVNBCAQTIPH-CVEARBPZSA-N 0 3 356.495 2.889 50 0 FFAAHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc(-c3cccc(N)n3)cc1)C2 ZINC000426746345 514030933 /nfs/dbraw/zinc/03/09/33/514030933.db2.gz UBVSYGBWRVRMTO-NRFANRHFSA-N 0 3 350.466 2.889 50 0 FFAAHN CN(Cc1noc(C2CCCC2)n1)C(=O)NC1(CN2CCCCC2)CC1 ZINC000534650543 517983799 /nfs/dbraw/zinc/98/37/99/517983799.db2.gz JUHZEFVXIGKRBJ-UHFFFAOYSA-N 0 3 361.490 2.887 50 0 FFAAHN c1ccc(CN2CCC(N3C[C@@H](OCC4CC4)C34CCOCC4)CC2)nc1 ZINC000575546276 518229151 /nfs/dbraw/zinc/22/91/51/518229151.db2.gz SXVDQXVHGYWWTC-OAQYLSRUSA-N 0 3 371.525 2.706 50 0 FFAAHN CCN1CC[C@H](NC(=O)N2CCN(c3cccc4ccccc43)CC2)C1 ZINC000584885528 518522569 /nfs/dbraw/zinc/52/25/69/518522569.db2.gz QPBHMRBRVDPZFZ-SFHVURJKSA-N 0 3 352.482 2.766 50 0 FFAAHN CCN(CCn1cccn1)C(=O)c1cccc(-c2nccc(N)c2OC)c1 ZINC000584890845 518524908 /nfs/dbraw/zinc/52/49/08/518524908.db2.gz FBAPNGGUCQFFBH-UHFFFAOYSA-N 0 3 365.437 2.698 50 0 FFAAHN CC(C)c1noc([C@H]2CCCN2C(=O)CSCCN2CCCC2)n1 ZINC000091644678 519911936 /nfs/dbraw/zinc/91/19/36/519911936.db2.gz SNKQMTDXGUEJCM-CQSZACIVSA-N 0 3 352.504 2.686 50 0 FFAAHN COC(=O)c1cc(CNC(=O)[C@@H]2CCCN2C2CCCC2)ccc1OC ZINC000089457359 521851056 /nfs/dbraw/zinc/85/10/56/521851056.db2.gz XVLNDOIMBVGQPI-KRWDZBQOSA-N 0 3 360.454 2.505 50 0 FFAAHN CN(C)CCn1cc(NC(=O)NC2(c3c(F)cccc3F)CCC2)cn1 ZINC000626416072 522175947 /nfs/dbraw/zinc/17/59/47/522175947.db2.gz IRMCFYNGUAMDGP-UHFFFAOYSA-N 0 3 363.412 2.924 50 0 FFAAHN COc1cc(CNCCc2ccccc2F)cc(Cl)c1OCC(N)=O ZINC000019871794 522455921 /nfs/dbraw/zinc/45/59/21/522455921.db2.gz MQVLRTUABPBRRC-UHFFFAOYSA-N 0 3 366.820 2.684 50 0 FFAAHN CCn1c(Cn2cncn2)nnc1C1CCN(Cc2ccc(C)cc2)CC1 ZINC000091602600 523208253 /nfs/dbraw/zinc/20/82/53/523208253.db2.gz OFSFXVATCYTAPH-UHFFFAOYSA-N 0 3 365.485 2.626 50 0 FFAAHN CCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2cccnc2)CC1 ZINC000091644733 523208668 /nfs/dbraw/zinc/20/86/68/523208668.db2.gz ZTMCNTJMRFKSCQ-UHFFFAOYSA-N 0 3 365.485 2.626 50 0 FFAAHN COc1ccc(C(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)c(C)c1 ZINC000082120142 523712970 /nfs/dbraw/zinc/71/29/70/523712970.db2.gz XHZNZEILIVGZKV-UHFFFAOYSA-N 0 3 370.497 2.992 50 0 FFAAHN Cc1cccc(CN2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)n1 ZINC000082138739 524390437 /nfs/dbraw/zinc/39/04/37/524390437.db2.gz BSTTUEYSJRNNMM-UHFFFAOYSA-N 0 3 354.502 2.758 50 0 FFAAHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccnc(OCc2ccccc2)c1 ZINC000079098921 524572157 /nfs/dbraw/zinc/57/21/57/524572157.db2.gz QSWHHYJWDPWQHX-KXBFYZLASA-N 0 3 351.450 2.873 50 0 FFAAHN Cc1nccn1Cc1nnc(C2CCN(Cc3cccc(F)c3)CC2)n1C ZINC000091593163 527450175 /nfs/dbraw/zinc/45/01/75/527450175.db2.gz GCYWUCIGEVMLSL-UHFFFAOYSA-N 0 3 368.460 2.887 50 0 FFAAHN OCCOc1ccccc1CN[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000019788809 527558430 /nfs/dbraw/zinc/55/84/30/527558430.db2.gz ZAHLBBUYJSCJNO-IBGZPJMESA-N 0 3 358.457 2.951 50 0 FFAAHN O=C(NCc1ccccc1)[C@H]1C[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000021161549 571144210 /nfs/dbraw/zinc/14/42/10/571144210.db2.gz SMTJSCKZFGDAGH-RADWXHQJSA-N 0 3 361.445 2.635 50 0 FFAAHN Cc1nn(-c2ccc(C(=O)NCCN(C)C)cc2)c2c1C(=O)CC(C)(C)C2 ZINC000021652887 571144242 /nfs/dbraw/zinc/14/42/42/571144242.db2.gz PHDSKXPRWSLQCD-UHFFFAOYSA-N 0 3 368.481 2.627 50 0 FFAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)Cn2ncc3ccccc32)C1 ZINC000670444406 571349714 /nfs/dbraw/zinc/34/97/14/571349714.db2.gz PSXMVFFBEDTHGU-LJQANCHMSA-N 0 3 362.477 2.950 50 0 FFAAHN Cc1ncsc1CN1CCC2(CC1)C[C@H](CC(=O)NC1CC1)CCO2 ZINC000169774129 728982294 /nfs/dbraw/zinc/98/22/94/728982294.db2.gz JYSKPJJBNOPXPA-HNNXBMFYSA-N 0 3 363.527 2.881 50 0 FFAAHN Cc1nnc([C@@H]2CCN(Cc3ccccc3)CCN2Cc2cccnc2)[nH]1 ZINC000675013553 971489875 /nfs/dbraw/zinc/48/98/75/971489875.db2.gz NJDISZLYCNIINJ-FQEVSTJZSA-N 0 3 362.481 2.957 50 0 FFAAHN O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCN1CCCn1cccn1 ZINC000012703605 1014919856 /nfs/dbraw/zinc/91/98/56/1014919856.db2.gz ROZYOVILWDDMFB-LJQANCHMSA-N 0 3 364.453 2.562 50 0 FFAAHN CCN(CCNC(=O)CC1=C2CCCC[C@@H]2N(C)C1=O)Cc1ccccc1 ZINC000169785566 984964456 /nfs/dbraw/zinc/96/44/56/984964456.db2.gz JWAGKQJNSWTMCJ-FQEVSTJZSA-N 0 3 369.509 2.726 50 0 FFAAHN COc1ccc2c(C[N@@H+]3CCC[C@H](c4cc(=O)[n-]cn4)C3)cn(C)c2c1 ZINC000032558343 986521702 /nfs/dbraw/zinc/52/17/02/986521702.db2.gz BIYHTJLYTBAQMR-AWEZNQCLSA-N 0 3 352.438 2.650 50 0 FFAAHN COc1ccc2c(C[N@H+]3CCC[C@H](c4cc(=O)[n-]cn4)C3)cn(C)c2c1 ZINC000032558343 986521708 /nfs/dbraw/zinc/52/17/08/986521708.db2.gz BIYHTJLYTBAQMR-AWEZNQCLSA-N 0 3 352.438 2.650 50 0 FFAAHN Cc1nnc(SCC(=O)NC2CCN(Cc3cccs3)CC2)s1 ZINC000828014958 999551026 /nfs/dbraw/zinc/55/10/26/999551026.db2.gz QXLQWZXHJXXVOR-UHFFFAOYSA-N 0 3 368.553 2.781 50 0 FFAAHN COCCC(=O)N1CCC(N2C[C@H](OCC3CC3)C23CCCCC3)CC1 ZINC000581802816 999946038 /nfs/dbraw/zinc/94/60/38/999946038.db2.gz QGTNWIXYEWGUBS-IBGZPJMESA-N 0 3 364.530 2.828 50 0 FFAAHN CS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2CN2CCCC2)cc1 ZINC000952964711 1011013401 /nfs/dbraw/zinc/01/34/01/1011013401.db2.gz NDRRSPIJIAGKDG-UHFFFAOYSA-N 0 3 372.490 2.867 50 0 FFAAHN Cc1cnc(C(=O)NC[C@H]2CCCN(C/C=C/c3ccccc3)C2)cn1 ZINC000952966244 1011014542 /nfs/dbraw/zinc/01/45/42/1011014542.db2.gz DABZMNSYTARILK-NTPDMAOXSA-N 0 3 350.466 2.940 50 0 FFAAHN CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)CN3CCCC3=O)C2)cc1 ZINC000015073944 1021788880 /nfs/dbraw/zinc/78/88/80/1021788880.db2.gz MGFRCYPEPNAOQY-HXUWFJFHSA-N 0 3 371.525 2.588 50 0 FFAAHN Cc1ccc(-c2ccccc2CN2CC[C@@H](N3CCOCC3)[C@H](O)C2)o1 ZINC000019226649 1022502025 /nfs/dbraw/zinc/50/20/25/1022502025.db2.gz YOIWGRXTSFXYAU-WOJBJXKFSA-N 0 3 356.466 2.522 50 0 FFAAHN COCCCNc1nc2n[nH]c(N)c2c2c1CN(C1CCCCC1)CC2 ZINC000005207789 204196944 /nfs/dbraw/zinc/19/69/44/204196944.db2.gz RAJSOZUGVJQRDY-UHFFFAOYSA-N 0 3 358.490 2.679 50 0 FFAAHN CCCCN(C)CCNC(=O)Cn1ncc2c1-c1cc(C)ccc1OC2 ZINC000006819704 204273768 /nfs/dbraw/zinc/27/37/68/204273768.db2.gz KXVIRGKHEXVOON-UHFFFAOYSA-N 0 3 356.470 2.599 50 0 FFAAHN CCOc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000010544009 204398051 /nfs/dbraw/zinc/39/80/51/204398051.db2.gz AEHVMHFHDPUJSZ-HOTGVXAUSA-N 0 3 354.516 2.732 50 0 FFAAHN O=C1C[C@@H](NCc2ccc(-n3cccn3)cc2)CN1Cc1ccc(F)cc1 ZINC000012706056 204487638 /nfs/dbraw/zinc/48/76/38/204487638.db2.gz PCZSWLJBUGXPDA-LJQANCHMSA-N 0 3 364.424 2.902 50 0 FFAAHN COc1ccc2c(c1)C[C@@H](C(=O)NCCCN(C)Cc1ccccc1)CO2 ZINC000015786247 204620875 /nfs/dbraw/zinc/62/08/75/204620875.db2.gz GRNDETHELNSENA-LJQANCHMSA-N 0 3 368.477 2.885 50 0 FFAAHN O=C(NCCN1CCCCC1)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770134 204618417 /nfs/dbraw/zinc/61/84/17/204618417.db2.gz DITNDLNPIOCYBX-UHFFFAOYSA-N 0 3 373.526 2.510 50 0 FFAAHN CCC(CC)CN1CCN(CC(=O)Nc2cccc3nsnc32)CC1 ZINC000022752184 204786945 /nfs/dbraw/zinc/78/69/45/204786945.db2.gz SNJIDJUFKSDSKU-UHFFFAOYSA-N 0 3 361.515 2.684 50 0 FFAAHN Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(NC2CCN(C)CC2)n1 ZINC000036613512 205017608 /nfs/dbraw/zinc/01/76/08/205017608.db2.gz HTUXCESLFOMSQO-UHFFFAOYSA-N 0 3 354.380 2.710 50 0 FFAAHN C[C@H]1CCCCN1CCNC(=O)c1ccc(I)cc1 ZINC000040107541 205056032 /nfs/dbraw/zinc/05/60/32/205056032.db2.gz JCCUAXNVFIKYSP-LBPRGKRZSA-N 0 3 372.250 2.895 50 0 FFAAHN COc1ccc(CN[C@H](C)CN2CCCC2=O)cc1OCc1cccnc1 ZINC000048780090 205166066 /nfs/dbraw/zinc/16/60/66/205166066.db2.gz ZAJQQZBYFPCKRG-MRXNPFEDSA-N 0 3 369.465 2.770 50 0 FFAAHN CC(C)(C)[C@@H](NCC(=O)NC(=O)NCC(F)(F)F)c1cccs1 ZINC000052838705 205188777 /nfs/dbraw/zinc/18/87/77/205188777.db2.gz NCGJOSGAJOZPEN-NSHDSACASA-N 0 3 351.394 2.813 50 0 FFAAHN CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000056168839 205228304 /nfs/dbraw/zinc/22/83/04/205228304.db2.gz XKDSAAUISNBUBV-YTQUADARSA-N 0 3 357.498 2.587 50 0 FFAAHN C[C@@H](C(=O)NCc1ccccc1CN(C)C1CCCCC1)S(C)(=O)=O ZINC000058168854 205253782 /nfs/dbraw/zinc/25/37/82/205253782.db2.gz IGWFYMOLAOVYCU-HNNXBMFYSA-N 0 3 366.527 2.500 50 0 FFAAHN O=C([C@H]1CC=CCC1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058174362 205253936 /nfs/dbraw/zinc/25/39/36/205253936.db2.gz DFQDAYNTMCOZQN-UXHICEINSA-N 0 3 368.525 2.799 50 0 FFAAHN CCOC(=O)[C@@]1(CCOC)CCCN(Cc2ccc3nsnc3c2)C1 ZINC000064024096 205297767 /nfs/dbraw/zinc/29/77/67/205297767.db2.gz UVXDORGHILBTDT-GOSISDBHSA-N 0 3 363.483 2.873 50 0 FFAAHN CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)c1cc2n(n1)CCCNC2 ZINC000065431233 205350727 /nfs/dbraw/zinc/35/07/27/205350727.db2.gz NFZGDLSXZVGDAD-NRFANRHFSA-N 0 3 352.482 2.816 50 0 FFAAHN Cc1[nH]nc2ncc(C(=O)N(CCN(C)C)Cc3ccc(F)cc3F)cc12 ZINC000065937601 205362314 /nfs/dbraw/zinc/36/23/14/205362314.db2.gz AAUCVUMRDDFBQK-UHFFFAOYSA-N 0 3 373.407 2.749 50 0 FFAAHN CCn1nc(NC(=O)c2ccc(CN3CCN(C(C)C)CC3)cc2)cc1C ZINC000065371359 205339425 /nfs/dbraw/zinc/33/94/25/205339425.db2.gz XZBXPLASOSXOQL-UHFFFAOYSA-N 0 3 369.513 2.990 50 0 FFAAHN CCNc1cc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc(C)n1 ZINC000065364035 205340425 /nfs/dbraw/zinc/34/04/25/205340425.db2.gz FWVSOVZINUZRJT-UHFFFAOYSA-N 0 3 358.421 2.710 50 0 FFAAHN CNC(=O)[C@H]1CCN(Cc2ccc(C(=O)Nc3cccc(OC)c3)cc2)C1 ZINC000065381522 205343905 /nfs/dbraw/zinc/34/39/05/205343905.db2.gz MTIGIHIOLCADQF-KRWDZBQOSA-N 0 3 367.449 2.515 50 0 FFAAHN CCn1c(=O)[nH]nc1C1CCN(Cc2ccc([C@@H]3CCCO3)s2)CC1 ZINC000065388197 205344293 /nfs/dbraw/zinc/34/42/93/205344293.db2.gz SXZWWLUGGMBDPY-HNNXBMFYSA-N 0 3 362.499 2.884 50 0 FFAAHN Cc1nc(CCNc2nc(-c3ccncc3)nc3c2CCNC3)sc1C ZINC000067868800 205398926 /nfs/dbraw/zinc/39/89/26/205398926.db2.gz VFARVEZJJIQAEP-UHFFFAOYSA-N 0 3 366.494 2.912 50 0 FFAAHN CN1CCC(N(CCc2ccccc2)C(=O)c2cn3cccnc3n2)CC1 ZINC000072425963 205541400 /nfs/dbraw/zinc/54/14/00/205541400.db2.gz BSDOGBUXHUGAJN-UHFFFAOYSA-N 0 3 363.465 2.508 50 0 FFAAHN CC(C)=CCN1CCN(Cc2ccc(-n3cccn3)cc2)C[C@H]1CCO ZINC000104368891 206230656 /nfs/dbraw/zinc/23/06/56/206230656.db2.gz VGQBLRCYXHGLAI-OAQYLSRUSA-N 0 3 354.498 2.707 50 0 FFAAHN Cc1ccccc1OC[C@@H](O)CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000172555832 206282311 /nfs/dbraw/zinc/28/23/11/206282311.db2.gz GVQNYYVFIZNUCL-ROUUACIJSA-N 0 3 366.465 2.657 50 0 FFAAHN CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)C1 ZINC000012414185 206290061 /nfs/dbraw/zinc/29/00/61/206290061.db2.gz UTVHFJMPJPDOLN-MXDZQPNWSA-N 0 3 365.514 2.608 50 0 FFAAHN COc1ccc(-n2cc(-c3ccnc(N[C@H]4CCCN(C)C4)n3)cn2)cc1 ZINC000019739817 206333633 /nfs/dbraw/zinc/33/36/33/206333633.db2.gz IXDSWIGGGBYAPC-INIZCTEOSA-N 0 3 364.453 2.844 50 0 FFAAHN O[C@H]1[C@H](n2ccnc2)c2ccccc2C12CCN(Cc1cccnc1)CC2 ZINC000019110768 206334518 /nfs/dbraw/zinc/33/45/18/206334518.db2.gz BSLFPOCNWAIWFR-RTWAWAEBSA-N 0 3 360.461 2.776 50 0 FFAAHN Cc1nc(CC2CCN(Cc3cc4ccc(C)cc4[nH]c3=O)CC2)no1 ZINC000215303661 206344959 /nfs/dbraw/zinc/34/49/59/206344959.db2.gz CIYLOLCNZLLCHI-UHFFFAOYSA-N 0 3 352.438 2.983 50 0 FFAAHN Cc1ncsc1CCN(C)Cc1cc(Cl)ccc1OCC(N)=O ZINC000215614153 206350670 /nfs/dbraw/zinc/35/06/70/206350670.db2.gz WBSPDYOZAZATSR-UHFFFAOYSA-N 0 3 353.875 2.644 50 0 FFAAHN O=C(CSCCN1CCCC1)NCc1nc2cc(Cl)ccc2[nH]1 ZINC000219792490 206390329 /nfs/dbraw/zinc/39/03/29/206390329.db2.gz SERHSZGTKYMDJZ-UHFFFAOYSA-N 0 3 352.891 2.662 50 0 FFAAHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cccc(OC(F)F)c1 ZINC000223211258 206435015 /nfs/dbraw/zinc/43/50/15/206435015.db2.gz CDKVUOXBHAMVKB-MRXNPFEDSA-N 0 3 354.397 2.661 50 0 FFAAHN C[C@@H]1C[C@@H](Nc2cc(N3CCOCC3)ncn2)CCN1Cc1ccccc1 ZINC000302870155 258113129 /nfs/dbraw/zinc/11/31/29/258113129.db2.gz BBYDELXWPJFICZ-MJGOQNOKSA-N 0 3 367.497 2.778 50 0 FFAAHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)cc1 ZINC000331972882 258208327 /nfs/dbraw/zinc/20/83/27/258208327.db2.gz RWPVDEQJDJTNBK-ZWKOTPCHSA-N 0 3 364.511 2.661 50 0 FFAAHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2[C@H]2CCCCC2=O)cc1 ZINC000331972880 258208394 /nfs/dbraw/zinc/20/83/94/258208394.db2.gz RWPVDEQJDJTNBK-QZTJIDSGSA-N 0 3 364.511 2.661 50 0 FFAAHN Cc1cccc(C(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c1 ZINC000082230224 132197960 /nfs/dbraw/zinc/19/79/60/132197960.db2.gz NJJFBVDBXNSZPP-UHFFFAOYSA-N 0 3 365.481 2.656 50 0 FFAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ncccc1C)C2 ZINC000095378565 132209344 /nfs/dbraw/zinc/20/93/44/132209344.db2.gz ANUJVCHKWJULFP-SBHAEUEKSA-N 0 3 359.514 2.734 50 0 FFAAHN CCc1cc(N2CCC(NCc3ccon3)CC2)nc(N2CCCCC2)n1 ZINC000095506147 132212503 /nfs/dbraw/zinc/21/25/03/132212503.db2.gz QLMMTBAJIZAJIV-UHFFFAOYSA-N 0 3 370.501 2.776 50 0 FFAAHN CCCc1cc(N2CCC(NCc3cnn4cccnc34)CC2)nc(C)n1 ZINC000096152483 132221056 /nfs/dbraw/zinc/22/10/56/132221056.db2.gz DLKYHMITISXGSV-UHFFFAOYSA-N 0 3 365.485 2.539 50 0 FFAAHN Cc1ccc2cc(CN3CCCN(C)CC3)c(N3CCOCC3)nc2c1 ZINC000223713028 132280018 /nfs/dbraw/zinc/28/00/18/132280018.db2.gz PBYMDLUYNOKPET-UHFFFAOYSA-N 0 3 354.498 2.517 50 0 FFAAHN COC[C@H](C)NCc1cccnc1N1CCN(c2ccccc2C)CC1 ZINC000067803022 136137692 /nfs/dbraw/zinc/13/76/92/136137692.db2.gz IZMLLPJXCVUFDP-SFHVURJKSA-N 0 3 354.498 2.841 50 0 FFAAHN COC(=O)c1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000070928540 136138591 /nfs/dbraw/zinc/13/85/91/136138591.db2.gz MKJUTFZXFMIGJK-UHFFFAOYSA-N 0 3 353.422 2.515 50 0 FFAAHN Cc1cc(N2CCC[C@@H](N3CCCC3=O)C2)c2cc3c(cc2n1)OCO3 ZINC000071738506 136139848 /nfs/dbraw/zinc/13/98/48/136139848.db2.gz NMNYDOSMGFZBGA-CQSZACIVSA-N 0 3 353.422 2.863 50 0 FFAAHN Cc1nc(C(F)(F)F)nc(N2CCN(C3CCCC3)[C@H](CCO)C2)c1C ZINC000072422887 136146167 /nfs/dbraw/zinc/14/61/67/136146167.db2.gz DZKGAMNOPDMDFC-OAHLLOKOSA-N 0 3 372.435 2.928 50 0 FFAAHN O=C(NCCN1CCCCC1)c1cn2ccnc(-c3ccc(F)cc3)c2n1 ZINC000065274533 506278921 /nfs/dbraw/zinc/27/89/21/506278921.db2.gz INPGHZBEEILOPN-UHFFFAOYSA-N 0 3 367.428 2.751 50 0 FFAAHN O=C(NCc1ccccn1)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065312148 506285665 /nfs/dbraw/zinc/28/56/65/506285665.db2.gz VXZSLTRWKCVZMY-HXUWFJFHSA-N 0 3 373.460 2.558 50 0 FFAAHN O[C@H](COCc1ccco1)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000032769044 506293944 /nfs/dbraw/zinc/29/39/44/506293944.db2.gz WCPDWXVUHGURBJ-FUHWJXTLSA-N 0 3 359.422 2.765 50 0 FFAAHN C[C@@H]1CCCCN1CCNC(=O)c1nn(C)c2c1CCc1sccc1-2 ZINC000035504929 506386592 /nfs/dbraw/zinc/38/65/92/506386592.db2.gz WJEPZOXIJSGIGA-CYBMUJFWSA-N 0 3 358.511 2.851 50 0 FFAAHN CCN1CCN(c2ccc(NC(=O)CN3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000007346265 506554645 /nfs/dbraw/zinc/55/46/45/506554645.db2.gz SLCWQNRLCOQURR-ROUUACIJSA-N 0 3 358.530 2.745 50 0 FFAAHN CN(Cc1ccccc1)C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000011840229 506796855 /nfs/dbraw/zinc/79/68/55/506796855.db2.gz WHKWJLZVCRMQIO-OAQYLSRUSA-N 0 3 374.431 2.950 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)C2=CCCC2)CC1 ZINC000012090583 506815590 /nfs/dbraw/zinc/81/55/90/506815590.db2.gz CIQFSWHJXGRXII-LJQANCHMSA-N 0 3 361.530 2.716 50 0 FFAAHN CCOC(=O)N1CCN(C(=O)Nc2cccc(CN3CCCCC3)c2)CC1 ZINC000044276573 506826735 /nfs/dbraw/zinc/82/67/35/506826735.db2.gz RPGCGDZPKTZRNL-UHFFFAOYSA-N 0 3 374.485 2.979 50 0 FFAAHN CC(C)(C)CN1CCC[C@@](O)(CNCc2c[nH]nc2-c2ccccc2)C1=O ZINC000012300188 506845850 /nfs/dbraw/zinc/84/58/50/506845850.db2.gz IAQZHTRDJBHRNY-OAQYLSRUSA-N 0 3 370.497 2.566 50 0 FFAAHN COc1ccc(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)c(OC)n1 ZINC000012442550 506866642 /nfs/dbraw/zinc/86/66/42/506866642.db2.gz RQDRGDBANLDWJX-QGZVFWFLSA-N 0 3 369.465 2.536 50 0 FFAAHN Cc1ccccc1OC1CCN(C[C@]2(O)CCCN(CC3CC3)C2=O)CC1 ZINC000012702465 506889102 /nfs/dbraw/zinc/88/91/02/506889102.db2.gz AEVHIWAZXMEOBM-JOCHJYFZSA-N 0 3 372.509 2.602 50 0 FFAAHN CC1(C)Cc2cc(CNC[C@]3(O)CCCN(CC4CCC4)C3=O)ccc2O1 ZINC000012714110 506892330 /nfs/dbraw/zinc/89/23/30/506892330.db2.gz CGEYRHYGFZYPFZ-JOCHJYFZSA-N 0 3 372.509 2.643 50 0 FFAAHN O=C1C[C@H](NCc2ccc(-n3cccn3)cc2)CN1Cc1ccc(F)cc1 ZINC000012706049 506892482 /nfs/dbraw/zinc/89/24/82/506892482.db2.gz PCZSWLJBUGXPDA-IBGZPJMESA-N 0 3 364.424 2.902 50 0 FFAAHN CCCn1ncc(CN2CCC[C@](CCOC)(C(=O)OCC)C2)c1C ZINC000014972734 507008639 /nfs/dbraw/zinc/00/86/39/507008639.db2.gz XXFKXNODSANWNQ-LJQANCHMSA-N 0 3 351.491 2.783 50 0 FFAAHN CN(Cc1ccccc1)C1(C(=O)NCCc2cn[nH]c2)Cc2ccccc2C1 ZINC000015065149 507015888 /nfs/dbraw/zinc/01/58/88/507015888.db2.gz RJLCRAPQBSGTDD-UHFFFAOYSA-N 0 3 374.488 2.738 50 0 FFAAHN O=C1OCC2(CCN(Cc3cnc4c(-c5ccccc5)cnn4c3)CC2)O1 ZINC000067910108 507047866 /nfs/dbraw/zinc/04/78/66/507047866.db2.gz ZODNZQQHAZIKKB-UHFFFAOYSA-N 0 3 364.405 2.898 50 0 FFAAHN CC[C@H]1CCCCN1CC(=O)NCc1cc(OC)c(OC)cc1OC ZINC000016334133 507081908 /nfs/dbraw/zinc/08/19/08/507081908.db2.gz BITYVPSHLBDTMG-HNNXBMFYSA-N 0 3 350.459 2.593 50 0 FFAAHN Cc1c(CN2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cnn1C ZINC000019732954 507196117 /nfs/dbraw/zinc/19/61/17/507196117.db2.gz PGPQZIUPIYKXPO-OAQYLSRUSA-N 0 3 371.504 2.654 50 0 FFAAHN COc1cc(C)c(CN2CCc3nnc([C@H]4CCCO4)n3CC2)cc1C ZINC000019742676 507196511 /nfs/dbraw/zinc/19/65/11/507196511.db2.gz UBQWQVJHILFCEW-QGZVFWFLSA-N 0 3 356.470 2.813 50 0 FFAAHN O=C(NCCN1CCCCCC1)C1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000021158604 507245672 /nfs/dbraw/zinc/24/56/72/507245672.db2.gz YUVNCYGZAZEBCY-UHFFFAOYSA-N 0 3 369.513 2.772 50 0 FFAAHN O=C(NCC1CCN(Cc2cccs2)CC1)C(=O)Nc1ccccc1 ZINC000023127536 507331871 /nfs/dbraw/zinc/33/18/71/507331871.db2.gz WOHVIQLJKXWPPN-UHFFFAOYSA-N 0 3 357.479 2.715 50 0 FFAAHN CCn1nc(C)c(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)c1C ZINC000023144960 507335629 /nfs/dbraw/zinc/33/56/29/507335629.db2.gz HRVXYOHABUEVGL-FQEVSTJZSA-N 0 3 362.562 2.969 50 0 FFAAHN Cc1c(C(=O)NC2CCCCC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000069844340 507571555 /nfs/dbraw/zinc/57/15/55/507571555.db2.gz NSKKVPAUENTZDW-UHFFFAOYSA-N 0 3 353.470 2.626 50 0 FFAAHN Cc1noc(C)c1CS(=O)(=O)C(C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000071853554 507720901 /nfs/dbraw/zinc/72/09/01/507720901.db2.gz DXGIUDVSWIIBQE-DOMZBBRYSA-N 0 3 364.467 2.515 50 0 FFAAHN CC[C@H](O)CNC(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1 ZINC000072127133 507751034 /nfs/dbraw/zinc/75/10/34/507751034.db2.gz NAGTYMGNUPXMBL-FQEVSTJZSA-N 0 3 352.478 2.543 50 0 FFAAHN CC[C@@H]1CN(Cc2nc(-c3ccc(C(=O)OC)cc3)no2)CCN1C(C)C ZINC000072127206 507751943 /nfs/dbraw/zinc/75/19/43/507751943.db2.gz JTHZDVKYDMOQFB-QGZVFWFLSA-N 0 3 372.469 2.828 50 0 FFAAHN CC[C@@H]1CCCCN1CCNC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC000072309569 507774879 /nfs/dbraw/zinc/77/48/79/507774879.db2.gz GGBASCDEIYRMOI-JKSUJKDBSA-N 0 3 355.523 2.870 50 0 FFAAHN CCCNc1ncc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)cn1 ZINC000072431694 507790152 /nfs/dbraw/zinc/79/01/52/507790152.db2.gz QVAXIQGVTWWKAF-OAQYLSRUSA-N 0 3 365.525 2.974 50 0 FFAAHN COc1cc2c(cc1C(=O)N1CCC([C@@H](C)N3CCOCC3)CC1)CCC2 ZINC000072435800 507791697 /nfs/dbraw/zinc/79/16/97/507791697.db2.gz BDCXKLWWLHUFBU-MRXNPFEDSA-N 0 3 372.509 2.757 50 0 FFAAHN CC(=O)NCc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000029839853 507792411 /nfs/dbraw/zinc/79/24/11/507792411.db2.gz VRUCPWUEUFOQAP-UHFFFAOYSA-N 0 3 365.477 2.501 50 0 FFAAHN CN1CCC(N(CCc2ccccc2)C(=O)c2cnc3cccnn23)CC1 ZINC000072454271 507793409 /nfs/dbraw/zinc/79/34/09/507793409.db2.gz RQQPAHRGHIHGPC-UHFFFAOYSA-N 0 3 363.465 2.508 50 0 FFAAHN c1cn(Cc2c[nH]nc2-c2ccccc2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072463177 507793756 /nfs/dbraw/zinc/79/37/56/507793756.db2.gz HOZIPCDBDPQDAF-UHFFFAOYSA-N 0 3 359.437 2.678 50 0 FFAAHN COc1ccc(Cl)cc1C(=O)N1CCC([C@@H](C)N2CCOCC2)CC1 ZINC000072457133 507794025 /nfs/dbraw/zinc/79/40/25/507794025.db2.gz DAXQDNYPESDKHO-CQSZACIVSA-N 0 3 366.889 2.922 50 0 FFAAHN O=C(CCCc1cn[nH]c1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072474986 507795597 /nfs/dbraw/zinc/79/55/97/507795597.db2.gz HGQMUYCVYBXZED-UHFFFAOYSA-N 0 3 352.482 2.782 50 0 FFAAHN CC(C)Cc1ccc(CN2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)s1 ZINC000091469012 507988221 /nfs/dbraw/zinc/98/82/21/507988221.db2.gz FRWMXGMGSPHILU-MSOLQXFVSA-N 0 3 353.528 2.671 50 0 FFAAHN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)NCC[C@H](C)N1CCN(C)CC1 ZINC000091650163 507999671 /nfs/dbraw/zinc/99/96/71/507999671.db2.gz ZWKURDLHDBYCGZ-INIZCTEOSA-N 0 3 356.514 2.849 50 0 FFAAHN CCc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)[nH]n1 ZINC000091781533 508012264 /nfs/dbraw/zinc/01/22/64/508012264.db2.gz YAVGBVBVCQTQOA-HNAYVOBHSA-N 0 3 364.493 2.676 50 0 FFAAHN CN(C(=O)CN1CC[C@@]2(C1)CCCN(CC1CCC1)C2=O)c1ccccc1 ZINC000092062223 508038631 /nfs/dbraw/zinc/03/86/31/508038631.db2.gz REJDLXOBGAWDEM-JOCHJYFZSA-N 0 3 369.509 2.764 50 0 FFAAHN Cn1cccc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095369080 508178406 /nfs/dbraw/zinc/17/84/06/508178406.db2.gz GFIQCEPZLLBBPT-DFQSSKMNSA-N 0 3 353.441 2.867 50 0 FFAAHN O=C(c1cnc(-c2ccncc2)nc1)N1CCCC[C@H]1CN1CCCC1 ZINC000095374976 508179781 /nfs/dbraw/zinc/17/97/81/508179781.db2.gz VMJDDHQWTJNZSS-SFHVURJKSA-N 0 3 351.454 2.629 50 0 FFAAHN Cc1nccn1Cc1nnc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1C ZINC000095388101 508182841 /nfs/dbraw/zinc/18/28/41/508182841.db2.gz QDOQGDCJSJGTPC-KRWDZBQOSA-N 0 3 368.460 2.887 50 0 FFAAHN O=C(Nc1ccc(-n2ccnc2)cc1)N1CCC(N2CCSCC2)CC1 ZINC000095511990 508193491 /nfs/dbraw/zinc/19/34/91/508193491.db2.gz GMYPKGLGPXYAJD-UHFFFAOYSA-N 0 3 371.510 2.917 50 0 FFAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)[C@H]2CCCCO2)CC1 ZINC000095513104 508193537 /nfs/dbraw/zinc/19/35/37/508193537.db2.gz NQTIFFYXKNAHEN-OAQYLSRUSA-N 0 3 374.525 2.977 50 0 FFAAHN CCCN1CCc2nc[nH]c2C12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000095527285 508196577 /nfs/dbraw/zinc/19/65/77/508196577.db2.gz UTBBPYLPGFIDKZ-UHFFFAOYSA-N 0 3 368.481 2.818 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC ZINC000096115297 508206847 /nfs/dbraw/zinc/20/68/47/508206847.db2.gz AHWKZXHQZLTRJI-MRXNPFEDSA-N 0 3 372.465 2.643 50 0 biogenic FFAAHN O=C(c1cnn(-c2ccccc2)c1)N1CCC(N2CCSCC2)CC1 ZINC000096137582 508207348 /nfs/dbraw/zinc/20/73/48/508207348.db2.gz CQFAWOOPQLZQCG-UHFFFAOYSA-N 0 3 356.495 2.526 50 0 FFAAHN OC[C@@]12CN(Cc3ccc(-c4cc[nH]n4)o3)C[C@@H]1c1ccccc1OC2 ZINC000096153420 508208870 /nfs/dbraw/zinc/20/88/70/508208870.db2.gz SNJAFUBWPIQMMT-OXQOHEQNSA-N 0 3 351.406 2.640 50 0 FFAAHN Cc1ccc(CN(Cc2ccccn2)C(=O)C[C@H]2CN(C)CCN2C)s1 ZINC000097334224 508223467 /nfs/dbraw/zinc/22/34/67/508223467.db2.gz XCBABIZFMXJSBR-SFHVURJKSA-N 0 3 372.538 2.616 50 0 FFAAHN O=C(c1ccc(-c2ncc[nH]2)s1)N1CCC(N2CCSCC2)CC1 ZINC000097594738 508226831 /nfs/dbraw/zinc/22/68/31/508226831.db2.gz YMKUOIFEIQNQNP-UHFFFAOYSA-N 0 3 362.524 2.792 50 0 FFAAHN CC/C=C/CC(=O)N1CCC2(CCN(Cc3cccnc3)CC2)[C@@H](CO)C1 ZINC000097743507 508229796 /nfs/dbraw/zinc/22/97/96/508229796.db2.gz VJHDEWZDHAIWOP-WUUFJKRQSA-N 0 3 371.525 2.861 50 0 FFAAHN O=C1CCCN1CC[C@H]1CCCCN1Cc1cnc(-c2ccccn2)nc1 ZINC000077285581 508295245 /nfs/dbraw/zinc/29/52/45/508295245.db2.gz ICDBAGAXTNWYRJ-GOSISDBHSA-N 0 3 365.481 2.906 50 0 FFAAHN COc1ccc(CN2C[C@@H](C(C)C)[C@H](NC(C)=O)C2)cc1Cn1cccn1 ZINC000077470281 508319864 /nfs/dbraw/zinc/31/98/64/508319864.db2.gz RNQHGLKEACCAEN-VQTJNVASSA-N 0 3 370.497 2.533 50 0 FFAAHN Cc1cc(C)n(-c2ccc(C(=O)N3CCC(OCCN(C)C)CC3)cc2)n1 ZINC000077471022 508320522 /nfs/dbraw/zinc/32/05/22/508320522.db2.gz GNLCITZVCZSHCU-UHFFFAOYSA-N 0 3 370.497 2.672 50 0 FFAAHN CC(C)=CCC/C(C)=C/CN1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC000077504948 508325090 /nfs/dbraw/zinc/32/50/90/508325090.db2.gz POEUYFCLGWIBAY-YLBLARDPSA-N 0 3 357.498 2.939 50 0 FFAAHN COc1cc(CNC[C@@H]2CN(C)CCO2)ccc1OCc1cccs1 ZINC000105472043 508373591 /nfs/dbraw/zinc/37/35/91/508373591.db2.gz IHPNHUCJCUZUDA-MRXNPFEDSA-N 0 3 362.495 2.756 50 0 FFAAHN O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000223199739 509331896 /nfs/dbraw/zinc/33/18/96/509331896.db2.gz LKMGXEIWEWPALG-QKPAOTATSA-N 0 3 354.372 2.687 50 0 FFAAHN CCOc1cc2c(cc1/C=C\C(=O)N1CCC[C@@H]1CN(C)C)O[C@@H](C)C2 ZINC000229425908 509425289 /nfs/dbraw/zinc/42/52/89/509425289.db2.gz HNSOQMFSUGUPHJ-QLSXZMNESA-N 0 3 358.482 2.975 50 0 FFAAHN O=C(Nc1ccccc1)[C@H]1CCCN(C[C@@H](O)c2ccc3c(c2)OCO3)C1 ZINC000229505180 509425479 /nfs/dbraw/zinc/42/54/79/509425479.db2.gz IVBVUMFCBFHJJO-FUHWJXTLSA-N 0 3 368.433 2.799 50 0 FFAAHN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C[C@@H](N)c3ccccc3)C2)n1 ZINC000237740805 509724394 /nfs/dbraw/zinc/72/43/94/509724394.db2.gz IUQLQRNNNNEDFV-QZTJIDSGSA-N 0 3 366.465 2.657 50 0 FFAAHN Cc1ccc(CN2CCN(C3CSCCSC3)C[C@H]2CCO)cc1 ZINC000252445443 509837322 /nfs/dbraw/zinc/83/73/22/509837322.db2.gz DMRAQLJKUMQEOL-GOSISDBHSA-N 0 3 366.596 2.712 50 0 FFAAHN CC(C)Oc1ccccc1CNC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000240886167 509841006 /nfs/dbraw/zinc/84/10/06/509841006.db2.gz INMLJQADOSQOIC-DLBZAZTESA-N 0 3 364.486 2.791 50 0 FFAAHN COc1ccc(C)cc1NC(=O)CCN1CCC(Cc2noc(C)n2)CC1 ZINC000241081907 509841230 /nfs/dbraw/zinc/84/12/30/509841230.db2.gz YSFUBUOWLZMKFM-UHFFFAOYSA-N 0 3 372.469 2.978 50 0 FFAAHN Cc1noc([C@@]23CN(C(=O)C(C)C)C[C@@H]2CCN(Cc2ccccc2)C3)n1 ZINC000257196578 509955465 /nfs/dbraw/zinc/95/54/65/509955465.db2.gz YMDDIJGYUMKDCD-RXVVDRJESA-N 0 3 368.481 2.636 50 0 FFAAHN CN(Cc1cscn1)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000194268890 510287740 /nfs/dbraw/zinc/28/77/40/510287740.db2.gz CVYMVINZQBHWHM-UHFFFAOYSA-N 0 3 358.511 2.992 50 0 FFAAHN O=C(CCn1ccnn1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000175622898 510697369 /nfs/dbraw/zinc/69/73/69/510697369.db2.gz YLLQATXFCVHFIX-UHFFFAOYSA-N 0 3 367.497 2.716 50 0 FFAAHN O=C(Nc1cccc(-n2cccn2)c1)N1CCCO[C@@H](CN2CCCC2)C1 ZINC000299757904 511670784 /nfs/dbraw/zinc/67/07/84/511670784.db2.gz IGWHTHORBUHZQG-IBGZPJMESA-N 0 3 369.469 2.591 50 0 FFAAHN CCCn1cc(C(=O)NCC2(c3ccccc3)CCN(C)CC2)c(C)n1 ZINC000299767056 511673497 /nfs/dbraw/zinc/67/34/97/511673497.db2.gz BMQXFKHRWPQZMH-UHFFFAOYSA-N 0 3 354.498 2.995 50 0 FFAAHN COc1ccccc1Oc1ccccc1NC(=O)NC[C@@H]1CNCCO1 ZINC000299765777 511673537 /nfs/dbraw/zinc/67/35/37/511673537.db2.gz AOYPBUTZOLFKDE-AWEZNQCLSA-N 0 3 357.410 2.597 50 0 FFAAHN CCc1cc(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)cc(=O)[nH]1 ZINC000299777060 511677636 /nfs/dbraw/zinc/67/76/36/511677636.db2.gz IFGUBJQBNUJMIH-INIZCTEOSA-N 0 3 353.466 2.877 50 0 FFAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1cccc(N2CCCC2)c1C ZINC000299783696 511678839 /nfs/dbraw/zinc/67/88/39/511678839.db2.gz XEKQKCNDMNFTAR-HKUYNNGSSA-N 0 3 360.502 2.824 50 0 FFAAHN COCCN1CCC[C@@H](CN(C)C(=O)Nc2ccnn2-c2ccccc2)C1 ZINC000299783280 511679126 /nfs/dbraw/zinc/67/91/26/511679126.db2.gz XZIGPFVKTDBFBW-KRWDZBQOSA-N 0 3 371.485 2.694 50 0 FFAAHN COc1ccccc1-c1ccc(NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000299792179 511681880 /nfs/dbraw/zinc/68/18/80/511681880.db2.gz FILRDBZXXICQDV-ROUUACIJSA-N 0 3 355.438 2.501 50 0 FFAAHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1c[nH]nc1-c1ccccc1F ZINC000299794148 511683934 /nfs/dbraw/zinc/68/39/34/511683934.db2.gz IHGKIOAHXFKVBI-HNNXBMFYSA-N 0 3 372.444 2.589 50 0 FFAAHN COCC(=O)Nc1cccc(NC(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000426402002 513929143 /nfs/dbraw/zinc/92/91/43/513929143.db2.gz QQOWGEFNLYVUBV-UHFFFAOYSA-N 0 3 374.485 2.754 50 0 FFAAHN COCc1nc([C@H]2CCOC2)cc(N2CCN(C3CCCCC3)CC2)n1 ZINC000426668461 514010456 /nfs/dbraw/zinc/01/04/56/514010456.db2.gz SVWNWSMVOCMWDI-INIZCTEOSA-N 0 3 360.502 2.582 50 0 FFAAHN CCCNC(=O)c1cc(NC(=O)N2CCN3CCC[C@@H]3C2)ccc1Cl ZINC000426689268 514016560 /nfs/dbraw/zinc/01/65/60/514016560.db2.gz OLIIUHFNKTZCFO-CQSZACIVSA-N 0 3 364.877 2.792 50 0 FFAAHN O=C(NCCCN1CCC(O)CC1)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000426726722 514024856 /nfs/dbraw/zinc/02/48/56/514024856.db2.gz HALAOSXGWWFGLV-LJQANCHMSA-N 0 3 363.477 2.909 50 0 FFAAHN Cc1cc(C)n(CC2(CNC(=O)N3CC(N4CCCC[C@@H]4C)C3)CC2)n1 ZINC000534631122 517973110 /nfs/dbraw/zinc/97/31/10/517973110.db2.gz AKBCAAGDYZYSLX-INIZCTEOSA-N 0 3 359.518 2.548 50 0 FFAAHN CN1CCC(N(Cc2ccncc2)C(=O)NCCCc2ccco2)CC1 ZINC000534634167 517973615 /nfs/dbraw/zinc/97/36/15/517973615.db2.gz HBDGFWZVPBHHDP-UHFFFAOYSA-N 0 3 356.470 2.913 50 0 FFAAHN Cc1noc([C@@H](C)NC(=O)N(C)CC2CCN(Cc3ccccc3)CC2)n1 ZINC000584891889 518526404 /nfs/dbraw/zinc/52/64/04/518526404.db2.gz OYQZSGURRWEIJG-OAHLLOKOSA-N 0 3 371.485 2.993 50 0 FFAAHN Cc1nc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc2c1CCCC2 ZINC000584894994 518528008 /nfs/dbraw/zinc/52/80/08/518528008.db2.gz BOCRNKFNEGNNOQ-UHFFFAOYSA-N 0 3 350.466 2.766 50 0 FFAAHN CC(C)(C)NC(=O)COc1ccc(CN2CC[C@](C)(O)C(C)(C)C2)cc1 ZINC000091603720 518737075 /nfs/dbraw/zinc/73/70/75/518737075.db2.gz KVCOJFOSIGWIFO-NRFANRHFSA-N 0 3 362.514 2.963 50 0 FFAAHN CC(C)=CCN1CCN(Cc2ccc(-n3cccn3)cc2)C[C@@H]1CCO ZINC000020599180 519427438 /nfs/dbraw/zinc/42/74/38/519427438.db2.gz VGQBLRCYXHGLAI-NRFANRHFSA-N 0 3 354.498 2.707 50 0 FFAAHN CCC[C@@H]1CN(Cc2cccc3c2ccn3CC)C[C@H]1NS(C)(=O)=O ZINC000082091995 520840920 /nfs/dbraw/zinc/84/09/20/520840920.db2.gz RUKLQLBZLJUVKM-SJLPKXTDSA-N 0 3 363.527 2.811 50 0 FFAAHN CCN1CCN(C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000019790694 521684451 /nfs/dbraw/zinc/68/44/51/521684451.db2.gz RHWOLUBHHZKDCJ-DIGXMAGLSA-N 0 3 350.547 2.608 50 0 FFAAHN CCn1c(Cn2cncn2)nnc1C1CCN(Cc2ccccc2C)CC1 ZINC000091635555 523207809 /nfs/dbraw/zinc/20/78/09/523207809.db2.gz UQYNWYIXLPISGJ-UHFFFAOYSA-N 0 3 365.485 2.626 50 0 FFAAHN Cc1cc(CN2CCC(Cn3cc(Cc4ccccc4)nn3)CC2)n[nH]1 ZINC000020997421 524674156 /nfs/dbraw/zinc/67/41/56/524674156.db2.gz LXIBDYJDPRYFTK-UHFFFAOYSA-N 0 3 350.470 2.813 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)CCc3[nH]nc(C)c3C)C[C@H]2N(C)C)cc1 ZINC000091519192 525256106 /nfs/dbraw/zinc/25/61/06/525256106.db2.gz STVQYMLFTVMLCN-AZUAARDMSA-N 0 3 370.497 2.524 50 0 FFAAHN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCN(C)CC1 ZINC000020726850 525987303 /nfs/dbraw/zinc/98/73/03/525987303.db2.gz NNOGGHIZSYFXBN-CQSZACIVSA-N 0 3 355.935 2.574 50 0 FFAAHN COC(=O)/C=C1\SCC(=O)N1CCCN1CCC[C@H]1c1ccccc1 ZINC000198268646 571115353 /nfs/dbraw/zinc/11/53/53/571115353.db2.gz IBUDYYWSSQUPLZ-CQUHBBLWSA-N 0 3 360.479 2.803 50 0 FFAAHN O=C(C1CCCC1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058208525 571128735 /nfs/dbraw/zinc/12/87/35/571128735.db2.gz PKLWYWPVPABHDG-SFHVURJKSA-N 0 3 356.514 2.632 50 0 FFAAHN O=C(c1nc2ccccc2[nH]1)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000252482076 571131298 /nfs/dbraw/zinc/13/12/98/571131298.db2.gz CXKVZRMZWWBYEG-UHFFFAOYSA-N 0 3 360.461 2.878 50 0 FFAAHN C[C@H](Cc1ccccc1)NCCS(=O)(=O)N[C@@H](C)Cc1ccccc1 ZINC000669368691 571173896 /nfs/dbraw/zinc/17/38/96/571173896.db2.gz CVBWMLQFSONOFO-MSOLQXFVSA-N 0 3 360.523 2.758 50 0 FFAAHN C[C@H]1CN(Cc2ccc3c[nH]nc3c2)CCN1C[C@H](O)c1ccccc1 ZINC000584908332 571320065 /nfs/dbraw/zinc/32/00/65/571320065.db2.gz FWCCWONVMKPSGM-KKSFZXQISA-N 0 3 350.466 2.803 50 0 FFAAHN COCCN1CC[C@@H](CN(C)S(=O)(=O)c2cc(C)c(Cl)cc2C)C1 ZINC000952966204 740471484 /nfs/dbraw/zinc/47/14/84/740471484.db2.gz CWLPRYCMNBTWFA-HNNXBMFYSA-N 0 3 374.934 2.546 50 0 FFAAHN COc1cccc(CC(=O)N(CCN2CCCCC2)C2CCOCC2)c1 ZINC000675020565 971499199 /nfs/dbraw/zinc/49/91/99/971499199.db2.gz SOBOKXXOYGBESH-UHFFFAOYSA-N 0 3 360.498 2.731 50 0 FFAAHN C[C@@H]1[C@@H](NC(=O)N2CCCc3c(cnn3C)C2)CCN1Cc1ccccc1 ZINC000334127675 972590702 /nfs/dbraw/zinc/59/07/02/972590702.db2.gz QRGQGLWPBABFQS-APWZRJJASA-N 0 3 367.497 2.541 50 0 FFAAHN C[C@@H]1CN(c2ccc(CNCC3=Cc4ccccc4OC3)cn2)CCO1 ZINC000102422618 1014183713 /nfs/dbraw/zinc/18/37/13/1014183713.db2.gz LEDGRHQAMKHTEY-MRXNPFEDSA-N 0 3 351.450 2.872 50 0 FFAAHN O=C(NCCN1CCCCC1)[C@H]1CCc2ncc(-c3ccc(F)cc3)n2C1 ZINC000169761269 984956258 /nfs/dbraw/zinc/95/62/58/984956258.db2.gz BCWONBZSDHKIEL-KRWDZBQOSA-N 0 3 370.472 2.854 50 0 FFAAHN O[C@@H](c1cn(CC2CCN(Cc3ccoc3)CC2)nn1)c1ccccc1 ZINC000019112986 1022496151 /nfs/dbraw/zinc/49/61/51/1022496151.db2.gz FCURZRIVSWRNMK-HXUWFJFHSA-N 0 3 352.438 2.865 50 0 FFAAHN N[C@H](C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1)C1CCCCC1 ZINC001506396493 1059490253 /nfs/dbraw/zinc/49/02/53/1059490253.db2.gz UMSJYLFLGFGDJL-KRWDZBQOSA-N 0 3 357.458 2.715 50 0 FFAAHN Cc1[nH]nc(CN2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)c1Cl ZINC001529095941 1062158138 /nfs/dbraw/zinc/15/81/38/1062158138.db2.gz ZLNJKNSNXQNCOO-RDTXWAMCSA-N 0 3 356.857 2.955 50 0 FFAAHN Cc1nc(N2CCCC2)nc(NCC2(N3CCN(C)CC3)CCCC2)c1C ZINC001529101305 1062161120 /nfs/dbraw/zinc/16/11/20/1062161120.db2.gz BZXMLNBPOINQBB-UHFFFAOYSA-N 0 3 372.561 2.666 50 0 FFAAHN Cc1ccc(OCCN2CC[C@H](O)[C@](CO)(Cc3ccccc3)C2)c(C)c1 ZINC001529112603 1062168410 /nfs/dbraw/zinc/16/84/10/1062168410.db2.gz ONKBOVKYCSFJQQ-XZOQPEGZSA-N 0 3 369.505 2.970 50 0 FFAAHN CN(C)[C@@H](CNC(=O)C(=O)NC1CCCC1)c1cccc2ccccc21 ZINC000010333444 204010831 /nfs/dbraw/zinc/01/08/31/204010831.db2.gz IIOGZIGUWACMEX-IBGZPJMESA-N 0 3 353.466 2.618 50 0 FFAAHN COc1ccc([C@H](CNC(=O)COc2cccc(C(C)=O)c2)N(C)C)cc1 ZINC000002626570 204047016 /nfs/dbraw/zinc/04/70/16/204047016.db2.gz NQACFYVWZHUBQG-FQEVSTJZSA-N 0 3 370.449 2.696 50 0 FFAAHN CCCCN(C)CCNC(=O)[C@@H](NC(=O)C1CCC(C)CC1)C(C)C ZINC000003895659 204113482 /nfs/dbraw/zinc/11/34/82/204113482.db2.gz IWNHOHZUZOCUJC-ABHNRTSZSA-N 0 3 353.551 2.802 50 0 FFAAHN c1ccc2c(c1)OCCNCCOc1ccccc1OCCOCCO2 ZINC000004566150 204147586 /nfs/dbraw/zinc/14/75/86/204147586.db2.gz URMANSYGANHEJS-UHFFFAOYSA-N 0 3 359.422 2.522 50 0 FFAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000008726447 204341502 /nfs/dbraw/zinc/34/15/02/204341502.db2.gz SEQPYYBPTOYLSK-IBGZPJMESA-N 0 3 363.461 2.818 50 0 FFAAHN COc1ccc(CN(C[C@H](O)COCC(C)C)C[C@@H]2CCCO2)cc1 ZINC000036095275 205003350 /nfs/dbraw/zinc/00/33/50/205003350.db2.gz FBJRBSUXAZHVGD-ICSRJNTNSA-N 0 3 351.487 2.710 50 0 FFAAHN O=C(NCC1CCN(Cc2cccs2)CC1)[C@H]1COc2ccccc2O1 ZINC000038584518 205041270 /nfs/dbraw/zinc/04/12/70/205041270.db2.gz ZNTWDBLUIURDLW-LJQANCHMSA-N 0 3 372.490 2.916 50 0 FFAAHN CN(C)CCN(C)C(=O)c1csc(NC(=O)c2cccc(Cl)c2)n1 ZINC000040355262 205067061 /nfs/dbraw/zinc/06/70/61/205067061.db2.gz XTWVIUPOMBUQNW-UHFFFAOYSA-N 0 3 366.874 2.682 50 0 FFAAHN CCN(CC)CCNS(=O)(=O)c1cc(-c2onc(C)c2C)cs1 ZINC000044900942 205115318 /nfs/dbraw/zinc/11/53/18/205115318.db2.gz QXWLZEFFNCUEMI-UHFFFAOYSA-N 0 3 357.501 2.640 50 0 FFAAHN COC(=O)c1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000048340252 205159147 /nfs/dbraw/zinc/15/91/47/205159147.db2.gz LURXUNWUWZEGFI-SFHVURJKSA-N 0 3 353.422 2.869 50 0 FFAAHN CNC(=O)c1cccc(NC(=O)c2ccccc2OCCN(C)C)c1C ZINC000048326225 205158111 /nfs/dbraw/zinc/15/81/11/205158111.db2.gz DLIJBVPWPQJEHW-UHFFFAOYSA-N 0 3 355.438 2.547 50 0 FFAAHN CCOC(=O)c1[nH]c(C)c(CCC(=O)NCCN2CCCCCC2)c1C ZINC000046046066 205129848 /nfs/dbraw/zinc/12/98/48/205129848.db2.gz AWFIJQPCPGLEKV-UHFFFAOYSA-N 0 3 363.502 2.733 50 0 FFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-n2cccn2)ccn1 ZINC000085558284 205173617 /nfs/dbraw/zinc/17/36/17/205173617.db2.gz IOMHNTVNWKELOT-UHFFFAOYSA-N 0 3 361.449 2.662 50 0 FFAAHN COC(=O)C1=C(CN2CCCC[C@@H]2C)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318299 205182553 /nfs/dbraw/zinc/18/25/53/205182553.db2.gz STOBRSJMJNWINW-KSSFIOAISA-N 0 3 357.454 2.650 50 0 FFAAHN Cc1ccc([C@H](CNC(=O)c2ccc(Cn3cncn3)cc2)N(C)C)cc1 ZINC000058201632 205258834 /nfs/dbraw/zinc/25/88/34/205258834.db2.gz DZZSQXAGEWLDMC-FQEVSTJZSA-N 0 3 363.465 2.668 50 0 FFAAHN O=C(Nc1ccc(CCN2CCSCC2)cc1)NC1CCC(O)CC1 ZINC000061792656 205288602 /nfs/dbraw/zinc/28/86/02/205288602.db2.gz AFEHISQNPYDGQE-UHFFFAOYSA-N 0 3 363.527 2.703 50 0 FFAAHN C[C@@H]1CCCCN1CCNC(=O)c1cc2c(c3ccccc3oc2=O)n1C ZINC000064838979 205305382 /nfs/dbraw/zinc/30/53/82/205305382.db2.gz FGODRJCBVGSJFR-CQSZACIVSA-N 0 3 367.449 2.889 50 0 FFAAHN CN1CCC[C@@H]1CNC(=O)CCCOc1ccc(Br)cc1 ZINC000065588822 205360213 /nfs/dbraw/zinc/36/02/13/205360213.db2.gz JHRTVHGAKGHNCN-CQSZACIVSA-N 0 3 355.276 2.819 50 0 FFAAHN CCn1c(CC2CCN(Cc3ccc4occc4c3)CC2)nn(C)c1=O ZINC000065380607 205342107 /nfs/dbraw/zinc/34/21/07/205342107.db2.gz IXFBKGSNMYZKIR-UHFFFAOYSA-N 0 3 354.454 2.803 50 0 FFAAHN CC[C@@H](Nc1nc(N(C)C)nc2c1CCNC2)c1nc2cc(C)ccc2[nH]1 ZINC000067606035 205375769 /nfs/dbraw/zinc/37/57/69/205375769.db2.gz WYQRYYDXAIAUFF-CQSZACIVSA-N 0 3 365.485 2.936 50 0 FFAAHN CC[C@@H](Nc1nc(N(C)C)nc2c1CCNC2)c1nc2ccc(C)cc2[nH]1 ZINC000067606035 205375773 /nfs/dbraw/zinc/37/57/73/205375773.db2.gz WYQRYYDXAIAUFF-CQSZACIVSA-N 0 3 365.485 2.936 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N(C)[C@H](C)c3nccs3)cnn2c1 ZINC000067689360 205383380 /nfs/dbraw/zinc/38/33/80/205383380.db2.gz SQTKTVXYOYQGGK-CYBMUJFWSA-N 0 3 372.498 2.861 50 0 FFAAHN CCn1c(CC2CCN(Cc3cc4ccccc4[nH]3)CC2)nn(C)c1=O ZINC000067688403 205384703 /nfs/dbraw/zinc/38/47/03/205384703.db2.gz ZNTLAZBBRXDGTI-UHFFFAOYSA-N 0 3 353.470 2.538 50 0 FFAAHN O=C1N(CCC2CCCCC2)CCC[C@]1(O)CNCc1ccc(CO)cc1 ZINC000067726293 205387324 /nfs/dbraw/zinc/38/73/24/205387324.db2.gz PAMWDDHHIMIGLD-QFIPXVFZSA-N 0 3 374.525 2.592 50 0 FFAAHN O=C(Nc1ccnn1C1CCN(CCCO)CC1)c1ccccc1Cl ZINC000067965069 205405867 /nfs/dbraw/zinc/40/58/67/205405867.db2.gz BILRBECRQGKJKF-UHFFFAOYSA-N 0 3 362.861 2.808 50 0 FFAAHN C[C@H](C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1)N1CCN(C)CC1 ZINC000082107900 205644730 /nfs/dbraw/zinc/64/47/30/205644730.db2.gz IFCMWMXGCCRBGQ-CQSZACIVSA-N 0 3 367.896 2.967 50 0 FFAAHN CC[C@@H](C(=O)NC1CCCC1)n1ccc2ccc(C(=O)OC)cc2c1=O ZINC000095390687 205751459 /nfs/dbraw/zinc/75/14/59/205751459.db2.gz QCVJUAGZWSSYHU-KRWDZBQOSA-N 0 3 356.422 2.798 50 0 FFAAHN Cc1c(Cl)cc(C(=O)N2CCc3cc(C(N)=O)n(C)c3C2)cc1Cl ZINC000095391597 205751983 /nfs/dbraw/zinc/75/19/83/205751983.db2.gz HPUMEHZOIJWWCE-UHFFFAOYSA-N 0 3 366.248 2.938 50 0 FFAAHN COCCOC1CC[NH+]([C@H](C(=O)[O-])c2c(Cl)cccc2OC)CC1 ZINC000095389498 205752185 /nfs/dbraw/zinc/75/21/85/205752185.db2.gz FOGZNRGGSHUYPM-INIZCTEOSA-N 0 3 357.834 2.602 50 0 FFAAHN CC[C@H](C(=O)NC1CCCC1)n1ccc2ccc(C(=O)OC)cc2c1=O ZINC000095390688 205752264 /nfs/dbraw/zinc/75/22/64/205752264.db2.gz QCVJUAGZWSSYHU-QGZVFWFLSA-N 0 3 356.422 2.798 50 0 FFAAHN Cc1cc(C)nc(CCNC(=O)CN2CCC[C@@H](c3ccccc3)C2)n1 ZINC000095392773 205752291 /nfs/dbraw/zinc/75/22/91/205752291.db2.gz UTSZOEYGUVMRIY-LJQANCHMSA-N 0 3 352.482 2.632 50 0 FFAAHN CC(C)=CCN1CCN(Cc2cn(C)nc2-c2ccccc2)C[C@H]1CCO ZINC000104402265 206237508 /nfs/dbraw/zinc/23/75/08/206237508.db2.gz YSOFHABNTDTDOB-OAQYLSRUSA-N 0 3 368.525 2.922 50 0 FFAAHN CNC(=O)c1ccc(OC)c(NC(=O)N2CCCN(C3CCCC3)CC2)c1 ZINC000172463695 206282782 /nfs/dbraw/zinc/28/27/82/206282782.db2.gz QNFAUDUKIBYWBH-UHFFFAOYSA-N 0 3 374.485 2.537 50 0 FFAAHN COc1cc2nc(Cl)nc(N(C)C3CCN(C)CC3)c2cc1OC ZINC000011756891 206285452 /nfs/dbraw/zinc/28/54/52/206285452.db2.gz KFXWBIBNLIHVML-UHFFFAOYSA-N 0 3 350.850 2.831 50 0 FFAAHN Cc1cc(CN2CCc3[nH]nc([C@H]4COc5ccccc5O4)c3C2)n(C)n1 ZINC000019957076 206334047 /nfs/dbraw/zinc/33/40/47/206334047.db2.gz FFIGBVYGESHKFS-LJQANCHMSA-N 0 3 365.437 2.522 50 0 FFAAHN CN(C)CCOc1ccccc1-c1noc([C@@H]2CCc3cnn(C)c3C2)n1 ZINC000288969604 257242622 /nfs/dbraw/zinc/24/26/22/257242622.db2.gz HQXVTZPNVPXNCB-CQSZACIVSA-N 0 3 367.453 2.683 50 0 FFAAHN c1cc(N2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)ccn1 ZINC000077486625 132186964 /nfs/dbraw/zinc/18/69/64/132186964.db2.gz WVCBCNGHMZDACV-UHFFFAOYSA-N 0 3 352.486 2.988 50 0 FFAAHN FC(F)(F)c1nc2[nH]cnc2c(N2CCN(Cc3ccccc3)CC2)n1 ZINC000252536283 132293441 /nfs/dbraw/zinc/29/34/41/132293441.db2.gz IBMNRCBHMIMSAW-UHFFFAOYSA-N 0 3 362.359 2.694 50 0 FFAAHN OC1CCN(c2nc3cc(F)ccc3cc2CNC[C@@H]2CCCO2)CC1 ZINC000299777615 132299130 /nfs/dbraw/zinc/29/91/30/132299130.db2.gz FIKPAAYOIKREOR-SFHVURJKSA-N 0 3 359.445 2.604 50 0 FFAAHN CC[C@@H]1Oc2ccccc2N(CC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)C1=O ZINC000004078126 132386313 /nfs/dbraw/zinc/38/63/13/132386313.db2.gz MTUQHNGGEFFKKD-BQFCYCMXSA-N 0 3 373.497 2.570 50 0 FFAAHN O=C(C[C@@H]1C=CCC1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058201309 136130886 /nfs/dbraw/zinc/13/08/86/136130886.db2.gz PYVYXSBRPUXQEN-WOJBJXKFSA-N 0 3 368.525 2.799 50 0 FFAAHN O=C(/C=C/c1ccc2c(c1)OCO2)NCC1CCN(c2ccncc2)CC1 ZINC000070928632 136138498 /nfs/dbraw/zinc/13/84/98/136138498.db2.gz VTMPCCGSCSILQW-DUXPYHPUSA-N 0 3 365.433 2.856 50 0 FFAAHN CCc1cc(N2CCC([C@@H](C)N3CCOCC3)CC2)n2nc(C)c(C)c2n1 ZINC000072425624 136146511 /nfs/dbraw/zinc/14/65/11/136146511.db2.gz SROAJYAOLHIUSG-QGZVFWFLSA-N 0 3 371.529 2.846 50 0 FFAAHN CC(C)Nc1ncc(CN2CCCC23CCN(c2ncccn2)CC3)cn1 ZINC000072436089 136147343 /nfs/dbraw/zinc/14/73/43/136147343.db2.gz PFWIAZGFIURXJB-UHFFFAOYSA-N 0 3 367.501 2.722 50 0 FFAAHN O=C(NCc1ccncc1)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065255898 506275996 /nfs/dbraw/zinc/27/59/96/506275996.db2.gz CUBRHASYNVTUEG-HXUWFJFHSA-N 0 3 373.460 2.558 50 0 FFAAHN CN(C)[C@H](CNC[C@H](O)CO[C@@H]1CCCc2ccccc21)c1ccco1 ZINC000033015024 506324823 /nfs/dbraw/zinc/32/48/23/506324823.db2.gz IJMYRTHBCFPGLM-DFQSSKMNSA-N 0 3 358.482 2.927 50 0 FFAAHN CCc1cccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c1 ZINC000033326767 506354625 /nfs/dbraw/zinc/35/46/25/506354625.db2.gz KWEWOTPJONMIML-UHFFFAOYSA-N 0 3 368.485 2.768 50 0 FFAAHN CCN1CCC(NC(=O)CSc2nccn2-c2cccc(C)c2)CC1 ZINC000010888620 506756956 /nfs/dbraw/zinc/75/69/56/506756956.db2.gz JPIYYGBIDJZWJR-UHFFFAOYSA-N 0 3 358.511 2.873 50 0 FFAAHN O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)CNCc1ccccc1 ZINC000011934231 506803366 /nfs/dbraw/zinc/80/33/66/506803366.db2.gz QGKLTUMGWSEXQY-FQEVSTJZSA-N 0 3 360.404 2.608 50 0 FFAAHN C[C@H](C(=O)N(C)c1ccccc1)N1CCC(c2n[nH]c(C3CC3)n2)CC1 ZINC000067379261 506852504 /nfs/dbraw/zinc/85/25/04/506852504.db2.gz DABIFKYINYKMFA-CQSZACIVSA-N 0 3 353.470 2.913 50 0 FFAAHN C[C@H](C(=O)N(C)c1ccccc1)N1CCC(c2nc(C3CC3)n[nH]2)CC1 ZINC000067379261 506852511 /nfs/dbraw/zinc/85/25/11/506852511.db2.gz DABIFKYINYKMFA-CQSZACIVSA-N 0 3 353.470 2.913 50 0 FFAAHN CN(CCc1ccccn1)[C@@H]1CCN(C/C=C/c2ccccc2)C[C@H]1O ZINC000012448540 506865731 /nfs/dbraw/zinc/86/57/31/506865731.db2.gz RVZOILDTCIWIJN-FEQMTQHMSA-N 0 3 351.494 2.705 50 0 FFAAHN CN(C)CCN(C)c1ccc(-c2nc(COc3ccccc3)no2)cn1 ZINC000012752508 506895361 /nfs/dbraw/zinc/89/53/61/506895361.db2.gz FGWPMLFUTMDRAR-UHFFFAOYSA-N 0 3 353.426 2.708 50 0 FFAAHN CCN1CCC2(CC1)OCCCN2C(=O)c1ccc(Br)o1 ZINC000013691134 506951108 /nfs/dbraw/zinc/95/11/08/506951108.db2.gz FHMWHOHYSBHCGV-UHFFFAOYSA-N 0 3 357.248 2.717 50 0 FFAAHN CCc1ccc(CN2CCC[C@@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1 ZINC000015006842 507012007 /nfs/dbraw/zinc/01/20/07/507012007.db2.gz FGIQLZWTZXPTRQ-LJQANCHMSA-N 0 3 367.497 2.914 50 0 FFAAHN CCn1c(CC2CCN(c3ccnc4ccccc43)CC2)nn(C)c1=O ZINC000067895272 507045243 /nfs/dbraw/zinc/04/52/43/507045243.db2.gz WTGXRBNXQCVPRO-UHFFFAOYSA-N 0 3 351.454 2.609 50 0 FFAAHN COc1ccc2c(c1)C[C@H](C(=O)NCCCN(C)Cc1ccccc1)CO2 ZINC000015786246 507059578 /nfs/dbraw/zinc/05/95/78/507059578.db2.gz GRNDETHELNSENA-IBGZPJMESA-N 0 3 368.477 2.885 50 0 FFAAHN CC(=O)c1c(C)cc(C)c(CN2CCC3(CC2)C(=O)NCCCN3C)c1C ZINC000067946201 507062972 /nfs/dbraw/zinc/06/29/72/507062972.db2.gz MNQADCVWLHKKRI-UHFFFAOYSA-N 0 3 371.525 2.601 50 0 FFAAHN CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3C)C2)CC1 ZINC000068245534 507159430 /nfs/dbraw/zinc/15/94/30/507159430.db2.gz NYDGEZQQIMDHCY-QGZVFWFLSA-N 0 3 373.497 2.810 50 0 in-vitro FFAAHN Cc1cc(C)c(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)[nH]1 ZINC000020783077 507236417 /nfs/dbraw/zinc/23/64/17/507236417.db2.gz IQJKNGVENZIODS-UXHICEINSA-N 0 3 367.493 2.783 50 0 FFAAHN COc1cccc(CN2CCN(CCc3ccccc3)C[C@@H]2CCO)c1 ZINC000023360568 507347450 /nfs/dbraw/zinc/34/74/50/507347450.db2.gz JTSDTENKAGUQJI-NRFANRHFSA-N 0 3 354.494 2.807 50 0 FFAAHN COCc1cc(=O)[n-]c(-c2cccc(C[N@H+](C)CCC[C@@H]3CCCO3)c2)n1 ZINC000023581609 507361140 /nfs/dbraw/zinc/36/11/40/507361140.db2.gz MDIZBQXUXVGBAR-LJQANCHMSA-N 0 3 371.481 2.974 50 0 FFAAHN COCc1cc(=O)[n-]c(-c2cccc(C[N@@H+](C)CCC[C@@H]3CCCO3)c2)n1 ZINC000023581609 507361146 /nfs/dbraw/zinc/36/11/46/507361146.db2.gz MDIZBQXUXVGBAR-LJQANCHMSA-N 0 3 371.481 2.974 50 0 FFAAHN Cc1nn(C)c2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc12 ZINC000023735584 507369854 /nfs/dbraw/zinc/36/98/54/507369854.db2.gz AHLQEJJCWKYQIR-UHFFFAOYSA-N 0 3 363.465 2.671 50 0 FFAAHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C[C@@H](O)COc1ccccc1 ZINC000025233952 507478268 /nfs/dbraw/zinc/47/82/68/507478268.db2.gz CIDGMBODUSHFJI-VQIMIIECSA-N 0 3 352.438 2.700 50 0 FFAAHN CN1Cc2ccccc2C[C@@H]1Cn1ccnc1-c1ccccc1OCCO ZINC000071415640 507703030 /nfs/dbraw/zinc/70/30/30/507703030.db2.gz VCWYHUUCDRTVNV-LJQANCHMSA-N 0 3 363.461 2.978 50 0 FFAAHN O=C(NCCN1CCCCC1)c1cc(N2C[C@@H]3CC=CC[C@@H]3C2)ccn1 ZINC000071745461 507708641 /nfs/dbraw/zinc/70/86/41/507708641.db2.gz MYXWTWYTQNXZDW-HDICACEKSA-N 0 3 354.498 2.700 50 0 FFAAHN Cc1cc(C)n([C@@H]2CCN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)C2)n1 ZINC000072133252 507754792 /nfs/dbraw/zinc/75/47/92/507754792.db2.gz QOKJVKDETLREQC-LJQANCHMSA-N 0 3 365.481 2.745 50 0 FFAAHN CN1CCC(Cc2noc(-c3cn(CCCc4ccccc4)nn3)n2)CC1 ZINC000072151336 507760389 /nfs/dbraw/zinc/76/03/89/507760389.db2.gz JGFBONKNWGIIKC-UHFFFAOYSA-N 0 3 366.469 2.845 50 0 FFAAHN N[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)[C@H]1O ZINC000072158885 507764110 /nfs/dbraw/zinc/76/41/10/507764110.db2.gz MTCCIDQBDHGFPR-UXHICEINSA-N 0 3 361.445 2.716 50 0 FFAAHN CCC[C@@H](Nc1nc(-c2ccccn2)nc2c1CCNC2)c1nccn1C ZINC000072165510 507766883 /nfs/dbraw/zinc/76/68/83/507766883.db2.gz XFGLOJJHRSAWAE-MRXNPFEDSA-N 0 3 363.469 2.871 50 0 FFAAHN Cc1ccc([C@H]2CN(C(=O)c3ccc(N)nc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072168205 507768283 /nfs/dbraw/zinc/76/82/83/507768283.db2.gz XJSSRKSJDMYLJG-HMXCVIKNSA-N 0 3 362.477 2.675 50 0 FFAAHN CN(Cc1cc(C(C)(C)C)[nH]n1)c1nc(-c2ccncc2)nc2c1CNC2 ZINC000072166252 507768400 /nfs/dbraw/zinc/76/84/00/507768400.db2.gz UQGFAZVEEZGWEI-UHFFFAOYSA-N 0 3 363.469 2.799 50 0 FFAAHN Cc1ccccc1-c1nc(C(=O)N(CCN(C)C)CCN(C)C)cs1 ZINC000072255161 507771856 /nfs/dbraw/zinc/77/18/56/507771856.db2.gz LDUWPWUUJVWHPM-UHFFFAOYSA-N 0 3 360.527 2.684 50 0 FFAAHN Cc1cc(CN(C)c2nc(-c3ccco3)nc3c2CCN(C)CC3)on1 ZINC000072421116 507787034 /nfs/dbraw/zinc/78/70/34/507787034.db2.gz HYBXLYFPRPAZKQ-UHFFFAOYSA-N 0 3 353.426 2.700 50 0 FFAAHN CN1CCC(N2CCC[C@H]2c2ncnn2C2Cc3ccccc3C2)CC1 ZINC000091586138 507993825 /nfs/dbraw/zinc/99/38/25/507993825.db2.gz GILBLZGCTCSHBD-FQEVSTJZSA-N 0 3 351.498 2.849 50 0 FFAAHN Cc1cc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)c(=O)[nH]c1C ZINC000091695235 508003020 /nfs/dbraw/zinc/00/30/20/508003020.db2.gz UZBBZYMJRHEUCC-UHFFFAOYSA-N 0 3 365.477 2.655 50 0 FFAAHN CCOc1cccc(C(=O)N2CCC(c3nccn3CCN(C)C)CC2)c1 ZINC000092064780 508039231 /nfs/dbraw/zinc/03/92/31/508039231.db2.gz XPBYTIOIKLNGTF-UHFFFAOYSA-N 0 3 370.497 2.863 50 0 FFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2cccc(F)c2F)C1 ZINC000095360076 508176337 /nfs/dbraw/zinc/17/63/37/508176337.db2.gz GFAYKHQZDBQDHD-AWEZNQCLSA-N 0 3 362.424 2.743 50 0 FFAAHN O=C(NCCN1CCc2ccccc21)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000095368330 508177638 /nfs/dbraw/zinc/17/76/38/508177638.db2.gz XURGKDPHEKBRQZ-GOSISDBHSA-N 0 3 353.466 2.671 50 0 FFAAHN c1csc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000095367303 508177870 /nfs/dbraw/zinc/17/78/70/508177870.db2.gz MUKZTKWQLWRHAV-BMGDILEWSA-N 0 3 355.463 2.938 50 0 FFAAHN CC[C@H](NC(=O)C1CCN(Cc2ccco2)CC1)c1cn2cccnc2n1 ZINC000095380813 508181644 /nfs/dbraw/zinc/18/16/44/508181644.db2.gz MBIHUWKUKYBIAZ-KRWDZBQOSA-N 0 3 367.453 2.802 50 0 FFAAHN CC(C)Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)on1 ZINC000095388370 508182644 /nfs/dbraw/zinc/18/26/44/508182644.db2.gz AWDOHUJXCWGEAZ-MAUKXSAKSA-N 0 3 361.486 2.589 50 0 FFAAHN Cc1c(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)ccc2cncn21 ZINC000095465207 508187152 /nfs/dbraw/zinc/18/71/52/508187152.db2.gz IBRSYEGAXFTIME-IYBDPMFKSA-N 0 3 370.497 2.604 50 0 FFAAHN Cc1ccc([C@@H]2CN(C(=O)c3scc4c3OCCO4)C[C@H]2N(C)C)cc1 ZINC000095520183 508194655 /nfs/dbraw/zinc/19/46/55/508194655.db2.gz NRLNJAVKWSOMOG-JKSUJKDBSA-N 0 3 372.490 2.998 50 0 FFAAHN O[C@@H]1CN(Cc2ccccc2)CCN(Cc2ccc(OC(F)F)cc2)C1 ZINC000095522025 508194684 /nfs/dbraw/zinc/19/46/84/508194684.db2.gz LPZSJYXNZOCMFN-GOSISDBHSA-N 0 3 362.420 2.967 50 0 FFAAHN Cc1nc2ncccn2c1C(=O)N1C[C@@H](c2ccc(C)cc2)[C@H](N(C)C)C1 ZINC000095522133 508195017 /nfs/dbraw/zinc/19/50/17/508195017.db2.gz FGNQXGRZJPOHGI-ZWKOTPCHSA-N 0 3 363.465 2.516 50 0 FFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000095528009 508196601 /nfs/dbraw/zinc/19/66/01/508196601.db2.gz XEYAHABWVKPLMS-SFHVURJKSA-N 0 3 355.486 2.534 50 0 FFAAHN Cc1ccccc1C(=O)NC1CCN(CCC(=O)N2CCCCC2)CC1 ZINC000095951884 508199301 /nfs/dbraw/zinc/19/93/01/508199301.db2.gz JOMMDXLHQBQJDB-UHFFFAOYSA-N 0 3 357.498 2.592 50 0 FFAAHN CSCCc1nc([C@@H]2C[C@@H](O)CN2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000096133692 508207756 /nfs/dbraw/zinc/20/77/56/508207756.db2.gz FHONNSYNXNFHDX-MFKMUULPSA-N 0 3 373.309 2.875 50 0 FFAAHN Fc1ccccc1-n1nc(COc2ccccc2)nc1C[C@@H]1CNCCO1 ZINC000096153290 508208612 /nfs/dbraw/zinc/20/86/12/508208612.db2.gz PRLXKLSKXDZETL-MRXNPFEDSA-N 0 3 368.412 2.516 50 0 FFAAHN Cc1cc(C)n(-c2cccc(C(=O)N(CCN(C)C)C[C@@H]3CCCO3)c2)n1 ZINC000096165278 508209714 /nfs/dbraw/zinc/20/97/14/508209714.db2.gz NDSQQTHHKRDOBM-FQEVSTJZSA-N 0 3 370.497 2.672 50 0 FFAAHN c1ccc(CN2CCC(N3CCN(Cc4ccccn4)CC3)CC2)cc1 ZINC000096402915 508214480 /nfs/dbraw/zinc/21/44/80/508214480.db2.gz PYZJKEUEIGGIEL-UHFFFAOYSA-N 0 3 350.510 2.864 50 0 FFAAHN CN(C(=O)c1cnc(-c2ccncc2)nc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000097259288 508222443 /nfs/dbraw/zinc/22/24/43/508222443.db2.gz SHMNIQTUCCTOAJ-FQEVSTJZSA-N 0 3 373.460 2.885 50 0 FFAAHN Cc1ccc(-c2ccccc2CN2CCCN([C@H]3COC[C@@H]3O)CC2)o1 ZINC000097259355 508222624 /nfs/dbraw/zinc/22/26/24/508222624.db2.gz GJXOWCPPKLQVSD-PMACEKPBSA-N 0 3 356.466 2.522 50 0 FFAAHN COc1c(C)cc(C)cc1CN1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082098217 508225508 /nfs/dbraw/zinc/22/55/08/508225508.db2.gz DNPQDRDNNJSIAY-QFIPXVFZSA-N 0 3 374.525 2.899 50 0 FFAAHN CN(C)Cc1csc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)[O-])C3)CC2)c1 ZINC000097522187 508225881 /nfs/dbraw/zinc/22/58/81/508225881.db2.gz KAKZRSPWHSDMEH-MRXNPFEDSA-N 0 3 365.543 2.571 50 0 FFAAHN CN(C)Cc1csc(CN2CCC([N@H+]3CCC[C@@H](C(=O)[O-])C3)CC2)c1 ZINC000097522187 508225885 /nfs/dbraw/zinc/22/58/85/508225885.db2.gz KAKZRSPWHSDMEH-MRXNPFEDSA-N 0 3 365.543 2.571 50 0 FFAAHN Cc1cc(NCc2cc3n(n2)CCCN(C2CCCCC2)C3)nc(N)n1 ZINC000082121023 508226086 /nfs/dbraw/zinc/22/60/86/508226086.db2.gz GGBOSGQYBOHXRA-UHFFFAOYSA-N 0 3 355.490 2.714 50 0 FFAAHN Cc1nccn1CC1(CNC(=O)CCc2nc3ccc(F)cc3[nH]2)CC1 ZINC000097569039 508226666 /nfs/dbraw/zinc/22/66/66/508226666.db2.gz UIEMUXYUAYTCHQ-UHFFFAOYSA-N 0 3 355.417 2.736 50 0 FFAAHN CN1CCN([C@H]2CCN(Cc3nc(-c4ccc(F)cc4)cs3)C2)CC1 ZINC000097610079 508226808 /nfs/dbraw/zinc/22/68/08/508226808.db2.gz OJBNOGNQVGVJCC-KRWDZBQOSA-N 0 3 360.502 2.771 50 0 FFAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2nn(C)c3c2CCCC3)C1 ZINC000097694623 508228094 /nfs/dbraw/zinc/22/80/94/508228094.db2.gz MBFVIPCJDHTLCG-QGZVFWFLSA-N 0 3 366.509 2.827 50 0 FFAAHN Cc1nc(C[C@H]2CNCCO2)n(-c2nc3ccccc3n2CCC(C)C)n1 ZINC000097674428 508228310 /nfs/dbraw/zinc/22/83/10/508228310.db2.gz ZQOLUYPEPJNXHJ-INIZCTEOSA-N 0 3 368.485 2.502 50 0 FFAAHN COc1cccc([C@@H]2CCN(Cc3cccc(OCC(N)=O)c3)C2)c1OC ZINC000097698758 508228773 /nfs/dbraw/zinc/22/87/73/508228773.db2.gz LYRSJRNXFJPEQI-MRXNPFEDSA-N 0 3 370.449 2.557 50 0 FFAAHN CC(C)Oc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)cc1 ZINC000077470590 508320046 /nfs/dbraw/zinc/32/00/46/508320046.db2.gz MERQPEJZBUULJR-OAQYLSRUSA-N 0 3 360.498 2.671 50 0 FFAAHN O=C(CCSCc1ccccc1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1 ZINC000222908055 509326369 /nfs/dbraw/zinc/32/63/69/509326369.db2.gz ZRLOXECIAKLARJ-GSEOLPGOSA-N 0 3 360.523 2.678 50 0 FFAAHN C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1C[C@H](C)C[C@@H](C)C1 ZINC000229704990 509430183 /nfs/dbraw/zinc/43/01/83/509430183.db2.gz JUOQKGNWVQVFCM-IJLUTSLNSA-N 0 3 371.403 2.525 50 0 FFAAHN CN1CCN(CCc2cccc(F)c2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000230206473 509435373 /nfs/dbraw/zinc/43/53/73/509435373.db2.gz MVIFNEPMZBOCBT-JOCHJYFZSA-N 0 3 373.516 2.777 50 0 FFAAHN CN(Cc1ccc([S@@](C)=O)cc1)C1CCN(C(=O)c2ccco2)CC1 ZINC000170602803 509677290 /nfs/dbraw/zinc/67/72/90/509677290.db2.gz QNFHEDFNAVXSLX-RUZDIDTESA-N 0 3 360.479 2.754 50 0 FFAAHN C[C@H]1CN(Cc2ccccc2CNCc2cccc(C(N)=O)c2)C[C@H](C)O1 ZINC000237623098 509693686 /nfs/dbraw/zinc/69/36/86/509693686.db2.gz KPEGKQMEQPOXLY-IRXDYDNUSA-N 0 3 367.493 2.685 50 0 FFAAHN COc1ccc(NC(=O)CCN2CC(N3CCCC[C@H]3C)C2)c(OC)c1 ZINC000244602082 509861170 /nfs/dbraw/zinc/86/11/70/509861170.db2.gz DXEAVBRTOJZCFU-OAHLLOKOSA-N 0 3 361.486 2.591 50 0 FFAAHN O=C(Nc1cccc(-n2cccn2)c1)N1CCCO[C@H](CN2CCCC2)C1 ZINC000299757907 511670643 /nfs/dbraw/zinc/67/06/43/511670643.db2.gz IGWHTHORBUHZQG-LJQANCHMSA-N 0 3 369.469 2.591 50 0 FFAAHN Cc1cc(NC(=O)NCCN2CCC[C@@H](CO)C2)n(C2CCCCC2)n1 ZINC000299775140 511675488 /nfs/dbraw/zinc/67/54/88/511675488.db2.gz HTRSJEUMMJRYCD-MRXNPFEDSA-N 0 3 363.506 2.523 50 0 FFAAHN COCCN(Cc1c(C)nn(C)c1C)C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000299773475 511675835 /nfs/dbraw/zinc/67/58/35/511675835.db2.gz CGIYWVHUIOZMBM-GOSISDBHSA-N 0 3 370.497 2.538 50 0 FFAAHN CC(C)[C@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1ncnn1C ZINC000299778806 511677693 /nfs/dbraw/zinc/67/76/93/511677693.db2.gz OJXYBTMGCURVHE-FQEVSTJZSA-N 0 3 369.513 2.931 50 0 FFAAHN O=C(CN1C[C@@H]2CC[C@H]1C2)N1CCC(c2nc3cc(F)ccc3[nH]2)CC1 ZINC000299789271 511682457 /nfs/dbraw/zinc/68/24/57/511682457.db2.gz YPSYSXCLXSNUNM-CJNGLKHVSA-N 0 3 356.445 2.892 50 0 FFAAHN Cc1cccc([C@H]2CCCN(C(=O)NCCCN3CCC(O)CC3)C2)c1 ZINC000426470540 513949044 /nfs/dbraw/zinc/94/90/44/513949044.db2.gz GQZVBKZECWJGHU-IBGZPJMESA-N 0 3 359.514 2.731 50 0 FFAAHN CN1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)CC1 ZINC000426479083 513951869 /nfs/dbraw/zinc/95/18/69/513951869.db2.gz YBFHSUBBWSOTNO-FQEVSTJZSA-N 0 3 358.530 2.951 50 0 FFAAHN Cc1ccc(-c2ccc(C(=O)N3CCC[C@@](O)(CN(C)C)C3)cc2)cn1 ZINC000426640600 514002165 /nfs/dbraw/zinc/00/21/65/514002165.db2.gz YCZNAZHEHCPUJW-OAQYLSRUSA-N 0 3 353.466 2.586 50 0 FFAAHN CN(CCc1ccccn1)C(=O)NCCN1CC[C@@H](c2ccccc2)C1 ZINC000426677985 514014117 /nfs/dbraw/zinc/01/41/17/514014117.db2.gz JOWHXUPPEPHUPS-LJQANCHMSA-N 0 3 352.482 2.755 50 0 FFAAHN Cn1cc(CNC(=O)NC[C@H]2CCN2C2CCCCC2)c(C(F)(F)F)n1 ZINC000527823006 517935507 /nfs/dbraw/zinc/93/55/07/517935507.db2.gz IWMGCDCHAYQXGQ-CQSZACIVSA-N 0 3 373.423 2.645 50 0 FFAAHN CC[C@@H](CNC(=O)N1CC(Oc2ccccc2OC)C1)N1CCCCC1 ZINC000534646463 517981151 /nfs/dbraw/zinc/98/11/51/517981151.db2.gz ZSKILQDDLOAWQD-INIZCTEOSA-N 0 3 361.486 2.732 50 0 FFAAHN C[C@H]1CCCCN1C1CN(C(=O)NCc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC000534665525 517993094 /nfs/dbraw/zinc/99/30/94/517993094.db2.gz QRYFEEPUQMREPT-ZDUSSCGKSA-N 0 3 372.444 2.848 50 0 FFAAHN CCn1ncc(CN2CCC3(CC2)C[C@@H](Cc2nc(C)no2)CCO3)c1C ZINC000575544252 518229699 /nfs/dbraw/zinc/22/96/99/518229699.db2.gz GOAXZMVNCINMPS-QGZVFWFLSA-N 0 3 373.501 2.907 50 0 FFAAHN CCCN1CCCn2nc(CNC(=O)CCc3ccccc3F)cc2C1 ZINC000082138375 519854834 /nfs/dbraw/zinc/85/48/34/519854834.db2.gz JUJVUEDGMXXJKF-UHFFFAOYSA-N 0 3 358.461 2.887 50 0 FFAAHN CCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2ccccn2)CC1 ZINC000091693604 523208707 /nfs/dbraw/zinc/20/87/07/523208707.db2.gz IVRQSLBZZHAGLG-UHFFFAOYSA-N 0 3 365.485 2.626 50 0 FFAAHN Cc1cc(C(=O)NCCN2CCC[C@H](c3ccccc3)C2)c(=O)[nH]c1C ZINC000091643611 526267265 /nfs/dbraw/zinc/26/72/65/526267265.db2.gz SFWULJRVTINHKX-SFHVURJKSA-N 0 3 353.466 2.601 50 0 FFAAHN Cc1nn(Cc2ccccc2Cl)c(C)c1CNC[C@H]1CN(C)CCO1 ZINC000105471791 570872950 /nfs/dbraw/zinc/87/29/50/570872950.db2.gz IUFNBZMXSIAEGA-KRWDZBQOSA-N 0 3 362.905 2.622 50 0 FFAAHN C[C@H](NCCn1cnc2ccccc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000084651623 571094852 /nfs/dbraw/zinc/09/48/52/571094852.db2.gz VMZBKTRMTMNXEG-HNNXBMFYSA-N 0 3 372.494 2.637 50 0 FFAAHN CCN(C(=O)CN[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C)C1CC1 ZINC000084761097 571099466 /nfs/dbraw/zinc/09/94/66/571099466.db2.gz YBCDKMMXDFEMFI-IBGZPJMESA-N 0 3 355.523 2.916 50 0 FFAAHN Cc1ccc2oc(CN3CCC[C@H](CN(C)S(C)(=O)=O)C3)cc2c1 ZINC000585084548 845948405 /nfs/dbraw/zinc/94/84/05/845948405.db2.gz SQUPQQKHAPBGJR-OAHLLOKOSA-N 0 3 350.484 2.845 50 0 FFAAHN O=C1Nc2ccccc2C12CCN(C[C@@H]1COc3ccccc3O1)CC2 ZINC000072119560 976189075 /nfs/dbraw/zinc/18/90/75/976189075.db2.gz WOJLWNWGXTZZHH-OAHLLOKOSA-N 0 3 350.418 2.812 50 0 FFAAHN O=C(c1cc(COc2ccccc2)n[nH]1)N1CCN(C2CCCC2)CC1 ZINC000012299941 988496795 /nfs/dbraw/zinc/49/67/95/988496795.db2.gz NAHZCQYCGXLHIU-UHFFFAOYSA-N 0 3 354.454 2.689 50 0 FFAAHN CCc1nc(C)c(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)[nH]1 ZINC000012301730 988512720 /nfs/dbraw/zinc/51/27/20/988512720.db2.gz WYFLPNKAPXOAGS-KRWDZBQOSA-N 0 3 362.518 2.568 50 0 FFAAHN Cc1cccnc1CN(C)C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000012306658 988518707 /nfs/dbraw/zinc/51/87/07/988518707.db2.gz IFYALVVXITWIEL-NRFANRHFSA-N 0 3 371.456 2.515 50 0 FFAAHN CC[C@H](Cc1ccco1)N1CCOC2(CCN(C(=O)c3ccon3)CC2)C1 ZINC000822628708 998916470 /nfs/dbraw/zinc/91/64/70/998916470.db2.gz GBSFBYUDCZVIQA-MRXNPFEDSA-N 0 3 373.453 2.596 50 0 FFAAHN COc1ccccc1-c1cccc(C(=O)NCCN2CCC[C@H](CO)C2)c1 ZINC000828711118 999579302 /nfs/dbraw/zinc/57/93/02/999579302.db2.gz GOCMXHFYGYOWBL-KRWDZBQOSA-N 0 3 368.477 2.796 50 0 FFAAHN O=C(c1ccccn1)N1CC(N(Cc2ccccc2)C2CCOCC2)C1 ZINC000581794594 999946770 /nfs/dbraw/zinc/94/67/70/999946770.db2.gz HEQZPQQTHOTUAJ-UHFFFAOYSA-N 0 3 351.450 2.587 50 0 FFAAHN O=C(c1ccco1)N1CCC[C@H](NCc2cc3ccccc3[nH]c2=O)C1 ZINC000952964097 1011013121 /nfs/dbraw/zinc/01/31/21/1011013121.db2.gz NBZGWYIVEOZWLI-INIZCTEOSA-N 0 3 351.406 2.928 50 0 FFAAHN O=C(CN1CCCCCC1)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000952978955 1011024214 /nfs/dbraw/zinc/02/42/14/1011024214.db2.gz WIEWIYPNXCZICI-UHFFFAOYSA-N 0 3 357.498 2.805 50 0 FFAAHN Cc1cc(C)c2[nH]c(=O)c(CN3CCC[C@@H](N4CCCC4=O)C3)cc2c1 ZINC000071760689 1019682176 /nfs/dbraw/zinc/68/21/76/1019682176.db2.gz QYFSNVKPPLASKV-GOSISDBHSA-N 0 3 353.466 2.732 50 0 FFAAHN C/C=C/CN1CCCn2nc(CN3CCC[C@@H](Cn4ccnc4)C3)cc2C1 ZINC000229722285 1030099280 /nfs/dbraw/zinc/09/92/80/1030099280.db2.gz WHVVAHVHIQNPBU-LSTKMXGYSA-N 0 3 368.529 2.774 50 0 FFAAHN CCN(CC)C[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC001506415160 1059505064 /nfs/dbraw/zinc/50/50/64/1059505064.db2.gz WJVFKSLOEIZJKK-ZDUSSCGKSA-N 0 3 360.907 2.844 50 0 FFAAHN CN(C)c1ccc(CN2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)cn1 ZINC001529167686 1062196324 /nfs/dbraw/zinc/19/63/24/1062196324.db2.gz PWQFMTFFRWPRIA-WIYYLYMNSA-N 0 3 362.477 2.731 50 0 FFAAHN OC[C@@]1(Cc2ccccc2)CN(CCCOc2ccc(F)cc2)CC[C@@H]1O ZINC001529174888 1062201316 /nfs/dbraw/zinc/20/13/16/1062201316.db2.gz XXLMBSUBGPJAJJ-FCHUYYIVSA-N 0 3 373.468 2.883 50 0 FFAAHN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNC2CCCCC2)cc1 ZINC000002655738 204049845 /nfs/dbraw/zinc/04/98/45/204049845.db2.gz XBLMVLOPYWJLHU-UHFFFAOYSA-N 0 3 367.515 2.578 50 0 FFAAHN COc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1 ZINC000004744379 204160202 /nfs/dbraw/zinc/16/02/02/204160202.db2.gz XCBHYDPDIJQQGM-UHFFFAOYSA-N 0 3 352.500 2.580 50 0 in-vitro FFAAHN CN(C)CCCn1cnc2c(c1=N)[C@H](c1ccco1)c1ccc(O)cc1O2 ZINC000005345631 204205004 /nfs/dbraw/zinc/20/50/04/204205004.db2.gz AYOVFZCAQSBOLU-KRWDZBQOSA-N 0 3 366.421 2.899 50 0 FFAAHN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCCN(C)C)c1C ZINC000006804987 204271413 /nfs/dbraw/zinc/27/14/13/204271413.db2.gz HRBUVHOMGBIFHZ-UHFFFAOYSA-N 0 3 371.481 2.626 50 0 FFAAHN CCOc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000010544010 204398497 /nfs/dbraw/zinc/39/84/97/204398497.db2.gz AEHVMHFHDPUJSZ-HZPDHXFCSA-N 0 3 354.516 2.732 50 0 FFAAHN Cn1ncc2c1CCC[C@H]2NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000031662104 204919387 /nfs/dbraw/zinc/91/93/87/204919387.db2.gz QJDWXNHSBPJTOC-LJQANCHMSA-N 0 3 367.497 2.761 50 0 FFAAHN CC(=O)c1ccc(NC(=O)NC[C@H](CN(C)C)[C@@H](O)c2ccccc2)cc1 ZINC000036396675 205016504 /nfs/dbraw/zinc/01/65/04/205016504.db2.gz JUGHORUXXYPYQE-QUCCMNQESA-N 0 3 369.465 2.922 50 0 FFAAHN Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCCN(C)CC1)nnc2C ZINC000036646268 205020271 /nfs/dbraw/zinc/02/02/71/205020271.db2.gz QOUXBVBKGVIZPU-UHFFFAOYSA-N 0 3 350.470 2.883 50 0 FFAAHN CCC(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCCN(C)C)cc1 ZINC000037279270 205025191 /nfs/dbraw/zinc/02/51/91/205025191.db2.gz CMNJXNXGCGNRQO-UHFFFAOYSA-N 0 3 367.493 2.850 50 0 FFAAHN C[C@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)N1CCCN(C)CC1 ZINC000039978276 205048136 /nfs/dbraw/zinc/04/81/36/205048136.db2.gz 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/nfs/dbraw/zinc/25/69/97/205256997.db2.gz CAEFMVREOBQSIA-BEFAXECRSA-N 0 3 372.490 2.916 50 0 FFAAHN C[C@@H](CNC(=O)Nc1cc(Cl)ccc1Cl)CN1CCN(C)CC1 ZINC000058197452 205259030 /nfs/dbraw/zinc/25/90/30/205259030.db2.gz OAVYZMFVOQHKBQ-LBPRGKRZSA-N 0 3 359.301 2.998 50 0 FFAAHN CCN1CCN(CCCCNC(=O)N(C)[C@H](C)c2ccccc2F)CC1 ZINC000058268464 205269162 /nfs/dbraw/zinc/26/91/62/205269162.db2.gz ARRVWLOVDZHFEK-QGZVFWFLSA-N 0 3 364.509 2.946 50 0 FFAAHN O=C(NCCN1CCCCC1)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000058407170 205274067 /nfs/dbraw/zinc/27/40/67/205274067.db2.gz WUJTVDNPLZLECG-OAHLLOKOSA-N 0 3 366.456 2.576 50 0 FFAAHN O=C(CCCNC(=O)c1ccc(Cl)cc1)N1CCCN(C2CC2)CC1 ZINC000058403089 205274200 /nfs/dbraw/zinc/27/42/00/205274200.db2.gz LUTHOTSBNYRSBF-UHFFFAOYSA-N 0 3 363.889 2.547 50 0 FFAAHN CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)c1cc2n(n1)CCCNC2 ZINC000065431230 205350340 /nfs/dbraw/zinc/35/03/40/205350340.db2.gz NFZGDLSXZVGDAD-OAQYLSRUSA-N 0 3 352.482 2.816 50 0 FFAAHN 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N[C@H](CC(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1)c1ccccc1 ZINC000163346750 251185321 /nfs/dbraw/zinc/18/53/21/251185321.db2.gz FVJWGUWNBIQELS-QGZVFWFLSA-N 0 3 364.449 2.583 50 0 FFAAHN CN(C)CCN1C[C@]2(CCCN(c3ccc(Cl)cn3)C2)CCC1=O ZINC000072426004 136146440 /nfs/dbraw/zinc/14/64/40/136146440.db2.gz CLEZDSGYKOXRNR-GOSISDBHSA-N 0 3 350.894 2.506 50 0 FFAAHN COc1ccc(CN2CCC(C(=O)NCc3ccccn3)CC2)cc1OC ZINC000001179411 506253907 /nfs/dbraw/zinc/25/39/07/506253907.db2.gz WVYBJPLUPNKSPB-UHFFFAOYSA-N 0 3 369.465 2.627 50 0 FFAAHN Cn1cc(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)cn1 ZINC000002763699 506291534 /nfs/dbraw/zinc/29/15/34/506291534.db2.gz WZRFYSOUZAOYGL-UHFFFAOYSA-N 0 3 352.442 2.508 50 0 FFAAHN COc1ccc(NC(=O)NC[C@@H](CN(C)C)[C@@H](O)c2ccccc2)cc1 ZINC000032912633 506311445 /nfs/dbraw/zinc/31/14/45/506311445.db2.gz GLYAEXXHNZLCCY-LPHOPBHVSA-N 0 3 357.454 2.728 50 0 FFAAHN COc1cc(/C=C/C(=O)NCCN2CCC[C@@H](C)C2)cc(OC)c1OC ZINC000039563627 506455032 /nfs/dbraw/zinc/45/50/32/506455032.db2.gz 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/nfs/dbraw/zinc/86/64/00/506866400.db2.gz GXSLDJBEWBAXJS-QGZVFWFLSA-N 0 3 368.506 2.762 50 0 FFAAHN Cc1cc(N2CCN(Cc3cccc4ccccc43)CC2)n2ncnc2n1 ZINC000012901122 506914112 /nfs/dbraw/zinc/91/41/12/506914112.db2.gz RDYAFVCQALAIOW-UHFFFAOYSA-N 0 3 358.449 2.908 50 0 FFAAHN COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000013648266 506949204 /nfs/dbraw/zinc/94/92/04/506949204.db2.gz ORHAKAAOTKMOJM-HUUCEWRRSA-N 0 3 354.516 2.650 50 0 FFAAHN CC(C)CN1C(=O)N(C)C(=O)C12CCN(Cc1ccc(F)c(F)c1)CC2 ZINC000014533737 506994696 /nfs/dbraw/zinc/99/46/96/506994696.db2.gz PBVDQUDSLXQJHD-UHFFFAOYSA-N 0 3 365.424 2.849 50 0 FFAAHN O=C(CCNC(=O)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000015582682 507049400 /nfs/dbraw/zinc/04/94/00/507049400.db2.gz HRKOJSLWPYJDQU-UHFFFAOYSA-N 0 3 365.477 2.587 50 0 FFAAHN Cc1c[nH]c(-c2c(-c3ccccc3)ncn2CCN2CCC[C@@H](O)C2)n1 ZINC000067920217 507052239 /nfs/dbraw/zinc/05/22/39/507052239.db2.gz IISHLAZPPRUPGD-QGZVFWFLSA-N 0 3 351.454 2.705 50 0 FFAAHN CN(Cc1cc(C(=O)N(C)C[C@]2(C)CCN(C)C2)no1)Cc1ccccc1 ZINC000067934515 507056809 /nfs/dbraw/zinc/05/68/09/507056809.db2.gz JAQQSNSPRJIDNU-OAQYLSRUSA-N 0 3 370.497 2.720 50 0 FFAAHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1CCc1ccccc1 ZINC000018240828 507148496 /nfs/dbraw/zinc/14/84/96/507148496.db2.gz VHFORPFEKISBNE-FQEVSTJZSA-N 0 3 361.445 2.670 50 0 FFAAHN COc1cccc2c1OCC(CN1CCN(CCC(C)C)[C@@H](CCO)C1)=C2 ZINC000019229273 507160752 /nfs/dbraw/zinc/16/07/52/507160752.db2.gz AKWDAVHUMIQZIO-FQEVSTJZSA-N 0 3 374.525 2.886 50 0 FFAAHN O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000019372189 507169598 /nfs/dbraw/zinc/16/95/98/507169598.db2.gz NXNXWPXLMBHHLK-UHFFFAOYSA-N 0 3 367.449 2.562 50 0 FFAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)n1 ZINC000021795025 507269105 /nfs/dbraw/zinc/26/91/05/507269105.db2.gz IFWVANAPEYDWSL-UHFFFAOYSA-N 0 3 374.876 2.859 50 0 FFAAHN COC(=O)c1ccc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)cc1 ZINC000023128399 507332079 /nfs/dbraw/zinc/33/20/79/507332079.db2.gz RQCLKZXUMUEKHI-NRFANRHFSA-N 0 3 374.525 2.922 50 0 FFAAHN CCn1c(CC2CCN(Cc3ccc4ccccc4n3)CC2)n[nH]c1=O ZINC000071749418 507710318 /nfs/dbraw/zinc/71/03/18/507710318.db2.gz JLMWTJZYMWCYTI-UHFFFAOYSA-N 0 3 351.454 2.594 50 0 FFAAHN NC1(C(=O)N2CCO[C@H](CC(c3ccccc3)c3ccccc3)C2)CC1 ZINC000071767789 507714496 /nfs/dbraw/zinc/71/44/96/507714496.db2.gz NEIIWNUJYWJKHF-LJQANCHMSA-N 0 3 350.462 2.927 50 0 FFAAHN Cc1noc(C)c1CS(=O)(=O)C(C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000071853555 507720868 /nfs/dbraw/zinc/72/08/68/507720868.db2.gz DXGIUDVSWIIBQE-IUODEOHRSA-N 0 3 364.467 2.515 50 0 FFAAHN COc1ccccc1[C@@H]1CN(c2nccnc2C)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072151777 507761424 /nfs/dbraw/zinc/76/14/24/507761424.db2.gz PBJZQZHVZBIBGN-DFQSSKMNSA-N 0 3 350.466 2.860 50 0 FFAAHN c1c(CN2CCC[C@@H](c3nc4ccccc4s3)C2)nn2c1CNCC2 ZINC000072157410 507764603 /nfs/dbraw/zinc/76/46/03/507764603.db2.gz JCILESXWFOFKSJ-CQSZACIVSA-N 0 3 353.495 2.976 50 0 FFAAHN Cc1ccc([C@H]2CN(C(=O)c3cncnc3C)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072169152 507768741 /nfs/dbraw/zinc/76/87/41/507768741.db2.gz BOKUJHJHZCHWES-NJDAHSKKSA-N 0 3 362.477 2.796 50 0 FFAAHN C[C@@H](C1CCN(C(=O)Cc2cc(F)cc(Cl)c2)CC1)N1CCOCC1 ZINC000072423750 507787785 /nfs/dbraw/zinc/78/77/85/507787785.db2.gz LAQYBJUMWHYMTD-AWEZNQCLSA-N 0 3 368.880 2.981 50 0 FFAAHN Cc1cc(Cl)ccc1OCC(=O)NCc1c(C)ncc2c1CCNC2 ZINC000072425683 507788383 /nfs/dbraw/zinc/78/83/83/507788383.db2.gz UIYCBZMKQCZKPF-UHFFFAOYSA-N 0 3 359.857 2.693 50 0 FFAAHN O=C(CCc1cc2n(n1)CCCNC2)NCc1csc2c1CCCC2 ZINC000072433114 507790161 /nfs/dbraw/zinc/79/01/61/507790161.db2.gz YJFAXOKHGHOBBT-UHFFFAOYSA-N 0 3 358.511 2.566 50 0 FFAAHN COc1cc(OC)cc(C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000029838857 507792226 /nfs/dbraw/zinc/79/22/26/507792226.db2.gz KDLRLDTUFUFUAE-UHFFFAOYSA-N 0 3 354.450 2.882 50 0 FFAAHN Cc1c(Cl)c(C(=O)N(Cc2ccncc2)C2CCN(C)CC2)nn1C ZINC000072469201 507794777 /nfs/dbraw/zinc/79/47/77/507794777.db2.gz BUJZOFVDVAUBAD-UHFFFAOYSA-N 0 3 361.877 2.514 50 0 FFAAHN Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(Cc2ccccn2)C1 ZINC000072475248 507795015 /nfs/dbraw/zinc/79/50/15/507795015.db2.gz QQFOAFCEZCZSRA-KRWDZBQOSA-N 0 3 354.502 2.576 50 0 FFAAHN CC[C@@H](C)Oc1ccccc1CNC(=O)CCc1cc2n(n1)CCCNC2 ZINC000072473963 507795705 /nfs/dbraw/zinc/79/57/05/507795705.db2.gz NHPVDCZGJGTFGF-MRXNPFEDSA-N 0 3 370.497 2.803 50 0 FFAAHN Cc1ccc([C@H]2CN(C(=O)c3ccc4nc(C)c(C)nc4c3)C[C@@H]2N)o1 ZINC000091304205 507979047 /nfs/dbraw/zinc/97/90/47/507979047.db2.gz FTMLXAMGTQPJEM-HOTGVXAUSA-N 0 3 350.422 2.715 50 0 FFAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1cc(CC)no1)CC2 ZINC000091444777 507986252 /nfs/dbraw/zinc/98/62/52/507986252.db2.gz IAHSULSVGISVQN-UHFFFAOYSA-N 0 3 371.485 2.750 50 0 FFAAHN O=C(N[C@@H]1CNCC[C@H]1O)c1cc(-c2ccco2)nc2c(Cl)cccc12 ZINC000091693605 508002870 /nfs/dbraw/zinc/00/28/70/508002870.db2.gz XNPFAOXRECSQKI-HZPDHXFCSA-N 0 3 371.824 2.601 50 0 FFAAHN CCCC[C@H](N)C(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000091755791 508008776 /nfs/dbraw/zinc/00/87/76/508008776.db2.gz XLXJYGCOUXJJQD-IBGZPJMESA-N 0 3 371.525 2.935 50 0 FFAAHN CCCC[C@H](N)C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1 ZINC000091808789 508015059 /nfs/dbraw/zinc/01/50/59/508015059.db2.gz CRXKGKFBBXZPIX-SFHVURJKSA-N 0 3 355.486 2.550 50 0 FFAAHN CCCn1ncc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H](N(C)C)C2)c1C ZINC000095354965 508174727 /nfs/dbraw/zinc/17/47/27/508174727.db2.gz HDBXOARSSQIEMT-VQTJNVASSA-N 0 3 370.497 2.780 50 0 FFAAHN Cc1nccn1Cc1nnc([C@@H]2CCCN(Cc3ccccc3F)C2)n1C ZINC000095364271 508177139 /nfs/dbraw/zinc/17/71/39/508177139.db2.gz LVZIBSZNDDRXCC-QGZVFWFLSA-N 0 3 368.460 2.887 50 0 FFAAHN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)s1 ZINC000095378827 508180706 /nfs/dbraw/zinc/18/07/06/508180706.db2.gz JJWMRVACLFMXCF-OAHLLOKOSA-N 0 3 361.515 2.538 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)N3CCCC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095383269 508181208 /nfs/dbraw/zinc/18/12/08/508181208.db2.gz PMROGJAHZRCQAD-XUVXKRRUSA-N 0 3 355.482 2.773 50 0 FFAAHN O=C(CCCc1cn[nH]c1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095384284 508181842 /nfs/dbraw/zinc/18/18/42/508181842.db2.gz OXDXLTFNZCPSJF-WOJBJXKFSA-N 0 3 352.482 2.855 50 0 FFAAHN CCN1CC[C@@]2(CN(Cc3cc4ccccc4o3)CCN2C)CCC1=O ZINC000095384719 508181935 /nfs/dbraw/zinc/18/19/35/508181935.db2.gz GURAWIGVWPPOPE-OAQYLSRUSA-N 0 3 355.482 2.951 50 0 FFAAHN Cc1ccccc1NC(=O)CN(C)C1CCN(CCc2ccncc2)CC1 ZINC000095459784 508186368 /nfs/dbraw/zinc/18/63/68/508186368.db2.gz RFZCWQJFJOKLTR-UHFFFAOYSA-N 0 3 366.509 2.967 50 0 FFAAHN CN1CCN([C@@H]2CCCCN(C(=O)Nc3cc(F)cc(F)c3)C2)CC1 ZINC000095453997 508186704 /nfs/dbraw/zinc/18/67/04/508186704.db2.gz WGBNPIOHTRMBAD-QGZVFWFLSA-N 0 3 352.429 2.599 50 0 FFAAHN CCCN1CCCN(C(=O)C(=O)Nc2cccc(SC(F)F)c2)CC1 ZINC000095461180 508187199 /nfs/dbraw/zinc/18/71/99/508187199.db2.gz VFUPHKHWFIKZPT-UHFFFAOYSA-N 0 3 371.453 2.884 50 0 FFAAHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000095499950 508190658 /nfs/dbraw/zinc/19/06/58/508190658.db2.gz CCAOUDIZCOTGRX-QGZVFWFLSA-N 0 3 357.458 2.651 50 0 FFAAHN Cc1cccc(OCC(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)c1 ZINC000095507204 508192004 /nfs/dbraw/zinc/19/20/04/508192004.db2.gz FFXYSRGZPOLXEB-GOSISDBHSA-N 0 3 370.497 2.538 50 0 FFAAHN COc1cccc(-c2ccc(NC(=O)N3C[C@H](N(C)C)C[C@H]3CO)cc2)c1 ZINC000095512040 508193094 /nfs/dbraw/zinc/19/30/94/508193094.db2.gz RSSSXQQNSJMSCA-MOPGFXCFSA-N 0 3 369.465 2.891 50 0 FFAAHN O[C@H](COc1cccc(CN2CCC2)c1)CN1CCc2ccccc2C1 ZINC000095525219 508195723 /nfs/dbraw/zinc/19/57/23/508195723.db2.gz WYZFQEUBGAQTOK-NRFANRHFSA-N 0 3 352.478 2.690 50 0 FFAAHN O=c1n(CCCNCc2ccc(Cl)cc2Cl)nc2n1CCCC2 ZINC000095946616 508198679 /nfs/dbraw/zinc/19/86/79/508198679.db2.gz CATOIBNTACVOJX-UHFFFAOYSA-N 0 3 355.269 2.868 50 0 FFAAHN CN1C[C@H]2C[N@H+](Cc3ccccc3OCc3ccccc3)C[C@@]2(C(=O)[O-])C1 ZINC000096180581 508209669 /nfs/dbraw/zinc/20/96/69/508209669.db2.gz CBKSDDMIVDFDSI-UGKGYDQZSA-N 0 3 366.461 2.714 50 0 FFAAHN CN1C[C@H]2C[N@@H+](Cc3ccccc3OCc3ccccc3)C[C@@]2(C(=O)[O-])C1 ZINC000096180581 508209671 /nfs/dbraw/zinc/20/96/71/508209671.db2.gz CBKSDDMIVDFDSI-UGKGYDQZSA-N 0 3 366.461 2.714 50 0 FFAAHN CCN1CCN(Cc2ccc(NC(=O)c3ccc(COC)o3)cc2)CC1 ZINC000097327252 508223382 /nfs/dbraw/zinc/22/33/82/508223382.db2.gz FYXJGAMKOWIWKJ-UHFFFAOYSA-N 0 3 357.454 2.816 50 0 FFAAHN O=C1CC[C@]2(CCCN(Cc3ccc4ncccc4c3)C2)CN1CCCO ZINC000082109235 508225829 /nfs/dbraw/zinc/22/58/29/508225829.db2.gz WAULGNYXBAWXQP-QFIPXVFZSA-N 0 3 367.493 2.822 50 0 FFAAHN CN1CCCC[C@H]1C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 ZINC000082121422 508225987 /nfs/dbraw/zinc/22/59/87/508225987.db2.gz GZSAJUPZMRCOGR-FQEVSTJZSA-N 0 3 373.545 2.522 50 0 FFAAHN CCN1C[C@]2(CCCN(C(=O)C3(N4CCCC4)CCCC3)C2)CCC1=O ZINC000082109529 508226001 /nfs/dbraw/zinc/22/60/01/508226001.db2.gz BORUNAXUQORTEC-FQEVSTJZSA-N 0 3 361.530 2.646 50 0 FFAAHN O=C1CC[C@]2(CCCN(Cc3ccccc3Cl)C2)CN1CCCO ZINC000082115719 508226143 /nfs/dbraw/zinc/22/61/43/508226143.db2.gz YTECSDZSZUAUJO-IBGZPJMESA-N 0 3 350.890 2.927 50 0 FFAAHN C[C@@H](C1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1)N1CCN(C)CC1 ZINC000082171037 508227587 /nfs/dbraw/zinc/22/75/87/508227587.db2.gz OSEFNJAHBMSDFO-AWEZNQCLSA-N 0 3 367.896 2.967 50 0 FFAAHN C[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccccc1-c1nc[nH]n1 ZINC000097681850 508227889 /nfs/dbraw/zinc/22/78/89/508227889.db2.gz OUSUVSRNHNQYRB-HNNXBMFYSA-N 0 3 361.449 2.648 50 0 FFAAHN C[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccccc1-c1nnc[nH]1 ZINC000097681850 508227891 /nfs/dbraw/zinc/22/78/91/508227891.db2.gz OUSUVSRNHNQYRB-HNNXBMFYSA-N 0 3 361.449 2.648 50 0 FFAAHN Cc1ccccc1[C@@H](CNC(=O)c1cnc(-c2cccnc2)nc1)N(C)C ZINC000097716929 508229012 /nfs/dbraw/zinc/22/90/12/508229012.db2.gz JJHDXUZZLBTTDP-LJQANCHMSA-N 0 3 361.449 2.880 50 0 FFAAHN CC(=O)c1cccc(NC(=O)N2CC[C@@H](OCCN3CCCCC3)C2)c1 ZINC000083862085 508259226 /nfs/dbraw/zinc/25/92/26/508259226.db2.gz PEFAPXMMPSSLFW-LJQANCHMSA-N 0 3 359.470 2.998 50 0 FFAAHN CCn1c2ccccc2nc1CN1CCN(CCC(C)C)[C@H](CCO)C1 ZINC000076915979 508261799 /nfs/dbraw/zinc/26/17/99/508261799.db2.gz KIZJTCXRQASHCF-GOSISDBHSA-N 0 3 358.530 2.971 50 0 FFAAHN CN(C)CCN(C)C(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C ZINC000077355681 508304419 /nfs/dbraw/zinc/30/44/19/508304419.db2.gz SUVAIOJRKAPHAQ-UHFFFAOYSA-N 0 3 371.872 2.922 50 0 FFAAHN Cn1ccnc1C(=O)[C@@H]1CCCN(Cc2ccccc2Cn2cccn2)C1 ZINC000077458430 508319394 /nfs/dbraw/zinc/31/93/94/508319394.db2.gz FYFXDLNMXQJJMH-LJQANCHMSA-N 0 3 363.465 2.760 50 0 FFAAHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000154181091 508731874 /nfs/dbraw/zinc/73/18/74/508731874.db2.gz QKGWLAWLIAGMMX-GOSISDBHSA-N 0 3 355.486 2.560 50 0 FFAAHN O=C(Nc1ccc(F)cc1F)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCCC1 ZINC000220563686 509302673 /nfs/dbraw/zinc/30/26/73/509302673.db2.gz KZISUFQQFHJLCI-VJUNAUMWSA-N 0 3 351.397 2.728 50 0 FFAAHN CCc1ccc(S(=O)(=O)NCC2CCN([C@H]3CCSC3)CC2)s1 ZINC000225572662 509378015 /nfs/dbraw/zinc/37/80/15/509378015.db2.gz LGTSPZFAGRVEJO-AWEZNQCLSA-N 0 3 374.597 2.806 50 0 FFAAHN C[C@H]1C[C@@H]1c1ccc(CN(C)C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)o1 ZINC000225811219 509390137 /nfs/dbraw/zinc/39/01/37/509390137.db2.gz RWCYVBIUJOGGJB-FGTCXIJOSA-N 0 3 356.470 2.788 50 0 FFAAHN CCCOc1ccccc1CN1CCN(C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000230119920 509433048 /nfs/dbraw/zinc/43/30/48/509433048.db2.gz XMPNKPWSGURSOS-OAQYLSRUSA-N 0 3 359.514 2.604 50 0 FFAAHN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C[C@@H](N)c3ccccc3)C2)n1 ZINC000237742538 509724236 /nfs/dbraw/zinc/72/42/36/509724236.db2.gz IUQLQRNNNNEDFV-ZWKOTPCHSA-N 0 3 366.465 2.657 50 0 FFAAHN CCN1CCC[C@@H](NC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)C1 ZINC000252458400 509837530 /nfs/dbraw/zinc/83/75/30/509837530.db2.gz FKTSDRWPQUKSPJ-NVXWUHKLSA-N 0 3 364.921 2.950 50 0 FFAAHN CC(C)(C)c1oc(C(N)=O)cc1CN1CCN(C2CCSCC2)CC1 ZINC000244748568 509869613 /nfs/dbraw/zinc/86/96/13/509869613.db2.gz OJVFPPRTSZNXBO-UHFFFAOYSA-N 0 3 365.543 2.689 50 0 FFAAHN Cc1cc(C)n([C@@H]2CCN(CCN3CCN(Cc4ccccc4)CC3)C2)n1 ZINC000244828583 509872292 /nfs/dbraw/zinc/87/22/92/509872292.db2.gz TYVIYZJNUBKAKU-JOCHJYFZSA-N 0 3 367.541 2.565 50 0 FFAAHN Fc1cccc(-c2nnc(CN3CCN(C4CCSCC4)CC3)o2)c1 ZINC000244828593 509872367 /nfs/dbraw/zinc/87/23/67/509872367.db2.gz TYZPHKQHLFRRSI-UHFFFAOYSA-N 0 3 362.474 2.889 50 0 FFAAHN CCOc1ccccc1C(=O)N1CCC(CN2CCN(C)C[C@H]2C)CC1 ZINC000244986071 509877963 /nfs/dbraw/zinc/87/79/63/509877963.db2.gz JEBJEDKODQJJDB-QGZVFWFLSA-N 0 3 359.514 2.573 50 0 FFAAHN Cc1nnc([C@H]2CN(C(=O)c3cccc(Cl)c3)CC23CCN(C)CC3)o1 ZINC000257174899 509944062 /nfs/dbraw/zinc/94/40/62/509944062.db2.gz LTPVJRHGFMENSZ-MRXNPFEDSA-N 0 3 374.872 2.983 50 0 FFAAHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cn(C(C)(C)C)nn1 ZINC000191547923 510716350 /nfs/dbraw/zinc/71/63/50/510716350.db2.gz OFBSONLKBGVNPB-QGZVFWFLSA-N 0 3 370.501 2.555 50 0 FFAAHN Cc1cccn2c(CC(=O)N[C@@H](C)CN3CCc4ccccc4C3)cnc12 ZINC000299777889 511677243 /nfs/dbraw/zinc/67/72/43/511677243.db2.gz FYHWECSBZCVCMT-KRWDZBQOSA-N 0 3 362.477 2.748 50 0 FFAAHN CCc1cc(C(=O)NCCN2CC[C@@H](c3ccccc3C)C2)cc(=O)[nH]1 ZINC000299777062 511677851 /nfs/dbraw/zinc/67/78/51/511677851.db2.gz IFGUBJQBNUJMIH-MRXNPFEDSA-N 0 3 353.466 2.877 50 0 FFAAHN CN1C[C@H](NC(=O)Nc2ccc(OCc3cccs3)cc2)C[C@H]1CO ZINC000299783398 511679006 /nfs/dbraw/zinc/67/90/06/511679006.db2.gz XUUDDCUWYNQTJO-CABCVRRESA-N 0 3 361.467 2.514 50 0 FFAAHN O=C(NC[C@@H]1CNCCO1)Nc1ccccc1OCCCc1ccccc1 ZINC000299797893 511685482 /nfs/dbraw/zinc/68/54/82/511685482.db2.gz CVNBOMMYEYYGMQ-SFHVURJKSA-N 0 3 369.465 2.808 50 0 FFAAHN O=C(NC1CCN(Cc2cccs2)CC1)[C@H]1CC(=O)Nc2ccccc21 ZINC000368803333 513109105 /nfs/dbraw/zinc/10/91/05/513109105.db2.gz XCDUGGUHJHHJEE-KRWDZBQOSA-N 0 3 369.490 2.955 50 0 FFAAHN CC(C)Nc1cc(-c2ccc(C(=O)N(C)[C@@H]3CCN(C)C3)cc2)ncn1 ZINC000426444886 513942783 /nfs/dbraw/zinc/94/27/83/513942783.db2.gz IBXCEDKBKXKHKR-QGZVFWFLSA-N 0 3 353.470 2.740 50 0 FFAAHN CCC[C@@H](NC(=O)N1CCN(C)C2(CCN(C)CC2)C1)c1ccccc1 ZINC000426470811 513949185 /nfs/dbraw/zinc/94/91/85/513949185.db2.gz LUCLSESLSNULDO-LJQANCHMSA-N 0 3 358.530 2.949 50 0 FFAAHN O=C(NCc1cc2cc(F)ccc2[nH]1)N1CCCO[C@H](CN2CCCC2)C1 ZINC000426493359 513957502 /nfs/dbraw/zinc/95/75/02/513957502.db2.gz ZVNFBECDDMWAOG-GOSISDBHSA-N 0 3 374.460 2.703 50 0 FFAAHN CC(=O)c1sccc1-c1ccc(C(=O)NC[C@H]2COCCN(C)C2)cc1 ZINC000426530617 513971432 /nfs/dbraw/zinc/97/14/32/513971432.db2.gz VWVBLXYJYGPXQJ-OAHLLOKOSA-N 0 3 372.490 2.926 50 0 FFAAHN COCCN1CCC[C@H](CN(C)C(=O)NCc2ccc3[nH]c(C)cc3c2)C1 ZINC000426563433 513980970 /nfs/dbraw/zinc/98/09/70/513980970.db2.gz UJWQLLXVHUBVCX-GOSISDBHSA-N 0 3 372.513 2.976 50 0 FFAAHN CC(C)(C)c1cc(CNC(=O)N2CCN(CCc3ccccc3)CC2)n[nH]1 ZINC000426563036 513981006 /nfs/dbraw/zinc/98/10/06/513981006.db2.gz FKZRWVCILFHRHL-UHFFFAOYSA-N 0 3 369.513 2.777 50 0 FFAAHN Cc1cccc(CNC(=O)N2CCCC[C@@H]2CCN2CCN(C)CC2)c1 ZINC000426656815 514007292 /nfs/dbraw/zinc/00/72/92/514007292.db2.gz BCQLYUKSCYFZIV-HXUWFJFHSA-N 0 3 358.530 2.697 50 0 FFAAHN O=C(NCCN1CCCC1)c1cccc(-c2ccc3[nH]c(CO)nc3c2)c1 ZINC000534592173 517956936 /nfs/dbraw/zinc/95/69/36/517956936.db2.gz HBKOCRWIYMTIRZ-UHFFFAOYSA-N 0 3 364.449 2.548 50 0 FFAAHN O=C(NCCN1CCCC1)c1cccc(-c2ccc3nc(CO)[nH]c3c2)c1 ZINC000534592173 517956946 /nfs/dbraw/zinc/95/69/46/517956946.db2.gz HBKOCRWIYMTIRZ-UHFFFAOYSA-N 0 3 364.449 2.548 50 0 FFAAHN COCc1noc(C[C@@H]2CCOC3(CCN(Cc4cccnc4)CC3)C2)n1 ZINC000575545658 518230045 /nfs/dbraw/zinc/23/00/45/518230045.db2.gz LTVXXHYYBQNEOS-INIZCTEOSA-N 0 3 372.469 2.615 50 0 FFAAHN CN(CC1CCN(CCO)CC1)C(=O)NC1(c2ccccc2Cl)CC1 ZINC000584890985 518525564 /nfs/dbraw/zinc/52/55/64/518525564.db2.gz OQRXPDHIVIPNHV-UHFFFAOYSA-N 0 3 365.905 2.675 50 0 FFAAHN Cc1nc2cc(CNC(=O)N3CCC(N4CCSCC4)CC3)ccc2[nH]1 ZINC000584896303 518527376 /nfs/dbraw/zinc/52/73/76/518527376.db2.gz VZPWRHGBIKGLBR-UHFFFAOYSA-N 0 3 373.526 2.594 50 0 FFAAHN Cc1nc2ccc(CNC(=O)N3CCC(N4CCSCC4)CC3)cc2[nH]1 ZINC000584896303 518527383 /nfs/dbraw/zinc/52/73/83/518527383.db2.gz VZPWRHGBIKGLBR-UHFFFAOYSA-N 0 3 373.526 2.594 50 0 FFAAHN CC(C)N1CCN(Cc2cnn(-c3cccc(Cl)c3)c2)C[C@@H]1CCO ZINC000020598894 519682836 /nfs/dbraw/zinc/68/28/36/519682836.db2.gz MOIKBLKKCAKJBH-IBGZPJMESA-N 0 3 362.905 2.803 50 0 FFAAHN CCNc1ncc(CN2C[C@H]3CC[C@@H]2CN(Cc2c(C)noc2C)C3)cn1 ZINC000091616540 520370067 /nfs/dbraw/zinc/37/00/67/520370067.db2.gz GPUSZBAQJVXOGZ-FUHWJXTLSA-N 0 3 370.501 2.610 50 0 FFAAHN COc1cc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)cc(OC)c1 ZINC000020451030 522382518 /nfs/dbraw/zinc/38/25/18/522382518.db2.gz IJQVASIHVDLMAO-IBGZPJMESA-N 0 3 362.514 2.905 50 0 FFAAHN CCn1c(Cn2ccnc2)nnc1C1CCN(Cc2ccc(C)o2)CC1 ZINC000091621542 523204424 /nfs/dbraw/zinc/20/44/24/523204424.db2.gz OVFQMNSKBYCNFX-UHFFFAOYSA-N 0 3 354.458 2.824 50 0 FFAAHN COc1ccc(CCC(=O)N2CCC([C@@H](C)N3CCN(C)CC3)CC2)cc1 ZINC000082097107 523916851 /nfs/dbraw/zinc/91/68/51/523916851.db2.gz AAWFTKPYHQJRKD-GOSISDBHSA-N 0 3 373.541 2.502 50 0 FFAAHN CN1CCN2CCN(Cc3ccccc3OCc3ccccc3)C[C@H]2C1 ZINC000244858487 523931901 /nfs/dbraw/zinc/93/19/01/523931901.db2.gz VMCOBNFWJVQFFZ-OAQYLSRUSA-N 0 3 351.494 2.697 50 0 FFAAHN O=C(c1cc(-c2ccsc2)[nH]n1)N1CCCC[C@H]1CCN1CCOCC1 ZINC000082121383 526597678 /nfs/dbraw/zinc/59/76/78/526597678.db2.gz FSANNKHTRWACBA-INIZCTEOSA-N 0 3 374.510 2.855 50 0 FFAAHN c1nc(N2CCOCC2)sc1CN1CCCN(Cc2ccccc2)CC1 ZINC000089834946 526600069 /nfs/dbraw/zinc/60/00/69/526600069.db2.gz ITJZZUQBXFEUDH-UHFFFAOYSA-N 0 3 372.538 2.688 50 0 FFAAHN CCN(CCN(C)C)Cc1cc2cc(C)ccc2nc1N1CCC[C@H](O)C1 ZINC000072478287 535728802 /nfs/dbraw/zinc/72/88/02/535728802.db2.gz OXVHFAUTDLRMSZ-FQEVSTJZSA-N 0 3 370.541 2.888 50 0 FFAAHN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@H]1CN1CCC[C@H]1CO ZINC000108139958 570903158 /nfs/dbraw/zinc/90/31/58/570903158.db2.gz NGFYISOJHIRCQV-XIRDDKMYSA-N 0 3 366.889 2.555 50 0 FFAAHN C[C@@H](N[C@@H]1CCCC[C@@H]1CC1N=NC(=O)N1C)c1cc2n(n1)CCCC2 ZINC000685940460 571099693 /nfs/dbraw/zinc/09/96/93/571099693.db2.gz BBEOACXMSSZWAE-IIAWOOMASA-N 0 3 358.490 2.506 50 0 FFAAHN c1cc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)ccn1 ZINC000072145549 571172962 /nfs/dbraw/zinc/17/29/62/571172962.db2.gz BLJVBYYSCMRZQZ-STZQEDGTSA-N 0 3 363.461 2.873 50 0 FFAAHN Cc1ncsc1CN1CCC2(CC1)C[C@H](CC(=O)N(C)C)CCO2 ZINC000581786534 845944141 /nfs/dbraw/zinc/94/41/41/845944141.db2.gz YEGQFPXMPVSIQW-HNNXBMFYSA-N 0 3 351.516 2.691 50 0 FFAAHN COc1ccc(-c2nc(CN3CC[C@H](CN4CCOCC4)C3)co2)cc1 ZINC000129545210 1013303912 /nfs/dbraw/zinc/30/39/12/1013303912.db2.gz QATAQRFVISBJDZ-MRXNPFEDSA-N 0 3 357.454 2.504 50 0 FFAAHN CCC[C@@H](C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1)N(C)C ZINC000152691515 987424564 /nfs/dbraw/zinc/42/45/64/987424564.db2.gz JHOOPBSJNGAOAN-SFHVURJKSA-N 0 3 367.497 2.523 50 0 FFAAHN Cc1cccnc1CN(C)C[C@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000012318466 988554528 /nfs/dbraw/zinc/55/45/28/988554528.db2.gz SUSWXLWWZXMFOM-OAQYLSRUSA-N 0 3 371.456 2.515 50 0 FFAAHN CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cc(C)nn2CC)C1 ZINC000012435393 989426588 /nfs/dbraw/zinc/42/65/88/989426588.db2.gz MEZYHWKKTYVPRV-GOSISDBHSA-N 0 3 355.486 2.733 50 0 FFAAHN COc1cccc(-c2nn3c(nnc3C3CCN(C)CC3)s2)c1OC ZINC000824521334 999226714 /nfs/dbraw/zinc/22/67/14/999226714.db2.gz HDQQYMKNFVGFPD-UHFFFAOYSA-N 0 3 359.455 2.679 50 0 FFAAHN COc1cc(C(=O)NC[C@H]2CCCN(Cc3cccc(F)c3)C2)ccn1 ZINC000824852242 999276071 /nfs/dbraw/zinc/27/60/71/999276071.db2.gz YJRQDNDOTRCJMM-MRXNPFEDSA-N 0 3 357.429 2.871 50 0 FFAAHN CSc1ncccc1C(=O)N1CCC2(CC1)CN(CC(C)C)CCO2 ZINC000824959196 999283796 /nfs/dbraw/zinc/28/37/96/999283796.db2.gz LRACJWHSDHDQQQ-UHFFFAOYSA-N 0 3 363.527 2.767 50 0 FFAAHN CCN1CC2(CCN(Cc3ccc(Cn4cccn4)cc3)CC2)OC1=O ZINC000072473638 1019903061 /nfs/dbraw/zinc/90/30/61/1019903061.db2.gz ALTYBFCANJQWSK-UHFFFAOYSA-N 0 3 354.454 2.738 50 0 FFAAHN Cn1c2ccccc2nc1CN1CC[C@@]2(C1)CCCN(CC1CC1)C2=O ZINC000015062910 1021785270 /nfs/dbraw/zinc/78/52/70/1021785270.db2.gz QNUYCFXYRJGLBH-OAQYLSRUSA-N 0 3 352.482 2.798 50 0 FFAAHN COc1cccc2c1OC[C@@H](N1CCCN(Cc3ccncc3)CC1)C2 ZINC000020783406 1022611549 /nfs/dbraw/zinc/61/15/49/1022611549.db2.gz DBYYYKLORXFVQK-IBGZPJMESA-N 0 3 353.466 2.602 50 0 FFAAHN COCCSc1nnc(NC(=O)[C@@H](C)N(C)C2CCCCC2)s1 ZINC001506401256 1059493490 /nfs/dbraw/zinc/49/34/90/1059493490.db2.gz CGBFNJCZBLQIRB-LLVKDONJSA-N 0 3 358.533 2.868 50 0 FFAAHN O=C(Cc1ccccc1)N1CCC2(CC1)CN(C1CCSCC1)CCO2 ZINC001506419978 1059510024 /nfs/dbraw/zinc/51/00/24/1059510024.db2.gz OZYBAXMFNFJNBY-UHFFFAOYSA-N 0 3 374.550 2.818 50 0 FFAAHN Cc1ccc(F)cc1C(=O)NCC1CCN(Cc2cc(=O)[nH]c(C)n2)CC1 ZINC001506422218 1059511280 /nfs/dbraw/zinc/51/12/80/1059511280.db2.gz POYZCTLWYMTYRE-UHFFFAOYSA-N 0 3 372.444 2.580 50 0 FFAAHN COc1cc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H]([NH+](C)C)C[C@@H]3C2)cc(OC)c1[O-] ZINC001529144070 1062187072 /nfs/dbraw/zinc/18/70/72/1062187072.db2.gz GYOLDSOEMMHECL-SDSIWUNFSA-N 0 3 362.470 2.600 50 0 FFAAHN Cc1cc(C[C@@H]2CN(Cc3cc4cc(C)cc(C)c4[nH]c3=O)C[C@H]2O)on1 ZINC001529168106 1062198819 /nfs/dbraw/zinc/19/88/19/1062198819.db2.gz VUOATUXJBSDQIN-VQIMIIECSA-N 0 3 367.449 2.889 50 0 FFAAHN COc1ccc(CCN(C)Cc2cc(=O)n3cc(C)ccc3n2)cc1OC ZINC000007390246 204297079 /nfs/dbraw/zinc/29/70/79/204297079.db2.gz HCPFMBKHTPSBNV-UHFFFAOYSA-N 0 3 367.449 2.695 50 0 FFAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000008726449 204341556 /nfs/dbraw/zinc/34/15/56/204341556.db2.gz SEQPYYBPTOYLSK-LJQANCHMSA-N 0 3 363.461 2.818 50 0 FFAAHN COc1cc(C(=O)NCc2ccccc2CN(C)C)cc(OC)c1OC ZINC000009917185 204385732 /nfs/dbraw/zinc/38/57/32/204385732.db2.gz NJMXXUUZVHUFPF-UHFFFAOYSA-N 0 3 358.438 2.704 50 0 FFAAHN COc1cc(CC(=O)NCc2ccccc2CN(C)C)cc(OC)c1OC ZINC000009917186 204386200 /nfs/dbraw/zinc/38/62/00/204386200.db2.gz CEXZVRZUAKEEOV-UHFFFAOYSA-N 0 3 372.465 2.633 50 0 FFAAHN COCCCN(Cc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000036095470 205003458 /nfs/dbraw/zinc/00/34/58/205003458.db2.gz VDLHVUYKXRXITE-SFHVURJKSA-N 0 3 351.418 2.835 50 0 FFAAHN Cc1ccccc1OC[C@@H](O)CN1CCC(NC(=O)c2ccccc2)CC1 ZINC000040023674 205050338 /nfs/dbraw/zinc/05/03/38/205050338.db2.gz QJNYYWWOFONMPL-FQEVSTJZSA-N 0 3 368.477 2.629 50 0 FFAAHN C[C@H]1CCCN(CCNC(=O)c2ccc(I)cc2)C1 ZINC000040107559 205055325 /nfs/dbraw/zinc/05/53/25/205055325.db2.gz STMIGBBSIQHNCI-LBPRGKRZSA-N 0 3 372.250 2.753 50 0 FFAAHN CC[C@H](C)[C@H](N)C(=O)N1CCC(Cn2cc(C3CCCCC3)nn2)CC1 ZINC000048315014 205157627 /nfs/dbraw/zinc/15/76/27/205157627.db2.gz HIEANZAFUTZACS-KXBFYZLASA-N 0 3 361.534 2.938 50 0 FFAAHN COC(=O)C1=C(CN2CCC[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318301 205182026 /nfs/dbraw/zinc/18/20/26/205182026.db2.gz NREHERHYQVONSZ-KBXCAEBGSA-N 0 3 357.454 2.508 50 0 FFAAHN CSc1ccc2c(C)cc(NCCN3CCC[C@@H](C(N)=O)C3)nc2c1 ZINC000055042260 205205510 /nfs/dbraw/zinc/20/55/10/205205510.db2.gz MIPXQBHFHNGNAP-CQSZACIVSA-N 0 3 358.511 2.874 50 0 FFAAHN CCCS(=O)(=O)C(C)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000055108861 205207076 /nfs/dbraw/zinc/20/70/76/205207076.db2.gz BRYGATUXCQQDEI-CYBMUJFWSA-N 0 3 364.467 2.747 50 0 FFAAHN CCCSc1ncc(CNCCc2nc(-c3ccccn3)no2)cn1 ZINC000055169078 205210304 /nfs/dbraw/zinc/21/03/04/205210304.db2.gz CLPOEVVPIQGSER-UHFFFAOYSA-N 0 3 356.455 2.756 50 0 FFAAHN COc1ccc(C)cc1[C@H](C(=O)[O-])[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000055244656 205211035 /nfs/dbraw/zinc/21/10/35/205211035.db2.gz BGJANONNGQHWKL-LJQANCHMSA-N 0 3 355.438 2.737 50 0 FFAAHN COc1ccc(C)cc1[C@H](C(=O)[O-])[N@H+]1CCCN(c2ccncc2)CC1 ZINC000055244656 205211039 /nfs/dbraw/zinc/21/10/39/205211039.db2.gz BGJANONNGQHWKL-LJQANCHMSA-N 0 3 355.438 2.737 50 0 FFAAHN Cc1ccc(CNC[C@@]2(O)CCCN(Cc3ccccc3F)C2=O)s1 ZINC000055361108 205215783 /nfs/dbraw/zinc/21/57/83/205215783.db2.gz HCWBLLSXLVDDKZ-IBGZPJMESA-N 0 3 362.470 2.839 50 0 FFAAHN O=C(C1CCN(Cc2ccccc2)CC1)N1CCN(c2nccs2)CC1 ZINC000057153294 205236038 /nfs/dbraw/zinc/23/60/38/205236038.db2.gz AVULRNDHGTVHLI-UHFFFAOYSA-N 0 3 370.522 2.704 50 0 FFAAHN O=C(NCCNCc1c[nH]nc1-c1ccc(F)cc1)c1ccc(F)cc1 ZINC000055393578 205218128 /nfs/dbraw/zinc/21/81/28/205218128.db2.gz VMGAGPKUNQMVDW-UHFFFAOYSA-N 0 3 356.376 2.875 50 0 FFAAHN CCCN1CCN(C(=O)c2cccc3[nH]cc(CN4CCCC4)c32)CC1 ZINC000065135823 205319138 /nfs/dbraw/zinc/31/91/38/205319138.db2.gz JGPZPOGDPSCLKU-UHFFFAOYSA-N 0 3 354.498 2.932 50 0 FFAAHN Cc1ccc([C@@H](NC(=O)CN2CCCN(C)CC2)c2cccnc2)c(C)c1 ZINC000065451514 205352222 /nfs/dbraw/zinc/35/22/22/205352222.db2.gz LTPHMJNNBYCLIP-QFIPXVFZSA-N 0 3 366.509 2.542 50 0 FFAAHN CC(C)CN(Cc1cnn(C)c1)c1ncnc2sc3c(c21)CCNC3 ZINC000065488028 205354106 /nfs/dbraw/zinc/35/41/06/205354106.db2.gz FWXPYFCQZFCGLN-UHFFFAOYSA-N 0 3 356.499 2.733 50 0 FFAAHN CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(NCCN(C)C)nc2)C1 ZINC000067649732 205380029 /nfs/dbraw/zinc/38/00/29/205380029.db2.gz PYZDMDNYIHBZOB-QGZVFWFLSA-N 0 3 360.502 2.523 50 0 FFAAHN CC[C@H](C)Oc1ccccc1CNC(=O)CCc1cc2n(n1)CCCNC2 ZINC000072473964 205558736 /nfs/dbraw/zinc/55/87/36/205558736.db2.gz NHPVDCZGJGTFGF-INIZCTEOSA-N 0 3 370.497 2.803 50 0 FFAAHN Cc1cc(C)c2c(ncnc2NC[C@@H](c2ccncc2)N2CCOCC2)n1 ZINC000095391805 205751678 /nfs/dbraw/zinc/75/16/78/205751678.db2.gz WJSITACYLSGHKZ-KRWDZBQOSA-N 0 3 364.453 2.522 50 0 FFAAHN CN1CCN(Cc2ccc3cccc(Cl)c3n2)C[C@@]12CCNC(=O)CC2 ZINC000107421866 206020074 /nfs/dbraw/zinc/02/00/74/206020074.db2.gz KGHFPKDMVPDQKW-HXUWFJFHSA-N 0 3 372.900 2.675 50 0 FFAAHN COc1ccc(-c2n[nH]cc2CN2CCN(CC(C)C)[C@H](CCO)C2)cc1 ZINC000104532537 206238926 /nfs/dbraw/zinc/23/89/26/206238926.db2.gz GMMLJRHRHJCJAU-LJQANCHMSA-N 0 3 372.513 2.610 50 0 FFAAHN CCN1CCC[C@@H]1CN(C)C(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000176973082 206300129 /nfs/dbraw/zinc/30/01/29/206300129.db2.gz JVVHPTQFPKQAMB-OAHLLOKOSA-N 0 3 371.437 2.669 50 0 FFAAHN COc1ccc(-n2cc(-c3ccnc(N[C@@H]4CCCN(C)C4)n3)cn2)cc1 ZINC000019739815 206334635 /nfs/dbraw/zinc/33/46/35/206334635.db2.gz IXDSWIGGGBYAPC-MRXNPFEDSA-N 0 3 364.453 2.844 50 0 FFAAHN Cn1c(CNC(=O)C2(c3ccccc3)CCN(C)CC2)nc2ccccc21 ZINC000215931860 206352050 /nfs/dbraw/zinc/35/20/50/206352050.db2.gz UWYOCXGQIYCSAO-UHFFFAOYSA-N 0 3 362.477 2.853 50 0 FFAAHN Cc1ccc(CNC(=O)CC[C@H](C)N2CCN(C)CC2)c2cccnc12 ZINC000218882591 206374979 /nfs/dbraw/zinc/37/49/79/206374979.db2.gz WVKOJSAHXRELFT-KRWDZBQOSA-N 0 3 354.498 2.576 50 0 FFAAHN O=C(c1ccco1)N1CCN(Cc2cc(CN3CCCC3)cs2)CC1 ZINC000218829167 206375158 /nfs/dbraw/zinc/37/51/58/206375158.db2.gz FPBQIJKDQUTKDO-UHFFFAOYSA-N 0 3 359.495 2.895 50 0 FFAAHN CN1CCC(CNC(=O)CCN2CCCCCC2=O)(c2ccccc2)CC1 ZINC000219710835 206389241 /nfs/dbraw/zinc/38/92/41/206389241.db2.gz FTUVLAOYMHZYTG-UHFFFAOYSA-N 0 3 371.525 2.559 50 0 FFAAHN Cc1ccc(NCCCNC(=O)C2(c3ccccc3)CCN(C)CC2)nc1 ZINC000219906166 206394462 /nfs/dbraw/zinc/39/44/62/206394462.db2.gz ZPDSEOXLVUMCCN-UHFFFAOYSA-N 0 3 366.509 2.972 50 0 FFAAHN O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1 ZINC000220218534 206399697 /nfs/dbraw/zinc/39/96/97/206399697.db2.gz OSLKHJPLASJSHR-BZZMCLGOSA-N 0 3 368.399 2.616 50 0 FFAAHN CN1CC[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)[C@@H]1c1ccccc1 ZINC000276905098 256141051 /nfs/dbraw/zinc/14/10/51/256141051.db2.gz WJYWWKMCXPVZHL-ZGXWSNOMSA-N 0 3 351.450 2.721 50 0 FFAAHN CC(C)c1cncnc1N1CCN(C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000091468470 132201778 /nfs/dbraw/zinc/20/17/78/132201778.db2.gz APUMXNBEAUWSSU-NRFANRHFSA-N 0 3 371.529 2.513 50 0 FFAAHN Cc1cc(N2CCC(N3CC(Oc4ccccc4Cl)C3)CC2)nc(N)n1 ZINC000095384047 132209727 /nfs/dbraw/zinc/20/97/27/132209727.db2.gz JQTSATLDTXQTBA-UHFFFAOYSA-N 0 3 373.888 2.753 50 0 FFAAHN Cc1cccc(N2CCN(CCC(=O)NCCCc3ccncc3)CC2)c1 ZINC000222539528 132277161 /nfs/dbraw/zinc/27/71/61/132277161.db2.gz TYUXFOBTGIZKCP-UHFFFAOYSA-N 0 3 366.509 2.651 50 0 FFAAHN C[C@@H](CC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)C1CC1 ZINC000058403250 136131652 /nfs/dbraw/zinc/13/16/52/136131652.db2.gz UGFOLYLSDHROCJ-RBUKOAKNSA-N 0 3 370.541 2.878 50 0 FFAAHN COc1cc(C(=O)N2CCN(C[C@@H]3CC=CCC3)CC2)cc(OC)c1OC ZINC000000893234 506238730 /nfs/dbraw/zinc/23/87/30/506238730.db2.gz IHBIFAFLCFSOQP-MRXNPFEDSA-N 0 3 374.481 2.827 50 0 FFAAHN CN(C)[C@H](CNC[C@@H](O)CO[C@@H]1CCCc2ccccc21)c1ccco1 ZINC000033015020 506324807 /nfs/dbraw/zinc/32/48/07/506324807.db2.gz IJMYRTHBCFPGLM-MISYRCLQSA-N 0 3 358.482 2.927 50 0 FFAAHN COc1ncccc1C(=O)N(C)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012431798 506861009 /nfs/dbraw/zinc/86/10/09/506861009.db2.gz PGJZRVNRWHLEOU-SFHVURJKSA-N 0 3 365.477 2.794 50 0 FFAAHN O=C1N(CC2CC2)CCC[C@@]1(O)CNCc1cccc(C(F)(F)F)c1 ZINC000012715711 506891266 /nfs/dbraw/zinc/89/12/66/506891266.db2.gz AANYFUDUGRVKOA-QGZVFWFLSA-N 0 3 356.388 2.559 50 0 FFAAHN O=C1C[C@@H](NCc2ccc3c(c2)OCCO3)CN1CCc1ccc(F)cc1 ZINC000012716071 506891628 /nfs/dbraw/zinc/89/16/28/506891628.db2.gz MNJOEFBODMZVCF-GOSISDBHSA-N 0 3 370.424 2.530 50 0 FFAAHN CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 ZINC000012706780 506892498 /nfs/dbraw/zinc/89/24/98/506892498.db2.gz CJSNFUHWHBSISH-HXUWFJFHSA-N 0 3 371.525 2.555 50 0 FFAAHN COC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1C ZINC000012779824 506900290 /nfs/dbraw/zinc/90/02/90/506900290.db2.gz RUEMZEMWRAMMQQ-QGZVFWFLSA-N 0 3 369.465 2.985 50 0 FFAAHN CN(Cc1ccccc1)C1(C(=O)N2CCC[C@H](O)C2)Cc2ccccc2C1 ZINC000015070676 507016592 /nfs/dbraw/zinc/01/65/92/507016592.db2.gz HVNBONMRKDWVGR-NRFANRHFSA-N 0 3 364.489 2.639 50 0 FFAAHN Cc1cc(C(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)c(=O)[nH]c1C ZINC000015074457 507018444 /nfs/dbraw/zinc/01/84/44/507018444.db2.gz VPKJQMSZEVOVKS-LJQANCHMSA-N 0 3 367.493 2.819 50 0 FFAAHN O=C1N(CCc2ccccc2)CCC[C@@]1(O)CNCc1ccc(F)c(F)c1 ZINC000067886296 507039813 /nfs/dbraw/zinc/03/98/13/507039813.db2.gz RNPPXTFFRMPMPU-OAQYLSRUSA-N 0 3 374.431 2.651 50 0 FFAAHN CCN(C[C@@H]1CCN(C)C1)C(=O)c1coc(COc2ccc(F)cc2)n1 ZINC000067956189 507067820 /nfs/dbraw/zinc/06/78/20/507067820.db2.gz NSAHFZRPVLGAQG-CQSZACIVSA-N 0 3 361.417 2.807 50 0 FFAAHN CCc1c(C)sc(NC(=S)N2CCN3CCC[C@@H]3C2)c1C(=O)OC ZINC000017075498 507115567 /nfs/dbraw/zinc/11/55/67/507115567.db2.gz XNZJQYOMKHHREE-GFCCVEGCSA-N 0 3 367.540 2.882 50 0 FFAAHN CC(C)CCN1CCN(Cc2cnn(-c3ccccc3)c2)C[C@@H]1CCO ZINC000019607707 507186363 /nfs/dbraw/zinc/18/63/63/507186363.db2.gz NUDLPRNCSSPQRJ-NRFANRHFSA-N 0 3 356.514 2.787 50 0 FFAAHN O=C1C[C@H](NC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc2c(c1)OCO2 ZINC000019881073 507204767 /nfs/dbraw/zinc/20/47/67/507204767.db2.gz GPOJSKQHJASXNG-KQZSUJQPSA-N 0 3 368.433 2.606 50 0 FFAAHN c1ccc(CN2CCN(C3CCN(Cc4ccncc4)CC3)CC2)cc1 ZINC000022579654 507299329 /nfs/dbraw/zinc/29/93/29/507299329.db2.gz RFPONPBYTQZVRU-UHFFFAOYSA-N 0 3 350.510 2.864 50 0 FFAAHN Cc1ccc2c(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)oc2c1 ZINC000023127125 507332337 /nfs/dbraw/zinc/33/23/37/507332337.db2.gz SAYQOQIMQXWQGS-WBVHZDCISA-N 0 3 362.429 2.882 50 0 biogenic FFAAHN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCc1ccccc1 ZINC000023424879 507352032 /nfs/dbraw/zinc/35/20/32/507352032.db2.gz VUMJPKMHPYRSJR-HNNXBMFYSA-N 0 3 367.902 2.537 50 0 FFAAHN COC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1ccccc1C ZINC000026455867 507589606 /nfs/dbraw/zinc/58/96/06/507589606.db2.gz XTISCRGZBCLSGW-GOSISDBHSA-N 0 3 357.454 2.508 50 0 FFAAHN CC(C)[C@@H]1CN(C(=O)CCn2cnnc2)CCCN1Cc1ccc(F)cc1 ZINC000071661817 507707698 /nfs/dbraw/zinc/70/76/98/507707698.db2.gz VRKMOLVHQDKSSI-IBGZPJMESA-N 0 3 373.476 2.566 50 0 FFAAHN CCn1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000071662247 507708721 /nfs/dbraw/zinc/70/87/21/507708721.db2.gz DUNYQICYTJOPFJ-DFQSSKMNSA-N 0 3 350.466 2.605 50 0 FFAAHN CCc1[nH]c2c(cc(C)cc2CNC(=O)CN2CC[C@H](N(C)C)C2)c1C ZINC000071662180 507708771 /nfs/dbraw/zinc/70/87/71/507708771.db2.gz AEFQQNUSKAFUSJ-KRWDZBQOSA-N 0 3 356.514 2.599 50 0 FFAAHN CC(C)[C@@H]1CN(C(=O)N2CCOCC2)CCCN1Cc1ccc(F)cc1 ZINC000071681148 507708795 /nfs/dbraw/zinc/70/87/95/507708795.db2.gz FTCWIQMQAIQQKI-IBGZPJMESA-N 0 3 363.477 2.810 50 0 FFAAHN Cc1nc([C@H]2CCCN(Cc3cnn(-c4ccccc4F)c3)C2)cc(=O)[nH]1 ZINC000072126546 507751064 /nfs/dbraw/zinc/75/10/64/507751064.db2.gz HEKOBKUOLKKFNL-INIZCTEOSA-N 0 3 367.428 2.783 50 0 FFAAHN NC(=O)COc1cccc(CN2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000072151990 507761299 /nfs/dbraw/zinc/76/12/99/507761299.db2.gz LRPWKNZEPLBAAP-UHFFFAOYSA-N 0 3 358.413 2.733 50 0 FFAAHN O=c1oc2ccccc2n1CCN1CCC2(CC1)c1ccccc1C[C@H]2O ZINC000072152668 507761400 /nfs/dbraw/zinc/76/14/00/507761400.db2.gz OGJXBBNZRZRAIV-HXUWFJFHSA-N 0 3 364.445 2.545 50 0 FFAAHN O=C(Cc1ccc(F)cc1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000029156265 507764504 /nfs/dbraw/zinc/76/45/04/507764504.db2.gz SMJUXXNJLACACN-UHFFFAOYSA-N 0 3 369.484 2.692 50 0 FFAAHN CCc1nc(C)c([C@H]2CN(C)C[C@@H]2C(=O)N(C)C2Cc3ccccc3C2)[nH]1 ZINC000072162469 507765492 /nfs/dbraw/zinc/76/54/92/507765492.db2.gz GAYRUANAQAJMDM-OALUTQOASA-N 0 3 366.509 2.552 50 0 FFAAHN Nc1ncccc1CN1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072169676 507769170 /nfs/dbraw/zinc/76/91/70/507769170.db2.gz FQHMUXQCMZOGEP-VAMGGRTRSA-N 0 3 352.457 2.865 50 0 FFAAHN Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(Cc2cccnc2)C1 ZINC000072426692 507788453 /nfs/dbraw/zinc/78/84/53/507788453.db2.gz XGTIRJVBZMRAAC-SFHVURJKSA-N 0 3 354.502 2.576 50 0 FFAAHN O=C(CCc1cc2n(n1)CCCNC2)NCCCSC1CCCCC1 ZINC000072433255 507790634 /nfs/dbraw/zinc/79/06/34/507790634.db2.gz ZXRWDROCGJJPPD-UHFFFAOYSA-N 0 3 364.559 2.881 50 0 FFAAHN O=C(CCc1c[nH]c2ccccc12)N1CCN(C2CCCC2)[C@@H](CCO)C1 ZINC000072463187 507794229 /nfs/dbraw/zinc/79/42/29/507794229.db2.gz SCXPZWMWXGTPTP-IBGZPJMESA-N 0 3 369.509 2.938 50 0 FFAAHN FC1(F)Oc2ccc(-n3ccnc3-c3cc4n(n3)CCCNC4)cc2O1 ZINC000072463534 507794609 /nfs/dbraw/zinc/79/46/09/507794609.db2.gz ILUSXEPVCTZTPR-UHFFFAOYSA-N 0 3 359.336 2.551 50 0 FFAAHN CN(CC1(N2CCCCC2)CCCCC1)C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC000072473999 507795170 /nfs/dbraw/zinc/79/51/70/507795170.db2.gz XKLMIKXTUNFZTD-QGZVFWFLSA-N 0 3 368.543 2.582 50 0 FFAAHN C[C@H](C1CCN(C(=O)c2ncoc2-c2ccccc2)CC1)N1CCOCC1 ZINC000072475607 507796469 /nfs/dbraw/zinc/79/64/69/507796469.db2.gz SLRYQZKAKFLXOV-MRXNPFEDSA-N 0 3 369.465 2.915 50 0 FFAAHN Cc1ncc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)[nH]1 ZINC000072479050 507796880 /nfs/dbraw/zinc/79/68/80/507796880.db2.gz ZXEVKMHJWMZHKF-MAUKXSAKSA-N 0 3 358.511 2.835 50 0 FFAAHN CN1CCN(CCCNC(=O)Cc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000030000185 507799612 /nfs/dbraw/zinc/79/96/12/507799612.db2.gz BOVPTCYOZZYRBH-OAQYLSRUSA-N 0 3 369.484 2.863 50 0 FFAAHN Cc1cnc(CN2C[C@@]3(CCCN(Cc4ccco4)C3)CCC2=O)cn1 ZINC000091270609 507977837 /nfs/dbraw/zinc/97/78/37/507977837.db2.gz YFLKEGKROQXDJU-FQEVSTJZSA-N 0 3 354.454 2.783 50 0 FFAAHN COc1ccc(CN2CCN(C)[C@]3(C2)CCNC(=O)CC3)c2ccccc12 ZINC000091655917 508000172 /nfs/dbraw/zinc/00/01/72/508000172.db2.gz XURYVKMCBUTHTB-QFIPXVFZSA-N 0 3 367.493 2.635 50 0 FFAAHN CN1CCN(Cc2ccc(C(F)(F)F)cc2F)C[C@]12CCNC(=O)CC2 ZINC000091707441 508004318 /nfs/dbraw/zinc/00/43/18/508004318.db2.gz SFOBVRHKCPYXFJ-KRWDZBQOSA-N 0 3 373.394 2.631 50 0 FFAAHN Cc1cnc(CN2C[C@@]3(CCCN(Cc4ccoc4)C3)CCC2=O)cn1 ZINC000091707196 508004475 /nfs/dbraw/zinc/00/44/75/508004475.db2.gz GUWOHQICMPTPDB-FQEVSTJZSA-N 0 3 354.454 2.783 50 0 FFAAHN COc1c(C)cc(C)cc1CN1CCC2(CCC(=O)N(CCCO)C2)CC1 ZINC000091768791 508010543 /nfs/dbraw/zinc/01/05/43/508010543.db2.gz HVFQMWFSKKUDRS-UHFFFAOYSA-N 0 3 374.525 2.899 50 0 FFAAHN O=C(c1ccc2nccn2c1)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000091873215 508021123 /nfs/dbraw/zinc/02/11/23/508021123.db2.gz XPZLROFQNRYIFE-UHFFFAOYSA-N 0 3 360.461 2.650 50 0 FFAAHN C[C@@H](C1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1)N1CCN(C)CC1 ZINC000092045810 508037328 /nfs/dbraw/zinc/03/73/28/508037328.db2.gz ASHUBAVRWZWWMS-AWEZNQCLSA-N 0 3 367.896 2.967 50 0 FFAAHN C[C@@H](C1CCN(C(=O)c2cccc3c2ccn3C)CC1)N1CCN(C)CC1 ZINC000095354272 508174785 /nfs/dbraw/zinc/17/47/85/508174785.db2.gz KBUCLNGMTQLFPM-KRWDZBQOSA-N 0 3 368.525 2.666 50 0 FFAAHN CC(C)[C@@H]1CN(CCCOc2ccc(F)cc2)C[C@H]1NC(=O)N(C)C ZINC000095354292 508174794 /nfs/dbraw/zinc/17/47/94/508174794.db2.gz HMPSPVSOUBMSAE-ZWKOTPCHSA-N 0 3 351.466 2.822 50 0 FFAAHN COc1cccc(CCNC(=O)C2CCN(Cc3ccco3)CC2)c1OC ZINC000095373920 508179166 /nfs/dbraw/zinc/17/91/66/508179166.db2.gz IAWIEHVTNDVWQM-UHFFFAOYSA-N 0 3 372.465 2.868 50 0 FFAAHN c1coc(-c2ncc(CN3C[C@H]4CC[C@@H]3CN(C3CCOCC3)C4)cn2)c1 ZINC000095373682 508179233 /nfs/dbraw/zinc/17/92/33/508179233.db2.gz ROHYGAKLOTWIAZ-VQIMIIECSA-N 0 3 368.481 2.812 50 0 FFAAHN Cc1cccc2nc(CNC(=O)[C@H]3CCCN(Cc4ccco4)C3)cn21 ZINC000095377143 508179736 /nfs/dbraw/zinc/17/97/36/508179736.db2.gz BGNKIXOFUSJHOF-INIZCTEOSA-N 0 3 352.438 2.764 50 0 FFAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(c2noc(-c3ccccc3)n2)C1 ZINC000095386413 508183033 /nfs/dbraw/zinc/18/30/33/508183033.db2.gz DDYFYQDWMYVIFN-QGZVFWFLSA-N 0 3 366.469 2.879 50 0 FFAAHN Cc1ccc(N2C[C@H](C(=O)N(C)[C@H](C)C3CCN(C)CC3)CC2=O)cc1 ZINC000095450526 508185934 /nfs/dbraw/zinc/18/59/34/508185934.db2.gz YZNUWNYNRPPUSS-SJLPKXTDSA-N 0 3 357.498 2.537 50 0 FFAAHN CN(C)[C@@H]1C[C@@H](CO)N(C(=O)Nc2cccc(OCc3ccccc3)c2)C1 ZINC000095503515 508191219 /nfs/dbraw/zinc/19/12/19/508191219.db2.gz TYUXBWNUFRBQGO-MOPGFXCFSA-N 0 3 369.465 2.794 50 0 FFAAHN C[C@H](CNC(=O)Nc1ccc(OC2CCN(C)CC2)cc1)n1ccnc1 ZINC000095506189 508191763 /nfs/dbraw/zinc/19/17/63/508191763.db2.gz MMVHWOAOXTVAJV-OAHLLOKOSA-N 0 3 357.458 2.739 50 0 FFAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@H](C)O)CC1 ZINC000095510410 508192515 /nfs/dbraw/zinc/19/25/15/508192515.db2.gz TXKKGGMXGYFWKR-KRWDZBQOSA-N 0 3 362.514 2.773 50 0 FFAAHN CCCN1CCc2nc[nH]c2C12CCN(Cc1cccc3nonc31)CC2 ZINC000095525298 508195425 /nfs/dbraw/zinc/19/54/25/508195425.db2.gz OTSZBKLMAPUKKA-UHFFFAOYSA-N 0 3 366.469 2.705 50 0 FFAAHN COC(=O)c1ccc(NC(=O)N2CCC(N3CCSCC3)CC2)cc1 ZINC000095528057 508196120 /nfs/dbraw/zinc/19/61/20/508196120.db2.gz PTFFMRMRTQWJAJ-UHFFFAOYSA-N 0 3 363.483 2.518 50 0 FFAAHN CC[C@H](C(=O)N1CCc2[nH]c(-c3ccc(OC)cc3)nc2C1)N1CCCC1 ZINC000096150299 508208490 /nfs/dbraw/zinc/20/84/90/508208490.db2.gz YHOIAMXRTCLZQJ-LJQANCHMSA-N 0 3 368.481 2.844 50 0 FFAAHN CC[C@H](C(=O)N1CCc2nc(-c3ccc(OC)cc3)[nH]c2C1)N1CCCC1 ZINC000096150299 508208492 /nfs/dbraw/zinc/20/84/92/508208492.db2.gz YHOIAMXRTCLZQJ-LJQANCHMSA-N 0 3 368.481 2.844 50 0 FFAAHN Cc1ccc(-n2nc(C(=O)N3CCC[C@@H]3CN(C)C)c3c2CCC3)cc1 ZINC000097000937 508216953 /nfs/dbraw/zinc/21/69/53/508216953.db2.gz LNNRYJOVCHZXFH-QGZVFWFLSA-N 0 3 352.482 2.836 50 0 FFAAHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)CN1CCCCC1=O ZINC000097405191 508223932 /nfs/dbraw/zinc/22/39/32/508223932.db2.gz NHDNNLLDULLVFZ-IBGZPJMESA-N 0 3 371.525 2.588 50 0 FFAAHN O=C1CC[C@@]2(CCCN(Cc3ccc(Cl)cc3)C2)CN1CCCO ZINC000082170731 508227532 /nfs/dbraw/zinc/22/75/32/508227532.db2.gz YJRYKJUGOVCUDJ-LJQANCHMSA-N 0 3 350.890 2.927 50 0 FFAAHN O=C(CN1CCCCC1=O)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000097772999 508229812 /nfs/dbraw/zinc/22/98/12/508229812.db2.gz RVFPVISXMCCDLL-IBGZPJMESA-N 0 3 357.498 2.732 50 0 FFAAHN COCCN1CCC(C(=O)NCc2cccc(C(F)(F)F)c2F)CC1 ZINC000097797526 508229945 /nfs/dbraw/zinc/22/99/45/508229945.db2.gz REUDKTGJIPYUED-UHFFFAOYSA-N 0 3 362.367 2.819 50 0 FFAAHN COc1ccccc1/C=C\C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000098056592 508232813 /nfs/dbraw/zinc/23/28/13/508232813.db2.gz FMEFQUYSAHBSAF-ZBTAVZRMSA-N 0 3 358.482 2.812 50 0 FFAAHN CCn1ccc2cc(CN3CCC[C@]4(CCC(=O)N(CCO)C4)C3)ccc21 ZINC000077534851 508330014 /nfs/dbraw/zinc/33/00/14/508330014.db2.gz AECYYMVPKCBGLK-QFIPXVFZSA-N 0 3 369.509 2.858 50 0 FFAAHN COc1cc(CNC[C@H]2CN(C3CC3)CCO2)ccc1OCC(F)(F)F ZINC000106380418 508400021 /nfs/dbraw/zinc/40/00/21/508400021.db2.gz KVRLYEAKXPUYTA-HNNXBMFYSA-N 0 3 374.403 2.589 50 0 FFAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CNC[C@@H]1CN(C2CC2)CCO1 ZINC000106380333 508400109 /nfs/dbraw/zinc/40/01/09/508400109.db2.gz OBAQYZFDFWSNRT-LJQANCHMSA-N 0 3 358.461 2.581 50 0 FFAAHN O=C(CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)NC(=O)NC1CCCCC1 ZINC000225519889 509374797 /nfs/dbraw/zinc/37/47/97/509374797.db2.gz SLRKJCSCQFDPJA-KSZLIROESA-N 0 3 365.518 2.551 50 0 FFAAHN COC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000226264196 509396769 /nfs/dbraw/zinc/39/67/69/509396769.db2.gz STOBRSJMJNWINW-RDTXWAMCSA-N 0 3 357.454 2.650 50 0 FFAAHN CN(CC1(O)CCCC1)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189746551 509730807 /nfs/dbraw/zinc/73/08/07/509730807.db2.gz BAVMEAKVJUIYMD-QGZVFWFLSA-N 0 3 352.425 2.693 50 0 FFAAHN COCCN(C(=O)[C@@H]1CCCCN1Cc1ccccc1)C1CCN(C)CC1 ZINC000252505453 509846123 /nfs/dbraw/zinc/84/61/23/509846123.db2.gz VRPJLWLPGQTWAU-NRFANRHFSA-N 0 3 373.541 2.610 50 0 FFAAHN COc1ccc(C)cc1NC(=O)CCN1CCC[C@H]1C(=O)N1CCCCC1 ZINC000243914995 509856120 /nfs/dbraw/zinc/85/61/20/509856120.db2.gz BLHWYJGDQXYRCT-SFHVURJKSA-N 0 3 373.497 2.809 50 0 FFAAHN CN(CCC(=O)NCc1ccccc1F)C[C@H]1Cc2ccccc2CN1C ZINC000244719176 509865717 /nfs/dbraw/zinc/86/57/17/509865717.db2.gz LYGMUPCYYJBADO-HXUWFJFHSA-N 0 3 369.484 2.821 50 0 FFAAHN O=C(C1CC1)N1CCC(N[C@@H](c2ccc(F)cc2F)[C@H]2C[C@@H](O)C2)CC1 ZINC000244748705 509869153 /nfs/dbraw/zinc/86/91/53/509869153.db2.gz OMXMXSGJHROAAA-ACWOFJMJSA-N 0 3 364.436 2.767 50 0 FFAAHN Cc1c(C(=O)N2CCCN(C3CCCC3)CC2)nnn1-c1ccc(C)cc1 ZINC000172420435 510717640 /nfs/dbraw/zinc/71/76/40/510717640.db2.gz PZHGEBZGZKTUOQ-UHFFFAOYSA-N 0 3 367.497 2.975 50 0 FFAAHN CCO[C@@H]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C12CCOCC2 ZINC000332966829 511163687 /nfs/dbraw/zinc/16/36/87/511163687.db2.gz ZMPIEVRJHIMXCW-KURKYZTESA-N 0 3 352.519 2.587 50 0 FFAAHN O=C(NCCCN1CCC[C@H](O)C1)Nc1cc(F)cc(C(F)(F)F)c1 ZINC000299755352 511668869 /nfs/dbraw/zinc/66/88/69/511668869.db2.gz HVAUXCWHPBGBAE-AWEZNQCLSA-N 0 3 363.355 2.813 50 0 FFAAHN O=C(CCCC(=O)N1CCC(N2CCC[C@H](CO)C2)CC1)c1ccccc1 ZINC000299757193 511669789 /nfs/dbraw/zinc/66/97/89/511669789.db2.gz IXGFYDWRZWUPLA-SFHVURJKSA-N 0 3 372.509 2.735 50 0 FFAAHN COc1ccc2nc(CCN(C)C(=O)C[C@@H](C)n3ccnc3C)[nH]c2c1 ZINC000299763037 511671855 /nfs/dbraw/zinc/67/18/55/511671855.db2.gz OHKMWIPZMFSSTK-CYBMUJFWSA-N 0 3 355.442 2.729 50 0 FFAAHN O=C(Nc1ccc[nH]c1=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000299771814 511674510 /nfs/dbraw/zinc/67/45/10/511674510.db2.gz VILFTSODQMYVDL-UHFFFAOYSA-N 0 3 354.454 2.960 50 0 FFAAHN CO[C@]12CCN(Cc3nccnc3C)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000299788001 511680801 /nfs/dbraw/zinc/68/08/01/511680801.db2.gz ZSGBQQPRCRLKLM-XKGZKEIXSA-N 0 3 354.454 2.771 50 0 FFAAHN CC(C)(C)c1cc(C(=O)NC[C@@H]2CCC[N@@H+](C3CCCC3)C2)[n-]c(=O)n1 ZINC000299790785 511682096 /nfs/dbraw/zinc/68/20/96/511682096.db2.gz BNIMQULCKKLHPS-AWEZNQCLSA-N 0 3 360.502 2.864 50 0 FFAAHN CC(C)(C)c1cc(C(=O)NC[C@@H]2CCC[N@H+](C3CCCC3)C2)[n-]c(=O)n1 ZINC000299790785 511682102 /nfs/dbraw/zinc/68/21/02/511682102.db2.gz BNIMQULCKKLHPS-AWEZNQCLSA-N 0 3 360.502 2.864 50 0 FFAAHN Cc1ccc(CN2CCC(CNC(=O)c3ccn(C(F)F)n3)CC2)o1 ZINC000299791167 511682353 /nfs/dbraw/zinc/68/23/53/511682353.db2.gz CBDNTWCILRZILX-UHFFFAOYSA-N 0 3 352.385 2.822 50 0 FFAAHN Cn1c(C(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)cc2c1cccc2Cl ZINC000299793695 511684186 /nfs/dbraw/zinc/68/41/86/511684186.db2.gz ICMGKVHBPMDZBK-ROUUACIJSA-N 0 3 361.873 2.503 50 0 FFAAHN Cc1cn2c(n1)[C@@H](CNC(=O)NC[C@H]1CCN1C1CCCCC1)CCC2 ZINC000527827448 517938625 /nfs/dbraw/zinc/93/86/25/517938625.db2.gz ZRTGQWCDNXMLMQ-SJLPKXTDSA-N 0 3 359.518 2.775 50 0 FFAAHN Cc1cn2c(n1)[C@H](CNC(=O)NC[C@@H]1CCN1C1CCCCC1)CCC2 ZINC000527827450 517938679 /nfs/dbraw/zinc/93/86/79/517938679.db2.gz ZRTGQWCDNXMLMQ-WMZOPIPTSA-N 0 3 359.518 2.775 50 0 FFAAHN C[C@@H](CNC(=O)c1cccc(-c2ccc(CC(N)=O)cc2)c1)N1CCCC1 ZINC000534581163 517951137 /nfs/dbraw/zinc/95/11/37/517951137.db2.gz IZIRJOPDQAZXFC-INIZCTEOSA-N 0 3 365.477 2.596 50 0 FFAAHN Cc1cccc([C@@H](CNC(=O)N2CCN(c3cccnc3)CC2)N(C)C)c1 ZINC000534674622 517996815 /nfs/dbraw/zinc/99/68/15/517996815.db2.gz JBAYXUZWLAWAQR-HXUWFJFHSA-N 0 3 367.497 2.525 50 0 FFAAHN CCN1CC[C@@H](NC(=O)N(CCCO)Cc2cccc3ccccc32)C1 ZINC000584885620 518521697 /nfs/dbraw/zinc/52/16/97/518521697.db2.gz ORJFYTRDGYUQDC-LJQANCHMSA-N 0 3 355.482 2.828 50 0 FFAAHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NC[C@H]1CCCO1 ZINC000242339323 518958884 /nfs/dbraw/zinc/95/88/84/518958884.db2.gz ZGWPPAPDCGDBNY-MOPGFXCFSA-N 0 3 359.514 2.938 50 0 FFAAHN O=C(N=c1[nH]c2ccccc2n1CCN1CCCCC1)c1cnccn1 ZINC000028305499 519231220 /nfs/dbraw/zinc/23/12/20/519231220.db2.gz LCDJCRHGIHAJCO-UHFFFAOYSA-N 0 3 350.426 2.565 50 0 FFAAHN CC(C)Cc1cc(CN2CC[C@@]3(C2)CCCN(C2CCOCC2)C3=O)[nH]n1 ZINC000091713307 519431372 /nfs/dbraw/zinc/43/13/72/519431372.db2.gz LCSIEWRMDGFSJV-OAQYLSRUSA-N 0 3 374.529 2.602 50 0 FFAAHN CC(C)Cc1cc(CN2CC[C@@]3(C2)CCCN(C2CCOCC2)C3=O)n[nH]1 ZINC000091713307 519431382 /nfs/dbraw/zinc/43/13/82/519431382.db2.gz LCSIEWRMDGFSJV-OAQYLSRUSA-N 0 3 374.529 2.602 50 0 FFAAHN CCOc1ccc(-c2ccc(CN3C[C@H](O)[C@@H](N4CCCC4)C3)o2)cc1 ZINC000216379466 520810831 /nfs/dbraw/zinc/81/08/31/520810831.db2.gz FDNWEWFEQIIHJR-PMACEKPBSA-N 0 3 356.466 2.986 50 0 FFAAHN COCCn1ccnc1[C@@H]1CCCN(C(=O)CN2CCCCCCC2)C1 ZINC000091644827 522138308 /nfs/dbraw/zinc/13/83/08/522138308.db2.gz HFJPWJGQNBDSDK-GOSISDBHSA-N 0 3 362.518 2.502 50 0 FFAAHN CN1CCCN(c2ccc(NC(=O)NCC[C@H]3CCCO3)cc2F)CC1 ZINC000252457238 523811954 /nfs/dbraw/zinc/81/19/54/523811954.db2.gz QCWXNNSZYARIRQ-MRXNPFEDSA-N 0 3 364.465 2.658 50 0 FFAAHN COc1cccc([C@H]2CN(C(=O)CCCOCc3ccccc3)C[C@@H]2N)c1 ZINC000091595762 524179199 /nfs/dbraw/zinc/17/91/99/524179199.db2.gz YVDTYMDFXUPYGO-RTWAWAEBSA-N 0 3 368.477 2.945 50 0 FFAAHN Cc1cc(CN(C)C)cc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)c1 ZINC000089585325 524659158 /nfs/dbraw/zinc/65/91/58/524659158.db2.gz FHYFYOQEPZAWCG-AZUAARDMSA-N 0 3 366.465 2.610 50 0 FFAAHN Cc1cccnc1N1CCN(C(=O)CN2CC[C@H](c3ccccc3)C2)CC1 ZINC000082092981 525532938 /nfs/dbraw/zinc/53/29/38/525532938.db2.gz JNCCKLQWABXUOI-FQEVSTJZSA-N 0 3 364.493 2.528 50 0 FFAAHN COc1cccc(CN2CCC[C@@H](NCc3cnc(SC)nc3)C2)c1 ZINC000020601098 525939858 /nfs/dbraw/zinc/93/98/58/525939858.db2.gz RZNZZQRLDTWHDM-QGZVFWFLSA-N 0 3 358.511 2.961 50 0 FFAAHN Cc1ccc(C(=O)CCCN2CCN(C)[C@@]3(C2)CCC(=O)N(C)CC3)cc1 ZINC000091645380 526043024 /nfs/dbraw/zinc/04/30/24/526043024.db2.gz XDGOSNYIWFDHOY-QFIPXVFZSA-N 0 3 371.525 2.586 50 0 FFAAHN c1ccc(-c2ncc(CN3CCCC[C@H]3CCN3CCOCC3)cn2)nc1 ZINC000077537283 526455762 /nfs/dbraw/zinc/45/57/62/526455762.db2.gz OTVSZSOHRCLSOD-IBGZPJMESA-N 0 3 367.497 2.615 50 0 FFAAHN OCc1ccc(CN2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)o1 ZINC000019795027 527632398 /nfs/dbraw/zinc/63/23/98/527632398.db2.gz YTCRVELGTVIFSH-LJQANCHMSA-N 0 3 373.472 2.698 50 0 FFAAHN CCc1cc(CCCN2CCCC[C@@H]2c2[nH]ncc2C(=O)N(C)C)on1 ZINC000685939917 571099177 /nfs/dbraw/zinc/09/91/77/571099177.db2.gz NSPBJAWVTHJFBA-QGZVFWFLSA-N 0 3 359.474 2.822 50 0 FFAAHN CC1(C)c2ccccc2N(CC(=O)N2CCN(C3CCCCC3)CC2)C1=O ZINC000035398832 571148126 /nfs/dbraw/zinc/14/81/26/571148126.db2.gz OWPVVADCVJIQEY-UHFFFAOYSA-N 0 3 369.509 2.788 50 0 FFAAHN CCn1ccc(CN(C)C(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000252481149 571280243 /nfs/dbraw/zinc/28/02/43/571280243.db2.gz CIBJSIJTYQGSNM-UHFFFAOYSA-N 0 3 355.486 2.961 50 0 FFAAHN Cc1ccc(C(=O)NCCNCc2sccc2C2OCCO2)cc1F ZINC000888097118 734011577 /nfs/dbraw/zinc/01/15/77/734011577.db2.gz BFAGTFVLJSGRTM-UHFFFAOYSA-N 0 3 364.442 2.761 50 0 FFAAHN COC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000643919645 978203556 /nfs/dbraw/zinc/20/35/56/978203556.db2.gz WMGXAUAHDBNUJK-FVJLSDCUSA-N 0 3 374.481 2.965 50 0 FFAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)C4CC4)C3)C2)c1OC ZINC000012228539 988317493 /nfs/dbraw/zinc/31/74/93/988317493.db2.gz AKBGKWXIXUQOSE-NRFANRHFSA-N 0 3 358.482 2.928 50 0 FFAAHN Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000012454157 989458805 /nfs/dbraw/zinc/45/88/05/989458805.db2.gz YNIYEDSPWJKKCX-HXUWFJFHSA-N 0 3 368.525 2.793 50 0 FFAAHN Cc1ccc(CN2CCC3(C[C@H]3C(=O)NCCc3ccccn3)CC2)o1 ZINC000012508581 989718974 /nfs/dbraw/zinc/71/89/74/989718974.db2.gz DIRJTSJHWPZGDL-IBGZPJMESA-N 0 3 353.466 2.944 50 0 FFAAHN Cc1cnc(C2CCOCC2)n1CCNC(=O)[C@@H]1CCN1C1CCCCC1 ZINC000581813037 999947447 /nfs/dbraw/zinc/94/74/47/999947447.db2.gz MZPJRAZMARQMQD-IBGZPJMESA-N 0 3 374.529 2.609 50 0 FFAAHN C[C@H](CN(C)Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1)N1CCOCC1 ZINC000952975407 1011018532 /nfs/dbraw/zinc/01/85/32/1011018532.db2.gz NIFNAUYLJQLUTL-OAHLLOKOSA-N 0 3 370.449 2.770 50 0 FFAAHN CCN(CC)C[C@H]1CCCN1S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC001506415158 1059504725 /nfs/dbraw/zinc/50/47/25/1059504725.db2.gz WJVFKSLOEIZJKK-CYBMUJFWSA-N 0 3 360.907 2.844 50 0 FFAAHN CC(C)CCOc1cccc(CN2C[C@@H](Cc3cnccn3)[C@H](O)C2)c1 ZINC001529119014 1062171550 /nfs/dbraw/zinc/17/15/50/1062171550.db2.gz AKVGGJVEEBGFIJ-WIYYLYMNSA-N 0 3 355.482 2.937 50 0 FFAAHN CC[C@@H]1CN(C(=O)c2cccc(-c3cncc(C(C)(C)O)c3)c2)CCN1 ZINC000299798673 529381648 /nfs/dbraw/zinc/38/16/48/529381648.db2.gz QXGOOJDNLWMHOO-LJQANCHMSA-N 0 3 353.466 2.800 50 0 FFAAHN Cc1cc(C)c(NC(=O)CCN2CCC3(CNC(=O)O3)CC2)c(Cl)c1 ZINC000299799487 223102706 /nfs/dbraw/zinc/10/27/06/223102706.db2.gz SQRHHCMBMPDPHC-UHFFFAOYSA-N 0 3 365.861 2.860 50 0 FFAAHN O[C@H](CNCCNc1ncccc1C(F)(F)F)COc1ccc(F)cc1 ZINC000002141880 204027325 /nfs/dbraw/zinc/02/73/25/204027325.db2.gz ONWODZGYBGJKFQ-CYBMUJFWSA-N 0 3 373.350 2.681 50 0 FFAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000002213202 204029539 /nfs/dbraw/zinc/02/95/39/204029539.db2.gz QPJDFXFWEMCEQY-UHFFFAOYSA-N 0 3 364.877 2.678 50 0 FFAAHN C[C@@H]1C[C@H](C)CN(Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000007191855 204291835 /nfs/dbraw/zinc/29/18/35/204291835.db2.gz NPAYZJVDWGQNAR-TXEJJXNPSA-N 0 3 350.260 2.935 50 0 FFAAHN COc1ccc([C@@H](CNC(=O)c2ccc(-n3cccn3)cc2)N(C)C)cc1 ZINC000007988434 204313516 /nfs/dbraw/zinc/31/35/16/204313516.db2.gz DZNPUAPAHJMJPM-HXUWFJFHSA-N 0 3 364.449 2.914 50 0 FFAAHN COc1ccc([C@H](CNC(=O)c2ccc(-n3cccn3)cc2)N(C)C)cc1 ZINC000007988433 204313871 /nfs/dbraw/zinc/31/38/71/204313871.db2.gz DZNPUAPAHJMJPM-FQEVSTJZSA-N 0 3 364.449 2.914 50 0 FFAAHN COCCNC(=O)c1cccc(OC2CCN([C@@H](C)CSC)CC2)c1 ZINC000012431522 204460614 /nfs/dbraw/zinc/46/06/14/204460614.db2.gz ZQFZXCZAYZQODA-HNNXBMFYSA-N 0 3 366.527 2.658 50 0 FFAAHN CCN(CC)[C@H](Cn1c(=O)[nH]c2ccsc2c1=O)c1cccc(OC)c1 ZINC000012763516 204493263 /nfs/dbraw/zinc/49/32/63/204493263.db2.gz GZNGPSYUVJEPTQ-MRXNPFEDSA-N 0 3 373.478 2.843 50 0 FFAAHN COCCCN(Cc1cccc(OC)c1OC)C[C@@H](O)COC(C)(C)C ZINC000036097198 205004044 /nfs/dbraw/zinc/00/40/44/205004044.db2.gz KURUOUFEQFKMEG-QGZVFWFLSA-N 0 3 369.502 2.718 50 0 FFAAHN COc1ccc(CN(C[C@H](O)COCc2ccco2)C2CC2)cc1OC ZINC000036095833 205004286 /nfs/dbraw/zinc/00/42/86/205004286.db2.gz XNFQNQQLKXCFJG-KRWDZBQOSA-N 0 3 361.438 2.839 50 0 FFAAHN CSc1cccc(NC(=O)NCCNc2cc(N(C)C)nc(C)n2)c1 ZINC000038670712 205042023 /nfs/dbraw/zinc/04/20/23/205042023.db2.gz MDQNBEUTSPJHNT-UHFFFAOYSA-N 0 3 360.487 2.807 50 0 FFAAHN C[C@@H](CNC(=O)c1ccc(I)cc1)N1CCCC1 ZINC000040092386 205053889 /nfs/dbraw/zinc/05/38/89/205053889.db2.gz REPFSYCMUBEBJL-NSHDSACASA-N 0 3 358.223 2.505 50 0 FFAAHN C[C@@H]1CCCN(CCNC(=O)c2cccc(I)c2)C1 ZINC000040107556 205055185 /nfs/dbraw/zinc/05/51/85/205055185.db2.gz BOPOIJSNRKKDHY-GFCCVEGCSA-N 0 3 372.250 2.753 50 0 FFAAHN O=C(NCCN1CCCC[C@H]1CO)c1cccc(-c2ccc(O)cc2)c1 ZINC000055414608 205219456 /nfs/dbraw/zinc/21/94/56/205219456.db2.gz LXMJSSFUYJGXTN-IBGZPJMESA-N 0 3 354.450 2.636 50 0 FFAAHN C[C@H](C(=O)NCc1ccccc1CN(C)C1CCCCC1)S(C)(=O)=O ZINC000058168856 205254038 /nfs/dbraw/zinc/25/40/38/205254038.db2.gz IGWFYMOLAOVYCU-OAHLLOKOSA-N 0 3 366.527 2.500 50 0 FFAAHN COc1cc(CCNc2cc(C3CCN(C)CC3)ncn2)cc(OC)c1 ZINC000063884256 205295552 /nfs/dbraw/zinc/29/55/52/205295552.db2.gz KYYAOPNKCWIKKV-UHFFFAOYSA-N 0 3 356.470 2.958 50 0 FFAAHN O=C(c1nn(CCN2CCCCC2)c2ccccc21)N1CCSCC1 ZINC000064761060 205304026 /nfs/dbraw/zinc/30/40/26/205304026.db2.gz UIPXMQQAAPILIF-UHFFFAOYSA-N 0 3 358.511 2.711 50 0 FFAAHN CCOC(=O)CCCN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000058438375 205275645 /nfs/dbraw/zinc/27/56/45/205275645.db2.gz PHPIJYWFUPRPKH-CYBMUJFWSA-N 0 3 353.850 2.729 50 0 FFAAHN CCN1CCC[C@H](NC(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)C1 ZINC000058431438 205276404 /nfs/dbraw/zinc/27/64/04/205276404.db2.gz FKTSDRWPQUKSPJ-RDJZCZTQSA-N 0 3 364.921 2.950 50 0 FFAAHN O=C(Nc1ccc[nH]c1=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000065475742 205353351 /nfs/dbraw/zinc/35/33/51/205353351.db2.gz CKMHYBXODZWPNQ-QGZVFWFLSA-N 0 3 365.355 2.768 50 0 FFAAHN O=C1CCCN1C[C@@H]1CCCN(Cc2cc(F)ccc2-n2cccn2)C1 ZINC000065396100 205345024 /nfs/dbraw/zinc/34/50/24/205345024.db2.gz QDDNWWHIRXFAIK-MRXNPFEDSA-N 0 3 356.445 2.846 50 0 FFAAHN CCOc1ccccc1NC(=O)CCN1CC=C(c2cnn(C)c2)CC1 ZINC000065398524 205346269 /nfs/dbraw/zinc/34/62/69/205346269.db2.gz SVIODIHJEPOEGF-UHFFFAOYSA-N 0 3 354.454 2.937 50 0 FFAAHN C[C@@]1(O)CCN(CCn2c3ccccc3oc2=O)C[C@@H]1Cc1ccccc1 ZINC000067541364 205374469 /nfs/dbraw/zinc/37/44/69/205374469.db2.gz OZFNCNNFJYCBFW-PGRDOPGGSA-N 0 3 366.461 2.910 50 0 FFAAHN Cc1ccc(CNC[C@]2(O)CCCN(CCc3ccccc3)C2=O)cc1C ZINC000067757578 205388392 /nfs/dbraw/zinc/38/83/92/205388392.db2.gz OXUKEUFTALLMPT-HSZRJFAPSA-N 0 3 366.505 2.989 50 0 FFAAHN CCn1c(=O)[nH]nc1C1CCN(Cc2[nH]c3ccc(F)cc3c2C)CC1 ZINC000067820688 205395121 /nfs/dbraw/zinc/39/51/21/205395121.db2.gz BJEFCRKUGXPTPG-UHFFFAOYSA-N 0 3 357.433 2.900 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)c3ccc[nH]3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095381225 205745283 /nfs/dbraw/zinc/74/52/83/205745283.db2.gz LSGODCNHQSOEJW-DFQSSKMNSA-N 0 3 351.450 2.726 50 0 FFAAHN Cc1cc(F)ccc1C(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 ZINC000095505911 205773686 /nfs/dbraw/zinc/77/36/86/205773686.db2.gz GXOXFOGAKGKNTA-INIZCTEOSA-N 0 3 358.461 2.912 50 0 FFAAHN COc1ccc(OC)c(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c1 ZINC000104432780 206231730 /nfs/dbraw/zinc/23/17/30/206231730.db2.gz QGJADOMSLJGAKR-QGZVFWFLSA-N 0 3 350.503 2.619 50 0 FFAAHN CC(C)CCN1CCN(Cc2cccn2-c2nccs2)C[C@H]1CCO ZINC000104507799 206237012 /nfs/dbraw/zinc/23/70/12/206237012.db2.gz CJOITCLUZBMUBH-QGZVFWFLSA-N 0 3 362.543 2.849 50 0 FFAAHN CCc1ccc([C@@H](CNc2cc(-n3cccn3)nc(N)n2)N(C)C)cc1 ZINC000170663852 206280122 /nfs/dbraw/zinc/28/01/22/206280122.db2.gz ZHQXUGIDNORBEK-MRXNPFEDSA-N 0 3 351.458 2.522 50 0 FFAAHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1Cc1ccccc1 ZINC000106633576 206311666 /nfs/dbraw/zinc/31/16/66/206311666.db2.gz VTRKPRFIFWWSNH-PMACEKPBSA-N 0 3 350.462 2.870 50 0 FFAAHN CC[C@H]1CCCCN1CCNC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC000106922904 206311953 /nfs/dbraw/zinc/31/19/53/206311953.db2.gz GGBASCDEIYRMOI-CVEARBPZSA-N 0 3 355.523 2.870 50 0 FFAAHN CCN(Cc1noc(C)n1)Cc1cc(CN2CCN(C)CC2)c(C)cc1C ZINC000215748566 206349743 /nfs/dbraw/zinc/34/97/43/206349743.db2.gz QCJXIUFKPJYFLB-UHFFFAOYSA-N 0 3 371.529 2.764 50 0 FFAAHN CCn1cc(CN(C)Cc2cc(C)cc(CN3CCN(C)CC3)c2C)cn1 ZINC000216018128 206353044 /nfs/dbraw/zinc/35/30/44/206353044.db2.gz SRTQBCMZJHUREH-UHFFFAOYSA-N 0 3 369.557 2.899 50 0 FFAAHN CN1CC[C@H](NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)[C@@H]1c1ccccc1 ZINC000276905091 256141029 /nfs/dbraw/zinc/14/10/29/256141029.db2.gz WJYWWKMCXPVZHL-LWYYNNOASA-N 0 3 351.450 2.721 50 0 FFAAHN CCn1ccc2c1cccc2CN1CCN(c2cc(C)nc(N)n2)CC1 ZINC000216523583 132271492 /nfs/dbraw/zinc/27/14/92/132271492.db2.gz XXZOVXSNBBEMTP-UHFFFAOYSA-N 0 3 350.470 2.664 50 0 FFAAHN Cc1cccc(N2CCN(CCC(=O)N(C)C[C@@H]3CCCCO3)CC2)c1 ZINC000240517179 132289264 /nfs/dbraw/zinc/28/92/64/132289264.db2.gz NWIXBMZMXOWMPF-FQEVSTJZSA-N 0 3 359.514 2.535 50 0 FFAAHN CN(C)C(=O)COc1ccccc1CNC1CCN(c2ccccc2)CC1 ZINC000058217452 136131078 /nfs/dbraw/zinc/13/10/78/136131078.db2.gz IUMTVBLLNUEAQD-UHFFFAOYSA-N 0 3 367.493 2.912 50 0 FFAAHN O=C(NCc1cccnc1)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1 ZINC000065256229 506277555 /nfs/dbraw/zinc/27/75/55/506277555.db2.gz UYLOGVVRAQXGCD-FQEVSTJZSA-N 0 3 373.460 2.558 50 0 FFAAHN CCc1ccc([C@@H](CNC(=O)c2cnn(C)c2-n2cccc2)N(C)C)cc1 ZINC000032734604 506285656 /nfs/dbraw/zinc/28/56/56/506285656.db2.gz HESWCAJFNNUKMH-LJQANCHMSA-N 0 3 365.481 2.806 50 0 FFAAHN CC(=O)c1cccc(OC[C@@H](O)CN[C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000032899644 506307668 /nfs/dbraw/zinc/30/76/68/506307668.db2.gz BTEAYRBTNYNVAO-KDOFPFPSSA-N 0 3 371.433 2.751 50 0 FFAAHN C[C@@H]1CCCCN1CCNC(=O)c1cc(=O)n2c3ccccc3nc2s1 ZINC000033008854 506325028 /nfs/dbraw/zinc/32/50/28/506325028.db2.gz YASIUVLBQXMGFQ-CYBMUJFWSA-N 0 3 370.478 2.513 50 0 FFAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)C3CCCC3)CC2)n1 ZINC000033318270 506355200 /nfs/dbraw/zinc/35/52/00/506355200.db2.gz PXGHYYFNSBCTMJ-UHFFFAOYSA-N 0 3 357.502 2.614 50 0 FFAAHN COc1ccccc1N1CCN(C2CCN(Cc3ccncc3)CC2)CC1 ZINC000004703453 506390005 /nfs/dbraw/zinc/39/00/05/506390005.db2.gz BJVMKECGFMARDO-UHFFFAOYSA-N 0 3 366.509 2.877 50 0 FFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)NC1CCC2(CC1)OCCO2 ZINC000042929048 506680970 /nfs/dbraw/zinc/68/09/70/506680970.db2.gz QVBVSRGVYWCDBU-UHFFFAOYSA-N 0 3 373.497 2.636 50 0 FFAAHN O=C(CN1CCC[C@@H]1c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000010090674 506726362 /nfs/dbraw/zinc/72/63/62/506726362.db2.gz UXMKZSUIGWQULG-LJQANCHMSA-N 0 3 350.466 2.567 50 0 FFAAHN COC(=O)c1ccc(CN[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)cc1 ZINC000011814995 506795553 /nfs/dbraw/zinc/79/55/53/506795553.db2.gz DSZFKYMXOPGYCI-GOSISDBHSA-N 0 3 356.397 2.503 50 0 FFAAHN Cc1cccc(CN2CCC[C@](O)(CNCc3cccc(F)c3)C2=O)c1 ZINC000011817433 506797145 /nfs/dbraw/zinc/79/71/45/506797145.db2.gz BMIDHZXSQHAFJN-NRFANRHFSA-N 0 3 356.441 2.777 50 0 FFAAHN CN1CCCCC[C@@H]1C(=O)NCc1cccnc1-n1cnc2ccccc21 ZINC000011821757 506797765 /nfs/dbraw/zinc/79/77/65/506797765.db2.gz KWEQWYSXDCNCNM-LJQANCHMSA-N 0 3 363.465 2.911 50 0 FFAAHN CC(C)c1nccn1Cc1cc(C(=O)NCc2cc(C(C)(C)C)[nH]n2)[nH]n1 ZINC000012299652 506845902 /nfs/dbraw/zinc/84/59/02/506845902.db2.gz ZNBRZBWLBALERN-UHFFFAOYSA-N 0 3 369.473 2.729 50 0 FFAAHN O=C(Cc1cn2ccsc2n1)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012442639 506865920 /nfs/dbraw/zinc/86/59/20/506865920.db2.gz GXSLDJBEWBAXJS-KRWDZBQOSA-N 0 3 368.506 2.762 50 0 FFAAHN COC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@@H]1c1ccccc1C ZINC000013566223 506944363 /nfs/dbraw/zinc/94/43/63/506944363.db2.gz GYKGGYRCKBGYPY-RDTXWAMCSA-N 0 3 357.454 2.650 50 0 FFAAHN c1cnc(Oc2ccc(CN[C@H]3CCCN(c4ncccn4)C3)cc2)nc1 ZINC000015074501 507018210 /nfs/dbraw/zinc/01/82/10/507018210.db2.gz GFUIHSDMNJEKOZ-KRWDZBQOSA-N 0 3 362.437 2.818 50 0 FFAAHN COc1cc([C@@H]2ON=C(CN3CCCCC3)[C@H]2C)c(OC)c2c1OCO2 ZINC000015082562 507018321 /nfs/dbraw/zinc/01/83/21/507018321.db2.gz MFULGJJVWYIHNX-MLGOLLRUSA-N 0 3 362.426 2.982 50 0 FFAAHN CC[C@H]1CN(C(=O)c2coc(COc3cccc4cnccc43)n2)CCN1 ZINC000067881828 507037110 /nfs/dbraw/zinc/03/71/10/507037110.db2.gz KXMHDEHFORKZHM-HNNXBMFYSA-N 0 3 366.421 2.626 50 0 FFAAHN Cc1cc(CNC[C@]2(O)CCCN(CCc3ccccc3)C2=O)ccc1F ZINC000067894607 507044037 /nfs/dbraw/zinc/04/40/37/507044037.db2.gz CXEPEUSFPQVHPL-JOCHJYFZSA-N 0 3 370.468 2.820 50 0 FFAAHN O=C(NCCN1CCCCCC1)c1ccc2c(c1)NC(=O)[C@H]1CCCCN21 ZINC000015784632 507059346 /nfs/dbraw/zinc/05/93/46/507059346.db2.gz JEMYLTVJTAYCOW-LJQANCHMSA-N 0 3 370.497 2.603 50 0 FFAAHN CC[C@@H]1CN(C(=O)c2coc(COc3ccc4ncccc4c3)n2)CCN1 ZINC000067956046 507067037 /nfs/dbraw/zinc/06/70/37/507067037.db2.gz WDBPVSFSNCGUBT-OAHLLOKOSA-N 0 3 366.421 2.626 50 0 FFAAHN CC(=O)N(C)c1ccc(NC(=O)CNCCc2c[nH]c3ccccc23)cc1 ZINC000067982388 507073894 /nfs/dbraw/zinc/07/38/94/507073894.db2.gz KDMPIUZAPHNICI-UHFFFAOYSA-N 0 3 364.449 2.921 50 0 FFAAHN C[C@H]1CCCCN1CCNC(=O)COCc1cc(-c2cccs2)on1 ZINC000021528150 507257607 /nfs/dbraw/zinc/25/76/07/507257607.db2.gz SHLKPDALBGTCED-AWEZNQCLSA-N 0 3 363.483 2.910 50 0 FFAAHN CCCNc1nc(N2CCN(C3CCCCC3)CC2)nc2c1cnn2C ZINC000021929745 507274359 /nfs/dbraw/zinc/27/43/59/507274359.db2.gz FGVKGGAMCRVRRI-UHFFFAOYSA-N 0 3 357.506 2.640 50 0 FFAAHN CCOc1cc(CN2CCN(CC(C)C)[C@@H](CCO)C2)ccc1OC ZINC000022919160 507318560 /nfs/dbraw/zinc/31/85/60/507318560.db2.gz AYORRDXEBDOQDO-SFHVURJKSA-N 0 3 350.503 2.619 50 0 FFAAHN O=c1cc(CCc2ccccc2)nc(-c2cccc(CN3CC[NH2+]CC3)c2)[n-]1 ZINC000023250545 507340522 /nfs/dbraw/zinc/34/05/22/507340522.db2.gz NZUQSRVFFGJBAG-UHFFFAOYSA-N 0 3 374.488 2.627 50 0 FFAAHN CCC(CC)NC(=O)c1nnn(-c2cccc3c2CCN(CC)C3)c1C ZINC000069564883 507518153 /nfs/dbraw/zinc/51/81/53/507518153.db2.gz CMWVARDCVZTSRW-UHFFFAOYSA-N 0 3 355.486 2.872 50 0 FFAAHN CCc1nc(C)c([C@H]2CN(C)C[C@@H]2C(=O)NC(C)(C)c2ccccc2)[nH]1 ZINC000071756904 507712385 /nfs/dbraw/zinc/71/23/85/507712385.db2.gz QQJRDROMSMDXGJ-IRXDYDNUSA-N 0 3 354.498 2.977 50 0 FFAAHN CCOC(=O)c1ccc(CN2CCC[C@]3(C2)c2ccccc2N(C)C3=O)o1 ZINC000072132036 507752950 /nfs/dbraw/zinc/75/29/50/507752950.db2.gz QNJLRZDINLVZFB-NRFANRHFSA-N 0 3 368.433 2.967 50 0 FFAAHN Cc1ccc([C@@H]2CN(C(=O)c3ccc(N)nc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072163065 507764985 /nfs/dbraw/zinc/76/49/85/507764985.db2.gz XJSSRKSJDMYLJG-CEWLAPEOSA-N 0 3 362.477 2.675 50 0 FFAAHN CCOC(=O)CCNC(=O)N1CCCC[C@H]1c1ccc(CN(C)C)cc1 ZINC000072165089 507767263 /nfs/dbraw/zinc/76/72/63/507767263.db2.gz CTXUGEJOZQJLCP-SFHVURJKSA-N 0 3 361.486 2.938 50 0 FFAAHN O=C(c1cc(C2CC2)[nH]n1)N1CCN([C@H]2CCc3ccccc3C2)CC1 ZINC000072163701 507767408 /nfs/dbraw/zinc/76/74/08/507767408.db2.gz GWCXZKKINDJNTE-SFHVURJKSA-N 0 3 350.466 2.602 50 0 FFAAHN CN1CCC(N(Cc2ccncc2)C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000072169578 507769054 /nfs/dbraw/zinc/76/90/54/507769054.db2.gz VQADTGMZBWMHJY-UHFFFAOYSA-N 0 3 368.437 2.939 50 0 FFAAHN OCCN1CCC[C@@H](CNc2cc(-c3ccccc3)nc3ccnn32)C1 ZINC000072172766 507770118 /nfs/dbraw/zinc/77/01/18/507770118.db2.gz YDPGVKCQGFSXHD-INIZCTEOSA-N 0 3 351.454 2.513 50 0 FFAAHN CN(CCc1nc(-c2cccc(Cl)c2)no1)C1CCS(=O)CC1 ZINC000072308568 507774458 /nfs/dbraw/zinc/77/44/58/507774458.db2.gz GZRXVMNXXWMGPW-UHFFFAOYSA-N 0 3 353.875 2.775 50 0 FFAAHN NC(=O)COc1cccc(CN2CCC[C@@H](C(=O)Cc3ccccc3)C2)c1 ZINC000072410295 507785528 /nfs/dbraw/zinc/78/55/28/507785528.db2.gz MRYJMLNQQQBPMZ-LJQANCHMSA-N 0 3 366.461 2.575 50 0 FFAAHN OCCOc1ccc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000072421242 507787136 /nfs/dbraw/zinc/78/71/36/507787136.db2.gz SHBDBEPAFMDDER-JOCHJYFZSA-N 0 3 366.505 2.733 50 0 FFAAHN C[C@@H](C1CCN(C(=O)c2ccccc2N2CCCC2)CC1)N1CCOCC1 ZINC000072422716 507787652 /nfs/dbraw/zinc/78/76/52/507787652.db2.gz NVFLRMQFFXKYMZ-SFHVURJKSA-N 0 3 371.525 2.860 50 0 FFAAHN CC(C)c1cc([C@@H]2CCCN2C(=O)CCc2cc3n(n2)CCCNC3)no1 ZINC000072427791 507789345 /nfs/dbraw/zinc/78/93/45/507789345.db2.gz LFXZHTMBKGJOTH-SFHVURJKSA-N 0 3 371.485 2.784 50 0 FFAAHN Cc1nc(C2CCN(Cc3cnc(N4CCCC4)s3)CC2)cc(=O)[nH]1 ZINC000072448011 507793318 /nfs/dbraw/zinc/79/33/18/507793318.db2.gz SWUQTPHQZSDJQS-UHFFFAOYSA-N 0 3 359.499 2.515 50 0 FFAAHN CN1CCC(N(Cc2ccncc2)C(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC000091425712 507984999 /nfs/dbraw/zinc/98/49/99/507984999.db2.gz VILPSJMPJVKRJQ-IBGZPJMESA-N 0 3 365.477 2.756 50 0 FFAAHN CCNc1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cn1 ZINC000091657051 508000312 /nfs/dbraw/zinc/00/03/12/508000312.db2.gz MOFSRSFBOGZJTP-PKOBYXMFSA-N 0 3 365.481 2.645 50 0 FFAAHN CCn1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)cn1 ZINC000091706514 508004115 /nfs/dbraw/zinc/00/41/15/508004115.db2.gz CFZJTALALFFZOD-OXJNMPFZSA-N 0 3 364.493 2.607 50 0 FFAAHN CNc1nc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cs1 ZINC000091756106 508008909 /nfs/dbraw/zinc/00/89/09/508008909.db2.gz ONEWQWNJCVYLIY-JKSUJKDBSA-N 0 3 356.495 2.921 50 0 FFAAHN COc1ccc(CN2CC[C@]3(C2)CCCN(C)C3=O)c(Cl)c1OC ZINC000091770560 508010691 /nfs/dbraw/zinc/01/06/91/508010691.db2.gz XBKMDFOTLXMZGX-SFHVURJKSA-N 0 3 352.862 2.802 50 0 FFAAHN CCN1CC[C@@]2(CN(Cc3cccc(Cl)c3F)CCN2C)CCC1=O ZINC000091848749 508018919 /nfs/dbraw/zinc/01/89/19/508018919.db2.gz BYFCDOIMYWAQBS-LJQANCHMSA-N 0 3 367.896 2.998 50 0 FFAAHN CC1(C)CN(Cc2ccc(Cl)s2)CC[C@]1(O)CN1CCOCC1 ZINC000091871267 508020956 /nfs/dbraw/zinc/02/09/56/508020956.db2.gz WMPCVGKKZYZUSD-KRWDZBQOSA-N 0 3 358.935 2.697 50 0 FFAAHN COCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1c(OC)ccc3ccccc31)C2 ZINC000091893150 508022597 /nfs/dbraw/zinc/02/25/97/508022597.db2.gz KFBCSXHVLGIHAI-ZWKOTPCHSA-N 0 3 368.477 2.918 50 0 FFAAHN CC(=O)c1ccccc1C(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 ZINC000095354533 508174716 /nfs/dbraw/zinc/17/47/16/508174716.db2.gz BBTCUBQKYDMHPQ-KRWDZBQOSA-N 0 3 368.481 2.667 50 0 FFAAHN CC(C)c1nccn1[C@@H](C)C(=O)N1CCC(N2CCSCC2)CC1 ZINC000095370750 508178527 /nfs/dbraw/zinc/17/85/27/508178527.db2.gz HVFFOIKAMRJCBI-HNNXBMFYSA-N 0 3 350.532 2.607 50 0 FFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)NCCc2ccccc2)C1 ZINC000095379467 508180356 /nfs/dbraw/zinc/18/03/56/508180356.db2.gz KPTRPAWHSLURED-IBGZPJMESA-N 0 3 369.513 2.576 50 0 FFAAHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 ZINC000095452790 508185739 /nfs/dbraw/zinc/18/57/39/508185739.db2.gz YAINDUZPDCUSGM-TZMCWYRMSA-N 0 3 372.391 2.971 50 0 FFAAHN Cc1ccc(N2C[C@@H](C(=O)N(C)[C@@H](C)C3CCN(C)CC3)CC2=O)cc1 ZINC000095450525 508185854 /nfs/dbraw/zinc/18/58/54/508185854.db2.gz YZNUWNYNRPPUSS-WMZOPIPTSA-N 0 3 357.498 2.537 50 0 FFAAHN CC(C)S(=O)(=O)CC(=O)Nc1cccc(CCN2C[C@H](C)[C@H](C)C2)c1 ZINC000095465470 508186884 /nfs/dbraw/zinc/18/68/84/508186884.db2.gz GYKVQUULWFKIFU-IYBDPMFKSA-N 0 3 366.527 2.579 50 0 FFAAHN O[C@@H](COc1ccccc1CN1CCC1)CN1CCc2ccccc2C1 ZINC000095499336 508189549 /nfs/dbraw/zinc/18/95/49/508189549.db2.gz QPCNYJGKHSCYEO-OAQYLSRUSA-N 0 3 352.478 2.690 50 0 FFAAHN O[C@H](COc1ccccc1CN1CCC1)CN1CCc2ccccc2C1 ZINC000095499335 508189810 /nfs/dbraw/zinc/18/98/10/508189810.db2.gz QPCNYJGKHSCYEO-NRFANRHFSA-N 0 3 352.478 2.690 50 0 FFAAHN CC(C)n1ccnc1[C@@H]1CCCN(C(=O)CSCCN2CCCC2)C1 ZINC000095501664 508190732 /nfs/dbraw/zinc/19/07/32/508190732.db2.gz NWVRAJAVWRBXBT-QGZVFWFLSA-N 0 3 364.559 2.999 50 0 FFAAHN CCCN1CCc2nc[nH]c2C12CCN(C(=O)c1cc(C)ccc1O)CC2 ZINC000095510552 508192597 /nfs/dbraw/zinc/19/25/97/508192597.db2.gz QDZVYWKLNQZZRU-UHFFFAOYSA-N 0 3 368.481 2.823 50 0 FFAAHN CC(=O)c1cccc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)c1 ZINC000095526157 508195392 /nfs/dbraw/zinc/19/53/92/508195392.db2.gz SEMOXIYBTJVMQW-IBGZPJMESA-N 0 3 368.481 2.667 50 0 FFAAHN O[C@H]1CN[C@H](c2nc(C3(c4ccccc4)CC3)nn2-c2ccc(F)cc2)C1 ZINC000096148135 508208535 /nfs/dbraw/zinc/20/85/35/508208535.db2.gz MYNUQLRWIBZRJD-MSOLQXFVSA-N 0 3 364.424 2.882 50 0 FFAAHN C[C@](N)(Cc1ccccc1)c1nc(C2(c3ccccc3)CC2)nn1CCO ZINC000096150667 508208935 /nfs/dbraw/zinc/20/89/35/508208935.db2.gz HCACEFXGMQADHE-NRFANRHFSA-N 0 3 362.477 2.767 50 0 FFAAHN O=C1CC[C@@]2(CCCN(Cc3cnc[nH]3)C2)CN1CCc1ccccc1 ZINC000082098083 508225458 /nfs/dbraw/zinc/22/54/58/508225458.db2.gz NZCWBWOPHODGAA-OAQYLSRUSA-N 0 3 352.482 2.857 50 0 FFAAHN O=C(NC1CCN(Cc2cccs2)CC1)c1cc(C(F)(F)F)n[nH]1 ZINC000097713720 508229149 /nfs/dbraw/zinc/22/91/49/508229149.db2.gz JKSDSVOKBJZGBK-UHFFFAOYSA-N 0 3 358.389 2.884 50 0 FFAAHN O=C(NC1CC[NH+](Cc2cccs2)CC1)c1cc(C(F)(F)F)n[n-]1 ZINC000097713720 508229152 /nfs/dbraw/zinc/22/91/52/508229152.db2.gz JKSDSVOKBJZGBK-UHFFFAOYSA-N 0 3 358.389 2.884 50 0 FFAAHN O=C1Nc2ccccc2C12CCN(Cc1ccc(OCCO)cc1)CC2 ZINC000097823616 508230277 /nfs/dbraw/zinc/23/02/77/508230277.db2.gz RTPBARRFHTXSAI-UHFFFAOYSA-N 0 3 352.434 2.544 50 0 FFAAHN Cc1ccc(CNc2nn3c(nc(CN4CCCCCC4)cc3=O)[nH]2)cc1 ZINC000101796005 508257558 /nfs/dbraw/zinc/25/75/58/508257558.db2.gz APRLKDGWKJWFFD-UHFFFAOYSA-N 0 3 366.469 2.714 50 0 FFAAHN CCn1ncc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1C ZINC000077458140 508319327 /nfs/dbraw/zinc/31/93/27/508319327.db2.gz VMWIJNXCOGYCKD-UHFFFAOYSA-N 0 3 354.498 2.992 50 0 FFAAHN C[C@H](CC(=O)N1CCCN(C2Cc3ccccc3C2)CC1)n1cccn1 ZINC000077534846 508329669 /nfs/dbraw/zinc/32/96/69/508329669.db2.gz NVWXEUBBGAYFRI-QGZVFWFLSA-N 0 3 352.482 2.536 50 0 FFAAHN O=C(CCCN1Cc2ccccc2C1)NCc1nnc(-c2ccccc2)[nH]1 ZINC000215272986 509247271 /nfs/dbraw/zinc/24/72/71/509247271.db2.gz XKMRIUDRVBULFE-UHFFFAOYSA-N 0 3 361.449 2.884 50 0 FFAAHN O=C(CCCn1ccnc1)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC000221449086 509307952 /nfs/dbraw/zinc/30/79/52/509307952.db2.gz LDUHNWITSMLUNC-UXHICEINSA-N 0 3 352.482 2.786 50 0 FFAAHN CSc1ncc(C(=O)NC2CCN(CCc3ccccc3)CC2)cn1 ZINC000222375007 509316176 /nfs/dbraw/zinc/31/61/76/509316176.db2.gz LTHAMLHTSPTBNL-UHFFFAOYSA-N 0 3 356.495 2.635 50 0 FFAAHN Cc1ccc(F)c(C(=O)Nc2ccn(CCN(C)C)n2)c1Br ZINC000225589331 509377254 /nfs/dbraw/zinc/37/72/54/509377254.db2.gz BJYYFBJQICQIPY-UHFFFAOYSA-N 0 3 369.238 2.907 50 0 FFAAHN COc1cc(NC(=O)CCN2CCC[C@H](c3nccn3C)C2)cc(OC)c1 ZINC000252483768 509840930 /nfs/dbraw/zinc/84/09/30/509840930.db2.gz FHZZZWYPOKANSO-HNNXBMFYSA-N 0 3 372.469 2.646 50 0 FFAAHN COCCN1CCN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000252516605 509849632 /nfs/dbraw/zinc/84/96/32/509849632.db2.gz VAVVTFSAIJFJLS-QZTJIDSGSA-N 0 3 369.550 2.676 50 0 FFAAHN COc1ccc(C2(C(=O)N3CCCO[C@@H](CN4CCCCC4)C3)CC2)cc1 ZINC000244641201 509861430 /nfs/dbraw/zinc/86/14/30/509861430.db2.gz GLFGWARIDQEBSB-FQEVSTJZSA-N 0 3 372.509 2.830 50 0 FFAAHN C[C@H](CCC(=O)NCc1cc(-c2ccccc2F)no1)N1CCN(C)CC1 ZINC000244852743 509873835 /nfs/dbraw/zinc/87/38/35/509873835.db2.gz UXUASMKVLWOEGI-OAHLLOKOSA-N 0 3 374.460 2.513 50 0 FFAAHN CN(CCC(=O)Nc1nnc(C2CC2)s1)C[C@@H]1COc2ccccc2O1 ZINC000244875035 509874973 /nfs/dbraw/zinc/87/49/73/509874973.db2.gz XLMOSSRBUJDVMU-CYBMUJFWSA-N 0 3 374.466 2.516 50 0 FFAAHN CCc1nc(C2CCN([C@@H](C)C(=O)N(C)Cc3cccc(F)c3)CC2)n[nH]1 ZINC000190671607 510276313 /nfs/dbraw/zinc/27/63/13/510276313.db2.gz XWAUDMNPBOPXAF-AWEZNQCLSA-N 0 3 373.476 2.733 50 0 FFAAHN CCc1n[nH]c(C2CCN([C@@H](C)C(=O)N(C)Cc3cccc(F)c3)CC2)n1 ZINC000190671607 510276316 /nfs/dbraw/zinc/27/63/16/510276316.db2.gz XWAUDMNPBOPXAF-AWEZNQCLSA-N 0 3 373.476 2.733 50 0 FFAAHN CCc1nnc(C2CCN([C@@H](C)C(=O)N(C)Cc3cccc(F)c3)CC2)[nH]1 ZINC000190671607 510276321 /nfs/dbraw/zinc/27/63/21/510276321.db2.gz XWAUDMNPBOPXAF-AWEZNQCLSA-N 0 3 373.476 2.733 50 0 FFAAHN COC[C@H](Cc1ccccc1)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000185297601 510795478 /nfs/dbraw/zinc/79/54/78/510795478.db2.gz SXBDJYOCAANOGT-IBGZPJMESA-N 0 3 374.506 2.574 50 0 FFAAHN CN1CCC(OCCCNC(=O)COc2ccc3ccccc3c2)CC1 ZINC000299758247 511670839 /nfs/dbraw/zinc/67/08/39/511670839.db2.gz NMGPLVUIMDCCCM-UHFFFAOYSA-N 0 3 356.466 2.836 50 0 FFAAHN NCc1cccc(NC(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c1 ZINC000299766577 511672896 /nfs/dbraw/zinc/67/28/96/511672896.db2.gz FJRRSPANGSTZMQ-GOSISDBHSA-N 0 3 368.437 2.678 50 0 FFAAHN COCc1ccc(CN2CCOc3ccc([C@](C)(O)CN(C)C)cc3C2)o1 ZINC000299765830 511673422 /nfs/dbraw/zinc/67/34/22/511673422.db2.gz BWRVNGLWUOEGOJ-OAQYLSRUSA-N 0 3 374.481 2.590 50 0 FFAAHN O=C(CCCn1cncn1)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000299776399 511676010 /nfs/dbraw/zinc/67/60/10/511676010.db2.gz KJMPRQJDSCHVFK-IBGZPJMESA-N 0 3 355.486 2.792 50 0 FFAAHN CN1CCOC[C@@H](CNC(=O)Nc2ccccc2CCc2ccccn2)C1 ZINC000299785885 511680448 /nfs/dbraw/zinc/68/04/48/511680448.db2.gz KXLGIASSRFBDBJ-KRWDZBQOSA-N 0 3 368.481 2.567 50 0 FFAAHN Cc1ccsc1CN(CCN(C)C)C(=O)Cn1cc(Cl)c(C)n1 ZINC000299787737 511680516 /nfs/dbraw/zinc/68/05/16/511680516.db2.gz XMVCXZJKBPDRJV-UHFFFAOYSA-N 0 3 354.907 2.805 50 0 FFAAHN CCc1nc(CN(C)C(=O)NCCN2CC[C@@H](c3ccccc3C)C2)no1 ZINC000426474421 513950569 /nfs/dbraw/zinc/95/05/69/513950569.db2.gz VADNMVHAUYQHQI-MRXNPFEDSA-N 0 3 371.485 2.571 50 0 FFAAHN CN(Cc1cccs1)C(=O)NCC1(N2CCN(C)CC2)CCCCC1 ZINC000426527048 513970097 /nfs/dbraw/zinc/97/00/97/513970097.db2.gz VHOQBECBQZFJLY-UHFFFAOYSA-N 0 3 364.559 2.840 50 0 FFAAHN O=C(NCc1cnc2ccccc2c1)N1CCCO[C@@H](CN2CCCC2)C1 ZINC000426602574 513994039 /nfs/dbraw/zinc/99/40/39/513994039.db2.gz XRIJUZRMRMBPMR-IBGZPJMESA-N 0 3 368.481 2.631 50 0 FFAAHN Cc1ccc(CN(CCO)C(=O)NCc2ccccc2CN(C)C)cc1 ZINC000426715816 514021614 /nfs/dbraw/zinc/02/16/14/514021614.db2.gz CTUMUJNNYSZNEW-UHFFFAOYSA-N 0 3 355.482 2.761 50 0 FFAAHN C[C@@H](C(=O)NCCc1ccccc1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000514096662 516862421 /nfs/dbraw/zinc/86/24/21/516862421.db2.gz UQAXBRROQVPXKJ-HKUYNNGSSA-N 0 3 352.482 2.563 50 0 FFAAHN CCCN(Cc1nccn1C)C(=O)NC[C@@H](c1cccc(C)c1)N(C)C ZINC000534667793 517993205 /nfs/dbraw/zinc/99/32/05/517993205.db2.gz MBOAFAITXVHMSP-SFHVURJKSA-N 0 3 357.502 2.953 50 0 FFAAHN CCC1=NO[C@@H](CNC(=O)N(C)Cc2ccccc2CN2CCCC2)C1 ZINC000584887963 518523194 /nfs/dbraw/zinc/52/31/94/518523194.db2.gz YMRBMTCKCOGHOK-LJQANCHMSA-N 0 3 358.486 2.979 50 0 FFAAHN CCCN1CCCn2nc(CNC(=O)NCCc3ccccc3F)cc2C1 ZINC000082134384 519854892 /nfs/dbraw/zinc/85/48/92/519854892.db2.gz DVQSVRCAGVAXCA-UHFFFAOYSA-N 0 3 373.476 2.680 50 0 FFAAHN CCCN1CCCn2nc(CNC(=O)CCc3scnc3C)cc2C1 ZINC000082087204 519854937 /nfs/dbraw/zinc/85/49/37/519854937.db2.gz RABWNDKUMWBZIM-UHFFFAOYSA-N 0 3 361.515 2.513 50 0 FFAAHN CCOCc1cc(CN2CCN(C(C)C)[C@@H](CCO)C2)ccc1OC ZINC000020453344 520185733 /nfs/dbraw/zinc/18/57/33/520185733.db2.gz VVCKBPSRNDEGHD-IBGZPJMESA-N 0 3 350.503 2.509 50 0 FFAAHN CCOC(=O)c1n[nH]cc1CN(C)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000020541071 521595693 /nfs/dbraw/zinc/59/56/93/521595693.db2.gz UNFXTEPQWXYRGN-IBGZPJMESA-N 0 3 370.497 2.725 50 0 FFAAHN COCCn1ccnc1[C@H]1CCCN(C(=O)CN2CCCCCCC2)C1 ZINC000091644828 522138102 /nfs/dbraw/zinc/13/81/02/522138102.db2.gz HFJPWJGQNBDSDK-SFHVURJKSA-N 0 3 362.518 2.502 50 0 FFAAHN CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)CSc2ncccn2)C1 ZINC000020913103 522956894 /nfs/dbraw/zinc/95/68/94/522956894.db2.gz AEHCREPFHQUBLJ-GOSISDBHSA-N 0 3 370.522 2.734 50 0 FFAAHN COCCN1CCC(C[N@H+](C)[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)CC1 ZINC000055306975 523811500 /nfs/dbraw/zinc/81/15/00/523811500.db2.gz PWBBKZJUXQITTM-GOSISDBHSA-N 0 3 352.450 2.550 50 0 FFAAHN COCCN1CCC(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)CC1 ZINC000055306975 523811503 /nfs/dbraw/zinc/81/15/03/523811503.db2.gz PWBBKZJUXQITTM-GOSISDBHSA-N 0 3 352.450 2.550 50 0 FFAAHN COc1ccc(F)cc1C(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 ZINC000082126231 524301601 /nfs/dbraw/zinc/30/16/01/524301601.db2.gz YQKVAZHBOMUCDV-UHFFFAOYSA-N 0 3 374.460 2.823 50 0 FFAAHN COc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000019929925 524389616 /nfs/dbraw/zinc/38/96/16/524389616.db2.gz ZDCCBZGWOMQIBV-LJQANCHMSA-N 0 3 363.417 2.641 50 0 FFAAHN Cn1c(CN2CCCCCC2)nnc1C1CCN(Cc2ccncc2)CC1 ZINC000091636754 527054737 /nfs/dbraw/zinc/05/47/37/527054737.db2.gz JPEHCBBPUXYLEA-UHFFFAOYSA-N 0 3 368.529 2.966 50 0 FFAAHN CCc1cc(N2CCC(N3CCN(CC)CC3)CC2)n2nc(C)c(C)c2n1 ZINC000072417867 536144835 /nfs/dbraw/zinc/14/48/35/536144835.db2.gz DJHJXTRDFXJUOY-UHFFFAOYSA-N 0 3 370.545 2.515 50 0 FFAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000252482190 571131805 /nfs/dbraw/zinc/13/18/05/571131805.db2.gz DAGFBGSJTQGGOT-KRWDZBQOSA-N 0 3 352.434 2.943 50 0 FFAAHN COCCN1CCC[C@@]2(CCN(Cc3ccc(F)cc3Cl)C2)C1=O ZINC000014961932 727819089 /nfs/dbraw/zinc/81/90/89/727819089.db2.gz MXLDREMOKQTGDZ-SFHVURJKSA-N 0 3 354.853 2.940 50 0 FFAAHN CN(C(=O)c1csc2nc(-c3cccc(F)c3)cn12)[C@@H]1CCN(C)C1 ZINC000019334138 727831735 /nfs/dbraw/zinc/83/17/35/727831735.db2.gz ZUGRRWTVPYKOMI-CQSZACIVSA-N 0 3 358.442 2.978 50 0 FFAAHN OCC[C@@H]1CN(Cc2cnc(N3CCCC3)s2)CCN1C1CCCC1 ZINC000022913665 727841227 /nfs/dbraw/zinc/84/12/27/727841227.db2.gz SDXVWIGIIIFEEG-QGZVFWFLSA-N 0 3 364.559 2.555 50 0 FFAAHN C[C@@H]1NCCO[C@H]1c1ccc(-c2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000863979757 730818778 /nfs/dbraw/zinc/81/87/78/730818778.db2.gz QECPPQHXVIUADS-APPDUMDISA-N 0 3 366.870 2.704 50 0 FFAAHN Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)CN2CCCCCC2)n1 ZINC000952966868 740471324 /nfs/dbraw/zinc/47/13/24/740471324.db2.gz HBCHMCDVZUBCGS-ZDUSSCGKSA-N 0 3 360.424 2.839 50 0 FFAAHN Cc1nc(CN2CCn3nc(CN4CCC[C@H]4C)cc3C2)c2ccccn12 ZINC000106993063 976534140 /nfs/dbraw/zinc/53/41/40/976534140.db2.gz DWLMEWBXYZBFSG-MRXNPFEDSA-N 0 3 364.497 2.839 50 0 FFAAHN CCN(CCNC(=O)CC1=C2CCCC[C@H]2N(C)C1=O)Cc1ccccc1 ZINC000169785567 984964016 /nfs/dbraw/zinc/96/40/16/984964016.db2.gz JWAGKQJNSWTMCJ-HXUWFJFHSA-N 0 3 369.509 2.726 50 0 FFAAHN CC(C)(C)c1cc(CN2CCC[C@H](CNC(=O)c3cscn3)C2)n[nH]1 ZINC000828210175 999561226 /nfs/dbraw/zinc/56/12/26/999561226.db2.gz WPCZNGQOLRUNEP-CYBMUJFWSA-N 0 3 361.515 2.806 50 0 FFAAHN CN1CCCN(C(=O)CN2C(=O)C3(CCCCC3)[C@H]2c2ccccc2)CC1 ZINC000581801373 999945657 /nfs/dbraw/zinc/94/56/57/999945657.db2.gz HCFMDWPQFPJTCJ-HXUWFJFHSA-N 0 3 369.509 2.685 50 0 FFAAHN Cc1cnc(C2CCOCC2)n1[C@@H]1CCN(C(=O)CN2CCCCCC2)C1 ZINC000581808644 999948511 /nfs/dbraw/zinc/94/85/11/999948511.db2.gz ZWMCSYWXIVZFIE-LJQANCHMSA-N 0 3 374.529 2.735 50 0 FFAAHN O=C([C@H]1CCCN(Cc2ccco2)C1)N(Cc1cocn1)Cc1cocn1 ZINC000952866865 1011010701 /nfs/dbraw/zinc/01/07/01/1011010701.db2.gz GRWHQEFRBVNOAD-HNNXBMFYSA-N 0 3 370.409 2.697 50 0 FFAAHN O=C(c1ccco1)N1CCC[C@@H](NCc2cnc(-c3ccccn3)nc2)C1 ZINC000952979552 1011025736 /nfs/dbraw/zinc/02/57/36/1011025736.db2.gz UHRHJFFVHUMXQD-MRXNPFEDSA-N 0 3 363.421 2.526 50 0 FFAAHN COc1cccc(CN2CCN(C3Cc4ccccc4C3)CCC2=O)c1 ZINC000014990793 1021739888 /nfs/dbraw/zinc/73/98/88/1021739888.db2.gz RWJYKHFITYNNDA-UHFFFAOYSA-N 0 3 350.462 2.897 50 0 FFAAHN COc1ccc2oc(CNC3CCN(C(=O)c4ccncc4)CC3)nc2c1 ZINC001506407364 1059498431 /nfs/dbraw/zinc/49/84/31/1059498431.db2.gz NOJWUUQUHNGOBK-UHFFFAOYSA-N 0 3 366.421 2.626 50 0 FFAAHN COc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1Cl ZINC000010544061 204398416 /nfs/dbraw/zinc/39/84/16/204398416.db2.gz DDVDIJUTCFZIKD-KBPBESRZSA-N 0 3 374.934 2.995 50 0 FFAAHN COCCCN(Cc1ccc(OC)cc1)C[C@H](O)COCc1ccco1 ZINC000036095210 205003478 /nfs/dbraw/zinc/00/34/78/205003478.db2.gz CFJUFPRLXYJXBX-SFHVURJKSA-N 0 3 363.454 2.704 50 0 FFAAHN O=C(CCN(C[C@H]1CCCO1)C[C@@H]1CCCO1)Nc1cccc(F)c1 ZINC000040120172 205056814 /nfs/dbraw/zinc/05/68/14/205056814.db2.gz JGUPKDXCEBBLMT-HDICACEKSA-N 0 3 350.434 2.814 50 0 FFAAHN CC(=O)Oc1c(C)cc(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000055061133 205205212 /nfs/dbraw/zinc/20/52/12/205205212.db2.gz MATTWJJQNHFRLI-UHFFFAOYSA-N 0 3 351.410 2.699 50 0 FFAAHN CN(C)CCOc1ccc(CNC(=O)c2ccc(Br)o2)cc1 ZINC000053992160 205196114 /nfs/dbraw/zinc/19/61/14/205196114.db2.gz OWKUPMYNKRUZDL-UHFFFAOYSA-N 0 3 367.243 2.913 50 0 FFAAHN CN(C)Cc1ccccc1CNC(=O)CCCNC(=O)c1ccsc1 ZINC000057899100 205245443 /nfs/dbraw/zinc/24/54/43/205245443.db2.gz IJKYLZNAHYDHQK-UHFFFAOYSA-N 0 3 359.495 2.636 50 0 FFAAHN CN1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)CCC4)cn2)CC1 ZINC000058157443 205251041 /nfs/dbraw/zinc/25/10/41/205251041.db2.gz NPRHDAHYDJUPHM-UHFFFAOYSA-N 0 3 364.493 2.642 50 0 FFAAHN CCN1CCN(CCCNC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)CC1 ZINC000058225120 205265678 /nfs/dbraw/zinc/26/56/78/205265678.db2.gz DGZNVABSDIOQSN-MRXNPFEDSA-N 0 3 367.921 2.560 50 0 FFAAHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NC[C@@H]1CCCO1 ZINC000058054802 205248397 /nfs/dbraw/zinc/24/83/97/205248397.db2.gz ZGWPPAPDCGDBNY-RBUKOAKNSA-N 0 3 359.514 2.938 50 0 FFAAHN C[C@@H](CNC(=O)NC[C@H]1CCN(c2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000061957328 205289737 /nfs/dbraw/zinc/28/97/37/205289737.db2.gz BXYZIONQJQONMS-CEXWTWQISA-N 0 3 358.530 2.933 50 0 FFAAHN CCOc1cc(CNc2nc(C)nc3c2CCN(C)CC3)ccc1OC ZINC000065526194 205356417 /nfs/dbraw/zinc/35/64/17/205356417.db2.gz ODEKWWVXNKRTJV-UHFFFAOYSA-N 0 3 356.470 2.835 50 0 FFAAHN CCNc1cc(N2CCN(C(=O)Nc3ccccc3C)CC2)nc(C)n1 ZINC000065364239 205339507 /nfs/dbraw/zinc/33/95/07/205339507.db2.gz GFDMLJOPHRRAPM-UHFFFAOYSA-N 0 3 354.458 2.879 50 0 FFAAHN O=C(c1cc2n(n1)CCCNC2)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000065395805 205345056 /nfs/dbraw/zinc/34/50/56/205345056.db2.gz PRFOXZRBWOFSPA-UHFFFAOYSA-N 0 3 362.836 2.974 50 0 FFAAHN Cc1cc(C)nc(NC(=O)c2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000065406419 205349243 /nfs/dbraw/zinc/34/92/43/205349243.db2.gz GTXCIAHOFWWYNZ-GOSISDBHSA-N 0 3 366.465 2.648 50 0 FFAAHN CC(C)N(CCO)Cc1cccc(C(=O)Nc2nnc(C3CC3)s2)c1 ZINC000067432005 205371424 /nfs/dbraw/zinc/37/14/24/205371424.db2.gz LZKRDFRTCDWUNY-UHFFFAOYSA-N 0 3 360.483 2.871 50 0 FFAAHN CN(CCc1ccccn1)C[C@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067513628 205374399 /nfs/dbraw/zinc/37/43/99/205374399.db2.gz DAOBNYSXZABTGD-JOCHJYFZSA-N 0 3 373.541 2.880 50 0 FFAAHN CCn1c(=O)n(C)nc1C1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000067673205 205380320 /nfs/dbraw/zinc/38/03/20/205380320.db2.gz WYXBPQMBLMMGRT-UHFFFAOYSA-N 0 3 367.453 2.636 50 0 FFAAHN CCc1c2ccccc2[nH]c1C(=O)N1CCC2(CC1)CN(C)CCN2C ZINC000067723543 205384961 /nfs/dbraw/zinc/38/49/61/205384961.db2.gz ZDVNJQHHTQECAP-UHFFFAOYSA-N 0 3 354.498 2.582 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N3CCc4sccc4C3)cnn2c1 ZINC000067819862 205393998 /nfs/dbraw/zinc/39/39/98/205393998.db2.gz UMWANJJEUQZTBX-UHFFFAOYSA-N 0 3 369.494 2.831 50 0 FFAAHN Cc1ccc2[nH]c(CCCNc3nc(C)nc4c3CCNC4)nc2c1C ZINC000067723891 205388188 /nfs/dbraw/zinc/38/81/88/205388188.db2.gz MFBQQEGXWXJSJY-UHFFFAOYSA-N 0 3 350.470 2.969 50 0 FFAAHN Cc1ccc2nc(CCCNc3nc(C)nc4c3CCNC4)[nH]c2c1C ZINC000067723891 205388193 /nfs/dbraw/zinc/38/81/93/205388193.db2.gz MFBQQEGXWXJSJY-UHFFFAOYSA-N 0 3 350.470 2.969 50 0 FFAAHN Cc1cc(CNC[C@]2(O)CCCN(CCC3CCCCC3)C2=O)ccn1 ZINC000067849944 205396951 /nfs/dbraw/zinc/39/69/51/205396951.db2.gz WYAIWGFVBXFTHZ-OAQYLSRUSA-N 0 3 359.514 2.804 50 0 FFAAHN Cc1cc(C)nc(CCNC(=O)CN2CCC[C@H](c3ccccc3)C2)n1 ZINC000095392772 205752075 /nfs/dbraw/zinc/75/20/75/205752075.db2.gz UTSZOEYGUVMRIY-IBGZPJMESA-N 0 3 352.482 2.632 50 0 FFAAHN C[C@@H]1CN(S(=O)(=O)NC2(c3ccc(Cl)cc3)CCC2)C[C@@H](C)O1 ZINC000095389749 205752383 /nfs/dbraw/zinc/75/23/83/205752383.db2.gz XNHHCKSRYYWDLP-CHWSQXEVSA-N 0 3 358.891 2.663 50 0 FFAAHN Cc1cc(=O)n2nc(NC[C@@H](c3ccccc3)N3CCCC3)sc2n1 ZINC000048332543 206082305 /nfs/dbraw/zinc/08/23/05/206082305.db2.gz RLQQRURRHUWOFM-HNNXBMFYSA-N 0 3 355.467 2.708 50 0 FFAAHN COc1ccc(CN(CCN2C(=O)c3ccccc3C2=O)C2CC2)cc1 ZINC000007661733 206210972 /nfs/dbraw/zinc/21/09/72/206210972.db2.gz RILZOFRLYANEEZ-UHFFFAOYSA-N 0 3 350.418 2.956 50 0 FFAAHN CN(C)c1ccc(-c2cncc(C(=O)N3CCC[C@H](N(C)C)C3)c2)cc1 ZINC000153494007 206215501 /nfs/dbraw/zinc/21/55/01/206215501.db2.gz FZDKOLBARRECKA-FQEVSTJZSA-N 0 3 352.482 2.981 50 0 FFAAHN C[C@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)N1CCC[C@H](C)C1 ZINC000106147948 206233016 /nfs/dbraw/zinc/23/30/16/206233016.db2.gz VUYNOIDTMWFSKW-UONOGXRCSA-N 0 3 365.909 2.580 50 0 FFAAHN COc1cc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)ccc1O ZINC000104482282 206237219 /nfs/dbraw/zinc/23/72/19/206237219.db2.gz WKKLPXJTWWXHQQ-HXUWFJFHSA-N 0 3 370.493 2.778 50 0 FFAAHN Cc1ccn(C)c1C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000170603266 206273526 /nfs/dbraw/zinc/27/35/26/206273526.db2.gz NNFTTZHRAMBFEF-UHFFFAOYSA-N 0 3 368.525 2.661 50 0 FFAAHN CCOC(=O)N1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000010691296 206281251 /nfs/dbraw/zinc/28/12/51/206281251.db2.gz JPTQIZIXHICOPE-UHFFFAOYSA-N 0 3 359.470 2.587 50 0 FFAAHN CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccsc3)CC2)[C@H]1O ZINC000019229347 206333438 /nfs/dbraw/zinc/33/34/38/206333438.db2.gz QDHLNONWNPGMIA-MSOLQXFVSA-N 0 3 356.491 2.899 50 0 FFAAHN Cc1ccc(-c2ccccc2CN2CCN(CCN3CCOCC3)CC2)o1 ZINC000215398676 206346330 /nfs/dbraw/zinc/34/63/30/206346330.db2.gz ILXCLRKUHNTINI-UHFFFAOYSA-N 0 3 369.509 2.705 50 0 FFAAHN COc1cc(SC)c(OC)cc1CN1CCN(C2CCOCC2)CC1 ZINC000216112926 206356981 /nfs/dbraw/zinc/35/69/81/206356981.db2.gz VOZIZJYIXRZPBF-UHFFFAOYSA-N 0 3 366.527 2.722 50 0 FFAAHN COc1ccc(-n2cccn2)c(CN2CCC(c3ccnc(N)n3)CC2)c1 ZINC000216371185 206358625 /nfs/dbraw/zinc/35/86/25/206358625.db2.gz DKWIKBPCELLGDC-UHFFFAOYSA-N 0 3 364.453 2.633 50 0 FFAAHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCc1ccncc1OCCN(C)C ZINC000332053639 258211783 /nfs/dbraw/zinc/21/17/83/258211783.db2.gz NRLRYWVGPKVKOB-NUJGCVRESA-N 0 3 360.502 2.885 50 0 FFAAHN Cc1cccc(N2CCN(CCC(=O)N(C)[C@@H](C)c3ccon3)CC2)c1 ZINC000095354066 132207124 /nfs/dbraw/zinc/20/71/24/132207124.db2.gz LOOHRXKFFCURJP-KRWDZBQOSA-N 0 3 356.470 2.715 50 0 FFAAHN Cc1ccc2cc(CN3CCC[C@@H]3C)c(N3CCN(CCO)CC3)nc2c1 ZINC000252479826 132292281 /nfs/dbraw/zinc/29/22/81/132292281.db2.gz BNHLQGHDLDQBSL-SFHVURJKSA-N 0 3 368.525 2.642 50 0 FFAAHN Cc1cc(F)ccc1N1CCC(N2CCN(C(C)C)[C@H](CCO)C2)CC1 ZINC000038149262 136118477 /nfs/dbraw/zinc/11/84/77/136118477.db2.gz CKGGQKOOZIRPIP-HXUWFJFHSA-N 0 3 363.521 2.880 50 0 FFAAHN C[C@@H](CC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)C1CC1 ZINC000058403255 136131688 /nfs/dbraw/zinc/13/16/88/136131688.db2.gz UGFOLYLSDHROCJ-OALUTQOASA-N 0 3 370.541 2.878 50 0 FFAAHN CSc1cccc(CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000426691145 263658373 /nfs/dbraw/zinc/65/83/73/263658373.db2.gz GITGTXPEJNGEHW-MRXNPFEDSA-N 0 3 351.516 2.661 50 0 FFAAHN O=C(CCN1CC[C@](O)(c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000000889977 506238988 /nfs/dbraw/zinc/23/89/88/506238988.db2.gz XJVJPVLPZVERKG-OAQYLSRUSA-N 0 3 353.418 2.624 50 0 FFAAHN O=C(c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1)N1CCCCC1 ZINC000065256041 506275669 /nfs/dbraw/zinc/27/56/69/506275669.db2.gz HXJVGGYUBCSVLO-LJQANCHMSA-N 0 3 350.466 2.859 50 0 FFAAHN CCN(CC)[C@@H](CNC(=O)[C@H]1CCCN(C(C)=O)C1)c1ccsc1 ZINC000032915214 506310584 /nfs/dbraw/zinc/31/05/84/506310584.db2.gz LVAOUCHDKOREOD-RDJZCZTQSA-N 0 3 351.516 2.506 50 0 FFAAHN Cc1ccc(C)c(Oc2ccc(CNC(=O)C(C)S(C)(=O)=O)cn2)c1 ZINC000040142283 506471677 /nfs/dbraw/zinc/47/16/77/506471677.db2.gz JXQAAOJUOVCITN-CQSZACIVSA-N 0 3 362.451 2.540 50 0 FFAAHN O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCN(c2ccccc2)CC1 ZINC000007095282 506534296 /nfs/dbraw/zinc/53/42/96/506534296.db2.gz QMOYIPUZGYPSNF-HXUWFJFHSA-N 0 3 364.493 2.642 50 0 FFAAHN CCN(CC)CC(=O)N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 ZINC000011874472 506802072 /nfs/dbraw/zinc/80/20/72/506802072.db2.gz BVCNTNXMEHBMGW-KRWDZBQOSA-N 0 3 362.424 2.986 50 0 FFAAHN COc1ncccc1C(=O)N[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000012373783 506855114 /nfs/dbraw/zinc/85/51/14/506855114.db2.gz ASODEZBJPZVJBY-SFHVURJKSA-N 0 3 353.466 2.917 50 0 FFAAHN CN1CCC(CN(CCc2ccccc2)C(=O)CCc2cnccn2)CC1 ZINC000012455256 506867475 /nfs/dbraw/zinc/86/74/75/506867475.db2.gz YGVYRJYMKPDVTE-UHFFFAOYSA-N 0 3 366.509 2.822 50 0 FFAAHN Cc1ncc(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)s1 ZINC000012474678 506867730 /nfs/dbraw/zinc/86/77/30/506867730.db2.gz JZAPNPFJVHBUFU-INIZCTEOSA-N 0 3 351.516 2.739 50 0 FFAAHN Cc1ccn(CCC(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)n1 ZINC000012713901 506891873 /nfs/dbraw/zinc/89/18/73/506891873.db2.gz DQWNDFOQXZONHX-HXUWFJFHSA-N 0 3 354.498 2.795 50 0 FFAAHN CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1ccco1)C2 ZINC000014533600 506993564 /nfs/dbraw/zinc/99/35/64/506993564.db2.gz MCOIAOGVGWJAQE-HNNXBMFYSA-N 0 3 356.470 2.769 50 0 FFAAHN Cc1cccc(CN2CCC[C@@](O)(CNCc3ccc(F)c(F)c3)C2=O)c1 ZINC000014952834 507007783 /nfs/dbraw/zinc/00/77/83/507007783.db2.gz NEIHBQKJTRVUPM-OAQYLSRUSA-N 0 3 374.431 2.917 50 0 FFAAHN CSCCN1C(=O)CC[C@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000015069477 507015268 /nfs/dbraw/zinc/01/52/68/507015268.db2.gz PUVBSBLTFKJBQZ-ZDUSSCGKSA-N 0 3 370.902 2.902 50 0 FFAAHN Cc1cccc(C)c1OCc1cc(C(=O)N2CCN3CCC[C@@H]3C2)no1 ZINC000015063534 507016634 /nfs/dbraw/zinc/01/66/34/507016634.db2.gz VYJNXDBYXHVJGP-MRXNPFEDSA-N 0 3 355.438 2.791 50 0 FFAAHN Cc1cc(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3F)C2)[nH]n1 ZINC000015073207 507017564 /nfs/dbraw/zinc/01/75/64/507017564.db2.gz UHHPNHPNTDUIJX-MRXNPFEDSA-N 0 3 358.461 2.884 50 0 FFAAHN Cc1cc(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3F)C2)n[nH]1 ZINC000015073207 507017570 /nfs/dbraw/zinc/01/75/70/507017570.db2.gz UHHPNHPNTDUIJX-MRXNPFEDSA-N 0 3 358.461 2.884 50 0 FFAAHN C[N@@H+]1CCCN(Cc2ccccc2-c2nc3c(c(=O)[n-]2)CCCCC3)CC1 ZINC000019731633 507196338 /nfs/dbraw/zinc/19/63/38/507196338.db2.gz NEVKIFIYIJJGHU-UHFFFAOYSA-N 0 3 366.509 2.843 50 0 FFAAHN C[N@H+]1CCCN(Cc2ccccc2-c2nc3c(c(=O)[n-]2)CCCCC3)CC1 ZINC000019731633 507196339 /nfs/dbraw/zinc/19/63/39/507196339.db2.gz NEVKIFIYIJJGHU-UHFFFAOYSA-N 0 3 366.509 2.843 50 0 FFAAHN COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000020500873 507224429 /nfs/dbraw/zinc/22/44/29/507224429.db2.gz HHAKUAJFLTUUIH-GOSISDBHSA-N 0 3 357.454 2.570 50 0 FFAAHN CCc1ccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1 ZINC000021795009 507268590 /nfs/dbraw/zinc/26/85/90/507268590.db2.gz ULVJXSRENXUDOV-UHFFFAOYSA-N 0 3 368.485 2.768 50 0 FFAAHN CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1cc(F)ccc1F ZINC000021868454 507271011 /nfs/dbraw/zinc/27/10/11/507271011.db2.gz CWDOWDATNKQAEV-UHFFFAOYSA-N 0 3 350.365 2.631 50 0 biogenic FFAAHN COC(=O)c1ccc(OC[C@H]2NCCc3cc(OC)c(OC)cc32)cc1 ZINC000022405272 507290613 /nfs/dbraw/zinc/29/06/13/507290613.db2.gz CJOVVVGWWPLTDV-QGZVFWFLSA-N 0 3 357.406 2.756 50 0 biogenic FFAAHN CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3cccc(F)c3)CC2)[C@H]1O ZINC000023153251 507335917 /nfs/dbraw/zinc/33/59/17/507335917.db2.gz JVMWPDXVPBWYRA-UXHICEINSA-N 0 3 368.452 2.977 50 0 FFAAHN Cc1cc(C)c(CN2CCC[C@@H](N3CCOCC3)C2)c(-n2cccn2)c1 ZINC000023358358 507347024 /nfs/dbraw/zinc/34/70/24/507347024.db2.gz QLWPIKPVHCIZOR-LJQANCHMSA-N 0 3 354.498 2.786 50 0 FFAAHN Cc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 ZINC000025368192 507494466 /nfs/dbraw/zinc/49/44/66/507494466.db2.gz FEMOJTRGCBCLQI-PXNSSMCTSA-N 0 3 366.465 2.975 50 0 FFAAHN CC(C)C(=O)NC[C@H]1CCCN(CCCOc2ccc3c(c2)OCO3)C1 ZINC000060361086 507530512 /nfs/dbraw/zinc/53/05/12/507530512.db2.gz LVAJUEXAPFXQBM-MRXNPFEDSA-N 0 3 362.470 2.668 50 0 FFAAHN CC(C)[C@@H]1CN(CCn2cccn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071738718 507707631 /nfs/dbraw/zinc/70/76/31/507707631.db2.gz MIJLFUMHZFXYCX-IBGZPJMESA-N 0 3 358.461 2.781 50 0 FFAAHN Cc1ccc(CN2CCN(Cc3cc(CN(C)C)cs3)CC2=O)cc1 ZINC000072133419 507755080 /nfs/dbraw/zinc/75/50/80/507755080.db2.gz KYTMEACLDSUVJD-UHFFFAOYSA-N 0 3 357.523 2.963 50 0 FFAAHN CN(CCNC(=O)C1CCN(Cc2cccnc2)CC1)Cc1ccccc1 ZINC000072294942 507772410 /nfs/dbraw/zinc/77/24/10/507772410.db2.gz CQNJVKBWPRVYOL-UHFFFAOYSA-N 0 3 366.509 2.542 50 0 FFAAHN C[C@H](C1CCN(C(=O)c2ccccc2N2CCCC2)CC1)N1CCOCC1 ZINC000072422717 507787532 /nfs/dbraw/zinc/78/75/32/507787532.db2.gz NVFLRMQFFXKYMZ-GOSISDBHSA-N 0 3 371.525 2.860 50 0 FFAAHN CN(C)C(=O)c1ccc(N[C@H]2CCCN(CCc3ccccc3)C2)nc1 ZINC000072428259 507789362 /nfs/dbraw/zinc/78/93/62/507789362.db2.gz VFQZSLFOSZYCOD-IBGZPJMESA-N 0 3 352.482 2.902 50 0 FFAAHN O=C(c1ccnn1C(F)F)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072431238 507789586 /nfs/dbraw/zinc/78/95/86/507789586.db2.gz KOVQZVPGTPBMHP-UHFFFAOYSA-N 0 3 360.408 2.941 50 0 FFAAHN CN(C)Cc1nnc([C@@H]2CCCN(Cc3cc4ccccc4n3C)C2)n1C ZINC000072431522 507790516 /nfs/dbraw/zinc/79/05/16/507790516.db2.gz ONMZHABEXFCJEA-QGZVFWFLSA-N 0 3 366.513 2.748 50 0 FFAAHN CC(C)c1cc(NCC2(N3CCN(C)CC3)CCCC2)n2nccc2n1 ZINC000072434402 507791738 /nfs/dbraw/zinc/79/17/38/507791738.db2.gz GUQSCSKPUJLYDV-UHFFFAOYSA-N 0 3 356.518 2.825 50 0 FFAAHN O=C(c1n[nH]c2ccccc21)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000072439950 507792136 /nfs/dbraw/zinc/79/21/36/507792136.db2.gz YDAJZYCYFDLAQR-UHFFFAOYSA-N 0 3 360.461 2.878 50 0 FFAAHN Cc1nn(C)c(C)c1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000031765671 507821690 /nfs/dbraw/zinc/82/16/90/507821690.db2.gz RKIFEBJPWCPIPH-UHFFFAOYSA-N 0 3 354.498 2.622 50 0 FFAAHN O=C(CCc1ccc(Cl)cc1Cl)N1C[C@@H](O)[C@@H](N2CCCC2)C1 ZINC000089768392 507863743 /nfs/dbraw/zinc/86/37/43/507863743.db2.gz VJMCQIDUVOAYOA-JKSUJKDBSA-N 0 3 357.281 2.594 50 0 FFAAHN Cc1ccc2[nH]c(CN3CCC([C@@H](C)N4CCOCC4)CC3)cc(=O)c2c1 ZINC000091444623 507986119 /nfs/dbraw/zinc/98/61/19/507986119.db2.gz YYTPIWCOJKAEQZ-QGZVFWFLSA-N 0 3 369.509 2.769 50 0 FFAAHN Cc1ncc2c(c1CNC(=O)c1ccc([C@H]3CCCO3)s1)CCNC2 ZINC000091444894 507986173 /nfs/dbraw/zinc/98/61/73/507986173.db2.gz WDQOXLILYOCYCU-MRXNPFEDSA-N 0 3 357.479 2.879 50 0 FFAAHN Cc1c(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C)C3)cnn1C ZINC000091460645 507988311 /nfs/dbraw/zinc/98/83/11/507988311.db2.gz PVJBRINLQBCXAP-HXUWFJFHSA-N 0 3 366.509 2.957 50 0 FFAAHN Cc1c(CN2CC[C@@](O)(CN3CCOCC3)C(C)(C)C2)[nH]c2ccccc12 ZINC000091487120 507989847 /nfs/dbraw/zinc/98/98/47/507989847.db2.gz UQZPJSUCHVWYGY-JOCHJYFZSA-N 0 3 371.525 2.772 50 0 FFAAHN CCCOc1ccccc1CN1CCN(C)[C@@]2(C1)CCC(=O)N(CC)CC2 ZINC000091593364 507994423 /nfs/dbraw/zinc/99/44/23/507994423.db2.gz TZHKHOKBMVDZAO-QFIPXVFZSA-N 0 3 373.541 2.994 50 0 FFAAHN CC(C)(C)c1oc(C(N)=O)cc1CN1C[C@H]2CC[C@H](CN2CC2CC2)C1 ZINC000091625291 507996910 /nfs/dbraw/zinc/99/69/10/507996910.db2.gz MINDRUKJEUFWNS-DOTOQJQBSA-N 0 3 359.514 2.982 50 0 FFAAHN Cc1ccc2[nH]c([C@@H](C)NC(=O)c3cnc(-c4ccccn4)nc3O)nc2c1 ZINC000091624591 507997011 /nfs/dbraw/zinc/99/70/11/507997011.db2.gz UNVQZUVSXTZGEU-GFCCVEGCSA-N 0 3 374.404 2.920 50 0 FFAAHN Cc1ccc2nc([C@@H](C)NC(=O)c3cnc(-c4ccccn4)nc3O)[nH]c2c1 ZINC000091624591 507997014 /nfs/dbraw/zinc/99/70/14/507997014.db2.gz UNVQZUVSXTZGEU-GFCCVEGCSA-N 0 3 374.404 2.920 50 0 FFAAHN Cc1[nH]nc(CN2CC[C@]3(C2)CCCN(CC2CCC2)C3=O)c1Cl ZINC000091986554 508030436 /nfs/dbraw/zinc/03/04/36/508030436.db2.gz CMKROLJZWWJLSD-SFHVURJKSA-N 0 3 350.894 2.986 50 0 FFAAHN CN(C)CCN1CC2(CCC1=O)CCN(C(=O)N(C)c1ccccc1)CC2 ZINC000092045525 508036986 /nfs/dbraw/zinc/03/69/86/508036986.db2.gz FIMXBEXDWIBYDC-UHFFFAOYSA-N 0 3 372.513 2.509 50 0 FFAAHN Cc1[nH]c2c(c1CC(=O)NCCN1CCCC[C@@H]1CO)c(C)ccc2C ZINC000092078241 508041520 /nfs/dbraw/zinc/04/15/20/508041520.db2.gz BWKOKOCSPCKUDK-QGZVFWFLSA-N 0 3 357.498 2.599 50 0 FFAAHN CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1nn(C)c(C)c1Cl)C2 ZINC000092098855 508042995 /nfs/dbraw/zinc/04/29/95/508042995.db2.gz LDLCXTKYVGKNAU-HUUCEWRRSA-N 0 3 350.894 2.885 50 0 FFAAHN CNc1nc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)cs1 ZINC000095355335 508174724 /nfs/dbraw/zinc/17/47/24/508174724.db2.gz QYWPWMUYERNQSP-HZPDHXFCSA-N 0 3 356.495 2.921 50 0 FFAAHN CC(C)c1cc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)no1 ZINC000095361525 508175997 /nfs/dbraw/zinc/17/59/97/508175997.db2.gz PHCWBVXNJSQREK-HNNXBMFYSA-N 0 3 359.474 2.576 50 0 FFAAHN Cc1ccnc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000095390412 508183609 /nfs/dbraw/zinc/18/36/09/508183609.db2.gz KZMBMTLMJKHSMB-PWIZWCRZSA-N 0 3 364.449 2.580 50 0 FFAAHN Cc1nc(C2CC[NH+](C[C@@H]3CCOc4ccccc4C3)CC2)cc(=O)[n-]1 ZINC000095498767 508189900 /nfs/dbraw/zinc/18/99/00/508189900.db2.gz GCVMKUGSNXYEJN-MRXNPFEDSA-N 0 3 353.466 2.899 50 0 FFAAHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cc(Cl)ccc1-n1cncn1)C2 ZINC000095504503 508191178 /nfs/dbraw/zinc/19/11/78/508191178.db2.gz ZDRQRXRRMKYSLB-UONOGXRCSA-N 0 3 360.849 2.621 50 0 FFAAHN Cc1cc(CC(=O)N(CCc2ccccc2)C[C@@H]2CCCN(C)C2)on1 ZINC000095522814 508194721 /nfs/dbraw/zinc/19/47/21/508194721.db2.gz YOVFZIGMARQRCZ-LJQANCHMSA-N 0 3 355.482 2.939 50 0 FFAAHN O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1)N1CCOCC1 ZINC000095522313 508195048 /nfs/dbraw/zinc/19/50/48/508195048.db2.gz GCGWHWMATCAKEX-UHFFFAOYSA-N 0 3 364.489 2.927 50 0 FFAAHN CCOCc1nc([C@H]2CC(=O)Nc3ccccc32)n(C2CCN(C)CC2)n1 ZINC000095528945 508196330 /nfs/dbraw/zinc/19/63/30/508196330.db2.gz LCPVOHOOWZNKKW-INIZCTEOSA-N 0 3 369.469 2.555 50 0 FFAAHN O=C(NCCc1ccn(-c2ccc(F)cc2)n1)[C@@H](C1CC1)N1CCCC1 ZINC000095939799 508198481 /nfs/dbraw/zinc/19/84/81/508198481.db2.gz GPYYIIUMONPHSZ-LJQANCHMSA-N 0 3 356.445 2.545 50 0 FFAAHN O=C([O-])[C@]12CN(Cc3ccccc3)C[C@H]1C[N@H+](CCc1cccc(F)c1)C2 ZINC000096165233 508209606 /nfs/dbraw/zinc/20/96/06/508209606.db2.gz IBSQYJUHQTYHLH-DENIHFKCSA-N 0 3 368.452 2.887 50 0 FFAAHN O=C([O-])[C@]12CN(Cc3ccccc3)C[C@H]1C[N@@H+](CCc1cccc(F)c1)C2 ZINC000096165233 508209608 /nfs/dbraw/zinc/20/96/08/508209608.db2.gz IBSQYJUHQTYHLH-DENIHFKCSA-N 0 3 368.452 2.887 50 0 FFAAHN O=C(CCc1cn2ccccc2n1)NCCN1CC[C@@H](c2ccccc2)C1 ZINC000097098988 508218696 /nfs/dbraw/zinc/21/86/96/508218696.db2.gz PTKREEKTPAQKRV-LJQANCHMSA-N 0 3 362.477 2.873 50 0 FFAAHN COc1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CCCC2)c(C)c1F ZINC000097104196 508218746 /nfs/dbraw/zinc/21/87/46/508218746.db2.gz UABUKVXQKOCBPQ-AWEZNQCLSA-N 0 3 358.479 2.541 50 0 FFAAHN O=C1CC[C@@]2(CCCN(Cc3ccc4ncccc4c3)C2)CN1CCCO ZINC000082109236 508226265 /nfs/dbraw/zinc/22/62/65/508226265.db2.gz WAULGNYXBAWXQP-JOCHJYFZSA-N 0 3 367.493 2.822 50 0 FFAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccn3nnnc3c2)cc1 ZINC000077380119 508308514 /nfs/dbraw/zinc/30/85/14/508308514.db2.gz IJVGBOGOEWYESI-GOSISDBHSA-N 0 3 364.453 2.553 50 0 FFAAHN CCn1c(CN(C)C)nnc1C1CCN(Cc2ccc(OC)cc2)CC1 ZINC000077428787 508315090 /nfs/dbraw/zinc/31/50/90/508315090.db2.gz OPGNVAGDICWLDB-UHFFFAOYSA-N 0 3 357.502 2.748 50 0 FFAAHN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)CSCc2ccccc2)C1 ZINC000136909005 508723689 /nfs/dbraw/zinc/72/36/89/508723689.db2.gz NAQAQSQPMQDCCJ-IPMKNSEASA-N 0 3 370.518 2.562 50 0 biogenic FFAAHN Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(Cn3cccn3)cc2)CC1 ZINC000215139157 509243686 /nfs/dbraw/zinc/24/36/86/509243686.db2.gz BNBULNYMSMXYST-HXUWFJFHSA-N 0 3 365.481 2.611 50 0 FFAAHN COc1ccc(F)cc1C(=O)N1CCCO[C@H](CN2CCCCC2)C1 ZINC000220453644 509299837 /nfs/dbraw/zinc/29/98/37/509299837.db2.gz AMHOZZCSGYMVEW-MRXNPFEDSA-N 0 3 350.434 2.551 50 0 FFAAHN Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H](C)N2CCCCCC2)n1 ZINC000220726681 509304400 /nfs/dbraw/zinc/30/44/00/509304400.db2.gz UYCZZDCIYBNZNB-CYBMUJFWSA-N 0 3 358.408 2.727 50 0 FFAAHN C[C@H](CNC(=O)C1(c2ccccc2)CCN(C)CC1)Oc1cccnc1 ZINC000222485966 509317121 /nfs/dbraw/zinc/31/71/21/509317121.db2.gz DWFZGGUUXWRBFK-QGZVFWFLSA-N 0 3 353.466 2.629 50 0 FFAAHN C[C@H]1CCCN(CCNC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000225395011 509371321 /nfs/dbraw/zinc/37/13/21/509371321.db2.gz IIXAAJQIYOTFKQ-NSHDSACASA-N 0 3 365.275 2.787 50 0 FFAAHN C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000229428719 509425146 /nfs/dbraw/zinc/42/51/46/509425146.db2.gz LCHXPRGVEGQBNL-XYJFISCASA-N 0 3 369.465 2.567 50 0 FFAAHN CC(C)Oc1ccccc1CNC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000240886168 509841554 /nfs/dbraw/zinc/84/15/54/509841554.db2.gz INMLJQADOSQOIC-IAGOWNOFSA-N 0 3 364.486 2.791 50 0 FFAAHN COC(=O)C1=C(CN2CCC[C@@H](C)C2)NC(=O)N[C@H]1c1ccccc1C ZINC000245229792 509884995 /nfs/dbraw/zinc/88/49/95/509884995.db2.gz FSUIGPQIJFZONB-ACJLOTCBSA-N 0 3 357.454 2.508 50 0 FFAAHN Cc1ccc(CNC(=O)[C@@H](C)N2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000246102934 510295656 /nfs/dbraw/zinc/29/56/56/510295656.db2.gz IAXLKALBVPYNIM-MJGOQNOKSA-N 0 3 352.482 2.829 50 0 FFAAHN Cn1cc([C@H]2CCCN2C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000194451309 510371409 /nfs/dbraw/zinc/37/14/09/510371409.db2.gz LQVVYSWQCVMESU-AZUAARDMSA-N 0 3 367.497 2.789 50 0 FFAAHN Cn1cc(-c2cc(CN3CCC[C@@H](C(=O)Nc4ccccc4)C3)on2)cn1 ZINC000184975415 510611476 /nfs/dbraw/zinc/61/14/76/510611476.db2.gz FEDXLXYQNUIQJE-OAHLLOKOSA-N 0 3 365.437 2.926 50 0 FFAAHN COC(=O)c1ccc(C)c(NC(=O)NC2CCN(CCSC)CC2)c1 ZINC000299757280 511669634 /nfs/dbraw/zinc/66/96/34/511669634.db2.gz JZSKKGDPDOFRKS-UHFFFAOYSA-N 0 3 365.499 2.731 50 0 FFAAHN CC(C)c1cc(C(=O)NC2CCN(CCc3ccccc3)CC2)nc(N)n1 ZINC000299757841 511670335 /nfs/dbraw/zinc/67/03/35/511670335.db2.gz CHHKGZQJQLMXQZ-UHFFFAOYSA-N 0 3 367.497 2.619 50 0 FFAAHN CC(C)[C@@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1ncnn1C ZINC000299778807 511677117 /nfs/dbraw/zinc/67/71/17/511677117.db2.gz OJXYBTMGCURVHE-HXUWFJFHSA-N 0 3 369.513 2.931 50 0 FFAAHN COc1cccc(-c2cccc(C(=O)NC[C@H](O)CN3CCCC3)c2)c1 ZINC000299786065 511681025 /nfs/dbraw/zinc/68/10/25/511681025.db2.gz LVYQAWSQRNHZQU-IBGZPJMESA-N 0 3 354.450 2.549 50 0 FFAAHN O=C(Nc1ccc[nH]c1=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000299794662 511683637 /nfs/dbraw/zinc/68/36/37/511683637.db2.gz LIDAYJRRSNAFLM-UHFFFAOYSA-N 0 3 352.438 2.842 50 0 FFAAHN CN1CCN(CCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000299794852 511684030 /nfs/dbraw/zinc/68/40/30/511684030.db2.gz LCDGWLADGLTCHO-NRFANRHFSA-N 0 3 351.494 2.724 50 0 FFAAHN CO[C@]12CCN(Cc3ccc(CO)o3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000299795851 511684350 /nfs/dbraw/zinc/68/43/50/511684350.db2.gz NMVJOVKCVOEIGF-MOXGXCLJSA-N 0 3 358.438 2.758 50 0 FFAAHN Cc1cccc(SC2CCN(C(=O)CCN3CCN(C)CC3)CC2)c1 ZINC000299799333 511685114 /nfs/dbraw/zinc/68/51/14/511685114.db2.gz QUMMKBYZIFCFTG-UHFFFAOYSA-N 0 3 361.555 2.716 50 0 FFAAHN Cc1cc(N[C@@H](C)C2(S(C)(=O)=O)CC2)c2cc(OC(F)F)ccc2n1 ZINC000328592906 511889402 /nfs/dbraw/zinc/88/94/02/511889402.db2.gz OTMKAKSPAUHNCY-NSHDSACASA-N 0 3 370.421 2.944 50 0 FFAAHN CN1CC[C@@H](NC(=O)c2ccc(-c3ccc(N4CCOCC4)cc3)cc2)C1 ZINC000426489349 513956295 /nfs/dbraw/zinc/95/62/95/513956295.db2.gz JYNPNFNVYQUYLA-HXUWFJFHSA-N 0 3 365.477 2.624 50 0 FFAAHN CO[C@]12CCN(CC(=O)NCc3ccccc3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426494709 513959543 /nfs/dbraw/zinc/95/95/43/513959543.db2.gz XTFLLERMMXHKLL-RZUBCFFCSA-N 0 3 372.509 2.741 50 0 FFAAHN CC(=O)c1sccc1-c1ccc(C(=O)NC[C@@H]2COCCN(C)C2)cc1 ZINC000426530613 513971380 /nfs/dbraw/zinc/97/13/80/513971380.db2.gz VWVBLXYJYGPXQJ-HNNXBMFYSA-N 0 3 372.490 2.926 50 0 FFAAHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2cncc(N)c2)c1 ZINC000426544414 513976030 /nfs/dbraw/zinc/97/60/30/513976030.db2.gz PKVSIUNWHPWDGH-HXUWFJFHSA-N 0 3 368.481 2.514 50 0 FFAAHN COCCN1CC[C@@H](CNC(=O)N(Cc2ccncc2)C2CCCCC2)C1 ZINC000426544387 513976153 /nfs/dbraw/zinc/97/61/53/513976153.db2.gz NFPLTQWHYOXMAP-IBGZPJMESA-N 0 3 374.529 2.894 50 0 FFAAHN CCN(CCN(C)C)C(=O)N[C@@H](C)c1cnn(-c2ccc(OC)cc2)c1 ZINC000426574730 513983793 /nfs/dbraw/zinc/98/37/93/513983793.db2.gz MJMQIROKNNHGMF-HNNXBMFYSA-N 0 3 359.474 2.535 50 0 FFAAHN O=C(N[C@H]1CC[C@H](O)CC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000426597270 513991953 /nfs/dbraw/zinc/99/19/53/513991953.db2.gz RQLPEGBOBNXQOR-MXVIHJGJSA-N 0 3 359.514 2.640 50 0 FFAAHN COCc1c(C)onc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000426652183 514006801 /nfs/dbraw/zinc/00/68/01/514006801.db2.gz ZYAHKLCAQUAFPA-UHFFFAOYSA-N 0 3 369.465 2.792 50 0 FFAAHN O=C(NCCN1CCC[C@H](CO)C1)N(Cc1ccccc1Cl)C1CC1 ZINC000426707156 514019876 /nfs/dbraw/zinc/01/98/76/514019876.db2.gz HDYCBOYTRMEWBK-HNNXBMFYSA-N 0 3 365.905 2.718 50 0 FFAAHN Cc1n[nH]c(C)c1CCN(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000426737367 514027488 /nfs/dbraw/zinc/02/74/88/514027488.db2.gz IKWXLMQKBSUQPT-UHFFFAOYSA-N 0 3 369.513 2.875 50 0 FFAAHN Cc1cn2c(n1)[C@H](CNC(=O)NC[C@H]1CCN1C1CCCCC1)CCC2 ZINC000527827446 517939118 /nfs/dbraw/zinc/93/91/18/517939118.db2.gz ZRTGQWCDNXMLMQ-FUHWJXTLSA-N 0 3 359.518 2.775 50 0 FFAAHN CN(C)C[C@]1(CO)CCCN(C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000534589492 517954612 /nfs/dbraw/zinc/95/46/12/517954612.db2.gz HFJULAXQDMSHLX-QGZVFWFLSA-N 0 3 374.312 2.839 50 0 FFAAHN Cc1cc(C)c(OCCNC(=O)N2CCN(c3ccncc3)CC2)c(C)c1 ZINC000534648714 517982463 /nfs/dbraw/zinc/98/24/63/517982463.db2.gz MYPUHLRTILUOSJ-UHFFFAOYSA-N 0 3 368.481 2.917 50 0 FFAAHN COc1cccc(CN2CC[C@H](n3c(C)cnc3C3CCOCC3)C2)n1 ZINC000575550262 518231665 /nfs/dbraw/zinc/23/16/65/518231665.db2.gz SFQJEKBOOCAEHJ-SFHVURJKSA-N 0 3 356.470 2.936 50 0 FFAAHN O=C(NC1CCN(CCO)CC1)N1CCCC[C@H]1CCc1ccccc1 ZINC000584901284 518530152 /nfs/dbraw/zinc/53/01/52/518530152.db2.gz LXDBOJRXNIFGLM-FQEVSTJZSA-N 0 3 359.514 2.640 50 0 FFAAHN COCCc1ncc(CN2C[C@H]3CC[C@H](CN3Cc3ccccc3)C2)cn1 ZINC000091416998 522035864 /nfs/dbraw/zinc/03/58/64/522035864.db2.gz XLLQRVUJQOYBHB-PZJWPPBQSA-N 0 3 366.509 2.762 50 0 FFAAHN COc1cc(CN2CC[C@H](Cc3cccc(C(N)=O)c3)C2)cc2c1OCO2 ZINC000091270334 522394978 /nfs/dbraw/zinc/39/49/78/522394978.db2.gz BTOKKWQEPQKLIL-OAHLLOKOSA-N 0 3 368.433 2.587 50 0 FFAAHN CCc1cc(NC2CCN(C[C@H](O)CC)CC2)nc(-c2ccccn2)n1 ZINC000089282916 523821061 /nfs/dbraw/zinc/82/10/61/523821061.db2.gz MVDQHSIWOQSOFQ-QGZVFWFLSA-N 0 3 355.486 2.748 50 0 FFAAHN Cc1ccccc1CN1CCC(c2nnc(Cn3ccnc3)n2C)CC1 ZINC000091595670 525139581 /nfs/dbraw/zinc/13/95/81/525139581.db2.gz ZLCDWVATNABGRK-UHFFFAOYSA-N 0 3 350.470 2.748 50 0 FFAAHN c1ccc(CN2CCN(C3CCN(Cc4ccccn4)CC3)CC2)cc1 ZINC000019831724 526470741 /nfs/dbraw/zinc/47/07/41/526470741.db2.gz HTEDVUJLACDKGU-UHFFFAOYSA-N 0 3 350.510 2.864 50 0 FFAAHN O=C(CCc1ccc(-c2cccs2)o1)NCc1cc2n(n1)CCCNC2 ZINC000082106531 526583416 /nfs/dbraw/zinc/58/34/16/526583416.db2.gz BPSNNZCZCYMRRF-UHFFFAOYSA-N 0 3 370.478 2.947 50 0 FFAAHN O=C(CN1CCCCC1)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 ZINC000082121361 526736954 /nfs/dbraw/zinc/73/69/54/526736954.db2.gz HKVAPNPRPTUKLI-UHFFFAOYSA-N 0 3 373.545 2.524 50 0 FFAAHN CC(=O)c1ccc(-n2c(O)c3onc(-c4ccccc4Cl)c3c2O)cc1 ZINC000101360911 570818969 /nfs/dbraw/zinc/81/89/69/570818969.db2.gz GZKXYEPXSDABOI-RDJZCZTQSA-N 0 3 368.776 2.835 50 0 FFAAHN C[C@@H](CNC(=O)Nc1cccc(CN2CCOC2=O)c1)N1CCC[C@@H](C)C1 ZINC000048367456 570952433 /nfs/dbraw/zinc/95/24/33/570952433.db2.gz FRNFXJMWMSVIDH-CVEARBPZSA-N 0 3 374.485 2.881 50 0 FFAAHN Cc1nn(C)cc1CN1CCC(Cc2ccc(CCC(N)=O)cc2)CC1 ZINC000581813865 971109027 /nfs/dbraw/zinc/10/90/27/971109027.db2.gz RFFBZWVNQHYPNZ-UHFFFAOYSA-N 0 3 354.498 2.601 50 0 FFAAHN CCN1CCCn2nc([C@@H]3CCCN(Cc4c(C)noc4C)C3)cc2C1=O ZINC000675009125 971479881 /nfs/dbraw/zinc/47/98/81/971479881.db2.gz GORDMOADKLNWSO-MRXNPFEDSA-N 0 3 371.485 2.733 50 0 FFAAHN CCN1CCCn2nc([C@@H]3CCCN(Cc4cccnc4)C3)cc2C1=O ZINC000675006191 971480668 /nfs/dbraw/zinc/48/06/68/971480668.db2.gz ZKNIEZYCFZXGPQ-QGZVFWFLSA-N 0 3 353.470 2.524 50 0 FFAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)C4CCOCC4)C3)C2)c1 ZINC000012711797 1014934061 /nfs/dbraw/zinc/93/40/61/1014934061.db2.gz MXFGGUSVCMYSBN-QFIPXVFZSA-N 0 3 372.509 2.936 50 0 FFAAHN Cc1ccc(C)c(-n2cc(CN(CCO)CCO)c(-c3ccccc3)n2)c1 ZINC000011947579 987790173 /nfs/dbraw/zinc/79/01/73/987790173.db2.gz NTVICKHEGWDFCM-UHFFFAOYSA-N 0 3 365.477 2.943 50 0 FFAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)C4CC4)C3)C2)c1OC ZINC000012228531 988317003 /nfs/dbraw/zinc/31/70/03/988317003.db2.gz AKBGKWXIXUQOSE-OAQYLSRUSA-N 0 3 358.482 2.928 50 0 FFAAHN O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc(CN2CCCC2)o1 ZINC000828166460 999557929 /nfs/dbraw/zinc/55/79/29/999557929.db2.gz KWPKSZQTBFKCMK-UHFFFAOYSA-N 0 3 368.481 2.665 50 0 FFAAHN O=C(c1cccnc1)N1CC(N(Cc2ccccc2)C2CCOCC2)C1 ZINC000581794637 999946813 /nfs/dbraw/zinc/94/68/13/999946813.db2.gz JWBUEIMDBNZXNM-UHFFFAOYSA-N 0 3 351.450 2.587 50 0 FFAAHN COc1ccc([C@@H](CN(C)C)NCc2ccc(-n3ccnc3)nc2)cc1 ZINC000585081308 1008250136 /nfs/dbraw/zinc/25/01/36/1008250136.db2.gz XJNNKNXSYBPNRY-LJQANCHMSA-N 0 3 351.454 2.668 50 0 FFAAHN Cc1ncc(CO)c(C[N@H+]2CCC[C@H](c3nc(CC(C)C)no3)C2)c1[O-] ZINC000952872371 1011005031 /nfs/dbraw/zinc/00/50/31/1011005031.db2.gz MSPSBOALSFKEBJ-AWEZNQCLSA-N 0 3 360.458 2.549 50 0 FFAAHN Cc1ncc(CO)c(C[N@@H+]2CCC[C@H](c3nc(CC(C)C)no3)C2)c1[O-] ZINC000952872371 1011005036 /nfs/dbraw/zinc/00/50/36/1011005036.db2.gz MSPSBOALSFKEBJ-AWEZNQCLSA-N 0 3 360.458 2.549 50 0 FFAAHN CN1CCC(N(Cc2ccco2)C(=O)c2cc3ccccc3c(=O)[nH]2)CC1 ZINC000124084817 1012431537 /nfs/dbraw/zinc/43/15/37/1012431537.db2.gz RLQSVTRFCIVTRG-UHFFFAOYSA-N 0 3 365.433 2.858 50 0 FFAAHN CN(Cc1cnc2ccccc2n1)C1CCN(C(=O)c2cccnc2)CC1 ZINC001506406011 1059498196 /nfs/dbraw/zinc/49/81/96/1059498196.db2.gz IVDGZMPXNIGBDB-UHFFFAOYSA-N 0 3 361.449 2.761 50 0 FFAAHN O=C(CCN1CCC(c2nnc3n2CCCCC3)CC1)Nc1nccs1 ZINC000252509035 209936078 /nfs/dbraw/zinc/93/60/78/209936078.db2.gz YBMJFOMGRLRTGG-UHFFFAOYSA-N 0 3 374.514 2.669 50 0 FFAAHN C[C@H](CNC(=O)[C@H](C)Oc1ccc(F)cc1Br)N1CCCC1 ZINC000048128658 209329170 /nfs/dbraw/zinc/32/91/70/209329170.db2.gz ZUZQIBBWWZYEMH-NEPJUHHUSA-N 0 3 373.266 2.956 50 0 FFAAHN CN1CCN(Cc2csc(-c3ccccc3)n2)C[C@@]12CCNC(=O)CC2 ZINC000107398748 209275282 /nfs/dbraw/zinc/27/52/82/209275282.db2.gz HYIILYATLWZEBM-HXUWFJFHSA-N 0 3 370.522 2.596 50 0 FFAAHN COc1ccc([C@@]2(C(=O)N3CCC(OCCN(C)C)CC3)CC2(C)C)cc1 ZINC000097527238 209184637 /nfs/dbraw/zinc/18/46/37/209184637.db2.gz BAWHJVDRPKDJQU-JOCHJYFZSA-N 0 3 374.525 2.932 50 0 FFAAHN Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NCCN1CCCCCC1 ZINC000097217980 209175217 /nfs/dbraw/zinc/17/52/17/209175217.db2.gz XXKCTTKKBSHFKG-UHFFFAOYSA-N 0 3 361.877 2.835 50 0 FFAAHN Cc1cc(C)n(-c2cccc(C(=O)N(CCN(C)C)C[C@H]3CCCO3)c2)n1 ZINC000096165279 209129936 /nfs/dbraw/zinc/12/99/36/209129936.db2.gz NDSQQTHHKRDOBM-HXUWFJFHSA-N 0 3 370.497 2.672 50 0 FFAAHN CC[C@@H](C)c1ccc([C@H](NCCS(=O)(=O)CCC(N)=O)C(C)C)cc1 ZINC000009478914 207272312 /nfs/dbraw/zinc/27/23/12/207272312.db2.gz AMFZUOBEUNSXHP-DNVCBOLYSA-N 0 3 368.543 2.777 50 0 FFAAHN COc1ccc([C@@H](CNC(=O)c2cnn(-c3ccccc3)c2)N(C)C)cc1 ZINC000009479431 207272460 /nfs/dbraw/zinc/27/24/60/207272460.db2.gz LEFNXZPBDOGXHT-HXUWFJFHSA-N 0 3 364.449 2.914 50 0 FFAAHN CC[C@@H](C)N(CCNC(=O)Cn1c(=O)oc2ccccc21)Cc1ccco1 ZINC000009688495 207280856 /nfs/dbraw/zinc/28/08/56/207280856.db2.gz GNODFGBZDLTQOW-OAHLLOKOSA-N 0 3 371.437 2.604 50 0 FFAAHN CCOc1ccc(C(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1 ZINC000036708050 207288411 /nfs/dbraw/zinc/28/84/11/207288411.db2.gz NTCQJEOERDSSFI-UHFFFAOYSA-N 0 3 369.469 2.626 50 0 FFAAHN CS(=O)(=O)N1CCC([C@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC000011838535 207323715 /nfs/dbraw/zinc/32/37/15/207323715.db2.gz DDNVROYGKGHUIK-INIZCTEOSA-N 0 3 356.919 2.834 50 0 FFAAHN CCc1nccn1CCC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000011662190 207316826 /nfs/dbraw/zinc/31/68/26/207316826.db2.gz QTXDZLDBNYYXNW-LJQANCHMSA-N 0 3 354.498 2.659 50 0 FFAAHN Cc1cccc(CNC[C@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)c1 ZINC000012299633 207357059 /nfs/dbraw/zinc/35/70/59/207357059.db2.gz DSEJFAHYCAPUHN-OAQYLSRUSA-N 0 3 374.431 2.917 50 0 FFAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)c1cnccn1 ZINC000012583343 207398373 /nfs/dbraw/zinc/39/83/73/207398373.db2.gz GDPAVISEAQOYER-UHFFFAOYSA-N 0 3 356.445 2.642 50 0 FFAAHN CC1CCN([C@@H](CNC(=O)c2ccn(C)c(=O)c2)c2cccs2)CC1 ZINC000032764470 208042272 /nfs/dbraw/zinc/04/22/72/208042272.db2.gz IIPNDEQATKQDLG-INIZCTEOSA-N 0 3 359.495 2.650 50 0 FFAAHN COc1ccc(NC(=O)NC[C@H](CN(C)C)[C@@H](O)c2ccccc2)cc1 ZINC000032912634 208056099 /nfs/dbraw/zinc/05/60/99/208056099.db2.gz GLYAEXXHNZLCCY-APWZRJJASA-N 0 3 357.454 2.728 50 0 FFAAHN C[C@H]1CCCCN1CCNC(=O)c1nn(C)c2c1CCc1sccc1-2 ZINC000035504932 208128781 /nfs/dbraw/zinc/12/87/81/208128781.db2.gz WJEPZOXIJSGIGA-ZDUSSCGKSA-N 0 3 358.511 2.851 50 0 FFAAHN COCCN(Cc1ccc(C)cc1)C[C@H](O)COc1ccc(OC)cc1 ZINC000036094964 208144033 /nfs/dbraw/zinc/14/40/33/208144033.db2.gz SQSXNMYEXUGWEN-IBGZPJMESA-N 0 3 359.466 2.892 50 0 FFAAHN CCN1CCC(N(C)C(=O)CCc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000043065509 208301615 /nfs/dbraw/zinc/30/16/15/208301615.db2.gz GSWKJPKEBXHCNY-UHFFFAOYSA-N 0 3 372.469 2.621 50 0 FFAAHN Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000072278354 208828610 /nfs/dbraw/zinc/82/86/10/208828610.db2.gz HEDDQHBHQKNXRA-JKSUJKDBSA-N 0 3 368.905 2.985 50 0 FFAAHN COC(=O)c1cccc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c1 ZINC000077520670 208914562 /nfs/dbraw/zinc/91/45/62/208914562.db2.gz BMWBHHQKAKZESR-NRFANRHFSA-N 0 3 356.466 2.840 50 0 FFAAHN O=C(CN1CCCCCC1=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000092028108 209013711 /nfs/dbraw/zinc/01/37/11/209013711.db2.gz RGMPJQCHCFBMPE-VQTJNVASSA-N 0 3 369.509 2.512 50 0 FFAAHN COCCN1C[C@H]2CC[C@@H]1CN(Cc1c[nH]nc1-c1ccc(F)cc1)C2 ZINC000095354737 209025069 /nfs/dbraw/zinc/02/50/69/209025069.db2.gz OPNPSLGCOPEIMU-HNAYVOBHSA-N 0 3 358.461 2.758 50 0 FFAAHN O=C(NCc1ccccc1-n1cccn1)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000095355530 209025272 /nfs/dbraw/zinc/02/52/72/209025272.db2.gz RDUPXSQXIFAYKN-GOSISDBHSA-N 0 3 364.449 2.994 50 0 FFAAHN CCCc1ccc(CN2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)o1 ZINC000095386716 209043829 /nfs/dbraw/zinc/04/38/29/209043829.db2.gz QRSZCCZCCUKLOY-MRXNPFEDSA-N 0 3 368.485 2.985 50 0 FFAAHN CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(CN2CCCC2)cc1 ZINC000095387447 209044628 /nfs/dbraw/zinc/04/46/28/209044628.db2.gz YLLMXDYEAHVAEO-LJQANCHMSA-N 0 3 357.498 2.755 50 0 FFAAHN Cc1cccc2nc(CNC(=O)[C@@H]3CCCN(Cc4ccco4)C3)cn21 ZINC000095377142 209038203 /nfs/dbraw/zinc/03/82/03/209038203.db2.gz BGNKIXOFUSJHOF-MRXNPFEDSA-N 0 3 352.438 2.764 50 0 FFAAHN CN1Cc2ccccc2C[C@@H]1C(=O)NCCCc1nc2ccc(F)cc2[nH]1 ZINC000095379625 209040585 /nfs/dbraw/zinc/04/05/85/209040585.db2.gz VKGYDMCEIWBCRD-LJQANCHMSA-N 0 3 366.440 2.808 50 0 FFAAHN Cn1c(CN2CCc3ccccc3C2)cc(=O)c(O)c1CN1CCCCC1 ZINC000095474623 209057545 /nfs/dbraw/zinc/05/75/45/209057545.db2.gz ZFTODKLEUMSGMC-UHFFFAOYSA-N 0 3 367.493 2.635 50 0 FFAAHN CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)c1ccc(=O)[nH]c1 ZINC000095516924 209070117 /nfs/dbraw/zinc/07/01/17/209070117.db2.gz NFMKIYOXXLEDDY-UHFFFAOYSA-N 0 3 371.456 2.541 50 0 FFAAHN CN1CC[C@@H](N2CC3(CCC2=O)CCN(c2ccc(Cl)cn2)CC3)C1 ZINC000095363690 132208128 /nfs/dbraw/zinc/20/81/28/132208128.db2.gz UXVCDIGYTHGJRT-MRXNPFEDSA-N 0 3 362.905 2.648 50 0 FFAAHN O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCN(c2cccc(O)c2)CC1 ZINC000095379666 132209571 /nfs/dbraw/zinc/20/95/71/132209571.db2.gz SAHDFUHNRLLBKC-QGZVFWFLSA-N 0 3 369.465 2.546 50 0 FFAAHN Fc1ccc(-c2n[nH]cc2CNCc2ccnc(N3CCOCC3)c2)cc1 ZINC000042226127 136121194 /nfs/dbraw/zinc/12/11/94/136121194.db2.gz LEJUYGNUDRYWRH-UHFFFAOYSA-N 0 3 367.428 2.737 50 0 FFAAHN Cn1ncc2c1nc(-c1ccncc1)nc2N1CCN[C@H](c2ccccc2)C1 ZINC000072476900 136149421 /nfs/dbraw/zinc/14/94/21/136149421.db2.gz IUABAPJJQSMFBC-SFHVURJKSA-N 0 3 371.448 2.576 50 0 FFAAHN Cc1cc(C)n(-c2ccc(N3CCC(NCc4cnn(C)c4)CC3)cc2)n1 ZINC000023543919 136153106 /nfs/dbraw/zinc/15/31/06/136153106.db2.gz KVRYTLKRIUTBEU-UHFFFAOYSA-N 0 3 364.497 2.981 50 0 FFAAHN Cc1ccccc1[C@@H]1CCCN1C(=O)CN1CC2(CC1=O)CCN(C)CC2 ZINC000095526604 209076056 /nfs/dbraw/zinc/07/60/56/209076056.db2.gz ZVCMJKWPLDGZGZ-IBGZPJMESA-N 0 3 369.509 2.603 50 0 FFAAHN C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc([O-])cc2)C1 ZINC000095528159 209077790 /nfs/dbraw/zinc/07/77/90/209077790.db2.gz NCCNAWUOTOBJPN-QGZVFWFLSA-N 0 3 356.470 2.560 50 0 FFAAHN COc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCN(c2ccncc2)CC1 ZINC000426544925 263628433 /nfs/dbraw/zinc/62/84/33/263628433.db2.gz DOURIIMNNUJOKZ-HXUWFJFHSA-N 0 3 366.465 2.999 50 0 FFAAHN Cc1cccc(N(C[C@H](O)CN2CCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000000895843 506238779 /nfs/dbraw/zinc/23/87/79/506238779.db2.gz PEGQBEVAWHAZFU-LJQANCHMSA-N 0 3 374.506 2.647 50 0 FFAAHN Cc1nc(NCCNC(=O)Nc2ccc(F)cc2)cc(N2CCCC2)n1 ZINC000065363034 506289125 /nfs/dbraw/zinc/28/91/25/506289125.db2.gz WMHQLMJBDBAYQC-UHFFFAOYSA-N 0 3 358.421 2.758 50 0 FFAAHN CN1CCC2(C1)CCN(S(=O)(=O)c1ccc(-c3cnco3)s1)CC2 ZINC000065395127 506292950 /nfs/dbraw/zinc/29/29/50/506292950.db2.gz JUACIFXWSKECGX-UHFFFAOYSA-N 0 3 367.496 2.510 50 0 FFAAHN CCn1c(CC2CCN(Cc3ccc4onc(C)c4c3)CC2)nn(C)c1=O ZINC000065497661 506310306 /nfs/dbraw/zinc/31/03/06/506310306.db2.gz DTCADSUISQZCSO-UHFFFAOYSA-N 0 3 369.469 2.506 50 0 FFAAHN COc1ccccc1CNC[C@@H](O)COc1cccc2c1OC(C)(C)C2 ZINC000003253416 506316820 /nfs/dbraw/zinc/31/68/20/506316820.db2.gz RNVMMGNJLLCPTG-QGZVFWFLSA-N 0 3 357.450 2.938 50 0 FFAAHN COc1cccc(-c2ncc(CN3CCC4(CNC(=O)C4)CC3)s2)c1 ZINC000065530832 506319049 /nfs/dbraw/zinc/31/90/49/506319049.db2.gz JHYLBSAGYLMXGP-UHFFFAOYSA-N 0 3 357.479 2.921 50 0 FFAAHN O=C(c1cccnc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1 ZINC000004140868 506362072 /nfs/dbraw/zinc/36/20/72/506362072.db2.gz AXNOQKOYNVZCOS-UHFFFAOYSA-N 0 3 350.466 2.508 50 0 FFAAHN CC(=O)OCc1c(C)cc(C)c(CNCCNC(=O)c2ccncc2)c1C ZINC000055099291 506676865 /nfs/dbraw/zinc/67/68/65/506676865.db2.gz XEGSYCHJWVBYIP-UHFFFAOYSA-N 0 3 369.465 2.590 50 0 FFAAHN COc1ccccc1CN(C(=O)CC[C@@H](C)N1CCN(C)CC1)C1CC1 ZINC000055166070 506691106 /nfs/dbraw/zinc/69/11/06/506691106.db2.gz YDEMLMBRMZXXKQ-QGZVFWFLSA-N 0 3 359.514 2.602 50 0 FFAAHN Cc1c(CN[C@@H](CN(C)C)c2ccccc2)c2ccccc2n1CC(N)=O ZINC000055307643 506723318 /nfs/dbraw/zinc/72/33/18/506723318.db2.gz ICUKYZBZAOOHKE-FQEVSTJZSA-N 0 3 364.493 2.828 50 0 FFAAHN CCOC(=O)C1CCN(C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)CC1 ZINC000010434677 506742633 /nfs/dbraw/zinc/74/26/33/506742633.db2.gz IAYGHVQQSYPFRF-WRUMOOJNSA-N 0 3 365.514 2.608 50 0 FFAAHN CCCc1ncc(CN2CC[C@@H](C3CCN(c4ncccn4)CC3)C2)cn1 ZINC000011754236 506792580 /nfs/dbraw/zinc/79/25/80/506792580.db2.gz QALGBNZIRLHVJR-LJQANCHMSA-N 0 3 366.513 2.958 50 0 FFAAHN CCc1c(C(=O)NC[C@H]2CCCN(C)C2)nnn1-c1cccc(Cl)c1 ZINC000067306112 506822148 /nfs/dbraw/zinc/82/21/48/506822148.db2.gz IOCSIQPZMVALIA-CYBMUJFWSA-N 0 3 361.877 2.555 50 0 FFAAHN CCc1ccc(CN2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)nc1 ZINC000067514280 506906426 /nfs/dbraw/zinc/90/64/26/506906426.db2.gz BXEXIOMJACIAKQ-UHFFFAOYSA-N 0 3 363.465 2.898 50 0 FFAAHN Cc1nc2cc(OCc3nc(C(=O)N(C)CCN(C)C)co3)ccc2s1 ZINC000067605239 506946386 /nfs/dbraw/zinc/94/63/86/506946386.db2.gz RUFONNIJYIXUOX-UHFFFAOYSA-N 0 3 374.466 2.805 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000013691168 506950823 /nfs/dbraw/zinc/95/08/23/506950823.db2.gz XBVODWZAVJNKIW-OFLPRAFFSA-N 0 3 367.534 2.918 50 0 FFAAHN CCNc1cc(N2CCN(C(=O)c3ccc(OCC)cc3)CC2)nc(C)n1 ZINC000067622919 506954516 /nfs/dbraw/zinc/95/45/16/506954516.db2.gz UOHIQJNRNDRWQK-UHFFFAOYSA-N 0 3 369.469 2.578 50 0 FFAAHN CCNc1cc(N2CCN(C(=O)c3cc(C)ccc3C)CC2)nc(C)n1 ZINC000067629765 506956047 /nfs/dbraw/zinc/95/60/47/506956047.db2.gz AJZLLPXFURTAGT-UHFFFAOYSA-N 0 3 353.470 2.796 50 0 FFAAHN COc1ccc([C@@H](CNC(=O)c2cccc(NC(C)=O)c2)N(C)C)cc1 ZINC000014202165 506977934 /nfs/dbraw/zinc/97/79/34/506977934.db2.gz KTVSGNCDIXRRAL-LJQANCHMSA-N 0 3 355.438 2.686 50 0 FFAAHN CN(C)Cc1ccccc1Cn1cc(-c2ccc3c(c2)OCCO3)nn1 ZINC000067789937 507009919 /nfs/dbraw/zinc/00/99/19/507009919.db2.gz TXWVUAOCOMXCFT-UHFFFAOYSA-N 0 3 350.422 2.826 50 0 FFAAHN CN(CCCNC(=O)N[C@H]1COc2ccccc2C1)Cc1ccccc1 ZINC000015787249 507059266 /nfs/dbraw/zinc/05/92/66/507059266.db2.gz PPKKGVGMRLRHOU-LJQANCHMSA-N 0 3 353.466 2.811 50 0 FFAAHN CCc1ccc(CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000017317414 507120927 /nfs/dbraw/zinc/12/09/27/507120927.db2.gz BRCLAUWHEGHJSZ-UHFFFAOYSA-N 0 3 374.506 2.560 50 0 FFAAHN Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c(C)c1 ZINC000019222866 507160248 /nfs/dbraw/zinc/16/02/48/507160248.db2.gz ZRVQFZDLSRGTJB-KRWDZBQOSA-N 0 3 369.513 2.786 50 0 FFAAHN CCOc1ccc(N2C(=O)C[C@@H](NCCc3cccc(OC)c3)C2=O)cc1 ZINC000019533498 507176546 /nfs/dbraw/zinc/17/65/46/507176546.db2.gz ZGDKRMHVGBBXBE-LJQANCHMSA-N 0 3 368.433 2.558 50 0 FFAAHN Cc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2ccc(CN(C)C)cc2)cc1 ZINC000057201344 507203601 /nfs/dbraw/zinc/20/36/01/507203601.db2.gz BIOMBMRNLWBVOD-UHFFFAOYSA-N 0 3 350.422 2.788 50 0 FFAAHN CCn1c(C)c(C)c2cc(C(=O)NCCN3CCN(CC)CC3)ccc21 ZINC000020583786 507228049 /nfs/dbraw/zinc/22/80/49/507228049.db2.gz XRALQYONWFAMFW-UHFFFAOYSA-N 0 3 356.514 2.645 50 0 FFAAHN COc1cccc2ccc(CN3CCN(CC(C)C)[C@@H](CCO)C3)nc21 ZINC000022914408 507318934 /nfs/dbraw/zinc/31/89/34/507318934.db2.gz SWCVHGGKKZTHJE-IBGZPJMESA-N 0 3 357.498 2.768 50 0 FFAAHN CN(C)CCn1nnnc1SCc1ccc(OCc2ccccn2)cc1 ZINC000058226827 507390367 /nfs/dbraw/zinc/39/03/67/507390367.db2.gz IDCDPINQPDTQOC-UHFFFAOYSA-N 0 3 370.482 2.501 50 0 FFAAHN COc1ccc(CNC[C@@H](c2cccc(F)c2)N2CCOCC2)cc1O ZINC000058247480 507393456 /nfs/dbraw/zinc/39/34/56/507393456.db2.gz XSYZJDJBYSQFLB-SFHVURJKSA-N 0 3 360.429 2.703 50 0 FFAAHN COc1ccc([C@@H](CNC(=O)Nc2nnc(C3CC3)s2)N(C)C)cc1 ZINC000058857593 507471351 /nfs/dbraw/zinc/47/13/51/507471351.db2.gz YVFWTROYCIXDRH-CQSZACIVSA-N 0 3 361.471 2.849 50 0 FFAAHN COC(=O)c1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000048340249 507502860 /nfs/dbraw/zinc/50/28/60/507502860.db2.gz LURXUNWUWZEGFI-GOSISDBHSA-N 0 3 353.422 2.869 50 0 FFAAHN O=c1cc(-c2cccnc2)nc(-c2cccc(CN3CCCOCC3)c2)[nH]1 ZINC000048482701 507528211 /nfs/dbraw/zinc/52/82/11/507528211.db2.gz KOTOYUJQORLSRQ-UHFFFAOYSA-N 0 3 362.433 2.721 50 0 FFAAHN COc1ccc(CN[C@@H](C)CN2CCCC2=O)cc1OCc1cccnc1 ZINC000048780087 507563520 /nfs/dbraw/zinc/56/35/20/507563520.db2.gz ZAJQQZBYFPCKRG-INIZCTEOSA-N 0 3 369.465 2.770 50 0 FFAAHN CC(C)[C@@H]1CN(CCc2cn[nH]c2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071738584 507708080 /nfs/dbraw/zinc/70/80/80/507708080.db2.gz BTHFAYSJZFBZLC-IBGZPJMESA-N 0 3 358.461 2.850 50 0 FFAAHN COc1cc(N2C[C@@H](c3ccccc3OC)[C@@H]3[C@H]2C2CCN3CC2)ncn1 ZINC000072138811 507755219 /nfs/dbraw/zinc/75/52/19/507755219.db2.gz BAHNWFIVZOAJGL-ZLGUVYLKSA-N 0 3 366.465 2.560 50 0 FFAAHN CN(C)Cc1ccc(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)o1 ZINC000072141841 507756125 /nfs/dbraw/zinc/75/61/25/507756125.db2.gz YUACZFFBSPDMLM-LJQANCHMSA-N 0 3 367.493 2.657 50 0 FFAAHN O[C@@H](CN1CCC(CCN2CCOCC2)CC1)c1ccccc1Cl ZINC000072230588 507771170 /nfs/dbraw/zinc/77/11/70/507771170.db2.gz VKBGWVRKRYFGTP-IBGZPJMESA-N 0 3 352.906 2.808 50 0 FFAAHN c1cn(Cc2ccccc2)c(Cn2ccnc2-c2cc3n(n2)CCCNC3)n1 ZINC000072407619 507784806 /nfs/dbraw/zinc/78/48/06/507784806.db2.gz WKXTZQIQDILECV-UHFFFAOYSA-N 0 3 373.464 2.533 50 0 FFAAHN O=C(CCc1cc2n(n1)CCCNC2)N1CC[C@@H](c2ccccc2Cl)C1 ZINC000072418767 507786210 /nfs/dbraw/zinc/78/62/10/507786210.db2.gz AYQIGNDSHNBWBB-OAHLLOKOSA-N 0 3 372.900 2.979 50 0 FFAAHN Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000072419928 507787060 /nfs/dbraw/zinc/78/70/60/507787060.db2.gz NFWXWPNIPMOEPC-KRWDZBQOSA-N 0 3 357.477 2.930 50 0 FFAAHN CCN1C[C@]2(CCCN(Cc3cc(=O)c4ccccc4[nH]3)C2)CCC1=O ZINC000072425918 507788203 /nfs/dbraw/zinc/78/82/03/507788203.db2.gz 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507981077 /nfs/dbraw/zinc/98/10/77/507981077.db2.gz XJBFTOWDTIOLOV-LJQANCHMSA-N 0 3 369.509 2.544 50 0 FFAAHN COCCn1ccnc1C1CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000091440821 507985762 /nfs/dbraw/zinc/98/57/62/507985762.db2.gz UHOOZXFFJWSXEI-KRWDZBQOSA-N 0 3 357.454 2.549 50 0 FFAAHN CCOc1ccccc1CN1CCC2(CC1)c1[nH]cnc1CCN2C(C)=O ZINC000091626385 507997582 /nfs/dbraw/zinc/99/75/82/507997582.db2.gz AQDHBDQLBDFFNC-UHFFFAOYSA-N 0 3 368.481 2.704 50 0 FFAAHN COCC[C@]1(O)CCN(Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)C[C@H]1C ZINC000091651161 507999619 /nfs/dbraw/zinc/99/96/19/507999619.db2.gz BQBVMVAYIDAISE-IIBYNOLFSA-N 0 3 358.482 2.754 50 0 FFAAHN CCOCCN1C[C@H](NC(=O)CCC(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000091663413 508000482 /nfs/dbraw/zinc/00/04/82/508000482.db2.gz NYIXYOHBBIDKEL-CVEARBPZSA-N 0 3 358.404 2.950 50 0 FFAAHN Cc1ccc(CN2CCC(c3nnc(Cn4cncn4)n3C3CC3)CC2)o1 ZINC000092098058 508043146 /nfs/dbraw/zinc/04/31/46/508043146.db2.gz BWJDMASUSVSRNU-UHFFFAOYSA-N 0 3 367.457 2.534 50 0 FFAAHN O=c1cc(CN2CC[NH+](C3CCCCC3)CC2)nc(-c2ccccc2)[n-]1 ZINC000075551933 508116307 /nfs/dbraw/zinc/11/63/07/508116307.db2.gz IGYBCNLGWRXZNJ-UHFFFAOYSA-N 0 3 352.482 2.887 50 0 FFAAHN Cn1ccnc1[C@@H]1CCCN(C(=O)C2(c3ccccc3)CCN(C)CC2)C1 ZINC000082116969 508226072 /nfs/dbraw/zinc/22/60/72/508226072.db2.gz FHKBGGAMAJMWJX-GOSISDBHSA-N 0 3 366.509 2.790 50 0 FFAAHN O=c1cc(C[NH+]2CCCCC2)nc2[n-]c(NCc3ccccc3Cl)nn21 ZINC000101796156 508257437 /nfs/dbraw/zinc/25/74/37/508257437.db2.gz AYJZYUUIWQGRQZ-UHFFFAOYSA-N 0 3 372.860 2.669 50 0 FFAAHN CCCn1cc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)c(C)n1 ZINC000077302173 508297220 /nfs/dbraw/zinc/29/72/20/508297220.db2.gz QULUXODDFBOOBM-UHFFFAOYSA-N 0 3 366.509 2.917 50 0 FFAAHN c1ccc(-c2nc3c(c(NC[C@@H]4OCCc5ccccc54)n2)CCNC3)nc1 ZINC000077319649 508300090 /nfs/dbraw/zinc/30/00/90/508300090.db2.gz LJIFMUWZOGZZNC-FQEVSTJZSA-N 0 3 373.460 2.910 50 0 FFAAHN O=C(c1ccc(Cl)c(Cl)c1)N1CCN([C@@H]2CN3CCC2CC3)CC1 ZINC000077337350 508301556 /nfs/dbraw/zinc/30/15/56/508301556.db2.gz QPMIUKNEHHIIMO-QGZVFWFLSA-N 0 3 368.308 2.845 50 0 FFAAHN CC1=C(CCN2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)C(C)(C)CCC1 ZINC000077385679 508308703 /nfs/dbraw/zinc/30/87/03/508308703.db2.gz WLJFPKXMMIPNDS-IEBWSBKVSA-N 0 3 372.513 2.558 50 0 FFAAHN C[C@@]1(CO)CCCN(Cc2ccccc2OCC(=O)N2CCCCC2)C1 ZINC000215485142 509249098 /nfs/dbraw/zinc/24/90/98/509249098.db2.gz PELXDEVYWOZLNW-OAQYLSRUSA-N 0 3 360.498 2.672 50 0 FFAAHN Cc1ccccc1[C@H](CNC(=O)c1ccc(=O)n(C)c1)N1CCC(C)CC1 ZINC000215512227 509249284 /nfs/dbraw/zinc/24/92/84/509249284.db2.gz SBYDFRONYHNBIZ-FQEVSTJZSA-N 0 3 367.493 2.897 50 0 FFAAHN Cc1cc(C)c2[nH]c(=O)c(CN3CCC(c4nncn4C)CC3)cc2c1 ZINC000216356667 509259383 /nfs/dbraw/zinc/25/93/83/509259383.db2.gz SLMSMLUJPTVEMS-UHFFFAOYSA-N 0 3 351.454 2.653 50 0 FFAAHN OCCOCCN1CCN(Cc2cccc3c4ccccc4oc32)CC1 ZINC000219392724 509287225 /nfs/dbraw/zinc/28/72/25/509287225.db2.gz DOBMPTYXWJGRRR-UHFFFAOYSA-N 0 3 354.450 2.713 50 0 FFAAHN Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@H](C)N2CCCCCC2)n1 ZINC000220726747 509303259 /nfs/dbraw/zinc/30/32/59/509303259.db2.gz UYCZZDCIYBNZNB-ZDUSSCGKSA-N 0 3 358.408 2.727 50 0 FFAAHN COc1nc(C)cc(C)c1CNC(=O)C1(c2ccccc2)CCN(C)CC1 ZINC000222387735 509315795 /nfs/dbraw/zinc/31/57/95/509315795.db2.gz SJHLDDNSHKNNNN-UHFFFAOYSA-N 0 3 367.493 2.987 50 0 FFAAHN Cn1nnc2ccc(C(=O)NC[C@H]3CCCCN3Cc3ccccc3)cc21 ZINC000183340139 509726341 /nfs/dbraw/zinc/72/63/41/509726341.db2.gz IOJQKZHTRCPARK-GOSISDBHSA-N 0 3 363.465 2.753 50 0 FFAAHN COC1(CC(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)CCC1 ZINC000252507940 509846227 /nfs/dbraw/zinc/84/62/27/509846227.db2.gz WXUFKMJGQDWUMQ-SFHVURJKSA-N 0 3 373.497 2.751 50 0 FFAAHN C[C@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1nnc(N)s1 ZINC000244690836 509864074 /nfs/dbraw/zinc/86/40/74/509864074.db2.gz IXTRNFWLBMPYLQ-ZDUSSCGKSA-N 0 3 359.499 2.600 50 0 FFAAHN Cc1nc2cc(C(=O)N3CCCO[C@@H](CN4CCCC4)C3)ccc2s1 ZINC000244715853 509864835 /nfs/dbraw/zinc/86/48/35/509864835.db2.gz LDPQVDJEDOGTGZ-INIZCTEOSA-N 0 3 359.495 2.932 50 0 FFAAHN CCOc1ccccc1CN1CCC2(C[C@@H]3C(=O)N(CC)C(=O)N3C2)CC1 ZINC000257175147 509944165 /nfs/dbraw/zinc/94/41/65/509944165.db2.gz AIULVKWOGXVTLP-QGZVFWFLSA-N 0 3 371.481 2.724 50 0 FFAAHN Cc1noc([C@@]23CN(Cc4ccccc4)C[C@@H]2CCN(C(=O)C(C)C)C3)n1 ZINC000257178925 509946825 /nfs/dbraw/zinc/94/68/25/509946825.db2.gz CEJYRFBYYROBNH-GHTZIAJQSA-N 0 3 368.481 2.636 50 0 FFAAHN O=C(C[C@@H]1CCc2nnc(C3CCCC3)n2CC1)NCCN1CCCCC1 ZINC000257190249 509952281 /nfs/dbraw/zinc/95/22/81/509952281.db2.gz LQKIZMZSBQDGJJ-QGZVFWFLSA-N 0 3 373.545 2.880 50 0 FFAAHN CCc1oc2c(cccc2NC(=O)NCCN2CCC[C@@H](C(N)=O)C2)c1C ZINC000299767068 511673264 /nfs/dbraw/zinc/67/32/64/511673264.db2.gz DMLMSJVTXCECCQ-CQSZACIVSA-N 0 3 372.469 2.622 50 0 FFAAHN O=C(Nc1ccc2cccnc2c1)N1CCCO[C@H](CN2CCCC2)C1 ZINC000299771965 511674680 /nfs/dbraw/zinc/67/46/80/511674680.db2.gz XKXCQJPYNUQTAL-GOSISDBHSA-N 0 3 354.454 2.953 50 0 FFAAHN O=C(NCCN1CCC[C@@H](CO)C1)Nc1cc(C(F)(F)F)ccc1F ZINC000299776812 511678119 /nfs/dbraw/zinc/67/81/19/511678119.db2.gz MAJWBOSSGNMOQT-LLVKDONJSA-N 0 3 363.355 2.670 50 0 FFAAHN CCc1cccc(C)c1NC(=O)CCN1CCC[C@]2(CN(C)C(=O)O2)C1 ZINC000299783357 511679056 /nfs/dbraw/zinc/67/90/56/511679056.db2.gz ZSLIDBGFHUTFNY-FQEVSTJZSA-N 0 3 359.470 2.803 50 0 FFAAHN Cc1ccc(CN(CCN(C)C)C(=O)c2c3c(nn2C)CCCC3)s1 ZINC000299782607 511679739 /nfs/dbraw/zinc/67/97/39/511679739.db2.gz NGFRLZXKEXAOFN-UHFFFAOYSA-N 0 3 360.527 2.873 50 0 FFAAHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cccc(-c2ncccn2)c1 ZINC000299789801 511682622 /nfs/dbraw/zinc/68/26/22/511682622.db2.gz AKWDPLOYLAYXOW-LJQANCHMSA-N 0 3 366.465 2.517 50 0 FFAAHN CN1CCN(CC[C@H]2CCCCN2C(=O)NC2(c3ccccc3)CC2)CC1 ZINC000426389519 513924980 /nfs/dbraw/zinc/92/49/80/513924980.db2.gz VTMYIRGSLQYMEN-HXUWFJFHSA-N 0 3 370.541 2.877 50 0 FFAAHN O=C(NC[C@@H](O)c1cccs1)NC1CCN(Cc2ccccc2)CC1 ZINC000426497065 513959498 /nfs/dbraw/zinc/95/94/98/513959498.db2.gz BQPQQEXOPWZOGU-QGZVFWFLSA-N 0 3 359.495 2.745 50 0 FFAAHN CC(C)N1CCN(C(=O)NCCN2CCC(c3ccccc3)CC2)CC1 ZINC000426526305 513969280 /nfs/dbraw/zinc/96/92/80/513969280.db2.gz UTZGYRUESKPHSO-UHFFFAOYSA-N 0 3 358.530 2.602 50 0 FFAAHN CCc1nnc(CN(C)C(=O)c2cccc(-c3c(C)cc(N)nc3C)c2)o1 ZINC000426594869 513989848 /nfs/dbraw/zinc/98/98/48/513989848.db2.gz NAJMPXHLENJHRW-UHFFFAOYSA-N 0 3 365.437 3.165 50 0 FFAAHN CO[C@]12CCN(Cc3ccc(C(F)(F)F)nc3)[C@H]1C[C@H](OCCO)CC2 ZINC000426606787 513993654 /nfs/dbraw/zinc/99/36/54/513993654.db2.gz RZLKQCXOXNOFAA-HYVNUMGLSA-N 0 3 374.403 2.621 50 0 FFAAHN CCCN(Cc1nccn1C)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000426668361 514010268 /nfs/dbraw/zinc/01/02/68/514010268.db2.gz NMRFBQGELPCXCW-IBGZPJMESA-N 0 3 369.513 2.864 50 0 FFAAHN CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1ccc(OCCN2CCCC2)cc1 ZINC000456000187 514896622 /nfs/dbraw/zinc/89/66/22/514896622.db2.gz QOBDZTFUJGNTBR-VQTJNVASSA-N 0 3 368.481 2.661 50 0 FFAAHN CN(C)[C@H]1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc(=O)c4c3)cc2)C1 ZINC000534583441 517953333 /nfs/dbraw/zinc/95/33/33/517953333.db2.gz DLOXZLRAWAKJFH-SFHVURJKSA-N 0 3 361.445 2.971 50 0 FFAAHN C[C@@H]1CCCCN1C1CN(C(=O)NCc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC000534665524 517992705 /nfs/dbraw/zinc/99/27/05/517992705.db2.gz QRYFEEPUQMREPT-CYBMUJFWSA-N 0 3 372.444 2.848 50 0 FFAAHN CN(C)[C@@H](CNC(=O)c1cccn(C)c1=O)c1csc2ccccc21 ZINC000575621142 518239179 /nfs/dbraw/zinc/23/91/79/518239179.db2.gz NRCBMGNVLWASPN-INIZCTEOSA-N 0 3 355.463 2.633 50 0 FFAAHN O=C(NC1CCN(CCO)CC1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000584901285 518530311 /nfs/dbraw/zinc/53/03/11/518530311.db2.gz LXDBOJRXNIFGLM-HXUWFJFHSA-N 0 3 359.514 2.640 50 0 FFAAHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NC[C@H]1CCCO1 ZINC000242339324 518917254 /nfs/dbraw/zinc/91/72/54/518917254.db2.gz ZGWPPAPDCGDBNY-RTBURBONSA-N 0 3 359.514 2.938 50 0 FFAAHN CCCN1CCCn2nc(CNC(=O)NCCc3ccccc3)cc2C1 ZINC000082107313 519854968 /nfs/dbraw/zinc/85/49/68/519854968.db2.gz IOGUUDKABBHICQ-UHFFFAOYSA-N 0 3 355.486 2.541 50 0 FFAAHN CN(C)[C@@H](CNC(=O)NCc1ccc(F)cc1)c1ccc2c(c1)CCO2 ZINC000090607312 522019984 /nfs/dbraw/zinc/01/99/84/522019984.db2.gz HTHDOSWWVQZPDX-SFHVURJKSA-N 0 3 357.429 2.863 50 0 FFAAHN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(CN(C)C)cc3)CC2)cc1 ZINC000068251233 534850153 /nfs/dbraw/zinc/85/01/53/534850153.db2.gz HZVWKCHGWOTYLI-UHFFFAOYSA-N 0 3 365.477 2.913 50 0 FFAAHN Cc1ccc([C@@H]2CN(C(=O)[C@H]3CC[C@@H](O)CC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000244794598 525833592 /nfs/dbraw/zinc/83/35/92/525833592.db2.gz QPVCEVORGOWSMG-MLBCHFTJSA-N 0 3 368.521 2.935 50 0 FFAAHN O=C(Cc1ccc(CO)cc1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000091644666 527219455 /nfs/dbraw/zinc/21/94/55/527219455.db2.gz MPMCFBBXFJGTPO-FGZHOGPDSA-N 0 3 364.489 2.844 50 0 FFAAHN CC(C)(O)CCc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000072419362 535294340 /nfs/dbraw/zinc/29/43/40/535294340.db2.gz HFONMNICWYKQBK-UHFFFAOYSA-N 0 3 353.466 2.748 50 0 FFAAHN COc1cc(CN[C@@H]2CCCN(c3cccnn3)C2)cc(Cl)c1OC ZINC000109071013 536807262 /nfs/dbraw/zinc/80/72/62/536807262.db2.gz LMYISORXPAYCFN-CQSZACIVSA-N 0 3 362.861 2.906 50 0 FFAAHN CN(C)CCN(Cc1cccnc1)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000047524980 570891229 /nfs/dbraw/zinc/89/12/29/570891229.db2.gz XWCKTRUPSWYMSW-UHFFFAOYSA-N 0 3 368.485 2.673 50 0 FFAAHN C[N@@H+](CCC[N-]S(=O)(=O)c1cc(F)cc(F)c1)Cc1ccccc1 ZINC000048325206 570946000 /nfs/dbraw/zinc/94/60/00/570946000.db2.gz FDGSPSOGELFENH-UHFFFAOYSA-N 0 3 354.422 2.765 50 0 FFAAHN C[N@H+](CCC[N-]S(=O)(=O)c1cc(F)cc(F)c1)Cc1ccccc1 ZINC000048325206 570945997 /nfs/dbraw/zinc/94/59/97/570945997.db2.gz FDGSPSOGELFENH-UHFFFAOYSA-N 0 3 354.422 2.765 50 0 FFAAHN O=C(CCCN1CCOCC1)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000670452497 571352845 /nfs/dbraw/zinc/35/28/45/571352845.db2.gz GNOWSVCDGMSQIA-OAQYLSRUSA-N 0 3 373.541 2.832 50 0 FFAAHN O=C(NC1CCN(Cc2cccs2)CC1)c1nc2ccccc2[nH]c1=O ZINC000670470005 571360196 /nfs/dbraw/zinc/36/01/96/571360196.db2.gz YRKGKMOAZIELBK-UHFFFAOYSA-N 0 3 368.462 2.791 50 0 FFAAHN CC(C)CCN1CCN(Cc2nc3c(s2)CCCC3)C[C@@H]1CCO ZINC000020211423 727832291 /nfs/dbraw/zinc/83/22/91/727832291.db2.gz MWSNPCFFVHDJAF-INIZCTEOSA-N 0 3 351.560 2.937 50 0 FFAAHN O=C(NCCN1CCCCC1)[C@@H]1CCc2ncc(-c3ccsc3)n2C1 ZINC000169761362 728981857 /nfs/dbraw/zinc/98/18/57/728981857.db2.gz YXKVIWAJVWBOMR-OAHLLOKOSA-N 0 3 358.511 2.776 50 0 FFAAHN CC(C)CN(C(=O)CCn1c2ccccc2oc1=O)C1CCN(C)CC1 ZINC000053231314 971415765 /nfs/dbraw/zinc/41/57/65/971415765.db2.gz JWOSRUYRRDVJOB-UHFFFAOYSA-N 0 3 359.470 2.563 50 0 FFAAHN Cc1ncsc1CN1CCC[C@H](c2cc3n(n2)CCCN(C)C3=O)C1 ZINC000675010532 971484099 /nfs/dbraw/zinc/48/40/99/971484099.db2.gz UJZAAXOGWNVNFJ-AWEZNQCLSA-N 0 3 359.499 2.503 50 0 FFAAHN Cc1nc([C@@H]2CCC[N@H+](Cc3cccn3Cc3cccnc3)C2)cc(=O)[n-]1 ZINC000023429309 969317020 /nfs/dbraw/zinc/31/70/20/969317020.db2.gz GMWXOTSWYVRHDV-GOSISDBHSA-N 0 3 363.465 2.703 50 0 FFAAHN Cc1nc([C@@H]2CCC[N@@H+](Cc3cccn3Cc3cccnc3)C2)cc(=O)[n-]1 ZINC000023429309 969317025 /nfs/dbraw/zinc/31/70/25/969317025.db2.gz GMWXOTSWYVRHDV-GOSISDBHSA-N 0 3 363.465 2.703 50 0 FFAAHN CN1CCCN(c2ccc(-c3nc(COc4ccccc4)no3)cn2)CC1 ZINC000012709700 1014926385 /nfs/dbraw/zinc/92/63/85/1014926385.db2.gz KPEYSEUBALKQPK-UHFFFAOYSA-N 0 3 365.437 2.853 50 0 FFAAHN O=C(Nc1ccccc1)N1CCC2(CC1)C[C@H](N1CCOCC1)CCO2 ZINC000169773910 984960652 /nfs/dbraw/zinc/96/06/52/984960652.db2.gz BAQSKXJWLWHEGP-GOSISDBHSA-N 0 3 359.470 2.564 50 0 FFAAHN CC(=O)N1C[C@@H](CO)C2(C1)CCN(Cc1ccccc1C(F)(F)F)CC2 ZINC000169792919 984969865 /nfs/dbraw/zinc/96/98/65/984969865.db2.gz RZGSCLRIQNTORC-INIZCTEOSA-N 0 3 370.415 2.758 50 0 FFAAHN COc1cccc(N2CCN(C(=O)CN3CCCCCC3)CC2(C)C)c1 ZINC000824782191 999262829 /nfs/dbraw/zinc/26/28/29/999262829.db2.gz PAQNNWJFRBSCMW-UHFFFAOYSA-N 0 3 359.514 2.998 50 0 FFAAHN CN1C[C@H](C(=O)NC2CCN(Cc3cccs3)CC2)Oc2ccccc21 ZINC000827763441 999536936 /nfs/dbraw/zinc/53/69/36/999536936.db2.gz LYNBROPOEDMIEB-LJQANCHMSA-N 0 3 371.506 2.726 50 0 FFAAHN Cc1cc(N2CCN(Cc3cnc(-c4ccccc4)s3)CC2)nc(N)n1 ZINC000065384315 999860231 /nfs/dbraw/zinc/86/02/31/999860231.db2.gz RIVGTHKGDXKOLJ-UHFFFAOYSA-N 0 3 366.494 2.813 50 0 FFAAHN CC(C)C(=O)N1CCC(Cc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000581810409 999948871 /nfs/dbraw/zinc/94/88/71/999948871.db2.gz RDQAUBRLFWMICW-UHFFFAOYSA-N 0 3 357.542 2.871 50 0 FFAAHN CC(C)c1ccc(N[C@H]2CCCN(C(=O)CCN3CCN(C)CC3)C2)cc1 ZINC000019732468 1022543595 /nfs/dbraw/zinc/54/35/95/1022543595.db2.gz BFVGVUZPTNKIJQ-NRFANRHFSA-N 0 3 372.557 2.850 50 0 FFAAHN COc1ccc(OCCCN2CCC[C@H](C(=O)c3nccn3C)C2)cc1 ZINC001506405570 1059496794 /nfs/dbraw/zinc/49/67/94/1059496794.db2.gz VMMCMXDJSUWSIG-INIZCTEOSA-N 0 3 357.454 2.793 50 0 FFAAHN Cc1nn(-c2ccccc2)c(C)c1CN1C[C@@H](Cc2ccncc2)[C@H](O)C1 ZINC001529177465 1062206158 /nfs/dbraw/zinc/20/61/58/1062206158.db2.gz ADLTZQXURYVPLQ-DENIHFKCSA-N 0 3 362.477 2.920 50 0 FFAAHN CC(C)c1ccc([C@@H](N)CNS(=O)(=O)Cc2ccc(Cl)nc2)cc1 ZINC000170684766 209553631 /nfs/dbraw/zinc/55/36/31/209553631.db2.gz ZFYPOHKIYDDIRQ-INIZCTEOSA-N 0 3 367.902 2.978 50 0 FFAAHN Cc1ccc([C@@H]2CN(C(=O)CC3=CSC4=NCCN34)C[C@H]2N(C)C)cc1 ZINC000102655170 209238678 /nfs/dbraw/zinc/23/86/78/209238678.db2.gz XSPWCVUTLPZBHB-ZWKOTPCHSA-N 0 3 370.522 2.501 50 0 FFAAHN O=C(NC1CCN(Cc2cccs2)CC1)c1c[nH]c(=O)c2ccccc12 ZINC000097773182 209196571 /nfs/dbraw/zinc/19/65/71/209196571.db2.gz RGBZHHHORQWHHM-UHFFFAOYSA-N 0 3 367.474 2.984 50 0 FFAAHN COc1cccc2c1OCC(CN1CCC[C@]3(CN(C)C(=O)O3)CC1)=C2 ZINC000097742735 209195214 /nfs/dbraw/zinc/19/52/14/209195214.db2.gz XDKASIVARLDNII-HXUWFJFHSA-N 0 3 358.438 2.778 50 0 FFAAHN Cc1nc(C[C@@H]2CNCCO2)n(-c2nc3ccccc3n2CCC(C)C)n1 ZINC000097674427 209191599 /nfs/dbraw/zinc/19/15/99/209191599.db2.gz ZQOLUYPEPJNXHJ-MRXNPFEDSA-N 0 3 368.485 2.502 50 0 FFAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1ccc2[nH]c(C(C)C)nc2c1 ZINC000097637959 209190705 /nfs/dbraw/zinc/19/07/05/209190705.db2.gz RNUQZIJXPWYTER-IRXDYDNUSA-N 0 3 359.474 2.915 50 0 FFAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1ccc2nc(C(C)C)[nH]c2c1 ZINC000097637959 209190707 /nfs/dbraw/zinc/19/07/07/209190707.db2.gz RNUQZIJXPWYTER-IRXDYDNUSA-N 0 3 359.474 2.915 50 0 FFAAHN CN1CCC(C(=O)NC[C@@H](O)c2cccc(Oc3ccccc3)c2)CC1 ZINC000097619682 209190342 /nfs/dbraw/zinc/19/03/42/209190342.db2.gz RRGZYCZMDQFGPA-HXUWFJFHSA-N 0 3 354.450 2.970 50 0 FFAAHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)CN1CCCCC1=O ZINC000097405190 209180455 /nfs/dbraw/zinc/18/04/55/209180455.db2.gz NHDNNLLDULLVFZ-LJQANCHMSA-N 0 3 371.525 2.588 50 0 FFAAHN Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000097327107 209179149 /nfs/dbraw/zinc/17/91/49/209179149.db2.gz DAULMGYXAICTOV-CYBMUJFWSA-N 0 3 361.877 2.691 50 0 FFAAHN Cc1ccc(-n2nc(C(=O)N3CCC[C@H]3CN(C)C)c3c2CCC3)cc1 ZINC000097000941 209166968 /nfs/dbraw/zinc/16/69/68/209166968.db2.gz LNNRYJOVCHZXFH-KRWDZBQOSA-N 0 3 352.482 2.836 50 0 FFAAHN Cn1cc(-c2nc(CC3CCN(C)CC3)nn2Cc2ccc(F)cc2)cn1 ZINC000096166436 209130868 /nfs/dbraw/zinc/13/08/68/209130868.db2.gz CXXLAQYDAJKZIU-UHFFFAOYSA-N 0 3 368.460 2.750 50 0 FFAAHN CCN1CCCC[C@@H]1C(=O)N1CCc2[nH]c(-c3cccc(OC)c3)nc2C1 ZINC000096137798 209119205 /nfs/dbraw/zinc/11/92/05/209119205.db2.gz VQNCITPGZPNGEQ-LJQANCHMSA-N 0 3 368.481 2.844 50 0 FFAAHN CCN1CCCC[C@@H]1C(=O)N1CCc2nc(-c3cccc(OC)c3)[nH]c2C1 ZINC000096137798 209119208 /nfs/dbraw/zinc/11/92/08/209119208.db2.gz VQNCITPGZPNGEQ-LJQANCHMSA-N 0 3 368.481 2.844 50 0 FFAAHN CCn1c(Cn2cccn2)nnc1C1CCN(Cc2ncccc2C)CC1 ZINC000096148285 209122986 /nfs/dbraw/zinc/12/29/86/209122986.db2.gz PKEOWHXSPJWQBT-UHFFFAOYSA-N 0 3 365.485 2.626 50 0 FFAAHN CCOc1ccc(N2C(=O)C[C@H](NCCc3ccc(F)cc3)C2=O)cc1 ZINC000003864313 206992917 /nfs/dbraw/zinc/99/29/17/206992917.db2.gz WAOZUKVCJJZWQH-SFHVURJKSA-N 0 3 356.397 2.689 50 0 FFAAHN CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCCN(C)C)ccc12 ZINC000006662604 207153023 /nfs/dbraw/zinc/15/30/23/207153023.db2.gz OHNPTBGPXBQAAS-UHFFFAOYSA-N 0 3 360.454 2.501 50 0 FFAAHN CN(C)[C@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)Cc1ccccc1 ZINC000009502060 207274974 /nfs/dbraw/zinc/27/49/74/207274974.db2.gz GTLJVUIJGHLQEI-FQEVSTJZSA-N 0 3 365.477 2.716 50 0 FFAAHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000010544217 207302973 /nfs/dbraw/zinc/30/29/73/207302973.db2.gz CADDKDYHJUTGIY-KRWDZBQOSA-N 0 3 367.515 2.578 50 0 FFAAHN CN(C)CCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000011923315 207329437 /nfs/dbraw/zinc/32/94/37/207329437.db2.gz CJXQYDBDYGXXSB-UHFFFAOYSA-N 0 3 354.479 2.951 50 0 FFAAHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc(Cn2ccc3ccccc32)n[nH]1 ZINC000012433938 207377025 /nfs/dbraw/zinc/37/70/25/207377025.db2.gz GCRXVJTYEKKVNW-INIZCTEOSA-N 0 3 365.481 2.827 50 0 FFAAHN COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CC(C)(C)C)C2)cc1 ZINC000012479390 207382826 /nfs/dbraw/zinc/38/28/26/207382826.db2.gz ZQGFCUBWDUFDSI-HNNXBMFYSA-N 0 3 354.516 2.732 50 0 FFAAHN NC(=O)Nc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000020903581 207755413 /nfs/dbraw/zinc/75/54/13/207755413.db2.gz FMHQJFRAALWZEN-UHFFFAOYSA-N 0 3 352.438 2.572 50 0 FFAAHN CC(=O)c1cccc(OC[C@H](O)CN[C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000032899642 208052895 /nfs/dbraw/zinc/05/28/95/208052895.db2.gz BTEAYRBTNYNVAO-RDTXWAMCSA-N 0 3 371.433 2.751 50 0 FFAAHN CC(C)CCN1C[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CC1=O ZINC000034918496 208117451 /nfs/dbraw/zinc/11/74/51/208117451.db2.gz XAHUYXOOQUXVMK-IBGZPJMESA-N 0 3 371.525 2.662 50 0 FFAAHN COc1ccc(CN(C[C@@H](O)COCC(C)C)C[C@@H]2CCCO2)cc1 ZINC000036095274 208143351 /nfs/dbraw/zinc/14/33/51/208143351.db2.gz FBJRBSUXAZHVGD-QUCCMNQESA-N 0 3 351.487 2.710 50 0 FFAAHN COc1cc(CN2CCN(CC(C)(C)C)C[C@H]2CCO)cc(OC)c1 ZINC000039538019 208212571 /nfs/dbraw/zinc/21/25/71/208212571.db2.gz SIEPOPAEBSPSHB-QGZVFWFLSA-N 0 3 350.503 2.619 50 0 FFAAHN O=C(CCN(C[C@@H]1CCCO1)C[C@@H]1CCCO1)Nc1cccc(F)c1 ZINC000040120171 208230920 /nfs/dbraw/zinc/23/09/20/208230920.db2.gz JGUPKDXCEBBLMT-ROUUACIJSA-N 0 3 350.434 2.814 50 0 FFAAHN COCCN(C)CCCNC(=O)c1cc(Br)ccc1Cl ZINC000041951093 208289006 /nfs/dbraw/zinc/28/90/06/208289006.db2.gz FIHCTWQYNJYORA-UHFFFAOYSA-N 0 3 363.683 2.801 50 0 FFAAHN NS(=O)(=O)c1ccc(OCCN2CCC[C@H]2c2ccsc2)cc1 ZINC000046088812 208359233 /nfs/dbraw/zinc/35/92/33/208359233.db2.gz LNFKMLYEOISZMF-INIZCTEOSA-N 0 3 352.481 2.611 50 0 FFAAHN Cc1cccc(C(=O)NC[C@@H](C)N2CCCC2)c1I ZINC000048128707 208387022 /nfs/dbraw/zinc/38/70/22/208387022.db2.gz KVAFOLINBXJPBZ-GFCCVEGCSA-N 0 3 372.250 2.814 50 0 FFAAHN COc1ccc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(C)=O)cc1C ZINC000091943848 209007491 /nfs/dbraw/zinc/00/74/91/209007491.db2.gz OVDCKTKZFFOCLS-UHFFFAOYSA-N 0 3 368.481 2.623 50 0 FFAAHN COc1ccc(CN2CCC3(CC2)c2[nH]cnc2CCN3C(C)=O)cc1C ZINC000091943848 209007495 /nfs/dbraw/zinc/00/74/95/209007495.db2.gz OVDCKTKZFFOCLS-UHFFFAOYSA-N 0 3 368.481 2.623 50 0 FFAAHN CCCOc1ccccc1CN1CCN(C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000092019274 209010809 /nfs/dbraw/zinc/01/08/09/209010809.db2.gz XMPNKPWSGURSOS-NRFANRHFSA-N 0 3 359.514 2.604 50 0 FFAAHN Cc1cc(C(F)(F)F)cc(N2CCN(C)[C@@]3(C2)CCC(=O)N(C)CC3)n1 ZINC000091645393 132202803 /nfs/dbraw/zinc/20/28/03/132202803.db2.gz NITWHFSPHBJYLG-KRWDZBQOSA-N 0 3 370.419 2.542 50 0 FFAAHN CSc1nccc(N2CCC(NCc3cn4cc(C)ccc4n3)CC2)n1 ZINC000095384310 132209758 /nfs/dbraw/zinc/20/97/58/132209758.db2.gz RNQNOMFJVZAKAD-UHFFFAOYSA-N 0 3 368.510 2.913 50 0 FFAAHN Cc1cccc(N2CCN(CCC(=O)N3CCC(F)(F)CC3)CC2)c1 ZINC000095389453 132210546 /nfs/dbraw/zinc/21/05/46/132210546.db2.gz ORFJYMMFTZCJDR-UHFFFAOYSA-N 0 3 351.441 2.765 50 0 FFAAHN Cc1cc(N2CCC(NCc3nnc4ccccn43)CC2)nc(C(C)C)n1 ZINC000095531530 132215200 /nfs/dbraw/zinc/21/52/00/132215200.db2.gz UPTUEJWUGBVRHX-UHFFFAOYSA-N 0 3 365.485 2.710 50 0 FFAAHN Cc1nc([C@H]2C[C@H]([NH2+]C3CCN(c4ccccc4F)CC3)C2)cc(=O)[n-]1 ZINC000220688832 132275992 /nfs/dbraw/zinc/27/59/92/132275992.db2.gz AVTCHFVOYGEERQ-FZNQNYSPSA-N 0 3 356.445 2.722 50 0 FFAAHN COc1ccc(-c2n[nH]cc2CN[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000109071154 132306775 /nfs/dbraw/zinc/30/67/75/132306775.db2.gz BXUMLHGUGAHLRE-KRWDZBQOSA-N 0 3 364.453 2.634 50 0 FFAAHN Cc1csc2c1ncnc2N1CCC(Cn2cc(C(C)(C)N)nn2)CC1 ZINC000048308285 136123283 /nfs/dbraw/zinc/12/32/83/136123283.db2.gz IUZUJYGNSNBQME-UHFFFAOYSA-N 0 3 371.514 2.702 50 0 FFAAHN Cc1ccc(N2CCC3(CCCN3Cc3cnc(N(C)C)s3)CC2)nn1 ZINC000072447074 136148147 /nfs/dbraw/zinc/14/81/47/136148147.db2.gz OSMGIBZANJBBEC-UHFFFAOYSA-N 0 3 372.542 2.943 50 0 FFAAHN O=C(Cc1nnc(-c2ccsc2)o1)N1CCN(C2CCCCC2)CC1 ZINC000065214295 506270223 /nfs/dbraw/zinc/27/02/23/506270223.db2.gz MCTMAAKAXYCILW-UHFFFAOYSA-N 0 3 360.483 2.818 50 0 FFAAHN O=C(NCc1ccncc1)c1cccnc1N1CCN[C@@H](c2ccccc2)C1 ZINC000065255741 506275602 /nfs/dbraw/zinc/27/56/02/506275602.db2.gz HQQOCURXMGDSRV-HXUWFJFHSA-N 0 3 373.460 2.558 50 0 FFAAHN Cc1nc(NCCNC(=O)Nc2ccccc2F)cc(N2CCCC2)n1 ZINC000065364175 506288522 /nfs/dbraw/zinc/28/85/22/506288522.db2.gz DPOZPVZWHLSAON-UHFFFAOYSA-N 0 3 358.421 2.758 50 0 FFAAHN O=C(CCN1CCC[C@@H]1Cn1cccn1)Nc1nc2ccccc2s1 ZINC000065372083 506290353 /nfs/dbraw/zinc/29/03/53/506290353.db2.gz KKDOPTDMNJSPBJ-CQSZACIVSA-N 0 3 355.467 2.986 50 0 FFAAHN O=C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)NCc1ccco1 ZINC000065406828 506294816 /nfs/dbraw/zinc/29/48/16/506294816.db2.gz YLXQGLRYQHQYLP-UHFFFAOYSA-N 0 3 362.857 2.923 50 0 FFAAHN CC(C)C[C@H](NC1CCN(C(=O)c2ccccc2)CC1)c1ncnn1C ZINC000065394614 506292975 /nfs/dbraw/zinc/29/29/75/506292975.db2.gz FWUIZGNZZAUDCE-SFHVURJKSA-N 0 3 355.486 2.797 50 0 FFAAHN Cc1cc(-n2nc(C(C)C)nc2Cn2cnc3ccccc3c2=O)ccn1 ZINC000065433516 506299104 /nfs/dbraw/zinc/29/91/04/506299104.db2.gz CKVSYHRCFDILND-UHFFFAOYSA-N 0 3 360.421 2.852 50 0 FFAAHN NS(=O)(=O)c1ccc(CCN2CCC3=C(CCc4ccccc43)C2)cc1 ZINC000003105977 506311010 /nfs/dbraw/zinc/31/10/10/506311010.db2.gz BCWXIIBJPBMZNE-UHFFFAOYSA-N 0 3 368.502 2.982 50 0 FFAAHN CSc1nc2sc3c(c2c(N2CCNCC2)n1)CC(C)(C)OC3 ZINC000005246518 506431618 /nfs/dbraw/zinc/43/16/18/506431618.db2.gz YQISXZUYBUDSNS-UHFFFAOYSA-N 0 3 350.513 2.674 50 0 FFAAHN O=C(CCN1CCSC1=O)NCc1ccccc1CN1CCCCC1 ZINC000039998479 506457699 /nfs/dbraw/zinc/45/76/99/506457699.db2.gz OMQGLOOGLFMGPW-UHFFFAOYSA-N 0 3 361.511 2.848 50 0 FFAAHN COc1ccccc1-n1cc(-c2ccnc(NC3CCN(C)CC3)n2)cn1 ZINC000055053158 506667325 /nfs/dbraw/zinc/66/73/25/506667325.db2.gz QWAXKLLMJOACAN-UHFFFAOYSA-N 0 3 364.453 2.844 50 0 FFAAHN Cc1ccsc1CN(CC[NH+](C)C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000055074110 506671392 /nfs/dbraw/zinc/67/13/92/506671392.db2.gz YHORMMZAUDLYEH-UHFFFAOYSA-N 0 3 356.499 2.800 50 0 FFAAHN COc1ccccc1/C=C/CN1CCC(n2cc(CN(C)C)nn2)CC1 ZINC000055393330 506741672 /nfs/dbraw/zinc/74/16/72/506741672.db2.gz OWWFNSWGFMSUKV-SOFGYWHQSA-N 0 3 355.486 2.699 50 0 FFAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1CC1 ZINC000012612678 506883854 /nfs/dbraw/zinc/88/38/54/506883854.db2.gz KXBLBLIXXSQYQJ-KRWDZBQOSA-N 0 3 361.505 2.838 50 0 FFAAHN CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)CCn3cncn3)C2)cc1 ZINC000012713645 506891671 /nfs/dbraw/zinc/89/16/71/506891671.db2.gz YEOLDMHNPZZQLM-FQEVSTJZSA-N 0 3 369.513 2.648 50 0 FFAAHN COc1ccc(OC[C@@H](O)CN2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000012788745 506902396 /nfs/dbraw/zinc/90/23/96/506902396.db2.gz RZRWIZRRMZWSRR-IBGZPJMESA-N 0 3 355.434 2.930 50 0 FFAAHN C[C@@H]1CN(C2CCC3(CC2)CCN(C(=O)c2ccno2)CC3)C[C@H](C)O1 ZINC000067515498 506906452 /nfs/dbraw/zinc/90/64/52/506906452.db2.gz AQWTVDVOSQKWLI-IYBDPMFKSA-N 0 3 361.486 2.949 50 0 FFAAHN Cc1cccc(C[C@H](C)Nc2nc(-c3ccncc3)nc3c2CCNC3)n1 ZINC000067690560 506978939 /nfs/dbraw/zinc/97/89/39/506978939.db2.gz JDFAKVKBVLLJNT-HNNXBMFYSA-N 0 3 360.465 2.931 50 0 FFAAHN Cc1ccccc1CN1CCC[C@H](n2cc(C(=O)N3CCCC3)nn2)C1 ZINC000014982734 507009436 /nfs/dbraw/zinc/00/94/36/507009436.db2.gz RIGGHANRAHRBQW-SFHVURJKSA-N 0 3 353.470 2.660 50 0 FFAAHN CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3ccccc3C)C2)nn1 ZINC000014996232 507011825 /nfs/dbraw/zinc/01/18/25/507011825.db2.gz ROCJBMPVFYSCBQ-GOSISDBHSA-N 0 3 355.486 2.906 50 0 FFAAHN CCOc1cc(CN2CCN(C)C3(CC[NH+](C)CC3)C2)cc(Cl)c1[O-] ZINC000067886560 507040279 /nfs/dbraw/zinc/04/02/79/507040279.db2.gz PJDJZVCBVUWTOU-UHFFFAOYSA-N 0 3 367.921 2.656 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)c1cnn2c1ncc1c2CCCCCC1 ZINC000015723590 507056248 /nfs/dbraw/zinc/05/62/48/507056248.db2.gz OJBAPCHPZPNZPW-MRXNPFEDSA-N 0 3 355.486 2.602 50 0 FFAAHN CN(CCCNC(=O)N[C@@H]1COc2ccccc2C1)Cc1ccccc1 ZINC000015787248 507059198 /nfs/dbraw/zinc/05/91/98/507059198.db2.gz PPKKGVGMRLRHOU-IBGZPJMESA-N 0 3 353.466 2.811 50 0 FFAAHN C[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)[C@@H](O)c1ccc(O)cc1 ZINC000016044161 507070563 /nfs/dbraw/zinc/07/05/63/507070563.db2.gz JMVYEBIJCGPPPF-ZAOYMGCJSA-N 0 3 367.445 2.997 50 0 FFAAHN CCCOc1ccc(N2C(=O)C[C@@H](NCCc3ccccc3)C2=O)cc1 ZINC000019503886 507175399 /nfs/dbraw/zinc/17/53/99/507175399.db2.gz KYGCCJRAHIGYSX-LJQANCHMSA-N 0 3 352.434 2.940 50 0 FFAAHN CCOc1ccc(N2C(=O)C[C@@H](NCCc3cccc(F)c3)C2=O)cc1 ZINC000019533496 507177614 /nfs/dbraw/zinc/17/76/14/507177614.db2.gz MNSBLJMLIGRDSJ-GOSISDBHSA-N 0 3 356.397 2.689 50 0 FFAAHN CC(C)CCN1CCN(Cc2cccn2-c2cccnc2)C[C@@H]1CCO ZINC000019720671 507197007 /nfs/dbraw/zinc/19/70/07/507197007.db2.gz YGWXSXSOLSACMZ-FQEVSTJZSA-N 0 3 356.514 2.787 50 0 FFAAHN Cn1ncc2c3nc([C@@H]4CCCN(Cc5ccc(F)cc5)C4)nn3cnc21 ZINC000020044878 507209934 /nfs/dbraw/zinc/20/99/34/507209934.db2.gz OWSXEXJITBTBSQ-CQSZACIVSA-N 0 3 365.416 2.530 50 0 FFAAHN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000020999663 507240067 /nfs/dbraw/zinc/24/00/67/507240067.db2.gz SYGJKURXQUNLAS-HXUWFJFHSA-N 0 3 366.509 2.877 50 0 FFAAHN CCCCc1ccc(-n2nnn(CN3CCCN(C)CC3)c2=S)cc1 ZINC000022039410 507278085 /nfs/dbraw/zinc/27/80/85/507278085.db2.gz SUHCJPGWYFPLNL-UHFFFAOYSA-N 0 3 360.531 2.736 50 0 FFAAHN Cc1ncc2c(c1-c1noc(-c3cccc(-c4nc[nH]n4)c3)n1)CCNC2 ZINC000023581735 507361114 /nfs/dbraw/zinc/36/11/14/507361114.db2.gz BNIPPSWDOPAJGT-UHFFFAOYSA-N 0 3 359.393 2.538 50 0 FFAAHN COc1cc([C@H](C)NC(=O)C(C)S(=O)(=O)C(C)C)ccc1OC(C)C ZINC000058368258 507409364 /nfs/dbraw/zinc/40/93/64/507409364.db2.gz HPPRQYSRSBYYHS-UONOGXRCSA-N 0 3 371.499 2.871 50 0 FFAAHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1ccn(CCc2ccccn2)n1 ZINC000058425829 507417452 /nfs/dbraw/zinc/41/74/52/507417452.db2.gz DIPRLLHAQJGNPK-LIRRHRJNSA-N 0 3 364.405 2.688 50 0 FFAAHN CSc1ccc(CN(C)CCC(=O)Nc2ccccc2C(N)=O)cc1 ZINC000025917992 507544880 /nfs/dbraw/zinc/54/48/80/507544880.db2.gz YNCYYWIFLSWHCL-UHFFFAOYSA-N 0 3 357.479 2.968 50 0 FFAAHN CC(C)[C@@H]1CN(CCn2ccnc2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071712240 507708538 /nfs/dbraw/zinc/70/85/38/507708538.db2.gz QNJQFUUCHZDWHR-IBGZPJMESA-N 0 3 358.461 2.781 50 0 FFAAHN Cc1ccc(CN2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)o1 ZINC000071746646 507710658 /nfs/dbraw/zinc/71/06/58/507710658.db2.gz QUGJVEPCJORRLH-UHFFFAOYSA-N 0 3 352.438 2.901 50 0 FFAAHN C[C@@H]1CCCCN1C1CN(c2ccnc(C(=O)NCc3ccco3)c2)C1 ZINC000071755202 507711905 /nfs/dbraw/zinc/71/19/05/507711905.db2.gz QXXOVEGLTLYGTD-OAHLLOKOSA-N 0 3 354.454 2.668 50 0 FFAAHN CCN1CCN(C2(CNC(=O)COc3ccc(C)cc3)CCCCC2)CC1 ZINC000028403134 507723441 /nfs/dbraw/zinc/72/34/41/507723441.db2.gz WLFRMZCPELXQHH-UHFFFAOYSA-N 0 3 373.541 2.830 50 0 FFAAHN COc1c(C)cnc(CN2CC[C@H](Cc3cccc(C(N)=O)c3)C2)c1C ZINC000072126362 507751134 /nfs/dbraw/zinc/75/11/34/507751134.db2.gz BMUQMQUEXQQFEU-QGZVFWFLSA-N 0 3 353.466 2.871 50 0 FFAAHN COCc1nc2c(cnn2C)c(NC[C@H](c2sccc2C)N(C)C)n1 ZINC000072126643 507751851 /nfs/dbraw/zinc/75/18/51/507751851.db2.gz FHDCASKDDPGESP-CYBMUJFWSA-N 0 3 360.487 2.594 50 0 FFAAHN O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H](N2CCC(CO)CC2)C1 ZINC000072147891 507757983 /nfs/dbraw/zinc/75/79/83/507757983.db2.gz YSINPPCRPLXCAC-GOSISDBHSA-N 0 3 369.465 2.651 50 0 FFAAHN COc1ccccc1OC1CCN(Cc2cccc(OCC(N)=O)c2)CC1 ZINC000072150883 507759661 /nfs/dbraw/zinc/75/96/61/507759661.db2.gz OANTWZAHNWGBEN-UHFFFAOYSA-N 0 3 370.449 2.603 50 0 FFAAHN Cc1nn(C)cc1NC(=O)CN1CCCC[C@@H]1c1ccc(CN(C)C)cc1 ZINC000072156126 507762502 /nfs/dbraw/zinc/76/25/02/507762502.db2.gz PZCCZHCKKPNKPD-HXUWFJFHSA-N 0 3 369.513 2.956 50 0 FFAAHN Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(-c4cc[nH]n4)s3)C2)cc(=O)[n-]1 ZINC000072163836 507766907 /nfs/dbraw/zinc/76/69/07/507766907.db2.gz GQBWOPUXPGFKEX-CYBMUJFWSA-N 0 3 355.467 2.910 50 0 FFAAHN Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(-c4cc[nH]n4)s3)C2)cc(=O)[n-]1 ZINC000072163836 507766910 /nfs/dbraw/zinc/76/69/10/507766910.db2.gz GQBWOPUXPGFKEX-CYBMUJFWSA-N 0 3 355.467 2.910 50 0 FFAAHN OC[C@@H]1CCCCN1CCNc1cc(-c2ccc(F)cc2)nc2ccnn21 ZINC000072479543 507797547 /nfs/dbraw/zinc/79/75/47/507797547.db2.gz FEUFLOFLACUMOO-KRWDZBQOSA-N 0 3 369.444 2.794 50 0 FFAAHN CC(=O)N1CCc2[nH]cnc2C12CCN(C/C=C/c1ccccc1)CC2 ZINC000091445107 507986415 /nfs/dbraw/zinc/98/64/15/507986415.db2.gz WWHNFIOWKPHOMD-VMPITWQZSA-N 0 3 350.466 2.819 50 0 FFAAHN CC(=O)N1CCc2nc[nH]c2C12CCN(C/C=C/c1ccccc1)CC2 ZINC000091445107 507986418 /nfs/dbraw/zinc/98/64/18/507986418.db2.gz WWHNFIOWKPHOMD-VMPITWQZSA-N 0 3 350.466 2.819 50 0 FFAAHN O=C1CC[C@]2(CCCN(Cc3ccnc4ccccc34)C2)CN1CCCO ZINC000082086637 508224923 /nfs/dbraw/zinc/22/49/23/508224923.db2.gz JCRCGWVIPNPVJD-QFIPXVFZSA-N 0 3 367.493 2.822 50 0 FFAAHN O=C(Cn1ccccc1=O)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000097528082 508225849 /nfs/dbraw/zinc/22/58/49/508225849.db2.gz HTYYHHPBHMTPMO-IBGZPJMESA-N 0 3 353.466 2.582 50 0 FFAAHN Cc1ccc([C@@H]2CN(C(=O)Cn3cc4ccccc4n3)C[C@H]2N(C)C)cc1 ZINC000077299636 508297152 /nfs/dbraw/zinc/29/71/52/508297152.db2.gz OYQKVJCNJIWUJU-PZJWPPBQSA-N 0 3 362.477 2.901 50 0 FFAAHN O=C(NCCN1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1)c1ccccc1 ZINC000077385450 508308905 /nfs/dbraw/zinc/30/89/05/508308905.db2.gz SQBQNAXRPLLCGQ-JOCHJYFZSA-N 0 3 369.509 2.531 50 0 FFAAHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2CCN(C(=O)C3CC3)CC2)C1 ZINC000106135355 508396160 /nfs/dbraw/zinc/39/61/60/508396160.db2.gz QNVMJSAATSRWSN-OXQOHEQNSA-N 0 3 369.509 2.587 50 0 FFAAHN Cc1ccc(-c2nc(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)cs2)cc1 ZINC000106166473 508396919 /nfs/dbraw/zinc/39/69/19/508396919.db2.gz IXRCGOBUBCTRGZ-HOTGVXAUSA-N 0 3 357.479 2.712 50 0 FFAAHN Fc1ccc(-c2nc(CN3CC[C@H](CN4CCOCC4)C3)co2)cc1F ZINC000129168457 508692732 /nfs/dbraw/zinc/69/27/32/508692732.db2.gz OZJBTWIPGWVIEH-CQSZACIVSA-N 0 3 363.408 2.774 50 0 FFAAHN CN1CCN(C[C@H]2CCCN(C(=O)Cc3ccc(F)cc3Cl)C2)CC1 ZINC000215216312 509245167 /nfs/dbraw/zinc/24/51/67/509245167.db2.gz ADXGYVMTXMBPQI-OAHLLOKOSA-N 0 3 367.896 2.508 50 0 FFAAHN COc1ccc(Cl)cc1NC(=O)CCN1CCN2CCCC[C@@H]2C1 ZINC000172804009 509245449 /nfs/dbraw/zinc/24/54/49/509245449.db2.gz PRBKSLPPRQIPQQ-OAHLLOKOSA-N 0 3 351.878 2.847 50 0 FFAAHN Cn1cc(CN2CCCO[C@@H](Cn3cccn3)C2)c(-c2ccccc2)n1 ZINC000216261991 509257933 /nfs/dbraw/zinc/25/79/33/509257933.db2.gz PTVYFBIPMKRXJH-LJQANCHMSA-N 0 3 351.454 2.575 50 0 FFAAHN CN(Cc1ccc2c(c1)CN(C)C2)Cc1cnc(NC[C@@H]2CCCO2)nc1 ZINC000216325397 509259914 /nfs/dbraw/zinc/25/99/14/509259914.db2.gz FBQNBYHTHVCUGP-FQEVSTJZSA-N 0 3 367.497 2.645 50 0 FFAAHN CC[C@H](OC1CCCC1)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000222256478 509312382 /nfs/dbraw/zinc/31/23/82/509312382.db2.gz KNIDOBPEFVGQJK-QUCCMNQESA-N 0 3 360.498 2.607 50 0 FFAAHN CS(=O)(=O)NCCc1ccc(-c2csc(C3(N)CCCC3)n2)cc1 ZINC000225500574 509374806 /nfs/dbraw/zinc/37/48/06/509374806.db2.gz KVPOPRODHHRFON-UHFFFAOYSA-N 0 3 365.524 2.630 50 0 FFAAHN Cc1cccc(-c2n[nH]cc2C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000252510089 509847600 /nfs/dbraw/zinc/84/76/00/509847600.db2.gz ZBDZFHGGYAEHOW-SFHVURJKSA-N 0 3 368.481 2.758 50 0 FFAAHN CN(C[C@H](O)COc1ccccc1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000252569018 509853636 /nfs/dbraw/zinc/85/36/36/509853636.db2.gz VTZVLKQNHIIZNC-FUHWJXTLSA-N 0 3 364.486 2.661 50 0 FFAAHN C[C@H]1CCc2nc(NC(=O)CN(C)CCCc3nccn3C)sc2C1 ZINC000244884304 509875575 /nfs/dbraw/zinc/87/55/75/509875575.db2.gz YJLYWBKNGKHNPN-ZDUSSCGKSA-N 0 3 361.515 2.505 50 0 FFAAHN O=C(CCN1CCC[C@@H](OCc2ccccn2)C1)NCc1cccs1 ZINC000244887888 509875927 /nfs/dbraw/zinc/87/59/27/509875927.db2.gz YQCZOBLJHIYLFW-QGZVFWFLSA-N 0 3 359.495 2.831 50 0 FFAAHN CC(C)c1ccc(NC(=O)C2CC(=O)N=C3N(N)c4ccccc4N32)cc1 ZINC000253495479 509885695 /nfs/dbraw/zinc/88/56/95/509885695.db2.gz GBNKQNWCNJWFHR-QGZVFWFLSA-N 0 3 363.421 2.604 50 0 FFAAHN CC(C)N1C(=O)C2(CCCC2)[C@H]1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000257189288 509952438 /nfs/dbraw/zinc/95/24/38/509952438.db2.gz IDVKEGCTIQPLAS-GOSISDBHSA-N 0 3 361.530 2.643 50 0 FFAAHN CCc1nc(C2CCN(C[C@H](O)COc3c(C)cccc3C)CC2)n[nH]1 ZINC000190645065 510259552 /nfs/dbraw/zinc/25/95/52/510259552.db2.gz FPVLJCVNLXJZIV-KRWDZBQOSA-N 0 3 358.486 2.603 50 0 FFAAHN CCc1n[nH]c(C2CCN(C[C@H](O)COc3c(C)cccc3C)CC2)n1 ZINC000190645065 510259558 /nfs/dbraw/zinc/25/95/58/510259558.db2.gz FPVLJCVNLXJZIV-KRWDZBQOSA-N 0 3 358.486 2.603 50 0 FFAAHN CCS(=O)(=O)C(C)C(=O)N1CCC(Oc2cccc(Cl)c2)CC1 ZINC000299762587 511671912 /nfs/dbraw/zinc/67/19/12/511671912.db2.gz NZORMCYDXZKLNJ-LBPRGKRZSA-N 0 3 359.875 2.533 50 0 FFAAHN Cc1cnc2c(C(=O)NCCN3CC[C@H](c4ccccc4C)C3)cnn2c1 ZINC000299765087 511672985 /nfs/dbraw/zinc/67/29/85/511672985.db2.gz VEJSJCCOQWEDEO-KRWDZBQOSA-N 0 3 363.465 2.565 50 0 FFAAHN Cc1ccccc1CSCC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000299765429 511673297 /nfs/dbraw/zinc/67/32/97/511673297.db2.gz GPYWBLRJNUEFHG-LJQANCHMSA-N 0 3 362.539 2.988 50 0 FFAAHN O=C(Nc1ccnn1-c1ccccc1)N1CCCO[C@@H](CN2CCCC2)C1 ZINC000299766851 511673546 /nfs/dbraw/zinc/67/35/46/511673546.db2.gz GIOXJNLMLPSPTI-SFHVURJKSA-N 0 3 369.469 2.591 50 0 FFAAHN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc(CN2CCCC2)o1 ZINC000299775787 511675658 /nfs/dbraw/zinc/67/56/58/511675658.db2.gz JSYUSDMOXVIKDQ-UHFFFAOYSA-N 0 3 356.401 2.863 50 0 FFAAHN CCNC(=O)[C@@H]1C[C@H](NCc2cccc(F)c2)CN1Cc1ccccc1 ZINC000299778717 511677271 /nfs/dbraw/zinc/67/72/71/511677271.db2.gz HCPUNCFUGWVBFK-PMACEKPBSA-N 0 3 355.457 2.695 50 0 FFAAHN O=C(NCCN1CCC[C@H](CO)C1)Nc1cc(C(F)(F)F)ccc1F ZINC000299776814 511677425 /nfs/dbraw/zinc/67/74/25/511677425.db2.gz MAJWBOSSGNMOQT-NSHDSACASA-N 0 3 363.355 2.670 50 0 FFAAHN CO[C@@H]1CC[C@@]2(OC)CCN(Cc3cnc(C(F)(F)F)nc3C)[C@H]2C1 ZINC000299780833 511679842 /nfs/dbraw/zinc/67/98/42/511679842.db2.gz DCWISOMKLIIZRN-IJEWVQPXSA-N 0 3 359.392 2.962 50 0 FFAAHN Cc1cc(C[C@@H](C)NC(=O)Nc2ccccc2OC2CCN(C)CC2)[nH]n1 ZINC000299795400 511684573 /nfs/dbraw/zinc/68/45/73/511684573.db2.gz OJORFTKRVLYIKY-CQSZACIVSA-N 0 3 371.485 2.944 50 0 FFAAHN COc1ccc([C@@H](NC(=O)N2CCCN(C)CC2)c2ccncc2)cc1 ZINC000426377986 513920585 /nfs/dbraw/zinc/92/05/85/513920585.db2.gz LNCIOLUARMTEBM-LJQANCHMSA-N 0 3 354.454 2.527 50 0 FFAAHN CCC[C@@H](CNC(=O)c1cccc(-c2ccc(C(N)=O)cc2)c1)N(C)C ZINC000426434011 513938350 /nfs/dbraw/zinc/93/83/50/513938350.db2.gz IHIGWZSODKVCSX-IBGZPJMESA-N 0 3 353.466 2.913 50 0 FFAAHN CNC(=O)c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)o1 ZINC000426545323 513975762 /nfs/dbraw/zinc/97/57/62/513975762.db2.gz OBHLVLYTBQHAMD-UHFFFAOYSA-N 0 3 355.438 2.522 50 0 FFAAHN COCc1nc([C@@H]2CCOC2)cc(N2CCN(C3CCCCC3)CC2)n1 ZINC000426668463 514010300 /nfs/dbraw/zinc/01/03/00/514010300.db2.gz SVWNWSMVOCMWDI-MRXNPFEDSA-N 0 3 360.502 2.582 50 0 FFAAHN CC(C)CCN1CCN(Cc2cnn(-c3cccc(F)c3)c2)C[C@@H]1CCO ZINC000020448905 519654273 /nfs/dbraw/zinc/65/42/73/519654273.db2.gz MIXDYYNRYQXAHV-NRFANRHFSA-N 0 3 374.504 2.926 50 0 FFAAHN COc1ccc(C2(C(=O)NCc3cc4n(n3)CCCNC4)CCCC2)cc1 ZINC000082108390 523866822 /nfs/dbraw/zinc/86/68/22/523866822.db2.gz IFBSVICWQQQARK-UHFFFAOYSA-N 0 3 368.481 2.513 50 0 FFAAHN COc1ccc(CC(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)cc1 ZINC000082107793 523902521 /nfs/dbraw/zinc/90/25/21/523902521.db2.gz ROIWHTKGDXMSLM-UHFFFAOYSA-N 0 3 370.497 2.612 50 0 FFAAHN Cc1cccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)n1 ZINC000091563482 524550066 /nfs/dbraw/zinc/55/00/66/524550066.db2.gz VHYXQFQBZLJUHB-UHFFFAOYSA-N 0 3 365.412 2.882 50 0 FFAAHN COc1cccc(CNCCN2CCOCC2)c1OCc1ccc(F)cc1 ZINC000019872208 526016003 /nfs/dbraw/zinc/01/60/03/526016003.db2.gz NZYAZERACIZASM-UHFFFAOYSA-N 0 3 374.456 2.835 50 0 FFAAHN C[C@H](C1CCN(C(=O)c2ccc3occc3c2)CC1)N1CCN(C)CC1 ZINC000091678489 526215657 /nfs/dbraw/zinc/21/56/57/526215657.db2.gz VBILJDHVVGPSBU-MRXNPFEDSA-N 0 3 355.482 2.921 50 0 FFAAHN O=C(c1ccc([C@H]2CCCN2CCCn2cccn2)s1)N1CCOCC1 ZINC000020909384 526713043 /nfs/dbraw/zinc/71/30/43/526713043.db2.gz CBNOLASYAULBQZ-MRXNPFEDSA-N 0 3 374.510 2.644 50 0 FFAAHN COCc1cc(CNC2CCN(c3ncnc4sc(C)cc43)CC2)[nH]n1 ZINC000095521477 536711840 /nfs/dbraw/zinc/71/18/40/536711840.db2.gz CPWZOXMCXWMKJF-UHFFFAOYSA-N 0 3 372.498 2.628 50 0 FFAAHN O=C(CN1CC[C@H](c2ccccc2)C1)N1CCC(Oc2cccnc2)CC1 ZINC000230558609 571096479 /nfs/dbraw/zinc/09/64/79/571096479.db2.gz ZDGQEBXPWPBBNH-IBGZPJMESA-N 0 3 365.477 2.941 50 0 FFAAHN CN(C)c1cc(NC(=O)CNCCc2ccc(O)cc2)c2ccccc2n1 ZINC000003143992 571106797 /nfs/dbraw/zinc/10/67/97/571106797.db2.gz YQLLUARDRXMICS-UHFFFAOYSA-N 0 3 364.449 2.777 50 0 FFAAHN CC(C)c1noc(CCN[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)n1 ZINC000089578360 728444155 /nfs/dbraw/zinc/44/41/55/728444155.db2.gz REALHCKAUZJAEW-LLVKDONJSA-N 0 3 355.435 2.629 50 0 FFAAHN COc1cc2c(cc1CN1CCC(n3cc([C@H](C)O)nn3)CC1)CCC2 ZINC000023159580 967204114 /nfs/dbraw/zinc/20/41/14/967204114.db2.gz CBSVVKPAPPCKOX-AWEZNQCLSA-N 0 3 356.470 2.666 50 0 FFAAHN Cc1nc([C@H]2CCC[N@H+](Cc3cccn3Cc3cccnc3)C2)cc(=O)[n-]1 ZINC000023429313 969316799 /nfs/dbraw/zinc/31/67/99/969316799.db2.gz GMWXOTSWYVRHDV-SFHVURJKSA-N 0 3 363.465 2.703 50 0 FFAAHN Cc1nc([C@H]2CCC[N@@H+](Cc3cccn3Cc3cccnc3)C2)cc(=O)[n-]1 ZINC000023429313 969316800 /nfs/dbraw/zinc/31/68/00/969316800.db2.gz GMWXOTSWYVRHDV-SFHVURJKSA-N 0 3 363.465 2.703 50 0 FFAAHN COc1ccccc1Nc1ncccc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000195320265 974470831 /nfs/dbraw/zinc/47/08/31/974470831.db2.gz ULWKECLZXFCSIR-OAHLLOKOSA-N 0 3 352.438 2.754 50 0 FFAAHN CN1CCC(N(C[C@@H]2CCOC2)C(=O)c2nccc3ccccc32)CC1 ZINC000169751269 984951812 /nfs/dbraw/zinc/95/18/12/984951812.db2.gz JVGXFZVGWRJTHT-INIZCTEOSA-N 0 3 353.466 2.808 50 0 FFAAHN CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(C)cc1)CC2)C(C)C ZINC000011869125 987630025 /nfs/dbraw/zinc/63/00/25/987630025.db2.gz OPWHWTOKZOYMJQ-FQEVSTJZSA-N 0 3 369.513 2.868 50 0 FFAAHN Cc1ccc(CN2CCC3(C[C@@H]3C(=O)NCCc3ccccn3)CC2)o1 ZINC000012508576 989718605 /nfs/dbraw/zinc/71/86/05/989718605.db2.gz DIRJTSJHWPZGDL-LJQANCHMSA-N 0 3 353.466 2.944 50 0 FFAAHN C[C@@H](c1nc(Cc2cccs2)nn1-c1ccncc1)N1CCN(C)CC1 ZINC000823789433 999085748 /nfs/dbraw/zinc/08/57/48/999085748.db2.gz PTFWZJWYLPBLQJ-HNNXBMFYSA-N 0 3 368.510 2.623 50 0 FFAAHN COc1ccc(C[C@H](N)C(=O)Nc2ccccc2Cn2ccnc2C)cc1 ZINC000824673657 999245793 /nfs/dbraw/zinc/24/57/93/999245793.db2.gz SEEAEEFADITAQG-IBGZPJMESA-N 0 3 364.449 2.757 50 0 FFAAHN O=C1CC[C@H](NCc2[nH]nc3c2CCCCC3)CN1Cc1ccccc1 ZINC000828256395 999562632 /nfs/dbraw/zinc/56/26/32/999562632.db2.gz DMNFHCCWFNMHLP-KRWDZBQOSA-N 0 3 352.482 2.959 50 0 FFAAHN Cc1ccccc1-c1cccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)c1 ZINC000200516583 1001612890 /nfs/dbraw/zinc/61/28/90/1001612890.db2.gz RIHFQZGBCHSTFN-VXKWHMMOSA-N 0 3 352.478 2.539 50 0 FFAAHN CN(CC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1)C1CCCC1 ZINC001506396688 1059488878 /nfs/dbraw/zinc/48/88/78/1059488878.db2.gz FCEGSQZQSNWMNU-UHFFFAOYSA-N 0 3 357.458 2.682 50 0 FFAAHN Cc1cccc(OCCN2CC[C@H](O)[C@](CO)(Cc3ccccc3)C2)c1C ZINC001529167929 1062198852 /nfs/dbraw/zinc/19/88/52/1062198852.db2.gz SWFPUAKQGAFTFG-XZOQPEGZSA-N 0 3 369.505 2.970 50 0 FFAAHN Cc1cc(C[C@@H]2CN(Cc3cc4ccc(C)cc4[nH]c3=O)C[C@@H]2O)on1 ZINC001529191259 1062212452 /nfs/dbraw/zinc/21/24/52/1062212452.db2.gz VQEKSNYDPVGYFT-BEFAXECRSA-N 0 3 353.422 2.581 50 0 FFAAHN CCNC(=O)C[C@H]1CCCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000253422864 209943863 /nfs/dbraw/zinc/94/38/63/209943863.db2.gz DJFOWDRYHCZTSD-LJQANCHMSA-N 0 3 357.498 2.803 50 0 FFAAHN COc1cc(CNCc2ccc3c(c2)CC(C)(C)O3)ccc1OCC(N)=O ZINC000237271610 209342032 /nfs/dbraw/zinc/34/20/32/209342032.db2.gz QTCKNWRVFPSYCG-UHFFFAOYSA-N 0 3 370.449 2.563 50 0 FFAAHN COc1cccc([C@H]2CCN(Cc3cccc(OCC(N)=O)c3)C2)c1OC ZINC000097698759 209192418 /nfs/dbraw/zinc/19/24/18/209192418.db2.gz LYRSJRNXFJPEQI-INIZCTEOSA-N 0 3 370.449 2.557 50 0 FFAAHN COCCN1CCC[C@@H](C(=O)NCc2nc(-c3ccccc3)cs2)C1 ZINC000097578844 209188078 /nfs/dbraw/zinc/18/80/78/209188078.db2.gz CMCWFSBNPTVZFH-MRXNPFEDSA-N 0 3 359.495 2.785 50 0 FFAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)c2cccnc2N(C)C)C1 ZINC000097553206 209186509 /nfs/dbraw/zinc/18/65/09/209186509.db2.gz MTNBJBILUPIAMY-KRWDZBQOSA-N 0 3 352.482 2.675 50 0 FFAAHN Cc1ccc(C)c(-c2n[nH]cc2CN2C[C@H](O)[C@@H](N3CCCCC3)C2)c1 ZINC000097547750 209185242 /nfs/dbraw/zinc/18/52/42/209185242.db2.gz ZHXILHZWTXSGFM-PMACEKPBSA-N 0 3 354.498 2.725 50 0 FFAAHN O=C(NC[C@@H](c1cccnc1)N1CCCCC1)c1[nH]nc2c1CCCC2 ZINC000096152739 209124870 /nfs/dbraw/zinc/12/48/70/209124870.db2.gz FARMIPTWSDKMII-SFHVURJKSA-N 0 3 353.470 2.641 50 0 FFAAHN CN1CCC(Cc2nc(C[C@H]3CCCOC3)n(CC(F)(F)F)n2)CC1 ZINC000096138459 209118362 /nfs/dbraw/zinc/11/83/62/209118362.db2.gz NQEJOQVROHVQDH-CQSZACIVSA-N 0 3 360.424 2.694 50 0 FFAAHN O[C@H](CNCCNc1ccc(C(F)(F)F)cn1)COc1ccccc1 ZINC000004299475 207011131 /nfs/dbraw/zinc/01/11/31/207011131.db2.gz XSKWCPPGOGQYLW-CQSZACIVSA-N 0 3 355.360 2.542 50 0 FFAAHN CCOC(=O)[C@H]1CCCN(C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000004393834 207018067 /nfs/dbraw/zinc/01/80/67/207018067.db2.gz CUXRNHVITUJGQR-OALUTQOASA-N 0 3 357.450 2.855 50 0 FFAAHN CCOc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCC ZINC000005019774 207072560 /nfs/dbraw/zinc/07/25/60/207072560.db2.gz ABGQCHQNCLMHSL-UHFFFAOYSA-N 0 3 356.894 2.949 50 0 FFAAHN COCCN(CCOC)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000005602863 207108137 /nfs/dbraw/zinc/10/81/37/207108137.db2.gz UMHYOFBMKWFGJK-NRFANRHFSA-N 0 3 373.493 2.748 50 0 FFAAHN COc1cc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc(OC)c1OC ZINC000007683616 207202012 /nfs/dbraw/zinc/20/20/12/207202012.db2.gz AVXWRHNAZWVUHY-KRWDZBQOSA-N 0 3 372.465 2.615 50 0 FFAAHN COc1ccc(C(=O)NCc2ccc(CN(C)C)cc2)c(OC)c1OC ZINC000008430865 207233479 /nfs/dbraw/zinc/23/34/79/207233479.db2.gz YJPRJIPPIFLNNZ-UHFFFAOYSA-N 0 3 358.438 2.704 50 0 FFAAHN CC(C)[C@@H](C)NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000008735469 207245406 /nfs/dbraw/zinc/24/54/06/207245406.db2.gz ISMGSZNBSXBXKJ-BXUZGUMPSA-N 0 3 357.376 2.927 50 0 FFAAHN COc1cc(C(=O)NCCCN(C)Cc2ccccc2)cc(OC)c1OC ZINC000009982184 207291113 /nfs/dbraw/zinc/29/11/13/207291113.db2.gz VAXMJWBRIGFJNY-UHFFFAOYSA-N 0 3 372.465 2.964 50 0 FFAAHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000010544216 207303021 /nfs/dbraw/zinc/30/30/21/207303021.db2.gz CADDKDYHJUTGIY-QGZVFWFLSA-N 0 3 367.515 2.578 50 0 FFAAHN Cc1ncc(CN2CC[C@]3(C2)CCCN(Cc2ccccc2F)C3=O)n1C ZINC000011935555 207330254 /nfs/dbraw/zinc/33/02/54/207330254.db2.gz DGGOFJGGCRURGP-NRFANRHFSA-N 0 3 370.472 2.882 50 0 FFAAHN CCCC[C@H]1CN(CCC(=O)NCc2cnn(C)c2)Cc2ccccc2O1 ZINC000012183147 207345358 /nfs/dbraw/zinc/34/53/58/207345358.db2.gz WXHUJPPGDQVYHQ-IBGZPJMESA-N 0 3 370.497 2.880 50 0 FFAAHN CN(Cc1ccccc1)C1(C(=O)NCc2nccn2C)Cc2ccccc2C1 ZINC000012317374 207360792 /nfs/dbraw/zinc/36/07/92/207360792.db2.gz FHUFKCZOTCXPIC-UHFFFAOYSA-N 0 3 374.488 2.706 50 0 FFAAHN O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1CC1CC1 ZINC000012331457 207363193 /nfs/dbraw/zinc/36/31/93/207363193.db2.gz BBBAHAUVMPWDTD-CQSZACIVSA-N 0 3 350.846 2.949 50 0 FFAAHN CN(Cc1ccc(Oc2ccccc2)cc1)C[C@]1(O)CCCN(C)C1=O ZINC000012385495 207367954 /nfs/dbraw/zinc/36/79/54/207367954.db2.gz PQHZFJGBJCLWGY-OAQYLSRUSA-N 0 3 354.450 2.894 50 0 FFAAHN COc1cccc(-c2n[nH]c3c2CN(C(=O)[C@@H]2CCCCCN2C)CC3)c1 ZINC000012445026 207378980 /nfs/dbraw/zinc/37/89/80/207378980.db2.gz YMYMOTKNOAAQQB-IBGZPJMESA-N 0 3 368.481 2.844 50 0 FFAAHN Cc1cccc(CNC[C@]2(O)CCCN(Cc3ccccc3F)C2=O)c1 ZINC000012587247 207397920 /nfs/dbraw/zinc/39/79/20/207397920.db2.gz YDNBINNQJZCVRF-OAQYLSRUSA-N 0 3 356.441 2.777 50 0 FFAAHN COc1ccc(NC(=O)NC[C@@H](CN(C)C)[C@H](O)c2ccccc2)cc1 ZINC000032912635 208056945 /nfs/dbraw/zinc/05/69/45/208056945.db2.gz GLYAEXXHNZLCCY-QFBILLFUSA-N 0 3 357.454 2.728 50 0 FFAAHN CCn1nc(C(=O)NCCN2CCCCC2)cc1-c1cccc(OC)c1 ZINC000034901362 208114268 /nfs/dbraw/zinc/11/42/68/208114268.db2.gz BBLHAXPKFZSYEN-UHFFFAOYSA-N 0 3 356.470 2.794 50 0 FFAAHN O[C@@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036095515 208144582 /nfs/dbraw/zinc/14/45/82/208144582.db2.gz QSRPGKYHPZUAQD-MOPGFXCFSA-N 0 3 363.429 2.977 50 0 FFAAHN COCCCN(Cc1cccc(OC)c1)C[C@@H](O)COCc1ccco1 ZINC000036100181 208147222 /nfs/dbraw/zinc/14/72/22/208147222.db2.gz QHMDDBLLUSRVQJ-GOSISDBHSA-N 0 3 363.454 2.704 50 0 FFAAHN COc1nc(C)cc(C)c1CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000067382608 208704575 /nfs/dbraw/zinc/70/45/75/208704575.db2.gz RZTSQONSLQLOJL-GOSISDBHSA-N 0 3 370.497 2.679 50 0 FFAAHN CC1(C)CN(Cc2cccc(Cl)c2)CC[C@@]1(O)CN1CCOCC1 ZINC000091872853 209003025 /nfs/dbraw/zinc/00/30/25/209003025.db2.gz VPRKQUFXDUNYCF-LJQANCHMSA-N 0 3 352.906 2.635 50 0 FFAAHN Cc1nc(C(C)C)sc1C(=O)N1CCCO[C@H](CN2CCCC2)C1 ZINC000091906580 209004642 /nfs/dbraw/zinc/00/46/42/209004642.db2.gz TVPRZSJNLXBKGK-OAHLLOKOSA-N 0 3 351.516 2.902 50 0 FFAAHN CC(C)(CN1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2)N1CCOCC1 ZINC000095353714 209024309 /nfs/dbraw/zinc/02/43/09/209024309.db2.gz AMXIFSHVLDKSHW-LEWJYISDSA-N 0 3 357.542 2.694 50 0 FFAAHN COc1ccc2[nH]c(CNC(=O)[C@@H]3CCCN(Cc4ccco4)C3)nc2c1 ZINC000095355644 209024893 /nfs/dbraw/zinc/02/48/93/209024893.db2.gz JGKXWPBNOMOHAJ-CQSZACIVSA-N 0 3 368.437 2.693 50 0 FFAAHN Cc1nccn1Cc1nnc([C@H]2CCCN(Cc3ccccc3F)C2)n1C ZINC000095364272 209028764 /nfs/dbraw/zinc/02/87/64/209028764.db2.gz LVZIBSZNDDRXCC-KRWDZBQOSA-N 0 3 368.460 2.887 50 0 FFAAHN CSCc1noc(CNC(=O)c2ccc(CN3CCCCC3)cc2)n1 ZINC000095366846 209031003 /nfs/dbraw/zinc/03/10/03/209031003.db2.gz WXOWRCPQHZBPHF-UHFFFAOYSA-N 0 3 360.483 2.849 50 0 FFAAHN CN1CC[C@H]2[C@H](CCCN2C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 ZINC000095452791 209052554 /nfs/dbraw/zinc/05/25/54/209052554.db2.gz YAINDUZPDCUSGM-OCCSQVGLSA-N 0 3 372.391 2.971 50 0 FFAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@@H](C)O)CC1 ZINC000095510409 209069788 /nfs/dbraw/zinc/06/97/88/209069788.db2.gz TXKKGGMXGYFWKR-QGZVFWFLSA-N 0 3 362.514 2.773 50 0 FFAAHN Cc1ccc2nc(C)c(C)c(C(=O)NCCN3CCC(CO)CC3)c2c1 ZINC000095517958 209071185 /nfs/dbraw/zinc/07/11/85/209071185.db2.gz VBPPCQVSQJJIST-UHFFFAOYSA-N 0 3 355.482 2.594 50 0 FFAAHN CNc1nc(C)cc(N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)n1 ZINC000091665210 132202997 /nfs/dbraw/zinc/20/29/97/132202997.db2.gz LRVQSHYBUJOUMF-UHFFFAOYSA-N 0 3 369.517 2.560 50 0 FFAAHN CCn1c(Cn2ccnc2C)nnc1C1CCN(c2ccncc2)CC1 ZINC000091663702 132203121 /nfs/dbraw/zinc/20/31/21/132203121.db2.gz HCFUCDPKPVNSPU-UHFFFAOYSA-N 0 3 351.458 2.630 50 0 FFAAHN CCN1CCN(c2ccc(NC(=O)/C=C\c3cnn(C)c3)cc2C)CC1 ZINC000096925778 132226666 /nfs/dbraw/zinc/22/66/66/132226666.db2.gz ACXMAKKJZCFHRV-YVMONPNESA-N 0 3 353.470 2.522 50 0 FFAAHN CCc1cc(N2CCC([C@H](C)N3CCOCC3)CC2)n2nc(C)c(C)c2n1 ZINC000072425625 136146394 /nfs/dbraw/zinc/14/63/94/136146394.db2.gz SROAJYAOLHIUSG-KRWDZBQOSA-N 0 3 371.529 2.846 50 0 FFAAHN CN(C)c1ccccc1-c1cccc(C(=O)NC2CCN(CCO)CC2)c1 ZINC000426690492 263658243 /nfs/dbraw/zinc/65/82/43/263658243.db2.gz ASDWTILZUDOWKL-UHFFFAOYSA-N 0 3 367.493 2.606 50 0 FFAAHN COC(=O)C1CCN(C(=O)CN(C)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000052798820 506251890 /nfs/dbraw/zinc/25/18/90/506251890.db2.gz PGLSCGPJGOFNDB-UHFFFAOYSA-N 0 3 362.514 2.546 50 0 FFAAHN O=C(NCc1ccncc1)c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1 ZINC000065256073 506277567 /nfs/dbraw/zinc/27/75/67/506277567.db2.gz NYIOGELLPDYEHH-HXUWFJFHSA-N 0 3 373.460 2.558 50 0 FFAAHN O=C(NC1CC1)c1ccc(N2CC[C@@H](NCc3ccc(F)c(F)c3)C2)nc1 ZINC000065256965 506277728 /nfs/dbraw/zinc/27/77/28/506277728.db2.gz RUCKNMUPEGWDPI-MRXNPFEDSA-N 0 3 372.419 2.621 50 0 FFAAHN Cc1ccccc1NC(=O)NCCNc1cc(N2CCCC2)nc(C)n1 ZINC000065365356 506289044 /nfs/dbraw/zinc/28/90/44/506289044.db2.gz ADPDAOXOXHKXLR-UHFFFAOYSA-N 0 3 354.458 2.927 50 0 FFAAHN CC(=O)NCCCc1nc(CCc2ccccc2)nn1-c1ccnc(C)c1 ZINC000065409872 506295157 /nfs/dbraw/zinc/29/51/57/506295157.db2.gz ONIHMEKDPIOVIR-UHFFFAOYSA-N 0 3 363.465 2.825 50 0 FFAAHN CCn1nc(C)c(NC(=O)CNCc2ccccc2-n2ccnc2C)c1C ZINC000065463970 506304687 /nfs/dbraw/zinc/30/46/87/506304687.db2.gz FVCIJHGULNDGJR-UHFFFAOYSA-N 0 3 366.469 2.742 50 0 FFAAHN CN1CCC[C@H]1CNC(=O)CCCOc1cccc(Br)c1 ZINC000065590736 506329237 /nfs/dbraw/zinc/32/92/37/506329237.db2.gz RAIUBGFOIJZJGW-AWEZNQCLSA-N 0 3 355.276 2.819 50 0 FFAAHN COc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccccc4)C3=O)c2c1 ZINC000004090825 506358838 /nfs/dbraw/zinc/35/88/38/506358838.db2.gz WRBSYGJAGIIMKC-IBGZPJMESA-N 0 3 363.417 2.641 50 0 biogenic FFAAHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2CCN(C(=O)C3CC3)CC2)C1 ZINC000054226940 506517141 /nfs/dbraw/zinc/51/71/41/506517141.db2.gz QNVMJSAATSRWSN-JXFKEZNVSA-N 0 3 369.509 2.587 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)CCCc1nc(-c2ccccc2C)no1 ZINC000055325027 506728429 /nfs/dbraw/zinc/72/84/29/506728429.db2.gz APGSNBLJFNMAFN-INIZCTEOSA-N 0 3 356.470 2.968 50 0 FFAAHN CC[C@H](CO)N(Cc1ccsc1)Cc1cn(CC(N)=O)c2ccccc12 ZINC000055344201 506732298 /nfs/dbraw/zinc/73/22/98/506732298.db2.gz LDEFQKQGXFLEBY-QGZVFWFLSA-N 0 3 371.506 2.961 50 0 FFAAHN CCOC(=O)[C@H]1CCCN(C[C@H](O)COC23CC4CC(CC(C4)C2)C3)C1 ZINC000010434687 506742284 /nfs/dbraw/zinc/74/22/84/506742284.db2.gz UTVHFJMPJPDOLN-VQIYKNCMSA-N 0 3 365.514 2.608 50 0 FFAAHN O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccccc2)CC1 ZINC000012543116 506875909 /nfs/dbraw/zinc/87/59/09/506875909.db2.gz NTZGJPKDNJJWLR-UHFFFAOYSA-N 0 3 363.461 2.885 50 0 FFAAHN CN(C)CCNC(=O)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000013722966 506953285 /nfs/dbraw/zinc/95/32/85/506953285.db2.gz QHRHMOUVXZDJJV-UHFFFAOYSA-N 0 3 368.462 2.580 50 0 FFAAHN CCc1ccc([C@H](CNC(=O)c2n[nH]c(=O)c3ccccc32)N(C)C)cc1 ZINC000014072581 506963971 /nfs/dbraw/zinc/96/39/71/506963971.db2.gz FPQMMESNZOFAST-SFHVURJKSA-N 0 3 364.449 2.518 50 0 FFAAHN NC(=O)NC(=O)CCN1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000014158778 506973315 /nfs/dbraw/zinc/97/33/15/506973315.db2.gz GNRXOYODUHBTNO-UHFFFAOYSA-N 0 3 366.874 2.714 50 0 FFAAHN CC(C)CN1C(=O)N(C)C(=O)C12CCN(Cc1cc(F)cc(F)c1)CC2 ZINC000014531939 506994459 /nfs/dbraw/zinc/99/44/59/506994459.db2.gz YRECXOZWTCBNHW-UHFFFAOYSA-N 0 3 365.424 2.849 50 0 FFAAHN CN(C[C@]1(C)CCN(C)C1)C(=O)c1cc(COc2ccccc2F)[nH]n1 ZINC000067757946 506998855 /nfs/dbraw/zinc/99/88/55/506998855.db2.gz LHBNPQFIBOARKH-LJQANCHMSA-N 0 3 360.433 2.542 50 0 FFAAHN O=C(NC1CCCC1)c1cn([C@@H]2CCCN(Cc3cccs3)C2)nn1 ZINC000015070049 507015158 /nfs/dbraw/zinc/01/51/58/507015158.db2.gz VYARNECLBCIGED-OAHLLOKOSA-N 0 3 359.499 2.849 50 0 FFAAHN Cc1cc(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3F)C2)nn1C ZINC000015076725 507018576 /nfs/dbraw/zinc/01/85/76/507018576.db2.gz KHULDTRTOFCTTF-QGZVFWFLSA-N 0 3 372.488 2.894 50 0 FFAAHN O=C1CCCN1CC[C@@H]1CCCCN1Cc1cc2ccccc2[nH]c1=O ZINC000067868565 507031286 /nfs/dbraw/zinc/03/12/86/507031286.db2.gz IRRTVOKSTZCQFU-SFHVURJKSA-N 0 3 353.466 2.895 50 0 FFAAHN COc1ccc2[nH]c(=O)c(CN3CC[C@H](n4nc(C)cc4C)C3)cc2c1 ZINC000067881304 507036114 /nfs/dbraw/zinc/03/61/14/507036114.db2.gz UZTWBGMMKXRDHG-KRWDZBQOSA-N 0 3 352.438 2.797 50 0 FFAAHN O=C1c2cccc3c(N4CC[NH2+]CC4)ccc(c23)C(=O)N1c1ccccc1[O-] ZINC000016450281 507091101 /nfs/dbraw/zinc/09/11/01/507091101.db2.gz PQTWKBBMKLBMRO-UHFFFAOYSA-N 0 3 373.412 2.756 50 0 FFAAHN COc1ccc(CNC[C@H](O)c2cccc(O)c2)cc1Br ZINC000057354891 507244535 /nfs/dbraw/zinc/24/45/35/507244535.db2.gz DMMYCBJHILDHHL-HNNXBMFYSA-N 0 3 352.228 2.987 50 0 FFAAHN Cc1ccc(OCC(=O)NCC2CCN(Cc3ccccn3)CC2)cc1 ZINC000023016498 507324344 /nfs/dbraw/zinc/32/43/44/507324344.db2.gz LROYVAVRPQZLGD-UHFFFAOYSA-N 0 3 353.466 2.797 50 0 FFAAHN COc1ccccc1OCC(=O)NCC1CCN(Cc2ccco2)CC1 ZINC000023128040 507331400 /nfs/dbraw/zinc/33/14/00/507331400.db2.gz MXKDVMHRVZJHKO-UHFFFAOYSA-N 0 3 358.438 2.695 50 0 FFAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCN(C(C)C)[C@@H](CCO)C1 ZINC000023358840 507346577 /nfs/dbraw/zinc/34/65/77/507346577.db2.gz IQUWILPSKDPGRH-FQEVSTJZSA-N 0 3 374.504 2.905 50 0 FFAAHN CC(=O)NCc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000023739614 507369534 /nfs/dbraw/zinc/36/95/34/507369534.db2.gz JZZCINQVWNNJKT-NRFANRHFSA-N 0 3 365.477 2.890 50 0 FFAAHN CC[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)NC1CCN(C(C)=O)CC1 ZINC000058200856 507384224 /nfs/dbraw/zinc/38/42/24/507384224.db2.gz CVVWFBYFZLCJHJ-SFTDATJTSA-N 0 3 371.525 2.772 50 0 FFAAHN Cc1ccc(CN(CCN(C)C)C(=O)CSc2nc(C)cc(C)n2)o1 ZINC000058226038 507390027 /nfs/dbraw/zinc/39/00/27/507390027.db2.gz ZMEAZRNZAZMUBN-UHFFFAOYSA-N 0 3 362.499 2.677 50 0 FFAAHN Cc1ccc([C@H](CNC(=O)[C@H](C)NC(=O)c2ccco2)N2CCCC2)cc1 ZINC000058430923 507418784 /nfs/dbraw/zinc/41/87/84/507418784.db2.gz DWROLBSPKPHPIC-WMZOPIPTSA-N 0 3 369.465 2.660 50 0 FFAAHN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000025421109 507498899 /nfs/dbraw/zinc/49/88/99/507498899.db2.gz RDZHFKVNWUJSMJ-FUHWJXTLSA-N 0 3 373.522 2.922 50 0 FFAAHN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000069950912 507591284 /nfs/dbraw/zinc/59/12/84/507591284.db2.gz RYBPSYSKGMOLRV-MRXNPFEDSA-N 0 3 353.422 2.704 50 0 FFAAHN Cc1noc(C)c1CS(=O)(=O)C(C)C(=O)NC[C@H](C)c1ccccc1 ZINC000061781397 507639319 /nfs/dbraw/zinc/63/93/19/507639319.db2.gz DXGIUDVSWIIBQE-SWLSCSKDSA-N 0 3 364.467 2.515 50 0 FFAAHN CN(C)[C@@H](CNC(=O)c1cccc(N2CCCC2=O)c1)Cc1ccccc1 ZINC000027585691 507668296 /nfs/dbraw/zinc/66/82/96/507668296.db2.gz MPKQAMZDQAIOCM-HXUWFJFHSA-N 0 3 365.477 2.716 50 0 FFAAHN COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318336 507760969 /nfs/dbraw/zinc/76/09/69/507760969.db2.gz RUCYBXCUZNINAX-GOSISDBHSA-N 0 3 357.454 2.652 50 0 FFAAHN O[C@@H]1Cc2ccccc2C12CCN(Cc1cnc(-c3ccccn3)nc1)CC2 ZINC000072153348 507761991 /nfs/dbraw/zinc/76/19/91/507761991.db2.gz IBRICEGHLISIEV-OAQYLSRUSA-N 0 3 372.472 2.989 50 0 FFAAHN CCn1cc(CN2C[C@H](c3ccccc3OC)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072154220 507763404 /nfs/dbraw/zinc/76/34/04/507763404.db2.gz GJTTUCUMJSCBLG-CEMLEFRQSA-N 0 3 366.509 2.974 50 0 FFAAHN c1c(CN2CCC[C@H](c3nc4ccccc4s3)C2)nn2c1CNCC2 ZINC000072157413 507763743 /nfs/dbraw/zinc/76/37/43/507763743.db2.gz JCILESXWFOFKSJ-AWEZNQCLSA-N 0 3 353.495 2.976 50 0 FFAAHN COc1ccccc1CN1CCC[C@H](c2nnc(CN3CCCC3)n2C)C1 ZINC000072407744 507784407 /nfs/dbraw/zinc/78/44/07/507784407.db2.gz IPZZIOUULXPXSZ-SFHVURJKSA-N 0 3 369.513 2.799 50 0 FFAAHN O=C(CCc1cc2n(n1)CCCNC2)NCc1ccc2sccc2c1 ZINC000072417809 507786244 /nfs/dbraw/zinc/78/62/44/507786244.db2.gz OHVGKJSEJQHWMZ-UHFFFAOYSA-N 0 3 354.479 2.840 50 0 FFAAHN CCc1ccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]cn3)C2)o1 ZINC000072426190 507788603 /nfs/dbraw/zinc/78/86/03/507788603.db2.gz NPCOJXDNRCPACJ-HNAYVOBHSA-N 0 3 356.470 2.621 50 0 FFAAHN CCc1ccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cnc[nH]3)C2)o1 ZINC000072426190 507788604 /nfs/dbraw/zinc/78/86/04/507788604.db2.gz NPCOJXDNRCPACJ-HNAYVOBHSA-N 0 3 356.470 2.621 50 0 FFAAHN O=C(c1cnn2ccccc12)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072467992 507794423 /nfs/dbraw/zinc/79/44/23/507794423.db2.gz HZARHHLYCUEFEA-UHFFFAOYSA-N 0 3 360.461 2.997 50 0 FFAAHN NS(=O)(=O)c1ccc(OCCN2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000052455252 507809749 /nfs/dbraw/zinc/80/97/49/507809749.db2.gz IXZWITCQGZKACW-SFHVURJKSA-N 0 3 364.442 2.689 50 0 FFAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1ccn(CCN(C)C)n1 ZINC000079093401 507932191 /nfs/dbraw/zinc/93/21/91/507932191.db2.gz FQGQNAWUXPXNPV-UHFFFAOYSA-N 0 3 356.449 2.998 50 0 FFAAHN O=C1NCCC[C@@]12CCN(Cc1cnc(-c3ccc(Cl)cc3)nc1)C2 ZINC000091575546 507993383 /nfs/dbraw/zinc/99/33/83/507993383.db2.gz XZHBMEXCGQVQTA-IBGZPJMESA-N 0 3 356.857 2.899 50 0 FFAAHN Cc1ocnc1C(=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 ZINC000091691535 508002883 /nfs/dbraw/zinc/00/28/83/508002883.db2.gz KEELQBGMOMLQOI-MAUKXSAKSA-N 0 3 351.450 2.687 50 0 FFAAHN CN(C)C[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000075582567 508119534 /nfs/dbraw/zinc/11/95/34/508119534.db2.gz MTYWGOHXUWUAHM-AWEZNQCLSA-N 0 3 366.893 2.735 50 0 FFAAHN CC(C)(C)n1cc(CN[C@H]2CCc3nnc(Cc4ccccc4)n3C2)cn1 ZINC000096000244 508201665 /nfs/dbraw/zinc/20/16/65/508201665.db2.gz GHIWCNCDSNLTSY-SFHVURJKSA-N 0 3 364.497 2.925 50 0 FFAAHN CN(C)CCN(Cc1cc(=O)c2cccc(Cl)c2[nH]1)C[C@@H]1CCCO1 ZINC000077319190 508299919 /nfs/dbraw/zinc/29/99/19/508299919.db2.gz PTEUVAOLQDQZFH-HNNXBMFYSA-N 0 3 363.889 2.724 50 0 FFAAHN COc1cccc(F)c1C(=O)N(Cc1cccnc1)C1CCN(C)CC1 ZINC000077386016 508308616 /nfs/dbraw/zinc/30/86/16/508308616.db2.gz NPBYRBNJQCHMBR-UHFFFAOYSA-N 0 3 357.429 2.966 50 0 FFAAHN COc1cc(CN2CCN(C(C)C)[C@H](CCO)C2)cc(Cl)c1OC ZINC000104361735 508332817 /nfs/dbraw/zinc/33/28/17/508332817.db2.gz LVZLXUPSEJQPIZ-OAHLLOKOSA-N 0 3 356.894 2.634 50 0 FFAAHN CCC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000106137226 508396194 /nfs/dbraw/zinc/39/61/94/508396194.db2.gz XKDSAAUISNBUBV-NEWSRXKRSA-N 0 3 357.498 2.587 50 0 FFAAHN NC(=O)COc1ccc(CN2CCC3(CCOCC3)CC2)cc1Cl ZINC000216409044 509260673 /nfs/dbraw/zinc/26/06/73/509260673.db2.gz PCINFOHTGSXWCP-UHFFFAOYSA-N 0 3 352.862 2.597 50 0 FFAAHN CN1CCC(N(Cc2cn(-c3ccccc3)nn2)Cc2ccncc2)CC1 ZINC000216443957 509262858 /nfs/dbraw/zinc/26/28/58/509262858.db2.gz RPMXECACZURLLQ-UHFFFAOYSA-N 0 3 362.481 2.759 50 0 FFAAHN O=C(c1cccs1)N1CCC(N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)CC1 ZINC000223174362 509331873 /nfs/dbraw/zinc/33/18/73/509331873.db2.gz VYDBZTMQIRMLDF-QOKNQOGYSA-N 0 3 371.506 2.850 50 0 FFAAHN CCc1ccc(S(=O)(=O)NCC2CCN([C@@H]3CCSC3)CC2)s1 ZINC000225572692 509377904 /nfs/dbraw/zinc/37/79/04/509377904.db2.gz LGTSPZFAGRVEJO-CQSZACIVSA-N 0 3 374.597 2.806 50 0 FFAAHN COCCN1CCN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000170601584 509678250 /nfs/dbraw/zinc/67/82/50/509678250.db2.gz VAVVTFSAIJFJLS-ROUUACIJSA-N 0 3 369.550 2.676 50 0 FFAAHN Cc1nc(CN2CCC(CNC(=O)c3cccc(CN)c3)CC2)cs1 ZINC000252498577 509843891 /nfs/dbraw/zinc/84/38/91/509843891.db2.gz RFFHLSMMPUQTKZ-UHFFFAOYSA-N 0 3 358.511 2.552 50 0 FFAAHN c1cn(Cc2ccccc2)c(CN2CCN(C3CCSCC3)CC2)n1 ZINC000244626746 509861577 /nfs/dbraw/zinc/86/15/77/509861577.db2.gz FRSCXKUPZNRWOT-UHFFFAOYSA-N 0 3 356.539 2.945 50 0 FFAAHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000190437072 510131226 /nfs/dbraw/zinc/13/12/26/510131226.db2.gz CZZBKGFFDQPDGU-MRXNPFEDSA-N 0 3 368.437 2.796 50 0 FFAAHN CCc1nnc(C2CCN(C(=O)[C@H]3CCCN3Cc3ccccc3)CC2)[nH]1 ZINC000191503718 510692401 /nfs/dbraw/zinc/69/24/01/510692401.db2.gz FCASUZLAOPGBCD-GOSISDBHSA-N 0 3 367.497 2.738 50 0 FFAAHN Cc1ccc(C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)nn1 ZINC000334017995 511426404 /nfs/dbraw/zinc/42/64/04/511426404.db2.gz BWOBWRUNOZRCEH-QGZVFWFLSA-N 0 3 352.438 2.503 50 0 FFAAHN CO[C@]12CCN(Cc3cnc(-c4cccc(C)c4)nc3)[C@H]1C[C@H](O)CC2 ZINC000299757975 511669699 /nfs/dbraw/zinc/66/96/99/511669699.db2.gz JDZPHZFQNOUULJ-SVFBPWRDSA-N 0 3 353.466 2.956 50 0 FFAAHN CO[C@]12CCN(Cc3ccc(CO)o3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000299762558 511672018 /nfs/dbraw/zinc/67/20/18/511672018.db2.gz NMVJOVKCVOEIGF-ZAAXVRCTSA-N 0 3 358.438 2.758 50 0 FFAAHN CN(C)CCN1C(=O)CC[C@@H]1CCNC(=O)c1c(Cl)cccc1Cl ZINC000299788663 511680482 /nfs/dbraw/zinc/68/04/82/511680482.db2.gz ZGDDBWIVASPYBF-GFCCVEGCSA-N 0 3 372.296 2.666 50 0 FFAAHN CN1CCOC[C@H](CNC(=O)Nc2ccccc2CCc2ccccn2)C1 ZINC000299785892 511681223 /nfs/dbraw/zinc/68/12/23/511681223.db2.gz KXLGIASSRFBDBJ-QGZVFWFLSA-N 0 3 368.481 2.567 50 0 FFAAHN CCN1CCCC[C@H]1C(=O)NC1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC000299791811 511682968 /nfs/dbraw/zinc/68/29/68/511682968.db2.gz FZRMOUWBVSJFDG-IBGZPJMESA-N 0 3 365.468 2.920 50 0 FFAAHN CN(Cc1nc(C2CC2)no1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000426386926 513923367 /nfs/dbraw/zinc/92/33/67/513923367.db2.gz PRIKDNIRBXBTDU-UHFFFAOYSA-N 0 3 369.469 2.753 50 0 FFAAHN Cn1ccnc1-c1ccc(C(=O)N2CCC(N3CCSCC3)CC2)cc1 ZINC000426405751 513930258 /nfs/dbraw/zinc/93/02/58/513930258.db2.gz QKZAFWWLRFDUFH-UHFFFAOYSA-N 0 3 370.522 2.741 50 0 FFAAHN CN(C)CCN(CCO)C(=O)c1ccc(-c2cnc3ccccc3c2)cc1 ZINC000426503883 513961834 /nfs/dbraw/zinc/96/18/34/513961834.db2.gz ANGNHWFFNZEITG-UHFFFAOYSA-N 0 3 363.461 2.898 50 0 FFAAHN OCCn1ccc([C@H]2CCCN(Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000426503459 513961954 /nfs/dbraw/zinc/96/19/54/513961954.db2.gz HCGIXCRQIPUGGG-IBGZPJMESA-N 0 3 363.465 2.712 50 0 FFAAHN Cc1ccc(CN(CCN(C)C)C(=O)NCc2noc(C(C)C)n2)cc1 ZINC000426690266 514016099 /nfs/dbraw/zinc/01/60/99/514016099.db2.gz IVORAOPMFQRRHL-UHFFFAOYSA-N 0 3 359.474 2.775 50 0 FFAAHN CCOC(=O)c1ccc(-c2ccc(CNCCN3CCOCC3)o2)cc1 ZINC000020169030 521459549 /nfs/dbraw/zinc/45/95/49/521459549.db2.gz OREHKALJTXODEH-UHFFFAOYSA-N 0 3 358.438 2.545 50 0 FFAAHN CCCc1oncc1C(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 ZINC000082140077 521612166 /nfs/dbraw/zinc/61/21/66/521612166.db2.gz HEUNXMNZBWPSSO-UHFFFAOYSA-N 0 3 359.474 2.615 50 0 FFAAHN C[C@H]1CN(C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000019939374 524572007 /nfs/dbraw/zinc/57/20/07/524572007.db2.gz UYCQSPPQIKEXDZ-GJZGRUSLSA-N 0 3 366.889 2.819 50 0 FFAAHN COc1ccc2c(c1)OC[C@H](CNC(=O)C1(N3CCCC3)CCCC1)C2 ZINC000091594404 525567334 /nfs/dbraw/zinc/56/73/34/525567334.db2.gz YHUJQOQBQROABO-INIZCTEOSA-N 0 3 358.482 2.771 50 0 FFAAHN O=C(c1ccc([C@@H]2CCCN2CCCn2cccn2)s1)N1CCOCC1 ZINC000020909381 526712450 /nfs/dbraw/zinc/71/24/50/526712450.db2.gz CBNOLASYAULBQZ-INIZCTEOSA-N 0 3 374.510 2.644 50 0 FFAAHN O=C1CC[C@]2(CCCN(Cc3cccc(F)c3)C2)CN1CCc1c[nH]cn1 ZINC000082148045 526998152 /nfs/dbraw/zinc/99/81/52/526998152.db2.gz GTRQCNGJVJGNST-NRFANRHFSA-N 0 3 370.472 2.996 50 0 FFAAHN O=C1CC[C@]2(CCCN(Cc3cccc(F)c3)C2)CN1CCc1cnc[nH]1 ZINC000082148045 526998156 /nfs/dbraw/zinc/99/81/56/526998156.db2.gz GTRQCNGJVJGNST-NRFANRHFSA-N 0 3 370.472 2.996 50 0 FFAAHN CCOC(=O)Cc1ccc(NC(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000095502914 535748937 /nfs/dbraw/zinc/74/89/37/535748937.db2.gz UKFWGUDCYFJIAE-UHFFFAOYSA-N 0 3 368.437 2.541 50 0 FFAAHN COc1cc(CNC[C@H]2CN(C)CCO2)c(-c2ccccc2)cc1OC ZINC000105471353 570872883 /nfs/dbraw/zinc/87/28/83/570872883.db2.gz LKHYCZXFLXKWPO-SFHVURJKSA-N 0 3 356.466 2.791 50 0 FFAAHN CN(CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1CCSC1 ZINC000107538935 570897332 /nfs/dbraw/zinc/89/73/32/570897332.db2.gz SYHVNWRHBHYFLL-HOTGVXAUSA-N 0 3 367.584 2.514 50 0 FFAAHN COc1cc(CN(C)C)cc(OC)c1-c1cn(C)c(=O)c2cnccc21 ZINC000575598586 571162948 /nfs/dbraw/zinc/16/29/48/571162948.db2.gz YJQYNVIHEGBSHB-UHFFFAOYSA-N 0 3 353.422 2.679 50 0 in-vitro FFAAHN Cc1nccn1CCCC(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 ZINC000072146218 571173399 /nfs/dbraw/zinc/17/33/99/571173399.db2.gz XDZAFVKOCHPKPC-NRFANRHFSA-N 0 3 366.509 2.673 50 0 FFAAHN O=C(NCCc1cscn1)C1(N2CCCCC2)Cc2ccccc2C1 ZINC000012302250 845022970 /nfs/dbraw/zinc/02/29/70/845022970.db2.gz FPQRBCIWOXQBJZ-UHFFFAOYSA-N 0 3 355.507 2.825 50 0 FFAAHN COc1ccc(C(=O)N(CCN2CCCCC2)C2CCOCC2)cc1F ZINC000675023119 971503229 /nfs/dbraw/zinc/50/32/29/971503229.db2.gz YGKZTURJJNLYAV-UHFFFAOYSA-N 0 3 364.461 2.941 50 0 FFAAHN CCn1ncc(CN2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)c1C ZINC000011813556 987447173 /nfs/dbraw/zinc/44/71/73/987447173.db2.gz AQMABLPVWXXHAO-INIZCTEOSA-N 0 3 358.461 2.993 50 0 FFAAHN Cc1cc2c(cc1CN[C@@H]1CC(=O)N(Cc3cccc(F)c3)C1)OCO2 ZINC000012710580 988370541 /nfs/dbraw/zinc/37/05/41/988370541.db2.gz XUSWMGNGIXFEHP-QGZVFWFLSA-N 0 3 356.397 2.754 50 0 FFAAHN c1ccc(C23CN4CC(CN(C2)CC4)[C@H]3Nc2ncnc3ccccc32)cc1 ZINC000952969245 1011015673 /nfs/dbraw/zinc/01/56/73/1011015673.db2.gz SSGXHAQBRJPMCL-VSZUSUSQSA-N 0 3 371.488 2.609 50 0 FFAAHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000124075155 1012428967 /nfs/dbraw/zinc/42/89/67/1012428967.db2.gz JETDMXYLFPFICU-UHFFFAOYSA-N 0 3 367.449 2.901 50 0 FFAAHN CN(C)C(=O)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccncc2)C1 ZINC000014538335 1021654781 /nfs/dbraw/zinc/65/47/81/1021654781.db2.gz SALLKEVHOOHNCU-ZWKOTPCHSA-N 0 3 371.456 2.826 50 0 FFAAHN O=c1cc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)[nH]c2ccccc12 ZINC000020295389 1022564441 /nfs/dbraw/zinc/56/44/41/1022564441.db2.gz JQLZRTLLPDYNPJ-LJQANCHMSA-N 0 3 369.509 2.729 50 0 FFAAHN CCn1ncc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)c1C ZINC000039420790 1022777022 /nfs/dbraw/zinc/77/70/22/1022777022.db2.gz UFMIAFHYDFOVLY-JOCHJYFZSA-N 0 3 370.541 2.713 50 0 FFAAHN C[C@@H]1C[C@H]1c1noc(CC2CCN(C(=O)C3(N)CC4(CCC4)C3)CC2)n1 ZINC000659328026 1026006475 /nfs/dbraw/zinc/00/64/75/1026006475.db2.gz IVYHOHHVEWGHCQ-UKRRQHHQSA-N 0 3 358.486 2.636 50 0 FFAAHN OC[C@H]1CN(Cc2ccsc2)CCC12CCN(Cc1ncc[nH]1)CC2 ZINC000097347520 209179031 /nfs/dbraw/zinc/17/90/31/209179031.db2.gz NSNOKIUANUENQI-QGZVFWFLSA-N 0 3 360.527 2.568 50 0 FFAAHN COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H]2CCCCCN2C)C3)cc1 ZINC000096153901 209126406 /nfs/dbraw/zinc/12/64/06/209126406.db2.gz VVRJABBYRFPCHX-IBGZPJMESA-N 0 3 368.481 2.844 50 0 FFAAHN COc1ccc(-c2nc3c([nH]2)CN(C(=O)[C@@H]2CCCCCN2C)CC3)cc1 ZINC000096153901 209126408 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CCN(CC)CCn1cnc2c(c(C)c(C)n2Cc2cccnc2)c1=N ZINC000006661900 207153197 /nfs/dbraw/zinc/15/31/97/207153197.db2.gz ZZAAIGKITXOUNU-UHFFFAOYSA-N 0 3 352.486 2.719 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000006817619 207168482 /nfs/dbraw/zinc/16/84/82/207168482.db2.gz PFDCWDCECDHNEA-ZDUSSCGKSA-N 0 3 356.495 2.907 50 0 FFAAHN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)NCCN3CCCC3)c12 ZINC000006772738 207164100 /nfs/dbraw/zinc/16/41/00/207164100.db2.gz JSAIHYGVIYCHHO-UHFFFAOYSA-N 0 3 363.465 2.863 50 0 FFAAHN CN(C)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CS2)Cc1ccccc1 ZINC000009447456 207271019 /nfs/dbraw/zinc/27/10/19/207271019.db2.gz CAGWAMNVGPALRR-MRXNPFEDSA-N 0 3 369.490 2.634 50 0 FFAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCOC ZINC000011878384 207326988 /nfs/dbraw/zinc/32/69/88/207326988.db2.gz LUYBGXYPSLDHME-LJQANCHMSA-N 0 3 362.514 2.835 50 0 FFAAHN O=C1NCCN1CCNCc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000012305384 207358437 /nfs/dbraw/zinc/35/84/37/207358437.db2.gz 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208128615 /nfs/dbraw/zinc/12/86/15/208128615.db2.gz LKTYGQHBDBQSKK-UHFFFAOYSA-N 0 3 358.486 2.533 50 0 FFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ncn(-c2ccccc2)n1 ZINC000034910373 208115263 /nfs/dbraw/zinc/11/52/63/208115263.db2.gz QOCOBTSNRDBOFQ-UHFFFAOYSA-N 0 3 361.449 2.662 50 0 FFAAHN COCCCN(Cc1ccc(OC)c(OC)c1)C[C@H](O)COCC(C)C ZINC000036095926 208145445 /nfs/dbraw/zinc/14/54/45/208145445.db2.gz UXNDGRDREIZWMF-SFHVURJKSA-N 0 3 369.502 2.576 50 0 FFAAHN CCN(C[C@H](O)COCC(C)C)C[C@H]1CC(c2ccc(OC)cc2)=NO1 ZINC000036146201 208148490 /nfs/dbraw/zinc/14/84/90/208148490.db2.gz AOTABTQPJOLIPQ-PKOBYXMFSA-N 0 3 364.486 2.544 50 0 FFAAHN COc1ccc(OC)c(CN2CCN(C3CCCCC3)[C@H](CCO)C2)c1 ZINC000039518242 208210131 /nfs/dbraw/zinc/21/01/31/208210131.db2.gz KNDNOMIMQSHFCQ-LJQANCHMSA-N 0 3 362.514 2.905 50 0 FFAAHN CC1CCN(CCNC(=O)c2ccc(I)cc2)CC1 ZINC000040108061 208229767 /nfs/dbraw/zinc/22/97/67/208229767.db2.gz FJZCKZTUVLAHGH-UHFFFAOYSA-N 0 3 372.250 2.753 50 0 FFAAHN Cc1ccccc1C(=O)Nc1nc(C(=O)NC2CCN(C)CC2)cs1 ZINC000040355428 208247420 /nfs/dbraw/zinc/24/74/20/208247420.db2.gz BPKJVKPZCSKJGT-UHFFFAOYSA-N 0 3 358.467 2.528 50 0 FFAAHN CCN1CCN(CCCCNC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000042959716 208298882 /nfs/dbraw/zinc/29/88/82/208298882.db2.gz HZXHOMBUWYVREQ-HXUWFJFHSA-N 0 3 358.530 2.781 50 0 FFAAHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNC[C@@H]1CCS(=O)(=O)C1 ZINC000048709551 208408078 /nfs/dbraw/zinc/40/80/78/208408078.db2.gz XXJFJXVKNBGXMX-AWEZNQCLSA-N 0 3 367.902 2.667 50 0 FFAAHN CCN(CC)[C@H](CNC(=O)c1ccnc(-n2cncn2)c1)c1ccsc1 ZINC000054706035 208459771 /nfs/dbraw/zinc/45/97/71/208459771.db2.gz OPQDQQWDYMMLMA-MRXNPFEDSA-N 0 3 370.482 2.537 50 0 FFAAHN COc1ccc(CNC(=O)N(Cc2ccncc2)C2CCN(C)CC2)cc1 ZINC000072156067 208813179 /nfs/dbraw/zinc/81/31/79/208813179.db2.gz OOVOKRQRGBYTJO-UHFFFAOYSA-N 0 3 368.481 2.896 50 0 FFAAHN CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc3c([nH]c1=O)CCCC3)C2 ZINC000091915420 209006171 /nfs/dbraw/zinc/00/61/71/209006171.db2.gz IFTKCBNCHFWDDR-SJLPKXTDSA-N 0 3 369.509 2.756 50 0 FFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccccc2N(C)C)C1 ZINC000095357848 209026905 /nfs/dbraw/zinc/02/69/05/209026905.db2.gz ZZSREIHSZXWZKK-KRWDZBQOSA-N 0 3 369.513 2.531 50 0 FFAAHN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)NCc1ccc(Cl)cc1)C2 ZINC000092065075 209014751 /nfs/dbraw/zinc/01/47/51/209014751.db2.gz PNEVOUHYWRJNKS-NVXWUHKLSA-N 0 3 351.878 2.592 50 0 FFAAHN O=C(NCCc1nc2ccccc2[nH]1)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095386712 209044680 /nfs/dbraw/zinc/04/46/80/209044680.db2.gz DXPZOPMQLVNTSL-HNNXBMFYSA-N 0 3 352.438 2.727 50 0 FFAAHN COc1cccc([C@H]2CN(c3nccnc3C)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095368245 209032680 /nfs/dbraw/zinc/03/26/80/209032680.db2.gz MJDGLPHOBGRRHH-VAMGGRTRSA-N 0 3 350.466 2.860 50 0 FFAAHN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)COc1ccc(Cl)cc1C)C2 ZINC000095375383 209036060 /nfs/dbraw/zinc/03/60/60/209036060.db2.gz HHOTWQBAFCGEKT-NVXWUHKLSA-N 0 3 366.889 2.596 50 0 FFAAHN Cc1nc(-c2cnn(C)c2)sc1C(=O)NCc1cccc(CN(C)C)c1 ZINC000095397566 209047321 /nfs/dbraw/zinc/04/73/21/209047321.db2.gz 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CCN1CCC[C@H]1CNC(=O)[C@H](NC(=O)C1CCC(C)CC1)C(C)C ZINC000003895710 506352256 /nfs/dbraw/zinc/35/22/56/506352256.db2.gz FDJRHCIWWPNQCN-ZGUYJTEBSA-N 0 3 351.535 2.554 50 0 FFAAHN CCN1CCC[C@@H](OC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)C1 ZINC000006787048 506506611 /nfs/dbraw/zinc/50/66/11/506506611.db2.gz WXCPMYVAXVXIOM-MRXNPFEDSA-N 0 3 369.465 2.764 50 0 FFAAHN O=C(CCN1CCCN(c2nccs2)CC1)NCC1CCCCC1 ZINC000066872779 506678154 /nfs/dbraw/zinc/67/81/54/506678154.db2.gz COJIPAKHNXVTOF-UHFFFAOYSA-N 0 3 350.532 2.742 50 0 FFAAHN N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccccc1OCCCc1ccccc1 ZINC000055359939 506736179 /nfs/dbraw/zinc/73/61/79/506736179.db2.gz AQUBJSHJGVBOKC-SFHVURJKSA-N 0 3 364.449 2.930 50 0 FFAAHN N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccccc1OCCCc1ccccc1 ZINC000055359939 506736183 /nfs/dbraw/zinc/73/61/83/506736183.db2.gz AQUBJSHJGVBOKC-SFHVURJKSA-N 0 3 364.449 2.930 50 0 FFAAHN Fc1ccc(-n2cccn2)c(CN[C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000011818766 506796736 /nfs/dbraw/zinc/79/67/36/506796736.db2.gz 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/nfs/dbraw/zinc/94/96/52/506949652.db2.gz QBQZFJPRXGELTH-UHFFFAOYSA-N 0 3 360.907 2.749 50 0 FFAAHN CS(=O)(=O)c1ccc(CN2CCCN(C3CCCCC3)CC2)cc1 ZINC000067649923 506961683 /nfs/dbraw/zinc/96/16/83/506961683.db2.gz FUIBTRMLBMKDSW-UHFFFAOYSA-N 0 3 350.528 2.931 50 0 FFAAHN CN(C)[C@H](CNC(=O)CCNC(=O)c1ccccc1Cl)c1ccccc1 ZINC000014061934 506962637 /nfs/dbraw/zinc/96/26/37/506962637.db2.gz MZIXGGOFULDJCN-GOSISDBHSA-N 0 3 373.884 2.879 50 0 FFAAHN O=C(CN1CCCCCC1)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 ZINC000067756613 506997936 /nfs/dbraw/zinc/99/79/36/506997936.db2.gz OYEKXTSYFLKFTR-UHFFFAOYSA-N 0 3 356.445 2.789 50 0 FFAAHN CC(=O)NCc1ccc(N2CCN(Cc3cccc4[nH]ccc43)CC2)nc1 ZINC000067754401 506997985 /nfs/dbraw/zinc/99/79/85/506997985.db2.gz WZVRNQLVEYXWCJ-UHFFFAOYSA-N 0 3 363.465 2.521 50 0 FFAAHN COc1ncc(CN2CC[C@@]3(C2)CCCN(CC2CCCCC2)C3=O)cn1 ZINC000014955554 507007049 /nfs/dbraw/zinc/00/70/49/507007049.db2.gz NFXCLDFBXVFVNZ-OAQYLSRUSA-N 0 3 372.513 2.880 50 0 FFAAHN COc1ccc2[nH]c(=O)c(CN3CC[C@@H](n4nc(C)cc4C)C3)cc2c1 ZINC000067881301 507036385 /nfs/dbraw/zinc/03/63/85/507036385.db2.gz UZTWBGMMKXRDHG-QGZVFWFLSA-N 0 3 352.438 2.797 50 0 FFAAHN CC(C)CCN1CCN(Cc2cccc(-n3cccn3)c2)C[C@@H]1CCO ZINC000020201350 507214505 /nfs/dbraw/zinc/21/45/05/507214505.db2.gz UQPSBRDBYWLPSY-NRFANRHFSA-N 0 3 356.514 2.787 50 0 FFAAHN O=C(CNCC1(N2CCOCC2)CCCCC1)Nc1ccc(Cl)cc1 ZINC000022038348 507278285 /nfs/dbraw/zinc/27/82/85/507278285.db2.gz STMZPMYATXLMKA-UHFFFAOYSA-N 0 3 365.905 2.903 50 0 FFAAHN COc1ccc(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)cc1 ZINC000058203007 507385567 /nfs/dbraw/zinc/38/55/67/507385567.db2.gz NPRXOIYDAGXTHY-UHFFFAOYSA-N 0 3 353.466 2.869 50 0 FFAAHN COc1cccc(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)c1 ZINC000058202991 507385731 /nfs/dbraw/zinc/38/57/31/507385731.db2.gz FLWFOVFQTHMAAE-UHFFFAOYSA-N 0 3 353.466 2.869 50 0 FFAAHN COc1cc(CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)ccn1 ZINC000058264556 507396494 /nfs/dbraw/zinc/39/64/94/507396494.db2.gz NYZXJPMVJNBSQQ-MRXNPFEDSA-N 0 3 374.510 2.863 50 0 FFAAHN COc1cc(CCC(=O)NC[C@@H]2CCCN2C)ccc1OCC(F)(F)F ZINC000058267723 507396545 /nfs/dbraw/zinc/39/65/45/507396545.db2.gz UIGVRHMEFYOJBT-AWEZNQCLSA-N 0 3 374.403 2.779 50 0 FFAAHN CC(C)c1cc(CN(C)c2nc(-c3cccnc3)nc3c2CCNC3)on1 ZINC000071388856 507702763 /nfs/dbraw/zinc/70/27/63/507702763.db2.gz YNHBFWMHSZVSPO-UHFFFAOYSA-N 0 3 364.453 2.932 50 0 FFAAHN CC(C)[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)CCCN1Cc1ccc(F)cc1 ZINC000071776230 507715962 /nfs/dbraw/zinc/71/59/62/507715962.db2.gz UVTPQZYZUUOQDD-SFHVURJKSA-N 0 3 372.444 2.694 50 0 FFAAHN CN1CC[C@@H](NC(=O)c2cnn3c2CCCC3)[C@@H](Cc2ccccc2)C1 ZINC000072152187 507761805 /nfs/dbraw/zinc/76/18/05/507761805.db2.gz GWJNGGJCQYICJJ-PKOBYXMFSA-N 0 3 352.482 2.512 50 0 FFAAHN COc1cccc([C@H]2CN(C(=O)C3CCOCC3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072164243 507766735 /nfs/dbraw/zinc/76/67/35/507766735.db2.gz QEVNDCGERUTHQK-NJDAHSKKSA-N 0 3 370.493 2.510 50 0 FFAAHN CCn1cc(S(=O)(=O)N[C@H]2CCCN(C3CCCCCC3)C2)c(C)n1 ZINC000072167451 507768064 /nfs/dbraw/zinc/76/80/64/507768064.db2.gz RJMQKAGTVLCWKN-INIZCTEOSA-N 0 3 368.547 2.677 50 0 FFAAHN Cc1ccccc1CC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000072306658 507774289 /nfs/dbraw/zinc/77/42/89/507774289.db2.gz SWRQESHOHXLZMB-UHFFFAOYSA-N 0 3 352.478 2.811 50 0 FFAAHN CC(C)(CNC(=O)N1CCCN(C2CC2)CC1)c1ccc2c(c1)OCCO2 ZINC000064229123 507786169 /nfs/dbraw/zinc/78/61/69/507786169.db2.gz ICENXXFJFRPKDE-UHFFFAOYSA-N 0 3 373.497 2.615 50 0 FFAAHN Cc1nc(-c2ccccc2)[nH]c1C(=O)NCc1c(C)ncc2c1CCNC2 ZINC000072428134 507789374 /nfs/dbraw/zinc/78/93/74/507789374.db2.gz APECOGVCMJJHQF-UHFFFAOYSA-N 0 3 361.449 2.664 50 0 FFAAHN Cc1[nH]nc(CCC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c1C ZINC000072428711 507789386 /nfs/dbraw/zinc/78/93/86/507789386.db2.gz VPRKUCCHMJEJSC-UHFFFAOYSA-N 0 3 358.461 2.833 50 0 FFAAHN Cc1cc(C)c2[nH]c(=O)c(CN3CCC[C@]4(CN(C)C(=O)O4)C3)cc2c1 ZINC000072447621 507793451 /nfs/dbraw/zinc/79/34/51/507793451.db2.gz PXKYFNYNFSNXOU-FQEVSTJZSA-N 0 3 355.438 2.562 50 0 FFAAHN COCCN1C[C@H]2CC[C@@H]1CN(CC1=Cc3cc(OC)ccc3OC1)C2 ZINC000091616551 507996639 /nfs/dbraw/zinc/99/66/39/507996639.db2.gz LMOXXCNDPVXWEZ-QFBILLFUSA-N 0 3 358.482 2.514 50 0 FFAAHN CN(C)CCN1CC2(CCC1=O)CCN(Cc1cc(F)ccc1F)CC2 ZINC000091665620 508001160 /nfs/dbraw/zinc/00/11/60/508001160.db2.gz WYHCECQYIYIVCE-UHFFFAOYSA-N 0 3 365.468 2.731 50 0 FFAAHN CC(=O)N[C@@H]1CN(Cc2ccc(OCCn3ccnc3)cc2)C[C@H]1C(C)C ZINC000077380208 508308188 /nfs/dbraw/zinc/30/81/88/508308188.db2.gz DUACOSBZSVSZBA-LEWJYISDSA-N 0 3 370.497 2.555 50 0 FFAAHN c1ncn(CCN2CCN(Cc3cccc4c5ccccc5oc43)CC2)n1 ZINC000077517819 508326590 /nfs/dbraw/zinc/32/65/90/508326590.db2.gz LOJIYVSDMMOXAV-UHFFFAOYSA-N 0 3 361.449 2.995 50 0 FFAAHN CN1CCN(CCOc2ccccc2CN2CCC(F)(F)CC2)CC1 ZINC000215769843 509250451 /nfs/dbraw/zinc/25/04/51/509250451.db2.gz QYMLKZNFTHXHRV-UHFFFAOYSA-N 0 3 353.457 2.544 50 0 FFAAHN COc1ccc2[nH]c(=O)c(CN(C)Cc3ccc4nonc4c3)cc2c1 ZINC000216030957 509254769 /nfs/dbraw/zinc/25/47/69/509254769.db2.gz PRYUTEUDORWRMW-UHFFFAOYSA-N 0 3 350.378 2.705 50 0 FFAAHN O=C(c1cc(Cl)c[nH]c1=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC000216371807 509259618 /nfs/dbraw/zinc/25/96/18/509259618.db2.gz BHUZGUNVCYAFFK-WBVHZDCISA-N 0 3 371.868 2.765 50 0 FFAAHN CN(C)Cc1ccc([C@@H]2CCCN2C(=O)CN(C)Cc2cccnc2)cc1 ZINC000218805869 509281170 /nfs/dbraw/zinc/28/11/70/509281170.db2.gz OSEHEOYAAOTDGK-NRFANRHFSA-N 0 3 366.509 2.939 50 0 FFAAHN O=C(Nc1ccccc1)[C@@H]1CCCN(C[C@@H](O)c2ccc3c(c2)OCO3)C1 ZINC000229505170 509424547 /nfs/dbraw/zinc/42/45/47/509424547.db2.gz IVBVUMFCBFHJJO-SJLPKXTDSA-N 0 3 368.433 2.799 50 0 FFAAHN CCCOc1ccccc1CN1CCN(C)[C@]2(C1)CCC(=O)N(CC)CC2 ZINC000230191384 509433015 /nfs/dbraw/zinc/43/30/15/509433015.db2.gz TZHKHOKBMVDZAO-JOCHJYFZSA-N 0 3 373.541 2.994 50 0 FFAAHN Cc1cc(C)n(Cc2cccc(CNC(=O)[C@H](CN)c3ccccc3)c2)n1 ZINC000170677414 509714240 /nfs/dbraw/zinc/71/42/40/509714240.db2.gz UWPKSBCATUCAQO-OAQYLSRUSA-N 0 3 362.477 2.907 50 0 FFAAHN COC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000252445448 509837468 /nfs/dbraw/zinc/83/74/68/509837468.db2.gz GDARBXUVMYRJPW-BEFAXECRSA-N 0 3 371.481 2.959 50 0 FFAAHN C[C@H](Oc1ncccc1C(=O)NCCN1CCC(C)CC1)C(F)(F)F ZINC000242273637 509845434 /nfs/dbraw/zinc/84/54/34/509845434.db2.gz YEOGUHYDHZLTTQ-ZDUSSCGKSA-N 0 3 359.392 2.873 50 0 FFAAHN COc1ccc([C@H](N)CC(=O)N2CC(Oc3ccccc3C)C2)cc1OC ZINC000244626584 509862188 /nfs/dbraw/zinc/86/21/88/509862188.db2.gz FOITZQMHSHUWML-QGZVFWFLSA-N 0 3 370.449 2.692 50 0 FFAAHN COc1ccc(CN(C[C@@H](O)COCC(C)C)C[C@H]2CCCO2)cc1 ZINC000245326188 509886464 /nfs/dbraw/zinc/88/64/64/509886464.db2.gz FBJRBSUXAZHVGD-UYAOXDASSA-N 0 3 351.487 2.710 50 0 FFAAHN CC(C)c1nnc([C@H]2CN(C)CC23CCN(Cc2ccccn2)CC3)o1 ZINC000257175642 509946622 /nfs/dbraw/zinc/94/66/22/509946622.db2.gz QEDLEILFPUEMOA-QGZVFWFLSA-N 0 3 355.486 2.899 50 0 FFAAHN O=C1NCCCCCCN[C@H]2C[C@H](c3nc(Cc4ccccc4)no3)C[C@@H]12 ZINC000257180687 509948774 /nfs/dbraw/zinc/94/87/74/509948774.db2.gz DUTQGCSJOCACDV-KURKYZTESA-N 0 3 368.481 2.802 50 0 FFAAHN COc1ccc([C@@H](CNCc2cnn3ccccc23)N2CCOCC2)cc1 ZINC000171761917 510354238 /nfs/dbraw/zinc/35/42/38/510354238.db2.gz HLAPGTXJCWQFIM-OAQYLSRUSA-N 0 3 366.465 2.506 50 0 FFAAHN CN(C(=O)NCCCc1ccccn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000269487615 510431976 /nfs/dbraw/zinc/43/19/76/510431976.db2.gz RSATUIDCMKFHRN-FQEVSTJZSA-N 0 3 352.482 2.930 50 0 FFAAHN CN1CCCN(CC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000299756391 511670052 /nfs/dbraw/zinc/67/00/52/511670052.db2.gz HTDBBHUDLUNNPU-GOSISDBHSA-N 0 3 357.498 2.577 50 0 FFAAHN C[C@H]1CCCCN1Cc1cccc(NC(=O)NCCCn2cnnc2)c1 ZINC000299756420 511670448 /nfs/dbraw/zinc/67/04/48/511670448.db2.gz HZXZZVPQQJIPLH-INIZCTEOSA-N 0 3 356.474 2.864 50 0 FFAAHN O=C(NCCN1CCC[C@@H](CO)C1)c1ccc(COc2ccccc2)cc1 ZINC000299772209 511674271 /nfs/dbraw/zinc/67/42/71/511674271.db2.gz SGHHDUUSFUWSEU-LJQANCHMSA-N 0 3 368.477 2.700 50 0 FFAAHN O=C(NCCCN1CCC(O)CC1)[C@@]1(c2ccccc2)CC12CCCC2 ZINC000299787877 511681145 /nfs/dbraw/zinc/68/11/45/511681145.db2.gz SNVWCEUINWHOCM-QFIPXVFZSA-N 0 3 356.510 2.852 50 0 FFAAHN O=C(Nc1ccnn1Cc1ccccc1Cl)N1CCN2CCC[C@H]2C1 ZINC000299787819 511681251 /nfs/dbraw/zinc/68/12/51/511681251.db2.gz RCGBJJGNCOJIEZ-HNNXBMFYSA-N 0 3 359.861 2.897 50 0 FFAAHN Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCNCC3)c1 ZINC000299790448 511681994 /nfs/dbraw/zinc/68/19/94/511681994.db2.gz BGACYTYSIWJWHV-QGZVFWFLSA-N 0 3 355.486 2.558 50 0 FFAAHN COc1ccc(-c2ccccc2NC(=O)NCC2(O)CCN(C)CC2)cc1 ZINC000299791215 511682784 /nfs/dbraw/zinc/68/27/84/511682784.db2.gz DIPMRHASUQQWNS-UHFFFAOYSA-N 0 3 369.465 2.940 50 0 FFAAHN CN1CCC(Oc2ccccc2NC(=O)NCCCn2ccnc2)CC1 ZINC000299793989 511683575 /nfs/dbraw/zinc/68/35/75/511683575.db2.gz JLXNQYJFILSLGV-UHFFFAOYSA-N 0 3 357.458 2.568 50 0 FFAAHN CC[C@H]1CN(C(=O)c2cccc(-c3cncc(C(C)(C)O)c3)c2)CCN1 ZINC000299798665 511686083 /nfs/dbraw/zinc/68/60/83/511686083.db2.gz QXGOOJDNLWMHOO-IBGZPJMESA-N 0 3 353.466 2.800 50 0 FFAAHN Cn1cc(CN(C(=O)NCCN2CC[C@H](c3ccccc3)C2)C2CC2)cn1 ZINC000426360117 513913627 /nfs/dbraw/zinc/91/36/27/513913627.db2.gz IQUTYCNUMGOGKE-IBGZPJMESA-N 0 3 367.497 2.584 50 0 FFAAHN O=C(NCCc1nc2ccccc2[nH]1)N1CCN(C2CCCCC2)CC1 ZINC000426399241 513929154 /nfs/dbraw/zinc/92/91/54/513929154.db2.gz OXDYNFIIDUSEIY-UHFFFAOYSA-N 0 3 355.486 2.765 50 0 FFAAHN Cc1nc(N(C)C)nc(-c2ccc(C(=O)NCCN3CCCC3)cc2)c1C ZINC000426507863 513963584 /nfs/dbraw/zinc/96/35/84/513963584.db2.gz LGGOTZNLBLYZLT-UHFFFAOYSA-N 0 3 367.497 2.652 50 0 FFAAHN CN(C)[C@@H]1CCN(C(=O)c2ccc(-c3ccc4nc[nH]c(=O)c4c3)cc2)C1 ZINC000426535077 513973083 /nfs/dbraw/zinc/97/30/83/513973083.db2.gz GOMJBHIGWZOAMA-QGZVFWFLSA-N 0 3 362.433 2.779 50 0 FFAAHN CCc1cnc(-c2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)N(C)C4)cc2)nc1 ZINC000426589830 513989300 /nfs/dbraw/zinc/98/93/00/513989300.db2.gz VHSHQLJWVLZARW-LPHOPBHVSA-N 0 3 350.466 2.872 50 0 FFAAHN CN(CCc1ccccn1)C(=O)NCCN1CC[C@H](c2ccccc2)C1 ZINC000426677984 514013326 /nfs/dbraw/zinc/01/33/26/514013326.db2.gz JOWHXUPPEPHUPS-IBGZPJMESA-N 0 3 352.482 2.755 50 0 FFAAHN O=C(NCCN1CCCC[C@@H]1CO)c1ccc(-c2cc(F)ccc2O)cc1 ZINC000426730293 514026236 /nfs/dbraw/zinc/02/62/36/514026236.db2.gz CYNKKTVSBANJSW-GOSISDBHSA-N 0 3 372.440 2.775 50 0 FFAAHN CC[C@@H](CNC(=O)N(C)Cc1nc2ccccc2n1C)N1CCCCC1 ZINC000534581228 517949997 /nfs/dbraw/zinc/94/99/97/517949997.db2.gz QWRPXIRFYMKVEQ-INIZCTEOSA-N 0 3 357.502 2.979 50 0 FFAAHN CN(C)[C@H](CNC(=O)c1cccn(C)c1=O)c1csc2ccccc21 ZINC000575621145 518239867 /nfs/dbraw/zinc/23/98/67/518239867.db2.gz NRCBMGNVLWASPN-MRXNPFEDSA-N 0 3 355.463 2.633 50 0 FFAAHN CC(C)c1noc(C2CCN(C(=O)N[C@@H]3CCN(C(C)(C)C)C3)CC2)n1 ZINC000584893825 518526342 /nfs/dbraw/zinc/52/63/42/518526342.db2.gz QHQLULVCMHMBIV-OAHLLOKOSA-N 0 3 363.506 2.955 50 0 FFAAHN CCOc1ccc(C(=O)N2CCC(CN3CCN(C)C[C@H]3C)CC2)cc1 ZINC000248060021 520893098 /nfs/dbraw/zinc/89/30/98/520893098.db2.gz UHLGRWCENHIRNJ-QGZVFWFLSA-N 0 3 359.514 2.573 50 0 FFAAHN COC(=O)C1=C(CN2CCC[C@@H](C)C2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000245256102 522889663 /nfs/dbraw/zinc/88/96/63/522889663.db2.gz NREHERHYQVONSZ-KDOFPFPSSA-N 0 3 357.454 2.508 50 0 FFAAHN CN1CCCC[C@@H]1C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 ZINC000082121421 523791117 /nfs/dbraw/zinc/79/11/17/523791117.db2.gz GZSAJUPZMRCOGR-HXUWFJFHSA-N 0 3 373.545 2.522 50 0 FFAAHN O[C@H](COCc1ccco1)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000247801643 526287003 /nfs/dbraw/zinc/28/70/03/526287003.db2.gz WCPDWXVUHGURBJ-WMZOPIPTSA-N 0 3 359.422 2.765 50 0 FFAAHN Cc1nc([C@@H]2CCCN(Cc3cnc(NCc4ccccc4)nc3)C2)n[nH]1 ZINC000216369211 527047321 /nfs/dbraw/zinc/04/73/21/527047321.db2.gz AFFLEJYJGZQJHO-GOSISDBHSA-N 0 3 363.469 2.895 50 0 FFAAHN Cc1n[nH]c([C@@H]2CCCN(Cc3cnc(NCc4ccccc4)nc3)C2)n1 ZINC000216369211 527047324 /nfs/dbraw/zinc/04/73/24/527047324.db2.gz AFFLEJYJGZQJHO-GOSISDBHSA-N 0 3 363.469 2.895 50 0 FFAAHN Cc1nnc([C@@H]2CCCN(Cc3cnc(NCc4ccccc4)nc3)C2)[nH]1 ZINC000216369211 527047326 /nfs/dbraw/zinc/04/73/26/527047326.db2.gz AFFLEJYJGZQJHO-GOSISDBHSA-N 0 3 363.469 2.895 50 0 FFAAHN OCCC[C@@H]1CN(C/C=C/c2ccc(F)cc2)CC[C@@H]1N1CCOCC1 ZINC000091410835 527545457 /nfs/dbraw/zinc/54/54/57/527545457.db2.gz FZGDNCSBEDSSDN-RKCGTWKQSA-N 0 3 362.489 2.634 50 0 FFAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000095529885 535936904 /nfs/dbraw/zinc/93/69/04/535936904.db2.gz UOZWFQCDGOCBTH-MRXNPFEDSA-N 0 3 350.470 2.772 50 0 FFAAHN CN(C)c1cc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)ccn1 ZINC000048711429 570959010 /nfs/dbraw/zinc/95/90/10/570959010.db2.gz TUWIQRIHWXYDBK-UHFFFAOYSA-N 0 3 351.410 2.556 50 0 FFAAHN Cc1ccnn1CCC(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072144725 571172667 /nfs/dbraw/zinc/17/26/67/571172667.db2.gz PGONTDFWQKDVOB-CEMLEFRQSA-N 0 3 364.493 2.670 50 0 FFAAHN CCc1nc(C2CCN([C@@H]3CCCN(c4cccc(F)c4)C3=O)CC2)n[nH]1 ZINC000190674816 571174264 /nfs/dbraw/zinc/17/42/64/571174264.db2.gz MSTWDBYMWLPHAS-QGZVFWFLSA-N 0 3 371.460 2.881 50 0 FFAAHN CCc1n[nH]c(C2CCN([C@@H]3CCCN(c4cccc(F)c4)C3=O)CC2)n1 ZINC000190674816 571174267 /nfs/dbraw/zinc/17/42/67/571174267.db2.gz MSTWDBYMWLPHAS-QGZVFWFLSA-N 0 3 371.460 2.881 50 0 FFAAHN CCc1nnc(C2CCN([C@@H]3CCCN(c4cccc(F)c4)C3=O)CC2)[nH]1 ZINC000190674816 571174268 /nfs/dbraw/zinc/17/42/68/571174268.db2.gz MSTWDBYMWLPHAS-QGZVFWFLSA-N 0 3 371.460 2.881 50 0 FFAAHN C[C@@H]1CN(Cc2ccc3c[nH]nc3c2)CCN1C[C@H](O)c1ccccc1 ZINC000584908330 571320115 /nfs/dbraw/zinc/32/01/15/571320115.db2.gz FWCCWONVMKPSGM-IERDGZPVSA-N 0 3 350.466 2.803 50 0 FFAAHN O=C(NCCN1CCCCC1)[C@H]1CCc2ncc(-c3ccsc3)n2C1 ZINC000169761363 728981926 /nfs/dbraw/zinc/98/19/26/728981926.db2.gz YXKVIWAJVWBOMR-HNNXBMFYSA-N 0 3 358.511 2.776 50 0 FFAAHN CC(=O)N1CCC(NC(=O)CN[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000053099458 845268243 /nfs/dbraw/zinc/26/82/43/845268243.db2.gz NAHRGILJYMTJMC-LJQANCHMSA-N 0 3 363.889 2.508 50 0 FFAAHN Cc1ncsc1CN1CCC[C@@H](c2cc3n(n2)CCCN(C)C3=O)C1 ZINC000675010533 971483770 /nfs/dbraw/zinc/48/37/70/971483770.db2.gz UJZAAXOGWNVNFJ-CQSZACIVSA-N 0 3 359.499 2.503 50 0 FFAAHN Cc1cccnc1CN(C)C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000012318465 988554497 /nfs/dbraw/zinc/55/44/97/988554497.db2.gz SUSWXLWWZXMFOM-NRFANRHFSA-N 0 3 371.456 2.515 50 0 FFAAHN O=C([C@@H]1CCCO1)N1CCC(NCc2coc(-c3ccccc3)n2)CC1 ZINC000827913342 999544675 /nfs/dbraw/zinc/54/46/75/999544675.db2.gz DYSPUOVGLHWXCH-SFHVURJKSA-N 0 3 355.438 2.601 50 0 FFAAHN CCc1ccc(CN(C)c2nc(-c3ccccn3)nc3c2CCNC3)nc1 ZINC000072142049 1019825453 /nfs/dbraw/zinc/82/54/53/1019825453.db2.gz NBYSPRPXASTMKL-UHFFFAOYSA-N 0 3 360.465 2.778 50 0 FFAAHN CN(Cc1ccccc1)C1(C(=O)NCc2ccon2)Cc2ccccc2C1 ZINC000039478614 1022781005 /nfs/dbraw/zinc/78/10/05/1022781005.db2.gz DZOBCAZTRCMSLS-UHFFFAOYSA-N 0 3 361.445 2.960 50 0 FFAAHN Cc1ccc(CNC(=O)C2(N)CC3(CCC3)C2)c(OC[C@@H]2CCCO2)c1 ZINC000659278064 1025985348 /nfs/dbraw/zinc/98/53/48/1025985348.db2.gz BPXINXFOGLZDCX-KRWDZBQOSA-N 0 3 358.482 2.831 50 0 FFAAHN O=C(Nc1ccnn1Cc1ccccn1)N1CCN(C2CCCCC2)CC1 ZINC000093354538 1027700494 /nfs/dbraw/zinc/70/04/94/1027700494.db2.gz XVQOOJRVLPTSTK-UHFFFAOYSA-N 0 3 368.485 2.809 50 0 FFAAHN Cc1cc(=O)n(CCN2CCC[C@@H](c3nc4ccccc4s3)C2)c(=O)[nH]1 ZINC001529095659 1062157731 /nfs/dbraw/zinc/15/77/31/1062157731.db2.gz RXISLMXUIQTNID-CQSZACIVSA-N 0 3 370.478 2.747 50 0 FFAAHN Cc1nn(C)c(NC(=O)CC[C@@H](C)N2CCN(C)CC2)c1-c1ccccc1 ZINC001529134123 1062181828 /nfs/dbraw/zinc/18/18/28/1062181828.db2.gz WEBKIFISYJXWQK-MRXNPFEDSA-N 0 3 369.513 2.750 50 0 FFAAHN O=C(NCc1ccc(N2CCCC2=O)cc1)C1(N2CCCC2)CCCC1 ZINC000222998808 209744635 /nfs/dbraw/zinc/74/46/35/209744635.db2.gz UEHCLSXLFQMJPX-UHFFFAOYSA-N 0 3 355.482 2.838 50 0 FFAAHN CN1CCN(CC2CCN(C(=O)Nc3ccc(F)cc3Cl)CC2)CC1 ZINC000140704431 209378824 /nfs/dbraw/zinc/37/88/24/209378824.db2.gz MCPJEYPGBIMLQY-UHFFFAOYSA-N 0 3 368.884 2.970 50 0 FFAAHN CN1CCCCC[C@H]1C(=O)N(CCCn1ccnc1)Cc1cccnc1 ZINC000097681774 209192746 /nfs/dbraw/zinc/19/27/46/209192746.db2.gz DWKOEYWAFIPBTQ-IBGZPJMESA-N 0 3 355.486 2.571 50 0 FFAAHN CN1CCN(C)[C@H](CC(=O)NCCCSCc2ccccc2Cl)C1 ZINC000097610244 209189164 /nfs/dbraw/zinc/18/91/64/209189164.db2.gz XZBSVYLIWLOWDF-MRXNPFEDSA-N 0 3 369.962 2.715 50 0 FFAAHN COc1cc(C(=O)N2CCC(N3CCSCC3)CC2)c2ccccc2n1 ZINC000097572325 209188018 /nfs/dbraw/zinc/18/80/18/209188018.db2.gz XLOYKKNHPDLTNQ-UHFFFAOYSA-N 0 3 371.506 2.897 50 0 FFAAHN COc1ccc(-n2cccn2)c(CN2CCC(c3noc(C)n3)CC2)c1 ZINC000097522682 209184233 /nfs/dbraw/zinc/18/42/33/209184233.db2.gz HUVAOJVYGJHRST-UHFFFAOYSA-N 0 3 353.426 2.952 50 0 FFAAHN CN1CCC(Cc2nc(CCO)n(Cc3c(F)cccc3Cl)n2)CC1 ZINC000096153535 209125937 /nfs/dbraw/zinc/12/59/37/209125937.db2.gz BAUPYPNXIXUXAA-UHFFFAOYSA-N 0 3 366.868 2.538 50 0 FFAAHN CN(C)CCCn1cnc2c(c1=N)[C@@H](c1ccco1)c1ccc(O)cc1O2 ZINC000005345632 207094501 /nfs/dbraw/zinc/09/45/01/207094501.db2.gz AYOVFZCAQSBOLU-QGZVFWFLSA-N 0 3 366.421 2.899 50 0 FFAAHN CN(C)[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1ccccc1 ZINC000006542900 207144845 /nfs/dbraw/zinc/14/48/45/207144845.db2.gz HRAXEXKPCYJWMX-IAGOWNOFSA-N 0 3 371.506 2.772 50 0 FFAAHN CCOC(=O)[C@@H]1CCCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000006939099 207179937 /nfs/dbraw/zinc/17/99/37/207179937.db2.gz NIBHEJHGWJBWBW-WSTZPKSXSA-N 0 3 361.482 2.717 50 0 FFAAHN COc1cccc([C@@H](CNc2nnnn2-c2ccccc2)N2CCCC2)c1 ZINC000008755290 207247317 /nfs/dbraw/zinc/24/73/17/207247317.db2.gz WSCVLHAVVFFFEC-LJQANCHMSA-N 0 3 364.453 2.920 50 0 FFAAHN Cc1nc(NCCNC(=O)c2cccc(Cl)c2)cc(N2CCCC2)n1 ZINC000036708053 207288593 /nfs/dbraw/zinc/28/85/93/207288593.db2.gz KYJCAGLIUJIINT-UHFFFAOYSA-N 0 3 359.861 2.881 50 0 FFAAHN CCCN1CCC(NC(=O)c2cc(COc3cccc(OC)c3)on2)CC1 ZINC000011773256 207322533 /nfs/dbraw/zinc/32/25/33/207322533.db2.gz PMQDDRFENRJEAJ-UHFFFAOYSA-N 0 3 373.453 2.866 50 0 FFAAHN CN(C(=O)/C=C/c1cnn(C)c1)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000012003220 207332811 /nfs/dbraw/zinc/33/28/11/207332811.db2.gz QIDUIXAEXFXYNC-JNCYCUAHSA-N 0 3 366.509 2.989 50 0 FFAAHN CN(C(=O)CC[C@@H]1CCCN(C(=O)C2CCCC2)C1)C1CCN(C)CC1 ZINC000012456325 207380056 /nfs/dbraw/zinc/38/00/56/207380056.db2.gz RIENIWYMKZNSQX-KRWDZBQOSA-N 0 3 363.546 2.748 50 0 FFAAHN CN(C)CCNC(=O)CCC1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012593611 207398075 /nfs/dbraw/zinc/39/80/75/207398075.db2.gz KTZDFFOACLOICC-UHFFFAOYSA-N 0 3 374.554 2.966 50 0 FFAAHN COc1ccccc1NC(=O)NC[C@@H](CN(C)C)[C@H](O)c1ccccc1 ZINC000032912647 208056403 /nfs/dbraw/zinc/05/64/03/208056403.db2.gz QQUUITJANOBJQF-QFBILLFUSA-N 0 3 357.454 2.728 50 0 FFAAHN C[C@H](C(=O)NCCN1CCCCCC1)N1c2ccccc2CCCC1=O ZINC000032929351 208058311 /nfs/dbraw/zinc/05/83/11/208058311.db2.gz RWHFVXRXEVFODB-QGZVFWFLSA-N 0 3 357.498 2.737 50 0 FFAAHN Cc1noc(C)c1COc1ccc(CC(=O)N2CCCN(C)CC2)cc1 ZINC000032963990 208061020 /nfs/dbraw/zinc/06/10/20/208061020.db2.gz GYRBPNINXUWGRI-UHFFFAOYSA-N 0 3 357.454 2.577 50 0 FFAAHN COCCN(Cc1ccc(OC)cc1)C[C@H](O)COc1ccccc1C ZINC000036095199 208144207 /nfs/dbraw/zinc/14/42/07/208144207.db2.gz BPAQURFKOHOOMW-IBGZPJMESA-N 0 3 359.466 2.892 50 0 FFAAHN COCCCN(Cc1cccc(OC)c1OC)C[C@H](O)COCC(C)C ZINC000036097180 208145215 /nfs/dbraw/zinc/14/52/15/208145215.db2.gz SAIUFNJXEFZJFY-SFHVURJKSA-N 0 3 369.502 2.576 50 0 FFAAHN O=C(Cn1ccnc1)N1CC[C@]2(C1)CCCN(Cc1ccccc1F)C2 ZINC000039371937 208212405 /nfs/dbraw/zinc/21/24/05/208212405.db2.gz QWIVTZJQKFYQSO-HXUWFJFHSA-N 0 3 356.445 2.537 50 0 FFAAHN CN(C)Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000040092684 208225237 /nfs/dbraw/zinc/22/52/37/208225237.db2.gz AKVLHYWNLWMVCQ-KRWDZBQOSA-N 0 3 358.486 2.615 50 0 FFAAHN CCc1ccc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)o1 ZINC000046456618 208365260 /nfs/dbraw/zinc/36/52/60/208365260.db2.gz AEMZDNNPULSRJF-LJQANCHMSA-N 0 3 355.482 2.951 50 0 FFAAHN Cc1ccc(C(=O)N2CCC[C@@H](Cn3cc(C(C)(C)N)nn3)C2)c(C)c1 ZINC000048255074 208393025 /nfs/dbraw/zinc/39/30/25/208393025.db2.gz NKBACLGVQLAHRH-MRXNPFEDSA-N 0 3 355.486 2.641 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3cccc(OC)c3)cnn2c1 ZINC000067983151 208744237 /nfs/dbraw/zinc/74/42/37/208744237.db2.gz RYMGLONCFFAVOY-UHFFFAOYSA-N 0 3 353.426 2.832 50 0 FFAAHN CCN1C[C@@]2(CCCN(C(=O)C3(N4CCCC4)CCCC3)C2)CCC1=O ZINC000082109528 208947495 /nfs/dbraw/zinc/94/74/95/208947495.db2.gz BORUNAXUQORTEC-HXUWFJFHSA-N 0 3 361.530 2.646 50 0 FFAAHN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000091876520 209001864 /nfs/dbraw/zinc/00/18/64/209001864.db2.gz GYVVVCSGPAWGMK-CZUORRHYSA-N 0 3 356.388 2.888 50 0 FFAAHN O=C1CCC2(CCN(Cc3ccc(Cl)cc3)CC2)CN1CCCO ZINC000091757167 208995164 /nfs/dbraw/zinc/99/51/64/208995164.db2.gz KUSBKEZBEBLBRO-UHFFFAOYSA-N 0 3 350.890 2.927 50 0 FFAAHN C[C@H](CNC(=O)[C@]1(C)CCCCN1C(=O)OC(C)(C)C)N(C)C1CC1 ZINC000096004539 209094877 /nfs/dbraw/zinc/09/48/77/209094877.db2.gz GMBWOUYIVKRDED-KUHUBIRLSA-N 0 3 353.507 2.765 50 0 FFAAHN Cc1cnc(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)cn1 ZINC000091986845 209009482 /nfs/dbraw/zinc/00/94/82/209009482.db2.gz NIMHDRMKSOMMOJ-VQTJNVASSA-N 0 3 364.493 2.954 50 0 FFAAHN CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(C(C)C)nc(N)n1)C2 ZINC000092038311 209012512 /nfs/dbraw/zinc/01/25/12/209012512.db2.gz UGBMMPKOOHYHFZ-HZPDHXFCSA-N 0 3 357.502 2.685 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@H]2N(C)C)cc1 ZINC000095352874 209022747 /nfs/dbraw/zinc/02/27/47/209022747.db2.gz PXVSTVTXJZHLEB-VQTJNVASSA-N 0 3 366.461 2.800 50 0 FFAAHN Cc1nc(CNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)nc2c1CCCC2 ZINC000095354356 209024590 /nfs/dbraw/zinc/02/45/90/209024590.db2.gz AMWSHIADYPHEES-MRXNPFEDSA-N 0 3 368.481 2.785 50 0 FFAAHN Cc1[nH]c2c(cccc2CN2CCN(C)[C@@]3(C2)CCC(=O)N(C)CC3)c1C ZINC000095359880 209027543 /nfs/dbraw/zinc/02/75/43/209027543.db2.gz UWTFPVXLJWAXSS-QFIPXVFZSA-N 0 3 368.525 2.913 50 0 FFAAHN Cc1ccc([C@H]2CN(c3cc(C(N)=O)ccn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095371968 209034831 /nfs/dbraw/zinc/03/48/31/209034831.db2.gz NXAHCJCGEHJNPM-HMXCVIKNSA-N 0 3 362.477 2.556 50 0 FFAAHN O=C(NCCCn1nccc1C1CC1)C1CCN(Cc2ccco2)CC1 ZINC000095383333 209041964 /nfs/dbraw/zinc/04/19/64/209041964.db2.gz JOGGHZXWFSGCBZ-UHFFFAOYSA-N 0 3 356.470 2.772 50 0 FFAAHN Cc1ccc([C@H]2CN(c3ncccc3C(N)=O)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095382890 209042626 /nfs/dbraw/zinc/04/26/26/209042626.db2.gz BDKNYQLNWHMXKR-VAMGGRTRSA-N 0 3 362.477 2.556 50 0 FFAAHN COc1ccc(CCNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1 ZINC000057205831 221084721 /nfs/dbraw/zinc/08/47/21/221084721.db2.gz PHUNMLJNTQPSPI-IBGZPJMESA-N 0 3 355.482 2.710 50 0 FFAAHN C[C@@H]1C[C@H](Nc2cc(N3CCOCC3)ncn2)CCN1Cc1ccccc1 ZINC000302870153 258113316 /nfs/dbraw/zinc/11/33/16/258113316.db2.gz BBYDELXWPJFICZ-IEBWSBKVSA-N 0 3 367.497 2.778 50 0 FFAAHN COc1ccc(OC[C@@H](O)CN(C)C)c(CN2Cc3ccccc3C2)c1 ZINC000095508883 209066330 /nfs/dbraw/zinc/06/63/30/209066330.db2.gz ZOBYSPIEMKYXOC-IBGZPJMESA-N 0 3 356.466 2.512 50 0 FFAAHN O=C(c1ccc(N2CCOCC2)cc1)N1CCCN(C2CCCC2)CC1 ZINC000077355589 132181969 /nfs/dbraw/zinc/18/19/69/132181969.db2.gz FTKUGCUCEFMOGJ-UHFFFAOYSA-N 0 3 357.498 2.614 50 0 FFAAHN Cc1cc(F)ccc1N1CCC(NCc2cc3n(n2)CCCNC3)CC1 ZINC000082138839 132197130 /nfs/dbraw/zinc/19/71/30/132197130.db2.gz IWWAMRLLZOFXIW-UHFFFAOYSA-N 0 3 357.477 2.583 50 0 FFAAHN CC(C)CN1CCc2nc[nH]c2C12CCN(c1cccc([C@@H](C)O)n1)CC2 ZINC000091943003 132205172 /nfs/dbraw/zinc/20/51/72/132205172.db2.gz JRZQLRZKNPMDOC-MRXNPFEDSA-N 0 3 369.513 2.868 50 0 FFAAHN c1ccc(CNc2nc(Nc3ccccc3)nc(N3CCNCC3)n2)cc1 ZINC000147290178 132252365 /nfs/dbraw/zinc/25/23/65/132252365.db2.gz YLYIHYOTBYLWSQ-UHFFFAOYSA-N 0 3 361.453 2.637 50 0 FFAAHN CCN1CCN(c2ccc(NC(=O)COc3ccc(OC)cc3)cc2)CC1 ZINC000000804955 132378617 /nfs/dbraw/zinc/37/86/17/132378617.db2.gz YXKQQBZZNIQTQJ-UHFFFAOYSA-N 0 3 369.465 2.855 50 0 FFAAHN O=C(C[C@@H]1C=CCC1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058201308 136130906 /nfs/dbraw/zinc/13/09/06/136130906.db2.gz PYVYXSBRPUXQEN-UXHICEINSA-N 0 3 368.525 2.799 50 0 FFAAHN Cc1ccc(-c2cn(CC3CCN(c4cc(C)nc(N)n4)CC3)nn2)cc1 ZINC000063847361 136133083 /nfs/dbraw/zinc/13/30/83/136133083.db2.gz BTWBCDXJVKBYQW-UHFFFAOYSA-N 0 3 363.469 2.851 50 0 FFAAHN Cc1nn(CCO)cc1CN1CCCC12CCN(c1cccc(C)n1)CC2 ZINC000072429198 136146776 /nfs/dbraw/zinc/14/67/76/136146776.db2.gz BOPRNFGYRIEDJI-UHFFFAOYSA-N 0 3 369.513 2.522 50 0 FFAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)CCCc3ccccc3)CC2)n1 ZINC000072437046 136147565 /nfs/dbraw/zinc/14/75/65/136147565.db2.gz ZFGBMAILVRUGCW-UHFFFAOYSA-N 0 3 367.497 2.523 50 0 FFAAHN CN1CCN2C[C@@H](NC(=O)Nc3ccc(SC(F)(F)F)cc3)C[C@H]2C1 ZINC000095526925 209076073 /nfs/dbraw/zinc/07/60/73/209076073.db2.gz SQVYDCVWWQQLQX-STQMWFEESA-N 0 3 374.432 2.808 50 0 FFAAHN Cc1cnc(-c2nc(COc3ccccc3)nn2C2CCN(C)CC2)cn1 ZINC000095527795 209077599 /nfs/dbraw/zinc/07/75/99/209077599.db2.gz JVUAUIZPKWYLRM-UHFFFAOYSA-N 0 3 364.453 2.889 50 0 FFAAHN O=C(NCCc1ccccc1F)C1CCN(CCc2ccccn2)CC1 ZINC000052826114 506258124 /nfs/dbraw/zinc/25/81/24/506258124.db2.gz YDXQDJJXXBFOGR-UHFFFAOYSA-N 0 3 355.457 2.834 50 0 FFAAHN COCCN1CC[C@@H](CNc2ncc3c(n2)CCN3c2ccccc2)C1 ZINC000065404034 506292341 /nfs/dbraw/zinc/29/23/41/506292341.db2.gz MMQIWUHSVMPCBQ-INIZCTEOSA-N 0 3 353.470 2.551 50 0 FFAAHN C[C@@H]1C[C@@H](C)CN(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000032929495 506314653 /nfs/dbraw/zinc/31/46/53/506314653.db2.gz QWWSCMPFTVIEDV-CHWSQXEVSA-N 0 3 364.433 2.962 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)[C@H](NC(=O)C1CCC(C)CC1)C(C)C ZINC000003895709 506351237 /nfs/dbraw/zinc/35/12/37/506351237.db2.gz FDJRHCIWWPNQCN-OPQOLIRYSA-N 0 3 351.535 2.554 50 0 FFAAHN COc1ccc(CN2CCC(C(=O)NCc3cccnc3)CC2)cc1OC ZINC000005578879 506450331 /nfs/dbraw/zinc/45/03/31/506450331.db2.gz MBYVJCIEUOSTLO-UHFFFAOYSA-N 0 3 369.465 2.627 50 0 FFAAHN COCCN(Cc1cc(C)n(-n2cnnc2)c1C)Cc1ccc(C)cc1 ZINC000055384922 506738542 /nfs/dbraw/zinc/73/85/42/506738542.db2.gz YDEMWLOETQXMIW-UHFFFAOYSA-N 0 3 353.470 2.965 50 0 FFAAHN O=C(CSc1ncccn1)N[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000012595128 506882802 /nfs/dbraw/zinc/88/28/02/506882802.db2.gz KTEKLWYDTVTEQB-GOSISDBHSA-N 0 3 370.522 2.782 50 0 FFAAHN CC1(C)Cc2cc(CNC[C@@]3(O)CCCN(CC4CCC4)C3=O)ccc2O1 ZINC000012714107 506891291 /nfs/dbraw/zinc/89/12/91/506891291.db2.gz CGEYRHYGFZYPFZ-QFIPXVFZSA-N 0 3 372.509 2.643 50 0 FFAAHN COc1ccc([C@H](CNC(=O)c2cccc(NC(C)=O)c2)N(C)C)cc1 ZINC000014202166 506978570 /nfs/dbraw/zinc/97/85/70/506978570.db2.gz KTVSGNCDIXRRAL-IBGZPJMESA-N 0 3 355.438 2.686 50 0 FFAAHN Cn1ncc2c1ncnc2N1CCN(Cc2cccc3ccccc32)CC1 ZINC000014267364 506983149 /nfs/dbraw/zinc/98/31/49/506983149.db2.gz GHCCZTIKOSJJMF-UHFFFAOYSA-N 0 3 358.449 2.839 50 0 FFAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CSC)C1 ZINC000015063880 507015319 /nfs/dbraw/zinc/01/53/19/507015319.db2.gz SKVXBHLBFRHKRK-MRXNPFEDSA-N 0 3 350.528 2.771 50 0 FFAAHN Cc1cnn(-c2cc(N3CCN(Cc4cccc5[nH]ccc54)CC3)ncn2)c1 ZINC000067868110 507031594 /nfs/dbraw/zinc/03/15/94/507031594.db2.gz UISKDBRLKOLMFE-UHFFFAOYSA-N 0 3 373.464 2.774 50 0 FFAAHN CSc1ccc2cc(CN3CCC[C@H](CCC(N)=O)C3)c(=O)[nH]c2c1 ZINC000067955631 507066680 /nfs/dbraw/zinc/06/66/80/507066680.db2.gz HGCSIZTXOPXRHF-CYBMUJFWSA-N 0 3 359.495 2.728 50 0 FFAAHN COc1ccc(OC)c(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)c1 ZINC000019228280 507160301 /nfs/dbraw/zinc/16/03/01/507160301.db2.gz QGJADOMSLJGAKR-KRWDZBQOSA-N 0 3 350.503 2.619 50 0 FFAAHN NS(=O)(=O)c1ccc(CCNCc2c(Cl)cccc2Cl)cc1 ZINC000019871808 507202616 /nfs/dbraw/zinc/20/26/16/507202616.db2.gz SHIIYHXCBVNWDD-UHFFFAOYSA-N 0 3 359.278 2.973 50 0 FFAAHN c1ccc(CN2CCN(CCN3CCn4c5ccccc5nc43)CC2)cc1 ZINC000019973608 507208202 /nfs/dbraw/zinc/20/82/02/507208202.db2.gz BPPMNFPLFOUIKM-UHFFFAOYSA-N 0 3 361.493 2.674 50 0 FFAAHN CCOc1ccccc1NC(=O)CC1C(=O)N=C2Nc3ccccc3N21 ZINC000020102394 507209393 /nfs/dbraw/zinc/20/93/93/507209393.db2.gz CHKWZYDWJRTDIK-HNNXBMFYSA-N 0 3 350.378 2.611 50 0 FFAAHN COc1ccc(OC)c(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)c1 ZINC000020419513 507219147 /nfs/dbraw/zinc/21/91/47/507219147.db2.gz KNDNOMIMQSHFCQ-IBGZPJMESA-N 0 3 362.514 2.905 50 0 FFAAHN COc1ccc(N2C(=O)[C@H](CN3CCN(C)CC3)[C@@H]2c2ccccc2)cc1 ZINC000020388044 507220094 /nfs/dbraw/zinc/22/00/94/507220094.db2.gz PDQXYGHDFRABEL-RTWAWAEBSA-N 0 3 365.477 2.647 50 0 FFAAHN c1ncn(-c2ccc(N3CCC(N4CCOC5(CCCC5)C4)CC3)cc2)n1 ZINC000020998356 507239093 /nfs/dbraw/zinc/23/90/93/507239093.db2.gz YXTDODYAOXSRRT-UHFFFAOYSA-N 0 3 367.497 2.881 50 0 FFAAHN OCC[C@@H]1CN(Cc2cccc(O)c2)CCN1CCCc1ccccc1 ZINC000022919571 507319697 /nfs/dbraw/zinc/31/96/97/507319697.db2.gz QRGRGPDJCBUADK-OAQYLSRUSA-N 0 3 354.494 2.894 50 0 FFAAHN COCCc1ncc(CN(C)[C@@H]2CCCN(CCc3ccccc3)C2)cn1 ZINC000023374811 507349851 /nfs/dbraw/zinc/34/98/51/507349851.db2.gz VMAJREOJPAOOBP-OAQYLSRUSA-N 0 3 368.525 2.804 50 0 FFAAHN CC(C)CCC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058174441 507378073 /nfs/dbraw/zinc/37/80/73/507378073.db2.gz MULIUCPVNWCDSF-IBGZPJMESA-N 0 3 358.530 2.878 50 0 FFAAHN CC1CCN(CCNC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000058393571 507413408 /nfs/dbraw/zinc/41/34/08/507413408.db2.gz LIGUNIFNNPFATB-QGZVFWFLSA-N 0 3 362.493 2.683 50 0 FFAAHN c1sc(-c2ncccn2)nc1CNC1CCN(Cc2ccncc2)CC1 ZINC000069697624 507536346 /nfs/dbraw/zinc/53/63/46/507536346.db2.gz OWFGRKCDWZYQFA-UHFFFAOYSA-N 0 3 366.494 2.749 50 0 FFAAHN COC(=O)c1ccc(CN(C)C[C@@H](O)COc2c(C)cccc2C)cc1 ZINC000027207744 507637805 /nfs/dbraw/zinc/63/78/05/507637805.db2.gz XFBDEBYYQGRGBR-LJQANCHMSA-N 0 3 357.450 2.962 50 0 FFAAHN COc1cc(OC)c([C@H]2NCC[C@]23C(=O)Nc2ccc(F)cc23)cc1OC ZINC000062001318 507650955 /nfs/dbraw/zinc/65/09/55/507650955.db2.gz BDLYWJPBXZFJRJ-UYAOXDASSA-N 0 3 372.396 2.776 50 0 biogenic FFAAHN COc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)ccn1 ZINC000071440178 507704368 /nfs/dbraw/zinc/70/43/68/507704368.db2.gz XPVGYFCGFKNNLM-CEWLAPEOSA-N 0 3 363.461 2.793 50 0 FFAAHN CC(C)[C@@H]1CN(C(=O)c2ccc[nH]c2=O)CCCN1Cc1ccc(F)cc1 ZINC000071498545 507704491 /nfs/dbraw/zinc/70/44/91/507704491.db2.gz NJCSPSFZIRFZAJ-IBGZPJMESA-N 0 3 371.456 2.887 50 0 FFAAHN CN1CCN(CCC[C@]2(O)c3ccccc3COc3ccccc32)CC1 ZINC000071769477 507714038 /nfs/dbraw/zinc/71/40/38/507714038.db2.gz ZNVHPPNLQFFXAX-QFIPXVFZSA-N 0 3 352.478 2.843 50 0 FFAAHN CN1CCC(N(CC(=O)NCC2CCCCC2)Cc2cccnc2)CC1 ZINC000072121625 507750015 /nfs/dbraw/zinc/75/00/15/507750015.db2.gz OMLPMWCSDCZURR-UHFFFAOYSA-N 0 3 358.530 2.674 50 0 FFAAHN c1cc2nonc2c(CN2CCC(c3nnc4n3CCCCC4)CC2)c1 ZINC000072149567 507760721 /nfs/dbraw/zinc/76/07/21/507760721.db2.gz LDIDEWIGGASVIV-UHFFFAOYSA-N 0 3 352.442 2.920 50 0 FFAAHN Cc1ccc([C@H]2CN(C(=O)CCn3cccn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072151828 507761095 /nfs/dbraw/zinc/76/10/95/507761095.db2.gz DZBLSVUMAYJAHL-CEMLEFRQSA-N 0 3 364.493 2.670 50 0 FFAAHN Cc1nccn1C[C@H]1CCCN(Cc2cnc(N3CCCCC3)nc2)C1 ZINC000072154993 507763371 /nfs/dbraw/zinc/76/33/71/507763371.db2.gz MZSQVBOWBHSJMJ-SFHVURJKSA-N 0 3 354.502 2.884 50 0 FFAAHN CC(C)[C@H]1CN(C(=O)CCn2cncn2)CCCN1Cc1ccc(F)cc1 ZINC000072162682 507765351 /nfs/dbraw/zinc/76/53/51/507765351.db2.gz OHMKQWHZSXRFKW-LJQANCHMSA-N 0 3 373.476 2.566 50 0 FFAAHN CCCN1CCN([C@H](C)CCCN(C(=O)c2cscn2)C2CC2)CC1 ZINC000072305496 507773882 /nfs/dbraw/zinc/77/38/82/507773882.db2.gz XLKLYGLICJYYCK-MRXNPFEDSA-N 0 3 364.559 2.944 50 0 FFAAHN COCc1cc(N2CCCN(Cc3ccc(F)cc3)CC2)n2nccc2n1 ZINC000072423939 507787625 /nfs/dbraw/zinc/78/76/25/507787625.db2.gz OOHWUFSELGLTDK-UHFFFAOYSA-N 0 3 369.444 2.727 50 0 FFAAHN COc1ccc(CN2CCC([C@H](C)N3CCOCC3)CC2)c(F)c1F ZINC000072422920 507787730 /nfs/dbraw/zinc/78/77/30/507787730.db2.gz LFELNSSZURZOKL-AWEZNQCLSA-N 0 3 354.441 2.906 50 0 FFAAHN Cc1ncc2c(c1CNC(=O)[C@H](C)Oc1cccc(Cl)c1)CCNC2 ZINC000072426558 507788576 /nfs/dbraw/zinc/78/85/76/507788576.db2.gz LUAFIFFXVGVCQU-ZDUSSCGKSA-N 0 3 359.857 2.773 50 0 FFAAHN COc1ccc(CN2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)cc1C ZINC000072447296 507792101 /nfs/dbraw/zinc/79/21/01/507792101.db2.gz NOWFVPDIPGFWFK-QGZVFWFLSA-N 0 3 357.502 2.573 50 0 FFAAHN COCCN1CCC(C(=O)N2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)CC1 ZINC000072463155 507794122 /nfs/dbraw/zinc/79/41/22/507794122.db2.gz CCAPYWJEBYYLOZ-GOSISDBHSA-N 0 3 374.460 2.724 50 0 FFAAHN COc1ccc(/C=C/CN2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)cc1 ZINC000072476638 507796145 /nfs/dbraw/zinc/79/61/45/507796145.db2.gz PDVRLMJVHLLFEK-SUQGKYDKSA-N 0 3 369.513 2.778 50 0 FFAAHN Cc1ccc2nc(C(=O)N3CCCN(C4Cc5ccccc5C4)CC3)cn2c1 ZINC000091365299 507982503 /nfs/dbraw/zinc/98/25/03/507982503.db2.gz VQYTXSSFNWJRGC-UHFFFAOYSA-N 0 3 374.488 2.958 50 0 FFAAHN CS(=O)(=O)c1ccc(CN2C[C@H]3CC[C@H](CN3CC3CCC3)C2)cc1 ZINC000091551122 507992207 /nfs/dbraw/zinc/99/22/07/507992207.db2.gz KDEZBPZOIPIXNM-RBUKOAKNSA-N 0 3 362.539 2.786 50 0 FFAAHN CN1CCc2nc[nH]c2C12CCN(Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000091650937 507999546 /nfs/dbraw/zinc/99/95/46/507999546.db2.gz BVSOAVOWASEDLN-UHFFFAOYSA-N 0 3 374.872 2.771 50 0 FFAAHN CNC(=O)N1CCC2(CC1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000075876034 508139795 /nfs/dbraw/zinc/13/97/95/508139795.db2.gz IIOLBHFFYGJJGX-UHFFFAOYSA-N 0 3 364.453 2.501 50 0 biogenic FFAAHN CN(C)Cc1cccc(C(=O)Nc2ccccc2CN2CCOCC2)c1 ZINC000081278536 508154992 /nfs/dbraw/zinc/15/49/92/508154992.db2.gz JCPFTXKSJHXGAU-UHFFFAOYSA-N 0 3 353.466 2.833 50 0 FFAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccn(C)c(=O)c2)cc1 ZINC000082097409 508225532 /nfs/dbraw/zinc/22/55/32/508225532.db2.gz RFVFCULZCOHFCI-LJQANCHMSA-N 0 3 353.466 2.814 50 0 FFAAHN CSc1ccccc1CN1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082157020 508227245 /nfs/dbraw/zinc/22/72/45/508227245.db2.gz MMRUBRCBALECNP-FQEVSTJZSA-N 0 3 362.539 2.996 50 0 FFAAHN O=C(CCCN1CCCC1=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000077386724 508308811 /nfs/dbraw/zinc/30/88/11/508308811.db2.gz CSQNSYKXRGWKQW-UHFFFAOYSA-N 0 3 371.525 2.556 50 0 FFAAHN COc1ccc2[nH]nc(CN3CCCC[C@@H]3CCN3CCOCC3)c2c1 ZINC000077406271 508311887 /nfs/dbraw/zinc/31/18/87/508311887.db2.gz JACATUBHPMZHHP-MRXNPFEDSA-N 0 3 358.486 2.648 50 0 FFAAHN COc1ccc2n[nH]c(CN3CCCC[C@@H]3CCN3CCOCC3)c2c1 ZINC000077406271 508311889 /nfs/dbraw/zinc/31/18/89/508311889.db2.gz JACATUBHPMZHHP-MRXNPFEDSA-N 0 3 358.486 2.648 50 0 FFAAHN CCc1ccc2nc(C)cc(C(=O)NCC[C@H](C)N3CCN(C)CC3)c2c1 ZINC000077523807 508327552 /nfs/dbraw/zinc/32/75/52/508327552.db2.gz ZAASTMRZZFDFEC-KRWDZBQOSA-N 0 3 368.525 2.861 50 0 FFAAHN COCCN1C[C@@]2(CCCN(Cc3ccc(-c4cc[nH]n4)o3)C2)CCC1=O ZINC000077540560 508330935 /nfs/dbraw/zinc/33/09/35/508330935.db2.gz APUIMFNMVBKBCU-FQEVSTJZSA-N 0 3 372.469 2.521 50 0 FFAAHN O=C(CCNC(=O)N1CCN(C2CCCCC2)CC1)Nc1ccccc1 ZINC000140440066 508805313 /nfs/dbraw/zinc/80/53/13/508805313.db2.gz OFZJYKKUZIBABT-UHFFFAOYSA-N 0 3 358.486 2.675 50 0 FFAAHN CN(Cc1ccccc1OCCN1CCN(C)CC1)C1CCSCC1 ZINC000216053515 509254847 /nfs/dbraw/zinc/25/48/47/509254847.db2.gz DUPNJFLORTTZAC-UHFFFAOYSA-N 0 3 363.571 2.640 50 0 FFAAHN COc1cc2c(cc1CN1CCC([C@H](O)c3nccn3C)CC1)CCC2 ZINC000215949373 509255962 /nfs/dbraw/zinc/25/59/62/509255962.db2.gz IZCVJLDRHCEJHU-FQEVSTJZSA-N 0 3 355.482 2.863 50 0 FFAAHN COCCc1noc([C@@H](C)NC(=O)C2(N3CCCCC3)CCCCC2)n1 ZINC000220115175 509296213 /nfs/dbraw/zinc/29/62/13/509296213.db2.gz SRJYHTBDRPHDHH-OAHLLOKOSA-N 0 3 364.490 2.625 50 0 FFAAHN CN(C)C[C@]1(CO)CCCN(C(=O)CSc2ccc(Cl)cc2)C1 ZINC000221235316 509306288 /nfs/dbraw/zinc/30/62/88/509306288.db2.gz PJZTXCNSCKCZNN-QGZVFWFLSA-N 0 3 356.919 2.595 50 0 FFAAHN O=C(c1cccs1)N1CCC(N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)CC1 ZINC000223174310 509331214 /nfs/dbraw/zinc/33/12/14/509331214.db2.gz VYDBZTMQIRMLDF-IDHHARJASA-N 0 3 371.506 2.850 50 0 FFAAHN O=S(=O)(NCC1CCN([C@H]2CCSC2)CC1)c1ccccc1Cl ZINC000225572736 509378261 /nfs/dbraw/zinc/37/82/61/509378261.db2.gz OAKQJWGHLRXPPW-AWEZNQCLSA-N 0 3 374.959 2.836 50 0 FFAAHN CCOC(=O)C1CCC(O)(CN(C)Cc2ccc(OC)cc2OC)CC1 ZINC000170613576 509682285 /nfs/dbraw/zinc/68/22/85/509682285.db2.gz WSXBHCGWQKFADB-UHFFFAOYSA-N 0 3 365.470 2.620 50 0 FFAAHN CNC(=O)c1cccc(CNC(=O)C2(N3CCCCC3)CCCCC2)c1 ZINC000244659499 509863231 /nfs/dbraw/zinc/86/32/31/509863231.db2.gz HDSUHBQGSQBSSC-UHFFFAOYSA-N 0 3 357.498 2.851 50 0 FFAAHN C[C@@H](C(=O)NCCN1CCCC[C@H]1C)N1c2ccccc2CCCC1=O ZINC000245239260 509886062 /nfs/dbraw/zinc/88/60/62/509886062.db2.gz GYDDIDNKWJGAID-SJORKVTESA-N 0 3 357.498 2.735 50 0 FFAAHN COc1ccc2c(c1)c(CN1CCOCCNC(=O)CC1)cn2C(C)C ZINC000257185816 509949660 /nfs/dbraw/zinc/94/96/60/509949660.db2.gz JVOXJSSSUHTVKE-UHFFFAOYSA-N 0 3 359.470 2.569 50 0 FFAAHN OCCN1CCC([C@H]2c3nccn3CCCN2Cc2ccccc2)CC1 ZINC000257188220 509950126 /nfs/dbraw/zinc/95/01/26/509950126.db2.gz DRIVANZXXBTJNM-FQEVSTJZSA-N 0 3 354.498 2.534 50 0 FFAAHN CN1CCC2(CC1)C[C@H](NC(=O)Cc1cncs1)c1ccccc1O2 ZINC000187115807 510064661 /nfs/dbraw/zinc/06/46/61/510064661.db2.gz XJUXDOYOJYODDB-INIZCTEOSA-N 0 3 357.479 2.790 50 0 FFAAHN CN1CC[C@@H](NC(=O)N2CCOc3cc(O)ccc3C2)[C@@H]1c1ccccc1 ZINC000332856336 511130329 /nfs/dbraw/zinc/13/03/29/511130329.db2.gz XUSRGJISLLQPDO-QUCCMNQESA-N 0 3 367.449 2.742 50 0 FFAAHN Cc1nc2ccc(NC(=O)N(CCN(C)C)C[C@H]3CCCO3)cc2nc1C ZINC000299764150 511673083 /nfs/dbraw/zinc/67/30/83/511673083.db2.gz WVRLRBDEICNOKY-QGZVFWFLSA-N 0 3 371.485 2.821 50 0 FFAAHN CSCCN1CCC(NC(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000299765527 511673361 /nfs/dbraw/zinc/67/33/61/511673361.db2.gz NXZYLMIWRDQBKS-UHFFFAOYSA-N 0 3 359.499 2.821 50 0 FFAAHN CC(=O)c1c(C)nn([C@@H](C)CC(=O)N2CCN(CC3CCCC3)CC2)c1C ZINC000299769697 511674520 /nfs/dbraw/zinc/67/45/20/511674520.db2.gz SZSFLDYPAUMMLR-HNNXBMFYSA-N 0 3 374.529 2.988 50 0 FFAAHN COCCN(Cc1c(C)nn(C)c1C)C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000299773476 511676228 /nfs/dbraw/zinc/67/62/28/511676228.db2.gz CGIYWVHUIOZMBM-SFHVURJKSA-N 0 3 370.497 2.538 50 0 FFAAHN O=C(NCCN1CCC[C@H](CO)C1)Nc1ccc(Oc2cccnc2)cc1 ZINC000299790705 511682130 /nfs/dbraw/zinc/68/21/30/511682130.db2.gz VLZIDZUZMJUQIY-INIZCTEOSA-N 0 3 370.453 2.700 50 0 FFAAHN O=C1CCN(C/C(Cl)=C/c2ccccc2)CCN1CCN1CCCC1 ZINC000299792817 511682286 /nfs/dbraw/zinc/68/22/86/511682286.db2.gz FWFXAMMJGVWGED-MNDPQUGUSA-N 0 3 361.917 2.896 50 0 FFAAHN CCN1CCCC[C@@H]1C(=O)NC1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC000299791815 511682700 /nfs/dbraw/zinc/68/27/00/511682700.db2.gz FZRMOUWBVSJFDG-LJQANCHMSA-N 0 3 365.468 2.920 50 0 FFAAHN CCc1noc(CCNC(=O)CC2CCN(Cc3ccccc3)CC2)n1 ZINC000299794555 511683965 /nfs/dbraw/zinc/68/39/65/511683965.db2.gz KLODDBQHYKOYKD-UHFFFAOYSA-N 0 3 356.470 2.593 50 0 FFAAHN COc1ccc(-c2ccc(C(=O)NCC3(O)CCN(C)CC3)cc2)cc1C ZINC000426428122 513937064 /nfs/dbraw/zinc/93/70/64/513937064.db2.gz QOMMZAYNUKKUQX-UHFFFAOYSA-N 0 3 368.477 2.857 50 0 FFAAHN CN1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)CC1 ZINC000426479085 513952748 /nfs/dbraw/zinc/95/27/48/513952748.db2.gz YBFHSUBBWSOTNO-HXUWFJFHSA-N 0 3 358.530 2.951 50 0 FFAAHN O=C(NCc1cc2cc(F)ccc2[nH]1)N1CCCO[C@@H](CN2CCCC2)C1 ZINC000426493361 513958544 /nfs/dbraw/zinc/95/85/44/513958544.db2.gz ZVNFBECDDMWAOG-SFHVURJKSA-N 0 3 374.460 2.703 50 0 FFAAHN CCOC(=O)c1ccc(-c2cccc(C(=O)N(C)[C@H]3CCN(C)C3)c2)nc1 ZINC000426530341 513970539 /nfs/dbraw/zinc/97/05/39/513970539.db2.gz AVLWBOQFLCXXNZ-SFHVURJKSA-N 0 3 367.449 2.701 50 0 FFAAHN CNS(=O)(=O)c1cccc([C@H](C)NC[C@H]2CCC3(CCCC3)O2)c1 ZINC000530411467 517760092 /nfs/dbraw/zinc/76/00/92/517760092.db2.gz RLYDTWVOUFHVKE-GOEBONIOSA-N 0 3 352.500 2.737 50 0 FFAAHN CN(C(=O)c1ccc(-c2ccc(Cl)c(C(N)=O)c2)cc1)[C@@H]1CCN(C)C1 ZINC000534584991 517952955 /nfs/dbraw/zinc/95/29/55/517952955.db2.gz ALHWFERVYCBBKI-MRXNPFEDSA-N 0 3 371.868 2.882 50 0 FFAAHN CN(C)[C@@H]1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc(=O)c4c3)cc2)C1 ZINC000534583440 517953067 /nfs/dbraw/zinc/95/30/67/517953067.db2.gz DLOXZLRAWAKJFH-GOSISDBHSA-N 0 3 361.445 2.971 50 0 FFAAHN Cc1noc([C@H](C)NC(=O)N(C)CC2CCN(Cc3ccccc3)CC2)n1 ZINC000584891888 518526757 /nfs/dbraw/zinc/52/67/57/518526757.db2.gz OYQZSGURRWEIJG-HNNXBMFYSA-N 0 3 371.485 2.993 50 0 FFAAHN CC(C)CCN1CCN(Cc2cnn(-c3ccccc3F)c2)C[C@@H]1CCO ZINC000019839189 519654378 /nfs/dbraw/zinc/65/43/78/519654378.db2.gz SPWCWRDODUGSRS-IBGZPJMESA-N 0 3 374.504 2.926 50 0 FFAAHN COc1ccc(C(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)cc1C ZINC000082120191 523711952 /nfs/dbraw/zinc/71/19/52/523711952.db2.gz FAHDBAUUGKIUPV-UHFFFAOYSA-N 0 3 370.497 2.992 50 0 FFAAHN CCc1ccc2occ(CC(=O)NCc3cc4n(n3)CCCNC4)c2c1 ZINC000082108303 524061831 /nfs/dbraw/zinc/06/18/31/524061831.db2.gz ADCZYZMUGVARGU-UHFFFAOYSA-N 0 3 352.438 2.544 50 0 FFAAHN C[C@@H](C1CCN(C(=O)CCc2cccc(F)c2)CC1)N1CCN(C)CC1 ZINC000082120760 524336195 /nfs/dbraw/zinc/33/61/95/524336195.db2.gz VCCNIYUWBAKCML-KRWDZBQOSA-N 0 3 361.505 2.633 50 0 FFAAHN Cc1c(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cnn1C ZINC000019792636 525705026 /nfs/dbraw/zinc/70/50/26/525705026.db2.gz USDOAXDTMLDKQQ-LJQANCHMSA-N 0 3 371.504 2.654 50 0 FFAAHN CSc1cccc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)c1 ZINC000082146533 526096661 /nfs/dbraw/zinc/09/66/61/526096661.db2.gz DVZXDOANSZLLPK-HXUWFJFHSA-N 0 3 362.539 2.996 50 0 FFAAHN CCCNc1ncc(CN2CCCC23CCN(c2ncccn2)CC3)cn1 ZINC000072424667 535206046 /nfs/dbraw/zinc/20/60/46/535206046.db2.gz JLPNCCMFOUNDIC-UHFFFAOYSA-N 0 3 367.501 2.724 50 0 FFAAHN CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1N1CCNCC1 ZINC000046085402 535715409 /nfs/dbraw/zinc/71/54/09/535715409.db2.gz DQYDUZBWYLNOAS-UHFFFAOYSA-N 0 3 353.344 2.840 50 0 FFAAHN CCc1cc(N2CCC(N3CC(c4ccccn4)C3)CC2)nc(N(C)C)n1 ZINC000095523861 536144923 /nfs/dbraw/zinc/14/49/23/536144923.db2.gz ZCXXXTMUQWZDAQ-UHFFFAOYSA-N 0 3 366.513 2.568 50 0 FFAAHN Cc1nnc([C@H]2OCC[C@H]2CNCc2conc2Cc2ccccc2)[nH]1 ZINC000685940111 571099461 /nfs/dbraw/zinc/09/94/61/571099461.db2.gz RDEMTZZUUHJUJS-YJBOKZPZSA-N 0 3 353.426 2.559 50 0 FFAAHN C[C@H](N[C@@H]1CCCC[C@@H]1CC1N=NC(=O)N1C)c1cc2n(n1)CCCC2 ZINC000685940461 571099680 /nfs/dbraw/zinc/09/96/80/571099680.db2.gz BBEOACXMSSZWAE-SQWLQELKSA-N 0 3 358.490 2.506 50 0 FFAAHN CN(C[C@@]1(C)CCN(C)C1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000952979709 740472759 /nfs/dbraw/zinc/47/27/59/740472759.db2.gz RHMNLPKAZLHPAF-AWEZNQCLSA-N 0 3 350.406 2.668 50 0 FFAAHN COCCc1nc(CO[C@@H]2CCCN(Cc3ccc4[nH]ccc4c3)C2)no1 ZINC000675017527 971491647 /nfs/dbraw/zinc/49/16/47/971491647.db2.gz VBICCZUERAZUOW-QGZVFWFLSA-N 0 3 370.453 2.921 50 0 FFAAHN O=C(COc1ccc(F)cc1)N(CCN1CCCCC1)C1CCOCC1 ZINC000675022628 971501795 /nfs/dbraw/zinc/50/17/95/971501795.db2.gz QVJJXEVISMWYLR-UHFFFAOYSA-N 0 3 364.461 2.698 50 0 FFAAHN C[C@H](Cc1ccccn1)NC(=O)N(Cc1ccncc1)C1CCN(C)CC1 ZINC000426433713 977985956 /nfs/dbraw/zinc/98/59/56/977985956.db2.gz WSHRVCLZWPWIGB-QGZVFWFLSA-N 0 3 367.497 2.714 50 0 FFAAHN O=C(NCCN1CCCCC1)[C@]12CCC=C1N(C1CCCC1)C(=O)CC2 ZINC000581822074 999949991 /nfs/dbraw/zinc/94/99/91/999949991.db2.gz PYFFNBKJKFVBRW-NRFANRHFSA-N 0 3 359.514 2.818 50 0 FFAAHN COc1ccc2c(c1)C=C(CN[C@H]1CCCc3nc(N(C)C)ncc31)CO2 ZINC000055224713 1018341610 /nfs/dbraw/zinc/34/16/10/1018341610.db2.gz MCWZYVJGPZGXIW-SFHVURJKSA-N 0 3 366.465 2.994 50 0 FFAAHN c1c(CN2CCN(C3Cc4ccccc4C3)CC2)nnn1-c1ccccc1 ZINC000072141978 1019825947 /nfs/dbraw/zinc/82/59/47/1019825947.db2.gz PREKPXXGRIWURB-UHFFFAOYSA-N 0 3 359.477 2.552 50 0 FFAAHN CCOc1ccc(CN2C[C@@H](Cc3cc(C)[nH]n3)[C@H](O)C2)c(OCC)c1C ZINC001529153016 1062192585 /nfs/dbraw/zinc/19/25/85/1062192585.db2.gz OXLBJGGYPGFXKW-IEBWSBKVSA-N 0 3 373.497 2.859 50 0 FFAAHN CCOc1ccc(CN2C[C@@H](Cc3cc(C)n[nH]3)[C@H](O)C2)c(OCC)c1C ZINC001529153016 1062192592 /nfs/dbraw/zinc/19/25/92/1062192592.db2.gz OXLBJGGYPGFXKW-IEBWSBKVSA-N 0 3 373.497 2.859 50 0 FFAAHN COc1c(CNCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)c(C)nn1C ZINC000237204011 209338837 /nfs/dbraw/zinc/33/88/37/209338837.db2.gz MZCFWHDMTSEPSZ-HZPDHXFCSA-N 0 3 372.513 2.636 50 0 FFAAHN O[C@@H]1CN(Cc2c[nH]c(CC3CCCC3)n2)CCN(Cc2ccccc2)C1 ZINC000108269843 209284117 /nfs/dbraw/zinc/28/41/17/209284117.db2.gz BPZWFYKBJMHAJH-NRFANRHFSA-N 0 3 368.525 2.821 50 0 FFAAHN O[C@@H]1CN(Cc2cnc(CC3CCCC3)[nH]2)CCN(Cc2ccccc2)C1 ZINC000108269843 209284121 /nfs/dbraw/zinc/28/41/21/209284121.db2.gz BPZWFYKBJMHAJH-NRFANRHFSA-N 0 3 368.525 2.821 50 0 FFAAHN Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)NCCN(C)C)c1 ZINC000010312703 219898966 /nfs/dbraw/zinc/89/89/66/219898966.db2.gz XNMSSRLHCVWVDN-UHFFFAOYSA-N 0 3 369.465 2.612 50 0 FFAAHN COc1ccc2nc(CCN(C)Cc3cnc(N4CCCC4)nc3)[nH]c2c1 ZINC000097775996 209197655 /nfs/dbraw/zinc/19/76/55/209197655.db2.gz ZTJAJXWOHRKDOE-UHFFFAOYSA-N 0 3 366.469 2.636 50 0 FFAAHN Cc1ccc([C@@H](NC(=O)C2CCN(CCO)CC2)c2cccnc2)cc1C ZINC000097675281 209191038 /nfs/dbraw/zinc/19/10/38/209191038.db2.gz KPMIJEBNRKXZLR-OAQYLSRUSA-N 0 3 367.493 2.608 50 0 FFAAHN O=C(CCN1CCCC1=O)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000097514308 209184532 /nfs/dbraw/zinc/18/45/32/209184532.db2.gz KPZLSRIWEWJGII-LJQANCHMSA-N 0 3 357.498 2.732 50 0 FFAAHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)/C=C\c1ccccc1F ZINC000097295140 209176811 /nfs/dbraw/zinc/17/68/11/209176811.db2.gz VHADWNYKUSKEQS-KHPPLWFESA-N 0 3 350.434 2.571 50 0 FFAAHN CCN(CC)Cc1cccc(NC(=O)N2CCC(N3CCOCC3)CC2)c1 ZINC000096164074 209129538 /nfs/dbraw/zinc/12/95/38/209129538.db2.gz PGVHDRDQYBKIPK-UHFFFAOYSA-N 0 3 374.529 2.857 50 0 FFAAHN CNC(=O)c1cccc(-c2ccccc2OC[C@H](O)CN2CCCCC2)c1 ZINC000096140136 209120197 /nfs/dbraw/zinc/12/01/97/209120197.db2.gz KQQZXCWFNZLZFP-LJQANCHMSA-N 0 3 368.477 2.939 50 0 FFAAHN CN(CCc1nc(-c2ccccc2)nn1CC(F)(F)F)[C@H]1CCN(C)C1 ZINC000096141302 209120105 /nfs/dbraw/zinc/12/01/05/209120105.db2.gz XXNDWTHGJBGTMZ-HNNXBMFYSA-N 0 3 367.419 2.686 50 0 FFAAHN O=C1C[C@H](NCCc2ccccc2)C(=O)N1c1ccc(Br)cc1 ZINC000004198972 207008474 /nfs/dbraw/zinc/00/84/74/207008474.db2.gz WRAJUVCFXVFUAZ-INIZCTEOSA-N 0 3 373.250 2.913 50 0 FFAAHN COc1ccc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000010450868 207300894 /nfs/dbraw/zinc/30/08/94/207300894.db2.gz KJZKNZOXRJPZCB-UHFFFAOYSA-N 0 3 354.450 2.855 50 0 FFAAHN CN(Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1)C[C@@H](O)CO ZINC000011818768 207323409 /nfs/dbraw/zinc/32/34/09/207323409.db2.gz CQNAUHNFQNSZEM-HXUWFJFHSA-N 0 3 357.498 2.920 50 0 FFAAHN CCOC(=O)[C@H]1CCCN(C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000011566384 207315558 /nfs/dbraw/zinc/31/55/58/207315558.db2.gz CUXRNHVITUJGQR-RBUKOAKNSA-N 0 3 357.450 2.855 50 0 FFAAHN O=C(NC[C@@H]1CCC2(CCN(Cc3ccc(O)cc3)CC2)O1)c1ccco1 ZINC000012026394 207334728 /nfs/dbraw/zinc/33/47/28/207334728.db2.gz OTSUHEFQXPCICQ-SFHVURJKSA-N 0 3 370.449 2.929 50 0 FFAAHN COc1ccc(-c2n[nH]cc2CN(C[C@@H]2CCC(=O)N2)C(C)C)c(F)c1 ZINC000012434187 207375749 /nfs/dbraw/zinc/37/57/49/207375749.db2.gz IMAVLOIUNFXFSE-AWEZNQCLSA-N 0 3 360.433 2.713 50 0 FFAAHN O=C(Cn1ncc2ccccc21)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012458939 207380074 /nfs/dbraw/zinc/38/00/74/207380074.db2.gz LYTQFZZCFSOLCV-FQEVSTJZSA-N 0 3 362.477 2.860 50 0 FFAAHN CC(=O)CC(C)(C)NC(=O)CCN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000032853351 208049446 /nfs/dbraw/zinc/04/94/46/208049446.db2.gz JVEPLKCYUYOERV-QGZVFWFLSA-N 0 3 373.497 2.601 50 0 FFAAHN CCc1ccc([C@@H](CNC(=O)c2cnn(-c3ccccc3)n2)N(C)C)cc1 ZINC000032674761 208035750 /nfs/dbraw/zinc/03/57/50/208035750.db2.gz WJVVBTAVSBYJAE-HXUWFJFHSA-N 0 3 363.465 2.862 50 0 FFAAHN COc1c(C)cc(-c2ccc3nc(C(=O)NCCN(C)C)cn3c2)cc1C ZINC000034831176 208111142 /nfs/dbraw/zinc/11/11/42/208111142.db2.gz YWLQTNQLXKSUJB-UHFFFAOYSA-N 0 3 366.465 2.918 50 0 FFAAHN COc1cc(C(=O)NC[C@H](C)N2CCC(C)CC2)cc(OC)c1OC ZINC000036077769 208143403 /nfs/dbraw/zinc/14/34/03/208143403.db2.gz SUCHGXPWHRNLPU-AWEZNQCLSA-N 0 3 350.459 2.563 50 0 FFAAHN O=C(CCOc1ccc(Cl)cc1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000046744965 208366127 /nfs/dbraw/zinc/36/61/27/208366127.db2.gz QJVRBCHYPDEFFH-SFHVURJKSA-N 0 3 366.889 2.822 50 0 FFAAHN CN(C)CCn1c2cc(NC(=O)CSc3ccccc3)ccc2oc1=O ZINC000058218964 208571499 /nfs/dbraw/zinc/57/14/99/208571499.db2.gz OFKKTXAEKIYMKL-UHFFFAOYSA-N 0 3 371.462 2.887 50 0 FFAAHN CCN(CC)Cc1cc([C@@H]2CC(=O)NCc3nc(N)sc32)ccc1OC ZINC000065529447 208689578 /nfs/dbraw/zinc/68/95/78/208689578.db2.gz OOBQFUILRJQDEM-AWEZNQCLSA-N 0 3 374.510 2.728 50 0 FFAAHN CCc1nn(C)c(Cl)c1CN1CC[C@@]2(C1)CCCN(C(C)C)C2=O ZINC000091896147 209004134 /nfs/dbraw/zinc/00/41/34/209004134.db2.gz CYJYCXCHKYFZIE-GOSISDBHSA-N 0 3 352.910 2.859 50 0 FFAAHN O=C1[C@H]2CC[C@H](CN(C3CSCCSC3)C2)N1Cc1ccccc1 ZINC000092038980 209012390 /nfs/dbraw/zinc/01/23/90/209012390.db2.gz IEBXLUZQIHHZGY-DLBZAZTESA-N 0 3 362.564 2.958 50 0 FFAAHN CCN(CCN1CCCCCC1)C(=O)[C@@H]1CC(=O)Nc2ccc(F)cc21 ZINC000092036904 209013649 /nfs/dbraw/zinc/01/36/49/209013649.db2.gz JVYJGYBOYGQZSS-QGZVFWFLSA-N 0 3 361.461 2.976 50 0 FFAAHN Cc1cc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)on1 ZINC000095357377 209025605 /nfs/dbraw/zinc/02/56/05/209025605.db2.gz XGJBHJGGYZYDMG-IOMROCGXSA-N 0 3 367.449 2.774 50 0 FFAAHN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000095361995 209029753 /nfs/dbraw/zinc/02/97/53/209029753.db2.gz IODYURMJOHXLRY-NVXWUHKLSA-N 0 3 370.415 2.817 50 0 FFAAHN O=C(NCc1nncn1C1CCCCC1)C1CCN(Cc2ccco2)CC1 ZINC000095367044 209030865 /nfs/dbraw/zinc/03/08/65/209030865.db2.gz INFAZAUDDXZWFJ-UHFFFAOYSA-N 0 3 371.485 2.905 50 0 FFAAHN OC[C@@]12CN(Cc3cnc(N4CCCC4)s3)C[C@@H]1c1ccccc1OC2 ZINC000095370882 209034882 /nfs/dbraw/zinc/03/48/82/209034882.db2.gz LZTIEKNDTUSPPR-YLJYHZDGSA-N 0 3 371.506 2.714 50 0 FFAAHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000095371124 209035448 /nfs/dbraw/zinc/03/54/48/209035448.db2.gz PRWKGFYKNVMTRC-NRFANRHFSA-N 0 3 371.525 2.609 50 0 FFAAHN O=C(Nc1ccc2occc(=O)c2c1)N1CCC(N2CCSCC2)CC1 ZINC000095499569 209061233 /nfs/dbraw/zinc/06/12/33/209061233.db2.gz XCLHNMOZSAHVLC-UHFFFAOYSA-N 0 3 373.478 2.838 50 0 FFAAHN CN(C[C@H]1Cc2ccccc2CN1C)c1cc(C(=O)N2CCCC2)ccn1 ZINC000095501458 209063906 /nfs/dbraw/zinc/06/39/06/209063906.db2.gz CVRKBVMYHIHFDO-HXUWFJFHSA-N 0 3 364.493 2.811 50 0 FFAAHN OCc1ccccc1CN1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095503904 209064025 /nfs/dbraw/zinc/06/40/25/209064025.db2.gz HOWAQNBTTWWSDZ-LJQANCHMSA-N 0 3 366.505 2.938 50 0 FFAAHN CN(C)CCN(Cc1ccco1)C(=O)Nc1cn(C)nc1C(F)(F)F ZINC000095942279 209088470 /nfs/dbraw/zinc/08/84/70/209088470.db2.gz AUWCKWJAYZDHLL-UHFFFAOYSA-N 0 3 359.352 2.628 50 0 FFAAHN COc1cccc(F)c1C(=O)N1CCC[C@@H](c2nccn2CCN(C)C)C1 ZINC000095511540 209068284 /nfs/dbraw/zinc/06/82/84/209068284.db2.gz TYUXTCMKNKQJBX-OAHLLOKOSA-N 0 3 374.460 2.612 50 0 FFAAHN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(CCO)CC1 ZINC000095518840 209072845 /nfs/dbraw/zinc/07/28/45/209072845.db2.gz HVDLDBJMYCXABP-UHFFFAOYSA-N 0 3 364.449 2.873 50 0 FFAAHN CCCN1CCc2nc[nH]c2C12CCN(C1CSCCSC1)CC2 ZINC000095520536 209072510 /nfs/dbraw/zinc/07/25/10/209072510.db2.gz HEYZTNKKPZMRPW-UHFFFAOYSA-N 0 3 366.600 2.818 50 0 FFAAHN Cc1ccc2cc(CN3CCCCC3)c(N3CCN(CCO)CC3)nc2c1 ZINC000222997214 132278427 /nfs/dbraw/zinc/27/84/27/132278427.db2.gz SZBVNGLWOVJOBA-UHFFFAOYSA-N 0 3 368.525 2.643 50 0 FFAAHN O=C(C1CCN(c2ccncc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000033128929 136117469 /nfs/dbraw/zinc/11/74/69/136117469.db2.gz KZHBHOWWKHSPNI-UHFFFAOYSA-N 0 3 350.466 2.647 50 0 FFAAHN CN(C)Cc1cccc(C[N@@H+]2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)c1 ZINC000095522723 209073640 /nfs/dbraw/zinc/07/36/40/209073640.db2.gz RLXSKHRVEWWOAA-DENIHFKCSA-N 0 3 366.461 2.811 50 0 FFAAHN CN(C)Cc1cccc(C[N@H+]2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)c1 ZINC000095522723 209073643 /nfs/dbraw/zinc/07/36/43/209073643.db2.gz RLXSKHRVEWWOAA-DENIHFKCSA-N 0 3 366.461 2.811 50 0 FFAAHN COCCN1CCC(CN(Cc2ccncc2)C(=O)c2cc[nH]c2C)CC1 ZINC000095522665 209074758 /nfs/dbraw/zinc/07/47/58/209074758.db2.gz TURGNAFBNGPZTJ-UHFFFAOYSA-N 0 3 370.497 2.719 50 0 FFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1COc2ccccc2O1 ZINC000000797013 506233275 /nfs/dbraw/zinc/23/32/75/506233275.db2.gz RDOZZKMGMCJBJF-FQEVSTJZSA-N 0 3 352.434 2.607 50 0 FFAAHN CCN1CCN(CCCNC(=O)c2ccc3nc(C(C)C)oc3c2)CC1 ZINC000064968366 506245002 /nfs/dbraw/zinc/24/50/02/506245002.db2.gz WDVVZBIHRAAUEY-UHFFFAOYSA-N 0 3 358.486 2.709 50 0 FFAAHN Cc1nn(C)cc1CN1CCC[C@@H](c2nncn2Cc2ccccc2)C1 ZINC000065287787 506282843 /nfs/dbraw/zinc/28/28/43/506282843.db2.gz XTQFITZXYUQSCQ-GOSISDBHSA-N 0 3 350.470 2.748 50 0 FFAAHN CN(C)[C@H](CNC(=O)CSc1nnc(-c2ccco2)o1)c1ccccc1 ZINC000002623670 506285499 /nfs/dbraw/zinc/28/54/99/506285499.db2.gz MCOGYJKVEWZQRB-CQSZACIVSA-N 0 3 372.450 2.841 50 0 FFAAHN C[C@@H]1C[C@H](C)CN(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000032929496 506314908 /nfs/dbraw/zinc/31/49/08/506314908.db2.gz QWWSCMPFTVIEDV-BETUJISGSA-N 0 3 364.433 2.962 50 0 FFAAHN C[C@@H](NC(=O)CN1CCCN(C2CC2)CC1)c1ccc2c(c1)CCCC2 ZINC000065550069 506320509 /nfs/dbraw/zinc/32/05/09/506320509.db2.gz LVRPSQUDGOICEG-QGZVFWFLSA-N 0 3 355.526 2.913 50 0 FFAAHN COc1cccc2c1OCC(CN1CCN(CCC(C)C)[C@H](CCO)C1)=C2 ZINC000036385617 506404770 /nfs/dbraw/zinc/40/47/70/506404770.db2.gz AKWDAVHUMIQZIO-HXUWFJFHSA-N 0 3 374.525 2.886 50 0 FFAAHN C[C@H](NC[C@H](O)COc1ccc2ccccc2c1)[C@@H](O)c1ccc(O)cc1 ZINC000006083743 506466959 /nfs/dbraw/zinc/46/69/59/506466959.db2.gz JMVYEBIJCGPPPF-GJULWVSJSA-N 0 3 367.445 2.997 50 0 FFAAHN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCN(C)C)c(C)c21 ZINC000008880028 506670708 /nfs/dbraw/zinc/67/07/08/506670708.db2.gz ULGXJUDPZGASGE-UHFFFAOYSA-N 0 3 356.422 2.685 50 0 biogenic FFAAHN CCc1noc(CN(C(=O)[C@H]2CCCN(Cc3ccco3)C2)C(C)C)n1 ZINC000055325393 506727431 /nfs/dbraw/zinc/72/74/31/506727431.db2.gz XTCWWYMPOGXDAA-HNNXBMFYSA-N 0 3 360.458 2.874 50 0 FFAAHN CCN1CCN(c2ccc(NC(=O)c3cc(C(C)=O)c[nH]3)cc2C)CC1 ZINC000011324199 506770870 /nfs/dbraw/zinc/77/08/70/506770870.db2.gz YFFVSMQRLUSUEV-UHFFFAOYSA-N 0 3 354.454 2.920 50 0 FFAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)Cn1cccn1 ZINC000012072804 506811519 /nfs/dbraw/zinc/81/15/19/506811519.db2.gz CXYAYQYKAAQPNN-LJQANCHMSA-N 0 3 372.488 2.825 50 0 FFAAHN Cc1cc(N2CCN(C(=O)c3[nH]nc4ccccc43)CC2)nc(C(C)C)n1 ZINC000012525315 506872126 /nfs/dbraw/zinc/87/21/26/506872126.db2.gz SUSRITSMNMUFGA-UHFFFAOYSA-N 0 3 364.453 2.747 50 0 FFAAHN CCOC(=O)[C@@H]1CCCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000013145987 506930907 /nfs/dbraw/zinc/93/09/07/506930907.db2.gz NIBHEJHGWJBWBW-QWFCFKBJSA-N 0 3 361.482 2.717 50 0 FFAAHN CCNc1cc(N2CCN(C(=O)CCCc3ccccc3)CC2)nc(C)n1 ZINC000067613639 506950170 /nfs/dbraw/zinc/95/01/70/506950170.db2.gz CULGMIDHQHHFHT-UHFFFAOYSA-N 0 3 367.497 2.888 50 0 FFAAHN Cc1cccnc1CCNC[C@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067673433 506970418 /nfs/dbraw/zinc/97/04/18/506970418.db2.gz RZWHFJOCWCJAJC-JOCHJYFZSA-N 0 3 373.541 2.846 50 0 FFAAHN CN1CCN(C)C2(CCN(C(=O)[C@]3(c4cccs4)CC3(C)C)CC2)C1 ZINC000067739777 506993901 /nfs/dbraw/zinc/99/39/01/506993901.db2.gz SXXXRTPWRANJFA-HXUWFJFHSA-N 0 3 361.555 2.654 50 0 FFAAHN COc1ccc(CN2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3C)cc1 ZINC000014744616 506998989 /nfs/dbraw/zinc/99/89/89/506998989.db2.gz GBURAURGZNHQFV-UHFFFAOYSA-N 0 3 359.470 2.580 50 0 FFAAHN CC(C)n1cc(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)cn1 ZINC000014949679 507007669 /nfs/dbraw/zinc/00/76/69/507007669.db2.gz VTQOMDMVGMIKDV-IBGZPJMESA-N 0 3 362.518 2.751 50 0 FFAAHN O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CNC1(c2ccccc2)CC1 ZINC000014968528 507009660 /nfs/dbraw/zinc/00/96/60/507009660.db2.gz KTUYCIHCFOPIDX-QFIPXVFZSA-N 0 3 368.452 2.958 50 0 FFAAHN Cc1ncc2c(c1-c1noc([C@]34CC[C@](C)([C@@H](O)C3)C4(C)C)n1)CCNC2 ZINC000067872551 507032934 /nfs/dbraw/zinc/03/29/34/507032934.db2.gz QFNGELVSSHJOIK-RVHYNSKXSA-N 0 3 368.481 2.914 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N(C)Cc3csc(C)n3)cnn2c1 ZINC000067909278 507047741 /nfs/dbraw/zinc/04/77/41/507047741.db2.gz LWJUCRCXRLRPSE-UHFFFAOYSA-N 0 3 372.498 2.608 50 0 FFAAHN COc1ccccc1OCc1cc(C(=O)N(C)C[C@@H]2CCCCN2C)no1 ZINC000067908663 507048565 /nfs/dbraw/zinc/04/85/65/507048565.db2.gz YRMCRGFJAJFLSZ-HNNXBMFYSA-N 0 3 373.453 2.819 50 0 FFAAHN CCOc1cc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)ccc1OC ZINC000019228350 507159124 /nfs/dbraw/zinc/15/91/24/507159124.db2.gz AWISNNBYGPGURX-IBGZPJMESA-N 0 3 362.514 2.905 50 0 FFAAHN COc1c(C)cc(C(=O)N2CCC(n3cc(C(C)(C)N)nn3)CC2)cc1C ZINC000020385864 507220363 /nfs/dbraw/zinc/22/03/63/507220363.db2.gz DZKWZWUZXVIUCL-UHFFFAOYSA-N 0 3 371.485 2.575 50 0 FFAAHN COC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000020518247 507225732 /nfs/dbraw/zinc/22/57/32/507225732.db2.gz FHJDBYQJWCLCBS-LJQANCHMSA-N 0 3 371.481 2.816 50 0 FFAAHN CN(C)[C@H](CNC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccccc1 ZINC000022315340 507289179 /nfs/dbraw/zinc/28/91/79/507289179.db2.gz VELVQVQPBDCZIC-AZUAARDMSA-N 0 3 365.477 2.997 50 0 FFAAHN CC(=O)N1CCC(NC(=O)CN(CC2CC2)[C@@H](C)c2ccccc2)CC1 ZINC000058200854 507384157 /nfs/dbraw/zinc/38/41/57/507384157.db2.gz IBEWRKOBQWMRHE-INIZCTEOSA-N 0 3 357.498 2.587 50 0 FFAAHN C=C1c2ccccc2C(=O)N1CC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000058209706 507385273 /nfs/dbraw/zinc/38/52/73/507385273.db2.gz SPGDHYDMOMOBQP-UHFFFAOYSA-N 0 3 367.449 2.605 50 0 FFAAHN COc1cccc(CN2CCC(NC(=O)c3ccnc(N(C)C)c3)CC2)c1 ZINC000058246441 507393712 /nfs/dbraw/zinc/39/37/12/507393712.db2.gz WIEGRMSWKDOXQB-UHFFFAOYSA-N 0 3 368.481 2.551 50 0 FFAAHN Cc1nn(C)c(C)c1/C=C/C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000058300088 507402926 /nfs/dbraw/zinc/40/29/26/507402926.db2.gz YZQKRZVCYQNGOP-ZHACJKMWSA-N 0 3 358.461 2.780 50 0 FFAAHN COc1ccc([C@H](CNC(=O)Nc2nnc(C3CC3)s2)N(C)C)cc1 ZINC000058857589 507471867 /nfs/dbraw/zinc/47/18/67/507471867.db2.gz YVFWTROYCIXDRH-AWEZNQCLSA-N 0 3 361.471 2.849 50 0 FFAAHN C[N@H+](CCC[N-]S(=O)(=O)c1ccc(F)cc1F)Cc1ccccc1 ZINC000048325176 507501314 /nfs/dbraw/zinc/50/13/14/507501314.db2.gz VDMDCNVHPQAOJS-UHFFFAOYSA-N 0 3 354.422 2.765 50 0 FFAAHN C[N@@H+](CCC[N-]S(=O)(=O)c1ccc(F)cc1F)Cc1ccccc1 ZINC000048325176 507501321 /nfs/dbraw/zinc/50/13/21/507501321.db2.gz VDMDCNVHPQAOJS-UHFFFAOYSA-N 0 3 354.422 2.765 50 0 FFAAHN O=C(NCc1cc(Br)ccc1F)N1CCCN(C2CC2)CC1 ZINC000061864892 507644260 /nfs/dbraw/zinc/64/42/60/507644260.db2.gz RTHDIJJDGLVLGA-UHFFFAOYSA-N 0 3 370.266 2.968 50 0 FFAAHN Cc1ccc(-c2ccnc(N[C@H]3COC[C@@H]3N3CCCCC3)n2)c(C)n1 ZINC000071639416 507708969 /nfs/dbraw/zinc/70/89/69/507708969.db2.gz NWSQEPCLYDSLAQ-OALUTQOASA-N 0 3 353.470 2.821 50 0 FFAAHN Cc1ncc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c(C)n1 ZINC000071747095 507710545 /nfs/dbraw/zinc/71/05/45/507710545.db2.gz NVMFGSZRGZHDAR-NJDAHSKKSA-N 0 3 362.477 2.796 50 0 FFAAHN CCN(CC)[C@H](CNc1nc(C)nc2c1CCN(C(C)=O)C2)c1ccco1 ZINC000071774837 507715694 /nfs/dbraw/zinc/71/56/94/507715694.db2.gz GFFMDTRTTBPCJG-GOSISDBHSA-N 0 3 371.485 2.778 50 0 FFAAHN Cc1ncc(CO)c(CN(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1[O-] ZINC000072124086 507751418 /nfs/dbraw/zinc/75/14/18/507751418.db2.gz YVRFXDQMLPYCFN-FQEVSTJZSA-N 0 3 369.509 2.727 50 0 FFAAHN Cc1ncc(CO)c(CN(C)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1[O-] ZINC000072124086 507751422 /nfs/dbraw/zinc/75/14/22/507751422.db2.gz YVRFXDQMLPYCFN-FQEVSTJZSA-N 0 3 369.509 2.727 50 0 FFAAHN C[C@H]1CN(C)CCCN1C(=O)c1cc(-c2cnn(C)c2)nc2ccccc21 ZINC000063844997 507775401 /nfs/dbraw/zinc/77/54/01/507775401.db2.gz WHZQGVOMOIOJGN-HNNXBMFYSA-N 0 3 363.465 2.802 50 0 FFAAHN CNc1nc(C(=O)N(CCc2ccccc2)C2CCN(C)CC2)cs1 ZINC000072427834 507789265 /nfs/dbraw/zinc/78/92/65/507789265.db2.gz XWSNUJOOBUXKAJ-UHFFFAOYSA-N 0 3 358.511 2.964 50 0 FFAAHN CSc1ncc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cn1 ZINC000072433483 507790429 /nfs/dbraw/zinc/79/04/29/507790429.db2.gz LAKOFSATGDIGHY-UHFFFAOYSA-N 0 3 368.506 2.861 50 0 FFAAHN Cc1cc(C)c(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(=O)[nH]1 ZINC000072472939 507795689 /nfs/dbraw/zinc/79/56/89/507795689.db2.gz FWVWRLHQWJZZBL-UHFFFAOYSA-N 0 3 369.509 2.718 50 0 FFAAHN CC(C)(C)c1ccccc1OCC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000079110188 507933785 /nfs/dbraw/zinc/93/37/85/507933785.db2.gz WJZKNLASIREDJV-QGZVFWFLSA-N 0 3 360.498 2.732 50 0 FFAAHN CC(C)N(CC(=O)N[C@@H](c1nccs1)c1ccccc1)CC(C)(C)O ZINC000079109271 507933823 /nfs/dbraw/zinc/93/38/23/507933823.db2.gz GVZOYDJVQVZNNZ-QGZVFWFLSA-N 0 3 361.511 2.830 50 0 FFAAHN Cc1cc(C(=O)N(C)Cc2ccccc2CN2CCCC2)c(=O)[nH]c1C ZINC000091381127 507982913 /nfs/dbraw/zinc/98/29/13/507982913.db2.gz XBFXPWVFMAQFIE-UHFFFAOYSA-N 0 3 353.466 2.860 50 0 FFAAHN N[C@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)C[C@@H]1c1ccccc1 ZINC000091435266 507985688 /nfs/dbraw/zinc/98/56/88/507985688.db2.gz WZYONJDSIVXPMN-MOPGFXCFSA-N 0 3 359.429 2.609 50 0 FFAAHN CC(C)CN1CCc2nc[nH]c2C12CCN(C(=O)c1cscn1)CC2 ZINC000091616979 507996197 /nfs/dbraw/zinc/99/61/97/507996197.db2.gz XGHILXLYSBUXMI-UHFFFAOYSA-N 0 3 359.499 2.512 50 0 FFAAHN O=C(C(=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2)c1ccccc1 ZINC000091645103 507999595 /nfs/dbraw/zinc/99/95/95/507999595.db2.gz GFUVJSZEKGVDEO-LAUBAEHRSA-N 0 3 374.484 2.960 50 0 FFAAHN Cc1nc(C2CCN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)no1 ZINC000092787852 508101100 /nfs/dbraw/zinc/10/11/00/508101100.db2.gz QERPMJGWCBHJGS-UHFFFAOYSA-N 0 3 367.453 2.555 50 0 FFAAHN O=C(c1ccc(Cl)c(Cl)c1)N1CCN([C@H]2CN3CCC2CC3)CC1 ZINC000077337353 508301388 /nfs/dbraw/zinc/30/13/88/508301388.db2.gz QPMIUKNEHHIIMO-KRWDZBQOSA-N 0 3 368.308 2.845 50 0 FFAAHN Cn1ccnc1CC[C@@H]1CCCCN1Cc1cnc(N2CCCC2)nc1 ZINC000077408106 508312803 /nfs/dbraw/zinc/31/28/03/508312803.db2.gz WCQMQMHWJRVGHB-SFHVURJKSA-N 0 3 354.502 2.798 50 0 FFAAHN CCO[C@@H]1COCC[C@H]1NC(=O)c1cccc(CN2CCCCCC2)c1 ZINC000223023423 509328869 /nfs/dbraw/zinc/32/88/69/509328869.db2.gz OHZWSZZCGBFBQZ-WOJBJXKFSA-N 0 3 360.498 2.986 50 0 FFAAHN Cc1cc(S(=O)(=O)NCC2CCN([C@@H]3CCSC3)CC2)ccc1F ZINC000225572617 509378030 /nfs/dbraw/zinc/37/80/30/509378030.db2.gz HJTKWIRHNVUENE-OAHLLOKOSA-N 0 3 372.531 2.630 50 0 FFAAHN COc1cc(NC(=O)CCN2CCC[C@@H](c3nccn3C)C2)cc(OC)c1 ZINC000252483769 509840800 /nfs/dbraw/zinc/84/08/00/509840800.db2.gz FHZZZWYPOKANSO-OAHLLOKOSA-N 0 3 372.469 2.646 50 0 FFAAHN O=C(CCN1CCC(O)(c2ccccc2)CC1)NCc1ccccc1F ZINC000244724088 509867402 /nfs/dbraw/zinc/86/74/02/509867402.db2.gz MNIDPGRXVHXYJX-UHFFFAOYSA-N 0 3 356.441 2.816 50 0 FFAAHN COc1cccc([C@@H]2CCN(CCC(=O)Nc3cccnc3)C2)c1OC ZINC000244724600 509867563 /nfs/dbraw/zinc/86/75/63/509867563.db2.gz MXBPNSOEQCLHHD-OAHLLOKOSA-N 0 3 355.438 2.917 50 0 FFAAHN Cc1cc(C)n([C@H]2CCN(CCN3CCN(Cc4ccccc4)CC3)C2)n1 ZINC000244828584 509870885 /nfs/dbraw/zinc/87/08/85/509870885.db2.gz TYVIYZJNUBKAKU-QFIPXVFZSA-N 0 3 367.541 2.565 50 0 FFAAHN O=C(CCN1CCN([C@@H]2CCc3ccccc3C2)CC1)Nc1nccs1 ZINC000244899368 509875456 /nfs/dbraw/zinc/87/54/56/509875456.db2.gz ZIQMZLYPYDNTCM-GOSISDBHSA-N 0 3 370.522 2.647 50 0 FFAAHN CO[C@H]1CN(C2CCN(C(=O)CC3CCCCC3)CC2)C12CCOCC2 ZINC000257182812 509948172 /nfs/dbraw/zinc/94/81/72/509948172.db2.gz QDYPPNASRIEAMU-IBGZPJMESA-N 0 3 364.530 2.828 50 0 FFAAHN CCn1cc(CN2CCC3(CC[C@@H]3OCc3nc(C)no3)CC2)c(C)n1 ZINC000257190062 509952225 /nfs/dbraw/zinc/95/22/25/509952225.db2.gz LAZFCDCCBOSBBX-KRWDZBQOSA-N 0 3 359.474 2.864 50 0 FFAAHN CS(=O)(=O)CC1(CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000181225403 510310015 /nfs/dbraw/zinc/31/00/15/510310015.db2.gz CWVUDHJXTIDABK-CQSZACIVSA-N 0 3 363.401 2.987 50 0 FFAAHN Cc1ccc(C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)nn1 ZINC000334017994 511426797 /nfs/dbraw/zinc/42/67/97/511426797.db2.gz BWOBWRUNOZRCEH-KRWDZBQOSA-N 0 3 352.438 2.503 50 0 FFAAHN COCCN1CCC(CN(C)C(=O)Nc2ccc3[nH]c(C)nc3c2)CC1 ZINC000299759740 511671610 /nfs/dbraw/zinc/67/16/10/511671610.db2.gz RBXGQBKQNRFCFP-UHFFFAOYSA-N 0 3 359.474 2.693 50 0 FFAAHN CN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1cccn2cnnc12 ZINC000299762672 511671725 /nfs/dbraw/zinc/67/17/25/511671725.db2.gz WDLLWQVODVVKSK-UHFFFAOYSA-N 0 3 363.465 2.714 50 0 FFAAHN O=C(NCCN1CCCC[C@@H]1CO)Nc1ccccc1Oc1cccnc1 ZINC000299765071 511673105 /nfs/dbraw/zinc/67/31/05/511673105.db2.gz ULXXYIIASWMCJM-MRXNPFEDSA-N 0 3 370.453 2.842 50 0 FFAAHN Cc1cc(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)n(C2CCCC2)n1 ZINC000299793038 511682521 /nfs/dbraw/zinc/68/25/21/511682521.db2.gz IXBZHAYSUJYQKX-KRWDZBQOSA-N 0 3 363.506 2.881 50 0 FFAAHN Cn1nc2c(c1C(=O)NC1CCN(CCc3ccccc3)CC1)CCCC2 ZINC000299797637 511684429 /nfs/dbraw/zinc/68/44/29/511684429.db2.gz OIFPEPUQPKISLA-UHFFFAOYSA-N 0 3 366.509 2.736 50 0 FFAAHN Cc1cccc(-c2ccc(C(=O)N3CCC[C@](O)(CN(C)C)C3)cc2)n1 ZINC000426428784 513937878 /nfs/dbraw/zinc/93/78/78/513937878.db2.gz NHEMCTMFGFPKDC-NRFANRHFSA-N 0 3 353.466 2.586 50 0 FFAAHN COCCN1CCC(CN(C)C(=O)N[C@H](C)Cc2cccs2)CC1 ZINC000426504479 513962296 /nfs/dbraw/zinc/96/22/96/513962296.db2.gz MHGZEEJLGTXYJK-OAHLLOKOSA-N 0 3 353.532 2.679 50 0 FFAAHN CN(Cc1cccc2c1OC(F)(F)O2)C1CCN(c2cnccn2)CC1 ZINC000562741802 517358299 /nfs/dbraw/zinc/35/82/99/517358299.db2.gz LFXDKHNWEHJSMQ-UHFFFAOYSA-N 0 3 362.380 2.899 50 0 FFAAHN COc1ccc(-c2noc([C@H](C)NC(=O)N(C)CCN3CCCC3)n2)cc1 ZINC000534587305 517954091 /nfs/dbraw/zinc/95/40/91/517954091.db2.gz WMRZHHRBCIHHSV-AWEZNQCLSA-N 0 3 373.457 2.543 50 0 FFAAHN COc1ccccc1OC1CN(C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000534587823 517954282 /nfs/dbraw/zinc/95/42/82/517954282.db2.gz FIWMNOWNBQCERJ-UHFFFAOYSA-N 0 3 369.465 2.730 50 0 FFAAHN O=c1c2sc(-c3ccccc3)cc2ncn1C[C@H]1CCCN(CCO)C1 ZINC000584889787 518524578 /nfs/dbraw/zinc/52/45/78/518524578.db2.gz WUGKABLTNGVNOY-HNNXBMFYSA-N 0 3 369.490 2.829 50 0 FFAAHN CC(C)N1CCN(Cc2ccc(Oc3ncccn3)cc2)C[C@@H]1CCO ZINC000020782808 519682978 /nfs/dbraw/zinc/68/29/78/519682978.db2.gz GKJNVSMVTWGGQJ-SFHVURJKSA-N 0 3 356.470 2.546 50 0 FFAAHN CCCCc1nc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)c[nH]1 ZINC000020997094 521299069 /nfs/dbraw/zinc/29/90/69/521299069.db2.gz KYVUELLBDCAXGB-NRFANRHFSA-N 0 3 370.541 2.864 50 0 FFAAHN CCCCc1ncc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)[nH]1 ZINC000020997094 521299077 /nfs/dbraw/zinc/29/90/77/521299077.db2.gz KYVUELLBDCAXGB-NRFANRHFSA-N 0 3 370.541 2.864 50 0 FFAAHN CCOC(=O)Cc1cnc(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000594369249 521578830 /nfs/dbraw/zinc/57/88/30/521578830.db2.gz GQSOEFJLFCVSFE-OAHLLOKOSA-N 0 3 373.478 2.709 50 0 FFAAHN CN(C)CCn1ccnc1C1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000091487188 521821567 /nfs/dbraw/zinc/82/15/67/521821567.db2.gz AEXMQMKMYRYQHK-UHFFFAOYSA-N 0 3 359.449 2.995 50 0 FFAAHN Cc1ccccc1OCC(=O)N1CCC(c2nccn2CCN(C)C)CC1 ZINC000091562791 525275939 /nfs/dbraw/zinc/27/59/39/525275939.db2.gz NYQUJPOLKVCLMN-UHFFFAOYSA-N 0 3 370.497 2.538 50 0 FFAAHN C[S@@](=O)Cc1cccc(C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000046362565 525371066 /nfs/dbraw/zinc/37/10/66/525371066.db2.gz BKXZDYZDOLGNEA-SANMLTNESA-N 0 3 370.518 2.743 50 0 FFAAHN COc1cccc(C)c1C(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 ZINC000082091386 525842381 /nfs/dbraw/zinc/84/23/81/525842381.db2.gz VXXMQNPNDWZRGO-UHFFFAOYSA-N 0 3 370.497 2.992 50 0 FFAAHN CSc1cccc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)c1 ZINC000082146531 526095778 /nfs/dbraw/zinc/09/57/78/526095778.db2.gz DVZXDOANSZLLPK-FQEVSTJZSA-N 0 3 362.539 2.996 50 0 FFAAHN Cc1cc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)c(=O)[nH]c1C ZINC000091643612 526267220 /nfs/dbraw/zinc/26/72/20/526267220.db2.gz SFWULJRVTINHKX-GOSISDBHSA-N 0 3 353.466 2.601 50 0 FFAAHN O=C(CCN1CCCCC1=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000091486926 526483767 /nfs/dbraw/zinc/48/37/67/526483767.db2.gz QAIUWNVIUZVLCM-WOJBJXKFSA-N 0 3 369.509 2.512 50 0 FFAAHN O=C1C[C@H](NCc2cc(=O)c3ccccc3[nH]2)CN1Cc1ccc(F)cc1 ZINC000020256839 527028437 /nfs/dbraw/zinc/02/84/37/527028437.db2.gz GWJIIVJISXBMMJ-KRWDZBQOSA-N 0 3 365.408 2.558 50 0 FFAAHN Cc1nc2ccccn2c1C(=O)NC[C@@H](c1ccc2c(c1)CCO2)N(C)C ZINC000090607238 527175273 /nfs/dbraw/zinc/17/52/73/527175273.db2.gz MOXYJLUYXKALQY-KRWDZBQOSA-N 0 3 364.449 2.610 50 0 FFAAHN Cc1ncc2c(c1-c1noc(Cn3ccnc3-c3ccccc3)n1)CCNC2 ZINC000020994901 527316497 /nfs/dbraw/zinc/31/64/97/527316497.db2.gz ISRWXNDPOOEOEU-UHFFFAOYSA-N 0 3 372.432 2.998 50 0 FFAAHN OCC[C@@H]1CN(Cc2cc(F)ccc2-n2cccn2)CCN1C1CCCC1 ZINC000020599550 527567509 /nfs/dbraw/zinc/56/75/09/527567509.db2.gz ZQCHTRZYSDXCQJ-HXUWFJFHSA-N 0 3 372.488 2.823 50 0 FFAAHN OCC[C@H]1CN(Cc2cc(F)ccc2-n2cccn2)CCN1C1CCCC1 ZINC000020599551 527574210 /nfs/dbraw/zinc/57/42/10/527574210.db2.gz ZQCHTRZYSDXCQJ-FQEVSTJZSA-N 0 3 372.488 2.823 50 0 FFAAHN Cc1ccc([C@@H]2CN(C(=O)c3cnc(C)cn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072144511 571172651 /nfs/dbraw/zinc/17/26/51/571172651.db2.gz ZCHJBWOFPYKNNR-CEWLAPEOSA-N 0 3 362.477 2.796 50 0 FFAAHN Cc1nc2ncccn2c1C(=O)NCCN1CC[C@H](c2ccccc2C)C1 ZINC000670462630 571357145 /nfs/dbraw/zinc/35/71/45/571357145.db2.gz ZHGITEXOTWMYAY-KRWDZBQOSA-N 0 3 363.465 2.565 50 0 FFAAHN Cc1cnc(C2CCOCC2)n1[C@H]1CCN(C(=O)CN2CCCCCC2)C1 ZINC000581808642 971108410 /nfs/dbraw/zinc/10/84/10/971108410.db2.gz ZWMCSYWXIVZFIE-IBGZPJMESA-N 0 3 374.529 2.735 50 0 FFAAHN CCN1CCCn2nc([C@H]3CCCN(Cc4scnc4C)C3)cc2C1=O ZINC000675009010 971479354 /nfs/dbraw/zinc/47/93/54/971479354.db2.gz CGWYJMCYAAMNED-HNNXBMFYSA-N 0 3 373.526 2.893 50 0 FFAAHN CCN1CCCn2nc([C@H]3CCCN(Cc4cccnc4)C3)cc2C1=O ZINC000675006190 971480988 /nfs/dbraw/zinc/48/09/88/971480988.db2.gz ZKNIEZYCFZXGPQ-KRWDZBQOSA-N 0 3 353.470 2.524 50 0 FFAAHN COc1ccc(CCC(=O)N2CCC([C@H]3[C@@H](OC)CN3C(C)C)CC2)cc1 ZINC000581813167 969433013 /nfs/dbraw/zinc/43/30/13/969433013.db2.gz HFFOOZSCNAHSNH-UNMCSNQZSA-N 0 3 374.525 2.974 50 0 FFAAHN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CN4CCN3CCC4)cn2)cc1C ZINC000677876592 988339231 /nfs/dbraw/zinc/33/92/31/988339231.db2.gz TZKPPCJCFMAPJP-LJQANCHMSA-N 0 3 366.465 2.819 50 0 FFAAHN COc1ccc(CC[C@@H](C)N2CCOC3(CCN(C(C)=O)CC3)C2)cc1 ZINC000824662318 999245172 /nfs/dbraw/zinc/24/51/72/999245172.db2.gz FYTLAOKFXPDWNQ-QGZVFWFLSA-N 0 3 360.498 2.730 50 0 FFAAHN N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCc1nc2cc(Cl)ccc2[nH]1 ZINC000828116135 999553423 /nfs/dbraw/zinc/55/34/23/999553423.db2.gz VNRXMWCCPPMXIS-HNNXBMFYSA-N 0 3 372.856 2.541 50 0 FFAAHN Cc1cc(N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)nc(N)n1 ZINC000952971313 1011016703 /nfs/dbraw/zinc/01/67/03/1011016703.db2.gz SAVSELUTRULANU-UHFFFAOYSA-N 0 3 369.513 2.622 50 0 FFAAHN CCc1ccccc1OCCN1CC[C@H](O)[C@](CO)(Cc2ccccc2)C1 ZINC001529089692 1062156144 /nfs/dbraw/zinc/15/61/44/1062156144.db2.gz WRDGVWZULUZGMB-XZOQPEGZSA-N 0 3 369.505 2.916 50 0 FFAAHN Cc1cc(C[C@@H]2CN(CC3=Cc4cc(Cl)ccc4OC3)C[C@@H]2O)n[nH]1 ZINC001529098588 1062161955 /nfs/dbraw/zinc/16/19/55/1062161955.db2.gz ISEHXJIIPOOQJS-QAPCUYQASA-N 0 3 359.857 2.683 50 0 FFAAHN Cc1cc(C[C@@H]2CN(CC3=Cc4cc(Cl)ccc4OC3)C[C@@H]2O)[nH]n1 ZINC001529098588 1062161971 /nfs/dbraw/zinc/16/19/71/1062161971.db2.gz ISEHXJIIPOOQJS-QAPCUYQASA-N 0 3 359.857 2.683 50 0 FFAAHN CC[C@@H]1[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)C2ON1c1ccccc1 ZINC000138629319 209377584 /nfs/dbraw/zinc/37/75/84/209377584.db2.gz AJCJNWXPVDJBKE-FGTMMUONSA-N 0 3 352.390 2.784 50 0 FFAAHN Cc1nc(-c2ccc(CN3CCN(C)CC3)cc2)n(-c2ccnc(C)c2)n1 ZINC000097785206 209197429 /nfs/dbraw/zinc/19/74/29/209197429.db2.gz ACVRKDLCAZWLTH-UHFFFAOYSA-N 0 3 362.481 2.694 50 0 FFAAHN CN(C)c1ccc(C(=O)NCCN2CCC[C@H](c3ccccc3)C2)cn1 ZINC000097711690 209193532 /nfs/dbraw/zinc/19/35/32/209193532.db2.gz ZXPZSLSIRNCILZ-IBGZPJMESA-N 0 3 352.482 2.757 50 0 FFAAHN CN(C)Cc1csc(CN2CCC([N@@H+]3CCC[C@H](C(=O)[O-])C3)CC2)c1 ZINC000097522183 209184463 /nfs/dbraw/zinc/18/44/63/209184463.db2.gz KAKZRSPWHSDMEH-INIZCTEOSA-N 0 3 365.543 2.571 50 0 FFAAHN CN(C)Cc1csc(CN2CCC([N@H+]3CCC[C@H](C(=O)[O-])C3)CC2)c1 ZINC000097522183 209184466 /nfs/dbraw/zinc/18/44/66/209184466.db2.gz KAKZRSPWHSDMEH-INIZCTEOSA-N 0 3 365.543 2.571 50 0 FFAAHN Cc1cc2nc(C(=O)NC[C@@H](c3ccccc3C)N(C)C)cc(C)n2n1 ZINC000097463670 209181112 /nfs/dbraw/zinc/18/11/12/209181112.db2.gz QJLGGEJBDWLFKU-SFHVURJKSA-N 0 3 351.454 2.687 50 0 FFAAHN CN1CCC2(CC1)OCCN2C(=O)COc1ccc(Cl)cc1Cl ZINC000013683390 220086303 /nfs/dbraw/zinc/08/63/03/220086303.db2.gz HHAWVLABONQSHD-UHFFFAOYSA-N 0 3 359.253 2.653 50 0 FFAAHN CCc1ncc(-c2nc(CC3CCN(C)CC3)nn2CC(F)(F)F)cn1 ZINC000096135890 209117388 /nfs/dbraw/zinc/11/73/88/209117388.db2.gz OGVKSEYHPVYQBK-UHFFFAOYSA-N 0 3 368.407 2.744 50 0 FFAAHN COc1cc(CN2CCC(C(N)=O)CC2)ccc1OCc1ccccc1 ZINC000004715511 207040608 /nfs/dbraw/zinc/04/06/08/207040608.db2.gz PRISXDKKJHPVKB-UHFFFAOYSA-N 0 3 354.450 2.972 50 0 FFAAHN Cc1ccc(S(=O)(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 ZINC000004727427 207041793 /nfs/dbraw/zinc/04/17/93/207041793.db2.gz WRGKXLXVOCLBPJ-UHFFFAOYSA-N 0 3 358.507 2.937 50 0 FFAAHN COc1ccc(CNCCSc2nnnn2-c2ccccc2)cc1OC ZINC000004993770 207069357 /nfs/dbraw/zinc/06/93/57/207069357.db2.gz WFYCFKCKGLIRRU-UHFFFAOYSA-N 0 3 371.466 2.561 50 0 FFAAHN COc1ccc(NC(=O)c2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000008428039 207233657 /nfs/dbraw/zinc/23/36/57/207233657.db2.gz WRYKSVDWSJOZPL-KRWDZBQOSA-N 0 3 367.449 2.645 50 0 FFAAHN CN(Cc1ccccc1)C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000011661839 207316976 /nfs/dbraw/zinc/31/69/76/207316976.db2.gz WQACRQILFPDXEI-NRFANRHFSA-N 0 3 356.441 2.811 50 0 FFAAHN CCN1CCC(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000011527134 207314310 /nfs/dbraw/zinc/31/43/10/207314310.db2.gz WWLSWAHSCCDNDP-HNNXBMFYSA-N 0 3 367.902 2.743 50 0 FFAAHN Cc1ncc(CN2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3=O)cn1 ZINC000011958059 207332739 /nfs/dbraw/zinc/33/27/39/207332739.db2.gz CSQNGVSPFGPHGS-OAQYLSRUSA-N 0 3 368.456 2.939 50 0 FFAAHN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2cnn(C)c2)C1 ZINC000012000090 207333414 /nfs/dbraw/zinc/33/34/14/207333414.db2.gz RHRFWZJUTOJPCR-NRFANRHFSA-N 0 3 371.481 2.817 50 0 FFAAHN CN(Cc1ccccc1)C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000011840227 207325204 /nfs/dbraw/zinc/32/52/04/207325204.db2.gz WHKWJLZVCRMQIO-NRFANRHFSA-N 0 3 374.431 2.950 50 0 FFAAHN c1ccc(OCc2noc(CN3CCC(N4CCSCC4)CC3)n2)cc1 ZINC000011873474 207327521 /nfs/dbraw/zinc/32/75/21/207327521.db2.gz LZESEGYSEGRLHN-UHFFFAOYSA-N 0 3 374.510 2.662 50 0 FFAAHN Cc1ccc(CN(C)C[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)o1 ZINC000011933428 207329084 /nfs/dbraw/zinc/32/90/84/207329084.db2.gz JFKWVFXWTRLYGG-HXUWFJFHSA-N 0 3 360.429 2.713 50 0 FFAAHN O=C(CC[C@H]1CCCN(Cc2cccn2-c2ncccn2)C1)N1CCCC1 ZINC000012300310 207355471 /nfs/dbraw/zinc/35/54/71/207355471.db2.gz JPEUCDDFYUHJNI-GOSISDBHSA-N 0 3 367.497 2.882 50 0 FFAAHN Cc1c(C)n(CCCN(C)C)c(N)c1S(=O)(=O)c1ccc(F)cc1 ZINC000012372586 207364596 /nfs/dbraw/zinc/36/45/96/207364596.db2.gz ZDNFRJGROJWDPJ-UHFFFAOYSA-N 0 3 353.463 2.611 50 0 FFAAHN CCOC(=O)C1(CCOC)CCN([C@H](C)Cn2nc(C)cc2C)CC1 ZINC000012387669 207369912 /nfs/dbraw/zinc/36/99/12/207369912.db2.gz NTZMAHIYEPIFRT-QGZVFWFLSA-N 0 3 351.491 2.570 50 0 FFAAHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc(Cn2ccc3ccccc32)n[nH]1 ZINC000012433937 207376676 /nfs/dbraw/zinc/37/66/76/207376676.db2.gz GCRXVJTYEKKVNW-MRXNPFEDSA-N 0 3 365.481 2.827 50 0 FFAAHN Cc1ccc(CN(C)C[C@]2(O)CCCN(Cc3ccccc3F)C2=O)o1 ZINC000012470279 207381035 /nfs/dbraw/zinc/38/10/35/207381035.db2.gz IVRQPMQDQOZICP-HXUWFJFHSA-N 0 3 360.429 2.713 50 0 FFAAHN CC(=O)c1cccc(OC[C@H](O)CN[C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000032899643 208052080 /nfs/dbraw/zinc/05/20/80/208052080.db2.gz BTEAYRBTNYNVAO-KBXCAEBGSA-N 0 3 371.433 2.751 50 0 FFAAHN CCNC(=O)[C@@H]1C[C@H](NCc2ccc(C(F)(F)F)cc2)CN1C(C)C ZINC000032513714 208029683 /nfs/dbraw/zinc/02/96/83/208029683.db2.gz VEVRDMLUMDINAR-HOTGVXAUSA-N 0 3 357.420 2.782 50 0 FFAAHN CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCC[C@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000036056672 208143171 /nfs/dbraw/zinc/14/31/71/208143171.db2.gz ZPZXBSYRQXXUMN-MNEFBYGVSA-N 0 3 369.465 2.932 50 0 FFAAHN COCCCN(Cc1ccc(OC)c(OC)c1)C[C@@H](O)COCC(C)C ZINC000036095924 208145351 /nfs/dbraw/zinc/14/53/51/208145351.db2.gz UXNDGRDREIZWMF-GOSISDBHSA-N 0 3 369.502 2.576 50 0 FFAAHN COCCCN(Cc1cccc(OC)c1)C[C@H](O)COCc1ccco1 ZINC000036100179 208146733 /nfs/dbraw/zinc/14/67/33/208146733.db2.gz QHMDDBLLUSRVQJ-SFHVURJKSA-N 0 3 363.454 2.704 50 0 FFAAHN CCOc1cc(CN2CCN(C3CCCC3)[C@H](CCO)C2)ccc1OC ZINC000039447503 208210662 /nfs/dbraw/zinc/21/06/62/208210662.db2.gz AWISNNBYGPGURX-LJQANCHMSA-N 0 3 362.514 2.905 50 0 FFAAHN COc1ccc(CN2CCN(CC(C)C)[C@H](CCO)C2)c(OC)c1C ZINC000039362709 208210888 /nfs/dbraw/zinc/21/08/88/208210888.db2.gz RUEIBFIFDUSPBA-GOSISDBHSA-N 0 3 350.503 2.537 50 0 FFAAHN CCn1cc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c2ccccc21 ZINC000047851476 208384114 /nfs/dbraw/zinc/38/41/14/208384114.db2.gz LRTGZWNIYMGFCY-KRWDZBQOSA-N 0 3 355.482 2.988 50 0 FFAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC[C@H](N2CCOCC2)C1 ZINC000019788009 220295675 /nfs/dbraw/zinc/29/56/75/220295675.db2.gz OMGDHQLGDBKRFC-FQEVSTJZSA-N 0 3 372.488 2.925 50 0 FFAAHN Cc1cc(C)n([C@H]2CCN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)C2)n1 ZINC000072133253 208804776 /nfs/dbraw/zinc/80/47/76/208804776.db2.gz QOKJVKDETLREQC-IBGZPJMESA-N 0 3 365.481 2.745 50 0 FFAAHN CC(C)c1cc([C@H]2CCCN2C(=O)CCc2cc3n(n2)CCCNC3)no1 ZINC000072427792 208858052 /nfs/dbraw/zinc/85/80/52/208858052.db2.gz LFXZHTMBKGJOTH-GOSISDBHSA-N 0 3 371.485 2.784 50 0 FFAAHN CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(N(C)CCO)cc1)C2 ZINC000091848927 209001156 /nfs/dbraw/zinc/00/11/56/209001156.db2.gz HNDWRBJSRQHFDW-WIYYLYMNSA-N 0 3 371.525 2.618 50 0 FFAAHN Cn1cc(Cl)c(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)n1 ZINC000091934056 209006280 /nfs/dbraw/zinc/00/62/80/209006280.db2.gz KYZBADDIDAHWIJ-JKSUJKDBSA-N 0 3 358.873 2.810 50 0 FFAAHN CCN1CC[C@]2(CN(Cc3cccc4cccnc43)CCN2C)CCC1=O ZINC000091988339 209009297 /nfs/dbraw/zinc/00/92/97/209009297.db2.gz LMNGBDHHSODTGQ-QFIPXVFZSA-N 0 3 366.509 2.753 50 0 FFAAHN c1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccc4c(c2)OCCO4)C3)nc1 ZINC000092096940 209016276 /nfs/dbraw/zinc/01/62/76/209016276.db2.gz MMEMOKAJHYSLKG-AZUAARDMSA-N 0 3 365.477 2.949 50 0 FFAAHN COc1ccc(C(C)C)cc1CN1C[C@H]2CC[C@@H]1CN(CC(=O)N(C)C)C2 ZINC000095387211 209044947 /nfs/dbraw/zinc/04/49/47/209044947.db2.gz BJGGBXWTHGZZFH-FXAWDEMLSA-N 0 3 373.541 2.803 50 0 FFAAHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000095371125 209035706 /nfs/dbraw/zinc/03/57/06/209035706.db2.gz PRWKGFYKNVMTRC-OAQYLSRUSA-N 0 3 371.525 2.609 50 0 FFAAHN Cn1cc(CCC(=O)O[C@@H]2CCN(Cc3ccc4c(c3)CCC4)C2)cn1 ZINC000095456232 209052599 /nfs/dbraw/zinc/05/25/99/209052599.db2.gz YPTQZZYMLAOOIG-HXUWFJFHSA-N 0 3 353.466 2.659 50 0 FFAAHN CCCN1CCCN(C(=O)Nc2cccc(Cn3ccccc3=O)c2)CC1 ZINC000095958720 209089138 /nfs/dbraw/zinc/08/91/38/209089138.db2.gz FMPRRCSRLGDZLK-UHFFFAOYSA-N 0 3 368.481 2.846 50 0 FFAAHN CN1CCC(O)(CNC(=O)Nc2cccc(OCc3ccccc3)c2)CC1 ZINC000095506397 209065771 /nfs/dbraw/zinc/06/57/71/209065771.db2.gz UTMNGSCWMUQHNL-UHFFFAOYSA-N 0 3 369.465 2.844 50 0 FFAAHN CCN1CCCC[C@@H]1C(=O)N1CCN(c2ccccc2OC)C(C)(C)C1 ZINC000082137672 132196977 /nfs/dbraw/zinc/19/69/77/132196977.db2.gz PFIQGTVIRCMPRT-GOSISDBHSA-N 0 3 359.514 2.997 50 0 FFAAHN COc1ccc(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)nn1 ZINC000252499919 132292934 /nfs/dbraw/zinc/29/29/34/132292934.db2.gz SJCOCLDSRZSOGD-UHFFFAOYSA-N 0 3 369.469 2.576 50 0 FFAAHN COc1ccccc1Cn1nccc1NC(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000095523313 209074320 /nfs/dbraw/zinc/07/43/20/209074320.db2.gz DDANXRAYRAEEQK-DLBZAZTESA-N 0 3 369.469 2.640 50 0 FFAAHN CCOc1ccccc1C(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 ZINC000095528147 209077654 /nfs/dbraw/zinc/07/76/54/209077654.db2.gz QTVDKDYDIXYBNL-KRWDZBQOSA-N 0 3 370.497 2.863 50 0 FFAAHN CCN(CC(=O)NCc1ccc(NC(C)=O)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000065380691 506290517 /nfs/dbraw/zinc/29/05/17/506290517.db2.gz YPCCWXGGXXOELT-GOSISDBHSA-N 0 3 361.486 2.541 50 0 FFAAHN Cc1cccnc1CN(Cc1ccccc1)C(=O)CN1CCCN(C)CC1 ZINC000065388217 506292074 /nfs/dbraw/zinc/29/20/74/506292074.db2.gz AAMJWLSRPQLVQW-UHFFFAOYSA-N 0 3 366.509 2.556 50 0 FFAAHN Cc1ccc2[nH]c(CN3CCc4nc[nH]c4C34CCN(C)CC4)nc2c1C ZINC000065385458 506292470 /nfs/dbraw/zinc/29/24/70/506292470.db2.gz RVQGCOVZZWHJOW-UHFFFAOYSA-N 0 3 364.497 2.882 50 0 FFAAHN O=C(CCN1CCN(c2ccncc2)CC1)NCc1cccc(Cl)c1 ZINC000065397618 506292742 /nfs/dbraw/zinc/29/27/42/506292742.db2.gz WDNJCGZTFSHTOR-UHFFFAOYSA-N 0 3 358.873 2.564 50 0 FFAAHN Cc1ccnc([C@H](C2CC2)n2cnc3sc4c(c3c2=O)CCNC4)c1 ZINC000065405457 506294923 /nfs/dbraw/zinc/29/49/23/506294923.db2.gz WWRNALWQNGQQER-KRWDZBQOSA-N 0 3 352.463 2.807 50 0 FFAAHN COc1ccc(NC(=O)CCN2CC=C(c3cnn(C)c3)CC2)c(C)c1 ZINC000065420393 506296579 /nfs/dbraw/zinc/29/65/79/506296579.db2.gz USPYICMMKJBIRE-UHFFFAOYSA-N 0 3 354.454 2.855 50 0 FFAAHN C[C@@H](NC(=O)CCN1CCC(Oc2ncccn2)CC1)c1ccccc1 ZINC000065469490 506304971 /nfs/dbraw/zinc/30/49/71/506304971.db2.gz QVEANFIUHMFKTJ-MRXNPFEDSA-N 0 3 354.454 2.587 50 0 FFAAHN O=C(c1cc(F)cc(Br)c1)N1CCN(c2ccncc2)CC1 ZINC000032930882 506314718 /nfs/dbraw/zinc/31/47/18/506314718.db2.gz XPCHIZSKQBDVQP-UHFFFAOYSA-N 0 3 364.218 2.946 50 0 FFAAHN CC(C)[NH+]1CCC(c2c(-c3ccccc3)ncn2CCc2nnn[n-]2)CC1 ZINC000065536287 506319604 /nfs/dbraw/zinc/31/96/04/506319604.db2.gz BCHYOIVRQPNACL-UHFFFAOYSA-N 0 3 365.485 2.894 50 0 FFAAHN CC(C)[NH+]1CCC(c2c(-c3ccccc3)ncn2CCc2nn[n-]n2)CC1 ZINC000065536287 506319608 /nfs/dbraw/zinc/31/96/08/506319608.db2.gz BCHYOIVRQPNACL-UHFFFAOYSA-N 0 3 365.485 2.894 50 0 FFAAHN O=C(CN1CCC[C@H]1CCc1ccccc1)NC1CCC2(CC1)OCCO2 ZINC000053183185 506328660 /nfs/dbraw/zinc/32/86/60/506328660.db2.gz PZMCBDSVIUBXJW-FQEVSTJZSA-N 0 3 372.509 2.886 50 0 FFAAHN COc1ccc(CNC(=O)NCC2CCN(Cc3ccco3)CC2)cc1 ZINC000038489595 506437854 /nfs/dbraw/zinc/43/78/54/506437854.db2.gz KBCLKEFIYJRJAQ-UHFFFAOYSA-N 0 3 357.454 3.000 50 0 FFAAHN CCN1CCN(Cc2ccccc2CNC(=O)c2ccccc2OC)CC1 ZINC000040089817 506466594 /nfs/dbraw/zinc/46/65/94/506466594.db2.gz MJYVZOVMJOEAFS-UHFFFAOYSA-N 0 3 367.493 2.763 50 0 FFAAHN CCNC(=O)N1CCC(NCc2ccc(Sc3ncccn3)o2)CC1 ZINC000055089372 506673821 /nfs/dbraw/zinc/67/38/21/506673821.db2.gz XHAZUBMAKOMBMQ-UHFFFAOYSA-N 0 3 361.471 2.504 50 0 FFAAHN COc1cccc2c1OCC(CN1CCC(Cc3nncn3C)CC1)=C2 ZINC000055281086 506716677 /nfs/dbraw/zinc/71/66/77/506716677.db2.gz USKPWGXVDLQFFC-UHFFFAOYSA-N 0 3 354.454 2.554 50 0 FFAAHN Cc1cc2cc(CNC[C@]3(O)CCCN(CC(C)(C)C)C3=O)ccc2[nH]1 ZINC000012595385 506882598 /nfs/dbraw/zinc/88/25/98/506882598.db2.gz UTZPLDUGIIWVCO-OAQYLSRUSA-N 0 3 357.498 2.966 50 0 FFAAHN CC(=O)NCCNCc1cn(-c2cccc(F)c2)nc1-c1ccc(C)o1 ZINC000012707569 506892562 /nfs/dbraw/zinc/89/25/62/506892562.db2.gz WKYVKQYBNHPMJW-UHFFFAOYSA-N 0 3 356.401 2.806 50 0 FFAAHN CC(C)Cn1cncc1CNc1nc(-c2cccnc2)nc2c1CCNC2 ZINC000067603846 506944773 /nfs/dbraw/zinc/94/47/73/506944773.db2.gz GLEJUBZQEJBIEW-UHFFFAOYSA-N 0 3 363.469 2.649 50 0 FFAAHN CCNc1cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nc(C)n1 ZINC000067612562 506950448 /nfs/dbraw/zinc/95/04/48/506950448.db2.gz IRIXQHVERKZDAE-UHFFFAOYSA-N 0 3 359.861 2.833 50 0 FFAAHN CNCC(=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067672885 506970992 /nfs/dbraw/zinc/97/09/92/506970992.db2.gz IPYRITKHEMVESZ-UHFFFAOYSA-N 0 3 361.445 2.959 50 0 FFAAHN Cc1cccc(O[C@H](C(=O)N2CCC3(CC2)CN(C)CCN3C)C(C)C)c1 ZINC000067712808 506987032 /nfs/dbraw/zinc/98/70/32/506987032.db2.gz NPTNEANRKJQLRS-FQEVSTJZSA-N 0 3 373.541 2.637 50 0 FFAAHN CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H](N(C)Cc1ccco1)C2 ZINC000014744080 506999530 /nfs/dbraw/zinc/99/95/30/506999530.db2.gz KJHWPMVOLLSJFY-OAHLLOKOSA-N 0 3 358.486 2.823 50 0 FFAAHN COc1cc([C@H]2ON=C(CN3CCCCC3)[C@H]2C)c(OC)c2c1OCO2 ZINC000015082564 507018735 /nfs/dbraw/zinc/01/87/35/507018735.db2.gz MFULGJJVWYIHNX-WBMJQRKESA-N 0 3 362.426 2.982 50 0 FFAAHN CC(C)(N)c1cn(C2CCN(C(=O)CCCc3ccc(F)cc3)CC2)nn1 ZINC000019300782 507164581 /nfs/dbraw/zinc/16/45/81/507164581.db2.gz DTMSVCOIZZNBJR-UHFFFAOYSA-N 0 3 373.476 2.797 50 0 FFAAHN O=C1C[C@@H](NCCc2ccccc2)C(=O)N1c1ccc(Br)cc1 ZINC000019371389 507168398 /nfs/dbraw/zinc/16/83/98/507168398.db2.gz WRAJUVCFXVFUAZ-MRXNPFEDSA-N 0 3 373.250 2.913 50 0 FFAAHN CCCOc1ccc(CNC(=O)N2CCCN(C3CC3)CC2)cc1OC ZINC000058161016 507376448 /nfs/dbraw/zinc/37/64/48/507376448.db2.gz BWGAFBVOPINRFH-UHFFFAOYSA-N 0 3 361.486 2.864 50 0 FFAAHN Cc1ccc(-c2nc(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)cs2)cc1 ZINC000058175496 507379737 /nfs/dbraw/zinc/37/97/37/507379737.db2.gz IXRCGOBUBCTRGZ-CVEARBPZSA-N 0 3 357.479 2.712 50 0 FFAAHN Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@H](C)CN2CCCCC2)cc1 ZINC000024802921 507438689 /nfs/dbraw/zinc/43/86/89/507438689.db2.gz ATPOEZAOIKPCLU-OAHLLOKOSA-N 0 3 373.526 2.533 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)COC(C)C)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071736431 507708674 /nfs/dbraw/zinc/70/86/74/507708674.db2.gz LVYKQMIZFFWJKQ-CEWLAPEOSA-N 0 3 358.482 2.509 50 0 FFAAHN CC(C)[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)CCCN1Cc1ccc(F)cc1 ZINC000071776231 507716179 /nfs/dbraw/zinc/71/61/79/507716179.db2.gz UVTPQZYZUUOQDD-GOSISDBHSA-N 0 3 372.444 2.694 50 0 FFAAHN Cc1nc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)co1 ZINC000072143270 507756824 /nfs/dbraw/zinc/75/68/24/507756824.db2.gz FYPDSXZHDMGLEE-DUXKGJEZSA-N 0 3 367.449 2.774 50 0 FFAAHN c1cncc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072148517 507758399 /nfs/dbraw/zinc/75/83/99/507758399.db2.gz OPGXSEKOZMTTBU-STZQEDGTSA-N 0 3 363.461 2.873 50 0 FFAAHN CCCc1ccc(CN2C[C@H](O)[C@@H](N(C)Cc3cc(C4CC4)[nH]n3)C2)o1 ZINC000072409083 507785069 /nfs/dbraw/zinc/78/50/69/507785069.db2.gz YLWFTSMPRSGLLT-PMACEKPBSA-N 0 3 358.486 2.510 50 0 FFAAHN OCCOc1cccc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)c1 ZINC000072418660 507786113 /nfs/dbraw/zinc/78/61/13/507786113.db2.gz LEFLDWVNADUMLC-JOCHJYFZSA-N 0 3 366.505 2.733 50 0 FFAAHN C[C@H](Cn1cccn1)C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072418531 507786386 /nfs/dbraw/zinc/78/63/86/507786386.db2.gz FDJHFYCLAKVPRT-HINLZNOGSA-N 0 3 356.514 2.632 50 0 FFAAHN COCCCN(C(=O)c1ccc(Cl)cc1OC)C1CCN(C)CC1 ZINC000072430569 507789599 /nfs/dbraw/zinc/78/95/99/507789599.db2.gz CITSTMGGLNSJQG-UHFFFAOYSA-N 0 3 354.878 2.922 50 0 FFAAHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000091321671 507980744 /nfs/dbraw/zinc/98/07/44/507980744.db2.gz QHIYIDAEHPEITQ-NRFANRHFSA-N 0 3 374.488 2.888 50 0 FFAAHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000091321671 507980745 /nfs/dbraw/zinc/98/07/45/507980745.db2.gz QHIYIDAEHPEITQ-NRFANRHFSA-N 0 3 374.488 2.888 50 0 FFAAHN O=C1N(CCO)CCC[C@]12CCN(Cc1cccc(C(F)(F)F)c1)C2 ZINC000091473895 507988277 /nfs/dbraw/zinc/98/82/77/507988277.db2.gz HUSSOZMIZZBVCM-QGZVFWFLSA-N 0 3 356.388 2.512 50 0 FFAAHN COC(=O)CC1(NCc2ccc(Br)cc2F)CCOCC1 ZINC000075108044 508083316 /nfs/dbraw/zinc/08/33/16/508083316.db2.gz RCERXHDDUJQQJK-UHFFFAOYSA-N 0 3 360.223 2.790 50 0 FFAAHN CN(Cc1ccccc1C(F)(F)F)C(=O)NCC1CCN(CCO)CC1 ZINC000111869546 508131669 /nfs/dbraw/zinc/13/16/69/508131669.db2.gz YPBPDQUQIMBVJH-UHFFFAOYSA-N 0 3 373.419 2.551 50 0 FFAAHN c1ccc(COc2ccccc2CNC[C@@H]2CN(C3CC3)CCO2)nc1 ZINC000106379964 508400012 /nfs/dbraw/zinc/40/00/12/508400012.db2.gz TZXOURJULSHESB-HXUWFJFHSA-N 0 3 353.466 2.613 50 0 FFAAHN COc1cccc(COc2ccccc2CN2C[C@H](CO)C[C@H](CO)C2)c1 ZINC000215229454 509245040 /nfs/dbraw/zinc/24/50/40/509245040.db2.gz GBBCMBITARRSNT-KDURUIRLSA-N 0 3 371.477 2.697 50 0 FFAAHN c1ccc(-c2ncc(CN3CCN(C4CCSCC4)CC3)cn2)nc1 ZINC000215670522 509251516 /nfs/dbraw/zinc/25/15/16/509251516.db2.gz LBGYGDFSZUPAOQ-UHFFFAOYSA-N 0 3 355.511 2.552 50 0 FFAAHN CN1CCC(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000216015313 509254951 /nfs/dbraw/zinc/25/49/51/509254951.db2.gz JRROSIZDNGBBSB-UHFFFAOYSA-N 0 3 355.404 2.557 50 0 FFAAHN Cn1cc(CN2CCCO[C@H](Cn3cccn3)C2)c(-c2ccccc2)n1 ZINC000216261947 509258151 /nfs/dbraw/zinc/25/81/51/509258151.db2.gz PTVYFBIPMKRXJH-IBGZPJMESA-N 0 3 351.454 2.575 50 0 FFAAHN CC[C@@H](C)Sc1ncc(CN2CCN(C3CCOCC3)CC2)cn1 ZINC000216204498 509258234 /nfs/dbraw/zinc/25/82/34/509258234.db2.gz ZCRCLQJVDHUMGX-OAHLLOKOSA-N 0 3 350.532 2.664 50 0 FFAAHN Cn1cnnc1Sc1ccc(CN2CCN[C@H](c3ccccc3)C2)o1 ZINC000218830222 509282511 /nfs/dbraw/zinc/28/25/11/509282511.db2.gz YVAFHUFZFATKIH-INIZCTEOSA-N 0 3 355.467 2.706 50 0 FFAAHN O=C(NCC1CCN(CCO)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000220396853 509301024 /nfs/dbraw/zinc/30/10/24/509301024.db2.gz CQLFEZUFDORLRZ-UHFFFAOYSA-N 0 3 364.795 2.793 50 0 FFAAHN CN(C)CCOc1ccccc1C(=O)NC[C@@](C)(CO)Cc1ccccc1 ZINC000252484296 509839785 /nfs/dbraw/zinc/83/97/85/509839785.db2.gz FTWAIDPZNUODAU-QFIPXVFZSA-N 0 3 370.493 2.598 50 0 FFAAHN O=C1Nc2ccccc2CC[C@H]1N1CCC(CCCN2CCOCC2)CC1 ZINC000252507371 509845717 /nfs/dbraw/zinc/84/57/17/509845717.db2.gz WJKXSUMCTOFUIR-OAQYLSRUSA-N 0 3 371.525 2.764 50 0 FFAAHN COc1cccc([C@H]2CCN(CCC(=O)Nc3cccnc3)C2)c1OC ZINC000244724599 509867287 /nfs/dbraw/zinc/86/72/87/509867287.db2.gz MXBPNSOEQCLHHD-HNNXBMFYSA-N 0 3 355.438 2.917 50 0 FFAAHN CC(=O)N1CCC2(C[C@@H](c3nnc(C)o3)N(CCc3ccccc3)C2)CC1 ZINC000257192135 509952963 /nfs/dbraw/zinc/95/29/63/509952963.db2.gz SOBWYUVKCNEHTC-IBGZPJMESA-N 0 3 368.481 2.996 50 0 FFAAHN C[C@@H]1CN([C@H](CNCc2cnn(C)c2)c2c(F)cccc2Cl)CCO1 ZINC000261949365 510125492 /nfs/dbraw/zinc/12/54/92/510125492.db2.gz GWIWVPZTIYKNHT-CXAGYDPISA-N 0 3 366.868 2.764 50 0 FFAAHN O=C(CCCC(=O)N1CCC(N2CCC[C@@H](CO)C2)CC1)c1ccccc1 ZINC000299757191 511669763 /nfs/dbraw/zinc/66/97/63/511669763.db2.gz IXGFYDWRZWUPLA-GOSISDBHSA-N 0 3 372.509 2.735 50 0 FFAAHN CCN1[C@@H](c2ccc(Cl)cc2)[C@@H](CNC(=O)CSC)C[C@@]1(C)CO ZINC000299759601 511672308 /nfs/dbraw/zinc/67/23/08/511672308.db2.gz PDAFUVAKIVRYTC-JLSDUUJJSA-N 0 3 370.946 2.953 50 0 FFAAHN Cc1ccc(F)c(C(=O)N2CCN([C@@H]3CN4CCC3CC4)CC2)c1Cl ZINC000299768110 511673287 /nfs/dbraw/zinc/67/32/87/511673287.db2.gz IWLLWZHEBFZOHA-MRXNPFEDSA-N 0 3 365.880 2.640 50 0 FFAAHN O=C(Nc1ccnn1Cc1ccccc1Cl)N1CCN2CCC[C@@H]2C1 ZINC000299787820 511680423 /nfs/dbraw/zinc/68/04/23/511680423.db2.gz RCGBJJGNCOJIEZ-OAHLLOKOSA-N 0 3 359.861 2.897 50 0 FFAAHN CN1CCC(O)(CNC(=O)Nc2cccc(/C=C/c3ccccn3)c2)CC1 ZINC000299785241 511681234 /nfs/dbraw/zinc/68/12/34/511681234.db2.gz KGKGPMLCYNIHHS-CMDGGOBGSA-N 0 3 366.465 2.830 50 0 FFAAHN CC(C)(C)c1cc(C(=O)NC[C@H]2CCC[N@@H+](C3CCCC3)C2)[n-]c(=O)n1 ZINC000299790804 511682247 /nfs/dbraw/zinc/68/22/47/511682247.db2.gz BNIMQULCKKLHPS-CQSZACIVSA-N 0 3 360.502 2.864 50 0 FFAAHN CC(C)(C)c1cc(C(=O)NC[C@H]2CCC[N@H+](C3CCCC3)C2)[n-]c(=O)n1 ZINC000299790804 511682252 /nfs/dbraw/zinc/68/22/52/511682252.db2.gz BNIMQULCKKLHPS-CQSZACIVSA-N 0 3 360.502 2.864 50 0 FFAAHN O=C([C@H]1CCCN(Cc2ccco2)C1)N1CCC(Oc2ccncc2)CC1 ZINC000299795406 511684082 /nfs/dbraw/zinc/68/40/82/511684082.db2.gz KXMPXSOLUXXJEW-KRWDZBQOSA-N 0 3 369.465 2.957 50 0 FFAAHN CN(CCN1CCCCCC1)C(=O)c1ccc(-c2ccc(C(N)=O)o2)cc1 ZINC000426380347 513921761 /nfs/dbraw/zinc/92/17/61/513921761.db2.gz IEXOLQQYWUAJJW-UHFFFAOYSA-N 0 3 369.465 2.994 50 0 FFAAHN CO[C@]12CCN(Cc3cnn(C)c3C)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426424435 513936776 /nfs/dbraw/zinc/93/67/76/513936776.db2.gz YSXABAHUKFVEDO-WSTZPKSXSA-N 0 3 356.470 2.715 50 0 FFAAHN Cc1noc(C)c1CN1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1 ZINC000426575017 513984385 /nfs/dbraw/zinc/98/43/85/513984385.db2.gz NLKHTKOLMAYWCG-KRWDZBQOSA-N 0 3 372.517 2.785 50 0 FFAAHN Cc1cc(C)n(C2CN(C(=O)NCCN3CC[C@H](c4ccccc4)C3)C2)n1 ZINC000426627642 513999297 /nfs/dbraw/zinc/99/92/97/513999297.db2.gz IACNWMMLCBVRCO-IBGZPJMESA-N 0 3 367.497 2.556 50 0 FFAAHN CCN1CCC[C@H](NC(=O)N2Cc3cnc(-c4ccccc4)nc3C2)C1 ZINC000534637823 517977166 /nfs/dbraw/zinc/97/71/66/517977166.db2.gz OFJJAEALTRMKCJ-KRWDZBQOSA-N 0 3 351.454 2.653 50 0 FFAAHN C[C@H](CNC(=O)N(Cc1ccc(O)cc1)Cc1cccnc1)N1CCCC1 ZINC000534642972 517979006 /nfs/dbraw/zinc/97/90/06/517979006.db2.gz AQQJEKDKDRMSSK-QGZVFWFLSA-N 0 3 368.481 2.983 50 0 FFAAHN COc1ccc2oc(CNC(=O)N3CC(N4CCCC[C@@H]4C)C3)nc2c1 ZINC000534659684 517988451 /nfs/dbraw/zinc/98/84/51/517988451.db2.gz JZYWSHSERMDKFS-ZDUSSCGKSA-N 0 3 358.442 2.605 50 0 FFAAHN O=C(NC[C@H]1CCCO1)c1cccc(-c2cccc(N3CCNCC3)c2)c1 ZINC000584887130 518524098 /nfs/dbraw/zinc/52/40/98/518524098.db2.gz FEIABEALGHQNGO-OAQYLSRUSA-N 0 3 365.477 2.672 50 0 FFAAHN O=C(NC1CCN(Cc2ccc(-c3ccccc3)cc2)CC1)N1CC(O)C1 ZINC000584891041 518524952 /nfs/dbraw/zinc/52/49/52/518524952.db2.gz MKQLHVTVFAEUGO-UHFFFAOYSA-N 0 3 365.477 2.704 50 0 FFAAHN CC(C)c1noc([C@@H]2CCCN2C(=O)CSCCN2CCCC2)n1 ZINC000091644677 519909772 /nfs/dbraw/zinc/90/97/72/519909772.db2.gz SNKQMTDXGUEJCM-AWEZNQCLSA-N 0 3 352.504 2.686 50 0 FFAAHN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3c[nH]c4ccccc34)C2)CC1 ZINC000020778589 520960456 /nfs/dbraw/zinc/96/04/56/520960456.db2.gz IUGSLUQOHSXIEP-GOSISDBHSA-N 0 3 370.497 2.906 50 0 FFAAHN CCOC(=O)c1n[nH]cc1CN(C)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000020541069 521595603 /nfs/dbraw/zinc/59/56/03/521595603.db2.gz UNFXTEPQWXYRGN-LJQANCHMSA-N 0 3 370.497 2.725 50 0 FFAAHN COc1cc(C)c(NC(=O)N[C@H]2CCC[C@H]2N2CC[C@H](OC)C2)cc1F ZINC000626509724 522243053 /nfs/dbraw/zinc/24/30/53/522243053.db2.gz VTAPHBFGNWVIJQ-JLJPHGGASA-N 0 3 365.449 2.906 50 0 FFAAHN Cc1cc(C)n(-c2cccc(CN3CCC[C@@H](N4CCOCC4)C3)c2)n1 ZINC000020783983 524491651 /nfs/dbraw/zinc/49/16/51/524491651.db2.gz RSSHGNWIDQMDPL-OAQYLSRUSA-N 0 3 354.498 2.786 50 0 FFAAHN O=C1OCC2(CCN(Cc3cnc(NCc4ccccc4)nc3)CC2)O1 ZINC000216494907 527093516 /nfs/dbraw/zinc/09/35/16/527093516.db2.gz JMHDASCFQQFZNB-UHFFFAOYSA-N 0 3 354.410 2.590 50 0 FFAAHN Cc1nc2ccccn2c1C(=O)NC[C@H](c1ccc2c(c1)CCO2)N(C)C ZINC000090607239 527176588 /nfs/dbraw/zinc/17/65/88/527176588.db2.gz MOXYJLUYXKALQY-QGZVFWFLSA-N 0 3 364.449 2.610 50 0 FFAAHN O=C(Cc1ccc(-c2ccccc2)cc1)NCc1cc2n(n1)CCCNC2 ZINC000082091500 527215087 /nfs/dbraw/zinc/21/50/87/527215087.db2.gz XYWJMRAJEZTTHQ-UHFFFAOYSA-N 0 3 360.461 2.902 50 0 FFAAHN CCn1cc(-c2cc(C(F)(F)F)nc(N3CCN4CCC[C@H]4C3)n2)cn1 ZINC000252430667 536011254 /nfs/dbraw/zinc/01/12/54/536011254.db2.gz CUWPHDATILZTED-ZDUSSCGKSA-N 0 3 366.391 2.663 50 0 FFAAHN C[C@@H](NCCn1cnc2ccccc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000084651624 571094786 /nfs/dbraw/zinc/09/47/86/571094786.db2.gz VMZBKTRMTMNXEG-OAHLLOKOSA-N 0 3 372.494 2.637 50 0 FFAAHN Cc1csc2nc(Cl)c(CN3CCC(CN4CCOCC4)CC3)n12 ZINC000670442810 571349679 /nfs/dbraw/zinc/34/96/79/571349679.db2.gz ONXXLEYYSTVWDZ-UHFFFAOYSA-N 0 3 368.934 2.902 50 0 FFAAHN CCCN1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1 ZINC000015779695 571351790 /nfs/dbraw/zinc/35/17/90/571351790.db2.gz HWECYWRHTZMAAC-UHFFFAOYSA-N 0 3 355.461 2.710 50 0 FFAAHN O=C(NCCN1CCC[C@H](c2ccccc2)C1)c1cnc(C2CC2)nc1 ZINC000670451337 571352471 /nfs/dbraw/zinc/35/24/71/571352471.db2.gz TWUMHAWPNPMTEK-SFHVURJKSA-N 0 3 350.466 2.963 50 0 FFAAHN COCc1nnc2n1CCC1(CCN(Cc3cnn(C(C)C)c3)CC1)CC2 ZINC000675013207 971488796 /nfs/dbraw/zinc/48/87/96/971488796.db2.gz ZTXPMIDGQWLESF-UHFFFAOYSA-N 0 3 372.517 2.821 50 0 FFAAHN C[C@H](O)c1cn(C2CCN(Cc3cn(C)nc3-c3ccccc3)CC2)nn1 ZINC000023337668 969234462 /nfs/dbraw/zinc/23/44/62/969234462.db2.gz FOQPAKOLHGGFSC-HNNXBMFYSA-N 0 3 366.469 2.569 50 0 FFAAHN NCc1cn(C2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)nn1 ZINC000023478387 969357279 /nfs/dbraw/zinc/35/72/79/969357279.db2.gz QCFPNYJPFJNTNJ-UHFFFAOYSA-N 0 3 368.363 2.625 50 0 FFAAHN O=C(C[C@@H]1CCOC2(CCN(Cc3ccccn3)CC2)C1)N1CCCC1 ZINC000581784948 969418504 /nfs/dbraw/zinc/41/85/04/969418504.db2.gz BKUDYQZKMQCRTG-SFHVURJKSA-N 0 3 357.498 2.855 50 0 FFAAHN CS(=O)(=O)C[C@H]1CCCN(Cc2cc(CN3CCCCC3)cs2)C1 ZINC000824864215 999272965 /nfs/dbraw/zinc/27/29/65/999272965.db2.gz OKCXWTNINZUEBN-INIZCTEOSA-N 0 3 370.584 2.991 50 0 FFAAHN Cc1ncc(CN2CCC[C@H]2C(=O)Nc2ccc(-n3ccnc3C)cc2)[nH]1 ZINC000042484220 1000484708 /nfs/dbraw/zinc/48/47/08/1000484708.db2.gz WIYSBSXPJFGCTQ-IBGZPJMESA-N 0 3 364.453 2.815 50 0 FFAAHN Cc1ncc2ccc(C(=O)NC3CCC(O)(c4cccnc4)CC3)cn12 ZINC000585081174 1008250543 /nfs/dbraw/zinc/25/05/43/1008250543.db2.gz KRAHHPZATGLKHS-UHFFFAOYSA-N 0 3 350.422 2.598 50 0 FFAAHN O=C1C[C@H](NCc2ccc3nonc3c2)CN1CCCc1ccccc1 ZINC000055212119 1018335204 /nfs/dbraw/zinc/33/52/04/1018335204.db2.gz SSKAWOAMCNUHSL-KRWDZBQOSA-N 0 3 350.422 2.546 50 0 FFAAHN CCOc1cc(CN2C[C@@H](Cc3cc(C)[nH]n3)[C@H](O)C2)ccc1OC(C)C ZINC001529180649 1062204293 /nfs/dbraw/zinc/20/42/93/1062204293.db2.gz GNXJORKQMRYVNW-IEBWSBKVSA-N 0 3 373.497 2.939 50 0 FFAAHN CCOc1cc(CN2C[C@@H](Cc3cc(C)n[nH]3)[C@H](O)C2)ccc1OC(C)C ZINC001529180649 1062204313 /nfs/dbraw/zinc/20/43/13/1062204313.db2.gz GNXJORKQMRYVNW-IEBWSBKVSA-N 0 3 373.497 2.939 50 0 FFAAHN Cc1ccc([C@@H](CNC(=O)c2cc(C(F)(F)F)nn2C)N(C)C)cc1 ZINC000097495531 209183217 /nfs/dbraw/zinc/18/32/17/209183217.db2.gz ZYSYVMNKWAHSAQ-CQSZACIVSA-N 0 3 354.376 2.780 50 0 FFAAHN C[C@@H](Cc1cnccn1)NC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000096163426 209128409 /nfs/dbraw/zinc/12/84/09/209128409.db2.gz MVDGVWUBEASRIG-HNNXBMFYSA-N 0 3 369.469 2.702 50 0 FFAAHN COc1cc(CNC(=O)CN2CCCCCCC2)cc(OC)c1OC ZINC000007582526 207199428 /nfs/dbraw/zinc/19/94/28/207199428.db2.gz JNPUHFJFYMBXFI-UHFFFAOYSA-N 0 3 350.459 2.595 50 0 FFAAHN CCN(CC)CCn1cnc2c(c(C)c(C)n2Cc2ccncc2)c1=N ZINC000009422668 207271187 /nfs/dbraw/zinc/27/11/87/207271187.db2.gz MOPFQNWOOOBOAW-UHFFFAOYSA-N 0 3 352.486 2.719 50 0 FFAAHN O=C1N(CCc2ccccc2)CCC[C@@]1(O)CNC1(c2ccccc2)CC1 ZINC000012298414 207355650 /nfs/dbraw/zinc/35/56/50/207355650.db2.gz QMPWSXUKXYSXPG-HSZRJFAPSA-N 0 3 364.489 2.862 50 0 FFAAHN Cc1cc(C(=O)N(CCc2ccccc2)CC2CCN(C)CC2)n(C)n1 ZINC000012577802 207396291 /nfs/dbraw/zinc/39/62/91/207396291.db2.gz NRMDELFMWWXIEZ-UHFFFAOYSA-N 0 3 354.498 2.755 50 0 FFAAHN CC(=O)N1CCCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000025221837 207888636 /nfs/dbraw/zinc/88/86/36/207888636.db2.gz HEDKQHFJNFUWFQ-GOSISDBHSA-N 0 3 365.477 2.710 50 0 FFAAHN CCN1CCN([C@@H](C)CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)CC1 ZINC000032594171 208031010 /nfs/dbraw/zinc/03/10/10/208031010.db2.gz GWMCXHWOEWPPEQ-KRWDZBQOSA-N 0 3 370.497 2.714 50 0 FFAAHN CCN(CC)[C@@H](CNC(=O)[C@@H]1CCCN(C(C)=O)C1)c1ccsc1 ZINC000032915209 208056819 /nfs/dbraw/zinc/05/68/19/208056819.db2.gz LVAOUCHDKOREOD-WBVHZDCISA-N 0 3 351.516 2.506 50 0 FFAAHN Cc1ccc(-n2nc(C(=O)NC3CCN(C)CC3)nc2-c2ccoc2)cc1 ZINC000034911328 208115731 /nfs/dbraw/zinc/11/57/31/208115731.db2.gz BTKUOVDBPVBODK-UHFFFAOYSA-N 0 3 365.437 2.660 50 0 FFAAHN CN1CCCN(CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000036408820 208164864 /nfs/dbraw/zinc/16/48/64/208164864.db2.gz GTCIKKKKGKPXEK-LJQANCHMSA-N 0 3 361.486 2.730 50 0 FFAAHN CN1CCCN(CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000039987719 208215446 /nfs/dbraw/zinc/21/54/46/208215446.db2.gz GTCIKKKKGKPXEK-IBGZPJMESA-N 0 3 361.486 2.730 50 0 FFAAHN CCN(CC)[C@H](CNC(=O)c1cccnc1-n1cncn1)c1ccsc1 ZINC000040089488 208226156 /nfs/dbraw/zinc/22/61/56/208226156.db2.gz LPWDVPFBCDJCOX-MRXNPFEDSA-N 0 3 370.482 2.537 50 0 FFAAHN CCN1CCC(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000044019739 208308587 /nfs/dbraw/zinc/30/85/87/208308587.db2.gz FQDUDBVHSRCHKJ-UHFFFAOYSA-N 0 3 352.862 2.644 50 0 FFAAHN O=c1cc(-c2ccncc2)nc(-c2ccccc2C[N@@H+]2CCCOCC2)[n-]1 ZINC000048090889 208387963 /nfs/dbraw/zinc/38/79/63/208387963.db2.gz HLOZPWFIJPFXGR-UHFFFAOYSA-N 0 3 362.433 2.721 50 0 FFAAHN O=c1cc(-c2ccncc2)nc(-c2ccccc2C[N@H+]2CCCOCC2)[n-]1 ZINC000048090889 208387967 /nfs/dbraw/zinc/38/79/67/208387967.db2.gz HLOZPWFIJPFXGR-UHFFFAOYSA-N 0 3 362.433 2.721 50 0 FFAAHN CCOC(=O)C1CCN(C(=O)CN2CCC[C@H]2c2ccccc2C)CC1 ZINC000048289698 208398283 /nfs/dbraw/zinc/39/82/83/208398283.db2.gz WDVNQSYMNKZGND-IBGZPJMESA-N 0 3 358.482 2.934 50 0 FFAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC[C@@H](N2CCOCC2)C1 ZINC000019788007 220295711 /nfs/dbraw/zinc/29/57/11/220295711.db2.gz OMGDHQLGDBKRFC-HXUWFJFHSA-N 0 3 372.488 2.925 50 0 FFAAHN CCNc1cc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)nc(C)n1 ZINC000065365919 208667831 /nfs/dbraw/zinc/66/78/31/208667831.db2.gz NFCAKQSYQLZAQA-UHFFFAOYSA-N 0 3 354.458 2.879 50 0 FFAAHN CNC(=O)c1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)o1 ZINC000095385819 209044424 /nfs/dbraw/zinc/04/44/24/209044424.db2.gz DVWWJFJCWSJKAU-FUHWJXTLSA-N 0 3 371.456 2.875 50 0 FFAAHN Cc1nnc(SCC(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)o1 ZINC000095372106 209034953 /nfs/dbraw/zinc/03/49/53/209034953.db2.gz UZXKNULWJMUVOO-IAGOWNOFSA-N 0 3 372.494 2.593 50 0 FFAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 ZINC000095370893 209035618 /nfs/dbraw/zinc/03/56/18/209035618.db2.gz UJPIWLHBYWVUMZ-GOSISDBHSA-N 0 3 369.513 2.531 50 0 FFAAHN CCC1=NO[C@@H](CNC(=O)Nc2ccccc2OC2CCN(C)CC2)C1 ZINC000095499798 209062059 /nfs/dbraw/zinc/06/20/59/209062059.db2.gz FMTSJDHQOSXFGM-MRXNPFEDSA-N 0 3 360.458 2.836 50 0 FFAAHN Cc1cc(C)n(C[C@@H](C)CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)n1 ZINC000057202430 221084902 /nfs/dbraw/zinc/08/49/02/221084902.db2.gz CUUKKZLTSKIMQY-JXFKEZNVSA-N 0 3 371.529 2.608 50 0 FFAAHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1C[C@@]12CCOC2 ZINC000329757891 258146740 /nfs/dbraw/zinc/14/67/40/258146740.db2.gz ZQNRQPDDAJNKKO-YFVAEKQCSA-N 0 3 358.482 2.632 50 0 FFAAHN COc1ccc2c(c1)OC[C@]1(CO)CN(CCOc3ccccc3)C[C@H]21 ZINC000095504997 209065391 /nfs/dbraw/zinc/06/53/91/209065391.db2.gz FJKMXJMQDRNIRG-TZIWHRDSSA-N 0 3 355.434 2.545 50 0 FFAAHN CC(C)N1CCC(C(=O)N2CC[C@]3(C2)CC(=O)c2ccccc2O3)CC1 ZINC000095507257 209066442 /nfs/dbraw/zinc/06/64/42/209066442.db2.gz GFTIPAIKNPOPNJ-OAQYLSRUSA-N 0 3 356.466 2.743 50 0 FFAAHN COc1cc2c(cc1OC)CN(C1CCN(c3ccncn3)CC1)CC2 ZINC000091461071 132201735 /nfs/dbraw/zinc/20/17/35/132201735.db2.gz KMTLZGADHBJMTK-UHFFFAOYSA-N 0 3 354.454 2.521 50 0 FFAAHN Cc1cccc(N2CCN(CCC(=O)NCc3cnc(C)cc3C)CC2)c1 ZINC000244724195 132290468 /nfs/dbraw/zinc/29/04/68/132290468.db2.gz MPNWRRNXNHRDCC-UHFFFAOYSA-N 0 3 366.509 2.835 50 0 FFAAHN Fc1ccc(-c2n[nH]cc2CN[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000109070762 132306715 /nfs/dbraw/zinc/30/67/15/132306715.db2.gz XEPMYYYRNFWJON-KRWDZBQOSA-N 0 3 352.417 2.764 50 0 FFAAHN CCN(CC)c1cc(C)c2c(n1)sc1c2ncnc1N1CCNCC1 ZINC000071283044 136138836 /nfs/dbraw/zinc/13/88/36/136138836.db2.gz VLDMWHJKANJLJR-UHFFFAOYSA-N 0 3 356.499 2.804 50 0 FFAAHN CC(=O)N[C@@H]1CN(Cc2ccccc2OCCn2ccnc2)C[C@H]1C(C)C ZINC000095528682 209078085 /nfs/dbraw/zinc/07/80/85/209078085.db2.gz SSECZVIEGIFQNK-VQTJNVASSA-N 0 3 370.497 2.555 50 0 FFAAHN O=C(OCCN1CCCCC1)c1ccccc1I ZINC000000641644 506226210 /nfs/dbraw/zinc/22/62/10/506226210.db2.gz VYAVTUFZLOBGIN-UHFFFAOYSA-N 0 3 359.207 2.934 50 0 FFAAHN Cn1nnnc1SCCNCc1ccccc1OCc1ccccc1 ZINC000002181816 506273692 /nfs/dbraw/zinc/27/36/92/506273692.db2.gz XQODSJBZAFNXFQ-UHFFFAOYSA-N 0 3 355.467 2.671 50 0 FFAAHN O=C(CCN1CCC(Cc2noc(C3CC3)n2)CC1)Nc1nccs1 ZINC000065407924 506294322 /nfs/dbraw/zinc/29/43/22/506294322.db2.gz JNIDJEMPRJBINU-UHFFFAOYSA-N 0 3 361.471 2.687 50 0 FFAAHN CCN1CCN(c2ccc(NC(=O)CN3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000007346269 506554625 /nfs/dbraw/zinc/55/46/25/506554625.db2.gz SLCWQNRLCOQURR-QZTJIDSGSA-N 0 3 358.530 2.745 50 0 FFAAHN COc1cccc(CN(C)Cc2[nH]nc3c2CCCC3)c1OCCN(C)C ZINC000055100001 506676656 /nfs/dbraw/zinc/67/66/56/506676656.db2.gz LFQJJGMGSKGUKV-UHFFFAOYSA-N 0 3 372.513 2.870 50 0 FFAAHN Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)c1 ZINC000012706452 506891153 /nfs/dbraw/zinc/89/11/53/506891153.db2.gz AFRAGMLQSBRKIF-JOCHJYFZSA-N 0 3 365.477 2.757 50 0 FFAAHN O=C1N(CCC2CCCCC2)CCC[C@@]1(O)CNCCc1ccccn1 ZINC000067472775 506894330 /nfs/dbraw/zinc/89/43/30/506894330.db2.gz KWYIAKHDPJPIGA-OAQYLSRUSA-N 0 3 359.514 2.538 50 0 FFAAHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000056144396 506947741 /nfs/dbraw/zinc/94/77/41/506947741.db2.gz HDEZSAQCWGJGDO-LSDHHAIUSA-N 0 3 370.453 2.545 50 0 FFAAHN c1ccc2[nH]c(CCNc3nc(-c4cccnc4)nc4c3CCNC4)nc2c1 ZINC000067675236 506971795 /nfs/dbraw/zinc/97/17/95/506971795.db2.gz CKXGKAQFTAXHPC-UHFFFAOYSA-N 0 3 371.448 2.715 50 0 FFAAHN CCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](N1CCCC1)CC2 ZINC000014539791 506993877 /nfs/dbraw/zinc/99/38/77/506993877.db2.gz NSRBNFKGPHAJGE-KRWDZBQOSA-N 0 3 352.482 2.634 50 0 FFAAHN CC(C)N1C(=O)N(C)C2(CCN(Cc3cn(C)c4ccccc34)CC2)C1=O ZINC000014751387 506999038 /nfs/dbraw/zinc/99/90/38/506999038.db2.gz DTPHCDIUTZLVGK-UHFFFAOYSA-N 0 3 368.481 2.815 50 0 FFAAHN CCc1nnc(CNc2nc(-c3ccccc3)nc3c2CCNC3)s1 ZINC000067819069 507017969 /nfs/dbraw/zinc/01/79/69/507017969.db2.gz VSSXGKFOEMJUSF-UHFFFAOYSA-N 0 3 352.467 2.815 50 0 FFAAHN Cn1nc([C@@H]2CCCN(CCc3ccccc3)C2)n(-c2ccccc2)c1=O ZINC000067896148 507044886 /nfs/dbraw/zinc/04/48/86/507044886.db2.gz KMEQJDHUKCBECA-LJQANCHMSA-N 0 3 362.477 2.993 50 0 FFAAHN COc1ccc2c(c1)C[C@H](NC(=O)N1CCN(C3CCCCC3)CC1)CO2 ZINC000015787360 507059883 /nfs/dbraw/zinc/05/98/83/507059883.db2.gz XBKVEEBXVCPTRC-KRWDZBQOSA-N 0 3 373.497 2.659 50 0 FFAAHN CCOc1ccc2[nH]c(=O)c(CN3CC(N4CCCC[C@H]4C)C3)cc2c1 ZINC000067974329 507072738 /nfs/dbraw/zinc/07/27/38/507072738.db2.gz JJAYLNPPYOSWRJ-OAHLLOKOSA-N 0 3 355.482 2.985 50 0 FFAAHN COc1cc(CN2CCN(C(C)C)[C@@H](CCO)C2)cc(Cl)c1OC ZINC000020454087 507221737 /nfs/dbraw/zinc/22/17/37/507221737.db2.gz LVZLXUPSEJQPIZ-HNNXBMFYSA-N 0 3 356.894 2.634 50 0 FFAAHN CCN1CCC(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)CC1 ZINC000020607239 507227949 /nfs/dbraw/zinc/22/79/49/507227949.db2.gz KPJLAWXVHVQRDK-UHFFFAOYSA-N 0 3 360.405 2.868 50 0 FFAAHN Cc1cc(I)ccc1OCCCN1CCN(C)CC1 ZINC000020652846 507230048 /nfs/dbraw/zinc/23/00/48/507230048.db2.gz XFAQYFWZAFUJCF-UHFFFAOYSA-N 0 3 374.266 2.616 50 0 FFAAHN CC(=O)N[C@H](CC(=O)NC[C@H](c1ccccc1)N(C)C)c1cccs1 ZINC000021305672 507250888 /nfs/dbraw/zinc/25/08/88/507250888.db2.gz MIDNVKZXBVRWNO-IAGOWNOFSA-N 0 3 359.495 2.735 50 0 FFAAHN Cc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1 ZINC000021793617 507267129 /nfs/dbraw/zinc/26/71/29/507267129.db2.gz NFAPYODAUJBQNY-UHFFFAOYSA-N 0 3 365.481 2.656 50 0 FFAAHN Cc1cccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c1 ZINC000021794988 507268303 /nfs/dbraw/zinc/26/83/03/507268303.db2.gz OCFOPFNKRWYNEI-UHFFFAOYSA-N 0 3 354.458 2.514 50 0 FFAAHN CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccc(F)cc1F ZINC000021868523 507270519 /nfs/dbraw/zinc/27/05/19/507270519.db2.gz ZONPMMRJJBASJY-UHFFFAOYSA-N 0 3 350.365 2.631 50 0 biogenic FFAAHN Cc1cccc(Nc2nc(NCCN3CCCC3)nc3c2cnn3C)c1 ZINC000021928795 507274180 /nfs/dbraw/zinc/27/41/80/507274180.db2.gz QLTNBGALPKPYEF-UHFFFAOYSA-N 0 3 351.458 2.923 50 0 FFAAHN O=C(CN1CCN2CCC[C@@H]2C1)Nc1ccc(Br)cc1Cl ZINC000022752694 507307964 /nfs/dbraw/zinc/30/79/64/507307964.db2.gz XAOXJXJVFDBOOJ-GFCCVEGCSA-N 0 3 372.694 2.821 50 0 FFAAHN CCNC(=O)[C@@H]1C[C@H](NCc2c(OC)ccc3ccccc32)CN1C(C)C ZINC000023159147 507335436 /nfs/dbraw/zinc/33/54/36/507335436.db2.gz ZLONSOWARVOLKD-PXNSSMCTSA-N 0 3 369.509 2.925 50 0 FFAAHN CC(C)(N)c1cn(CC2CCN(C(=O)Nc3cccc(F)c3)CC2)nn1 ZINC000023192982 507337207 /nfs/dbraw/zinc/33/72/07/507337207.db2.gz YUFPKPITTODNLP-UHFFFAOYSA-N 0 3 360.437 2.555 50 0 FFAAHN COCc1cc(=O)[n-]c(-c2cccc(C[N@H+](C)CCC[C@H]3CCCO3)c2)n1 ZINC000023581611 507360839 /nfs/dbraw/zinc/36/08/39/507360839.db2.gz MDIZBQXUXVGBAR-IBGZPJMESA-N 0 3 371.481 2.974 50 0 FFAAHN COCc1cc(=O)[n-]c(-c2cccc(C[N@@H+](C)CCC[C@H]3CCCO3)c2)n1 ZINC000023581611 507360848 /nfs/dbraw/zinc/36/08/48/507360848.db2.gz MDIZBQXUXVGBAR-IBGZPJMESA-N 0 3 371.481 2.974 50 0 FFAAHN O=C([C@@H]1CC=CCC1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058174363 507378902 /nfs/dbraw/zinc/37/89/02/507378902.db2.gz DFQDAYNTMCOZQN-VQTJNVASSA-N 0 3 368.525 2.799 50 0 FFAAHN Cc1ccc([C@@H](CNC(=O)CN(C)C(=O)c2cccs2)N(C)C)cc1 ZINC000058180779 507380594 /nfs/dbraw/zinc/38/05/94/507380594.db2.gz XHBRURQHPNUXQN-MRXNPFEDSA-N 0 3 359.495 2.548 50 0 FFAAHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc(C)nc3c2c(C)nn3C)o1 ZINC000058245976 507392776 /nfs/dbraw/zinc/39/27/76/507392776.db2.gz RQWHSSBPGNCRBZ-UHFFFAOYSA-N 0 3 369.469 2.691 50 0 FFAAHN COc1cc(NC(=O)NC[C@H](C)N2CCC[C@H](C)C2)ccc1NC(C)=O ZINC000048378349 507511872 /nfs/dbraw/zinc/51/18/72/507511872.db2.gz RANSMMGBAZSOBX-KBPBESRZSA-N 0 3 362.474 2.896 50 0 FFAAHN COc1ccc([C@H](CNC(=O)C2=Cc3ccccc3OC2)N(C)C)cc1 ZINC000025715271 507525616 /nfs/dbraw/zinc/52/56/16/507525616.db2.gz BEWQEMGNVTVWEE-IBGZPJMESA-N 0 3 352.434 2.890 50 0 FFAAHN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000070024799 507602096 /nfs/dbraw/zinc/60/20/96/507602096.db2.gz GFNPMKRHJFSKPZ-DNVCBOLYSA-N 0 3 354.498 2.921 50 0 FFAAHN COc1cc(OC)c([C@@H]2NCC[C@]23C(=O)Nc2ccc(F)cc23)cc1OC ZINC000062001319 507650622 /nfs/dbraw/zinc/65/06/22/507650622.db2.gz BDLYWJPBXZFJRJ-AZUAARDMSA-N 0 3 372.396 2.776 50 0 biogenic FFAAHN COc1cc(OC)c([C@@H]2NCC[C@@]23C(=O)Nc2ccc(F)cc23)cc1OC ZINC000062001321 507651176 /nfs/dbraw/zinc/65/11/76/507651176.db2.gz BDLYWJPBXZFJRJ-ICSRJNTNSA-N 0 3 372.396 2.776 50 0 biogenic FFAAHN CC(C)C[C@@H](CN(C)C)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000071917211 507724830 /nfs/dbraw/zinc/72/48/30/507724830.db2.gz DADNFNSFRQWLNQ-INIZCTEOSA-N 0 3 355.523 2.726 50 0 FFAAHN Cc1cnn(CC(=O)N2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072137106 507755655 /nfs/dbraw/zinc/75/56/55/507755655.db2.gz OFTBARRNNSYQCW-CEMLEFRQSA-N 0 3 364.493 2.589 50 0 FFAAHN Cc1cccc(CN2CCC[C@]3(CCN(c4ncccc4C(N)=O)C3)C2)c1 ZINC000072143314 507756450 /nfs/dbraw/zinc/75/64/50/507756450.db2.gz YMBYFUPRUVWWLP-QFIPXVFZSA-N 0 3 364.493 2.981 50 0 FFAAHN CC1=C(CCN2CCN[C@H](C(=O)NCc3cccnc3)C2)C(C)(C)CCC1 ZINC000072151173 507759569 /nfs/dbraw/zinc/75/95/69/507759569.db2.gz QMKTYLFQZRQSAF-FQEVSTJZSA-N 0 3 370.541 2.888 50 0 FFAAHN CCn1ccnc1CN1C[C@H](c2ccccc2OC)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072150911 507760321 /nfs/dbraw/zinc/76/03/21/507760321.db2.gz SMOFACILNDFTMK-STZQEDGTSA-N 0 3 366.509 2.974 50 0 FFAAHN Cc1cc(CC(=O)N2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)on1 ZINC000072150482 507760788 /nfs/dbraw/zinc/76/07/88/507760788.db2.gz AOFOGJVZFUVOII-KSEOMHKRSA-N 0 3 365.477 2.923 50 0 FFAAHN Cc1nc([C@@H](C)Nc2nc(-c3ccc(Cl)cc3)nc3c2CNC3)n[nH]1 ZINC000072157377 507763975 /nfs/dbraw/zinc/76/39/75/507763975.db2.gz ZGROBXVNFIOXFJ-SECBINFHSA-N 0 3 355.833 3.000 50 0 FFAAHN CCc1nccn1CCC(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 ZINC000072158721 507764505 /nfs/dbraw/zinc/76/45/05/507764505.db2.gz RXXBRAABMSBVBM-FQEVSTJZSA-N 0 3 366.509 2.537 50 0 FFAAHN CCS(=O)(=O)N1CC[C@@]2(C1)CCCN(CCCc1ccccc1)C2 ZINC000072162866 507765935 /nfs/dbraw/zinc/76/59/35/507765935.db2.gz HARHOZVQWQPASR-IBGZPJMESA-N 0 3 350.528 2.757 50 0 FFAAHN c1c(CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)nn2c1CNCCC2 ZINC000072164947 507766323 /nfs/dbraw/zinc/76/63/23/507766323.db2.gz HLGNKQIUQCYZHF-MRXNPFEDSA-N 0 3 364.497 2.707 50 0 FFAAHN CCCNC(=O)C1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000051402160 507767657 /nfs/dbraw/zinc/76/76/57/507767657.db2.gz QRRVLDMRDZLZCY-MRXNPFEDSA-N 0 3 358.404 2.977 50 0 FFAAHN COc1cccc(CN2CCN(Cc3cc(CN(C)C)cs3)CC2=O)c1 ZINC000072166157 507768113 /nfs/dbraw/zinc/76/81/13/507768113.db2.gz OJASPTZFAVUBNT-UHFFFAOYSA-N 0 3 373.522 2.663 50 0 FFAAHN Cc1nc(CCCn2ccnc2-c2cc3n(n2)CCCNC3)sc1C ZINC000072408562 507784563 /nfs/dbraw/zinc/78/45/63/507784563.db2.gz ZSAYTZWMEQPBQB-UHFFFAOYSA-N 0 3 356.499 2.946 50 0 FFAAHN O=C(CCn1cnnc1)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 ZINC000072431514 507790004 /nfs/dbraw/zinc/79/00/04/507790004.db2.gz RLHQPCWZNFEYOK-NRFANRHFSA-N 0 3 367.497 2.573 50 0 FFAAHN COc1cccc(CN2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)c1 ZINC000072433300 507790465 /nfs/dbraw/zinc/79/04/65/507790465.db2.gz AADRQBDHOCSJGR-GOSISDBHSA-N 0 3 369.513 2.799 50 0 FFAAHN CC1(C)[C@@H]2C[C@H]1C(CCNC(=O)CCc1cc3n(n1)CCCNC3)=CC2 ZINC000072457796 507794189 /nfs/dbraw/zinc/79/41/89/507794189.db2.gz OJHNRZYDAAMAIB-LPHOPBHVSA-N 0 3 356.514 2.808 50 0 FFAAHN COc1ncccc1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072469098 507794673 /nfs/dbraw/zinc/79/46/73/507794673.db2.gz DGFZHGWCUXWKMC-UHFFFAOYSA-N 0 3 355.482 2.817 50 0 FFAAHN O=C(c1ccc(CO)cc1)N1CCCN(CCCc2ccccc2)CC1 ZINC000072469568 507794752 /nfs/dbraw/zinc/79/47/52/507794752.db2.gz DCPRQAKFIHCGJD-UHFFFAOYSA-N 0 3 352.478 2.960 50 0 FFAAHN Cc1ncc2c(c1CNC(=O)Cc1ccc(C(F)(F)F)cc1)CCNC2 ZINC000072474903 507795616 /nfs/dbraw/zinc/79/56/16/507795616.db2.gz HGYICNNHYOUVPD-UHFFFAOYSA-N 0 3 363.383 2.913 50 0 FFAAHN CN1CCc2[nH]nc(C(=O)N3CCc4[nH]c5c(cccc5Cl)c4C3)c2C1 ZINC000072479601 507797387 /nfs/dbraw/zinc/79/73/87/507797387.db2.gz BCGNAJJBDLMXKZ-UHFFFAOYSA-N 0 3 369.856 2.731 50 0 FFAAHN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(=O)n(CCN2CCCC2)c1 ZINC000064760505 507808349 /nfs/dbraw/zinc/80/83/49/507808349.db2.gz CAIFKGMMZSOYDV-UHFFFAOYSA-N 0 3 363.820 2.989 50 0 FFAAHN COc1cc(SC)c(OC)cc1CN1CC[C@]2(C1)CCCN(C)C2=O ZINC000091270308 507977824 /nfs/dbraw/zinc/97/78/24/507977824.db2.gz PSUHITFAMDYKGQ-IBGZPJMESA-N 0 3 364.511 2.870 50 0 FFAAHN CSc1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cn1 ZINC000091535032 507991163 /nfs/dbraw/zinc/99/11/63/507991163.db2.gz MBQNWFBNQCWVGC-FUHWJXTLSA-N 0 3 368.506 2.935 50 0 FFAAHN CN(C)CCN1CC2(CCC1=O)CCN(Cc1cccc(F)c1F)CC2 ZINC000091547550 507992212 /nfs/dbraw/zinc/99/22/12/507992212.db2.gz VDVUHEPEXGUXSQ-UHFFFAOYSA-N 0 3 365.468 2.731 50 0 FFAAHN O=C(c1ccco1)N1CCC[C@H]([NH2+]Cc2cc(=O)c3cccc(F)c3[n-]2)C1 ZINC000091587128 507994043 /nfs/dbraw/zinc/99/40/43/507994043.db2.gz YKPAYIYSCQWWBE-ZDUSSCGKSA-N 0 3 369.396 2.655 50 0 FFAAHN CN1CCN(Cc2cc(F)ccc2C(F)(F)F)C[C@]12CCNC(=O)CC2 ZINC000091593572 507994870 /nfs/dbraw/zinc/99/48/70/507994870.db2.gz UYWBVYRBDKIIRV-KRWDZBQOSA-N 0 3 373.394 2.631 50 0 FFAAHN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)NCC[C@@H](C)N1CCN(C)CC1 ZINC000091650158 507999580 /nfs/dbraw/zinc/99/95/80/507999580.db2.gz ZWKURDLHDBYCGZ-MRXNPFEDSA-N 0 3 356.514 2.849 50 0 FFAAHN COCC(=O)NCc1cc2n(n1)CCCN(CC[C@H](C)c1ccccc1)C2 ZINC000091756310 508008854 /nfs/dbraw/zinc/00/88/54/508008854.db2.gz DXYVGTLNVNLFBP-KRWDZBQOSA-N 0 3 370.497 2.545 50 0 FFAAHN CN1CCC[C@]2(CCN(Cc3sc(N4CCCC4)nc3Cl)C2)C1=O ZINC000091756463 508009097 /nfs/dbraw/zinc/00/90/97/508009097.db2.gz JSOOYFBUHDCVCK-QGZVFWFLSA-N 0 3 368.934 2.841 50 0 FFAAHN Cc1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)c(C)n1 ZINC000091818322 508015679 /nfs/dbraw/zinc/01/56/79/508015679.db2.gz FEXTZNTUMNGQIS-RBUKOAKNSA-N 0 3 350.466 2.830 50 0 FFAAHN CN(C)C[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000075582568 508119586 /nfs/dbraw/zinc/11/95/86/508119586.db2.gz MTYWGOHXUWUAHM-CQSZACIVSA-N 0 3 366.893 2.735 50 0 FFAAHN O=C([C@H]1CCCN(Cc2ccco2)C1)N1CC(Oc2ccccc2F)C1 ZINC000095527706 508196216 /nfs/dbraw/zinc/19/62/16/508196216.db2.gz CITDKOUCGVEZSD-HNNXBMFYSA-N 0 3 358.413 2.921 50 0 FFAAHN CC(C)(C)n1cc(CN[C@@H]2CCc3nnc(Cc4ccccc4)n3C2)cn1 ZINC000096000243 508202030 /nfs/dbraw/zinc/20/20/30/508202030.db2.gz GHIWCNCDSNLTSY-GOSISDBHSA-N 0 3 364.497 2.925 50 0 FFAAHN Cc1cc(C[NH+]2CCC(c3cc(=O)[n-]cn3)CC2)c(C)n1-c1cccnc1 ZINC000082039674 508224799 /nfs/dbraw/zinc/22/47/99/508224799.db2.gz SMJLHSZYTGCBRW-UHFFFAOYSA-N 0 3 363.465 2.952 50 0 FFAAHN CCn1ccc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1=O ZINC000082162064 508227727 /nfs/dbraw/zinc/22/77/27/508227727.db2.gz ZHZNCIVHCYWNME-UHFFFAOYSA-N 0 3 369.509 2.595 50 0 FFAAHN Cc1cc(C(=O)NCCN2CCCC[C@@H]2CO)c2ccc(C)c(C)c2n1 ZINC000077323654 508300669 /nfs/dbraw/zinc/30/06/69/508300669.db2.gz JRFOETNIHUZHHL-QGZVFWFLSA-N 0 3 355.482 2.737 50 0 FFAAHN CC(=O)N[C@@H]1CN(Cc2ccc(N(C)C)nc2)C[C@H]1c1ccc(C)cc1 ZINC000077503739 508325029 /nfs/dbraw/zinc/32/50/29/508325029.db2.gz IMPXKDXQHBWGTL-VQTJNVASSA-N 0 3 352.482 2.560 50 0 FFAAHN Cc1ncc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c(C)n1 ZINC000077505223 508325241 /nfs/dbraw/zinc/32/52/41/508325241.db2.gz SFQIBKBXTWJPBC-UHFFFAOYSA-N 0 3 352.482 2.874 50 0 FFAAHN c1ccc(-c2ncc(CN3CCCC[C@@H]3CCN3CCOCC3)cn2)nc1 ZINC000077537282 508329917 /nfs/dbraw/zinc/32/99/17/508329917.db2.gz OTVSZSOHRCLSOD-LJQANCHMSA-N 0 3 367.497 2.615 50 0 FFAAHN COc1ccc(CN2CCN(C(C)C)[C@H](CCO)C2)c(Cl)c1OC ZINC000104371891 508333159 /nfs/dbraw/zinc/33/31/59/508333159.db2.gz GONNUQYOWJQBSF-OAHLLOKOSA-N 0 3 356.894 2.634 50 0 FFAAHN CC(C)CCN1CCN(Cc2cnn(-c3ccccc3)c2)C[C@H]1CCO ZINC000104443970 508334938 /nfs/dbraw/zinc/33/49/38/508334938.db2.gz NUDLPRNCSSPQRJ-OAQYLSRUSA-N 0 3 356.514 2.787 50 0 FFAAHN Cc1cc(CNC[C@H]2CN(C)CCO2)cc(C)c1OCc1ccccn1 ZINC000105471347 508373150 /nfs/dbraw/zinc/37/31/50/508373150.db2.gz QGCDYPKYHWJOES-FQEVSTJZSA-N 0 3 355.482 2.698 50 0 FFAAHN O=C(c1cnccn1)N1CCC(NCc2coc(-c3ccccc3)n2)CC1 ZINC000156269639 509153294 /nfs/dbraw/zinc/15/32/94/509153294.db2.gz ZZCONJIMIMRQGP-UHFFFAOYSA-N 0 3 363.421 2.526 50 0 FFAAHN C[C@H](c1ccncc1)N(C)Cc1ccccc1OCCN1CCN(C)CC1 ZINC000215094081 509243570 /nfs/dbraw/zinc/24/35/70/509243570.db2.gz QPQRWXRAFQFMAG-LJQANCHMSA-N 0 3 368.525 2.901 50 0 FFAAHN CN1C[C@@]2(CCN(Cc3cccc(OCCN4CCCCC4)c3)C2)OC1=O ZINC000215777686 509251798 /nfs/dbraw/zinc/25/17/98/509251798.db2.gz VTMQLQRHBMHJCP-OAQYLSRUSA-N 0 3 373.497 2.578 50 0 FFAAHN CN1C[C@H]2CC[C@H](CN2C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)C1 ZINC000216156772 509258291 /nfs/dbraw/zinc/25/82/91/509258291.db2.gz MUTJTMDPBRRTLL-SUMWQHHRSA-N 0 3 352.438 2.780 50 0 FFAAHN Cc1ccc(NCCCNC(=O)CN2CC[C@@H](c3ccccc3)C2)nc1 ZINC000219918794 509294887 /nfs/dbraw/zinc/29/48/87/509294887.db2.gz YWNXMVULBFIVMZ-LJQANCHMSA-N 0 3 352.482 2.798 50 0 FFAAHN CN(C)Cc1ccc([C@@H]2CCCN2C(=O)CSc2ncccn2)cc1 ZINC000220196559 509298114 /nfs/dbraw/zinc/29/81/14/509298114.db2.gz ARKFZMGFEZWXEZ-KRWDZBQOSA-N 0 3 356.495 2.994 50 0 FFAAHN CN1CCC(C(=O)N2CC[C@@](O)(c3ccccc3)C2)(c2ccccc2)CC1 ZINC000220682961 509301867 /nfs/dbraw/zinc/30/18/67/509301867.db2.gz APWWDONAVOFAFI-QHCPKHFHSA-N 0 3 364.489 2.770 50 0 FFAAHN C[C@H]1C[C@@H](c2nc([C@@H]3COCCN3C(=O)OC(C)(C)C)no2)CCN1C ZINC000239667415 509839109 /nfs/dbraw/zinc/83/91/09/509839109.db2.gz BPWGLWVWJSJTQZ-IHRRRGAJSA-N 0 3 366.462 2.576 50 0 FFAAHN Cc1ccc(CNC(=O)CCN2CCN(C3CCSCC3)CC2)cc1 ZINC000244734358 509866753 /nfs/dbraw/zinc/86/67/53/509866753.db2.gz NECLEVSRRXHYRD-UHFFFAOYSA-N 0 3 361.555 2.515 50 0 FFAAHN O=C(CCN1CCC[C@H]1C(=O)N1CCCCC1)Nc1cc(F)ccc1F ZINC000244872839 509873617 /nfs/dbraw/zinc/87/36/17/509873617.db2.gz WFHXDENGKQHVSY-KRWDZBQOSA-N 0 3 365.424 2.770 50 0 FFAAHN CN(C)Cc1ccccc1CNS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000195062141 510655013 /nfs/dbraw/zinc/65/50/13/510655013.db2.gz PFPBYZYOOUXPHF-UHFFFAOYSA-N 0 3 361.442 2.847 50 0 FFAAHN Cn1ccnc1SCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000299777030 511677536 /nfs/dbraw/zinc/67/75/36/511677536.db2.gz JLKCSRJAHKGYEQ-QGZVFWFLSA-N 0 3 358.511 2.541 50 0 FFAAHN Cc1cnccc1-c1ccc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)cc1 ZINC000426431390 513938967 /nfs/dbraw/zinc/93/89/67/513938967.db2.gz SMSWEYVOBKAFGH-OAQYLSRUSA-N 0 3 353.466 2.586 50 0 FFAAHN CN(Cc1ccccc1C(F)(F)F)C(=O)NCCN1CCC[C@@H](CO)C1 ZINC000426488555 513956411 /nfs/dbraw/zinc/95/64/11/513956411.db2.gz WGVNKQQQPRLOQS-CQSZACIVSA-N 0 3 373.419 2.551 50 0 FFAAHN COCCN1CC[C@H](CNC(=O)c2ccc(-c3ccc(F)cn3)cc2)C1 ZINC000426563210 513981665 /nfs/dbraw/zinc/98/16/65/513981665.db2.gz HLEYNQRWLJRGSA-OAHLLOKOSA-N 0 3 357.429 2.586 50 0 FFAAHN Cc1nccn1-c1ccc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000426632948 514000394 /nfs/dbraw/zinc/00/03/94/514000394.db2.gz WFKFPHBXIFNMLX-FQEVSTJZSA-N 0 3 367.497 2.951 50 0 FFAAHN Cc1nccn1-c1ccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000426632949 514000929 /nfs/dbraw/zinc/00/09/29/514000929.db2.gz WFKFPHBXIFNMLX-HXUWFJFHSA-N 0 3 367.497 2.951 50 0 FFAAHN Cc1cccc(CNC(=O)N2CCCC[C@H]2CCN2CCN(C)CC2)c1 ZINC000426656813 514007930 /nfs/dbraw/zinc/00/79/30/514007930.db2.gz BCQLYUKSCYFZIV-FQEVSTJZSA-N 0 3 358.530 2.697 50 0 FFAAHN Cn1c2ccccc2nc1[C@@H]1CCCN(C(=O)NCCN2CCCC2)C1 ZINC000426683704 514015271 /nfs/dbraw/zinc/01/52/71/514015271.db2.gz CWDCFZCIGMRYOZ-MRXNPFEDSA-N 0 3 355.486 2.558 50 0 FFAAHN CCNC(=O)c1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)s1 ZINC000426700094 514017676 /nfs/dbraw/zinc/01/76/76/514017676.db2.gz UQLQEGHNVATCQJ-UHFFFAOYSA-N 0 3 371.506 2.990 50 0 FFAAHN CN(Cc1nccs1)C(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC000534633638 517972977 /nfs/dbraw/zinc/97/29/77/517972977.db2.gz NTOXPDMZCNADQO-CQSZACIVSA-N 0 3 362.474 2.946 50 0 FFAAHN CC1CCN(CCNC(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)CC1 ZINC000534661632 517990987 /nfs/dbraw/zinc/99/09/87/517990987.db2.gz UJNQFXGXQUUDEU-OAQYLSRUSA-N 0 3 373.541 2.744 50 0 FFAAHN O=C(NCC1CCN([C@@H]2CCOC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000575607696 518233456 /nfs/dbraw/zinc/23/34/56/518233456.db2.gz OMEGVNABJLCLPN-OAHLLOKOSA-N 0 3 372.387 2.816 50 0 FFAAHN CCc1nc(CCNC(=O)N(C)Cc2ccccc2CN2CCCC2)no1 ZINC000584887546 518523689 /nfs/dbraw/zinc/52/36/89/518523689.db2.gz WXGSUJWNTIFRFT-UHFFFAOYSA-N 0 3 371.485 2.612 50 0 FFAAHN CCOC(=O)[C@@H]1CCCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000239358444 521115331 /nfs/dbraw/zinc/11/53/31/521115331.db2.gz NIBHEJHGWJBWBW-HBFSDRIKSA-N 0 3 361.482 2.717 50 0 FFAAHN CCCc1ccc(CN2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)o1 ZINC000091380778 521397669 /nfs/dbraw/zinc/39/76/69/521397669.db2.gz PBDPTROQPASQQO-INIZCTEOSA-N 0 3 368.485 2.985 50 0 FFAAHN CN(C1CCCC1)S(=O)(=O)NCc1ccccc1CN1CCCCC1 ZINC000089334797 522407604 /nfs/dbraw/zinc/40/76/04/522407604.db2.gz ZDQRYLUZFGTCTF-UHFFFAOYSA-N 0 3 365.543 2.881 50 0 FFAAHN O=C(NCc1cnc(C(F)(F)F)nc1)NC[C@H]1CCN1C1CCCCC1 ZINC000624331977 522613604 /nfs/dbraw/zinc/61/36/04/522613604.db2.gz OIGGMPIOPWRIDO-CQSZACIVSA-N 0 3 371.407 2.702 50 0 FFAAHN Cc1n[nH]c(C)c1CCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000078587808 526490599 /nfs/dbraw/zinc/49/05/99/526490599.db2.gz JGOHCYPJGWYAAH-UHFFFAOYSA-N 0 3 354.498 2.912 50 0 FFAAHN CC(C)N1CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)C[C@H]1CCO ZINC000104639601 535196042 /nfs/dbraw/zinc/19/60/42/535196042.db2.gz CDMMRHXWIHNPHL-HSZRJFAPSA-N 0 3 371.569 2.921 50 0 FFAAHN COc1ccc(CN(C[C@H](O)COC(C)(C)C)C[C@H]2CCCO2)cc1 ZINC000104971737 570865745 /nfs/dbraw/zinc/86/57/45/570865745.db2.gz YVTYJHGDYRRJHC-PKOBYXMFSA-N 0 3 351.487 2.852 50 0 FFAAHN CN1CCCN(CC(=O)NCC[C@H](c2ccco2)c2ccccc2)CC1 ZINC000670470843 571043869 /nfs/dbraw/zinc/04/38/69/571043869.db2.gz XHZXXEWGYFKXRS-IBGZPJMESA-N 0 3 355.482 2.555 50 0 FFAAHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000084388021 571084297 /nfs/dbraw/zinc/08/42/97/571084297.db2.gz FFBQZFAYBRZERC-AWEZNQCLSA-N 0 3 358.360 2.568 50 0 FFAAHN CN1CCN(Cc2ccc(OCC(F)(F)F)nn2)CC12CCCCC2 ZINC000585090738 571320325 /nfs/dbraw/zinc/32/03/25/571320325.db2.gz CBOGQKVDZRMGNM-UHFFFAOYSA-N 0 3 358.408 2.868 50 0 FFAAHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccn(CC(F)F)n1 ZINC000194181376 965573127 /nfs/dbraw/zinc/57/31/27/965573127.db2.gz FZEDQGJUBHQHDB-HNNXBMFYSA-N 0 3 362.424 2.885 50 0 FFAAHN O=C(N[C@@H]1CCCN(C2Cc3ccccc3C2)C1)c1n[nH]c2c1CCCC2 ZINC000012207549 988226663 /nfs/dbraw/zinc/22/66/63/988226663.db2.gz ZHWBPSFUICNKTD-QGZVFWFLSA-N 0 3 364.493 2.650 50 0 FFAAHN Cc1nc2ccccc2n1Cc1cc(C(=O)N(C)C[C@H]2CCCN2C)no1 ZINC000012444806 989446267 /nfs/dbraw/zinc/44/62/67/989446267.db2.gz JVXWLXDVCQARFD-OAHLLOKOSA-N 0 3 367.453 2.547 50 0 FFAAHN O=C1N(C2CCCC2)C[C@@H]2C[C@@H](c3cccc(OCCO)c3)N3CCC[C@@]123 ZINC000012596759 990855056 /nfs/dbraw/zinc/85/50/56/990855056.db2.gz PPQPIGAPVNEMPH-XJABCFGWSA-N 0 3 370.493 2.738 50 0 FFAAHN Cc1ccccc1CN1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000183979827 992647370 /nfs/dbraw/zinc/64/73/70/992647370.db2.gz ZOSOOJTZARIZQB-UHFFFAOYSA-N 0 3 361.449 2.738 50 0 FFAAHN C[C@@H](CN1CCc2ccccc2C1)NC(=O)CC1=CSC2=NCCCN12 ZINC000821793944 998761907 /nfs/dbraw/zinc/76/19/07/998761907.db2.gz STNMQESKBIXBDZ-HNNXBMFYSA-N 0 3 370.522 2.589 50 0 FFAAHN O=C([C@H]1CCCO1)N1CCC(NCc2coc(-c3ccccc3)n2)CC1 ZINC000827913341 999544688 /nfs/dbraw/zinc/54/46/88/999544688.db2.gz DYSPUOVGLHWXCH-GOSISDBHSA-N 0 3 355.438 2.601 50 0 FFAAHN c1cncc(CN2CCC(N3C[C@H](OCC4CC4)C34CCOCC4)CC2)c1 ZINC000581802166 999945664 /nfs/dbraw/zinc/94/56/64/999945664.db2.gz GZDNADLFGVPCID-NRFANRHFSA-N 0 3 371.525 2.706 50 0 FFAAHN O=C(NCCn1ccnc1)[C@H]1CC12CCN(C/C=C/c1ccccc1)CC2 ZINC000042460185 1000457208 /nfs/dbraw/zinc/45/72/08/1000457208.db2.gz QYTDFVBRXBYGIT-WWPOYFSUSA-N 0 3 364.493 2.815 50 0 FFAAHN Cn1nc(C(C)(C)C)cc1NC(=O)CN[C@H]1CCc2ccccc2OC1 ZINC000585080201 1008241048 /nfs/dbraw/zinc/24/10/48/1008241048.db2.gz HGIATEKNMCKGPW-HNNXBMFYSA-N 0 3 356.470 2.640 50 0 FFAAHN Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCc1ccco1)C2 ZINC000014748806 1021682381 /nfs/dbraw/zinc/68/23/81/1021682381.db2.gz JYMIRMNQNBQWES-HNNXBMFYSA-N 0 3 356.470 2.676 50 0 FFAAHN CC(C)c1ncc(C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)s1 ZINC000188157777 1023024056 /nfs/dbraw/zinc/02/40/56/1023024056.db2.gz FNFOUGCQPUBVLY-FQEVSTJZSA-N 0 3 373.522 2.976 50 0 FFAAHN CCC(C)(C)N1CCN(C(=O)NCc2cc3ccccc3n(C)c2=O)CC1 ZINC000654572431 1025102100 /nfs/dbraw/zinc/10/21/00/1025102100.db2.gz QHSBPHMVVJGHPR-UHFFFAOYSA-N 0 3 370.497 2.554 50 0 FFAAHN Cc1nn(C)c(NC(=O)CC[C@H](C)N2CCN(C)CC2)c1-c1ccccc1 ZINC001529134122 1062182231 /nfs/dbraw/zinc/18/22/31/1062182231.db2.gz WEBKIFISYJXWQK-INIZCTEOSA-N 0 3 369.513 2.750 50 0 FFAAHN COc1ccc([C@@H]2SCC(=O)N2CCN2CCCCC2)cc1OC ZINC000000717323 210266225 /nfs/dbraw/zinc/26/62/25/210266225.db2.gz UMDIHOOKNDQYIW-SFHVURJKSA-N 0 3 350.484 2.764 50 0 FFAAHN Cn1ncc(Cl)c1C(=O)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 ZINC000002761353 210076605 /nfs/dbraw/zinc/07/66/05/210076605.db2.gz RRQXVHPMBIMBOF-UHFFFAOYSA-N 0 3 362.905 2.656 50 0 FFAAHN C[C@@H](CNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1)N1CCCCC1 ZINC000058393700 212007750 /nfs/dbraw/zinc/00/77/50/212007750.db2.gz PFNDTIWVYYMEHU-IRXDYDNUSA-N 0 3 362.493 2.826 50 0 FFAAHN Cc1cc(CNC(=O)C(C)S(C)(=O)=O)ccc1Oc1ccc(F)cc1 ZINC000058279078 212001507 /nfs/dbraw/zinc/00/15/07/212001507.db2.gz VEXVYWWBRWUUQG-ZDUSSCGKSA-N 0 3 365.426 2.976 50 0 FFAAHN O=C(NCCN1CCCC1)[C@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020531093 211286211 /nfs/dbraw/zinc/28/62/11/211286211.db2.gz RMZHKSKIXQVPAC-FQEVSTJZSA-N 0 3 363.461 2.596 50 0 FFAAHN CC(=O)Nc1ccnn1C1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000020110043 211268312 /nfs/dbraw/zinc/26/83/12/211268312.db2.gz XEVUAKVFIQYVFI-UHFFFAOYSA-N 0 3 355.442 2.637 50 0 FFAAHN CCOc1cc(C(=O)NC2CCN(C)CC2)cc(OCC)c1OCC ZINC000016604390 211164755 /nfs/dbraw/zinc/16/47/55/211164755.db2.gz HMXITIHIIXOLSW-UHFFFAOYSA-N 0 3 350.459 2.707 50 0 FFAAHN O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CNCc1ccc(F)cc1 ZINC000014962802 211108864 /nfs/dbraw/zinc/10/88/64/211108864.db2.gz MDBPSJYBKPXWFR-FQEVSTJZSA-N 0 3 360.404 2.608 50 0 FFAAHN Cc1ccc(CNC(=O)[C@@H]2CNC[C@H](C(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000014752992 211100675 /nfs/dbraw/zinc/10/06/75/211100675.db2.gz STNFBUVKFHHKLW-DLBZAZTESA-N 0 3 369.440 2.615 50 0 FFAAHN CCOC(=O)c1sc(NC(=O)C2Oc3ccccc3O[C@@H]2C)nc1C ZINC000014165492 211081101 /nfs/dbraw/zinc/08/11/01/211081101.db2.gz VPBXNDUZZDFBLU-ZWNOBZJWSA-N 0 3 362.407 2.795 50 0 FFAAHN COc1cc(CNCc2ccccc2Cn2cccn2)cc2c1OCO2 ZINC000012857213 211001128 /nfs/dbraw/zinc/00/11/28/211001128.db2.gz CTMWYXNQOZKPFS-UHFFFAOYSA-N 0 3 351.406 2.959 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)[C@@H](NC(=O)C1CCC(C)CC1)C(C)C ZINC000012867341 211000020 /nfs/dbraw/zinc/00/00/20/211000020.db2.gz FDJRHCIWWPNQCN-FOIPXRHGSA-N 0 3 351.535 2.554 50 0 FFAAHN CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)CN3CCCCC3)cc21 ZINC000000811136 210274563 /nfs/dbraw/zinc/27/45/63/210274563.db2.gz APURFTXATHSXJQ-INIZCTEOSA-N 0 3 374.481 2.889 50 0 FFAAHN COc1ccc(-c2nc(-c3ccc(C(=O)NCCN(C)C)s3)no2)cc1 ZINC000065062861 221166977 /nfs/dbraw/zinc/16/69/77/221166977.db2.gz IPLYNTDOXLHBBD-UHFFFAOYSA-N 0 3 372.450 2.765 50 0 FFAAHN COc1ccccc1OC1CCN(CCC(=O)Nc2cccnc2)CC1 ZINC000065396706 221210943 /nfs/dbraw/zinc/21/09/43/221210943.db2.gz UYBMPYZPAOGKIP-UHFFFAOYSA-N 0 3 355.438 2.962 50 0 FFAAHN Cc1cccc(NC(=O)NCCNc2cc(N3CCCC3)nc(C)n2)c1 ZINC000065362470 221202363 /nfs/dbraw/zinc/20/23/63/221202363.db2.gz QCJYEWZZHKHBQX-UHFFFAOYSA-N 0 3 354.458 2.927 50 0 FFAAHN Cn1cc(C2=CCN(CCC(=O)NCc3ccc(Cl)cc3)CC2)cn1 ZINC000065432369 221218769 /nfs/dbraw/zinc/21/87/69/221218769.db2.gz NMIOKSJSLWUKMZ-UHFFFAOYSA-N 0 3 358.873 2.869 50 0 FFAAHN CN1CCC[C@H](NC(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)C1 ZINC000065488410 221224395 /nfs/dbraw/zinc/22/43/95/221224395.db2.gz CGIVYEHECPJJMJ-HOCLYGCPSA-N 0 3 350.894 2.560 50 0 FFAAHN Cc1ccc2[nH]cnc2c1NC(=O)c1ccc(CN2CC[C@H](O)C2)cc1 ZINC000067842118 221292510 /nfs/dbraw/zinc/29/25/10/221292510.db2.gz QVNMRBPKEMBOBR-INIZCTEOSA-N 0 3 350.422 2.690 50 0 FFAAHN CCCCOc1ccccc1C(=O)N1CCC2(CC1)CN(C)CCN2C ZINC000067847237 221294147 /nfs/dbraw/zinc/29/41/47/221294147.db2.gz GIZLMFRLMVKVCK-UHFFFAOYSA-N 0 3 359.514 2.718 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N(C)[C@@H](C)c3ccccn3)cnn2c1 ZINC000067850325 221295279 /nfs/dbraw/zinc/29/52/79/221295279.db2.gz HOAKFTJNOTZPQF-HNNXBMFYSA-N 0 3 366.469 2.799 50 0 FFAAHN Cc1cccc(N2CCN(CCC(=O)NCCCc3ccccn3)CC2)c1 ZINC000095387300 132210085 /nfs/dbraw/zinc/21/00/85/132210085.db2.gz XGJJDYJZIJPXKR-UHFFFAOYSA-N 0 3 366.509 2.651 50 0 FFAAHN O=C(NCC1CCN(c2ccncc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000070928917 136138568 /nfs/dbraw/zinc/13/85/68/136138568.db2.gz YUYRKORYILVOIN-UHFFFAOYSA-N 0 3 354.410 2.848 50 0 FFAAHN Cc1ccc2nc(N3CCC[C@H](O)C3)c(CN3CCCN(C)CC3)cc2c1 ZINC000072425375 136146479 /nfs/dbraw/zinc/14/64/79/136146479.db2.gz UEDFCMQZJMAZFW-FQEVSTJZSA-N 0 3 368.525 2.642 50 0 FFAAHN Cc1ncnc(N2CCN(CCCc3ccccc3)[C@H](CCO)C2)c1C ZINC000072439515 136147572 /nfs/dbraw/zinc/14/75/72/136147572.db2.gz DSOBRWVLYFYCAZ-HXUWFJFHSA-N 0 3 354.498 2.599 50 0 FFAAHN O=C(NCCN1CCCCC1)c1ccc2ncnc(N3CCCCC3)c2c1 ZINC000075550353 136150721 /nfs/dbraw/zinc/15/07/21/136150721.db2.gz XDZWARJHKXZSSF-UHFFFAOYSA-N 0 3 367.497 2.836 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000096116214 222031751 /nfs/dbraw/zinc/03/17/51/222031751.db2.gz RMRPFOMNONHARM-MRXNPFEDSA-N 0 3 372.465 2.698 50 0 biogenic FFAAHN Cn1cnnc1SCc1nc(-c2ccccc2)nn1C1CCN(C)CC1 ZINC000096137742 222040594 /nfs/dbraw/zinc/04/05/94/222040594.db2.gz GIOYCLVMEFCTPA-UHFFFAOYSA-N 0 3 369.498 2.633 50 0 FFAAHN C[C@@H]1CCCCN1C1CN(C(=O)Nc2ccccc2CN2CCOCC2)C1 ZINC000096138959 222042367 /nfs/dbraw/zinc/04/23/67/222042367.db2.gz GLOHPFWGLQVXRR-QGZVFWFLSA-N 0 3 372.513 2.609 50 0 FFAAHN Cc1nccn1Cc1nnc(C2CCN(CCSC(C)C)CC2)n1C ZINC000096148996 222049843 /nfs/dbraw/zinc/04/98/43/222049843.db2.gz BEJYSFWQCRDYCU-UHFFFAOYSA-N 0 3 362.547 2.689 50 0 FFAAHN CC(=O)c1cc(CC(=O)N2CCC(N3CCSCC3)CC2)cs1 ZINC000097636496 222201867 /nfs/dbraw/zinc/20/18/67/222201867.db2.gz CGAKUKVIMQRITB-UHFFFAOYSA-N 0 3 352.525 2.533 50 0 FFAAHN Cc1ccc(CN2CCC(CNC(=O)c3cc(C(F)(F)F)n[nH]3)CC2)o1 ZINC000097657171 222202482 /nfs/dbraw/zinc/20/24/82/222202482.db2.gz IQKTVIDGIIMHFY-UHFFFAOYSA-N 0 3 370.375 2.972 50 0 FFAAHN Cc1ccc(C[NH+]2CCC(CNC(=O)c3cc(C(F)(F)F)n[n-]3)CC2)o1 ZINC000097657171 222202485 /nfs/dbraw/zinc/20/24/85/222202485.db2.gz IQKTVIDGIIMHFY-UHFFFAOYSA-N 0 3 370.375 2.972 50 0 FFAAHN O=C(NCCN1CC[C@H](c2ccccc2)C1)c1ccc(Cn2cccn2)o1 ZINC000097694966 222205479 /nfs/dbraw/zinc/20/54/79/222205479.db2.gz GATWZRVLOJNBPT-SFHVURJKSA-N 0 3 364.449 2.744 50 0 FFAAHN O=C(NCc1ccncc1)c1cccnc1N1CCN[C@H](c2ccccc2)C1 ZINC000065255740 506275019 /nfs/dbraw/zinc/27/50/19/506275019.db2.gz HQQOCURXMGDSRV-FQEVSTJZSA-N 0 3 373.460 2.558 50 0 FFAAHN COc1cc(CNCCSc2ccc(C)cc2)ccc1OCC(N)=O ZINC000032739823 506288428 /nfs/dbraw/zinc/28/84/28/506288428.db2.gz OWVOHNZMCIFBIE-UHFFFAOYSA-N 0 3 360.479 2.750 50 0 FFAAHN O=C(NCc1ccccn1)c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1 ZINC000065312150 506286999 /nfs/dbraw/zinc/28/69/99/506286999.db2.gz HRZVATGZJXZEKF-HXUWFJFHSA-N 0 3 373.460 2.558 50 0 FFAAHN COc1ccc(NC(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1 ZINC000065361817 506288213 /nfs/dbraw/zinc/28/82/13/506288213.db2.gz UYESPOXOLSHQRR-UHFFFAOYSA-N 0 3 370.457 2.627 50 0 FFAAHN Cc1nc2cccnc2n1-c1cc(C(=O)NCCN2CCCC2)ccc1C ZINC000032932028 506314054 /nfs/dbraw/zinc/31/40/54/506314054.db2.gz LCFBJFUGPLRNEC-UHFFFAOYSA-N 0 3 363.465 2.863 50 0 FFAAHN CN(C)CCNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000003355856 506324306 /nfs/dbraw/zinc/32/43/06/506324306.db2.gz MTULJFDEMNISOO-UHFFFAOYSA-N 0 3 351.859 2.945 50 0 FFAAHN C[C@H](C(=O)NCCN1CCCC[C@H]1C)N1c2ccccc2CCCC1=O ZINC000033249780 506351008 /nfs/dbraw/zinc/35/10/08/506351008.db2.gz GYDDIDNKWJGAID-IAGOWNOFSA-N 0 3 357.498 2.735 50 0 FFAAHN CCCC[C@@H](O)C[N@@H+]1CCc2nc(Cc3ccccc3C)[n-]c(=O)c2C1 ZINC000004155582 506362967 /nfs/dbraw/zinc/36/29/67/506362967.db2.gz DNDLRUMQHLXPLZ-QGZVFWFLSA-N 0 3 355.482 2.578 50 0 FFAAHN CCCC[C@@H](O)C[N@H+]1CCc2nc(Cc3ccccc3C)[n-]c(=O)c2C1 ZINC000004155582 506362974 /nfs/dbraw/zinc/36/29/74/506362974.db2.gz DNDLRUMQHLXPLZ-QGZVFWFLSA-N 0 3 355.482 2.578 50 0 FFAAHN CC(=O)Nc1cc(C(=O)NCCCN2CCc3ccccc3C2)ccc1F ZINC000053463242 506386423 /nfs/dbraw/zinc/38/64/23/506386423.db2.gz OVSFKUBGBAXONL-UHFFFAOYSA-N 0 3 369.440 2.962 50 0 FFAAHN CSc1ncc(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)cn1 ZINC000039466194 506449447 /nfs/dbraw/zinc/44/94/47/506449447.db2.gz KGLTZPVJKIZBCP-GOSISDBHSA-N 0 3 364.559 2.647 50 0 FFAAHN CCNC(=O)[C@@H]1C[C@H](NCc2cccc(C(F)(F)F)c2)CN1C(C)C ZINC000039557962 506452025 /nfs/dbraw/zinc/45/20/25/506452025.db2.gz WECQEMYODZNYPS-HOTGVXAUSA-N 0 3 357.420 2.782 50 0 FFAAHN Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c([O-])c1 ZINC000053996518 506474323 /nfs/dbraw/zinc/47/43/23/506474323.db2.gz LYOAHZPHOOHGNR-UHFFFAOYSA-N 0 3 367.449 2.650 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)c1csc(NC(=O)c2ccccc2C)n1 ZINC000040355404 506482038 /nfs/dbraw/zinc/48/20/38/506482038.db2.gz RYNFJMGWCGDJRI-CQSZACIVSA-N 0 3 372.494 2.918 50 0 FFAAHN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCCNCCO)c1 ZINC000008395512 506647359 /nfs/dbraw/zinc/64/73/59/506647359.db2.gz PNQNSQYYUJEGAI-UHFFFAOYSA-N 0 3 368.506 2.841 50 0 FFAAHN Cn1c(=O)cc(CN(Cc2ccc(F)cc2)C2CCCCC2)n(C)c1=O ZINC000008769478 506667400 /nfs/dbraw/zinc/66/74/00/506667400.db2.gz FGGJIBFTHBKNQD-UHFFFAOYSA-N 0 3 359.445 2.558 50 0 FFAAHN Cc1ccc(CNC[C@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)cc1 ZINC000011662482 506784850 /nfs/dbraw/zinc/78/48/50/506784850.db2.gz QLPIEWMHRXUXER-OAQYLSRUSA-N 0 3 374.431 2.917 50 0 FFAAHN COC(=O)CCC(=O)N[C@@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 ZINC000012298380 506844446 /nfs/dbraw/zinc/84/44/46/506844446.db2.gz WDRSGUUUUFVUKF-LJQANCHMSA-N 0 3 360.498 2.919 50 0 FFAAHN O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1CCCn1cccn1 ZINC000012754210 506895816 /nfs/dbraw/zinc/89/58/16/506895816.db2.gz YJJOZTFLHNXDDY-LJQANCHMSA-N 0 3 364.453 2.562 50 0 FFAAHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NC[C@@H]1CCCO1 ZINC000058054807 507368464 /nfs/dbraw/zinc/36/84/64/507368464.db2.gz ZGWPPAPDCGDBNY-OALUTQOASA-N 0 3 359.514 2.938 50 0 FFAAHN Fc1ccc(/C=C/CN2CCc3nnc(Cc4cccnc4)n3CC2)cc1 ZINC000072120808 507749933 /nfs/dbraw/zinc/74/99/33/507749933.db2.gz NCXFQAOXSCHTAA-DUXPYHPUSA-N 0 3 363.440 2.975 50 0 FFAAHN CC(C)Nc1ncc(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)cn1 ZINC000072137154 507754672 /nfs/dbraw/zinc/75/46/72/507754672.db2.gz XZQKTBBSERKKCJ-LJQANCHMSA-N 0 3 367.497 2.734 50 0 FFAAHN COC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318304 507760900 /nfs/dbraw/zinc/76/09/00/507760900.db2.gz BOMZDMABBNUWFC-GOSISDBHSA-N 0 3 357.454 2.508 50 0 FFAAHN c1cc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)ccn1 ZINC000072159141 507763893 /nfs/dbraw/zinc/76/38/93/507763893.db2.gz BLJVBYYSCMRZQZ-VLCRHTCISA-N 0 3 363.461 2.873 50 0 FFAAHN Cc1nc([C@H](C)Nc2nc(-c3ccc(Cl)cc3)nc3c2CNC3)n[nH]1 ZINC000072157379 507764355 /nfs/dbraw/zinc/76/43/55/507764355.db2.gz ZGROBXVNFIOXFJ-VIFPVBQESA-N 0 3 355.833 3.000 50 0 FFAAHN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000072418658 507786527 /nfs/dbraw/zinc/78/65/27/507786527.db2.gz WDPBADCATRQZFF-PKOBYXMFSA-N 0 3 352.482 2.727 50 0 FFAAHN CNc1cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)ccn1 ZINC000072436736 507791367 /nfs/dbraw/zinc/79/13/67/507791367.db2.gz AOOKHQMJMBYQDK-UHFFFAOYSA-N 0 3 352.482 2.904 50 0 FFAAHN CCn1cc(C(=O)N(CCc2ccccc2)C2CCN(C)CC2)c(C)n1 ZINC000072462940 507793625 /nfs/dbraw/zinc/79/36/25/507793625.db2.gz RBSRNCRRNQEMFI-UHFFFAOYSA-N 0 3 354.498 2.991 50 0 FFAAHN O=C1CC[C@@]2(CCCN(CCn3ccnc3)C2)CN1Cc1ccccc1 ZINC000072457847 507793717 /nfs/dbraw/zinc/79/37/17/507793717.db2.gz BOGNKYMVCFINEC-OAQYLSRUSA-N 0 3 352.482 2.788 50 0 FFAAHN Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(Cc2ccncc2)C1 ZINC000072475695 507796408 /nfs/dbraw/zinc/79/64/08/507796408.db2.gz FNRIMCIJGYIJQR-SFHVURJKSA-N 0 3 354.502 2.576 50 0 FFAAHN CSc1ccc(CN2CCC[C@H](c3nnc(CN(C)C)n3C)C2)cc1 ZINC000072480428 507797572 /nfs/dbraw/zinc/79/75/72/507797572.db2.gz RBQZSSJTGZMMDU-INIZCTEOSA-N 0 3 359.543 2.978 50 0 FFAAHN NC(=O)CCN(C(=O)CN1CCC[C@@H]1C1CCCCC1)c1ccccc1 ZINC000052131769 507798605 /nfs/dbraw/zinc/79/86/05/507798605.db2.gz CWCBQQLELJKYOX-LJQANCHMSA-N 0 3 357.498 2.940 50 0 FFAAHN O[C@H]1CN(Cc2ccccc2)CCN(c2ncccc2C(F)(F)F)C1 ZINC000108265411 507883902 /nfs/dbraw/zinc/88/39/02/507883902.db2.gz NOIONTNZLKDKFY-HNNXBMFYSA-N 0 3 351.372 2.784 50 0 FFAAHN CC(C)(C)c1ccccc1OCC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000079110192 507933874 /nfs/dbraw/zinc/93/38/74/507933874.db2.gz WJZKNLASIREDJV-KRWDZBQOSA-N 0 3 360.498 2.732 50 0 FFAAHN Cc1cnc(CN2C[C@]3(CCCN(Cc4ccncc4)C3)CCC2=O)cn1 ZINC000091325331 507980859 /nfs/dbraw/zinc/98/08/59/507980859.db2.gz VRVUDFVZMOUNDI-OAQYLSRUSA-N 0 3 365.481 2.585 50 0 FFAAHN CN1CCN(Cc2ccc(Cl)c(F)c2)C[C@]12CCC(=O)N(C)CC2 ZINC000091350834 507982407 /nfs/dbraw/zinc/98/24/07/507982407.db2.gz VWRAGNHKPJUGLL-GOSISDBHSA-N 0 3 353.869 2.608 50 0 FFAAHN CC1(C)CN(Cc2ccccc2Cl)CC[C@]1(O)CN1CCOCC1 ZINC000091526676 507991660 /nfs/dbraw/zinc/99/16/60/507991660.db2.gz STSIFPNIAWRMBB-IBGZPJMESA-N 0 3 352.906 2.635 50 0 FFAAHN CCC[C@H]1CN(CCCC(F)(F)F)C[C@@H]1NC(=O)c1cncnc1C ZINC000091736937 508006270 /nfs/dbraw/zinc/00/62/70/508006270.db2.gz WJXXFZLLTPNADE-ZFWWWQNUSA-N 0 3 358.408 2.958 50 0 FFAAHN CN1CCc2nc[nH]c2C12CCN(Cc1ccc(-c3cc[nH]n3)s1)CC2 ZINC000091906498 508023480 /nfs/dbraw/zinc/02/34/80/508023480.db2.gz CFEOGCFVLPOLLB-UHFFFAOYSA-N 0 3 368.510 2.841 50 0 FFAAHN Cc1ccc(C)c(CC(=O)N2CCC([C@@H](C)N3CCN(C)CC3)CC2)c1 ZINC000092002138 508031225 /nfs/dbraw/zinc/03/12/25/508031225.db2.gz AFGFCDLUBKYIBZ-LJQANCHMSA-N 0 3 357.542 2.720 50 0 FFAAHN O=C(c1cccc(Cn2cccn2)c1)N1CCC(N2CCSCC2)CC1 ZINC000092028793 508034580 /nfs/dbraw/zinc/03/45/80/508034580.db2.gz KSSKASBQGMSTOH-UHFFFAOYSA-N 0 3 370.522 2.585 50 0 FFAAHN COc1ccc(CNC2=NCCN[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000075567167 508118221 /nfs/dbraw/zinc/11/82/21/508118221.db2.gz GNFXBGUGWYAKLX-IBGZPJMESA-N 0 3 355.438 2.545 50 0 FFAAHN COc1ccc(CN2C[C@H]3CC[C@H](CN3CCC(=O)NC(C)C)C2)cc1 ZINC000095356123 508174688 /nfs/dbraw/zinc/17/46/88/508174688.db2.gz WAUXZFJROHCAIB-RBUKOAKNSA-N 0 3 359.514 2.506 50 0 FFAAHN CC(C)c1nc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)cs1 ZINC000095374318 508178823 /nfs/dbraw/zinc/17/88/23/508178823.db2.gz RTBNIOZCXTUTSY-GOEBONIOSA-N 0 3 363.527 2.982 50 0 FFAAHN Nc1nc(CCC(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)cs1 ZINC000095388089 508182937 /nfs/dbraw/zinc/18/29/37/508182937.db2.gz PITVLLNNVIKNRC-SJLPKXTDSA-N 0 3 370.522 2.781 50 0 FFAAHN O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(CCc2ccncc2)CC1 ZINC000095476766 508188626 /nfs/dbraw/zinc/18/86/26/508188626.db2.gz LTDPBDDPLKKZQN-UHFFFAOYSA-N 0 3 367.478 2.534 50 0 FFAAHN Cc1ccc([C@@H]2CN(C(=O)c3cc(C(F)(F)F)n[nH]3)C[C@H]2N(C)C)cc1 ZINC000095501810 508190646 /nfs/dbraw/zinc/19/06/46/508190646.db2.gz WOSADLITTWKSEM-DZGCQCFKSA-N 0 3 366.387 2.907 50 0 FFAAHN Cc1ccc(NCCCNC(=O)[C@H]2CCCN(Cc3ccco3)C2)nc1 ZINC000095508060 508192220 /nfs/dbraw/zinc/19/22/20/508192220.db2.gz OYFDOEZTAWVYQW-KRWDZBQOSA-N 0 3 356.470 2.813 50 0 FFAAHN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)S(=O)(=O)C1CC1 ZINC000095512348 508193542 /nfs/dbraw/zinc/19/35/42/508193542.db2.gz WPQFIZFSPRIDRV-HNNXBMFYSA-N 0 3 354.491 2.504 50 0 FFAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1c(C)c(C)nc2ccc(C)cc21 ZINC000095520413 508194849 /nfs/dbraw/zinc/19/48/49/508194849.db2.gz DEJVDQDXLNQMGF-OALUTQOASA-N 0 3 355.482 2.997 50 0 FFAAHN COc1cc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)ccc1F ZINC000095522227 508194909 /nfs/dbraw/zinc/19/49/09/508194909.db2.gz TXZIHPUANRQTJU-INIZCTEOSA-N 0 3 374.460 2.612 50 0 FFAAHN Cc1cc(CC(=O)N(CCc2ccccc2)C[C@H]2CCCN(C)C2)on1 ZINC000095522815 508195078 /nfs/dbraw/zinc/19/50/78/508195078.db2.gz YOVFZIGMARQRCZ-IBGZPJMESA-N 0 3 355.482 2.939 50 0 FFAAHN CC(C)N(CCN(C)C)C(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 ZINC000095972512 508200248 /nfs/dbraw/zinc/20/02/48/508200248.db2.gz GDHZZPCDLJWEPM-UHFFFAOYSA-N 0 3 353.463 2.717 50 0 FFAAHN CCN(CC)CCN1c2c(C)nn(CC)c2C(c2ccccc2)=NCC1=O ZINC000096027577 508202997 /nfs/dbraw/zinc/20/29/97/508202997.db2.gz HYENPMMTGRMVLS-UHFFFAOYSA-N 0 3 367.497 2.737 50 0 FFAAHN O=C(c1cnn2c1CCCC2)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000082138300 508226829 /nfs/dbraw/zinc/22/68/29/508226829.db2.gz AIKZXMNEJGMNIM-UHFFFAOYSA-N 0 3 364.493 2.535 50 0 FFAAHN CCn1ccc2ccc(CN3CCC[C@@]4(CCC(=O)N(CCO)C4)C3)cc21 ZINC000077354284 508304454 /nfs/dbraw/zinc/30/44/54/508304454.db2.gz QOILHXQDUBADNZ-JOCHJYFZSA-N 0 3 369.509 2.858 50 0 FFAAHN Cn1c(CN2CCCCC2)nnc1C1CCN(Cc2ccncc2)CC1 ZINC000077356266 508304946 /nfs/dbraw/zinc/30/49/46/508304946.db2.gz MAJIQYYPSMRKDH-UHFFFAOYSA-N 0 3 354.502 2.576 50 0 FFAAHN c1sc(CN2CCCN(c3ncccn3)CC2)cc1CN1CCCC1 ZINC000214978164 509242888 /nfs/dbraw/zinc/24/28/88/509242888.db2.gz QQDYAFYTMKNOMN-UHFFFAOYSA-N 0 3 357.527 2.846 50 0 FFAAHN Cc1[nH]c2c(cccc2CN2CCCO[C@@H](CN3CCOCC3)C2)c1C ZINC000215441257 509248982 /nfs/dbraw/zinc/24/89/82/509248982.db2.gz RLAJZZBXJJXXCZ-IBGZPJMESA-N 0 3 357.498 2.708 50 0 FFAAHN Cc1nn(CCO)cc1CN1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000215803453 509253538 /nfs/dbraw/zinc/25/35/38/509253538.db2.gz IABZLAGCYQDFNT-QGZVFWFLSA-N 0 3 367.453 2.613 50 0 FFAAHN CN(C)Cc1ccc(CN(C)Cc2cnc(N3CCOCC3)s2)cc1 ZINC000216279691 509260659 /nfs/dbraw/zinc/26/06/59/509260659.db2.gz LPQPZVGXRJNAHT-UHFFFAOYSA-N 0 3 360.527 2.673 50 0 FFAAHN CN1CCN(CC[C@@H]2CCCCN2C(=O)CSc2ccccc2)CC1 ZINC000219488725 509290596 /nfs/dbraw/zinc/29/05/96/509290596.db2.gz OYQDOUKOAMLKLR-SFHVURJKSA-N 0 3 361.555 2.797 50 0 FFAAHN CN1CCC(C(=O)N2CC[C@](O)(c3ccccc3)C2)(c2ccccc2)CC1 ZINC000220683033 509302382 /nfs/dbraw/zinc/30/23/82/509302382.db2.gz APWWDONAVOFAFI-HSZRJFAPSA-N 0 3 364.489 2.770 50 0 FFAAHN CN1CCC(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)CC1 ZINC000222891759 509326252 /nfs/dbraw/zinc/32/62/52/509326252.db2.gz QJXUBHLALRCGOH-NLPFYKDJSA-N 0 3 353.466 2.505 50 0 FFAAHN O=C(NC[C@@H]1CCCN(CCO)C1)c1cccc(-c2ccccc2F)c1 ZINC000223067851 509329568 /nfs/dbraw/zinc/32/95/68/509329568.db2.gz ZQBRSYHDDYHUIR-INIZCTEOSA-N 0 3 356.441 2.927 50 0 FFAAHN O=S(=O)(NCC1CCN([C@@H]2CCSC2)CC1)c1ccccc1Cl ZINC000225572768 509377940 /nfs/dbraw/zinc/37/79/40/509377940.db2.gz OAKQJWGHLRXPPW-CQSZACIVSA-N 0 3 374.959 2.836 50 0 FFAAHN CN1CCCC(C)(C)[C@H]1CNC(=O)CCc1nnc(-c2ccccc2)o1 ZINC000225731536 509386330 /nfs/dbraw/zinc/38/63/30/509386330.db2.gz GHJLUYDULUZDMY-MRXNPFEDSA-N 0 3 356.470 2.906 50 0 FFAAHN Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000229630028 509427553 /nfs/dbraw/zinc/42/75/53/509427553.db2.gz GWJLTGJUKYBYOS-CHWSQXEVSA-N 0 3 359.499 2.759 50 0 FFAAHN CCc1ccc([C@H](CNc2cc(-n3cccn3)nc(N)n2)N(C)C)cc1 ZINC000170663854 509707572 /nfs/dbraw/zinc/70/75/72/509707572.db2.gz ZHQXUGIDNORBEK-INIZCTEOSA-N 0 3 351.458 2.522 50 0 FFAAHN Cc1c(NC(=O)CN2CCC(c3nc4ccc(F)cc4[nH]3)CC2)cnn1C ZINC000252503750 509846093 /nfs/dbraw/zinc/84/60/93/509846093.db2.gz VGNVZMMHGLHHKP-UHFFFAOYSA-N 0 3 370.432 2.562 50 0 FFAAHN O=C(CCN1CCCC[C@H]1c1ccccn1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000243956720 509856793 /nfs/dbraw/zinc/85/67/93/509856793.db2.gz CCPISCXIWRCGRI-SFHVURJKSA-N 0 3 365.437 2.807 50 0 FFAAHN CC(C)[C@@H](CO)NC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000253414258 509878931 /nfs/dbraw/zinc/87/89/31/509878931.db2.gz WXNMTSOVVRQWFZ-HXUWFJFHSA-N 0 3 352.478 2.841 50 0 FFAAHN CCc1nc(C2CCN([C@H](C)c3nc(-c4cccnc4)no3)CC2)n[nH]1 ZINC000190663486 510270164 /nfs/dbraw/zinc/27/01/64/510270164.db2.gz WGGXTXNSXSXRGC-GFCCVEGCSA-N 0 3 353.430 2.753 50 0 FFAAHN CCc1n[nH]c(C2CCN([C@H](C)c3nc(-c4cccnc4)no3)CC2)n1 ZINC000190663486 510270173 /nfs/dbraw/zinc/27/01/73/510270173.db2.gz WGGXTXNSXSXRGC-GFCCVEGCSA-N 0 3 353.430 2.753 50 0 FFAAHN CCc1nnc(C2CCN([C@H](C)c3nc(-c4cccnc4)no3)CC2)[nH]1 ZINC000190663486 510270185 /nfs/dbraw/zinc/27/01/85/510270185.db2.gz WGGXTXNSXSXRGC-GFCCVEGCSA-N 0 3 353.430 2.753 50 0 FFAAHN Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2ncc(Cl)n2C)C1 ZINC000195264292 510746499 /nfs/dbraw/zinc/74/64/99/510746499.db2.gz BYYSWDBKMNJVLD-ZDUSSCGKSA-N 0 3 353.923 2.792 50 0 FFAAHN CCN1CC[C@@H](NC(=O)N(CCc2ccccc2)Cc2cccnc2)C1 ZINC000413849059 513848212 /nfs/dbraw/zinc/84/82/12/513848212.db2.gz XFBREMIOQDMZEF-HXUWFJFHSA-N 0 3 352.482 2.930 50 0 FFAAHN O=C(NCCN1CCCC[C@@H]1CO)N1CCC(CCc2ccccc2)CC1 ZINC000426405235 513930019 /nfs/dbraw/zinc/93/00/19/513930019.db2.gz ZMJPQUBJGDCQNP-OAQYLSRUSA-N 0 3 373.541 2.888 50 0 FFAAHN CN1CC[C@@H](NC(=O)NCC2(O)CCCCC2)[C@@H](Cc2ccccc2)C1 ZINC000426504401 513962775 /nfs/dbraw/zinc/96/27/75/513962775.db2.gz BTZOHPLQWOQMBY-RBUKOAKNSA-N 0 3 359.514 2.544 50 0 FFAAHN Cc1ccc(F)c(-c2ccc(C(=O)NCC3(O)CCN(C)CC3)cc2)c1 ZINC000426535578 513972591 /nfs/dbraw/zinc/97/25/91/513972591.db2.gz AOUFXVOHHLBAHS-UHFFFAOYSA-N 0 3 356.441 2.988 50 0 FFAAHN O=C(NCc1ncc[nH]1)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 ZINC000426552417 513978362 /nfs/dbraw/zinc/97/83/62/513978362.db2.gz YHSXYEOPHFLBAT-NRFANRHFSA-N 0 3 367.497 2.998 50 0 FFAAHN COCCN1CCC[C@@H](CN(C)C(=O)NCc2ccc3[nH]c(C)cc3c2)C1 ZINC000426563434 513981638 /nfs/dbraw/zinc/98/16/38/513981638.db2.gz UJWQLLXVHUBVCX-SFHVURJKSA-N 0 3 372.513 2.976 50 0 FFAAHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cccc(-c3ccc(C(N)=O)o3)c1)C2 ZINC000426575151 513984897 /nfs/dbraw/zinc/98/48/97/513984897.db2.gz SMSJNBJBEFDXLF-OAQYLSRUSA-N 0 3 367.449 2.603 50 0 FFAAHN CCN1CCC(N(CCc2ccccn2)C(=O)NCC(C)(C)OC)CC1 ZINC000426693724 514016686 /nfs/dbraw/zinc/01/66/86/514016686.db2.gz KVUBLNIQWQLJJC-UHFFFAOYSA-N 0 3 362.518 2.545 50 0 FFAAHN C[C@H](C(=O)NCCc1ccccc1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000514096663 516860466 /nfs/dbraw/zinc/86/04/66/516860466.db2.gz UQAXBRROQVPXKJ-MJGOQNOKSA-N 0 3 352.482 2.563 50 0 FFAAHN CC1CCN(CCNC(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)CC1 ZINC000534647933 517981401 /nfs/dbraw/zinc/98/14/01/517981401.db2.gz LRGRZSCQFUQZJT-IBGZPJMESA-N 0 3 360.502 2.504 50 0 FFAAHN Cc1nc(-c2cccc(C(=O)N(CCN(C)C)C[C@@H]3CCCO3)c2)c(C)[nH]1 ZINC000584901442 518531213 /nfs/dbraw/zinc/53/12/13/518531213.db2.gz PFKQVBIFHOPJCP-IBGZPJMESA-N 0 3 370.497 2.876 50 0 FFAAHN COc1cccc(-c2cc(C(=O)N3CC(N4CCCC[C@@H]4C)C3)n[nH]2)c1 ZINC000091468941 525700480 /nfs/dbraw/zinc/70/04/80/525700480.db2.gz JFYHUAGZERDWHH-AWEZNQCLSA-N 0 3 354.454 2.784 50 0 FFAAHN Cc1nccn1CCCC(=O)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000082098590 527393556 /nfs/dbraw/zinc/39/35/56/527393556.db2.gz GCQFGRKKWCZHAJ-UHFFFAOYSA-N 0 3 366.509 2.673 50 0 FFAAHN COC[C@@H](C)NCc1cccnc1N1CCN(c2ccccc2C)CC1 ZINC000067803026 536550894 /nfs/dbraw/zinc/55/08/94/536550894.db2.gz IZMLLPJXCVUFDP-GOSISDBHSA-N 0 3 354.498 2.841 50 0 FFAAHN CCc1cnccc1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000095453113 536078635 /nfs/dbraw/zinc/07/86/35/536078635.db2.gz IADUEDFONOHDTG-UHFFFAOYSA-N 0 3 366.509 2.976 50 0 FFAAHN COc1cccc(CN(C[C@H](O)COC(C)(C)C)C[C@H]2CCCO2)c1 ZINC000104973939 570865841 /nfs/dbraw/zinc/86/58/41/570865841.db2.gz XAGUPTFYZWMLEZ-PKOBYXMFSA-N 0 3 351.487 2.852 50 0 FFAAHN C[C@@H]1CCCCN1CCNC(=O)CC1CCN(C(=O)c2ccccc2)CC1 ZINC000032974110 571146558 /nfs/dbraw/zinc/14/65/58/571146558.db2.gz LHAAIJGERBOURX-GOSISDBHSA-N 0 3 371.525 2.920 50 0 FFAAHN COCc1nc2c(cnn2C)c(N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000072144769 571172590 /nfs/dbraw/zinc/17/25/90/571172590.db2.gz WMBZUDPPUSYVKV-INIZCTEOSA-N 0 3 366.469 2.586 50 0 FFAAHN CC[C@@H]1CN(Cc2ccc(OCC(N)=O)c(Cl)c2)CCN1C(C)C ZINC000072145153 571173055 /nfs/dbraw/zinc/17/30/55/571173055.db2.gz CHZCNZOWLKVPTD-OAHLLOKOSA-N 0 3 353.894 2.509 50 0 FFAAHN COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(Cc3ccncc3)C2)c1 ZINC000012303271 571318511 /nfs/dbraw/zinc/31/85/11/571318511.db2.gz SXXSJPJLELNPMZ-QGZVFWFLSA-N 0 3 369.465 2.741 50 0 FFAAHN Cc1ccsc1C(=O)N1CCC2(CC1)C[C@H](N1CCOCC1)CCO2 ZINC000581783794 845943014 /nfs/dbraw/zinc/94/30/14/845943014.db2.gz AAPAYHBWJHGPCA-MRXNPFEDSA-N 0 3 364.511 2.543 50 0 FFAAHN O=C(NCCN1CCCCC1)[C@@H]1CCc2ncc(-c3ccc(F)cc3)n2C1 ZINC000169761268 984956287 /nfs/dbraw/zinc/95/62/87/984956287.db2.gz BCWONBZSDHKIEL-QGZVFWFLSA-N 0 3 370.472 2.854 50 0 FFAAHN CC[C@H]1CCCCN1CC(=O)Nc1ccc(NC(=O)CN(C)C)c(C)c1 ZINC000822718126 998926054 /nfs/dbraw/zinc/92/60/54/998926054.db2.gz JUGQQIYUFOJEKY-KRWDZBQOSA-N 0 3 360.502 2.698 50 0 FFAAHN O=C(NCCN1CCCC[C@@H]1CO)NCc1ccc(Cl)cc1Cl ZINC000828710778 999579491 /nfs/dbraw/zinc/57/94/91/999579491.db2.gz CVCOGHUFGBUUQC-CQSZACIVSA-N 0 3 360.285 2.639 50 0 FFAAHN COc1ccc2c(c1)C=C(CN[C@@H]1CCCc3nc(N(C)C)ncc31)CO2 ZINC000055224718 1018341561 /nfs/dbraw/zinc/34/15/61/1018341561.db2.gz MCWZYVJGPZGXIW-GOSISDBHSA-N 0 3 366.465 2.994 50 0 FFAAHN Cc1cc(=O)n(CCN2CCC[C@H](c3nc4ccccc4s3)C2)c(=O)[nH]1 ZINC001529095657 1062158754 /nfs/dbraw/zinc/15/87/54/1062158754.db2.gz RXISLMXUIQTNID-AWEZNQCLSA-N 0 3 370.478 2.747 50 0 FFAAHN O[C@@H]1CN(Cc2ccc(OC3CCCC3)cc2)C[C@H]1Cc1cnccn1 ZINC001529182588 1062208098 /nfs/dbraw/zinc/20/80/98/1062208098.db2.gz VHCYQBVZXLMXCN-DYESRHJHSA-N 0 3 353.466 2.833 50 0 FFAAHN Cc1cc(C[C@@H]2CN(Cc3cnn(-c4ccccc4Cl)c3)C[C@H]2O)n[nH]1 ZINC001529187719 1062210791 /nfs/dbraw/zinc/21/07/91/1062210791.db2.gz YIYWDTIPJBGVOD-DNVCBOLYSA-N 0 3 371.872 2.593 50 0 FFAAHN Cc1cc(C[C@@H]2CN(Cc3cnn(-c4ccccc4Cl)c3)C[C@H]2O)[nH]n1 ZINC001529187719 1062210809 /nfs/dbraw/zinc/21/08/09/1062210809.db2.gz YIYWDTIPJBGVOD-DNVCBOLYSA-N 0 3 371.872 2.593 50 0 FFAAHN CC(=O)N(C)c1ccc(-c2cccc(C(=O)N(C)CCN(C)C)c2)cc1 ZINC000299795073 210036103 /nfs/dbraw/zinc/03/61/03/210036103.db2.gz JLNCAEFDNUNXPF-UHFFFAOYSA-N 0 3 353.466 2.970 50 0 FFAAHN Cc1ccc2ncccc2c1CNC(=O)CC[C@H](C)N1CCN(C)CC1 ZINC000299791208 210033634 /nfs/dbraw/zinc/03/36/34/210033634.db2.gz CSKVEABFAXYJLX-KRWDZBQOSA-N 0 3 354.498 2.576 50 0 FFAAHN CN1CCN(CCC(=O)NCc2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC000299785170 210026816 /nfs/dbraw/zinc/02/68/16/210026816.db2.gz KDMJKMVIVDWMTK-UHFFFAOYSA-N 0 3 361.873 2.854 50 0 FFAAHN Cc1cccn2c(CC(=O)N[C@H](C)CN3CCc4ccccc4C3)cnc12 ZINC000299777904 210023628 /nfs/dbraw/zinc/02/36/28/210023628.db2.gz FYHWECSBZCVCMT-QGZVFWFLSA-N 0 3 362.477 2.748 50 0 FFAAHN Clc1cc(CN2CCCN(C[C@@H]3CCCO3)CC2)cc2c1OCCO2 ZINC000058251593 212000340 /nfs/dbraw/zinc/00/03/40/212000340.db2.gz ZCZQGZDGQLWWNQ-INIZCTEOSA-N 0 3 366.889 2.798 50 0 FFAAHN CN(C)Cc1ccc(C(=O)NCCc2cc(F)cc3c2OCOC3)cc1 ZINC000058343227 212006034 /nfs/dbraw/zinc/00/60/34/212006034.db2.gz KIPZTFNNHIBAIZ-UHFFFAOYSA-N 0 3 358.413 2.726 50 0 FFAAHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000013671473 220083120 /nfs/dbraw/zinc/08/31/20/220083120.db2.gz ZDUZIJZNEYLZED-HNNXBMFYSA-N 0 3 370.515 2.637 50 0 FFAAHN CC(C)[C@@H](CNC(=O)c1cnn2cccnc12)N1CCc2ccccc2C1 ZINC000032800693 211564155 /nfs/dbraw/zinc/56/41/55/211564155.db2.gz BQUWWJXASVUWAO-LJQANCHMSA-N 0 3 363.465 2.542 50 0 FFAAHN CCN1CCN(CCCOc2ccc(I)cc2)CC1 ZINC000020406433 211279655 /nfs/dbraw/zinc/27/96/55/211279655.db2.gz HWHRKOHTBBIBKS-UHFFFAOYSA-N 0 3 374.266 2.698 50 0 FFAAHN CCOc1ccc(NC(=O)CC2C(=O)N=C3Nc4ccccc4N32)cc1 ZINC000020102376 211268423 /nfs/dbraw/zinc/26/84/23/211268423.db2.gz NVXOGZZUUIIAKO-INIZCTEOSA-N 0 3 350.378 2.611 50 0 FFAAHN CSCC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N1CC=CCC1)[C@@H]2O ZINC000019221630 211206467 /nfs/dbraw/zinc/20/64/67/211206467.db2.gz GGSAOLJCSBTAOS-UXHICEINSA-N 0 3 372.534 2.587 50 0 FFAAHN CCOC(=O)N1CCN(C(=O)C2CCN(Cc3cccc(C)c3)CC2)CC1 ZINC000016607395 211164710 /nfs/dbraw/zinc/16/47/10/211164710.db2.gz CNBKDKUKJFIXRE-UHFFFAOYSA-N 0 3 373.497 2.508 50 0 FFAAHN COc1ccccc1[C@H](CNc1ncnc2c1cnn2C)N1CCCC1 ZINC000014216703 211085072 /nfs/dbraw/zinc/08/50/72/211085072.db2.gz YIYOWULIRGUOEH-INIZCTEOSA-N 0 3 352.442 2.621 50 0 FFAAHN CCOC(=O)c1sc(NC(=O)C2Oc3ccccc3O[C@H]2C)nc1C ZINC000014165503 211080246 /nfs/dbraw/zinc/08/02/46/211080246.db2.gz VPBXNDUZZDFBLU-GWCFXTLKSA-N 0 3 362.407 2.795 50 0 FFAAHN COc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000013648269 211046378 /nfs/dbraw/zinc/04/63/78/211046378.db2.gz ORHAKAAOTKMOJM-GJZGRUSLSA-N 0 3 354.516 2.650 50 0 FFAAHN CC(C)[C@@H](NCC(=O)N(C)Cc1ccco1)c1ccc2c(c1)OCCO2 ZINC000049625238 221025817 /nfs/dbraw/zinc/02/58/17/221025817.db2.gz VZULTAPPZZCXCT-HXUWFJFHSA-N 0 3 358.438 2.996 50 0 FFAAHN Cc1cc(C(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)c2cccc(C)c2n1 ZINC000055245174 221062689 /nfs/dbraw/zinc/06/26/89/221062689.db2.gz BWVWFVUOSRJLHD-OALUTQOASA-N 0 3 353.466 2.523 50 0 FFAAHN CN(C)CCn1nnc2cc(-c3noc(-c4cccc(F)c4)n3)ccc21 ZINC000065254990 221188813 /nfs/dbraw/zinc/18/88/13/221188813.db2.gz LJJITNSAWLXPAP-UHFFFAOYSA-N 0 3 352.373 2.849 50 0 FFAAHN CN1CC[C@]2(C1)CCCN(S(=O)(=O)c1ccc(-c3cnco3)s1)C2 ZINC000067726048 221277983 /nfs/dbraw/zinc/27/79/83/221277983.db2.gz BWTPHHQHXFWYDW-INIZCTEOSA-N 0 3 367.496 2.510 50 0 FFAAHN Cc1[nH]c2c(cccc2CN2CCc3nc(C)n(C)c(=O)c3CC2)c1C ZINC000067846846 221293879 /nfs/dbraw/zinc/29/38/79/221293879.db2.gz FZEPLIPNNYUFRM-UHFFFAOYSA-N 0 3 350.466 2.788 50 0 FFAAHN CCN(CCc1nc2cc(C)ccc2[nH]1)C(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC000067872458 221298371 /nfs/dbraw/zinc/29/83/71/221298371.db2.gz PAMRQECVNYUMFP-KRWDZBQOSA-N 0 3 366.465 2.538 50 0 FFAAHN CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC000067872458 221298372 /nfs/dbraw/zinc/29/83/72/221298372.db2.gz PAMRQECVNYUMFP-KRWDZBQOSA-N 0 3 366.465 2.538 50 0 FFAAHN COc1ccc2c(C)nc(N3CCCO[C@H](CN4CCCC4)C3)nc2c1 ZINC000067982804 221311520 /nfs/dbraw/zinc/31/15/20/221311520.db2.gz NWTGHQZZOHEPGL-QGZVFWFLSA-N 0 3 356.470 2.638 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)NCCc3cccs3)cnn2c1 ZINC000067983451 221312912 /nfs/dbraw/zinc/31/29/12/221312912.db2.gz HXOTXUJZESUOSK-UHFFFAOYSA-N 0 3 357.483 2.605 50 0 FFAAHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1Cc1ccccc1 ZINC000069386807 221325503 /nfs/dbraw/zinc/32/55/03/221325503.db2.gz VTRKPRFIFWWSNH-UXHICEINSA-N 0 3 350.462 2.870 50 0 FFAAHN CC(C)[C@H]1CN(CCn2ccnc2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071712241 221355545 /nfs/dbraw/zinc/35/55/45/221355545.db2.gz QNJQFUUCHZDWHR-LJQANCHMSA-N 0 3 358.461 2.781 50 0 FFAAHN O=C(c1ccccc1O[C@H]1CCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000071769296 221374191 /nfs/dbraw/zinc/37/41/91/221374191.db2.gz GPFOPIMCMNEDIZ-IBGZPJMESA-N 0 3 366.461 2.812 50 0 FFAAHN CCn1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000072119453 221408189 /nfs/dbraw/zinc/40/81/89/221408189.db2.gz DUNYQICYTJOPFJ-MISYRCLQSA-N 0 3 350.466 2.605 50 0 FFAAHN Cc1ccc(N2C[C@@H](Cc3ccccc3)N(C(=O)C(C)(C)N)CC2=O)cc1 ZINC000091452466 132201767 /nfs/dbraw/zinc/20/17/67/132201767.db2.gz FSWNYJATAYFRIN-LJQANCHMSA-N 0 3 365.477 2.519 50 0 FFAAHN CCCc1cc(N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)nc(C)n1 ZINC000072169447 136143717 /nfs/dbraw/zinc/14/37/17/136143717.db2.gz ZNKAJMGESAWSIU-UXHICEINSA-N 0 3 352.482 2.650 50 0 FFAAHN CN1CCC(Cc2nc(C[C@@H]3CCCOC3)n(CC(F)(F)F)n2)CC1 ZINC000096138458 222042352 /nfs/dbraw/zinc/04/23/52/222042352.db2.gz NQEJOQVROHVQDH-AWEZNQCLSA-N 0 3 360.424 2.694 50 0 FFAAHN O=C(Nc1cccc2nsnc21)N1CCC(N2CCSCC2)CC1 ZINC000096142276 222047356 /nfs/dbraw/zinc/04/73/56/222047356.db2.gz PNUPDCLHQZWECU-UHFFFAOYSA-N 0 3 363.512 2.736 50 0 FFAAHN C[C@@H](C1CCN(C(=O)Nc2cccc(N(C)C)c2)CC1)N1CCN(C)CC1 ZINC000096150497 222051473 /nfs/dbraw/zinc/05/14/73/222051473.db2.gz WSFQJTTUWNHGNL-KRWDZBQOSA-N 0 3 373.545 2.632 50 0 FFAAHN COCc1noc(CNC(=O)Nc2cccc(CN3CCCC[C@@H]3C)c2)n1 ZINC000096151130 222053877 /nfs/dbraw/zinc/05/38/77/222053877.db2.gz AZMCAIMSSAVTOJ-AWEZNQCLSA-N 0 3 373.457 2.912 50 0 FFAAHN Cc1nc2c(c(NCCCN3CCC[C@@H](O)C3)n1)Cc1ccccc1OC2 ZINC000097532403 222189646 /nfs/dbraw/zinc/18/96/46/222189646.db2.gz FEGUZNFDULENDJ-QGZVFWFLSA-N 0 3 368.481 2.527 50 0 FFAAHN COC(=O)c1ccc(/C=C\C(=O)NCc2ccccc2CN(C)C)cc1 ZINC000096891906 222136111 /nfs/dbraw/zinc/13/61/11/222136111.db2.gz IZKQMPVFBIHJAI-RAXLEYEMSA-N 0 3 352.434 2.864 50 0 FFAAHN CNC(=O)[C@H]1CCCC[C@H]1NCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000097102617 222159244 /nfs/dbraw/zinc/15/92/44/222159244.db2.gz ANZIPMJPVLJPKV-DZGCQCFKSA-N 0 3 351.878 2.790 50 0 FFAAHN Cc1ccc(CN2C[C@H]3[C@H](C(=O)NC(C)(C)C)[C@H]3C2)n1-c1cccnc1 ZINC000102593249 222301383 /nfs/dbraw/zinc/30/13/83/222301383.db2.gz KGYCLCRLRLSHBT-BWTSREIZSA-N 0 3 352.482 2.773 50 0 FFAAHN COc1cc(CN2CC[N@H+](CCC(C)C)[C@H](CCO)C2)cc(Cl)c1[O-] ZINC000104403670 222357768 /nfs/dbraw/zinc/35/77/68/222357768.db2.gz DIVVFHLEFSZQAY-MRXNPFEDSA-N 0 3 370.921 2.969 50 0 FFAAHN COc1cc(CN2CC[N@@H+](CCC(C)C)[C@H](CCO)C2)cc(Cl)c1[O-] ZINC000104403670 222357771 /nfs/dbraw/zinc/35/77/71/222357771.db2.gz DIVVFHLEFSZQAY-MRXNPFEDSA-N 0 3 370.921 2.969 50 0 FFAAHN C[C@H](CNC(=O)c1ccc(OCc2nccn2C)cc1)N1CCC[C@@H](C)C1 ZINC000106147954 222383807 /nfs/dbraw/zinc/38/38/07/222383807.db2.gz SPGFBTAWOSMMNA-IAGOWNOFSA-N 0 3 370.497 2.849 50 0 FFAAHN CC[C@@H]1CCCCN1CCNC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC000106922903 222387956 /nfs/dbraw/zinc/38/79/56/222387956.db2.gz GGBASCDEIYRMOI-HZPDHXFCSA-N 0 3 355.523 2.870 50 0 FFAAHN O=C(O[C@H]1CN2CCC1CC2)C(CO)(c1ccccc1)c1ccccc1 ZINC000000622135 506224506 /nfs/dbraw/zinc/22/45/06/506224506.db2.gz VHKOZTIPJRRUQY-FQEVSTJZSA-N 0 3 351.446 2.602 50 0 FFAAHN CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000002654008 506287049 /nfs/dbraw/zinc/28/70/49/506287049.db2.gz GMHIXVKGQDMTQO-WOJBJXKFSA-N 0 3 367.493 2.860 50 0 FFAAHN COc1ccc([C@@H](CNC(=O)c2ccc(OC)c(OC)c2)N(C)C)cc1 ZINC000002665035 506288065 /nfs/dbraw/zinc/28/80/65/506288065.db2.gz BXUDIZCEGLOSOV-QGZVFWFLSA-N 0 3 358.438 2.745 50 0 FFAAHN Cc1cc(=O)oc2cc(OC[C@@H](O)CN3CCc4ccccc4C3)ccc12 ZINC000003232093 506315013 /nfs/dbraw/zinc/31/50/13/506315013.db2.gz UIPMSQJDVSMQLR-SFHVURJKSA-N 0 3 365.429 2.899 50 0 FFAAHN CCOc1ccc(N2C(=O)C[C@H](NCCc3ccccc3F)C2=O)cc1 ZINC000003864315 506349450 /nfs/dbraw/zinc/34/94/50/506349450.db2.gz MNQODASRMQMUJM-SFHVURJKSA-N 0 3 356.397 2.689 50 0 FFAAHN Cc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)NCCN(C)C)cc1 ZINC000004803127 506395238 /nfs/dbraw/zinc/39/52/38/506395238.db2.gz LTVZJJFZTFHIHY-RGEXLXHISA-N 0 3 369.440 2.583 50 0 FFAAHN COCCN(Cc1ccccc1C)C[C@H](O)COc1ccc(OC)cc1 ZINC000036099874 506396619 /nfs/dbraw/zinc/39/66/19/506396619.db2.gz JUMLDYWYILQVDF-IBGZPJMESA-N 0 3 359.466 2.892 50 0 FFAAHN COc1cc(CNCCO)cc(Br)c1OCc1cccnc1 ZINC000004841773 506398560 /nfs/dbraw/zinc/39/85/60/506398560.db2.gz VNZZWIXZKSDDLV-UHFFFAOYSA-N 0 3 367.243 2.514 50 0 FFAAHN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000037133099 506420603 /nfs/dbraw/zinc/42/06/03/506420603.db2.gz NSQYFGBSTQTYQQ-VPWXQRGCSA-N 0 3 354.450 2.504 50 0 FFAAHN Cn1nc2nc(NCCN3CCCCC3)nc(-c3cccc(F)c3)c2c1N ZINC000037359756 506424675 /nfs/dbraw/zinc/42/46/75/506424675.db2.gz MCUCSGOLQXIZFE-UHFFFAOYSA-N 0 3 369.448 2.649 50 0 FFAAHN CCOC(=O)N1CCC(N[C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000039990617 506457999 /nfs/dbraw/zinc/45/79/99/506457999.db2.gz INSZQHFWAKWGQB-LJQANCHMSA-N 0 3 373.497 2.951 50 0 FFAAHN Cc1cc(C)nc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)n1 ZINC000040160871 506477614 /nfs/dbraw/zinc/47/76/14/506477614.db2.gz DHHJVNDIPXGHIY-UHFFFAOYSA-N 0 3 370.522 2.966 50 0 FFAAHN CN(CCOc1ccc(Cl)cc1)CCN1C(=O)c2ccccc2C1=O ZINC000006977050 506521829 /nfs/dbraw/zinc/52/18/29/506521829.db2.gz IGHSUWJRFZYTPK-UHFFFAOYSA-N 0 3 358.825 2.947 50 0 FFAAHN C[C@H](O)c1ccc(-c2ccc(CNCCCSc3nnnn3C)o2)cc1 ZINC000007541278 506569052 /nfs/dbraw/zinc/56/90/52/506569052.db2.gz SJKTVMJPZDHVBP-ZDUSSCGKSA-N 0 3 373.482 2.795 50 0 FFAAHN COC[C@@H](C)NC(=O)C1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000055054303 506667876 /nfs/dbraw/zinc/66/78/76/506667876.db2.gz IAUIMYFCIQVOAV-CQSZACIVSA-N 0 3 374.460 2.579 50 0 FFAAHN CCN(CC)CCn1c2ccccc2[nH]c1=NC(=O)c1scnc1C ZINC000043285969 506728024 /nfs/dbraw/zinc/72/80/24/506728024.db2.gz OHSWJWPBUVXCJM-UHFFFAOYSA-N 0 3 357.483 3.395 50 0 FFAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CCOC ZINC000011879669 506802138 /nfs/dbraw/zinc/80/21/38/506802138.db2.gz YNFPGBZRFDIGQG-GOSISDBHSA-N 0 3 350.478 2.965 50 0 FFAAHN O=C(NCC1CCN(Cc2ccsc2)CC1)[C@H]1COc2ccccc2O1 ZINC000043971765 506802268 /nfs/dbraw/zinc/80/22/68/506802268.db2.gz ZZKZNMXNQMSPJY-LJQANCHMSA-N 0 3 372.490 2.916 50 0 FFAAHN Cc1ncc(CN2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3=O)n1C ZINC000011935556 506802760 /nfs/dbraw/zinc/80/27/60/506802760.db2.gz DGGOFJGGCRURGP-OAQYLSRUSA-N 0 3 370.472 2.882 50 0 FFAAHN CN(C)CCN(Cc1ccccc1)C(=O)c1cn(C2CCCCC2)nn1 ZINC000011933498 506803605 /nfs/dbraw/zinc/80/36/05/506803605.db2.gz KCBDFOUYBANTAM-UHFFFAOYSA-N 0 3 355.486 2.987 50 0 FFAAHN COc1cc(CN2CC[C@]3(C2)CCCN(CC2CC2)C3=O)cc(OC)c1 ZINC000011957893 506806488 /nfs/dbraw/zinc/80/64/88/506806488.db2.gz KJDBMFROUWNGLS-NRFANRHFSA-N 0 3 358.482 2.928 50 0 FFAAHN Cc1ncc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)[nH]1 ZINC000012434144 506864068 /nfs/dbraw/zinc/86/40/68/506864068.db2.gz BMVYJRFXNCZROG-UHFFFAOYSA-N 0 3 368.481 2.998 50 0 FFAAHN CCCOc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)cc1 ZINC000012441468 506864655 /nfs/dbraw/zinc/86/46/55/506864655.db2.gz XEUZDOGEDZBCKT-UHFFFAOYSA-N 0 3 354.516 2.874 50 0 FFAAHN COc1ccc(CCN[C@H](C(=O)NC2CC2)c2ccccc2)cc1OC ZINC000024517658 507418278 /nfs/dbraw/zinc/41/82/78/507418278.db2.gz LYOWFIFNUBUNII-FQEVSTJZSA-N 0 3 354.450 2.856 50 0 FFAAHN C[C@H](CNC(=O)[C@@H](C)Oc1ccc(F)cc1Br)N1CCCC1 ZINC000048128655 507458640 /nfs/dbraw/zinc/45/86/40/507458640.db2.gz ZUZQIBBWWZYEMH-VXGBXAGGSA-N 0 3 373.266 2.956 50 0 FFAAHN C[C@@H](CNC(=O)NC[C@@H]1CCN(c2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000049198165 507605445 /nfs/dbraw/zinc/60/54/45/507605445.db2.gz BXYZIONQJQONMS-QYZOEREBSA-N 0 3 358.530 2.933 50 0 FFAAHN N[C@@H]1c2ccccc2C2(CCN(C(=O)c3cc4ccccc4[nH]3)CC2)[C@H]1O ZINC000072121660 507750061 /nfs/dbraw/zinc/75/00/61/507750061.db2.gz ZTRGDDKKRRXVFH-UXHICEINSA-N 0 3 361.445 2.716 50 0 FFAAHN Cc1ccc([C@@H]2CN(C(=O)c3ccnc(N)c3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072125304 507751596 /nfs/dbraw/zinc/75/15/96/507751596.db2.gz MLGORCWBCQXIIL-CEWLAPEOSA-N 0 3 362.477 2.675 50 0 FFAAHN Cc1ccc(Sc2ccc(CN3CCO[C@]4(C3)CNCCOC4)o2)cc1 ZINC000072149996 507760749 /nfs/dbraw/zinc/76/07/49/507760749.db2.gz PERNWHUTJJMSEZ-FQEVSTJZSA-N 0 3 374.506 2.930 50 0 FFAAHN CCc1nnc(CN2C[C@@H](c3ccccc3OC)[C@@H]3[C@H]2C2CCN3CC2)o1 ZINC000072152242 507761468 /nfs/dbraw/zinc/76/14/68/507761468.db2.gz RXCSPTQCRBDFNO-ZLGUVYLKSA-N 0 3 368.481 2.703 50 0 FFAAHN Cc1ccc([C@H]2CN(C(=O)c3ccc(CO)o3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072161298 507765817 /nfs/dbraw/zinc/76/58/17/507765817.db2.gz MUGPHYYBIIQPSU-HMXCVIKNSA-N 0 3 366.461 2.783 50 0 FFAAHN Cc1ccc(Cl)c(O[C@H](C)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000072278353 507772771 /nfs/dbraw/zinc/77/27/71/507772771.db2.gz HEDDQHBHQKNXRA-CVEARBPZSA-N 0 3 368.905 2.985 50 0 FFAAHN COc1ccccc1CN1CCC[C@@H](c2nnc(CN3CCCC3)n2C)C1 ZINC000072407743 507784876 /nfs/dbraw/zinc/78/48/76/507784876.db2.gz IPZZIOUULXPXSZ-GOSISDBHSA-N 0 3 369.513 2.799 50 0 FFAAHN Nc1ncccc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 ZINC000072418829 507786286 /nfs/dbraw/zinc/78/62/86/507786286.db2.gz FUZYQWZSRJZMHP-MAUKXSAKSA-N 0 3 370.522 2.781 50 0 FFAAHN CCC[C@H](C)N1CC2(CCN(CC(C)(C)N3CCOCC3)CC2)OC1=O ZINC000072462924 507793613 /nfs/dbraw/zinc/79/36/13/507793613.db2.gz BIUOGQNWOICHCR-KRWDZBQOSA-N 0 3 367.534 2.573 50 0 FFAAHN O=C1CC[C@]2(CCCN(CCn3ccnc3)C2)CN1Cc1ccccc1 ZINC000072457845 507794048 /nfs/dbraw/zinc/79/40/48/507794048.db2.gz BOGNKYMVCFINEC-NRFANRHFSA-N 0 3 352.482 2.788 50 0 FFAAHN c1cn(Cc2nc3c(s2)CCCC3)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072475440 507796003 /nfs/dbraw/zinc/79/60/03/507796003.db2.gz XQARJKAPRMTTJK-UHFFFAOYSA-N 0 3 354.483 2.624 50 0 FFAAHN COc1cccc(-n2cc(CN(C)C(=O)[C@@H]3CCCCCN3C)cn2)c1 ZINC000072478970 507797167 /nfs/dbraw/zinc/79/71/67/507797167.db2.gz LFWKRLKIZKHWLE-IBGZPJMESA-N 0 3 356.470 2.714 50 0 FFAAHN CCc1ccc(C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cc1 ZINC000091416864 507984140 /nfs/dbraw/zinc/98/41/40/507984140.db2.gz AJAPSIJWNOGXTI-UHFFFAOYSA-N 0 3 371.525 2.655 50 0 FFAAHN Cc1nn(CC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)c(C)c1C ZINC000091656245 508000389 /nfs/dbraw/zinc/00/03/89/508000389.db2.gz FNKHSVFNVZJUCW-LEWJYISDSA-N 0 3 366.509 2.931 50 0 FFAAHN Cc1nn(CCO)cc1CN1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000091951293 508026849 /nfs/dbraw/zinc/02/68/49/508026849.db2.gz DLQLJAMRQLSLKC-OAQYLSRUSA-N 0 3 371.481 2.757 50 0 FFAAHN CCCCOCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095355798 508174485 /nfs/dbraw/zinc/17/44/85/508174485.db2.gz SQIXKSMHNVTXHG-KSEOMHKRSA-N 0 3 372.509 2.901 50 0 FFAAHN Cc1ccc(CN2CCC[C@H](c3nnc(Cn4ccnc4C)n3C)C2)o1 ZINC000095361521 508176032 /nfs/dbraw/zinc/17/60/32/508176032.db2.gz XMBWWFBFMMKSEL-INIZCTEOSA-N 0 3 354.458 2.649 50 0 FFAAHN COCCCN1CC2(CC1=O)CCN(Cc1ccc3c(c1)C[C@H](C)O3)CC2 ZINC000095364450 508176575 /nfs/dbraw/zinc/17/65/75/508176575.db2.gz YKWAJPZDTCTWOG-KRWDZBQOSA-N 0 3 372.509 2.861 50 0 FFAAHN O=C(NCc1nc2cc(F)ccc2[nH]1)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000095383654 508181898 /nfs/dbraw/zinc/18/18/98/508181898.db2.gz HDOLYAIKSFBUFM-CYBMUJFWSA-N 0 3 356.401 2.823 50 0 FFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000095387281 508183016 /nfs/dbraw/zinc/18/30/16/508183016.db2.gz BPWJEICXAILSQL-HNNXBMFYSA-N 0 3 359.449 2.995 50 0 FFAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000095387280 508183107 /nfs/dbraw/zinc/18/31/07/508183107.db2.gz BPWJEICXAILSQL-OAHLLOKOSA-N 0 3 359.449 2.995 50 0 FFAAHN O=C1CCC(=O)N1CCN1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000095452686 508185603 /nfs/dbraw/zinc/18/56/03/508185603.db2.gz FFHILWFTDUXUMC-UHFFFAOYSA-N 0 3 370.280 2.655 50 0 FFAAHN CS[C@H]1CN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C[C@H]1N(C)C ZINC000095444661 508186016 /nfs/dbraw/zinc/18/60/16/508186016.db2.gz UVZZRJXSFROBHE-CVEARBPZSA-N 0 3 364.902 2.643 50 0 FFAAHN CN1CCN([C@H]2CCCCN(C(=O)Nc3cc(F)cc(F)c3)C2)CC1 ZINC000095453998 508186481 /nfs/dbraw/zinc/18/64/81/508186481.db2.gz WGBNPIOHTRMBAD-KRWDZBQOSA-N 0 3 352.429 2.599 50 0 FFAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2ccnnc2)C1 ZINC000095496993 508189976 /nfs/dbraw/zinc/18/99/76/508189976.db2.gz DSBQLUOUPZONAH-QGZVFWFLSA-N 0 3 368.481 2.512 50 0 FFAAHN COc1cccc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)c1C ZINC000095506356 508192000 /nfs/dbraw/zinc/19/20/00/508192000.db2.gz WWIXWZHSZVFOIO-KRWDZBQOSA-N 0 3 370.497 2.782 50 0 FFAAHN O[C@@H]1CN(Cc2ccccc2)CCN(c2ncccc2C(F)(F)F)C1 ZINC000095512227 508193219 /nfs/dbraw/zinc/19/32/19/508193219.db2.gz NOIONTNZLKDKFY-OAHLLOKOSA-N 0 3 351.372 2.784 50 0 FFAAHN O[C@H]1CN(Cc2ccc(-c3cc[nH]n3)s2)CCN(Cc2ccccc2)C1 ZINC000095513163 508193429 /nfs/dbraw/zinc/19/34/29/508193429.db2.gz LUAKRNONSBUVPW-QGZVFWFLSA-N 0 3 368.506 2.817 50 0 FFAAHN CCc1nccn1CCC(=O)N1C[C@@H](c2ccc(C)cc2)[C@H](N(C)C)C1 ZINC000095518921 508194119 /nfs/dbraw/zinc/19/41/19/508194119.db2.gz CCWAUSYOJYGRAJ-RBUKOAKNSA-N 0 3 354.498 2.700 50 0 FFAAHN CS[C@H]1CN(C(=O)Nc2cccc(-c3noc(C)n3)c2)C[C@H]1N(C)C ZINC000095996518 508200505 /nfs/dbraw/zinc/20/05/05/508200505.db2.gz NTTMPAYMUAXCMN-CABCVRRESA-N 0 3 361.471 2.554 50 0 FFAAHN COc1ccc(CCNCC(=O)c2ccc(NC(C)=O)cc2)cc1OC ZINC000096027717 508202950 /nfs/dbraw/zinc/20/29/50/508202950.db2.gz XYWNVFAGPOKFBQ-UHFFFAOYSA-N 0 3 356.422 2.677 50 0 FFAAHN C[C@H](CN1CC2(CCN(CCC(=O)N(C)C)CC2)OC1=O)c1ccccc1 ZINC000077287292 508296131 /nfs/dbraw/zinc/29/61/31/508296131.db2.gz DNDSAGOSPBMEDI-QGZVFWFLSA-N 0 3 373.497 2.555 50 0 FFAAHN Cc1nccn1CC[C@H]1CCCCN1Cc1nc2ccccc2[nH]c1=O ZINC000077408023 508312521 /nfs/dbraw/zinc/31/25/21/508312521.db2.gz NOQWHNVGRDHISR-MRXNPFEDSA-N 0 3 351.454 2.873 50 0 FFAAHN Cc1nnc(CCC(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)[n-]1 ZINC000077438770 508315716 /nfs/dbraw/zinc/31/57/16/508315716.db2.gz XUCWWLIACGDNGU-GOSISDBHSA-N 0 3 355.486 2.861 50 0 FFAAHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cnc(Cc2ccccc2)s1 ZINC000087304162 508346659 /nfs/dbraw/zinc/34/66/59/508346659.db2.gz JQGHMRRSQQBNHF-KRWDZBQOSA-N 0 3 373.522 2.917 50 0 FFAAHN CN1CCC(O)(CNC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000223144252 509330711 /nfs/dbraw/zinc/33/07/11/509330711.db2.gz MXXSAASSBJRANF-UHFFFAOYSA-N 0 3 350.768 2.545 50 0 FFAAHN CN1CCN(CC[C@@H]2CCCCN2C(=O)Cc2cccc(F)c2F)CC1 ZINC000223596469 509341787 /nfs/dbraw/zinc/34/17/87/509341787.db2.gz VVZHSNXDVQJLAE-KRWDZBQOSA-N 0 3 365.468 2.526 50 0 FFAAHN CC(C)(CNC(=O)CCc1cncc([O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000170595784 509673536 /nfs/dbraw/zinc/67/35/36/509673536.db2.gz SSAGZTXBSQVHQI-UHFFFAOYSA-N 0 3 353.466 2.673 50 0 FFAAHN CC(C)(CNC(=O)CCc1cncc([O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000170595784 509673539 /nfs/dbraw/zinc/67/35/39/509673539.db2.gz SSAGZTXBSQVHQI-UHFFFAOYSA-N 0 3 353.466 2.673 50 0 FFAAHN CC(C)(CNC(=O)CCc1cncc(O)c1)N1CCc2ccccc2C1 ZINC000170595784 509673540 /nfs/dbraw/zinc/67/35/40/509673540.db2.gz SSAGZTXBSQVHQI-UHFFFAOYSA-N 0 3 353.466 2.673 50 0 FFAAHN O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)C1(N2CCCC2)CCCC1 ZINC000244701262 509865854 /nfs/dbraw/zinc/86/58/54/509865854.db2.gz KDCQBOAWMRJAOS-VAMGGRTRSA-N 0 3 356.510 2.893 50 0 FFAAHN CN1CC[C@H]2CN(C(=O)Cc3ccccc3OCc3ccccc3)C[C@H]21 ZINC000244874453 509876349 /nfs/dbraw/zinc/87/63/49/509876349.db2.gz XBNBVLMJYZJZAU-VQTJNVASSA-N 0 3 350.462 2.971 50 0 FFAAHN CCOCC(=O)N1CCC(N2C[C@@H](OCC3CC3)C23CCCCC3)CC1 ZINC000257184101 509948809 /nfs/dbraw/zinc/94/88/09/509948809.db2.gz TWZUJJWJTYGMMZ-LJQANCHMSA-N 0 3 364.530 2.828 50 0 FFAAHN CC(C)N1C(=O)C2(CCCC2)[C@@H]1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000257189289 509951863 /nfs/dbraw/zinc/95/18/63/509951863.db2.gz IDVKEGCTIQPLAS-SFHVURJKSA-N 0 3 361.530 2.643 50 0 FFAAHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc2c(c1)CCN2C(=O)C(C)(C)C ZINC000371931973 512640360 /nfs/dbraw/zinc/64/03/60/512640360.db2.gz PWXWYQWGNXUHSN-KSSFIOAISA-N 0 3 369.509 2.834 50 0 FFAAHN CN(CCNc1cc([C@@H]2CCOC2)ncn1)Cc1ccc(Cl)c(F)c1 ZINC000426359091 513913527 /nfs/dbraw/zinc/91/35/27/513913527.db2.gz PTWKVENYIBWLKV-CQSZACIVSA-N 0 3 364.852 3.317 50 0 FFAAHN CCN1CCC[C@@H]1CSc1nnc(CNC)n1-c1cccc(OC)c1 ZINC000426423040 513935776 /nfs/dbraw/zinc/93/57/76/513935776.db2.gz NTNDMMRIFDXCGS-OAHLLOKOSA-N 0 3 361.515 2.572 50 0 FFAAHN COCCCN(C(=O)NCc1cccc2[nH]ccc21)C1CCN(C)CC1 ZINC000426434770 513940160 /nfs/dbraw/zinc/94/01/60/513940160.db2.gz AFUBGKCGFBGFCX-UHFFFAOYSA-N 0 3 358.486 2.810 50 0 FFAAHN CN1CCC(N(CCc2ccccc2)C(=O)NC[C@]2(C)CCCO2)CC1 ZINC000426534353 513972839 /nfs/dbraw/zinc/97/28/39/513972839.db2.gz CBGYDMLTILERRK-NRFANRHFSA-N 0 3 359.514 2.904 50 0 FFAAHN Nc1ncc(-c2cccc(C(=O)N3CCCC[C@@H]3CN3CCCC3)c2)cn1 ZINC000426580624 513985219 /nfs/dbraw/zinc/98/52/19/513985219.db2.gz BAKOTZCGUSXXIC-LJQANCHMSA-N 0 3 365.481 2.816 50 0 FFAAHN CN(C(=O)c1ccc(-c2ccc(Cl)c(C(N)=O)c2)cc1)[C@H]1CCN(C)C1 ZINC000534584990 517953530 /nfs/dbraw/zinc/95/35/30/517953530.db2.gz ALHWFERVYCBBKI-INIZCTEOSA-N 0 3 371.868 2.882 50 0 FFAAHN NC(=O)c1cc(-c2cccc(C(=O)NCCN3CCCC3)c2)ccc1Cl ZINC000534587497 517954067 /nfs/dbraw/zinc/95/40/67/517954067.db2.gz GKCIKUBTBAOTRN-UHFFFAOYSA-N 0 3 371.868 2.932 50 0 FFAAHN Cc1cccc2oc(CNC(=O)N3CCC(N4CCSCC4)CC3)nc21 ZINC000534661172 517989391 /nfs/dbraw/zinc/98/93/91/517989391.db2.gz WQJJFNMMUGPUNU-UHFFFAOYSA-N 0 3 374.510 2.859 50 0 FFAAHN CCOC(=O)c1cc(-c2ccc(C(=O)N3CC[C@H](N(C)C)C3)cc2)c(C)[nH]1 ZINC000584888749 518522864 /nfs/dbraw/zinc/52/28/64/518522864.db2.gz LBPLSXIPLDUEFF-KRWDZBQOSA-N 0 3 369.465 2.943 50 0 FFAAHN CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1csc(CN(C)C)n1)C2 ZINC000091474218 519430299 /nfs/dbraw/zinc/43/02/99/519430299.db2.gz DIBVZHUQBBQTAI-HZPDHXFCSA-N 0 3 362.543 2.707 50 0 FFAAHN CCCS(=O)(=O)C(C)C(=O)n1ccc(C)cc1=NC1CCCCC1 ZINC000606442651 521068521 /nfs/dbraw/zinc/06/85/21/521068521.db2.gz YKKAXXHKFXNKQK-OAHLLOKOSA-N 0 3 352.500 2.883 50 0 FFAAHN c1ncn(-c2cncc(N3CCN(Cc4cccc5ccccc54)CC3)n2)n1 ZINC000619967987 521973865 /nfs/dbraw/zinc/97/38/65/521973865.db2.gz MLEJXPKTDHRKGF-UHFFFAOYSA-N 0 3 371.448 2.533 50 0 FFAAHN CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2cccc(N(C)C)c2C)C1 ZINC000626480985 522221255 /nfs/dbraw/zinc/22/12/55/522221255.db2.gz FGWJGVJPCMLQSJ-HHXXYDBFSA-N 0 3 360.502 2.824 50 0 FFAAHN COc1cccc(CCC(=O)N2CCC([C@H](C)N3CCOCC3)CC2)c1 ZINC000072474744 525878466 /nfs/dbraw/zinc/87/84/66/525878466.db2.gz IAQLHEXYYNHBTF-KRWDZBQOSA-N 0 3 360.498 2.587 50 0 FFAAHN Cc1ccc(-n2cccn2)c(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c1 ZINC000020454956 525911547 /nfs/dbraw/zinc/91/15/47/525911547.db2.gz VJZFBJABFOELGF-NRFANRHFSA-N 0 3 368.525 2.992 50 0 FFAAHN CSc1nnc(CC2CCN(Cc3ccc4c(c3)OCCO4)CC2)n1C ZINC000082099221 526227157 /nfs/dbraw/zinc/22/71/57/526227157.db2.gz HHNUXAVTQDQVPL-UHFFFAOYSA-N 0 3 374.510 2.763 50 0 FFAAHN c1cnn(Cc2ccc(CN3C[C@H]4CC[C@@H]3CN(c3cnccn3)C4)cc2)c1 ZINC000091655962 526555676 /nfs/dbraw/zinc/55/56/76/526555676.db2.gz XGRZLYXOFKBELH-NHCUHLMSSA-N 0 3 374.492 2.822 50 0 FFAAHN Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000089925362 527454656 /nfs/dbraw/zinc/45/46/56/527454656.db2.gz AXZDKVCTONMGHQ-IBGZPJMESA-N 0 3 351.454 2.551 50 0 FFAAHN Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(-c3cc[nH]n3)s2)CC1 ZINC000214952787 527455352 /nfs/dbraw/zinc/45/53/52/527455352.db2.gz XDWQCLDTQYFORH-KRWDZBQOSA-N 0 3 357.483 2.817 50 0 FFAAHN Cn1cnnc1CC1CCN(Cc2cccc(Cn3cccn3)c2)CC1 ZINC000082126503 527520847 /nfs/dbraw/zinc/52/08/47/527520847.db2.gz OWABZJPYEGGESE-UHFFFAOYSA-N 0 3 350.470 2.515 50 0 FFAAHN CCCOCCN1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000072148649 535233317 /nfs/dbraw/zinc/23/33/17/535233317.db2.gz FNIFBEIQCPGTEK-LJQANCHMSA-N 0 3 361.530 2.708 50 0 FFAAHN NC(=O)C1CCN(Cc2cccc(NC(=O)CCc3ccccc3)c2)CC1 ZINC000048341994 570948208 /nfs/dbraw/zinc/94/82/08/570948208.db2.gz IPIUEJDXXWRHIA-UHFFFAOYSA-N 0 3 365.477 2.955 50 0 FFAAHN CN(C)c1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)cn1 ZINC000048711447 570959281 /nfs/dbraw/zinc/95/92/81/570959281.db2.gz ZGYMMFPRMACUNQ-UHFFFAOYSA-N 0 3 351.410 2.556 50 0 FFAAHN O=S(=O)(CCOc1ccccc1)NCC1(N2CCCCC2)CCCC1 ZINC000670451081 571352663 /nfs/dbraw/zinc/35/26/63/571352663.db2.gz BVJNAQUSXIIWQA-UHFFFAOYSA-N 0 3 366.527 2.784 50 0 FFAAHN COc1ccc2c(C[N@@H+]3CCC[C@@H](c4cc(=O)[n-]cn4)C3)cn(C)c2c1 ZINC000032558342 986521208 /nfs/dbraw/zinc/52/12/08/986521208.db2.gz BIYHTJLYTBAQMR-CQSZACIVSA-N 0 3 352.438 2.650 50 0 FFAAHN COc1ccc2c(C[N@H+]3CCC[C@@H](c4cc(=O)[n-]cn4)C3)cn(C)c2c1 ZINC000032558342 986521215 /nfs/dbraw/zinc/52/12/15/986521215.db2.gz BIYHTJLYTBAQMR-CQSZACIVSA-N 0 3 352.438 2.650 50 0 FFAAHN CC(C)(C)c1cc(CN2CCC[C@@H](CNC(=O)c3cscn3)C2)n[nH]1 ZINC000828210176 999561316 /nfs/dbraw/zinc/56/13/16/999561316.db2.gz WPCZNGQOLRUNEP-ZDUSSCGKSA-N 0 3 361.515 2.806 50 0 FFAAHN CC(C)NC(=O)N1CCC(Cc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000581810484 999948682 /nfs/dbraw/zinc/94/86/82/999948682.db2.gz WOGFUPKKVVPFSQ-UHFFFAOYSA-N 0 3 372.557 2.807 50 0 FFAAHN Cc1ncc(CN2CCC[C@@H]2C(=O)Nc2ccc(-n3ccnc3C)cc2)[nH]1 ZINC000042484219 1000485205 /nfs/dbraw/zinc/48/52/05/1000485205.db2.gz WIYSBSXPJFGCTQ-LJQANCHMSA-N 0 3 364.453 2.815 50 0 FFAAHN CC(C)c1nc(CCN(C)C(=O)[C@H]2CCCN(Cc3ccco3)C2)no1 ZINC000055042387 1018246073 /nfs/dbraw/zinc/24/60/73/1018246073.db2.gz HRKDMWBWCHOOFM-HNNXBMFYSA-N 0 3 360.458 2.699 50 0 FFAAHN COC[C@@H]1CCCN(C(=O)C2(N3CCCCC3)Cc3ccccc3C2)C1 ZINC000014951921 1021730006 /nfs/dbraw/zinc/73/00/06/1021730006.db2.gz ZMGZDCDFOOVDBS-GOSISDBHSA-N 0 3 356.510 2.895 50 0 FFAAHN COc1cccc(CN2CCN(Cc3cc(C(C)C)[nH]n3)C[C@H]2CCO)c1 ZINC000039518766 1022786168 /nfs/dbraw/zinc/78/61/68/1022786168.db2.gz VPICAIZNQAYUFB-LJQANCHMSA-N 0 3 372.513 2.611 50 0 FFAAHN COCCOCCN(CCc1ccc(OC)c(OC)c1)Cc1ccncc1 ZINC001529144193 1062186199 /nfs/dbraw/zinc/18/61/99/1062186199.db2.gz RJGMBPPJJYPAQJ-UHFFFAOYSA-N 0 3 374.481 2.807 50 0 FFAAHN Cc1nn(C)c(C)c1/C=C\C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000096309343 210239217 /nfs/dbraw/zinc/23/92/17/210239217.db2.gz JZIUPMCLNPTYTJ-KHPPLWFESA-N 0 3 358.461 2.780 50 0 FFAAHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1OC(F)F ZINC000299801010 210039455 /nfs/dbraw/zinc/03/94/55/210039455.db2.gz UTEMZTIQHZQNIY-AWEZNQCLSA-N 0 3 354.397 2.661 50 0 FFAAHN Cc1cc(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)n(C2CCCC2)n1 ZINC000299793040 210034299 /nfs/dbraw/zinc/03/42/99/210034299.db2.gz IXBZHAYSUJYQKX-QGZVFWFLSA-N 0 3 363.506 2.881 50 0 FFAAHN O=C(N[C@@H]1CNCC[C@H]1O)c1cccc(-c2cccc(C(F)(F)F)c2)c1 ZINC000299784529 210027523 /nfs/dbraw/zinc/02/75/23/210027523.db2.gz OQLBBFGWXQQDDV-IAGOWNOFSA-N 0 3 364.367 2.825 50 0 FFAAHN COCCN1CCC(CN(C)C(=O)Nc2cc(C)nn2CC(C)C)CC1 ZINC000299780848 210024687 /nfs/dbraw/zinc/02/46/87/210024687.db2.gz DNAKGBAHHRSCDG-UHFFFAOYSA-N 0 3 365.522 2.670 50 0 FFAAHN Cc1ccc(N(C)C)cc1NC(=O)N1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000299762394 210013492 /nfs/dbraw/zinc/01/34/92/210013492.db2.gz VUPYSSIOVHEBIA-GOSISDBHSA-N 0 3 373.545 2.552 50 0 FFAAHN CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000059337127 212016208 /nfs/dbraw/zinc/01/62/08/212016208.db2.gz WHGLYHPTKLTQMK-PMACEKPBSA-N 0 3 368.477 2.831 50 0 FFAAHN Cc1ccc([C@H](CNC(=O)[C@@H](C)NC(=O)c2ccco2)N2CCCC2)cc1 ZINC000058430914 212011004 /nfs/dbraw/zinc/01/10/04/212011004.db2.gz DWROLBSPKPHPIC-AEFFLSMTSA-N 0 3 369.465 2.660 50 0 FFAAHN Cn1c2ccc(NC(=O)c3ccc(CN4CCCC4)cc3)cc2n(C)c1=O ZINC000013677490 220085027 /nfs/dbraw/zinc/08/50/27/220085027.db2.gz MWTFLKOKXPIULF-UHFFFAOYSA-N 0 3 364.449 2.725 50 0 FFAAHN Cc1ccc(OC[C@@H](O)CN[C@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 ZINC000025368188 211427327 /nfs/dbraw/zinc/42/73/27/211427327.db2.gz FEMOJTRGCBCLQI-XLIONFOSSA-N 0 3 366.465 2.975 50 0 FFAAHN NCc1cn(C[C@@H]2CCCN(Cc3cnc(-c4ccccc4)s3)C2)nn1 ZINC000023430388 211388776 /nfs/dbraw/zinc/38/87/76/211388776.db2.gz ZULRZHZCZGBPKV-OAHLLOKOSA-N 0 3 368.510 2.773 50 0 FFAAHN CN(C)[C@@H](CNC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccccc1 ZINC000022315335 211346903 /nfs/dbraw/zinc/34/69/03/211346903.db2.gz VELVQVQPBDCZIC-ICSRJNTNSA-N 0 3 365.477 2.997 50 0 FFAAHN CN(C(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)C1CCN(C)CC1 ZINC000020617075 211291567 /nfs/dbraw/zinc/29/15/67/211291567.db2.gz PXZCJMNTNYJBSN-UHFFFAOYSA-N 0 3 360.405 2.820 50 0 FFAAHN Cc1ncc2c(c1-c1noc(-c3ccc(-n4ccnc4)cc3)n1)CCNC2 ZINC000020539065 211286303 /nfs/dbraw/zinc/28/63/03/211286303.db2.gz BBAAELVZLZUPSU-UHFFFAOYSA-N 0 3 358.405 2.938 50 0 FFAAHN COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000020500875 211283808 /nfs/dbraw/zinc/28/38/08/211283808.db2.gz HHAKUAJFLTUUIH-SFHVURJKSA-N 0 3 357.454 2.570 50 0 FFAAHN c1ccc(C[C@@H]2CN(C3CCN(Cc4cccnc4)CC3)CCO2)cc1 ZINC000019335396 211217199 /nfs/dbraw/zinc/21/71/99/211217199.db2.gz WNMMAJRDSIVOAV-JOCHJYFZSA-N 0 3 351.494 2.990 50 0 FFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)N[C@@H]1COc2ccccc2C1 ZINC000015787216 211144163 /nfs/dbraw/zinc/14/41/63/211144163.db2.gz YTAYGLIKHYKUJQ-FQEVSTJZSA-N 0 3 365.477 2.954 50 0 FFAAHN COc1cc([C@H]2ON=C(CN3CCCCC3)[C@@H]2C)c(OC)c2c1OCO2 ZINC000015082560 211121002 /nfs/dbraw/zinc/12/10/02/211121002.db2.gz MFULGJJVWYIHNX-LRDDRELGSA-N 0 3 362.426 2.982 50 0 FFAAHN COC[C@@H](C)N1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCC(C)C ZINC000014732750 211098965 /nfs/dbraw/zinc/09/89/65/211098965.db2.gz BLSXTYVUHJJKRL-QGZVFWFLSA-N 0 3 367.534 2.822 50 0 FFAAHN CCOc1cc(CNCCOC)ccc1Oc1nnnn1-c1ccccc1 ZINC000013729645 211054491 /nfs/dbraw/zinc/05/44/91/211054491.db2.gz YMMCUFUMZZDGPT-UHFFFAOYSA-N 0 3 369.425 2.589 50 0 FFAAHN O=C(CCN1CC[C@@](O)(c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000000889979 210286547 /nfs/dbraw/zinc/28/65/47/210286547.db2.gz XJVJPVLPZVERKG-NRFANRHFSA-N 0 3 353.418 2.624 50 0 FFAAHN CN(C)C[C@H](O)COc1cc2ccccc2cc1C(=O)N1CCCCC1 ZINC000000864182 210282326 /nfs/dbraw/zinc/28/23/26/210282326.db2.gz XMYLAJNYZJSVSX-SFHVURJKSA-N 0 3 356.466 2.767 50 0 FFAAHN CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCN(C)C)c2c1 ZINC000000791329 210270116 /nfs/dbraw/zinc/27/01/16/210270116.db2.gz RCEQZOJLFPGJIV-UHFFFAOYSA-N 0 3 359.426 2.562 50 0 aggregator FFAAHN CN1CCC(Oc2ccc(CNC(=O)COc3ccc(F)cc3)cc2)CC1 ZINC000065362684 221202691 /nfs/dbraw/zinc/20/26/91/221202691.db2.gz KBVZAFNBJGCDNU-UHFFFAOYSA-N 0 3 372.440 2.994 50 0 FFAAHN CN(CCCn1cnc2sc3c(c2c1=O)CCNC3)c1ccccc1 ZINC000065370657 221204347 /nfs/dbraw/zinc/20/43/47/221204347.db2.gz FVFIJOALIIISLE-UHFFFAOYSA-N 0 3 354.479 2.630 50 0 FFAAHN CN(C)Cc1csc([C@H]2CC(=O)Nc3c2cnn3Cc2ccncc2)c1 ZINC000065423745 221217437 /nfs/dbraw/zinc/21/74/37/221217437.db2.gz HFKGBVNKPVGGNJ-HNNXBMFYSA-N 0 3 367.478 2.924 50 0 FFAAHN O=C1OCC2(CCN(Cc3cc4cc5c(cc4[nH]c3=O)CCC5)CC2)O1 ZINC000067672946 221268124 /nfs/dbraw/zinc/26/81/24/221268124.db2.gz SXGWZDPXRJXHLE-UHFFFAOYSA-N 0 3 354.406 2.518 50 0 FFAAHN Cc1cccc(O[C@@H](C(=O)N2CCC3(CC2)CN(C)CCN3C)C(C)C)c1 ZINC000067712809 221273160 /nfs/dbraw/zinc/27/31/60/221273160.db2.gz NPTNEANRKJQLRS-HXUWFJFHSA-N 0 3 373.541 2.637 50 0 FFAAHN Cc1cccc(N2CCN(CCC(=O)N(C)[C@H](C)c3ccon3)CC2)c1 ZINC000095354067 132207199 /nfs/dbraw/zinc/20/71/99/132207199.db2.gz LOOHRXKFFCURJP-QGZVFWFLSA-N 0 3 356.470 2.715 50 0 FFAAHN Cc1cc(N2CCC[C@@]3(CN(C)C(=O)O3)C2)c2cc3c(cc2n1)OCO3 ZINC000072434533 136147083 /nfs/dbraw/zinc/14/70/83/136147083.db2.gz XMRLDXIEJSMQCJ-LJQANCHMSA-N 0 3 355.394 2.693 50 0 FFAAHN CCOCc1nc([C@@H]2CC(=O)Nc3ccccc32)n(C2CCN(C)CC2)n1 ZINC000095528944 221955681 /nfs/dbraw/zinc/95/56/81/221955681.db2.gz LCPVOHOOWZNKKW-MRXNPFEDSA-N 0 3 369.469 2.555 50 0 FFAAHN CC(=O)c1ccc(-c2nc(C)nc(N(C)C3CCN(C)CC3)c2N)cc1 ZINC000096282121 222109748 /nfs/dbraw/zinc/10/97/48/222109748.db2.gz DDXHLSLFBKUYHL-UHFFFAOYSA-N 0 3 353.470 2.767 50 0 FFAAHN CCn1nc(C2(c3ccccc3)CC2)nc1CC[C@@H](C)N1CCN(C)CC1 ZINC000096140335 222043918 /nfs/dbraw/zinc/04/39/18/222043918.db2.gz MOPYSCVUVNPPBJ-GOSISDBHSA-N 0 3 367.541 2.946 50 0 FFAAHN Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NCCN1CCC(C)CC1 ZINC000097327389 222175419 /nfs/dbraw/zinc/17/54/19/222175419.db2.gz BEYPGCMTONOPJB-UHFFFAOYSA-N 0 3 361.877 2.691 50 0 FFAAHN COCCc1nc([C@@](C)(N)Cc2ccccc2)n(-c2cccc(C)n2)n1 ZINC000097653950 222202892 /nfs/dbraw/zinc/20/28/92/222202892.db2.gz SUYDJHPCDJVVRV-FQEVSTJZSA-N 0 3 351.454 2.576 50 0 FFAAHN CC(C)CCN1CCN(Cc2cnn(-c3ccccc3F)c2)C[C@H]1CCO ZINC000104330450 222356160 /nfs/dbraw/zinc/35/61/60/222356160.db2.gz SPWCWRDODUGSRS-LJQANCHMSA-N 0 3 374.504 2.926 50 0 FFAAHN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccncc3)C2)CC1 ZINC000019772127 263376765 /nfs/dbraw/zinc/37/67/65/263376765.db2.gz YWONLIDLFZLPNU-HXUWFJFHSA-N 0 3 366.509 2.877 50 0 FFAAHN CCOCCCNC(=O)C1CCN(Cc2cccc3cccnc32)CC1 ZINC000052673090 506227983 /nfs/dbraw/zinc/22/79/83/506227983.db2.gz VUBRXPMZFWVJOD-UHFFFAOYSA-N 0 3 355.482 2.990 50 0 FFAAHN O[C@@H](CNCc1ccc2c(c1)OCO2)CO[C@@H]1CCCc2ccccc21 ZINC000003430274 506331389 /nfs/dbraw/zinc/33/13/89/506331389.db2.gz ZLLGYPNWRMFMKE-PKOBYXMFSA-N 0 3 355.434 2.960 50 0 FFAAHN CC(C)CCN1C[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CC1=O ZINC000034918493 506373723 /nfs/dbraw/zinc/37/37/23/506373723.db2.gz XAHUYXOOQUXVMK-LJQANCHMSA-N 0 3 371.525 2.662 50 0 FFAAHN CN1CCC(NC(=S)NC2(c3ccc(Br)cc3)CC2)CC1 ZINC000066010898 506409416 /nfs/dbraw/zinc/40/94/16/506409416.db2.gz RBLKARDRCQJJDR-UHFFFAOYSA-N 0 3 368.344 2.997 50 0 FFAAHN C[C@H](N[C@H](Cc1ccccc1)c1ccccc1)C(=O)NC(=O)NC1CC1 ZINC000040017906 506458387 /nfs/dbraw/zinc/45/83/87/506458387.db2.gz FNXMLIZQKCYOFS-HNAYVOBHSA-N 0 3 351.450 2.937 50 0 FFAAHN CN(C)CCn1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O ZINC000040397244 506481159 /nfs/dbraw/zinc/48/11/59/506481159.db2.gz UPQNPJWUIBHYQJ-UHFFFAOYSA-N 0 3 367.840 2.926 50 0 FFAAHN CCOC(=O)c1ccc(OC[C@@H](O)CN(C)Cc2cccc(OC)c2)cc1 ZINC000009550223 506703699 /nfs/dbraw/zinc/70/36/99/506703699.db2.gz MJLSFIVNCXTTKG-SFHVURJKSA-N 0 3 373.449 2.744 50 0 FFAAHN COc1ccc(/C=C/CN2CCC3(CC[C@@H](CNC(C)=O)O3)CC2)cc1 ZINC000011981061 506805539 /nfs/dbraw/zinc/80/55/39/506805539.db2.gz JGHAKYCNUPFBML-YADGQWAMSA-N 0 3 358.482 2.858 50 0 FFAAHN O=C(CCC1CCN(Cc2cccc3nonc32)CC1)NC[C@H]1CCCO1 ZINC000012026653 506809802 /nfs/dbraw/zinc/80/98/02/506809802.db2.gz GPVDUEBDFIAXIK-QGZVFWFLSA-N 0 3 372.469 2.510 50 0 FFAAHN O=C(NC1CCCC1)c1cn([C@H]2CCCN(Cc3ccccc3)C2)nn1 ZINC000012333135 506851541 /nfs/dbraw/zinc/85/15/41/506851541.db2.gz OKZCFUDDXRNCQL-SFHVURJKSA-N 0 3 353.470 2.788 50 0 FFAAHN CCCN1CCC(NC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)CC1 ZINC000012456401 506867616 /nfs/dbraw/zinc/86/76/16/506867616.db2.gz HAPZZHDHITXFKM-UHFFFAOYSA-N 0 3 361.877 2.584 50 0 FFAAHN CN(CCc1ccccc1)[C@H]1CCCN(C(=O)CCN2CCCCO2)C1 ZINC000012587580 506882377 /nfs/dbraw/zinc/88/23/77/506882377.db2.gz JDPVHJUEHLBUOY-FQEVSTJZSA-N 0 3 359.514 2.569 50 0 FFAAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000020999664 507240381 /nfs/dbraw/zinc/24/03/81/507240381.db2.gz SYGJKURXQUNLAS-FQEVSTJZSA-N 0 3 366.509 2.877 50 0 FFAAHN O=C(Cc1csc(Cc2ccc(F)cc2)n1)N[C@H]1CCN(C2CC2)C1 ZINC000057555092 507286868 /nfs/dbraw/zinc/28/68/68/507286868.db2.gz YOOHJVIMLPCPPE-HNNXBMFYSA-N 0 3 359.470 2.768 50 0 FFAAHN Cc1ccc([C@H](CNC(=O)CN(C)C(=O)c2cccs2)N(C)C)cc1 ZINC000058180781 507380734 /nfs/dbraw/zinc/38/07/34/507380734.db2.gz XHBRURQHPNUXQN-INIZCTEOSA-N 0 3 359.495 2.548 50 0 FFAAHN COCCOc1ccc(CNC(=O)c2cccc(CN3CCCC3)c2)cn1 ZINC000058201037 507383750 /nfs/dbraw/zinc/38/37/50/507383750.db2.gz GWGBKVBMWVLTGR-UHFFFAOYSA-N 0 3 369.465 2.633 50 0 FFAAHN CCN1CCN(CCCNC(=O)[C@H](C)Oc2cc(C)ccc2Cl)CC1 ZINC000058225121 507389661 /nfs/dbraw/zinc/38/96/61/507389661.db2.gz DGZNVABSDIOQSN-INIZCTEOSA-N 0 3 367.921 2.560 50 0 FFAAHN CN(C)Cc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000025321674 507488346 /nfs/dbraw/zinc/48/83/46/507488346.db2.gz CMROXEUMSLNTCM-GOSISDBHSA-N 0 3 369.465 2.510 50 0 FFAAHN Cc1ccccc1CNCc1cccc(NC(=O)CCN2CCOCC2)c1 ZINC000048778045 507563938 /nfs/dbraw/zinc/56/39/38/507563938.db2.gz NPBSKROSYLUSFF-UHFFFAOYSA-N 0 3 367.493 2.946 50 0 FFAAHN COc1ccc(CNC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000028353202 507722104 /nfs/dbraw/zinc/72/21/04/507722104.db2.gz TXBJKSQZELOXNN-UHFFFAOYSA-N 0 3 353.466 2.943 50 0 FFAAHN N[C@@H]1c2ccccc2C2(CCN(C(=O)c3cnc4ccccc4c3)CC2)[C@H]1O ZINC000072123894 507751814 /nfs/dbraw/zinc/75/18/14/507751814.db2.gz AIPASIXMEMLSNN-RTWAWAEBSA-N 0 3 373.456 2.783 50 0 FFAAHN CCOC(=O)c1ccc(CN2CCC[C@@]3(C2)c2ccccc2N(C)C3=O)o1 ZINC000072132035 507753759 /nfs/dbraw/zinc/75/37/59/507753759.db2.gz QNJLRZDINLVZFB-OAQYLSRUSA-N 0 3 368.433 2.967 50 0 FFAAHN O=C(c1cc(C2CC2)[nH]n1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 ZINC000072163702 507766335 /nfs/dbraw/zinc/76/63/35/507766335.db2.gz GWCXZKKINDJNTE-GOSISDBHSA-N 0 3 350.466 2.602 50 0 FFAAHN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N(C)[C@@H]3CCCN(C)C3)C2)c1 ZINC000072295489 507772833 /nfs/dbraw/zinc/77/28/33/507772833.db2.gz AAHKRSUTXWMMQJ-AZUAARDMSA-N 0 3 371.525 2.708 50 0 FFAAHN CC[C@H]1CCCCN1CCNC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC000072309570 507775258 /nfs/dbraw/zinc/77/52/58/507775258.db2.gz GGBASCDEIYRMOI-HOTGVXAUSA-N 0 3 355.523 2.870 50 0 FFAAHN CC(C)(O)CCc1ccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000072418782 507786300 /nfs/dbraw/zinc/78/63/00/507786300.db2.gz LNPDBQZLJNZLNY-HXUWFJFHSA-N 0 3 374.525 2.763 50 0 FFAAHN Cc1cc(C(=O)NCc2c(C)ncc3c2CCNC3)c2ccc(F)cc2n1 ZINC000072419564 507786672 /nfs/dbraw/zinc/78/66/72/507786672.db2.gz PPUFMTYPCSNYRN-UHFFFAOYSA-N 0 3 364.424 2.961 50 0 FFAAHN Cn1cc(Cl)c(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)n1 ZINC000072425742 507788657 /nfs/dbraw/zinc/78/86/57/507788657.db2.gz DWEOETZJFGNVCW-UHFFFAOYSA-N 0 3 358.873 2.736 50 0 FFAAHN CN(C)Cc1csc(-c2nccn2-c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000072439604 507792056 /nfs/dbraw/zinc/79/20/56/507792056.db2.gz BIALOEQWAILCND-UHFFFAOYSA-N 0 3 367.478 2.853 50 0 FFAAHN CSCCCN1C(=O)CC[C@H]2CN(Cc3c(C)n[nH]c3C)CC[C@H]21 ZINC000072469525 507794400 /nfs/dbraw/zinc/79/44/00/507794400.db2.gz UFDBAHCODPRJBD-DOTOQJQBSA-N 0 3 350.532 2.593 50 0 FFAAHN CCN1CCC[C@H]1CN1Cc2c(cccc2C(=O)N2CCC(F)CC2)C1=O ZINC000072475543 507796340 /nfs/dbraw/zinc/79/63/40/507796340.db2.gz DUIJEEOLTNQPPV-INIZCTEOSA-N 0 3 373.472 2.701 50 0 FFAAHN COC(=O)c1ccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc1Cl ZINC000072540069 507804600 /nfs/dbraw/zinc/80/46/00/507804600.db2.gz XVXFZGUACVHQLH-QWHCGFSZSA-N 0 3 351.834 2.827 50 0 FFAAHN Cc1nccn1Cc1nnc(C2CCN(CCC(F)(F)F)CC2)n1C ZINC000091486690 507990056 /nfs/dbraw/zinc/99/00/56/507990056.db2.gz DKQDUDRCXHFKKF-UHFFFAOYSA-N 0 3 356.396 2.500 50 0 FFAAHN Cc1nn(C)cc1CN1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 ZINC000091550419 507992171 /nfs/dbraw/zinc/99/21/71/507992171.db2.gz CFOIKXDAWXTVBM-UHFFFAOYSA-N 0 3 367.497 2.528 50 0 FFAAHN COc1ccc(F)c(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)c1F ZINC000091644425 507999837 /nfs/dbraw/zinc/99/98/37/507999837.db2.gz OQEXOEFPXSPKHI-ZIAGYGMSSA-N 0 3 350.409 2.920 50 0 FFAAHN C[C@@H]1CN(C[C@@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091779360 508012216 /nfs/dbraw/zinc/01/22/16/508012216.db2.gz MJQPFEDERXXYLM-YALNPMBYSA-N 0 3 370.896 2.629 50 0 FFAAHN CC(=O)c1ccc(C(=O)N2CCC(c3nccn3CCN(C)C)CC2)s1 ZINC000091847276 508019044 /nfs/dbraw/zinc/01/90/44/508019044.db2.gz OQSIAWATWTVBSM-UHFFFAOYSA-N 0 3 374.510 2.729 50 0 FFAAHN Cc1ccc(C)c(CC(=O)N2CCC([C@H](C)N3CCN(C)CC3)CC2)c1 ZINC000092002140 508031286 /nfs/dbraw/zinc/03/12/86/508031286.db2.gz AFGFCDLUBKYIBZ-IBGZPJMESA-N 0 3 357.542 2.720 50 0 FFAAHN CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3cccn3C)n[nH]1)C2 ZINC000092080982 508041422 /nfs/dbraw/zinc/04/14/22/508041422.db2.gz UMPLPFVAVJVOLP-IAGOWNOFSA-N 0 3 367.497 2.918 50 0 FFAAHN CC(C)OCCN1CCC(NC(=O)C2=NO[C@@H](c3ccccc3)C2)CC1 ZINC000075092009 508081670 /nfs/dbraw/zinc/08/16/70/508081670.db2.gz OOFYYCHOIHMSBW-LJQANCHMSA-N 0 3 359.470 2.510 50 0 FFAAHN Cc1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)c2cccnc12 ZINC000075358645 508101424 /nfs/dbraw/zinc/10/14/24/508101424.db2.gz VLLJFKQRGSKXGN-UHFFFAOYSA-N 0 3 359.495 2.792 50 0 FFAAHN O=C(NCc1ccccc1-n1cccn1)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095355531 508174670 /nfs/dbraw/zinc/17/46/70/508174670.db2.gz RDUPXSQXIFAYKN-SFHVURJKSA-N 0 3 364.449 2.994 50 0 FFAAHN Cc1cc(C)c2c(ncnc2NCC2(N3CCN(C)CC3)CCCC2)n1 ZINC000095388748 508183094 /nfs/dbraw/zinc/18/30/94/508183094.db2.gz FWRMLEUOWVTAKL-UHFFFAOYSA-N 0 3 354.502 2.614 50 0 FFAAHN COc1cc(CNc2cnn(CCN3CCCCC3)c2)cc2c1OCO2 ZINC000095462162 508187339 /nfs/dbraw/zinc/18/73/39/508187339.db2.gz WFYMCHRVUAKDGI-UHFFFAOYSA-N 0 3 358.442 2.718 50 0 FFAAHN Cc1ccc(F)cc1CC(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 ZINC000095497723 508189617 /nfs/dbraw/zinc/18/96/17/508189617.db2.gz NVEZWHWFJXZJLQ-KRWDZBQOSA-N 0 3 372.488 2.841 50 0 FFAAHN CN(C[C@@H]1Cc2ccccc2CN1C)c1cc(C(=O)N2CCCC2)ccn1 ZINC000095501459 508190772 /nfs/dbraw/zinc/19/07/72/508190772.db2.gz CVRKBVMYHIHFDO-FQEVSTJZSA-N 0 3 364.493 2.811 50 0 FFAAHN O=S(=O)(CCCN[C@H]1CCc2cc3c(cc21)OCCO3)c1ccccc1 ZINC000095967485 508200070 /nfs/dbraw/zinc/20/00/70/508200070.db2.gz SARQSJWJFYAEEN-SFHVURJKSA-N 0 3 373.474 2.899 50 0 FFAAHN OC[C@H]1CCN(Cc2ccc3ccn(Cc4ccccc4)c3c2)C[C@@H]1O ZINC000097757813 508229565 /nfs/dbraw/zinc/22/95/65/508229565.db2.gz QMGGMQLFSCZULL-IRLDBZIGSA-N 0 3 350.462 2.865 50 0 FFAAHN c1cc(CN2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)ccn1 ZINC000077299245 508296962 /nfs/dbraw/zinc/29/69/62/508296962.db2.gz IQPZWGAPMMPLOG-UHFFFAOYSA-N 0 3 366.513 2.983 50 0 FFAAHN O=c1c2c(ncn1CCc1c[nH]c3ccccc13)sc1c2CCNC1 ZINC000077353674 508303854 /nfs/dbraw/zinc/30/38/54/508303854.db2.gz QXZNTWJUZFSING-UHFFFAOYSA-N 0 3 350.447 2.828 50 0 FFAAHN c1cnn(Cc2ccccc2CN2CCCC[C@H]2CN2CCOCC2)c1 ZINC000077471962 508320466 /nfs/dbraw/zinc/32/04/66/508320466.db2.gz IURCHSIRQBCKNG-NRFANRHFSA-N 0 3 354.498 2.618 50 0 FFAAHN CC(C)c1cc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)n(C)n1 ZINC000077540511 508330789 /nfs/dbraw/zinc/33/07/89/508330789.db2.gz ODVPIPLAPXTFHE-UHFFFAOYSA-N 0 3 366.509 2.859 50 0 FFAAHN COCc1cc(CN2CCN(C3CCSCC3)CC2)ccc1OC ZINC000215248702 509246844 /nfs/dbraw/zinc/24/68/44/509246844.db2.gz WPAAIOAVSRPKHD-UHFFFAOYSA-N 0 3 350.528 2.855 50 0 FFAAHN COc1cccc([C@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)c1OC ZINC000215541136 509248726 /nfs/dbraw/zinc/24/87/26/509248726.db2.gz NZFPDHDWKYCVQS-INIZCTEOSA-N 0 3 365.437 2.873 50 0 FFAAHN COc1cccc([C@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)c1OC ZINC000215541136 509248732 /nfs/dbraw/zinc/24/87/32/509248732.db2.gz NZFPDHDWKYCVQS-INIZCTEOSA-N 0 3 365.437 2.873 50 0 FFAAHN COc1cccc([C@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)c1OC ZINC000215541136 509248736 /nfs/dbraw/zinc/24/87/36/509248736.db2.gz NZFPDHDWKYCVQS-INIZCTEOSA-N 0 3 365.437 2.873 50 0 FFAAHN COc1cccc([C@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)c1OC ZINC000215541136 509248740 /nfs/dbraw/zinc/24/87/40/509248740.db2.gz NZFPDHDWKYCVQS-INIZCTEOSA-N 0 3 365.437 2.873 50 0 FFAAHN O=C(c1ccc2ccccc2n1)N1CCCO[C@H](CN2CCCCC2)C1 ZINC000216315872 509260165 /nfs/dbraw/zinc/26/01/65/509260165.db2.gz BKAAHMQENIWOEH-GOSISDBHSA-N 0 3 353.466 2.952 50 0 FFAAHN C[C@H](Cc1cnccn1)N(C)C(=O)C1(c2ccccc2)CCN(C)CC1 ZINC000220613626 509301969 /nfs/dbraw/zinc/30/19/69/509301969.db2.gz UVTGEZMJYMPNHU-QGZVFWFLSA-N 0 3 352.482 2.530 50 0 FFAAHN CCOc1ccc(CC(=O)N2CCCO[C@@H](CN3CCCCC3)C2)cc1 ZINC000221216199 509306841 /nfs/dbraw/zinc/30/68/41/509306841.db2.gz OCEHOMDELFTRQJ-FQEVSTJZSA-N 0 3 360.498 2.731 50 0 FFAAHN CCCN1CCCN(C(=O)Nc2cc(F)c(C(=O)OC)c(F)c2)CC1 ZINC000225785073 509388674 /nfs/dbraw/zinc/38/86/74/509388674.db2.gz DVFRCLCIMVCZPA-UHFFFAOYSA-N 0 3 355.385 2.701 50 0 FFAAHN C[C@H](CC(=O)Nc1ccccc1)N1CCCN(C(=O)c2ccoc2)CC1 ZINC000170591808 509673641 /nfs/dbraw/zinc/67/36/41/509673641.db2.gz YKNCWUJLDAIUTE-MRXNPFEDSA-N 0 3 355.438 2.845 50 0 FFAAHN Cc1nn(C)c2ncc(CN3CC[C@H](CNc4cccc(C)n4)C3)cc12 ZINC000237865420 509756920 /nfs/dbraw/zinc/75/69/20/509756920.db2.gz DDSCGJLSSAIVFK-MRXNPFEDSA-N 0 3 350.470 2.914 50 0 FFAAHN CN(CCC(=O)Nc1nnc(C2CC2)s1)Cc1ccc2nsnc2c1 ZINC000244773995 509869719 /nfs/dbraw/zinc/86/97/19/509869719.db2.gz PKIRBLYMZIPUFK-UHFFFAOYSA-N 0 3 374.495 2.881 50 0 FFAAHN CN(CCN1CCCCC1=O)Cc1ccc2c3c1cccc3C(=O)OC2 ZINC000244828551 509871922 /nfs/dbraw/zinc/87/19/22/509871922.db2.gz TYGAKRJUVZMSGW-UHFFFAOYSA-N 0 3 352.434 2.955 50 0 FFAAHN Cc1noc([C@@]23CN(C(=O)c4ccccc4)C[C@@H]2CCN(CC(C)C)C3)n1 ZINC000257183781 509947753 /nfs/dbraw/zinc/94/77/53/509947753.db2.gz HYFXCHFPOVGQBX-RXVVDRJESA-N 0 3 368.481 2.750 50 0 FFAAHN COC[C@@H]1CN(Cc2ccc3c(c2)CCO3)C[C@H]1c1nc(C2CC2)no1 ZINC000257182984 509947925 /nfs/dbraw/zinc/94/79/25/509947925.db2.gz HBGYQDQCVNTYHK-DLBZAZTESA-N 0 3 355.438 2.744 50 0 FFAAHN O=C(C[C@H]1CCc2nnc(C3CCCC3)n2CC1)NCCN1CCCCC1 ZINC000257190248 509952394 /nfs/dbraw/zinc/95/23/94/509952394.db2.gz LQKIZMZSBQDGJJ-KRWDZBQOSA-N 0 3 373.545 2.880 50 0 FFAAHN OCCN1CCCn2ccnc2[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000257193142 509953589 /nfs/dbraw/zinc/95/35/89/509953589.db2.gz XHXGXWADTOVXAA-FQEVSTJZSA-N 0 3 354.498 2.534 50 0 FFAAHN Cc1ccc2ncc(C(=O)N3C[C@@H]4CCCN4Cc4ccccc43)c(=O)n2c1 ZINC000298250720 511223769 /nfs/dbraw/zinc/22/37/69/511223769.db2.gz DNSHDBWPAWKGMC-KRWDZBQOSA-N 0 3 374.444 2.628 50 0 FFAAHN CCCN1CCC[C@@H](NC(=O)N2CCCOc3c(cccc3OC)C2)C1 ZINC000426485529 513954426 /nfs/dbraw/zinc/95/44/26/513954426.db2.gz GFRKABKKVSMUHI-QGZVFWFLSA-N 0 3 361.486 2.864 50 0 FFAAHN CN1CCC(N(CCc2ccccc2)C(=O)NC[C@@]2(C)CCCO2)CC1 ZINC000426534355 513973054 /nfs/dbraw/zinc/97/30/54/513973054.db2.gz CBGYDMLTILERRK-OAQYLSRUSA-N 0 3 359.514 2.904 50 0 FFAAHN CCc1cc(Cl)ccc1NC(=O)NCCCN1CCC(C(N)=O)CC1 ZINC000426621558 513997491 /nfs/dbraw/zinc/99/74/91/513997491.db2.gz FDSACMGHHCUVJP-UHFFFAOYSA-N 0 3 366.893 2.611 50 0 FFAAHN Cc1n[nH]c2c1CN(C(=O)NCCN1CC[C@@H](c3ccccc3C)C1)CC2 ZINC000426641299 514004050 /nfs/dbraw/zinc/00/40/50/514004050.db2.gz AJVLFOIHTRUFOY-QGZVFWFLSA-N 0 3 367.497 2.584 50 0 FFAAHN CC(C)C[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)c1ncnn1C ZINC000534653758 517984306 /nfs/dbraw/zinc/98/43/06/517984306.db2.gz GGVLDIMQBXUORE-KRWDZBQOSA-N 0 3 362.522 2.562 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2ccc(F)c(C(N)=O)c2)cc1 ZINC000534663480 517990407 /nfs/dbraw/zinc/99/04/07/517990407.db2.gz XSBTYHYGVWEZIJ-QGZVFWFLSA-N 0 3 369.440 2.806 50 0 FFAAHN CCn1ccnc1C1CCN(CCC(=O)NCc2ccccc2OC)CC1 ZINC000091656053 523526638 /nfs/dbraw/zinc/52/66/38/523526638.db2.gz HHNJKZDXLXCFGP-UHFFFAOYSA-N 0 3 370.497 2.798 50 0 FFAAHN CN1CCC(Nc2ccccc2NC(=O)CCNC(=O)c2ccco2)CC1 ZINC000083877673 523777191 /nfs/dbraw/zinc/77/71/91/523777191.db2.gz RDQLNMNICVHFKO-UHFFFAOYSA-N 0 3 370.453 2.544 50 0 FFAAHN CN1CCN(CCCNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[C@@H](c2ccccc2)C1 ZINC000242284637 523897446 /nfs/dbraw/zinc/89/74/46/523897446.db2.gz YIJRWLCCJBJQOF-MHTWAQMVSA-N 0 3 355.526 2.918 50 0 FFAAHN C[C@H](NCc1ccc(CN2CCN(C)CC2)cc1)c1cccc(CO)c1 ZINC000089905167 525438672 /nfs/dbraw/zinc/43/86/72/525438672.db2.gz CAOHFYAWGZYXGP-SFHVURJKSA-N 0 3 353.510 2.777 50 0 FFAAHN Cc1cnc(NC[C@H](c2cccnc2)N2CCCC2)nc1-c1ccnn1C ZINC000020785025 526092559 /nfs/dbraw/zinc/09/25/59/526092559.db2.gz XTULGIWGMLOYEG-GOSISDBHSA-N 0 3 363.469 2.830 50 0 FFAAHN C[C@H](C1CCN(Cc2nc(-c3ccccc3)no2)CC1)N1CCOCC1 ZINC000020454223 526217521 /nfs/dbraw/zinc/21/75/21/526217521.db2.gz JESGIRNSRWKZPE-MRXNPFEDSA-N 0 3 356.470 2.669 50 0 FFAAHN O=C(CC1CCN(Cc2ccccc2)CC1)N1CCC2(COC(=O)O2)CC1 ZINC000299785369 526366635 /nfs/dbraw/zinc/36/66/35/526366635.db2.gz YIIKMKCVYBHYCN-UHFFFAOYSA-N 0 3 372.465 2.817 50 0 FFAAHN O=C(CCc1cc2n(n1)CCCN(CCCc1ccccc1)C2)NC1CC1 ZINC000091636680 526582332 /nfs/dbraw/zinc/58/23/32/526582332.db2.gz PWOYYJVFYZBUDA-UHFFFAOYSA-N 0 3 366.509 2.933 50 0 FFAAHN O=C(c1cnccn1)N1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 ZINC000091586070 526884840 /nfs/dbraw/zinc/88/48/40/526884840.db2.gz CAIYCCJPSQGKLX-RBUKOAKNSA-N 0 3 350.466 2.646 50 0 FFAAHN OCC[C@@H]1CN(Cc2cnn(-c3ccc(F)cc3)c2)CCN1C1CCCC1 ZINC000019789845 527566876 /nfs/dbraw/zinc/56/68/76/527566876.db2.gz ORIHCXAVTNZGLD-OAQYLSRUSA-N 0 3 372.488 2.823 50 0 FFAAHN Cc1nn(CC(=O)NCCN2CCC[C@H](c3ccccc3)C2)c(C)c1C ZINC000215599769 568079234 /nfs/dbraw/zinc/07/92/34/568079234.db2.gz NHYIXAAIKKUWHK-FQEVSTJZSA-N 0 3 354.498 2.804 50 0 FFAAHN COCCCN1CCCN([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000081086912 570765798 /nfs/dbraw/zinc/76/57/98/570765798.db2.gz HOZORXRSASYJTR-CQSZACIVSA-N 0 3 350.488 2.903 50 0 FFAAHN CCN1CCN(Cc2ccccc2CNC(=O)OCC(F)(F)F)CC1 ZINC000047671760 570929444 /nfs/dbraw/zinc/92/94/44/570929444.db2.gz WIQIMVHVIPZRAQ-UHFFFAOYSA-N 0 3 359.392 2.613 50 0 FFAAHN O=C(Nc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1)c1cccs1 ZINC000048275110 570941776 /nfs/dbraw/zinc/94/17/76/570941776.db2.gz CKMQYCDADPEXKN-OAHLLOKOSA-N 0 3 355.463 2.967 50 0 FFAAHN CCN(C(=O)CN[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C)C1CC1 ZINC000084761100 571099343 /nfs/dbraw/zinc/09/93/43/571099343.db2.gz YBCDKMMXDFEMFI-LJQANCHMSA-N 0 3 355.523 2.916 50 0 FFAAHN COc1c2ccccc2[nH]c1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000412545886 967152764 /nfs/dbraw/zinc/15/27/64/967152764.db2.gz YMLSNHSWSGFDPW-KXBFYZLASA-N 0 3 364.449 2.994 50 0 FFAAHN COc1cc(OC)cc(-c2nn3c(nnc3C3CCN(C)CC3)s2)c1 ZINC000824571972 999237071 /nfs/dbraw/zinc/23/70/71/999237071.db2.gz CNVDIZXMHVLGBY-UHFFFAOYSA-N 0 3 359.455 2.679 50 0 FFAAHN COc1ccc2c(c1)C=C(CN1CCCC[C@H]1CN1CCOCC1)CO2 ZINC000824750918 999259589 /nfs/dbraw/zinc/25/95/89/999259589.db2.gz GSIGAVCNUOZTHQ-IBGZPJMESA-N 0 3 358.482 2.658 50 0 FFAAHN Cc1cc(NC(=O)c2cccc(CN(C)C)c2)ccc1NC(=O)CN(C)C ZINC000952990319 1011050599 /nfs/dbraw/zinc/05/05/99/1011050599.db2.gz MDRCBNNPKCIQAK-UHFFFAOYSA-N 0 3 368.481 2.809 50 0 FFAAHN Cc1ccccc1-c1ccc(CN2CC[C@@H](N3CCOCC3)[C@H](O)C2)cc1 ZINC000019595558 1022532841 /nfs/dbraw/zinc/53/28/41/1022532841.db2.gz YZCNVUAYRKHHNC-DHIUTWEWSA-N 0 3 366.505 2.929 50 0 FFAAHN CN(CC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)C1CCCC1 ZINC001529134332 1062182501 /nfs/dbraw/zinc/18/25/01/1062182501.db2.gz WRSIOMWQEPCALK-DYESRHJHSA-N 0 3 367.493 2.783 50 0 FFAAHN CC(C)N1C[C@]2(C)CN(C(=O)c3c[nH]c4ccccc34)C[C@](C)(C1)[C@@H]2O ZINC000252448756 210213990 /nfs/dbraw/zinc/21/39/90/210213990.db2.gz HTTGYFDOLYVTKZ-MZADTFQBSA-N 0 3 355.482 2.721 50 0 biogenic FFAAHN O=C(NC[C@H]1CNCCO1)Nc1ccccc1OCCCc1ccccc1 ZINC000299797887 210036864 /nfs/dbraw/zinc/03/68/64/210036864.db2.gz CVNBOMMYEYYGMQ-GOSISDBHSA-N 0 3 369.465 2.808 50 0 FFAAHN CC(C)Cc1cc(C(=O)N[C@H](CC[NH+](C)C)c2ccccc2)[n-]c(=O)n1 ZINC000299790548 210031916 /nfs/dbraw/zinc/03/19/16/210031916.db2.gz BKZSEZAQMXBCOS-QGZVFWFLSA-N 0 3 356.470 2.804 50 0 FFAAHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cccc(-c2ncccn2)c1 ZINC000299789784 210031054 /nfs/dbraw/zinc/03/10/54/210031054.db2.gz AKWDPLOYLAYXOW-IBGZPJMESA-N 0 3 366.465 2.517 50 0 FFAAHN O=C(NCCN1CCC[C@@H](CO)C1)Nc1ccc(-c2cscn2)cc1 ZINC000299785067 210027302 /nfs/dbraw/zinc/02/73/02/210027302.db2.gz IYQOLKZBITYLIH-CQSZACIVSA-N 0 3 360.483 2.636 50 0 FFAAHN CCc1c(C)nn(CC(=O)NCCN2CC[C@H](c3ccccc3C)C2)c1C ZINC000299778675 210023487 /nfs/dbraw/zinc/02/34/87/210023487.db2.gz NDBGQWZMXVXOQY-IBGZPJMESA-N 0 3 368.525 2.976 50 0 FFAAHN Cc1ccc(C2(O)CCN(C[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)nc1 ZINC000299775427 210020647 /nfs/dbraw/zinc/02/06/47/210020647.db2.gz DBIIXYJSFUIUHN-SFHVURJKSA-N 0 3 365.477 2.727 50 0 FFAAHN O=C(NCCN1CCC[C@H](CO)C1)c1ccc(COc2ccccc2)cc1 ZINC000299772208 210018574 /nfs/dbraw/zinc/01/85/74/210018574.db2.gz SGHHDUUSFUWSEU-IBGZPJMESA-N 0 3 368.477 2.700 50 0 FFAAHN COc1cccc(C)c1NC(=O)NCC1(N2CCN(C)CC2)CCCC1 ZINC000299765966 210015502 /nfs/dbraw/zinc/01/55/02/210015502.db2.gz YQAXGCBLHQWRJT-UHFFFAOYSA-N 0 3 360.502 2.685 50 0 FFAAHN CCOc1ccc(CN2CCC3(CC2)N=C(c2ccccc2)NC3=O)cc1 ZINC000063847525 212033243 /nfs/dbraw/zinc/03/32/43/212033243.db2.gz WZYRSXWVKFTZTN-UHFFFAOYSA-N 0 3 363.461 2.997 50 0 FFAAHN Cc1ccn(CCC(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)n1 ZINC000012713906 220020686 /nfs/dbraw/zinc/02/06/86/220020686.db2.gz DQWNDFOQXZONHX-FQEVSTJZSA-N 0 3 354.498 2.795 50 0 FFAAHN COCCOc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000058441737 212010473 /nfs/dbraw/zinc/01/04/73/212010473.db2.gz DJDSWFMLMRNXFK-GOSISDBHSA-N 0 3 370.453 2.503 50 0 FFAAHN CCOC(=O)N1CCN([C@@H]2CCCN(C/C=C/c3ccccc3)C2)CC1 ZINC000023372817 211386116 /nfs/dbraw/zinc/38/61/16/211386116.db2.gz VREVTKKPVCJFRY-CLOLKSBNSA-N 0 3 357.498 2.938 50 0 FFAAHN NS(=O)(=O)c1ccc(CCNCc2ccc(Cl)cc2Cl)cc1 ZINC000019871806 211259354 /nfs/dbraw/zinc/25/93/54/211259354.db2.gz KSEPJBLBLDVWJW-UHFFFAOYSA-N 0 3 359.278 2.973 50 0 FFAAHN CC(C)(C)CN1CCN(Cc2cnn(-c3ccccc3)c2)C[C@@H]1CCO ZINC000019743743 211254298 /nfs/dbraw/zinc/25/42/98/211254298.db2.gz PMPNSZNOPWXXMC-FQEVSTJZSA-N 0 3 356.514 2.787 50 0 FFAAHN Cc1ccccc1CN1CCN(Cc2cccc3nonc32)C[C@@H]1CCO ZINC000019229561 211208375 /nfs/dbraw/zinc/20/83/75/211208375.db2.gz FJPFFSQFZAYHAI-IBGZPJMESA-N 0 3 366.465 2.600 50 0 FFAAHN Cc1nn(C)c(Cl)c1CN1CCN(C2CCCCC2)[C@@H](CCO)C1 ZINC000019226379 211207306 /nfs/dbraw/zinc/20/73/06/211207306.db2.gz WWXBMDXAXIVZHY-INIZCTEOSA-N 0 3 354.926 2.583 50 0 FFAAHN CC(C)NC(=O)c1cn(CC[C@H]2CCCCN2C/C=C/c2ccco2)nn1 ZINC000015000241 211113267 /nfs/dbraw/zinc/11/32/67/211113267.db2.gz QFLFPNSZMQXSQY-ZGRWHYIRSA-N 0 3 371.485 2.967 50 0 FFAAHN CCC(CC)CN1CCc2nnc(CNC(=O)c3cc(C)oc3C)n2CC1 ZINC000014987998 211111373 /nfs/dbraw/zinc/11/13/73/211111373.db2.gz PBSVECRHNHBJNJ-UHFFFAOYSA-N 0 3 373.501 2.712 50 0 FFAAHN O=C(NC[C@H]1CCCO1)c1oc2ccccc2c1CNC[C@H]1CCCO1 ZINC000008344194 210784393 /nfs/dbraw/zinc/78/43/93/210784393.db2.gz DGGSICPJGRDJAF-HUUCEWRRSA-N 0 3 358.438 2.610 50 0 FFAAHN COc1ccccc1CN1C(=O)O[C@@H]2CN(C3Cc4ccccc4C3)C[C@@H]21 ZINC000019835843 220302228 /nfs/dbraw/zinc/30/22/28/220302228.db2.gz HAIBBXZXLGMDKV-PZJWPPBQSA-N 0 3 364.445 2.868 50 0 FFAAHN CC(C)(CNC(=O)COc1cccc(NC(=O)C2CC2)c1)N1CCCCC1 ZINC000048354802 221009969 /nfs/dbraw/zinc/00/99/69/221009969.db2.gz YIYFNZZUEYJKTP-UHFFFAOYSA-N 0 3 373.497 2.795 50 0 FFAAHN CN1CCC(n2ncc3c2NC(=O)C[C@@H]3COCc2ccccc2)CC1 ZINC000065369797 221202985 /nfs/dbraw/zinc/20/29/85/221202985.db2.gz QYZSZQIEOHBMIA-MRXNPFEDSA-N 0 3 354.454 2.792 50 0 FFAAHN O=C1N(CCc2ccccc2)CCC[C@]1(O)CNCc1cccc(F)c1 ZINC000067605136 221262251 /nfs/dbraw/zinc/26/22/51/221262251.db2.gz RMQHILQNADZTTE-NRFANRHFSA-N 0 3 356.441 2.512 50 0 FFAAHN CNc1ncccc1CN1CCc2[nH]cnc2[C@H]1c1nc2ccccc2[nH]1 ZINC000067676268 221269027 /nfs/dbraw/zinc/26/90/27/221269027.db2.gz AEOYUAYLPXVSJB-SFHVURJKSA-N 0 3 359.437 2.870 50 0 FFAAHN O=C1CCCN1CC[C@H]1CCCCN1Cc1cc2ccccc2[nH]c1=O ZINC000067868563 221297224 /nfs/dbraw/zinc/29/72/24/221297224.db2.gz IRRTVOKSTZCQFU-GOSISDBHSA-N 0 3 353.466 2.895 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3ccc(OC)cc3)cnn2c1 ZINC000067821607 221291054 /nfs/dbraw/zinc/29/10/54/221291054.db2.gz SXSCRXIOBMHJDS-UHFFFAOYSA-N 0 3 353.426 2.832 50 0 FFAAHN COc1ccc(-c2n[nH]cc2CN2CCN(c3ccncc3)CC2)c(F)c1 ZINC000067982713 221312068 /nfs/dbraw/zinc/31/20/68/221312068.db2.gz GWOLNRDJNJMFMJ-UHFFFAOYSA-N 0 3 367.428 2.942 50 0 FFAAHN CCN(CC)C(=O)C1CCN(Cc2cc3ccc(C)cc3[nH]c2=O)CC1 ZINC000067974155 221310708 /nfs/dbraw/zinc/31/07/08/221310708.db2.gz QLNZGSGUXBVNRF-UHFFFAOYSA-N 0 3 355.482 2.917 50 0 FFAAHN CC(C)[C@H]1CN(C(=O)c2ccc[nH]c2=O)CCCN1Cc1ccc(F)cc1 ZINC000071498549 221350840 /nfs/dbraw/zinc/35/08/40/221350840.db2.gz NJCSPSFZIRFZAJ-LJQANCHMSA-N 0 3 371.456 2.887 50 0 FFAAHN CC(C)[C@H]1CN(C(=O)Cn2cccn2)CCCN1Cc1ccc(F)cc1 ZINC000071762545 221370155 /nfs/dbraw/zinc/37/01/55/221370155.db2.gz BCFWGDUHQNIXAI-LJQANCHMSA-N 0 3 358.461 2.781 50 0 FFAAHN O=C(c1ccc(CN2CCCC2)cc1)N1CCN(c2ccccc2)C(=O)C1 ZINC000082106987 132194922 /nfs/dbraw/zinc/19/49/22/132194922.db2.gz LBFQSEUOBKUUKQ-UHFFFAOYSA-N 0 3 363.461 2.771 50 0 FFAAHN Cc1ncnc(N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)c1C ZINC000091663727 132202934 /nfs/dbraw/zinc/20/29/34/132202934.db2.gz MUGSFKOXYNDTAN-UHFFFAOYSA-N 0 3 354.502 2.826 50 0 FFAAHN Cc1cc2c(ncnc2N2CCC(NCc3cnc(C)cn3)CC2)s1 ZINC000095505464 132212582 /nfs/dbraw/zinc/21/25/82/132212582.db2.gz IIMDJRQLAUTNPK-UHFFFAOYSA-N 0 3 354.483 2.857 50 0 FFAAHN Cc1ccc2nc(N3CCC[C@@H](O)C3)c(CN3CCCN(C)CC3)cc2c1 ZINC000072425376 136146437 /nfs/dbraw/zinc/14/64/37/136146437.db2.gz UEDFCMQZJMAZFW-HXUWFJFHSA-N 0 3 368.525 2.642 50 0 FFAAHN O=C(CCc1ccc(Cl)cc1Cl)N1C[C@H](O)[C@@H](N2CCCC2)C1 ZINC000089768394 221742617 /nfs/dbraw/zinc/74/26/17/221742617.db2.gz VJMCQIDUVOAYOA-HOTGVXAUSA-N 0 3 357.281 2.594 50 0 FFAAHN CC[C@H](c1nc(C)nn1C1CCN(C)CC1)N1Cc2ccccc2C1=O ZINC000096153253 222054903 /nfs/dbraw/zinc/05/49/03/222054903.db2.gz WBZZLWDZBVZPRF-GOSISDBHSA-N 0 3 353.470 2.960 50 0 FFAAHN CCO[C@H]1C[C@H](NCCNS(=O)(=O)c2ccccc2)C1(CC)CC ZINC000097034470 222154525 /nfs/dbraw/zinc/15/45/25/222154525.db2.gz BENPRZBSBYSQMT-IRXDYDNUSA-N 0 3 354.516 2.538 50 0 FFAAHN CN1Cc2ccccc2C[C@@H]1C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000097323934 222174465 /nfs/dbraw/zinc/17/44/65/222174465.db2.gz FSOPISBXSCQCJR-HXUWFJFHSA-N 0 3 369.534 2.885 50 0 FFAAHN Cc1cc2nc(C(=O)NC[C@H](c3ccccc3C)N(C)C)cc(C)n2n1 ZINC000097463669 222182253 /nfs/dbraw/zinc/18/22/53/222182253.db2.gz QJLGGEJBDWLFKU-GOSISDBHSA-N 0 3 351.454 2.687 50 0 FFAAHN COc1ccc2cc(C(=O)N3CCC(N4CCSCC4)CC3)n(C)c2c1 ZINC000097568906 222192817 /nfs/dbraw/zinc/19/28/17/222192817.db2.gz PNNRAXQCDKFZOZ-UHFFFAOYSA-N 0 3 373.522 2.840 50 0 FFAAHN c1ccc(COc2ccc(CN3CCN(C4CCOCC4)CC3)cc2)nc1 ZINC000097655474 222202856 /nfs/dbraw/zinc/20/28/56/222202856.db2.gz BDHWWZBSCGIELO-UHFFFAOYSA-N 0 3 367.493 2.957 50 0 FFAAHN Cc1cccc(CN2CCN(CCCc3ccccc3)C[C@H]2CCO)n1 ZINC000104302698 222355269 /nfs/dbraw/zinc/35/52/69/222355269.db2.gz ICBPZTDGQCWJBF-JOCHJYFZSA-N 0 3 353.510 2.891 50 0 FFAAHN CCOc1ccccc1CN1CCN(C2CCSCC2)C[C@H]1CCO ZINC000104365027 222355715 /nfs/dbraw/zinc/35/57/15/222355715.db2.gz OGXSSDGXZVYKAC-LJQANCHMSA-N 0 3 364.555 2.850 50 0 FFAAHN CCc1nc(C)c(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)[nH]1 ZINC000105904157 222379143 /nfs/dbraw/zinc/37/91/43/222379143.db2.gz PVSLCWYTRDANLN-FQEVSTJZSA-N 0 3 370.541 2.782 50 0 FFAAHN O=C(NCCCN1CCc2ccccc2C1)c1ccc2c(c1)OCCO2 ZINC000032398997 506248156 /nfs/dbraw/zinc/24/81/56/506248156.db2.gz SQSIOFNPQXLEAO-UHFFFAOYSA-N 0 3 352.434 2.636 50 0 FFAAHN Cc1ccccc1C(=O)N1CCN(c2cc(N3CCCC3)nc(C)n2)CC1 ZINC000033318259 506355468 /nfs/dbraw/zinc/35/54/68/506355468.db2.gz WPMMTMSHFFVWEC-UHFFFAOYSA-N 0 3 365.481 2.656 50 0 FFAAHN Cc1cccc(-c2ncc(CN3CCN(CC(C)C)[C@H](CCO)C3)cn2)c1 ZINC000036385681 506403316 /nfs/dbraw/zinc/40/33/16/506403316.db2.gz UEYDYVPXPXTTNR-OAQYLSRUSA-N 0 3 368.525 2.977 50 0 FFAAHN CCCCCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CC)cc1 ZINC000005060782 506418920 /nfs/dbraw/zinc/41/89/20/506418920.db2.gz CFPPNQFXZOSOJE-KRWDZBQOSA-N 0 3 361.486 2.795 50 0 FFAAHN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN(C)C2CCCC2)cc1 ZINC000053814304 506450109 /nfs/dbraw/zinc/45/01/09/506450109.db2.gz MHTMPHVESYKJIH-UHFFFAOYSA-N 0 3 367.515 2.528 50 0 FFAAHN CCCCc1nc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)c[nH]1 ZINC000039430284 506450613 /nfs/dbraw/zinc/45/06/13/506450613.db2.gz KYVUELLBDCAXGB-OAQYLSRUSA-N 0 3 370.541 2.864 50 0 FFAAHN CCCCc1ncc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)[nH]1 ZINC000039430284 506450614 /nfs/dbraw/zinc/45/06/14/506450614.db2.gz KYVUELLBDCAXGB-OAQYLSRUSA-N 0 3 370.541 2.864 50 0 FFAAHN C[C@H](N[C@@H](Cc1ccccc1)c1ccccc1)C(=O)NC(=O)NC1CC1 ZINC000040017904 506458358 /nfs/dbraw/zinc/45/83/58/506458358.db2.gz FNXMLIZQKCYOFS-KXBFYZLASA-N 0 3 351.450 2.937 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(I)cc1 ZINC000042200299 506609324 /nfs/dbraw/zinc/60/93/24/506609324.db2.gz LQVJJPZEJBTFAF-CYBMUJFWSA-N 0 3 358.223 2.505 50 0 FFAAHN NC(=O)CCn1cc(CNCc2ccc3c(c2)OCO3)c2ccccc21 ZINC000055099006 506676212 /nfs/dbraw/zinc/67/62/12/506676212.db2.gz IUDMCUMLYBFLDW-UHFFFAOYSA-N 0 3 351.406 2.535 50 0 FFAAHN Fc1ccc(-c2n[nH]cc2CNCCc2nc(-c3cccnc3)no2)cc1 ZINC000055225755 506702713 /nfs/dbraw/zinc/70/27/13/506702713.db2.gz PXAXVGNDVUOGFU-UHFFFAOYSA-N 0 3 364.384 2.993 50 0 FFAAHN COC(=O)c1ccc(CN[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)cc1 ZINC000011814997 506794847 /nfs/dbraw/zinc/79/48/47/506794847.db2.gz DSZFKYMXOPGYCI-SFHVURJKSA-N 0 3 356.397 2.503 50 0 FFAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)C1CCOCC1 ZINC000011839174 506797736 /nfs/dbraw/zinc/79/77/36/506797736.db2.gz WGHIBLBVXHCVLS-UHFFFAOYSA-N 0 3 362.489 2.965 50 0 FFAAHN CC(=O)Nc1ccc(CN2CCC[C@H](CNC(=O)c3cccnc3)C2)cc1 ZINC000011873144 506801802 /nfs/dbraw/zinc/80/18/02/506801802.db2.gz IFXCJAIWRBZZIX-GOSISDBHSA-N 0 3 366.465 2.682 50 0 FFAAHN CN(C(=O)/C=C/c1cnn(C)c1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000012003227 506807441 /nfs/dbraw/zinc/80/74/41/506807441.db2.gz QIDUIXAEXFXYNC-IWGBCORSSA-N 0 3 366.509 2.989 50 0 FFAAHN CCC(CC)CN1CCc2nnc([C@H](C)NC(=O)c3ccco3)n2CC1 ZINC000012003011 506807544 /nfs/dbraw/zinc/80/75/44/506807544.db2.gz HWNHBIAHRNCFDU-AWEZNQCLSA-N 0 3 359.474 2.656 50 0 FFAAHN CSc1ccccc1OCc1cc(C(=O)N2CCN3CCC[C@@H]3C2)no1 ZINC000012595187 506881736 /nfs/dbraw/zinc/88/17/36/506881736.db2.gz HILQUIRKKKDOLY-CQSZACIVSA-N 0 3 373.478 2.896 50 0 FFAAHN Cc1cc2cc(CNC[C@@]3(O)CCCN(CC(C)(C)C)C3=O)ccc2[nH]1 ZINC000012595381 506882491 /nfs/dbraw/zinc/88/24/91/506882491.db2.gz UTZPLDUGIIWVCO-NRFANRHFSA-N 0 3 357.498 2.966 50 0 FFAAHN C[C@@H](Oc1ccc(Br)cc1F)C(=O)N(C)C1CCN(C)CC1 ZINC000056057504 506919636 /nfs/dbraw/zinc/91/96/36/506919636.db2.gz LNIYXZHDYNYLJM-LLVKDONJSA-N 0 3 373.266 2.908 50 0 FFAAHN CC[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)NC1CCN(C(C)=O)CC1 ZINC000058200857 507384392 /nfs/dbraw/zinc/38/43/92/507384392.db2.gz CVVWFBYFZLCJHJ-RTWAWAEBSA-N 0 3 371.525 2.772 50 0 FFAAHN CNC(=O)c1ccc(CN(CCC(=O)NC2CCCCC2)C2CC2)cc1 ZINC000058232327 507391978 /nfs/dbraw/zinc/39/19/78/507391978.db2.gz UJUCMJZCUNRGKX-UHFFFAOYSA-N 0 3 357.498 2.850 50 0 FFAAHN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(OC)c(F)c1 ZINC000024762839 507436720 /nfs/dbraw/zinc/43/67/20/507436720.db2.gz TXCBTIGFGLRNNF-UHFFFAOYSA-N 0 3 373.428 2.784 50 0 FFAAHN CCc1nc(CN2C[C@@H](c3cccc(OC)c3)[C@@H]3[C@H]2C2CCN3CC2)no1 ZINC000072133758 507754637 /nfs/dbraw/zinc/75/46/37/507754637.db2.gz UQDRUOJFZJDFCG-IOMROCGXSA-N 0 3 368.481 2.703 50 0 FFAAHN N[C@@H]1c2ccccc2C2(CCN(c3noc(-c4ccccc4)n3)CC2)[C@H]1O ZINC000072172772 507769804 /nfs/dbraw/zinc/76/98/04/507769804.db2.gz GYGVWSYCDQCRLZ-MSOLQXFVSA-N 0 3 362.433 2.649 50 0 FFAAHN CN1CCc2[nH]nc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)c2C1 ZINC000072409922 507785852 /nfs/dbraw/zinc/78/58/52/507785852.db2.gz NUIAEOBGEWUACR-HNNXBMFYSA-N 0 3 367.478 2.985 50 0 FFAAHN Cc1cccc(CN2CCC[C@@H](c3nnc(CN4CCCCC4)n3C)C2)n1 ZINC000072423687 507787843 /nfs/dbraw/zinc/78/78/43/507787843.db2.gz SROLZNYFPPZWOG-GOSISDBHSA-N 0 3 368.529 2.884 50 0 FFAAHN CCOc1ccc(CC(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)cc1 ZINC000072426320 507788527 /nfs/dbraw/zinc/78/85/27/507788527.db2.gz BHSURDMIXCQCHO-QGZVFWFLSA-N 0 3 360.498 2.587 50 0 FFAAHN Cc1cc2nc(-c3ccccc3)cc(NC[C@@H](C)N3CCN(C)CC3)n2n1 ZINC000072426519 507788631 /nfs/dbraw/zinc/78/86/31/507788631.db2.gz RWTRURBUKRCFIL-QGZVFWFLSA-N 0 3 364.497 2.753 50 0 FFAAHN COc1ccc2c(c1)CCC[C@@H]2NC(=O)CCc1cc2n(n1)CCCNC2 ZINC000072454414 507793392 /nfs/dbraw/zinc/79/33/92/507793392.db2.gz ZIADKEKRFGRSDC-FQEVSTJZSA-N 0 3 368.481 2.511 50 0 FFAAHN C[C@@H](C1CCN(C(=O)CCCOc2ccccc2)CC1)N1CCOCC1 ZINC000072468896 507794796 /nfs/dbraw/zinc/79/47/96/507794796.db2.gz MCCHONGXZPZTJM-SFHVURJKSA-N 0 3 360.498 2.805 50 0 FFAAHN O=C1CC[C@H]2CN(Cc3ccncc3)CC[C@H]2N1CCc1ccccn1 ZINC000072476703 507796237 /nfs/dbraw/zinc/79/62/37/507796237.db2.gz VUNAZJDJXDLGTJ-AZUAARDMSA-N 0 3 350.466 2.532 50 0 FFAAHN O=C(NCC1CCN(Cc2cccs2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000089894625 507880451 /nfs/dbraw/zinc/88/04/51/507880451.db2.gz OQOUERSGABEROH-GOSISDBHSA-N 0 3 363.527 2.781 50 0 FFAAHN Cc1ccc2[nH]c(CN3CCC([C@H](C)N4CCOCC4)CC3)cc(=O)c2c1 ZINC000091444624 507986304 /nfs/dbraw/zinc/98/63/04/507986304.db2.gz YYTPIWCOJKAEQZ-KRWDZBQOSA-N 0 3 369.509 2.769 50 0 FFAAHN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)NCC1(CN2CCN(C)CC2)CC1 ZINC000091519013 507990432 /nfs/dbraw/zinc/99/04/32/507990432.db2.gz REZXVBJBLXJUAC-UHFFFAOYSA-N 0 3 368.525 2.851 50 0 FFAAHN Cc1ccc2[nH]c([C@H](C)NC(=O)c3cnc(-c4ccccn4)nc3O)nc2c1 ZINC000091624592 507997291 /nfs/dbraw/zinc/99/72/91/507997291.db2.gz UNVQZUVSXTZGEU-LBPRGKRZSA-N 0 3 374.404 2.920 50 0 FFAAHN Cc1ccc2nc([C@H](C)NC(=O)c3cnc(-c4ccccn4)nc3O)[nH]c2c1 ZINC000091624592 507997292 /nfs/dbraw/zinc/99/72/92/507997292.db2.gz UNVQZUVSXTZGEU-LBPRGKRZSA-N 0 3 374.404 2.920 50 0 FFAAHN COc1ccc(/C=C/CN2CC[C@@](O)(CN3CCOCC3)C(C)(C)C2)cc1 ZINC000091676819 508001712 /nfs/dbraw/zinc/00/17/12/508001712.db2.gz GCVROJHHDYZZPO-TWKPZUECSA-N 0 3 374.525 2.504 50 0 FFAAHN CN1CCN(Cc2cc(C3CCCCC3)no2)C[C@]12CCC(=O)N(C)CC2 ZINC000091707516 508004524 /nfs/dbraw/zinc/00/45/24/508004524.db2.gz XWIQDHAHVOEBOD-OAQYLSRUSA-N 0 3 374.529 2.851 50 0 FFAAHN Cc1cc(C)c(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)c(=O)[nH]1 ZINC000091736880 508006043 /nfs/dbraw/zinc/00/60/43/508006043.db2.gz YPIBODBBBXWNHT-KRWDZBQOSA-N 0 3 353.466 2.519 50 0 FFAAHN Cc1c(CN2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)cnn1C ZINC000091745774 508006912 /nfs/dbraw/zinc/00/69/12/508006912.db2.gz KQEXSIRYRGVBEM-UHFFFAOYSA-N 0 3 367.497 2.528 50 0 FFAAHN CCn1c(Cn2ccnc2)nnc1C1CCN(Cc2cccc(O)c2)CC1 ZINC000091872287 508021299 /nfs/dbraw/zinc/02/12/99/508021299.db2.gz WVYRDRONOPYKFQ-UHFFFAOYSA-N 0 3 366.469 2.628 50 0 FFAAHN Cc1c(F)cccc1CN1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 ZINC000091915140 508024242 /nfs/dbraw/zinc/02/42/42/508024242.db2.gz GXIHKMXVAQZUQZ-QGZVFWFLSA-N 0 3 368.460 2.887 50 0 FFAAHN O=C(NC1CCN(Cc2cccs2)CC1)c1cccc(-n2cnnc2)c1 ZINC000092037230 508035762 /nfs/dbraw/zinc/03/57/62/508035762.db2.gz GSUOHNZZWZWFJC-UHFFFAOYSA-N 0 3 367.478 2.723 50 0 FFAAHN COc1cc(N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)ncn1 ZINC000095356196 508174789 /nfs/dbraw/zinc/17/47/89/508174789.db2.gz QQRWBBKEVPJNGD-PWIZWCRZSA-N 0 3 354.429 2.691 50 0 FFAAHN Cc1nc(CNC(=O)[C@H]2CCCN(Cc3ccco3)C2)nc2c1CCCC2 ZINC000095354357 508174896 /nfs/dbraw/zinc/17/48/96/508174896.db2.gz AMWSHIADYPHEES-INIZCTEOSA-N 0 3 368.481 2.785 50 0 FFAAHN Cc1cccc(CC(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)c1 ZINC000095364038 508177006 /nfs/dbraw/zinc/17/70/06/508177006.db2.gz GWLYEMOFMRGINY-LJQANCHMSA-N 0 3 354.498 2.702 50 0 FFAAHN CCn1ccc2cc(CN3CCN(C)[C@@]4(C3)CCC(=O)N(C)CC4)ccc21 ZINC000095378058 508180686 /nfs/dbraw/zinc/18/06/86/508180686.db2.gz GQDQZHOHLHDVLS-QFIPXVFZSA-N 0 3 368.525 2.790 50 0 FFAAHN O=C(Cc1ccc(CO)cc1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000095383554 508182311 /nfs/dbraw/zinc/18/23/11/508182311.db2.gz FMPMKRVYAOAMOU-FCHUYYIVSA-N 0 3 364.489 2.844 50 0 FFAAHN Cc1cccc(OCC(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)c1 ZINC000095507203 508191969 /nfs/dbraw/zinc/19/19/69/508191969.db2.gz FFXYSRGZPOLXEB-SFHVURJKSA-N 0 3 370.497 2.538 50 0 FFAAHN COc1cccc(F)c1C(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 ZINC000095511541 508192888 /nfs/dbraw/zinc/19/28/88/508192888.db2.gz TYUXTCMKNKQJBX-HNNXBMFYSA-N 0 3 374.460 2.612 50 0 FFAAHN C[C@H](C1CCN(C(=O)c2cc(F)ccc2Cl)CC1)N1CCN(C)CC1 ZINC000082097585 508225563 /nfs/dbraw/zinc/22/55/63/508225563.db2.gz VRSYPXVIVYPTHD-CQSZACIVSA-N 0 3 367.896 2.967 50 0 FFAAHN C[C@@H]1CCCN(C(=O)CCN2CCC3(CC2)Nc2ccccc2NC3=O)C1 ZINC000082157588 508227556 /nfs/dbraw/zinc/22/75/56/508227556.db2.gz DRPHUMUMQMEHLO-MRXNPFEDSA-N 0 3 370.497 2.534 50 0 FFAAHN CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC000077288206 508296072 /nfs/dbraw/zinc/29/60/72/508296072.db2.gz GNWPWOXLWQKYEE-IBGZPJMESA-N 0 3 350.422 2.730 50 0 FFAAHN CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC000077288206 508296073 /nfs/dbraw/zinc/29/60/73/508296073.db2.gz GNWPWOXLWQKYEE-IBGZPJMESA-N 0 3 350.422 2.730 50 0 FFAAHN CCC(CC)CN1CC2(CCN(C(=O)[C@@H]3CCCN3CC)CC2)OC1=O ZINC000077358741 508305140 /nfs/dbraw/zinc/30/51/40/508305140.db2.gz GAOYSWJVSBAKTB-KRWDZBQOSA-N 0 3 365.518 2.720 50 0 FFAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)CCCN2CCOCC2)cc1 ZINC000077392492 508310206 /nfs/dbraw/zinc/31/02/06/508310206.db2.gz WSPXPNBKICUTOC-OAQYLSRUSA-N 0 3 373.541 2.914 50 0 FFAAHN COC(=O)c1cccc(CN2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c1 ZINC000077520673 508327386 /nfs/dbraw/zinc/32/73/86/508327386.db2.gz BMWBHHQKAKZESR-OAQYLSRUSA-N 0 3 356.466 2.840 50 0 FFAAHN CCn1c2ccccc2nc1SCCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000077566295 508335319 /nfs/dbraw/zinc/33/53/19/508335319.db2.gz JZMAAGLPJLLHPU-WMLDXEAASA-N 0 3 358.511 2.701 50 0 FFAAHN Cc1ncsc1CCN(C)Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000214984739 509241339 /nfs/dbraw/zinc/24/13/39/509241339.db2.gz ZVNKHMHXCSPFDO-UHFFFAOYSA-N 0 3 356.495 2.924 50 0 FFAAHN O[C@@H]1C[C@H]2CN(Cc3ccccc3OCCc3ccccc3)C[C@H]2C[C@@H]1O ZINC000215305260 509246871 /nfs/dbraw/zinc/24/68/71/509246871.db2.gz WVSHADBNOGDWPB-ZDNVTZCJSA-N 0 3 367.489 2.872 50 0 FFAAHN O=C(Cc1cccc(C(F)(F)F)c1)N1CCCO[C@@H](CN2CCCC2)C1 ZINC000215240554 509247133 /nfs/dbraw/zinc/24/71/33/509247133.db2.gz IRXIFXRBEPQUCZ-KRWDZBQOSA-N 0 3 370.415 2.961 50 0 FFAAHN Cc1ccccc1[C@@H](CNC(=O)c1ccc(=O)n(C)c1)N1CCC(C)CC1 ZINC000215512178 509248592 /nfs/dbraw/zinc/24/85/92/509248592.db2.gz SBYDFRONYHNBIZ-HXUWFJFHSA-N 0 3 367.493 2.897 50 0 FFAAHN C[C@]1(CO)CCCN(Cc2ccccc2OCC(=O)N2CCCCC2)C1 ZINC000215485093 509248782 /nfs/dbraw/zinc/24/87/82/509248782.db2.gz PELXDEVYWOZLNW-NRFANRHFSA-N 0 3 360.498 2.672 50 0 FFAAHN O=C(c1ccc2ccccc2n1)N1CCCO[C@@H](CN2CCCCC2)C1 ZINC000216315915 509260198 /nfs/dbraw/zinc/26/01/98/509260198.db2.gz BKAAHMQENIWOEH-SFHVURJKSA-N 0 3 353.466 2.952 50 0 FFAAHN Cc1[nH]c2c(cccc2C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)c1C ZINC000219893206 509294757 /nfs/dbraw/zinc/29/47/57/509294757.db2.gz OPNRIULPLDBDNT-XWPNQZOQSA-N 0 3 353.466 2.766 50 0 FFAAHN COc1cccc(OCC(=O)NCC2(c3ccccc3)CCN(C)CC2)c1 ZINC000220244239 509298213 /nfs/dbraw/zinc/29/82/13/509298213.db2.gz SMVHRMHORWFOES-UHFFFAOYSA-N 0 3 368.477 2.854 50 0 FFAAHN C[C@@H](CNC(=O)C1(c2ccccc2)CCN(C)CC1)Oc1cccnc1 ZINC000222485910 509317949 /nfs/dbraw/zinc/31/79/49/509317949.db2.gz DWFZGGUUXWRBFK-KRWDZBQOSA-N 0 3 353.466 2.629 50 0 FFAAHN COc1cc(Cl)ccc1C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000223489080 509340398 /nfs/dbraw/zinc/34/03/98/509340398.db2.gz NAYRHLKWMDQYIC-OAHLLOKOSA-N 0 3 352.862 2.722 50 0 FFAAHN O=C(N[C@@H](CCn1cncn1)c1ccccc1)C1(N2CCCC2)CCCC1 ZINC000223955209 509351214 /nfs/dbraw/zinc/35/12/14/509351214.db2.gz ORGJOPXWJTVHJI-IBGZPJMESA-N 0 3 367.497 2.934 50 0 FFAAHN CCCNC(=O)[C@H]1CCCN(C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000229737508 509430010 /nfs/dbraw/zinc/43/00/10/509430010.db2.gz ZYFVTLZWKANQIZ-GOEBONIOSA-N 0 3 358.404 2.977 50 0 FFAAHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000236678681 509477969 /nfs/dbraw/zinc/47/79/69/509477969.db2.gz WVOREBSZEWBELE-VIFPVBQESA-N 0 3 355.287 2.798 50 0 FFAAHN C[C@H]1C[C@H](N(C)C(=O)c2csc(CN)n2)CCN1Cc1ccccc1 ZINC000237561896 509677017 /nfs/dbraw/zinc/67/70/17/509677017.db2.gz WDCHMVZECUHZPO-GOEBONIOSA-N 0 3 358.511 2.727 50 0 FFAAHN CC(C)c1ccc([C@H](N)CNS(=O)(=O)Cc2ccc(Cl)nc2)cc1 ZINC000170684763 509719927 /nfs/dbraw/zinc/71/99/27/509719927.db2.gz ZFYPOHKIYDDIRQ-MRXNPFEDSA-N 0 3 367.902 2.978 50 0 FFAAHN CCN1CCC[C@H]1CN(C)C(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000176973096 509793048 /nfs/dbraw/zinc/79/30/48/509793048.db2.gz JVVHPTQFPKQAMB-HNNXBMFYSA-N 0 3 371.437 2.669 50 0 FFAAHN Cc1cc(C)n(C2CN(C[C@@H]3CN(Cc4ccccc4)CCCO3)C2)n1 ZINC000243956737 509855857 /nfs/dbraw/zinc/85/58/57/509855857.db2.gz CCZOXFTWSLMXRY-NRFANRHFSA-N 0 3 354.498 2.648 50 0 FFAAHN O=C(c1ccc2nccnc2c1)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000244633073 509861828 /nfs/dbraw/zinc/86/18/28/509861828.db2.gz FVYSVQRGNJCFIR-UHFFFAOYSA-N 0 3 372.472 2.945 50 0 FFAAHN CCOc1cc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1OC ZINC000265184384 509906905 /nfs/dbraw/zinc/90/69/05/509906905.db2.gz XEULZHMINFMIPK-QGZVFWFLSA-N 0 3 361.486 2.864 50 0 FFAAHN COc1ccc([C@H](CN(C)C)NCc2c(C)nc3sc(C)nn23)cc1 ZINC000285316324 512074935 /nfs/dbraw/zinc/07/49/35/512074935.db2.gz WRPVRTAIQMRYLT-INIZCTEOSA-N 0 3 359.499 2.809 50 0 FFAAHN CN(CCNc1cc([C@H]2CCOC2)ncn1)Cc1ccc(Cl)c(F)c1 ZINC000426359090 513913595 /nfs/dbraw/zinc/91/35/95/513913595.db2.gz PTWKVENYIBWLKV-AWEZNQCLSA-N 0 3 364.852 3.317 50 0 FFAAHN COCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(-c3ccc([O-])cc3F)c2)C1 ZINC000426618622 513997464 /nfs/dbraw/zinc/99/74/64/513997464.db2.gz ZNCBXOOFMWFYCS-HNNXBMFYSA-N 0 3 372.440 2.896 50 0 FFAAHN COCC[N@H+]1CC[C@@H](CNC(=O)c2cccc(-c3ccc([O-])cc3F)c2)C1 ZINC000426618622 513997472 /nfs/dbraw/zinc/99/74/72/513997472.db2.gz ZNCBXOOFMWFYCS-HNNXBMFYSA-N 0 3 372.440 2.896 50 0 FFAAHN O=C(NCCCN1CCC[C@H](O)C1)N(Cc1ccccc1)C1CCCC1 ZINC000426667126 514010077 /nfs/dbraw/zinc/01/00/77/514010077.db2.gz RQHKCPIXSAAZGL-FQEVSTJZSA-N 0 3 359.514 2.988 50 0 FFAAHN CCN1CCCC[C@H]1CNC(=O)N1CCC(OCc2cccnc2)CC1 ZINC000426701365 514019742 /nfs/dbraw/zinc/01/97/42/514019742.db2.gz GGKABIVGOWHYCI-SFHVURJKSA-N 0 3 360.502 2.647 50 0 FFAAHN COCCN1CCC[C@H](CN(C)C(=O)NC2(c3ccccc3C)CC2)C1 ZINC000584897936 518529815 /nfs/dbraw/zinc/52/98/15/518529815.db2.gz RIRWZLWLIZNWNA-GOSISDBHSA-N 0 3 359.514 2.984 50 0 FFAAHN CC(C)CN1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1CCO ZINC000020534857 519726655 /nfs/dbraw/zinc/72/66/55/519726655.db2.gz LBGMSIIXUHNQBW-IBGZPJMESA-N 0 3 360.477 2.740 50 0 FFAAHN CCNc1ncc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)cn1 ZINC000091706544 520365983 /nfs/dbraw/zinc/36/59/83/520365983.db2.gz QGICJWVCGOYMJN-QGZVFWFLSA-N 0 3 353.470 2.518 50 0 FFAAHN COc1cc(C)ccc1CN1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082125832 522255590 /nfs/dbraw/zinc/25/55/90/522255590.db2.gz CEOUVGHTAQEUPY-NRFANRHFSA-N 0 3 360.498 2.591 50 0 FFAAHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000239637142 524339234 /nfs/dbraw/zinc/33/92/34/524339234.db2.gz BJBXIHWOBUZJQH-GUDVDZBRSA-N 0 3 358.530 2.933 50 0 FFAAHN CCOC(=O)C1CCN(C(=O)CN2CCC[C@@H]2c2ccccc2C)CC1 ZINC000048289696 570941234 /nfs/dbraw/zinc/94/12/34/570941234.db2.gz WDVNQSYMNKZGND-LJQANCHMSA-N 0 3 358.482 2.934 50 0 FFAAHN Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N(CCN(C)C)CC(C)C ZINC000084057837 571068138 /nfs/dbraw/zinc/06/81/38/571068138.db2.gz OQIQGLMNILHRNK-UHFFFAOYSA-N 0 3 363.893 2.889 50 0 FFAAHN O=C(CC1CCN(C(=O)c2ccccc2)CC1)NCCN1CCCCC1 ZINC000032974094 571146443 /nfs/dbraw/zinc/14/64/43/571146443.db2.gz IRSSGPRYTKQKTC-UHFFFAOYSA-N 0 3 357.498 2.531 50 0 FFAAHN C[C@@H](Cc1ccccc1)NCCS(=O)(=O)N[C@@H](C)Cc1ccccc1 ZINC000669368693 571173845 /nfs/dbraw/zinc/17/38/45/571173845.db2.gz CVBWMLQFSONOFO-ROUUACIJSA-N 0 3 360.523 2.758 50 0 FFAAHN O=C(NCCN1CC[C@@H](c2ccccc2)C1)c1nc2ccccn2c1F ZINC000670438294 571347804 /nfs/dbraw/zinc/34/78/04/571347804.db2.gz QRBAVYJASQHWBK-MRXNPFEDSA-N 0 3 352.413 2.693 50 0 FFAAHN Cc1c(CN2CCC3(C[C@H]3C(=O)NCc3cccs3)CC2)cnn1C ZINC000011981304 727812997 /nfs/dbraw/zinc/81/29/97/727812997.db2.gz IDJHSZWQTXDHLA-KRWDZBQOSA-N 0 3 358.511 2.709 50 0 FFAAHN CN1CCC(N(Cc2ccncc2)C(=O)CCc2cc(Cl)no2)CC1 ZINC000072477514 728210527 /nfs/dbraw/zinc/21/05/27/728210527.db2.gz YIPULDCBGFATLD-UHFFFAOYSA-N 0 3 362.861 2.779 50 0 FFAAHN Cc1ccccc1-c1ccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 ZINC000020599367 970503685 /nfs/dbraw/zinc/50/36/85/970503685.db2.gz HANAWBJHEQNASV-VXKWHMMOSA-N 0 3 352.478 2.539 50 0 FFAAHN C[C@H]1CN(c2ccc(CNCC3=Cc4ccccc4OC3)cn2)CCO1 ZINC000102422620 1014183387 /nfs/dbraw/zinc/18/33/87/1014183387.db2.gz LEDGRHQAMKHTEY-INIZCTEOSA-N 0 3 351.450 2.872 50 0 FFAAHN CC(=O)N1C[C@H](CO)C2(C1)CCN(Cc1ccccc1C(F)(F)F)CC2 ZINC000169792920 984969826 /nfs/dbraw/zinc/96/98/26/984969826.db2.gz RZGSCLRIQNTORC-MRXNPFEDSA-N 0 3 370.415 2.758 50 0 FFAAHN O=C1CCN(Cc2ccc3c(c2)CCO3)CCN1Cc1cccc(F)c1 ZINC000011881240 988158671 /nfs/dbraw/zinc/15/86/71/988158671.db2.gz VAVNPIGDUFWGMU-UHFFFAOYSA-N 0 3 354.425 2.995 50 0 FFAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4c[nH]nc4C)C3)C2)c1 ZINC000012316333 988550846 /nfs/dbraw/zinc/55/08/46/988550846.db2.gz VNFDGUFVMQYKNI-OAQYLSRUSA-N 0 3 368.481 2.855 50 0 FFAAHN Cc1ccc(CNC[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)cc1 ZINC000012433043 989423244 /nfs/dbraw/zinc/42/32/44/989423244.db2.gz JSDHOVAFQZSNON-OAQYLSRUSA-N 0 3 374.431 2.917 50 0 FFAAHN O=C(NC1CCCCC1)c1nn(CCOc2ccccc2)c2c1CNCC2 ZINC000581814707 999948848 /nfs/dbraw/zinc/94/88/48/999948848.db2.gz HJESTAOTRKBLGF-UHFFFAOYSA-N 0 3 368.481 2.670 50 0 FFAAHN O=C(c1ccncc1)N1CC[C@H]2N(Cc3cccs3)CCC[C@]2(CO)C1 ZINC000072135575 1019820211 /nfs/dbraw/zinc/82/02/11/1019820211.db2.gz JCQKOFIGOPZXGW-UYAOXDASSA-N 0 3 371.506 2.632 50 0 FFAAHN C/C=C/CN1CCCn2nc(CN3CCC[C@H](Cn4ccnc4)C3)cc2C1 ZINC000072463852 1019901897 /nfs/dbraw/zinc/90/18/97/1019901897.db2.gz WHVVAHVHIQNPBU-PHXNAMCJSA-N 0 3 368.529 2.774 50 0 FFAAHN Cn1cc(CN2CCC[C@@H]3CN(C(=O)Cc4ccccc4F)CC[C@@H]32)cn1 ZINC000019110902 1022495826 /nfs/dbraw/zinc/49/58/26/1022495826.db2.gz MNXCJPAKUGNSNA-QUCCMNQESA-N 0 3 370.472 2.615 50 0 FFAAHN CCC(C)(C)N1CCN(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)CC1 ZINC000654508546 1025091574 /nfs/dbraw/zinc/09/15/74/1025091574.db2.gz OUYDUERQGKVKCD-INIZCTEOSA-N 0 3 370.501 2.844 50 0 FFAAHN Cc1cc(C[C@@H]2CN(Cc3cnc(-c4cccc(C)c4)nc3)C[C@H]2O)n[nH]1 ZINC001529101866 1062163557 /nfs/dbraw/zinc/16/35/57/1062163557.db2.gz PSTXBVNISMTAET-UYAOXDASSA-N 0 3 363.465 2.519 50 0 FFAAHN Cc1cc(C[C@@H]2CN(Cc3cnc(-c4cccc(C)c4)nc3)C[C@H]2O)[nH]n1 ZINC001529101866 1062163571 /nfs/dbraw/zinc/16/35/71/1062163571.db2.gz PSTXBVNISMTAET-UYAOXDASSA-N 0 3 363.465 2.519 50 0 FFAAHN Cc1ccc(-c2cccc(C(=O)N3C[C@H](O)[C@@H](N4CCCCC4)C3)c2)nc1 ZINC000299779161 210023416 /nfs/dbraw/zinc/02/34/16/210023416.db2.gz QSKGUJRLXMIMCD-SFTDATJTSA-N 0 3 365.477 2.728 50 0 FFAAHN CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1cccc(O)c1)CCO2 ZINC000299775776 210021171 /nfs/dbraw/zinc/02/11/71/210021171.db2.gz JLQCIGIXAXLMBW-OAQYLSRUSA-N 0 3 356.466 2.556 50 0 FFAAHN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(CCO)CC1 ZINC000012709835 220019408 /nfs/dbraw/zinc/01/94/08/220019408.db2.gz DKCUZNUZTWIMDZ-UHFFFAOYSA-N 0 3 359.388 2.886 50 0 FFAAHN COc1cc(CCC(=O)N[C@@H]2CCCN(C)C2)ccc1OCC(F)(F)F ZINC000058390959 212007934 /nfs/dbraw/zinc/00/79/34/212007934.db2.gz QMGUKWHFGJFEGI-CQSZACIVSA-N 0 3 374.403 2.779 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)c1cccc(CSc2nccn2C)c1 ZINC000058282421 212001989 /nfs/dbraw/zinc/00/19/89/212001989.db2.gz XFTBWKBAIRCIKP-KRWDZBQOSA-N 0 3 358.511 2.927 50 0 FFAAHN Cc1cc(-c2cc(=O)[n-]c(-c3cccc(C[N@@H+]4CC[C@H](O)C4)c3)n2)c(C)o1 ZINC000023619128 211391644 /nfs/dbraw/zinc/39/16/44/211391644.db2.gz PISJPZUUENYKHE-KRWDZBQOSA-N 0 3 365.433 2.880 50 0 FFAAHN Cc1cc(-c2cc(=O)[n-]c(-c3cccc(C[N@H+]4CC[C@H](O)C4)c3)n2)c(C)o1 ZINC000023619128 211391646 /nfs/dbraw/zinc/39/16/46/211391646.db2.gz PISJPZUUENYKHE-KRWDZBQOSA-N 0 3 365.433 2.880 50 0 FFAAHN O[C@H]1CN(Cc2cccc3c4ccccc4sc32)C[C@@H]1N1CCOCC1 ZINC000023373215 211387635 /nfs/dbraw/zinc/38/76/35/211387635.db2.gz JXBDHPKCXJTXQF-OALUTQOASA-N 0 3 368.502 2.932 50 0 FFAAHN Cc1nc(C2CCN(Cc3cnn(-c4cccc(F)c4)c3)CC2)cc(=O)[nH]1 ZINC000023338243 211384250 /nfs/dbraw/zinc/38/42/50/211384250.db2.gz IDKKHAYQDSNFLJ-UHFFFAOYSA-N 0 3 367.428 2.783 50 0 FFAAHN COc1ccc([C@H](CNC(=O)c2cc(=O)[nH]c3ccccc32)N(C)C)cc1 ZINC000022414477 211350315 /nfs/dbraw/zinc/35/03/15/211350315.db2.gz DODGXJXZLVNEBE-IBGZPJMESA-N 0 3 365.433 2.982 50 0 FFAAHN C[C@@H]1CCCCN1CCNC(=O)COCc1cc(-c2cccs2)on1 ZINC000021528148 211314972 /nfs/dbraw/zinc/31/49/72/211314972.db2.gz SHLKPDALBGTCED-CQSZACIVSA-N 0 3 363.483 2.910 50 0 FFAAHN O=C(NCc1nc(-c2ccccc2)n[n-]1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000020999647 211302966 /nfs/dbraw/zinc/30/29/66/211302966.db2.gz OMBIWJXHIJCCQF-ZDUSSCGKSA-N 0 3 353.451 2.888 50 0 FFAAHN O=C(NCc1n[n-]c(-c2ccccc2)n1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000020999647 211302971 /nfs/dbraw/zinc/30/29/71/211302971.db2.gz OMBIWJXHIJCCQF-ZDUSSCGKSA-N 0 3 353.451 2.888 50 0 FFAAHN O=C1C=C(N2CCN(C3CCCCC3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000020458031 211281885 /nfs/dbraw/zinc/28/18/85/211281885.db2.gz COYTTZLVRDMQBU-UHFFFAOYSA-N 0 3 357.429 2.533 50 0 FFAAHN COc1cccc(CNCCN2CCOCC2)c1OCc1ccccc1 ZINC000019568259 211236609 /nfs/dbraw/zinc/23/66/09/211236609.db2.gz CPYLHMLJDDMXSG-UHFFFAOYSA-N 0 3 356.466 2.696 50 0 FFAAHN Cc1ncc2c(c1-c1noc(-c3cccc(Cn4cccn4)c3)n1)CCNC2 ZINC000019535312 211231018 /nfs/dbraw/zinc/23/10/18/211231018.db2.gz UGKSDAUPILXPLO-UHFFFAOYSA-N 0 3 372.432 2.998 50 0 FFAAHN CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NC[C@@H](C)c1ccccc1 ZINC000015679427 211137273 /nfs/dbraw/zinc/13/72/73/211137273.db2.gz CAOIAQLITLOYDE-OAHLLOKOSA-N 0 3 356.466 2.634 50 0 biogenic FFAAHN CN(Cc1ccccc1)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000014981624 211110006 /nfs/dbraw/zinc/11/00/06/211110006.db2.gz GKXMNDNVBNTFQN-NRFANRHFSA-N 0 3 374.431 2.950 50 0 FFAAHN CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1ccncc1)CC2 ZINC000014542813 211094199 /nfs/dbraw/zinc/09/41/99/211094199.db2.gz UGIOYXROADSJKA-UHFFFAOYSA-N 0 3 364.449 2.510 50 0 FFAAHN COc1ccc(C)cc1NC(=O)CNC(=O)CN(C)C1CCCCCC1 ZINC000013000578 211018345 /nfs/dbraw/zinc/01/83/45/211018345.db2.gz RWKWGLQXQRYQPQ-UHFFFAOYSA-N 0 3 361.486 2.713 50 0 FFAAHN OCCN(Cc1ccccc1)C[C@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434652 210371564 /nfs/dbraw/zinc/37/15/64/210371564.db2.gz MMNNUYXIVQXWHA-DLBGWFIVSA-N 0 3 359.510 2.827 50 0 FFAAHN COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccncc3)c2C)C1=O ZINC000001132223 210323063 /nfs/dbraw/zinc/32/30/63/210323063.db2.gz WPTUJEFKQBHVDS-OQLLNIDSSA-N 0 3 371.418 2.698 50 0 FFAAHN CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)CN3CCCCC3)cc21 ZINC000000811135 210274680 /nfs/dbraw/zinc/27/46/80/210274680.db2.gz APURFTXATHSXJQ-MRXNPFEDSA-N 0 3 374.481 2.889 50 0 FFAAHN CCOc1ccc(N2C(=O)C[C@H](NCCc3ccccc3OC)C2=O)cc1 ZINC000000846385 210281068 /nfs/dbraw/zinc/28/10/68/210281068.db2.gz MJHGOUHEDVMVPS-SFHVURJKSA-N 0 3 368.433 2.558 50 0 FFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1COc2ccccc2O1 ZINC000000797012 210271878 /nfs/dbraw/zinc/27/18/78/210271878.db2.gz RDOZZKMGMCJBJF-HXUWFJFHSA-N 0 3 352.434 2.607 50 0 FFAAHN CN(C)CCNC(=O)c1cccc2c1CCN2C(=O)Nc1ccccc1 ZINC000065210118 221179702 /nfs/dbraw/zinc/17/97/02/221179702.db2.gz ZMGYYRPZPAISAD-UHFFFAOYSA-N 0 3 352.438 2.573 50 0 FFAAHN CNC(=O)[C@@H]1CCN(Cc2ccc(C(=O)Nc3cccc(OC)c3)cc2)C1 ZINC000065381521 221207941 /nfs/dbraw/zinc/20/79/41/221207941.db2.gz MTIGIHIOLCADQF-QGZVFWFLSA-N 0 3 367.449 2.515 50 0 FFAAHN O=C(NCc1cn2c(n1)SCC2)c1ccc(CN2CCCCC2)cc1 ZINC000065527209 221231431 /nfs/dbraw/zinc/23/14/31/221231431.db2.gz VIKODCLHVGDLNO-UHFFFAOYSA-N 0 3 356.495 2.905 50 0 FFAAHN CN1CCC(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000067613791 221262124 /nfs/dbraw/zinc/26/21/24/221262124.db2.gz CNJQXWLVAJTCFT-UHFFFAOYSA-N 0 3 367.896 2.902 50 0 FFAAHN COc1ccccc1-n1cc(-c2nc(CC3CCN(C)CC3)no2)cn1 ZINC000067739603 221278533 /nfs/dbraw/zinc/27/85/33/221278533.db2.gz NPAMXODLUKYTNZ-UHFFFAOYSA-N 0 3 353.426 2.815 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N(C)[C@@H](C)c3ccncc3)cnn2c1 ZINC000067786784 221285437 /nfs/dbraw/zinc/28/54/37/221285437.db2.gz TVVNIFOWSJHKOD-HNNXBMFYSA-N 0 3 366.469 2.799 50 0 FFAAHN CCNC(=O)[C@H]1CCN(Cc2cccc(C(=O)Nc3c(C)noc3C)c2)C1 ZINC000067886324 221300635 /nfs/dbraw/zinc/30/06/35/221300635.db2.gz KFBFFYATOIQOHZ-KRWDZBQOSA-N 0 3 370.453 2.502 50 0 FFAAHN NC1(C(=O)NCc2nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]2)CCC1 ZINC000067920036 221305851 /nfs/dbraw/zinc/30/58/51/221305851.db2.gz RNFSHLJIYRURKX-UHFFFAOYSA-N 0 3 365.412 2.775 50 0 FFAAHN NC1(C(=O)NCc2nc(-c3ccccn3)c(-c3cccc(F)c3)[nH]2)CCC1 ZINC000067920036 221305854 /nfs/dbraw/zinc/30/58/54/221305854.db2.gz RNFSHLJIYRURKX-UHFFFAOYSA-N 0 3 365.412 2.775 50 0 FFAAHN C[C@@H]1C[C@H](C)CN(CCNC(=O)[C@@H]2CC(c3ccc(Cl)s3)=NO2)C1 ZINC000070006787 221330206 /nfs/dbraw/zinc/33/02/06/221330206.db2.gz BHFAXSIHOROYLX-SCRDCRAPSA-N 0 3 369.918 2.989 50 0 FFAAHN O=C(c1ccccc1O[C@@H]1CCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000071769297 221374205 /nfs/dbraw/zinc/37/42/05/221374205.db2.gz GPFOPIMCMNEDIZ-LJQANCHMSA-N 0 3 366.461 2.812 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)C3CCOCC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071777042 221375510 /nfs/dbraw/zinc/37/55/10/221375510.db2.gz TVMHYQYJAKRUAN-PWRODBHTSA-N 0 3 370.493 2.510 50 0 FFAAHN Cc1noc([C@@H]2CCCN2C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000286549181 257042498 /nfs/dbraw/zinc/04/24/98/257042498.db2.gz HLYFEFGZEZCHHV-ROUUACIJSA-N 0 3 369.469 2.889 50 0 FFAAHN C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000289856964 257303193 /nfs/dbraw/zinc/30/31/93/257303193.db2.gz QBTAXWDHPDLBEJ-WIYYLYMNSA-N 0 3 371.525 2.608 50 0 FFAAHN O=C(CN[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)N1CCNC(=O)C1 ZINC000329047128 258127917 /nfs/dbraw/zinc/12/79/17/258127917.db2.gz GBLQUORCWOLJAD-CABCVRRESA-N 0 3 369.387 2.730 50 0 FFAAHN Cc1cc2c(ncnc2N2CCC(N(C)Cc3cnn(C)c3)CC2)s1 ZINC000095497910 132212119 /nfs/dbraw/zinc/21/21/19/132212119.db2.gz IXTBCVQNBPLRPL-UHFFFAOYSA-N 0 3 356.499 2.834 50 0 FFAAHN C[C@@H](C(=O)Nc1nccs1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000241776761 132289585 /nfs/dbraw/zinc/28/95/85/132289585.db2.gz RSFYNLPIKQMXPB-AWEZNQCLSA-N 0 3 367.478 2.841 50 0 FFAAHN OCCCNc1nc(N2CCN(C3CCCCC3)CC2)nc2ccccc21 ZINC000041150415 136120799 /nfs/dbraw/zinc/12/07/99/136120799.db2.gz VLAXZNJBSLKMKF-UHFFFAOYSA-N 0 3 369.513 2.879 50 0 FFAAHN Cc1nc2c(c(N3CCC[C@@H](Cc4nc5ccccc5[nH]4)C3)n1)CCNC2 ZINC000071746640 136139976 /nfs/dbraw/zinc/13/99/76/136139976.db2.gz NMSBOLXEVBUVQU-HNNXBMFYSA-N 0 3 362.481 2.766 50 0 FFAAHN COc1ccc(CN2CCCC23CCN(c2ncccn2)CC3)cc1O ZINC000072424258 136146190 /nfs/dbraw/zinc/14/61/90/136146190.db2.gz GJLOLXGSZGEEGS-UHFFFAOYSA-N 0 3 354.454 2.826 50 0 FFAAHN COc1ccccc1Cn1nccc1NC(=O)NCCN1CCCCC1 ZINC000096136912 222041217 /nfs/dbraw/zinc/04/12/17/222041217.db2.gz KOAMDECFTZPBBD-UHFFFAOYSA-N 0 3 357.458 2.547 50 0 FFAAHN COc1cccc(-c2cc(-c3nc(C)nn3C3CCN(C)CC3)n[nH]2)c1 ZINC000096140116 222044337 /nfs/dbraw/zinc/04/43/37/222044337.db2.gz SQEKZROIBSLWKV-UHFFFAOYSA-N 0 3 352.442 2.919 50 0 FFAAHN Cc1nn(C)c2nc(N3CCN(C4Cc5ccccc5C4)CC3)sc12 ZINC000096165977 222066622 /nfs/dbraw/zinc/06/66/22/222066622.db2.gz PIDVDRQAPXROHQ-UHFFFAOYSA-N 0 3 353.495 2.628 50 0 FFAAHN CCN(CCc1nc2cc(OC)ccc2[nH]1)C(=O)[C@@H]1CCCCCN1C ZINC000097213294 222168965 /nfs/dbraw/zinc/16/89/65/222168965.db2.gz AWDUFNRYCRDARN-SFHVURJKSA-N 0 3 358.486 2.837 50 0 FFAAHN Cn1nc2cccc(NC(=O)NC[C@@H]3CCCN(Cc4ccco4)C3)c2n1 ZINC000097551430 222191331 /nfs/dbraw/zinc/19/13/31/222191331.db2.gz BKECSLNDIZELFG-AWEZNQCLSA-N 0 3 368.441 2.595 50 0 FFAAHN CN(C(=O)CCc1cn2ccccc2n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000097578974 222194156 /nfs/dbraw/zinc/19/41/56/222194156.db2.gz UDEJRCJLIAENFU-FQEVSTJZSA-N 0 3 362.477 3.000 50 0 FFAAHN C[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccccc1-c1nc[nH]n1 ZINC000097681851 222205626 /nfs/dbraw/zinc/20/56/26/222205626.db2.gz OUSUVSRNHNQYRB-OAHLLOKOSA-N 0 3 361.449 2.648 50 0 FFAAHN C[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccccc1-c1nnc[nH]1 ZINC000097681851 222205628 /nfs/dbraw/zinc/20/56/28/222205628.db2.gz OUSUVSRNHNQYRB-OAHLLOKOSA-N 0 3 361.449 2.648 50 0 FFAAHN O=C(CCc1n[nH]c2c1CCCC2)NC[C@@H](c1ccco1)N1CCCC1 ZINC000097773115 222211526 /nfs/dbraw/zinc/21/15/26/222211526.db2.gz DHOAMKIEAUOERN-SFHVURJKSA-N 0 3 356.470 2.767 50 0 FFAAHN Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000106087997 222382112 /nfs/dbraw/zinc/38/21/12/222382112.db2.gz DUPSGSPKPQBJJZ-GDBMZVCRSA-N 0 3 360.502 2.939 50 0 FFAAHN CNC(=O)c1ccc(CN(C[C@@H](O)COc2ccc(F)cc2)C2CC2)cc1 ZINC000025196124 263388184 /nfs/dbraw/zinc/38/81/84/263388184.db2.gz ZPUYJSWDRSOJLN-LJQANCHMSA-N 0 3 372.440 2.590 50 0 FFAAHN O=C(NCc1cc(F)cc(F)c1)N1CCC(N2CCSCC2)CC1 ZINC000426563060 263634592 /nfs/dbraw/zinc/63/45/92/263634592.db2.gz PMMHJUSKMSGOFT-UHFFFAOYSA-N 0 3 355.454 2.688 50 0 FFAAHN COCCCN(Cc1ccc(C)o1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036097855 506397065 /nfs/dbraw/zinc/39/70/65/506397065.db2.gz ZHKBSPQFLXVUHN-QGZVFWFLSA-N 0 3 363.454 2.875 50 0 FFAAHN COc1ccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)c(OC)c1C ZINC000039400652 506450535 /nfs/dbraw/zinc/45/05/35/506450535.db2.gz WARYVDSZZMHRRS-LJQANCHMSA-N 0 3 362.514 2.823 50 0 FFAAHN COc1cccc(OC)c1CN1CCN(C2CCCCC2)[C@H](CCO)C1 ZINC000039557783 506451842 /nfs/dbraw/zinc/45/18/42/506451842.db2.gz XBXXUAQEMHMPED-GOSISDBHSA-N 0 3 362.514 2.905 50 0 FFAAHN CC(C)(CNC(=O)NCC(=O)Nc1ccc(Cl)cc1)N1CCCCC1 ZINC000054649404 506595641 /nfs/dbraw/zinc/59/56/41/506595641.db2.gz ABCCUHMSPGCSCQ-UHFFFAOYSA-N 0 3 366.893 2.842 50 0 FFAAHN COc1cc(CNC2CC2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C ZINC000008991644 506676003 /nfs/dbraw/zinc/67/60/03/506676003.db2.gz DMSMKVUBTFAUTA-UHFFFAOYSA-N 0 3 367.449 2.717 50 0 FFAAHN CCN1CCN(CCCCNC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000042959719 506682684 /nfs/dbraw/zinc/68/26/84/506682684.db2.gz HZXHOMBUWYVREQ-FQEVSTJZSA-N 0 3 358.530 2.781 50 0 FFAAHN COCCN(C(=O)CCn1c(C)cc2ccccc21)C1CCN(C)CC1 ZINC000055182690 506694362 /nfs/dbraw/zinc/69/43/62/506694362.db2.gz CCVSTPMBCGAHLU-UHFFFAOYSA-N 0 3 357.498 2.909 50 0 FFAAHN CC(C)n1nc(C(=O)NCC(C)(C)N2CCCCC2)c2ccccc2c1=O ZINC000009750075 506711235 /nfs/dbraw/zinc/71/12/35/506711235.db2.gz CLIYZVWTGQAZAW-UHFFFAOYSA-N 0 3 370.497 2.972 50 0 FFAAHN O[C@@H](Cn1c2c(c3cccc(Cl)c31)CCCC2)CN1CCC(O)CC1 ZINC000012421982 506862412 /nfs/dbraw/zinc/86/24/12/506862412.db2.gz TUCKJXYIKVYSTQ-OAHLLOKOSA-N 0 3 362.901 2.991 50 0 FFAAHN CCS(=O)(=O)N(Cc1cccc(OCCN2CCCCC2)c1)C1CC1 ZINC000012573343 506880785 /nfs/dbraw/zinc/88/07/85/506880785.db2.gz WFTASRKKZQHDOJ-UHFFFAOYSA-N 0 3 366.527 2.865 50 0 FFAAHN COc1cccc(-c2cc(CC3(O)CCN(CC(C)(C)CO)CC3)on2)c1 ZINC000020149107 507213601 /nfs/dbraw/zinc/21/36/01/507213601.db2.gz RKKIUJDCEOSRTF-UHFFFAOYSA-N 0 3 374.481 2.738 50 0 FFAAHN O=C(Cc1csc(Cc2ccc(F)cc2)n1)N[C@@H]1CCN(C2CC2)C1 ZINC000057555089 507285857 /nfs/dbraw/zinc/28/58/57/507285857.db2.gz YOOHJVIMLPCPPE-OAHLLOKOSA-N 0 3 359.470 2.768 50 0 FFAAHN COc1ccccc1[C@H](CNc1cc(C)nc2ncnn21)N1CCCC1 ZINC000057584465 507290117 /nfs/dbraw/zinc/29/01/17/507290117.db2.gz BKKCPNUOCXPDAA-INIZCTEOSA-N 0 3 352.442 2.690 50 0 FFAAHN COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1 ZINC000023127639 507331105 /nfs/dbraw/zinc/33/11/05/507331105.db2.gz IAEGOHPRCIIVEW-UHFFFAOYSA-N 0 3 374.506 2.886 50 0 FFAAHN O=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1cccs1 ZINC000023127630 507331474 /nfs/dbraw/zinc/33/14/74/507331474.db2.gz DRXXGGVNSRFTQC-UHFFFAOYSA-N 0 3 350.509 2.939 50 0 FFAAHN CN(C)Cc1ccccc1CNC(=O)CCCNC(=O)c1ccccc1 ZINC000024084585 507391732 /nfs/dbraw/zinc/39/17/32/507391732.db2.gz YDXPGDJMWRQGRB-UHFFFAOYSA-N 0 3 353.466 2.575 50 0 FFAAHN COc1ccc(CCN[C@@H](C(=O)NC2CC2)c2ccccc2)cc1OC ZINC000024517654 507417581 /nfs/dbraw/zinc/41/75/81/507417581.db2.gz LYOWFIFNUBUNII-HXUWFJFHSA-N 0 3 354.450 2.856 50 0 FFAAHN CC(C(=O)NC(C)(C)C)S(=O)(=O)c1nc(-c2ccccc2)cs1 ZINC000047941745 507421017 /nfs/dbraw/zinc/42/10/17/507421017.db2.gz RXPMUAVNRBJZFW-LLVKDONJSA-N 0 3 352.481 2.887 50 0 FFAAHN Cc1c(C(=O)NCC(C)C)nnn1-c1cccc2c1CCN(C(C)C)C2 ZINC000069951919 507591100 /nfs/dbraw/zinc/59/11/00/507591100.db2.gz HFMUFHUMTLHQAL-UHFFFAOYSA-N 0 3 355.486 2.728 50 0 FFAAHN COC(=O)C1=C(CN2CCCC[C@@H]2C)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318297 507761500 /nfs/dbraw/zinc/76/15/00/507761500.db2.gz STOBRSJMJNWINW-KBXCAEBGSA-N 0 3 357.454 2.650 50 0 FFAAHN Cc1nc[nH]c1CN1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072165366 507766432 /nfs/dbraw/zinc/76/64/32/507766432.db2.gz BMJYSXVFYAGMGW-ZLGUVYLKSA-N 0 3 366.465 2.509 50 0 FFAAHN COc1cccc([C@H]2CN(Cc3cccnc3N)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072164221 507767375 /nfs/dbraw/zinc/76/73/75/507767375.db2.gz OADCKFHCIQWXTD-NJDAHSKKSA-N 0 3 364.493 2.735 50 0 FFAAHN CN1CCC(Cc2noc(-c3cn(Cc4cccc(Cl)c4)nn3)n2)CC1 ZINC000072174085 507769748 /nfs/dbraw/zinc/76/97/48/507769748.db2.gz NCOZSUXDFRUETH-UHFFFAOYSA-N 0 3 372.860 2.914 50 0 FFAAHN COCCN1CCC[C@]2(CCN(C(=O)C3(c4ccccc4F)CC3)C2)C1 ZINC000072172605 507769844 /nfs/dbraw/zinc/76/98/44/507769844.db2.gz AUOJAYJPMKBBPZ-FQEVSTJZSA-N 0 3 360.473 2.818 50 0 FFAAHN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N(C)[C@H]3CCCN(C)C3)C2)c1 ZINC000072295492 507772468 /nfs/dbraw/zinc/77/24/68/507772468.db2.gz AAHKRSUTXWMMQJ-QUCCMNQESA-N 0 3 371.525 2.708 50 0 FFAAHN O=C1CC[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@H]2N1CCCCO ZINC000072406816 507784041 /nfs/dbraw/zinc/78/40/41/507784041.db2.gz GSWVMHPRJVCLQK-FUHWJXTLSA-N 0 3 350.890 2.925 50 0 FFAAHN C[C@H](C1CCN(C(=O)c2cc3ccccc3cn2)CC1)N1CCOCC1 ZINC000072407944 507785073 /nfs/dbraw/zinc/78/50/73/507785073.db2.gz DJCZTSLKSWJYQL-MRXNPFEDSA-N 0 3 353.466 2.808 50 0 FFAAHN Nc1nc(CCC(=O)N2CCC(N3CCc4ccccc4C3)CC2)cs1 ZINC000072431109 507790011 /nfs/dbraw/zinc/79/00/11/507790011.db2.gz KDUNASNHLOFAFA-UHFFFAOYSA-N 0 3 370.522 2.707 50 0 FFAAHN COc1cc2c(cc1Cn1ccnc1-c1cc3n(n1)CCCNC3)CCC2 ZINC000072468488 507794771 /nfs/dbraw/zinc/79/47/71/507794771.db2.gz YVKSUNYWWLCIPW-UHFFFAOYSA-N 0 3 363.465 2.786 50 0 FFAAHN COc1cccc(-n2cc(CN(C)C(=O)[C@H]3CCCCCN3C)cn2)c1 ZINC000072478969 507796827 /nfs/dbraw/zinc/79/68/27/507796827.db2.gz LFWKRLKIZKHWLE-LJQANCHMSA-N 0 3 356.470 2.714 50 0 FFAAHN Cn1ncc2c1CCC[C@@H]2NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000031662102 507820868 /nfs/dbraw/zinc/82/08/68/507820868.db2.gz QJDWXNHSBPJTOC-IBGZPJMESA-N 0 3 367.497 2.761 50 0 FFAAHN CC1CCN(C[C@H](O)CNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000078803162 507908940 /nfs/dbraw/zinc/90/89/40/507908940.db2.gz QZDZTCUOUZEBOU-KZNAEPCWSA-N 0 3 350.890 2.653 50 0 FFAAHN Cc1cnc(CN2C[C@]3(CCCN(Cc4ccco4)C3)CCC2=O)cn1 ZINC000091270610 507977703 /nfs/dbraw/zinc/97/77/03/507977703.db2.gz YFLKEGKROQXDJU-HXUWFJFHSA-N 0 3 354.454 2.783 50 0 FFAAHN CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-n3cnnc3)cc1)C2 ZINC000091416666 507984160 /nfs/dbraw/zinc/98/41/60/507984160.db2.gz QIJZTXTWOSSUBU-YLJYHZDGSA-N 0 3 365.481 2.770 50 0 FFAAHN CC1(C)CN(Cc2ccccc2Cl)CC[C@@]1(O)CN1CCOCC1 ZINC000091526677 507991614 /nfs/dbraw/zinc/99/16/14/507991614.db2.gz STSIFPNIAWRMBB-LJQANCHMSA-N 0 3 352.906 2.635 50 0 FFAAHN O=C(c1ccco1)N1CCC[C@@H]([NH2+]Cc2cc(=O)c3cccc(F)c3[n-]2)C1 ZINC000091587127 507994119 /nfs/dbraw/zinc/99/41/19/507994119.db2.gz YKPAYIYSCQWWBE-CYBMUJFWSA-N 0 3 369.396 2.655 50 0 FFAAHN CN(C)c1ccc(CN2CC[C@@]3(C2)CCCN(C2CCCC2)C3=O)cn1 ZINC000091617045 507996185 /nfs/dbraw/zinc/99/61/85/507996185.db2.gz UTAZCDCPPYQOFX-OAQYLSRUSA-N 0 3 356.514 2.905 50 0 FFAAHN CCSc1ncc(CN2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)cn1 ZINC000091808796 508014890 /nfs/dbraw/zinc/01/48/90/508014890.db2.gz XVOJPDGDQOVTFM-CRAIPNDOSA-N 0 3 362.543 2.664 50 0 FFAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1scnc1C)CC2 ZINC000091876523 508020992 /nfs/dbraw/zinc/02/09/92/508020992.db2.gz URZGHSYOHUNYJH-UHFFFAOYSA-N 0 3 373.526 2.964 50 0 FFAAHN Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c(C)c1 ZINC000091872215 508021126 /nfs/dbraw/zinc/02/11/26/508021126.db2.gz FNIUQLSEHZEBPL-UHFFFAOYSA-N 0 3 371.525 2.710 50 0 FFAAHN CCN1CCc2nc[nH]c2C12CCN(Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000091876408 508021330 /nfs/dbraw/zinc/02/13/30/508021330.db2.gz PKRZIQPAFDVXKL-UHFFFAOYSA-N 0 3 366.469 2.762 50 0 FFAAHN CCc1nn(C)c(Cl)c1CN1CC[C@]2(C1)CCCN(C(C)C)C2=O ZINC000091896158 508022353 /nfs/dbraw/zinc/02/23/53/508022353.db2.gz CYJYCXCHKYFZIE-SFHVURJKSA-N 0 3 352.910 2.859 50 0 FFAAHN CSc1cccc(CN2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)c1 ZINC000091974202 508028864 /nfs/dbraw/zinc/02/88/64/508028864.db2.gz KULGIWLCRAOMBS-FQEVSTJZSA-N 0 3 364.555 2.704 50 0 FFAAHN Cc1ccc([C@H]2CN(c3ccc(C(N)=O)cn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095370741 508178085 /nfs/dbraw/zinc/17/80/85/508178085.db2.gz STIZXZVVMVGQGT-HMXCVIKNSA-N 0 3 362.477 2.556 50 0 FFAAHN COc1ccc2[nH]c(CNC(=O)C3CCN(Cc4ccco4)CC3)nc2c1 ZINC000095372167 508179002 /nfs/dbraw/zinc/17/90/02/508179002.db2.gz XDVICSSXTKCBHC-UHFFFAOYSA-N 0 3 368.437 2.693 50 0 FFAAHN COc1ccc2nc(CNC(=O)C3CCN(Cc4ccco4)CC3)[nH]c2c1 ZINC000095372167 508179004 /nfs/dbraw/zinc/17/90/04/508179004.db2.gz XDVICSSXTKCBHC-UHFFFAOYSA-N 0 3 368.437 2.693 50 0 FFAAHN CCc1nccn1CCC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095382596 508181181 /nfs/dbraw/zinc/18/11/81/508181181.db2.gz DVJZMQNTDHVJBH-WOJBJXKFSA-N 0 3 366.509 2.959 50 0 FFAAHN CCn1nc(C)c(CN2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)c1C ZINC000095510344 508192840 /nfs/dbraw/zinc/19/28/40/508192840.db2.gz HKPIQZKETBXGKD-DOTOQJQBSA-N 0 3 373.526 2.599 50 0 FFAAHN CNC(=O)c1ccc(CNC(=O)Nc2ccccc2CN2CCCCC2)o1 ZINC000095512551 508193439 /nfs/dbraw/zinc/19/34/39/508193439.db2.gz JWLBIIHCIXUUSD-UHFFFAOYSA-N 0 3 370.453 2.947 50 0 FFAAHN COc1ccc(CN2CCC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000095524796 508195660 /nfs/dbraw/zinc/19/56/60/508195660.db2.gz FVXZGNLQPJLARK-FQEVSTJZSA-N 0 3 370.493 2.773 50 0 FFAAHN Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)c([O-])c1 ZINC000095527257 508196242 /nfs/dbraw/zinc/19/62/42/508196242.db2.gz RMVFSFKQSPUKRG-QGZVFWFLSA-N 0 3 370.497 2.869 50 0 FFAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)CCc2ccsc2)C1 ZINC000095528875 508196252 /nfs/dbraw/zinc/19/62/52/508196252.db2.gz QZOAEURJTPOIPE-QGZVFWFLSA-N 0 3 360.527 2.845 50 0 FFAAHN Cc1c(CN2CCC[C@H](c3nccn3Cc3cccnc3)C2)cnn1C ZINC000095531266 508196808 /nfs/dbraw/zinc/19/68/08/508196808.db2.gz LQUULIPGZZLYKY-SFHVURJKSA-N 0 3 350.470 2.748 50 0 FFAAHN CCN1CCN(Cc2ccc(NC(=O)[C@@H](C3CC3)N3CCCC3)cc2)CC1 ZINC000095939771 508198748 /nfs/dbraw/zinc/19/87/48/508198748.db2.gz GFPNKGOUCMXRIX-OAQYLSRUSA-N 0 3 370.541 2.637 50 0 FFAAHN CS[C@@H]1CN(C(=O)Nc2ccccc2-n2nc(C)cc2C)C[C@@H]1N(C)C ZINC000095996480 508200684 /nfs/dbraw/zinc/20/06/84/508200684.db2.gz TUGVWROBPVINMS-ZWKOTPCHSA-N 0 3 373.526 2.998 50 0 FFAAHN O=C(c1cccc(Oc2cnccn2)c1)N1CCC[C@H]1CN1CCCC1 ZINC000076587120 508227698 /nfs/dbraw/zinc/22/76/98/508227698.db2.gz IQEJIAXWUXYXJR-KRWDZBQOSA-N 0 3 352.438 2.969 50 0 FFAAHN C[C@H]1CN(C)CCN1CC1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000085468234 508310191 /nfs/dbraw/zinc/31/01/91/508310191.db2.gz SLQVGDNSOSMCGO-ZDUSSCGKSA-N 0 3 355.935 2.890 50 0 FFAAHN CCOc1ccc(-c2nc(CN3CC[C@H](CN4CCOCC4)C3)co2)cc1 ZINC000153473687 508586691 /nfs/dbraw/zinc/58/66/91/508586691.db2.gz MBXRIALILMLEJX-QGZVFWFLSA-N 0 3 371.481 2.894 50 0 FFAAHN Cc1cc2occ(CC(=O)NCCN3CCC[C@H](CO)C3)c2cc1Cl ZINC000214978741 509241202 /nfs/dbraw/zinc/24/12/02/509241202.db2.gz NIHYJBPHEFJNGO-AWEZNQCLSA-N 0 3 364.873 2.758 50 0 FFAAHN COc1ccc(-n2cccn2)c(CN2CCC(Cn3cccn3)CC2)c1 ZINC000215120128 509243864 /nfs/dbraw/zinc/24/38/64/509243864.db2.gz KNVSZFVSXVYQLK-UHFFFAOYSA-N 0 3 351.454 2.990 50 0 FFAAHN CCOc1ccc2[nH]c(=O)c(CN3CCC(c4noc(C)n4)CC3)cc2c1 ZINC000216452849 509261765 /nfs/dbraw/zinc/26/17/65/509261765.db2.gz XSVCCSLDYCBRMG-UHFFFAOYSA-N 0 3 368.437 2.998 50 0 FFAAHN O=C(NC[C@H]1CCCN(CCO)C1)c1cccc(-c2ccccc2F)c1 ZINC000223067908 509328701 /nfs/dbraw/zinc/32/87/01/509328701.db2.gz ZQBRSYHDDYHUIR-MRXNPFEDSA-N 0 3 356.441 2.927 50 0 FFAAHN COCCN1CCN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000170601583 509677136 /nfs/dbraw/zinc/67/71/36/509677136.db2.gz VAVVTFSAIJFJLS-MSOLQXFVSA-N 0 3 369.550 2.676 50 0 FFAAHN O=C(N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)C1(N2CCCC2)CCCC1 ZINC000244701261 509865838 /nfs/dbraw/zinc/86/58/38/509865838.db2.gz KDCQBOAWMRJAOS-UFYCRDLUSA-N 0 3 356.510 2.893 50 0 FFAAHN Cc1cc([C@@H]2CCCN2CCN2CCN(Cc3ccccc3)CC2)on1 ZINC000244723760 509867452 /nfs/dbraw/zinc/86/74/52/509867452.db2.gz MGUKRVHEVZXTBM-FQEVSTJZSA-N 0 3 354.498 2.938 50 0 FFAAHN CCOC(=O)C(=NNc1ccccc1Cl)N(C)C1CCN(C)CC1 ZINC000254868406 509911846 /nfs/dbraw/zinc/91/18/46/509911846.db2.gz RSIOOLKAZPFXOJ-UHFFFAOYSA-N 0 3 352.866 2.655 50 0 FFAAHN O[C@@]1(c2ccccn2)CCOC2(CCN(Cc3ccncc3F)CC2)C1 ZINC000257174056 509944297 /nfs/dbraw/zinc/94/42/97/509944297.db2.gz BUMQLULVUKDBFW-FQEVSTJZSA-N 0 3 357.429 2.649 50 0 FFAAHN CCNC(=O)c1ccc(NC2CCN(CCc3ccccc3)CC2)nc1 ZINC000171973273 510481507 /nfs/dbraw/zinc/48/15/07/510481507.db2.gz FMJIJTDCWRASGO-UHFFFAOYSA-N 0 3 352.482 2.950 50 0 FFAAHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cn(C(C)(C)C)nn1 ZINC000191547936 510717041 /nfs/dbraw/zinc/71/70/41/510717041.db2.gz OFBSONLKBGVNPB-KRWDZBQOSA-N 0 3 370.501 2.555 50 0 FFAAHN C[C@H]1CN([C@H](CNCc2cncn2C)c2c(F)cccc2Cl)CCO1 ZINC000263844259 510852763 /nfs/dbraw/zinc/85/27/63/510852763.db2.gz JDMLCLQTZMGLSC-SUMWQHHRSA-N 0 3 366.868 2.764 50 0 FFAAHN O=C(c1ccccc1)N1CC[C@H](CN2CCC(Nc3cccnn3)CC2)C1 ZINC000283580633 511422705 /nfs/dbraw/zinc/42/27/05/511422705.db2.gz PBWQKNHXUQORBL-QGZVFWFLSA-N 0 3 365.481 2.515 50 0 FFAAHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc2c(c1)CCN2C(=O)C(C)(C)C ZINC000371931948 512640741 /nfs/dbraw/zinc/64/07/41/512640741.db2.gz PWXWYQWGNXUHSN-KDOFPFPSSA-N 0 3 369.509 2.834 50 0 FFAAHN C[C@@H](NC(=O)NC1CCN(C)CC1)C(O)(c1ccccc1)c1ccccc1 ZINC000426470819 513949220 /nfs/dbraw/zinc/94/92/20/513949220.db2.gz MPAOQEQRFAOIAY-QGZVFWFLSA-N 0 3 367.493 2.704 50 0 FFAAHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1conc1-c1ccccc1 ZINC000426544581 513975108 /nfs/dbraw/zinc/97/51/08/513975108.db2.gz YQGCGPJSYATMKM-QGZVFWFLSA-N 0 3 355.438 2.715 50 0 FFAAHN CCC(=O)c1cccc(-c2ccc(C(=O)NC[C@@H]3CNCCO3)cc2)c1 ZINC000426550448 513976824 /nfs/dbraw/zinc/97/68/24/513976824.db2.gz MQPNPBYUDHUUPU-IBGZPJMESA-N 0 3 352.434 2.665 50 0 FFAAHN O=C(NCCc1cccs1)N1CCCO[C@@H](CN2CCCCC2)C1 ZINC000426550344 513977702 /nfs/dbraw/zinc/97/77/02/513977702.db2.gz BQTIDADKWPJQFO-INIZCTEOSA-N 0 3 351.516 2.577 50 0 FFAAHN C[C@H](O)c1cccc(-c2ccc(C(=O)NC3CCN(CCO)CC3)cc2)c1 ZINC000426635651 514001801 /nfs/dbraw/zinc/00/18/01/514001801.db2.gz XHCOZFPVHPKIDI-INIZCTEOSA-N 0 3 368.477 2.593 50 0 FFAAHN C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(-c3ccc([O-])cc3F)cc2)C1 ZINC000426647852 514004537 /nfs/dbraw/zinc/00/45/37/514004537.db2.gz BAJVKZUJQZKUPX-NRFANRHFSA-N 0 3 372.440 2.727 50 0 FFAAHN CCC(=O)N[C@@H]1CC[C@@]2(OC)CCN(Cc3ccc4nsnc4c3)[C@H]2C1 ZINC000534650560 517983697 /nfs/dbraw/zinc/98/36/97/517983697.db2.gz DPMYQBYMDBGRFJ-DKSSEZFCSA-N 0 3 374.510 2.730 50 0 FFAAHN Cc1ccc([C@H](NC(=O)NCC2(O)CCN(C)CC2)c2cccs2)cc1 ZINC000584886690 518523812 /nfs/dbraw/zinc/52/38/12/518523812.db2.gz XPRGLMGDWXDOAA-SFHVURJKSA-N 0 3 373.522 2.902 50 0 FFAAHN Cc1ccccc1[C@@H](NC(=O)NCC1(O)CCN(C)CC1)c1ccccc1 ZINC000584891830 518526482 /nfs/dbraw/zinc/52/64/82/518526482.db2.gz ZIOJUFRSALGHCN-FQEVSTJZSA-N 0 3 367.493 2.840 50 0 FFAAHN CN1CCOC[C@@H](CNC(=O)N(Cc2ccccn2)C2CCCCC2)C1 ZINC000584895858 518528224 /nfs/dbraw/zinc/52/82/24/518528224.db2.gz OWENSXAWKVLXHB-KRWDZBQOSA-N 0 3 360.502 2.504 50 0 FFAAHN CCN1CCN(C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000019790695 521685696 /nfs/dbraw/zinc/68/56/96/521685696.db2.gz RHWOLUBHHZKDCJ-KGMASTOKSA-N 0 3 350.547 2.608 50 0 FFAAHN COc1ccc(CN2CCN(C3CCSCC3)C[C@@H]2CCO)c(F)c1 ZINC000019791268 524032334 /nfs/dbraw/zinc/03/23/34/524032334.db2.gz NEFQWQPUKIZLEX-KRWDZBQOSA-N 0 3 368.518 2.599 50 0 FFAAHN COc1cnc(N[C@H]2CCN(Cc3ccccc3)C2)nc1-c1ccnn1C ZINC000020919879 524908969 /nfs/dbraw/zinc/90/89/69/524908969.db2.gz HZTNDVCADYYVQT-INIZCTEOSA-N 0 3 364.453 2.572 50 0 FFAAHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@H]2C)c2cccnc12 ZINC000252452690 525004952 /nfs/dbraw/zinc/00/49/52/525004952.db2.gz WNIGDLLABLACMP-HZPDHXFCSA-N 0 3 368.481 2.861 50 0 FFAAHN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCN(C)CC1 ZINC000020818751 525922894 /nfs/dbraw/zinc/92/28/94/525922894.db2.gz MYLUESADSMCWJT-QGZVFWFLSA-N 0 3 361.530 2.505 50 0 FFAAHN Cc1ccc(C(=O)CCCN2CCC3(CCC(=O)N(CCO)C3)CC2)cc1 ZINC000091536520 526041991 /nfs/dbraw/zinc/04/19/91/526041991.db2.gz MKQWBJZZSJAEHA-UHFFFAOYSA-N 0 3 372.509 2.655 50 0 FFAAHN O=C(NCc1cc2n(n1)CCCNC2)c1ccc(-c2cccc(F)c2)nc1 ZINC000082107919 526644994 /nfs/dbraw/zinc/64/49/94/526644994.db2.gz NDOAQYFBMKYTHL-UHFFFAOYSA-N 0 3 365.412 2.508 50 0 FFAAHN O=C(N[C@H](CO)CN1CCCC1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000390832697 526995911 /nfs/dbraw/zinc/99/59/11/526995911.db2.gz FZMCGEICFLFJND-QEJZJMRPSA-N 0 3 357.281 2.670 50 0 FFAAHN COCCN1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000252478046 536858527 /nfs/dbraw/zinc/85/85/27/536858527.db2.gz AAWIPKREZHIHHD-UHFFFAOYSA-N 0 3 371.447 2.938 50 0 FFAAHN COC(=O)/C=C1/SCC(=O)N1CCCN1CCC[C@H]1c1ccccc1 ZINC000103992232 570855729 /nfs/dbraw/zinc/85/57/29/570855729.db2.gz IBUDYYWSSQUPLZ-HZGBGQKMSA-N 0 3 360.479 2.803 50 0 FFAAHN c1cc(CN2CCC(OCc3nc(-c4cnccn4)no3)CC2)cs1 ZINC000097076711 571094182 /nfs/dbraw/zinc/09/41/82/571094182.db2.gz KPCQGHLDWBZXSB-UHFFFAOYSA-N 0 3 357.439 2.769 50 0 FFAAHN COc1ccccc1-n1cc(CN2CCC(Cn3ccnc3)CC2)cn1 ZINC000670438592 571347902 /nfs/dbraw/zinc/34/79/02/571347902.db2.gz SHLRJPYKERJEGQ-UHFFFAOYSA-N 0 3 351.454 2.990 50 0 FFAAHN CC(C)c1nc(CCN(C)C(=O)N[C@@H]2CCCN(C3CCCC3)C2)no1 ZINC000670452370 571352625 /nfs/dbraw/zinc/35/26/25/571352625.db2.gz FJSPZYJVKOSRMK-OAHLLOKOSA-N 0 3 363.506 2.784 50 0 FFAAHN COc1ccc2nc(CNC(=O)c3ccc(CN4CCCC4)o3)[nH]c2c1 ZINC000670467784 571359342 /nfs/dbraw/zinc/35/93/42/571359342.db2.gz FWPRRXXASSQEDL-UHFFFAOYSA-N 0 3 354.410 2.690 50 0 FFAAHN CN(C)c1nc(Cl)c(CN2CCN(C3CCCC3)[C@H](CCO)C2)s1 ZINC000039518537 727934870 /nfs/dbraw/zinc/93/48/70/727934870.db2.gz MJYKJGILFCLAKK-CQSZACIVSA-N 0 3 372.966 2.674 50 0 FFAAHN CCN1CCCn2nc([C@@H]3CCCN(Cc4ccccn4)C3)cc2C1=O ZINC000675010760 971485267 /nfs/dbraw/zinc/48/52/67/971485267.db2.gz XIJUQUHHYXKORG-MRXNPFEDSA-N 0 3 353.470 2.524 50 0 FFAAHN CCn1cc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c(C)n1 ZINC000023153480 967198123 /nfs/dbraw/zinc/19/81/23/967198123.db2.gz CXYLORUPXFNFEM-QFIPXVFZSA-N 0 3 370.541 2.713 50 0 FFAAHN O=C(Cc1ccccc1C(F)(F)F)N1CCN(CC2CCOCC2)CC1 ZINC000172464042 985563509 /nfs/dbraw/zinc/56/35/09/985563509.db2.gz FDMKBASWUUYZAH-UHFFFAOYSA-N 0 3 370.415 2.819 50 0 FFAAHN CN1C[C@@H](C(=O)NC2CCN(Cc3cccs3)CC2)Oc2ccccc21 ZINC000827763440 999536866 /nfs/dbraw/zinc/53/68/66/999536866.db2.gz LYNBROPOEDMIEB-IBGZPJMESA-N 0 3 371.506 2.726 50 0 FFAAHN CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccccc1)CC2 ZINC000014959649 1021730535 /nfs/dbraw/zinc/73/05/35/1021730535.db2.gz CREJPOFPELLSMK-SFHVURJKSA-N 0 3 355.486 2.560 50 0 FFAAHN CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCC[C@@H]1CCCN1C ZINC001506411617 1059501955 /nfs/dbraw/zinc/50/19/55/1059501955.db2.gz RQMJXOROEJVXBB-ZDUSSCGKSA-N 0 3 360.907 2.810 50 0 FFAAHN Cc1nn(C)c(C)c1/C=C\C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000096309340 210239143 /nfs/dbraw/zinc/23/91/43/210239143.db2.gz YZQKRZVCYQNGOP-KHPPLWFESA-N 0 3 358.461 2.780 50 0 FFAAHN Cc1ccccc1CNC[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000011933395 210102822 /nfs/dbraw/zinc/10/28/22/210102822.db2.gz QIUOTQNCWDMRMM-OAQYLSRUSA-N 0 3 356.441 2.777 50 0 FFAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1ccc(N2CCCC2)c(Cl)c1 ZINC000299789689 210031393 /nfs/dbraw/zinc/03/13/93/210031393.db2.gz ABLVXUARTIVHKF-WMZOPIPTSA-N 0 3 365.905 2.778 50 0 FFAAHN CN(C)CCN1C(=O)CC[C@H]1CCNC(=O)c1c(Cl)cccc1Cl ZINC000299788665 210031015 /nfs/dbraw/zinc/03/10/15/210031015.db2.gz ZGDDBWIVASPYBF-LBPRGKRZSA-N 0 3 372.296 2.666 50 0 FFAAHN COc1ccc(CCN2C(=O)CC[C@H]2CCNCc2ccccn2)cc1 ZINC000299784760 210026615 /nfs/dbraw/zinc/02/66/15/210026615.db2.gz KSFPIUAONKGDPN-IBGZPJMESA-N 0 3 353.466 2.804 50 0 FFAAHN CN(C)c1cccc(-c2cccc(C(=O)NC[C@@H]3COCCN(C)C3)c2)c1 ZINC000299780312 210025767 /nfs/dbraw/zinc/02/57/67/210025767.db2.gz BXUMIPMYVNAIQD-KRWDZBQOSA-N 0 3 367.493 2.728 50 0 FFAAHN CCc1nc2cc(NC(=O)N3CCCO[C@@H](CN4CCCC4)C3)ccc2[nH]1 ZINC000299779002 210023889 /nfs/dbraw/zinc/02/38/89/210023889.db2.gz RXDNDODVRSUTLQ-INIZCTEOSA-N 0 3 371.485 2.844 50 0 FFAAHN O=C(NCCN1CCCC1)Nc1ccccc1OCCc1ccccn1 ZINC000299758912 210010836 /nfs/dbraw/zinc/01/08/36/210010836.db2.gz LPHQNCCPMSRXMR-UHFFFAOYSA-N 0 3 354.454 2.920 50 0 FFAAHN CCOC(=O)CCCN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000058438373 212010940 /nfs/dbraw/zinc/01/09/40/212010940.db2.gz PHPIJYWFUPRPKH-ZDUSSCGKSA-N 0 3 353.850 2.729 50 0 FFAAHN O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)NC1CCN(C2CC2)CC1 ZINC000058406534 212009253 /nfs/dbraw/zinc/00/92/53/212009253.db2.gz VBFYKOJNKURSSB-OAHLLOKOSA-N 0 3 360.477 2.578 50 0 FFAAHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(SC(F)(F)F)cc1 ZINC000058393308 212007291 /nfs/dbraw/zinc/00/72/91/212007291.db2.gz SUZZUOMXVZVGER-CHWSQXEVSA-N 0 3 360.401 2.892 50 0 FFAAHN CCN1CCC[C@H](NC(=O)c2cccc(CSc3nccn3C)c2)C1 ZINC000058295890 212003828 /nfs/dbraw/zinc/00/38/28/212003828.db2.gz FUNFSDDTRBXQKP-KRWDZBQOSA-N 0 3 358.511 2.927 50 0 FFAAHN Cc1cccc(C(=O)NCC(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000013006666 220052037 /nfs/dbraw/zinc/05/20/37/220052037.db2.gz WCTHZGAMPPDVBJ-UHFFFAOYSA-N 0 3 365.477 2.506 50 0 FFAAHN CCCN1CCN(CCCNc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000022937586 211371454 /nfs/dbraw/zinc/37/14/54/211371454.db2.gz OJKQTHLMAGTQPT-UHFFFAOYSA-N 0 3 359.474 2.575 50 0 FFAAHN O=C(NCc1nc(-c2ccccc2)n[n-]1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000020999648 211304352 /nfs/dbraw/zinc/30/43/52/211304352.db2.gz OMBIWJXHIJCCQF-CYBMUJFWSA-N 0 3 353.451 2.888 50 0 FFAAHN O=C(NCc1n[n-]c(-c2ccccc2)n1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000020999648 211304356 /nfs/dbraw/zinc/30/43/56/211304356.db2.gz OMBIWJXHIJCCQF-CYBMUJFWSA-N 0 3 353.451 2.888 50 0 FFAAHN CN1CCN(CCCNC(=O)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000020726531 211293977 /nfs/dbraw/zinc/29/39/77/211293977.db2.gz ZARCFDMHCXDNPS-UHFFFAOYSA-N 0 3 351.450 2.953 50 0 FFAAHN CC(C)Cc1cc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)n[nH]1 ZINC000019642848 211243699 /nfs/dbraw/zinc/24/36/99/211243699.db2.gz SXVDIZKYNDZGTD-NRFANRHFSA-N 0 3 356.514 2.677 50 0 FFAAHN COc1ccc(CN2CCC[C@H](CN3CCOCC3)C2)c(Cl)c1OC ZINC000093018207 250010948 /nfs/dbraw/zinc/01/09/48/250010948.db2.gz FODNUXIGTGSICE-OAHLLOKOSA-N 0 3 368.905 2.901 50 0 FFAAHN Cc1nonc1C(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2F)C1 ZINC000015077270 211121569 /nfs/dbraw/zinc/12/15/69/211121569.db2.gz BZBKSDVHWNASST-HNNXBMFYSA-N 0 3 360.433 2.544 50 0 FFAAHN CC(C)n1cc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cn1 ZINC000014949683 211106509 /nfs/dbraw/zinc/10/65/09/211106509.db2.gz VTQOMDMVGMIKDV-LJQANCHMSA-N 0 3 362.518 2.751 50 0 FFAAHN Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1ccsc1)C2 ZINC000014540611 211095139 /nfs/dbraw/zinc/09/51/39/211095139.db2.gz MVVFFEFTNFVGSQ-HNNXBMFYSA-N 0 3 358.511 2.755 50 0 FFAAHN COC[C@H](C)N1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCC(C)C ZINC000014542286 211094513 /nfs/dbraw/zinc/09/45/13/211094513.db2.gz GNOKDWNNFGDGLE-INIZCTEOSA-N 0 3 353.507 2.575 50 0 FFAAHN CCOC(=O)c1ccc(OC[C@H](O)CN(C)Cc2cccc(F)c2)cc1 ZINC000014200886 211085791 /nfs/dbraw/zinc/08/57/91/211085791.db2.gz KFPMYAYUZSSLQV-GOSISDBHSA-N 0 3 361.413 2.874 50 0 FFAAHN COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@H](C)C2)cc1C ZINC000013648271 211047041 /nfs/dbraw/zinc/04/70/41/211047041.db2.gz ORHAKAAOTKMOJM-GASCZTMLSA-N 0 3 354.516 2.650 50 0 FFAAHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccncc1)c1cccc2ccccc21 ZINC000010333678 210357902 /nfs/dbraw/zinc/35/79/02/210357902.db2.gz KDRCRGGEIPMHQQ-IBGZPJMESA-N 0 3 362.433 2.592 50 0 FFAAHN Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCCN1CCCC[C@@H]1C ZINC000065329710 221200001 /nfs/dbraw/zinc/20/00/01/221200001.db2.gz QJKZXRWZAHYKBS-AWEZNQCLSA-N 0 3 374.485 2.558 50 0 FFAAHN CCn1c(=O)[nH]nc1C1CCN(Cc2ccc([C@H]3CCCO3)s2)CC1 ZINC000065388198 221210095 /nfs/dbraw/zinc/21/00/95/221210095.db2.gz SXZWWLUGGMBDPY-OAHLLOKOSA-N 0 3 362.499 2.884 50 0 FFAAHN CC[C@H]1CN(CCn2cc(CNCc3ccccc3C)c(C)n2)CCO1 ZINC000065526544 221230010 /nfs/dbraw/zinc/23/00/10/221230010.db2.gz VQVGATPHNREZTF-NRFANRHFSA-N 0 3 356.514 2.901 50 0 FFAAHN CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(NCCN(C)C)nc2)C1 ZINC000067649734 221265308 /nfs/dbraw/zinc/26/53/08/221265308.db2.gz PYZDMDNYIHBZOB-KRWDZBQOSA-N 0 3 360.502 2.523 50 0 FFAAHN Cc1ccccc1-n1cccc1CN1CCC2(CC1)C(=O)NCCCN2C ZINC000067559023 221259719 /nfs/dbraw/zinc/25/97/19/221259719.db2.gz ADLGEKZNFRUKEW-UHFFFAOYSA-N 0 3 366.509 2.572 50 0 FFAAHN C[C@H](Cc1ccccn1)N(C)Cc1cccc(C(=O)Nc2cn(C)nn2)c1 ZINC000067803123 221287093 /nfs/dbraw/zinc/28/70/93/221287093.db2.gz VNWIBICYQHNZBR-OAHLLOKOSA-N 0 3 364.453 2.525 50 0 FFAAHN CCn1c(=O)n(C)nc1C1CCN(Cc2cc(C)n(C(C)C)c2C)CC1 ZINC000067872530 221298896 /nfs/dbraw/zinc/29/88/96/221298896.db2.gz HMMABBJIFSWYDO-UHFFFAOYSA-N 0 3 359.518 2.981 50 0 FFAAHN Cn1c(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)cc2c1cccc2Cl ZINC000067934584 221306505 /nfs/dbraw/zinc/30/65/05/221306505.db2.gz FIWQNTBNLLVRNT-UHFFFAOYSA-N 0 3 374.916 2.684 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N(C)Cc3ccsc3)cnn2c1 ZINC000067946652 221306980 /nfs/dbraw/zinc/30/69/80/221306980.db2.gz BWLFENHGSZSBTO-UHFFFAOYSA-N 0 3 357.483 2.905 50 0 FFAAHN O=C1N(CCCc2ccccc2)CCC[C@]1(O)CNCc1ccsc1 ZINC000071278946 221336940 /nfs/dbraw/zinc/33/69/40/221336940.db2.gz BWQVVYNROWXUBS-FQEVSTJZSA-N 0 3 358.507 2.824 50 0 FFAAHN O=C(c1n[nH]cc1Cl)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071388780 221345069 /nfs/dbraw/zinc/34/50/69/221345069.db2.gz WWNDIGPSASRLOA-ZTFGCOKTSA-N 0 3 356.857 2.766 50 0 FFAAHN O=C(c1cc(C2CC2)n[nH]1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071524275 221350249 /nfs/dbraw/zinc/35/02/49/221350249.db2.gz DXLPNPVVRJHDQK-IOMROCGXSA-N 0 3 362.477 2.990 50 0 FFAAHN CNS(=O)(=O)c1ccc(CN(C)Cc2cccc3cnccc32)cc1 ZINC000071752253 221364391 /nfs/dbraw/zinc/36/43/91/221364391.db2.gz JVXJUEZWUJUWBI-UHFFFAOYSA-N 0 3 355.463 2.775 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)c3cccnc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071708125 221355175 /nfs/dbraw/zinc/35/51/75/221355175.db2.gz IHGUJXJZKIWPII-PWRODBHTSA-N 0 3 363.461 2.793 50 0 FFAAHN Cc1cccc(N2CCN(CCC(=O)NCCc3cccs3)CC2)c1 ZINC000095364303 132207978 /nfs/dbraw/zinc/20/79/78/132207978.db2.gz QSTFBBQNMLXHPR-UHFFFAOYSA-N 0 3 357.523 2.928 50 0 FFAAHN Cc1cc(N2CCC(NCc3nccs3)CC2)nc(N2CCCC2)n1 ZINC000095510427 132213342 /nfs/dbraw/zinc/21/33/42/132213342.db2.gz CBGVGQUJCULMTM-UHFFFAOYSA-N 0 3 358.515 2.600 50 0 FFAAHN O=C(c1cc(-n2cccn2)ccc1Cl)N1CCN(c2ccncc2)CC1 ZINC000215255014 132269906 /nfs/dbraw/zinc/26/99/06/132269906.db2.gz AIBPXYNLWHXNCK-UHFFFAOYSA-N 0 3 367.840 2.883 50 0 FFAAHN O=C(NCCN1CC[C@@H](c2ccccc2)C1)Nc1ccc2c(c1)CC(=O)N2 ZINC000095519830 221943898 /nfs/dbraw/zinc/94/38/98/221943898.db2.gz GKOORLFCOFGNGN-MRXNPFEDSA-N 0 3 364.449 2.792 50 0 FFAAHN CSCC[C@@H](O)c1nc(CC2CCN(C)CC2)nn1CC(F)(F)F ZINC000096132642 222038573 /nfs/dbraw/zinc/03/85/73/222038573.db2.gz CEYJLNNTWVIYRC-GFCCVEGCSA-N 0 3 366.453 2.511 50 0 FFAAHN Cc1n[nH]c(C)c1CCC(=O)NCCN1CC[C@H](c2ccccc2C)C1 ZINC000096136215 222039144 /nfs/dbraw/zinc/03/91/44/222039144.db2.gz YTYNASVOBYYGQQ-SFHVURJKSA-N 0 3 354.498 2.873 50 0 FFAAHN CN(CCc1nc(-c2ccccc2)nn1CC(F)(F)F)[C@@H]1CCN(C)C1 ZINC000096141303 222045919 /nfs/dbraw/zinc/04/59/19/222045919.db2.gz XXNDWTHGJBGTMZ-OAHLLOKOSA-N 0 3 367.419 2.686 50 0 FFAAHN COc1cc(-c2nnc(SC[C@@H]3CCN(C)C3)o2)cc(OC)c1OC ZINC000097165087 222165504 /nfs/dbraw/zinc/16/55/04/222165504.db2.gz CRCJSLDIVBYPNT-LLVKDONJSA-N 0 3 365.455 2.806 50 0 FFAAHN OC[C@@H]1CN(Cc2ccsc2)CCC12CCN(Cc1ncc[nH]1)CC2 ZINC000097347517 222175579 /nfs/dbraw/zinc/17/55/79/222175579.db2.gz NSNOKIUANUENQI-KRWDZBQOSA-N 0 3 360.527 2.568 50 0 FFAAHN C[C@@H](CCNC(=O)c1cccc(-c2ccc(O)cc2)c1)N1CCN(C)CC1 ZINC000097492411 222184332 /nfs/dbraw/zinc/18/43/32/222184332.db2.gz TWVUUHPOZIPESU-KRWDZBQOSA-N 0 3 367.493 2.815 50 0 FFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)OC12CCCC2 ZINC000097475632 222184813 /nfs/dbraw/zinc/18/48/13/222184813.db2.gz FKFOFRLTTWKONR-SFHVURJKSA-N 0 3 356.466 2.643 50 0 FFAAHN COc1ccc(CN2CCN(C3Cc4ccccc4C3)CC2)c(OC)c1 ZINC000097729709 222209114 /nfs/dbraw/zinc/20/91/14/222209114.db2.gz SEZAVPDTLZAFEJ-UHFFFAOYSA-N 0 3 352.478 2.989 50 0 FFAAHN COc1cccc2ccc(CN3CCN(CC(C)C)[C@H](CCO)C3)nc21 ZINC000104415243 222358095 /nfs/dbraw/zinc/35/80/95/222358095.db2.gz SWCVHGGKKZTHJE-LJQANCHMSA-N 0 3 357.498 2.768 50 0 FFAAHN COC(=O)c1ccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)cc1 ZINC000036385634 506404475 /nfs/dbraw/zinc/40/44/75/506404475.db2.gz RUZGXZYPKSIOKL-HXUWFJFHSA-N 0 3 360.498 2.675 50 0 FFAAHN CCN(CC)[C@@H](CNC(=O)C1CCN(C(C)=O)CC1)c1ccsc1 ZINC000040089501 506464601 /nfs/dbraw/zinc/46/46/01/506464601.db2.gz RVKWUUYNNIPXRF-KRWDZBQOSA-N 0 3 351.516 2.506 50 0 FFAAHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1ccc(-c2n[nH]c(C)c2C)s1 ZINC000040267790 506480150 /nfs/dbraw/zinc/48/01/50/506480150.db2.gz PWYSOJNGJLNORO-UHFFFAOYSA-N 0 3 370.544 2.765 50 0 FFAAHN NC(=O)CNC(=O)c1ccc(CNCc2cccc(-c3ccccc3)c2)cc1 ZINC000054175658 506507297 /nfs/dbraw/zinc/50/72/97/506507297.db2.gz YTZWTKRDPYUNQB-UHFFFAOYSA-N 0 3 373.456 2.859 50 0 FFAAHN O=C(c1cccc(C(F)(F)F)c1)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008973155 506675841 /nfs/dbraw/zinc/67/58/41/506675841.db2.gz ZLTZKLJABFSTLL-UHFFFAOYSA-N 0 3 364.371 2.706 50 0 FFAAHN Cc1cc(C(=O)N(CCc2ccccc2)C[C@H]2CCCN(C)C2)nn1C ZINC000011874218 506800920 /nfs/dbraw/zinc/80/09/20/506800920.db2.gz WRTSVFYPOAQVHO-IBGZPJMESA-N 0 3 354.498 2.755 50 0 FFAAHN Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCN(CC(C)C)CC2 ZINC000011974988 506806139 /nfs/dbraw/zinc/80/61/39/506806139.db2.gz AHQJWAJOTBTSOE-INIZCTEOSA-N 0 3 355.486 2.592 50 0 FFAAHN COc1ccc(OC)c(COC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000012420231 506861401 /nfs/dbraw/zinc/86/14/01/506861401.db2.gz RDCSYYLARFPFDE-LJQANCHMSA-N 0 3 357.450 2.640 50 0 FFAAHN COc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)cc1Cl ZINC000012441466 506863287 /nfs/dbraw/zinc/86/32/87/506863287.db2.gz JPBLJIOABZZWKX-UHFFFAOYSA-N 0 3 360.907 2.747 50 0 FFAAHN CN(C(=O)CCN1CCCCO1)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000012589414 506881636 /nfs/dbraw/zinc/88/16/36/506881636.db2.gz LMFZWFPEHKJBLA-OAQYLSRUSA-N 0 3 373.541 2.960 50 0 FFAAHN CN(C(=O)CCCn1cncn1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000012591972 506881801 /nfs/dbraw/zinc/88/18/01/506881801.db2.gz ZEVFFJYJQILNGJ-FQEVSTJZSA-N 0 3 369.513 2.614 50 0 FFAAHN O=C(CN1CCCCCC1)N1CCC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000012590052 506882449 /nfs/dbraw/zinc/88/24/49/506882449.db2.gz VQGWMKBPDBXYNO-OAQYLSRUSA-N 0 3 362.489 2.845 50 0 FFAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3cccs3)CC2)n1 ZINC000021793745 507266078 /nfs/dbraw/zinc/26/60/78/507266078.db2.gz XZHYFSAQLSQBKC-UHFFFAOYSA-N 0 3 371.510 2.799 50 0 FFAAHN O=C(NCC1CCN(Cc2cccs2)CC1)C(=O)NC1CCCCC1 ZINC000023127514 507331980 /nfs/dbraw/zinc/33/19/80/507331980.db2.gz HBRPJPQUJHEHRE-UHFFFAOYSA-N 0 3 363.527 2.525 50 0 FFAAHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C[C@@H](O)COc1ccccc1 ZINC000025233958 507477962 /nfs/dbraw/zinc/47/79/62/507477962.db2.gz CIDGMBODUSHFJI-QFBILLFUSA-N 0 3 352.438 2.700 50 0 FFAAHN Cc1cccc(CNCc2cccc(NC(=O)CCN3CCOCC3)c2)c1 ZINC000048778053 507563976 /nfs/dbraw/zinc/56/39/76/507563976.db2.gz AZSGEFQGOXQLPK-UHFFFAOYSA-N 0 3 367.493 2.946 50 0 FFAAHN CC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000071889335 507723195 /nfs/dbraw/zinc/72/31/95/507723195.db2.gz ABMVPSQSMKPDBW-FQEVSTJZSA-N 0 3 357.498 2.789 50 0 FFAAHN Cc1nc(C2CCN(Cc3cnc(-c4ccccn4)nc3)CC2)cc(=O)[nH]1 ZINC000072126512 507752171 /nfs/dbraw/zinc/75/21/71/507752171.db2.gz DCKMJLDMGPXYQV-UHFFFAOYSA-N 0 3 362.437 2.722 50 0 FFAAHN CCc1nc(CN2C[C@H](c3cccc(OC)c3)[C@@H]3[C@H]2C2CCN3CC2)no1 ZINC000072127079 507752199 /nfs/dbraw/zinc/75/21/99/507752199.db2.gz UQDRUOJFZJDFCG-DUXKGJEZSA-N 0 3 368.481 2.703 50 0 FFAAHN Cc1nc([C@H]2CCC[N@H+](Cc3ccccc3Cn3cccn3)C2)cc(=O)[n-]1 ZINC000072143704 507757174 /nfs/dbraw/zinc/75/71/74/507757174.db2.gz HFAPBXIDSYPGCM-IBGZPJMESA-N 0 3 363.465 2.703 50 0 FFAAHN Cc1nc([C@H]2CCC[N@@H+](Cc3ccccc3Cn3cccn3)C2)cc(=O)[n-]1 ZINC000072143704 507757177 /nfs/dbraw/zinc/75/71/77/507757177.db2.gz HFAPBXIDSYPGCM-IBGZPJMESA-N 0 3 363.465 2.703 50 0 FFAAHN CN(C)Cc1ccccc1CN(C)c1nc(-c2cccnc2)nc2c1CNC2 ZINC000072162993 507765874 /nfs/dbraw/zinc/76/58/74/507765874.db2.gz QBVPYFMORQTETB-UHFFFAOYSA-N 0 3 374.492 2.840 50 0 FFAAHN OC[C@@H]1CCCN(CCNc2cc(-c3ccccc3)nc3ccnn32)C1 ZINC000072433188 507790834 /nfs/dbraw/zinc/79/08/34/507790834.db2.gz BHEBXPZMTYSREX-MRXNPFEDSA-N 0 3 351.454 2.513 50 0 FFAAHN CCc1ncc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cn1 ZINC000072436639 507791230 /nfs/dbraw/zinc/79/12/30/507791230.db2.gz GEWIWRRCSUMBDZ-UHFFFAOYSA-N 0 3 354.498 2.766 50 0 FFAAHN Cc1ccccc1CSCCNC(=O)CCc1cc2n(n1)CCCNC2 ZINC000072439071 507792449 /nfs/dbraw/zinc/79/24/49/507792449.db2.gz WYHJHPYHGRNQMY-UHFFFAOYSA-N 0 3 372.538 2.667 50 0 FFAAHN Cc1ccc(-c2cc(C(=O)NCc3c(C)ncc4c3CCNC4)[nH]n2)s1 ZINC000072456611 507793700 /nfs/dbraw/zinc/79/37/00/507793700.db2.gz GFOVQUQYTGUZBC-UHFFFAOYSA-N 0 3 367.478 2.726 50 0 FFAAHN O=C(Cc1cccc(O)c1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072458971 507794213 /nfs/dbraw/zinc/79/42/13/507794213.db2.gz HXTPQZHBJALMEF-UHFFFAOYSA-N 0 3 350.462 2.984 50 0 FFAAHN C[C@H](NCc1cccc(-c2cnn(C)c2)c1)c1ccc(-n2cnnn2)cc1 ZINC000090920192 507940101 /nfs/dbraw/zinc/94/01/01/507940101.db2.gz DVXHVYJZBUGVFD-HNNXBMFYSA-N 0 3 359.437 2.914 50 0 FFAAHN OCCC[C@@H]1CN(Cc2ccc(Cl)s2)CC[C@@H]1N1CCOCC1 ZINC000091326692 507980768 /nfs/dbraw/zinc/98/07/68/507980768.db2.gz DOXQWWGMNSQCOT-ZBFHGGJFSA-N 0 3 358.935 2.697 50 0 FFAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(C)nc1)CC2 ZINC000091602865 507995930 /nfs/dbraw/zinc/99/59/30/507995930.db2.gz SJCJWMBNFUNIJK-UHFFFAOYSA-N 0 3 367.497 2.903 50 0 FFAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1C[C@H]2CC[C@@H]1CN(C)C2 ZINC000091625973 507997876 /nfs/dbraw/zinc/99/78/76/507997876.db2.gz HLCUKQRMEXCTRC-MAUKXSAKSA-N 0 3 356.445 2.794 50 0 FFAAHN c1cc2c(ncnc2NCc2cc3n(n2)CCN(C2CCCCC2)C3)[nH]1 ZINC000091677212 508001816 /nfs/dbraw/zinc/00/18/16/508001816.db2.gz TYNYEOLPLZEDNA-UHFFFAOYSA-N 0 3 351.458 2.915 50 0 FFAAHN CC(C)Oc1ccc(CN2CCC3(CCC(=O)N(CCO)C3)CC2)cc1 ZINC000091877077 508021682 /nfs/dbraw/zinc/02/16/82/508021682.db2.gz WTNTYAYLDSTPFX-UHFFFAOYSA-N 0 3 360.498 2.671 50 0 FFAAHN FC(F)(F)COc1cccc(CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000075104997 508083519 /nfs/dbraw/zinc/08/35/19/508083519.db2.gz LHOSMTBMIXNJAO-INIZCTEOSA-N 0 3 358.404 2.782 50 0 FFAAHN O=C(NCc1cc(-c2ccccn2)no1)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095355442 508174495 /nfs/dbraw/zinc/17/44/95/508174495.db2.gz DNUMIPOUWWHOSZ-HNNXBMFYSA-N 0 3 366.421 2.858 50 0 FFAAHN Cc1c(F)cccc1CN1CC[C@@]2(O)CCN(C(=O)C3CCC3)C[C@H]2C1 ZINC000095377337 508179951 /nfs/dbraw/zinc/17/99/51/508179951.db2.gz IGADJMOJEYEDKS-WIYYLYMNSA-N 0 3 360.473 2.720 50 0 FFAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)NCCc2ccccc2)C1 ZINC000095379466 508180696 /nfs/dbraw/zinc/18/06/96/508180696.db2.gz KPTRPAWHSLURED-LJQANCHMSA-N 0 3 369.513 2.576 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)Cc1csc(-c2cccc(OC)c2)n1 ZINC000095475793 508188605 /nfs/dbraw/zinc/18/86/05/508188605.db2.gz ISZFOYJSGLXODO-MRXNPFEDSA-N 0 3 359.495 2.962 50 0 FFAAHN CCOc1ccccc1OCCN1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 ZINC000095510536 508192480 /nfs/dbraw/zinc/19/24/80/508192480.db2.gz LJVOHMSSSWHYPK-XMSQKQJNSA-N 0 3 369.461 2.935 50 0 FFAAHN CCn1ncnc1[C@H](C)NC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000095511844 508193497 /nfs/dbraw/zinc/19/34/97/508193497.db2.gz JEFKWVIOYMMIFQ-AWEZNQCLSA-N 0 3 372.473 2.654 50 0 FFAAHN COc1ccc(NC(C)=O)cc1NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000095526693 508196103 /nfs/dbraw/zinc/19/61/03/508196103.db2.gz BDNWCVZDYVPJBL-MRXNPFEDSA-N 0 3 360.458 2.746 50 0 FFAAHN Cc1ccc(C(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)c([O-])c1 ZINC000095527256 508196158 /nfs/dbraw/zinc/19/61/58/508196158.db2.gz RMVFSFKQSPUKRG-KRWDZBQOSA-N 0 3 370.497 2.869 50 0 FFAAHN CS[C@H]1CN(C(=O)Nc2cccc(-c3noc(C)n3)c2)C[C@@H]1N(C)C ZINC000095996517 508200876 /nfs/dbraw/zinc/20/08/76/508200876.db2.gz NTTMPAYMUAXCMN-GJZGRUSLSA-N 0 3 361.471 2.554 50 0 FFAAHN CN(C)CCN(Cc1cc(=O)c2cccc(Cl)c2[nH]1)C[C@H]1CCCO1 ZINC000077319191 508300139 /nfs/dbraw/zinc/30/01/39/508300139.db2.gz PTEUVAOLQDQZFH-OAHLLOKOSA-N 0 3 363.889 2.724 50 0 FFAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)CCCN2CCOCC2)cc1 ZINC000077392487 508310273 /nfs/dbraw/zinc/31/02/73/508310273.db2.gz WSPXPNBKICUTOC-NRFANRHFSA-N 0 3 373.541 2.914 50 0 FFAAHN CS(=O)(=O)NC1CCN(CC(c2ccccc2)c2ccccc2)CC1 ZINC000077406945 508311708 /nfs/dbraw/zinc/31/17/08/508311708.db2.gz RTMUMXCCSDGXCQ-UHFFFAOYSA-N 0 3 358.507 2.832 50 0 FFAAHN CCc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCCOC)C3)C2)nc1 ZINC000077453330 508318712 /nfs/dbraw/zinc/31/87/12/508318712.db2.gz IVQUWJCDSHFJSL-OAQYLSRUSA-N 0 3 359.514 2.885 50 0 FFAAHN c1cnn(Cc2ccccc2CN2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000077471960 508320628 /nfs/dbraw/zinc/32/06/28/508320628.db2.gz IURCHSIRQBCKNG-OAQYLSRUSA-N 0 3 354.498 2.618 50 0 FFAAHN CCc1ccc2nc(C)cc(C(=O)NCCN3CCC[C@H](CO)C3)c2c1 ZINC000077504739 508325196 /nfs/dbraw/zinc/32/51/96/508325196.db2.gz ICQAPAQQFIHCPW-KRWDZBQOSA-N 0 3 355.482 2.540 50 0 FFAAHN CN(C)C[C@H]1CN(C(=O)Nc2ccc(OC3CCC3)c(F)c2)CCO1 ZINC000120805588 509068358 /nfs/dbraw/zinc/06/83/58/509068358.db2.gz ICIWUXLWLRGBHQ-HNNXBMFYSA-N 0 3 351.422 2.551 50 0 FFAAHN Cc1nc(C2CCN(Cc3ccccc3OCCn3ccnc3)CC2)n[nH]1 ZINC000215127534 509244249 /nfs/dbraw/zinc/24/42/49/509244249.db2.gz ISPLJPCBUBTBFY-UHFFFAOYSA-N 0 3 366.469 2.768 50 0 FFAAHN Cc1n[nH]c(C2CCN(Cc3ccccc3OCCn3ccnc3)CC2)n1 ZINC000215127534 509244258 /nfs/dbraw/zinc/24/42/58/509244258.db2.gz ISPLJPCBUBTBFY-UHFFFAOYSA-N 0 3 366.469 2.768 50 0 FFAAHN CN1CCN2CCN(Cc3ccccc3OCc3ccccc3)C[C@@H]2C1 ZINC000215700029 509251499 /nfs/dbraw/zinc/25/14/99/509251499.db2.gz VMCOBNFWJVQFFZ-NRFANRHFSA-N 0 3 351.494 2.697 50 0 FFAAHN COc1c(CNCc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)c(C)nn1C ZINC000237204105 509592665 /nfs/dbraw/zinc/59/26/65/509592665.db2.gz MZCFWHDMTSEPSZ-IYBDPMFKSA-N 0 3 372.513 2.636 50 0 FFAAHN CC[C@@H]1[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)C2ON1c1ccccc1 ZINC000170593107 509673490 /nfs/dbraw/zinc/67/34/90/509673490.db2.gz AJCJNWXPVDJBKE-KZNAEPCWSA-N 0 3 352.390 2.784 50 0 FFAAHN CC1(C)CN(CC(=O)NC2CCN(C3CC3)CC2)CC[C@H]1C(F)(F)F ZINC000252503673 509845657 /nfs/dbraw/zinc/84/56/57/509845657.db2.gz VFMNFXOMACHJRD-OAHLLOKOSA-N 0 3 361.452 2.640 50 0 FFAAHN CCn1cnnc1[C@@H](C)NC(=O)CC1CCN(Cc2ccccc2)CC1 ZINC000244724464 509867407 /nfs/dbraw/zinc/86/74/07/509867407.db2.gz MUQXYCOFWSLEPM-MRXNPFEDSA-N 0 3 355.486 2.778 50 0 FFAAHN CN1C[C@]2(CCCN(Cc3ccc4c5c3cccc5C(=O)OC4)C2)OC1=O ZINC000244794837 509871888 /nfs/dbraw/zinc/87/18/88/509871888.db2.gz QUXIOHCEUPMTKU-NRFANRHFSA-N 0 3 366.417 2.927 50 0 FFAAHN CCOc1ccc(-c2n[nH]cc2C[N@@H+]2CCc3nc[n-]c(=O)c3CC2)cc1 ZINC000257177926 509946693 /nfs/dbraw/zinc/94/66/93/509946693.db2.gz YLAPGBCWMZZKKP-UHFFFAOYSA-N 0 3 365.437 2.572 50 0 FFAAHN CCOc1ccc(-c2n[nH]cc2C[N@H+]2CCc3nc[n-]c(=O)c3CC2)cc1 ZINC000257177926 509946699 /nfs/dbraw/zinc/94/66/99/509946699.db2.gz YLAPGBCWMZZKKP-UHFFFAOYSA-N 0 3 365.437 2.572 50 0 FFAAHN O=C1N[C@@H]2CCCC[C@H]2CC1S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000333812473 511363554 /nfs/dbraw/zinc/36/35/54/511363554.db2.gz IHWDJOFAKVHJGM-YOMYCBHVSA-N 0 3 367.433 2.970 50 0 FFAAHN COc1cc([C@H](C)NCCC2(O)CCC2)ccc1S(=O)(=O)C(F)F ZINC000284508614 511750962 /nfs/dbraw/zinc/75/09/62/511750962.db2.gz YDRSEWZLRBDVBO-NSHDSACASA-N 0 3 363.426 2.647 50 0 FFAAHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc2c(c1)CCN2C(=O)C(C)(C)C ZINC000371931944 512640141 /nfs/dbraw/zinc/64/01/41/512640141.db2.gz PWXWYQWGNXUHSN-KBXCAEBGSA-N 0 3 369.509 2.834 50 0 FFAAHN O=C(NC1CCN(Cc2cccs2)CC1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000368803334 513109124 /nfs/dbraw/zinc/10/91/24/513109124.db2.gz XCDUGGUHJHHJEE-QGZVFWFLSA-N 0 3 369.490 2.955 50 0 FFAAHN CC(C)Oc1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)nn1 ZINC000426387237 513925506 /nfs/dbraw/zinc/92/55/06/513925506.db2.gz IVWWWQNKBVGPLD-UHFFFAOYSA-N 0 3 354.454 2.756 50 0 FFAAHN Cc1cc(OC(F)F)ccc1NC(=O)N1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000426504637 513962998 /nfs/dbraw/zinc/96/29/98/513962998.db2.gz RPPXDPWAACPGAB-HOTGVXAUSA-N 0 3 369.412 2.659 50 0 FFAAHN O=C(NCCc1cccs1)N1CCCO[C@H](CN2CCCCC2)C1 ZINC000426550345 513977494 /nfs/dbraw/zinc/97/74/94/513977494.db2.gz BQTIDADKWPJQFO-MRXNPFEDSA-N 0 3 351.516 2.577 50 0 FFAAHN OCCn1ccc([C@@H]2CCCN(Cc3cnc(-c4cccs4)nc3)C2)n1 ZINC000426584626 513987052 /nfs/dbraw/zinc/98/70/52/513987052.db2.gz FRRZYAYMAKVLBS-MRXNPFEDSA-N 0 3 369.494 2.774 50 0 FFAAHN CN(C)CCn1ccnc1C1CCN(C(=O)c2cccc(N(C)C)c2)CC1 ZINC000091536925 521823098 /nfs/dbraw/zinc/82/30/98/521823098.db2.gz WQVPHEGOBGEGQZ-UHFFFAOYSA-N 0 3 369.513 2.531 50 0 FFAAHN CCc1nc(C)ccc1OCc1nc(-c2c(C)ncc3c2CCNC3)no1 ZINC000020779632 522241795 /nfs/dbraw/zinc/24/17/95/522241795.db2.gz QMCBAOISBXJMFP-UHFFFAOYSA-N 0 3 365.437 2.931 50 0 FFAAHN COc1cc(CNCCN2CCOCC2)ccc1OCc1ccccc1F ZINC000019872206 522451948 /nfs/dbraw/zinc/45/19/48/522451948.db2.gz JKXOMJXVSNTCGP-UHFFFAOYSA-N 0 3 374.456 2.835 50 0 FFAAHN COCCN1CCC[C@@]2(CCN(C/C=C/c3ccccc3OC)C2)C1=O ZINC000091473911 523828855 /nfs/dbraw/zinc/82/88/55/523828855.db2.gz JOXYYHZBJRLNPC-FERLCFGISA-N 0 3 358.482 2.669 50 0 FFAAHN Cc1cc(C(=O)NCc2cc3n(n2)CCCNC3)c(-c2ccccc2)o1 ZINC000082091700 524103846 /nfs/dbraw/zinc/10/38/46/524103846.db2.gz YSCRGUMBXIRMGZ-UHFFFAOYSA-N 0 3 350.422 2.875 50 0 FFAAHN Cc1ccc(CN2CCC(c3nnc(Cn4cccn4)n3C)CC2)s1 ZINC000091536715 524440457 /nfs/dbraw/zinc/44/04/57/524440457.db2.gz KCKFQZHEEBTUBB-UHFFFAOYSA-N 0 3 356.499 2.809 50 0 FFAAHN Cc1ccc([C@H]2CN(C(=O)c3c[nH]nc3-c3cccc(F)c3)C[C@@H]2N)o1 ZINC000091624564 526021385 /nfs/dbraw/zinc/02/13/85/526021385.db2.gz OKOWJSOGZVNOEQ-HOTGVXAUSA-N 0 3 354.385 2.684 50 0 FFAAHN Cc1cnn(CCC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)c1 ZINC000091679187 526259881 /nfs/dbraw/zinc/25/98/81/526259881.db2.gz MYFRCFVLAARDCU-VQTJNVASSA-N 0 3 352.482 2.705 50 0 FFAAHN Cc1nnc(NC(=O)c2cnn(CCN(C)C)c2-c2ccccc2)s1 ZINC000278761354 526368734 /nfs/dbraw/zinc/36/87/34/526368734.db2.gz WJWZSHUWQDUEIZ-UHFFFAOYSA-N 0 3 356.455 2.524 50 0 FFAAHN O=C(CCc1nc2cccnc2[nH]1)NC1CCN(Cc2ccccc2)CC1 ZINC000079489600 526655307 /nfs/dbraw/zinc/65/53/07/526655307.db2.gz LUPSJRHJOMGVGS-UHFFFAOYSA-N 0 3 363.465 2.671 50 0 FFAAHN CCOc1ccc(CN2CCC(c3ncc(C)n3CCO)CC2)cc1OC ZINC000675022381 971505613 /nfs/dbraw/zinc/50/56/13/971505613.db2.gz ZFJBLJICKNQDBG-UHFFFAOYSA-N 0 3 373.497 2.971 50 0 FFAAHN O=C1[C@H]2CN(Cc3ccccc3Cl)C[C@H]2C(=O)N1CCc1ccccc1 ZINC000169749043 984950376 /nfs/dbraw/zinc/95/03/76/984950376.db2.gz LFJYXZSQNOAPBR-HDICACEKSA-N 0 3 368.864 3.000 50 0 FFAAHN O=C(Nc1ccccc1)N1CCC2(CC1)C[C@@H](N1CCOCC1)CCO2 ZINC000169773909 984960744 /nfs/dbraw/zinc/96/07/44/984960744.db2.gz BAQSKXJWLWHEGP-SFHVURJKSA-N 0 3 359.470 2.564 50 0 FFAAHN CC(C)C(=O)Nc1ccc(NC(=O)CN2CCCN(C)CC2)cc1Cl ZINC000823778409 999078090 /nfs/dbraw/zinc/07/80/90/999078090.db2.gz XPXWLMCLIQLMQF-UHFFFAOYSA-N 0 3 366.893 2.511 50 0 FFAAHN COc1ccc(Cc2nc([C@@]3(C)CCN(C)C3)n(-c3ccncc3)n2)cc1 ZINC000824674418 999245516 /nfs/dbraw/zinc/24/55/16/999245516.db2.gz CTPOHMNQFDBYHT-NRFANRHFSA-N 0 3 363.465 2.855 50 0 FFAAHN CC(C)c1cc(C(=O)NC[C@@H]2CCN(Cc3ccccc3F)C2)nc(N)n1 ZINC000952977476 1011021191 /nfs/dbraw/zinc/02/11/91/1011021191.db2.gz IKGIDRHUVVAGBV-AWEZNQCLSA-N 0 3 371.460 2.573 50 0 FFAAHN O=C(c1ccoc1)N1CCCN(C2CCN(Cc3ccco3)CC2)CC1 ZINC001506400120 1059491962 /nfs/dbraw/zinc/49/19/62/1059491962.db2.gz UADHBFWEUAEJKI-UHFFFAOYSA-N 0 3 357.454 2.685 50 0 FFAAHN Cc1ccc(NC2(C(=O)N3C[C@H](O)[C@@H](N4CCCC4)C3)CCCCC2)cc1 ZINC001506400901 1059494553 /nfs/dbraw/zinc/49/45/53/1059494553.db2.gz HEKLIGFIWJGTAD-PMACEKPBSA-N 0 3 371.525 2.777 50 0 FFAAHN CCc1nc(C)c(CN2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)[nH]1 ZINC001529174343 1062203179 /nfs/dbraw/zinc/20/31/79/1062203179.db2.gz UGPPXNSIHWBNML-OXQOHEQNSA-N 0 3 350.466 2.864 50 0 FFAAHN Cc1cn2c(nc(CN3CCCN(Cc4cccs4)CC3)cc2=O)s1 ZINC001529187342 1062210106 /nfs/dbraw/zinc/21/01/06/1062210106.db2.gz RYEPDUCYPMSRMW-UHFFFAOYSA-N 0 3 374.535 2.834 50 0 FFAAHN COc1ccc([C@H]2SCC(=O)N2CCN2CCCCC2)cc1OC ZINC000000717324 210265791 /nfs/dbraw/zinc/26/57/91/210265791.db2.gz UMDIHOOKNDQYIW-GOSISDBHSA-N 0 3 350.484 2.764 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000245257215 210211333 /nfs/dbraw/zinc/21/13/33/210211333.db2.gz XBVODWZAVJNKIW-ULQDDVLXSA-N 0 3 367.534 2.918 50 0 FFAAHN COc1cc(Cl)c(C)cc1NC(=O)NCC[C@H](C)N1CCN(C)CC1 ZINC000299787115 210029796 /nfs/dbraw/zinc/02/97/96/210029796.db2.gz OYIXIQFWVMUZCY-AWEZNQCLSA-N 0 3 368.909 2.805 50 0 FFAAHN COCCN1CCC[C@H](CN(C)C(=O)Nc2ccnn2-c2ccccc2)C1 ZINC000299783281 210026821 /nfs/dbraw/zinc/02/68/21/210026821.db2.gz XZIGPFVKTDBFBW-QGZVFWFLSA-N 0 3 371.485 2.694 50 0 FFAAHN CC1CCN(C(=O)c2cccc(NC(=O)N3CCN4CCC[C@H]4C3)c2)CC1 ZINC000299776858 210023145 /nfs/dbraw/zinc/02/31/45/210023145.db2.gz DQBZNLGEWFWWKF-IBGZPJMESA-N 0 3 370.497 2.871 50 0 FFAAHN CCCn1c2cc(C)ccc2cc(CNCCCN2CCOCC2)c1=O ZINC000299770277 210017265 /nfs/dbraw/zinc/01/72/65/210017265.db2.gz OYWNFHWWZRWOPR-UHFFFAOYSA-N 0 3 357.498 2.532 50 0 FFAAHN Cc1ccc2nc(CN3CCC(N4CCSCC4)CC3)nc(N)c2c1 ZINC000299761206 210012067 /nfs/dbraw/zinc/01/20/67/210012067.db2.gz WWCZYWHWBRYAAA-UHFFFAOYSA-N 0 3 357.527 2.534 50 0 FFAAHN OC1(CNCc2cc(Cl)ccc2OCc2cccnc2)CCOCC1 ZINC000238140183 222914793 /nfs/dbraw/zinc/91/47/93/222914793.db2.gz FJODOCVWEGGLKE-UHFFFAOYSA-N 0 3 362.857 2.945 50 0 FFAAHN Cc1ccc([C@@H](CNC(=O)[C@H](C)NC(=O)c2ccco2)N2CCCC2)cc1 ZINC000058430922 212011023 /nfs/dbraw/zinc/01/10/23/212011023.db2.gz DWROLBSPKPHPIC-FUHWJXTLSA-N 0 3 369.465 2.660 50 0 FFAAHN Cc1c(NC(=O)CN(C)C2CCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000013323251 220063751 /nfs/dbraw/zinc/06/37/51/220063751.db2.gz OJTNPWSFDAXDTQ-UHFFFAOYSA-N 0 3 356.470 2.687 50 0 FFAAHN COc1cc(CN(C[C@H](O)COCc2ccco2)C2CC2)cc(OC)c1 ZINC000036095104 211650803 /nfs/dbraw/zinc/65/08/03/211650803.db2.gz FJEWEJMDTZKNPQ-KRWDZBQOSA-N 0 3 361.438 2.839 50 0 FFAAHN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NC1CCN(C2CC2)CC1 ZINC000029093458 211504004 /nfs/dbraw/zinc/50/40/04/211504004.db2.gz PWGLWADRERWZIB-UHFFFAOYSA-N 0 3 364.873 2.787 50 0 FFAAHN COc1ccc(CN2CCCN(Cc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000022833384 211365575 /nfs/dbraw/zinc/36/55/75/211365575.db2.gz USVRZHDYHFLOPM-UHFFFAOYSA-N 0 3 353.466 2.502 50 0 FFAAHN COc1ccc([C@@H](CNC(=O)/C=C/c2ccc3c(c2)OCO3)N(C)C)cc1 ZINC000022414424 211350473 /nfs/dbraw/zinc/35/04/73/211350473.db2.gz WWIJFCLGXNVGQL-HNDWGLKSSA-N 0 3 368.433 2.856 50 0 FFAAHN C[C@@H](NCC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(F)cc1 ZINC000022038403 211334254 /nfs/dbraw/zinc/33/42/54/211334254.db2.gz HEJOAZWUKMUGRQ-MRXNPFEDSA-N 0 3 363.477 2.777 50 0 FFAAHN COc1ccc(CN2CCN(CC(C)C)[C@@H](CCO)C2)c(Cl)c1OC ZINC000020774441 211295220 /nfs/dbraw/zinc/29/52/20/211295220.db2.gz FHOACDQBTJOUFK-INIZCTEOSA-N 0 3 370.921 2.882 50 0 FFAAHN CCOc1ccc(N2C(=O)C[C@@H](NCCc3ccccc3F)C2=O)cc1 ZINC000018106453 211191942 /nfs/dbraw/zinc/19/19/42/211191942.db2.gz MNQODASRMQMUJM-GOSISDBHSA-N 0 3 356.397 2.689 50 0 FFAAHN C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCCCCCC1 ZINC000016484799 211160970 /nfs/dbraw/zinc/16/09/70/211160970.db2.gz YJWHDTWOTBWEAJ-OAHLLOKOSA-N 0 3 367.515 2.530 50 0 FFAAHN CCN1CCC(NC(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000016604737 211164694 /nfs/dbraw/zinc/16/46/94/211164694.db2.gz DMGGFLLHKXOOIW-LBPRGKRZSA-N 0 3 355.276 2.817 50 0 FFAAHN CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC000015773640 211141840 /nfs/dbraw/zinc/14/18/40/211141840.db2.gz AJQRCQDPUGSVIN-FQEVSTJZSA-N 0 3 365.477 2.603 50 0 FFAAHN Cc1ccc(CN(C)C[C@]2(O)CCCN(Cc3cccc(C)c3)C2=O)o1 ZINC000015080402 211121363 /nfs/dbraw/zinc/12/13/63/211121363.db2.gz WPSTVHNUTYGOBZ-OAQYLSRUSA-N 0 3 356.466 2.882 50 0 FFAAHN Cc1cccc(CN2CCC[C@]3(CCN(c4ccnc(CO)c4)C3)C2=O)c1 ZINC000014949423 211105389 /nfs/dbraw/zinc/10/53/89/211105389.db2.gz MHAKZMSDWTUEJZ-JOCHJYFZSA-N 0 3 365.477 2.901 50 0 FFAAHN CN(Cc1ccco1)[C@@H]1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 ZINC000014750478 211099974 /nfs/dbraw/zinc/09/99/74/211099974.db2.gz VTWNLCVRRVOTLC-OAHLLOKOSA-N 0 3 356.470 2.629 50 0 FFAAHN CCC(C)(C)NCC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000014095182 211073427 /nfs/dbraw/zinc/07/34/27/211073427.db2.gz OECXWHSLYNFRCY-UHFFFAOYSA-N 0 3 357.248 2.937 50 0 FFAAHN COC(=O)c1c(C)[nH]c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1C ZINC000014082989 211071713 /nfs/dbraw/zinc/07/17/13/211071713.db2.gz LZSWXAMKKWHKSE-UHFFFAOYSA-N 0 3 369.465 2.813 50 0 FFAAHN c1ccc(-n2nnnc2Oc2cccc(CNC[C@@H]3CCCO3)c2)cc1 ZINC000013717641 211052428 /nfs/dbraw/zinc/05/24/28/211052428.db2.gz NKFTVGSCQYQMQA-SFHVURJKSA-N 0 3 351.410 2.723 50 0 FFAAHN O=C1N(CCc2ccccc2)CCC[C@]1(O)CNC1(c2ccccc2)CC1 ZINC000012298415 210937165 /nfs/dbraw/zinc/93/71/65/210937165.db2.gz QMPWSXUKXYSXPG-QHCPKHFHSA-N 0 3 364.489 2.862 50 0 FFAAHN COCCn1c(C)cc(O)c([C@@H](c2cccnc2)N2CCC(C)CC2)c1=O ZINC000022697858 220395527 /nfs/dbraw/zinc/39/55/27/220395527.db2.gz KDNAAQDWKNZHNM-HXUWFJFHSA-N 0 3 371.481 2.725 50 0 FFAAHN Cc1ccc(-c2ccc(CCC(=O)N3C[C@H](N(C)C)C[C@H]3CO)o2)cc1 ZINC000065384138 221207876 /nfs/dbraw/zinc/20/78/76/221207876.db2.gz RSIHFWWYEWEDLP-MSOLQXFVSA-N 0 3 356.466 2.711 50 0 FFAAHN COc1ccc(NC(=O)c2ccc3c(c2)nnn3CCN(C)C)cc1Cl ZINC000065255140 221188493 /nfs/dbraw/zinc/18/84/93/221188493.db2.gz YXXDXNZSEPIGHN-UHFFFAOYSA-N 0 3 373.844 2.907 50 0 FFAAHN Cc1cc(-n2nc(C3CC3)nc2[C@H](Cc2ccccc2)n2cnnn2)ccn1 ZINC000065406389 221215192 /nfs/dbraw/zinc/21/51/92/221215192.db2.gz AUHRMTNAVCIZNQ-SFHVURJKSA-N 0 3 372.436 2.667 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3ccc4[nH]cnc4c3)cnn2c1 ZINC000067846805 221294584 /nfs/dbraw/zinc/29/45/84/221294584.db2.gz DWYQZQIGKOVHEZ-UHFFFAOYSA-N 0 3 363.425 2.700 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3ccc4nc[nH]c4c3)cnn2c1 ZINC000067846805 221294587 /nfs/dbraw/zinc/29/45/87/221294587.db2.gz DWYQZQIGKOVHEZ-UHFFFAOYSA-N 0 3 363.425 2.700 50 0 FFAAHN Cc1ccc(C)c(CNC[C@]2(O)CCCN(CCc3ccccc3)C2=O)c1 ZINC000067880173 221299425 /nfs/dbraw/zinc/29/94/25/221299425.db2.gz MAAYDBAYERELTI-HSZRJFAPSA-N 0 3 366.505 2.989 50 0 FFAAHN CCC[C@H](Nc1nc(-c2cccnc2)nc2c1CCNC2)c1nccn1C ZINC000067973858 221310327 /nfs/dbraw/zinc/31/03/27/221310327.db2.gz OBWYCDYGZLQBLJ-INIZCTEOSA-N 0 3 363.469 2.871 50 0 FFAAHN CCn1nc(C)cc1C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071763157 221369474 /nfs/dbraw/zinc/36/94/74/221369474.db2.gz SLFQFJJSZTUDLD-CEWLAPEOSA-N 0 3 364.493 2.914 50 0 FFAAHN c1ccc2c(c1)CCN2CCNc1nc(-c2cccnc2)nc2c1CCNC2 ZINC000071764554 221370423 /nfs/dbraw/zinc/37/04/23/221370423.db2.gz WKHKNGYJXLRZQU-UHFFFAOYSA-N 0 3 372.476 2.659 50 0 FFAAHN Cc1ccnn1CCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071768060 221373068 /nfs/dbraw/zinc/37/30/68/221373068.db2.gz PGONTDFWQKDVOB-KSEOMHKRSA-N 0 3 364.493 2.670 50 0 FFAAHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)cc1 ZINC000331972879 258208330 /nfs/dbraw/zinc/20/83/30/258208330.db2.gz RWPVDEQJDJTNBK-MSOLQXFVSA-N 0 3 364.511 2.661 50 0 FFAAHN Cc1ccc(N2CCN(C(=O)C3(N4CCCC4)CCCC3)CC2=O)cc1 ZINC000082125759 132196335 /nfs/dbraw/zinc/19/63/35/132196335.db2.gz VUQSGJWOSOJLGC-UHFFFAOYSA-N 0 3 355.482 2.579 50 0 FFAAHN Cc1cc(C)c2nccc(N3CCC[C@H](c4nccn4CC(N)=O)C3)c2c1 ZINC000095517319 132213604 /nfs/dbraw/zinc/21/36/04/132213604.db2.gz VBKHYBKZJJYCAR-INIZCTEOSA-N 0 3 363.465 2.917 50 0 FFAAHN CSc1ncc(CNC2CCN(c3ncnc4ccsc43)CC2)n1C ZINC000096163826 132221419 /nfs/dbraw/zinc/22/14/19/132221419.db2.gz CJTHCDCMGYETQJ-UHFFFAOYSA-N 0 3 374.539 2.905 50 0 FFAAHN Cc1ccc(NC(=O)N2CCN(c3cnnc(N(C)C)c3)CC2)c(Cl)c1 ZINC000206724474 132267968 /nfs/dbraw/zinc/26/79/68/132267968.db2.gz SZLKNBQSYDVLPY-UHFFFAOYSA-N 0 3 374.876 2.859 50 0 FFAAHN O=C(N[C@H]1CCCN(c2cnccn2)C1)C1(N2CCCCC2)CCCCC1 ZINC000216427604 132271355 /nfs/dbraw/zinc/27/13/55/132271355.db2.gz DIEUPVZPRRZWCW-SFHVURJKSA-N 0 3 371.529 2.750 50 0 FFAAHN O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000000895100 132379136 /nfs/dbraw/zinc/37/91/36/132379136.db2.gz IGXPMZOLMUTNGH-UHFFFAOYSA-N 0 3 353.422 2.566 50 0 FFAAHN Cc1nc(C(C)C)cc(N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)n1 ZINC000072146552 136142661 /nfs/dbraw/zinc/14/26/61/136142661.db2.gz NDBSQSMMMLMJKH-UXHICEINSA-N 0 3 352.482 2.821 50 0 FFAAHN COCCN(C(=O)Nc1cccc(OC)c1Cl)C1CCN(C)CC1 ZINC000096138165 222042301 /nfs/dbraw/zinc/04/23/01/222042301.db2.gz CRCSUKGHTKEKFH-UHFFFAOYSA-N 0 3 355.866 2.923 50 0 FFAAHN COc1ccc(C[C@H](N)c2nc(C3CC3)nn2C2CCN(C)CC2)cc1 ZINC000096148649 222050670 /nfs/dbraw/zinc/05/06/70/222050670.db2.gz AQDXXOKSSAXAAB-SFHVURJKSA-N 0 3 355.486 2.673 50 0 FFAAHN CC[C@@H](c1nc(C)nn1C1CCN(C)CC1)N1Cc2ccccc2C1=O ZINC000096153252 222054405 /nfs/dbraw/zinc/05/44/05/222054405.db2.gz WBZZLWDZBVZPRF-SFHVURJKSA-N 0 3 353.470 2.960 50 0 FFAAHN O=C(NCCN1CCCC[C@H]1CO)Nc1ccc(Oc2ccccc2)nc1 ZINC000096165592 222064679 /nfs/dbraw/zinc/06/46/79/222064679.db2.gz GTRVECZQADVZCS-KRWDZBQOSA-N 0 3 370.453 2.842 50 0 FFAAHN Cc1ccc(/C=C\C(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)o1 ZINC000096402642 222120375 /nfs/dbraw/zinc/12/03/75/222120375.db2.gz ITAKOKZGLCMURP-MQNTZWLQSA-N 0 3 367.449 2.937 50 0 FFAAHN COc1ccc([C@H](CNC(=O)/C=C\c2ccc3c(c2)OCO3)N(C)C)cc1 ZINC000096639894 222127470 /nfs/dbraw/zinc/12/74/70/222127470.db2.gz WWIJFCLGXNVGQL-YYLWEKDPSA-N 0 3 368.433 2.856 50 0 FFAAHN Cc1cnc2c(cccc2S(=O)(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1 ZINC000097104265 222160161 /nfs/dbraw/zinc/16/01/61/222160161.db2.gz DOANCMYCYVZVON-HOCLYGCPSA-N 0 3 361.511 2.942 50 0 FFAAHN CNC(=O)[C@H]1CCCC[C@@H]1NCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000097102618 222160281 /nfs/dbraw/zinc/16/02/81/222160281.db2.gz ANZIPMJPVLJPKV-ZFWWWQNUSA-N 0 3 351.878 2.790 50 0 FFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)OC12CCCC2 ZINC000097475633 222185006 /nfs/dbraw/zinc/18/50/06/222185006.db2.gz FKFOFRLTTWKONR-GOSISDBHSA-N 0 3 356.466 2.643 50 0 FFAAHN CCSc1ncc(CN2CCN(C3Cc4ccccc4C3)CC2)cn1 ZINC000097602525 222196973 /nfs/dbraw/zinc/19/69/73/222196973.db2.gz HKIQRIDWRAJEOH-UHFFFAOYSA-N 0 3 354.523 2.874 50 0 FFAAHN Cc1ccccc1[C@H](CNC(=O)c1cnc(-c2cccnc2)nc1)N(C)C ZINC000097716931 222207598 /nfs/dbraw/zinc/20/75/98/222207598.db2.gz JJHDXUZZLBTTDP-IBGZPJMESA-N 0 3 361.449 2.880 50 0 FFAAHN CC(C)=CCN1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1CCO ZINC000104437844 222357620 /nfs/dbraw/zinc/35/76/20/222357620.db2.gz DOWJSGSOMJYOCJ-HXUWFJFHSA-N 0 3 354.498 2.912 50 0 FFAAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3ccncc3)C2)CC1 ZINC000019772129 263376521 /nfs/dbraw/zinc/37/65/21/263376521.db2.gz YWONLIDLFZLPNU-FQEVSTJZSA-N 0 3 366.509 2.877 50 0 FFAAHN Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)N2CCCNCC2)cc1 ZINC000426730318 263665149 /nfs/dbraw/zinc/66/51/49/263665149.db2.gz FKFGQVQGAJCKBW-UHFFFAOYSA-N 0 3 367.375 2.933 50 0 FFAAHN CC[C@@H](CNC(=O)c1ccc(I)cc1)N1CCCC1 ZINC000032653573 506274425 /nfs/dbraw/zinc/27/44/25/506274425.db2.gz ORCRNQNZQMKSQO-AWEZNQCLSA-N 0 3 372.250 2.895 50 0 FFAAHN CN1CCC(NC(=O)c2cc(Br)ccc2OC(F)F)CC1 ZINC000002791162 506293550 /nfs/dbraw/zinc/29/35/50/506293550.db2.gz GBEDSZHCFAWUTQ-UHFFFAOYSA-N 0 3 363.202 2.875 50 0 FFAAHN CC(=O)Nc1nc2ccc(CC(=O)NCCN3CCCCCC3)cc2s1 ZINC000032959583 506317759 /nfs/dbraw/zinc/31/77/59/506317759.db2.gz IZAAZBLZWPYWIS-UHFFFAOYSA-N 0 3 374.510 2.789 50 0 FFAAHN Cc1cccc(C)c1OC[C@H](O)CN(C)Cc1ccc2c(c1)OCCO2 ZINC000033015052 506324499 /nfs/dbraw/zinc/32/44/99/506324499.db2.gz ZIMQFMYMFNBTHQ-GOSISDBHSA-N 0 3 357.450 2.946 50 0 FFAAHN CCN1C[C@@H](CN(C)C[C@H](O)COc2ccccc2F)Oc2ccccc21 ZINC000034872109 506372499 /nfs/dbraw/zinc/37/24/99/506372499.db2.gz CCRZBXDKCQCKKJ-DLBZAZTESA-N 0 3 374.456 2.785 50 0 FFAAHN Cc1ccc([C@@H](CNCc2ccc(-n3ccnc3)cc2)N2CCOCC2)o1 ZINC000053602237 506413339 /nfs/dbraw/zinc/41/33/39/506413339.db2.gz OCSQXNFWNKPJRG-HXUWFJFHSA-N 0 3 366.465 2.937 50 0 FFAAHN CCN1CCN(Cc2ccc(CNC(=O)COc3ccccc3)cc2)CC1 ZINC000040115261 506467948 /nfs/dbraw/zinc/46/79/48/506467948.db2.gz NJSDJDZZEKMDMQ-UHFFFAOYSA-N 0 3 367.493 2.519 50 0 FFAAHN COc1cc(CN[C@@H]2CCSc3ccccc32)ccc1OCC(N)=O ZINC000008882657 506672764 /nfs/dbraw/zinc/67/27/64/506672764.db2.gz QNELXTZAOQCWPO-OAHLLOKOSA-N 0 3 358.463 2.886 50 0 FFAAHN Cc1cc(NC(=O)CN(C)C(=O)c2ccc(CN3CCCCC3)cc2)no1 ZINC000010029618 506722833 /nfs/dbraw/zinc/72/28/33/506722833.db2.gz QDSPPDFVMHSEHH-UHFFFAOYSA-N 0 3 370.453 2.680 50 0 FFAAHN CSc1nnc(CC2CCN(Cc3cccc4nsnc43)CC2)n1C ZINC000055327398 506727687 /nfs/dbraw/zinc/72/76/87/506727687.db2.gz RBBQSESHHYDTIZ-UHFFFAOYSA-N 0 3 374.539 2.996 50 0 FFAAHN CCN1CCC(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000011527129 506779000 /nfs/dbraw/zinc/77/90/00/506779000.db2.gz WWLSWAHSCCDNDP-OAHLLOKOSA-N 0 3 367.902 2.743 50 0 FFAAHN CN(C[C@@H]1CCCCN1C)C(=O)c1coc(COc2ccccc2F)n1 ZINC000011753702 506792421 /nfs/dbraw/zinc/79/24/21/506792421.db2.gz HBXVMEAAKFRHOG-AWEZNQCLSA-N 0 3 361.417 2.949 50 0 FFAAHN Cc1ccccc1CNC[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000011957464 506805946 /nfs/dbraw/zinc/80/59/46/506805946.db2.gz ADHGZSHTCOHQAM-OAQYLSRUSA-N 0 3 374.431 2.917 50 0 FFAAHN Cc1n[nH]cc1C1CCN(C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000375394767 512302107 /nfs/dbraw/zinc/30/21/07/512302107.db2.gz VMYALKDAUGUIMK-INIZCTEOSA-N 0 3 354.454 2.819 50 0 FFAAHN CC(C)(C)CN1CCC[C@](O)(CNCc2c[nH]nc2-c2ccccc2)C1=O ZINC000012300190 506845238 /nfs/dbraw/zinc/84/52/38/506845238.db2.gz IAQZHTRDJBHRNY-NRFANRHFSA-N 0 3 370.497 2.566 50 0 FFAAHN COc1ccc(OC)c(COC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000012420228 506861113 /nfs/dbraw/zinc/86/11/13/506861113.db2.gz RDCSYYLARFPFDE-IBGZPJMESA-N 0 3 357.450 2.640 50 0 FFAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1CC1 ZINC000012612671 506884040 /nfs/dbraw/zinc/88/40/40/506884040.db2.gz KXBLBLIXXSQYQJ-QGZVFWFLSA-N 0 3 361.505 2.838 50 0 FFAAHN CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000056144398 506946859 /nfs/dbraw/zinc/94/68/59/506946859.db2.gz HDEZSAQCWGJGDO-HUUCEWRRSA-N 0 3 370.453 2.545 50 0 FFAAHN COc1cccc(CS(=O)(=O)C(C)C(=O)N(C)Cc2ccccc2)c1 ZINC000046140342 507084686 /nfs/dbraw/zinc/08/46/86/507084686.db2.gz ROZGUXISFYOPBQ-HNNXBMFYSA-N 0 3 361.463 2.657 50 0 FFAAHN COCCC[N@H+](C)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[n-]2)cc1 ZINC000048441287 507523144 /nfs/dbraw/zinc/52/31/44/507523144.db2.gz JHARIGGKNWRMFN-UHFFFAOYSA-N 0 3 364.449 2.967 50 0 FFAAHN COCCC[N@@H+](C)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[n-]2)cc1 ZINC000048441287 507523151 /nfs/dbraw/zinc/52/31/51/507523151.db2.gz JHARIGGKNWRMFN-UHFFFAOYSA-N 0 3 364.449 2.967 50 0 FFAAHN COc1cc2c(cc1CN(Cc1ccncc1)C1CCN(C)CC1)OCO2 ZINC000072168276 507767670 /nfs/dbraw/zinc/76/76/70/507767670.db2.gz GNJYEZLNMKWYBL-UHFFFAOYSA-N 0 3 369.465 2.915 50 0 FFAAHN N[C@@H]1c2ccccc2C2(CCN(C(=O)c3cc4sccc4[nH]3)CC2)[C@H]1O ZINC000072169980 507769200 /nfs/dbraw/zinc/76/92/00/507769200.db2.gz NLNNRUNRHAEFBB-MSOLQXFVSA-N 0 3 367.474 2.778 50 0 FFAAHN COc1cccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)c1 ZINC000072306657 507774073 /nfs/dbraw/zinc/77/40/73/507774073.db2.gz BZHCRXUZXUZNLR-UHFFFAOYSA-N 0 3 354.450 2.582 50 0 FFAAHN Cc1cc2nc(-c3ccccc3)cc(NCCCN3CCC[C@H](O)C3)n2n1 ZINC000072432604 507790704 /nfs/dbraw/zinc/79/07/04/507790704.db2.gz AFAYGJSHXBRFOI-SFHVURJKSA-N 0 3 365.481 2.963 50 0 FFAAHN Cc1nn(C)cc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 ZINC000072470562 507794648 /nfs/dbraw/zinc/79/46/48/507794648.db2.gz WGBSXTJHIVJMRO-QFBILLFUSA-N 0 3 372.538 2.846 50 0 FFAAHN CCCNC(=O)CN1CCC(NCc2csc(Br)c2)CC1 ZINC000030911754 507814679 /nfs/dbraw/zinc/81/46/79/507814679.db2.gz DPMWATGJKFIYAE-UHFFFAOYSA-N 0 3 374.348 2.591 50 0 FFAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1ccncc1)CC2 ZINC000091551948 507992007 /nfs/dbraw/zinc/99/20/07/507992007.db2.gz POWGJEZLPNFAIV-UHFFFAOYSA-N 0 3 353.470 2.594 50 0 FFAAHN CO[C@H]1C[C@@H](O)C12CCN(Cc1cc(=O)c3c(C)ccc(C)c3[nH]1)CC2 ZINC000091595453 507995253 /nfs/dbraw/zinc/99/52/53/507995253.db2.gz GBFPOWQHYDIWPU-MSOLQXFVSA-N 0 3 356.466 2.507 50 0 FFAAHN CC1(C)CN(Cc2ccc(OCC(=O)N3CCCC3)cc2)CC[C@]1(C)O ZINC000091793757 508013795 /nfs/dbraw/zinc/01/37/95/508013795.db2.gz LXBWVZRDJMUITF-NRFANRHFSA-N 0 3 360.498 2.671 50 0 FFAAHN Cc1ncc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c(=O)[n-]1 ZINC000091934201 508025421 /nfs/dbraw/zinc/02/54/21/508025421.db2.gz KKYCPUBXIIDAQW-GOSISDBHSA-N 0 3 354.454 2.920 50 0 FFAAHN Cc1ccc(CN2CCC(c3nnc(Cn4ccnc4)n3C)CC2)s1 ZINC000091964478 508028171 /nfs/dbraw/zinc/02/81/71/508028171.db2.gz NRDGPSGELVQZIE-UHFFFAOYSA-N 0 3 356.499 2.809 50 0 FFAAHN CN(C)c1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)cn1 ZINC000092081359 508041216 /nfs/dbraw/zinc/04/12/16/508041216.db2.gz FDINUNNDEBCQPA-AZUAARDMSA-N 0 3 351.498 2.639 50 0 FFAAHN CCCCc1nc(CN2C[C@H]3CC[C@@H]2CN(Cc2[nH]cnc2C)C3)c[nH]1 ZINC000092080642 508041988 /nfs/dbraw/zinc/04/19/88/508041988.db2.gz ZQLQXTUFYDLWBR-FUHWJXTLSA-N 0 3 356.518 2.880 50 0 FFAAHN CCCCc1ncc(CN2C[C@H]3CC[C@@H]2CN(Cc2[nH]cnc2C)C3)[nH]1 ZINC000092080642 508041991 /nfs/dbraw/zinc/04/19/91/508041991.db2.gz ZQLQXTUFYDLWBR-FUHWJXTLSA-N 0 3 356.518 2.880 50 0 FFAAHN O=C(NCc1cc(-c2ccccn2)no1)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000095355441 508174463 /nfs/dbraw/zinc/17/44/63/508174463.db2.gz DNUMIPOUWWHOSZ-OAHLLOKOSA-N 0 3 366.421 2.858 50 0 FFAAHN CC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)s1 ZINC000095354093 508174660 /nfs/dbraw/zinc/17/46/60/508174660.db2.gz HQMDOLLKTQDRLE-OAHLLOKOSA-N 0 3 374.510 2.729 50 0 FFAAHN Cc1nccn1CC1CCN(C(=O)c2cc(-c3ccccc3O)[nH]n2)CC1 ZINC000095376001 508179917 /nfs/dbraw/zinc/17/99/17/508179917.db2.gz IMFUSNOJLMJYJS-UHFFFAOYSA-N 0 3 365.437 2.840 50 0 FFAAHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCN(C2CCOCC2)CC1 ZINC000095391328 508183494 /nfs/dbraw/zinc/18/34/94/508183494.db2.gz XXBJHEFRHNZMTQ-UHFFFAOYSA-N 0 3 371.525 2.609 50 0 FFAAHN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000095444657 508185634 /nfs/dbraw/zinc/18/56/34/508185634.db2.gz NGFYISOJHIRCQV-USXIJHARSA-N 0 3 366.889 2.555 50 0 FFAAHN CS(=O)(=O)N1CCC(N2CCC(CCc3ccccc3)CC2)CC1 ZINC000095457015 508186184 /nfs/dbraw/zinc/18/61/84/508186184.db2.gz GMANPRISFPABKR-UHFFFAOYSA-N 0 3 350.528 2.755 50 0 FFAAHN COc1ccc(OC[C@H](O)CN(C)C)c(CN2Cc3ccccc3C2)c1 ZINC000095508884 508192970 /nfs/dbraw/zinc/19/29/70/508192970.db2.gz ZOBYSPIEMKYXOC-LJQANCHMSA-N 0 3 356.466 2.512 50 0 FFAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ncc[nH]1 ZINC000095515331 508193504 /nfs/dbraw/zinc/19/35/04/508193504.db2.gz KFHHPXUVXVUCLM-SFHVURJKSA-N 0 3 370.497 2.835 50 0 FFAAHN C[C@@H](NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)[C@H](C)CO ZINC000095941356 508198414 /nfs/dbraw/zinc/19/84/14/508198414.db2.gz VVAPGRZNDVDLTH-HUUCEWRRSA-N 0 3 358.486 2.715 50 0 FFAAHN COCCN1C[C@@]2(CCCN(Cc3ccc(C)cc3OC)C2)CCC1=O ZINC000077437228 508315721 /nfs/dbraw/zinc/31/57/21/508315721.db2.gz BEBFSTRZNKQYAH-NRFANRHFSA-N 0 3 360.498 2.855 50 0 FFAAHN CCn1nc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1C ZINC000077440365 508316265 /nfs/dbraw/zinc/31/62/65/508316265.db2.gz SZNIBOAERUXOAM-UHFFFAOYSA-N 0 3 354.498 2.992 50 0 FFAAHN O=C(c1cnn2ccccc12)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000077505472 508324953 /nfs/dbraw/zinc/32/49/53/508324953.db2.gz FJQRMCHMWBSALA-UHFFFAOYSA-N 0 3 360.461 2.650 50 0 FFAAHN O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@@H]1CCCOC1 ZINC000136692968 508709799 /nfs/dbraw/zinc/70/97/99/508709799.db2.gz RZKGWPLZHWLCDO-OAHLLOKOSA-N 0 3 366.889 2.726 50 0 FFAAHN Cc1[nH]c2c(cccc2CN2CCCO[C@H](CN3CCOCC3)C2)c1C ZINC000215441208 509248708 /nfs/dbraw/zinc/24/87/08/509248708.db2.gz RLAJZZBXJJXXCZ-LJQANCHMSA-N 0 3 357.498 2.708 50 0 FFAAHN Cc1nn(CCO)cc1CN1CCC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000215803398 509252735 /nfs/dbraw/zinc/25/27/35/509252735.db2.gz IABZLAGCYQDFNT-KRWDZBQOSA-N 0 3 367.453 2.613 50 0 FFAAHN CCOc1cc(CN2CCN3CCN(C)C[C@@H]3C2)cc(Cl)c1OCC ZINC000216000162 509256180 /nfs/dbraw/zinc/25/61/80/509256180.db2.gz FLZLHVIAABBGBF-MRXNPFEDSA-N 0 3 367.921 2.569 50 0 FFAAHN Cc1nccn1CCC(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000216112359 509257364 /nfs/dbraw/zinc/25/73/64/509257364.db2.gz RHVYEYHPCIOIEJ-UHFFFAOYSA-N 0 3 352.482 2.631 50 0 FFAAHN CSCCC[N@@H+]1C[C@H]2CN(Cc3cccc4[nH]ccc43)C[C@@]2(C(=O)[O-])C1 ZINC000216379530 509259056 /nfs/dbraw/zinc/25/90/56/509259056.db2.gz ZUVMDYKLVBBMFZ-JXFKEZNVSA-N 0 3 373.522 2.739 50 0 FFAAHN CSCCC[N@H+]1C[C@H]2CN(Cc3cccc4[nH]ccc43)C[C@@]2(C(=O)[O-])C1 ZINC000216379530 509259066 /nfs/dbraw/zinc/25/90/66/509259066.db2.gz ZUVMDYKLVBBMFZ-JXFKEZNVSA-N 0 3 373.522 2.739 50 0 FFAAHN CSCCCN1C[C@H]2C[N@H+](Cc3cccc4[nH]ccc43)C[C@@]2(C(=O)[O-])C1 ZINC000216379530 509259076 /nfs/dbraw/zinc/25/90/76/509259076.db2.gz ZUVMDYKLVBBMFZ-JXFKEZNVSA-N 0 3 373.522 2.739 50 0 FFAAHN CSCCCN1C[C@H]2C[N@@H+](Cc3cccc4[nH]ccc43)C[C@@]2(C(=O)[O-])C1 ZINC000216379530 509259087 /nfs/dbraw/zinc/25/90/87/509259087.db2.gz ZUVMDYKLVBBMFZ-JXFKEZNVSA-N 0 3 373.522 2.739 50 0 FFAAHN C[C@H](CCc1ccccc1)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000192141878 509366989 /nfs/dbraw/zinc/36/69/89/509366989.db2.gz KHBUWRLEUCNXLN-LJQANCHMSA-N 0 3 372.557 2.677 50 0 FFAAHN C[C@@H](CCc1ccccc1)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000192141874 509367681 /nfs/dbraw/zinc/36/76/81/509367681.db2.gz KHBUWRLEUCNXLN-IBGZPJMESA-N 0 3 372.557 2.677 50 0 FFAAHN COc1ccc(CN2CCN(C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)cc1 ZINC000230208935 509435477 /nfs/dbraw/zinc/43/54/77/509435477.db2.gz QTWVHJMHPKVMQA-JOCHJYFZSA-N 0 3 371.525 2.604 50 0 FFAAHN C[C@@H]1C[C@@H](N(C)C(=O)c2csc(CN)n2)CCN1Cc1ccccc1 ZINC000237565963 509678684 /nfs/dbraw/zinc/67/86/84/509678684.db2.gz WDCHMVZECUHZPO-ZBFHGGJFSA-N 0 3 358.511 2.727 50 0 FFAAHN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC1(O)CCOCC1 ZINC000237608388 509689014 /nfs/dbraw/zinc/68/90/14/509689014.db2.gz RAECEAUUJSZIDU-UHFFFAOYSA-N 0 3 367.852 2.663 50 0 FFAAHN CN(CC1CCOCC1)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189800887 509759644 /nfs/dbraw/zinc/75/96/44/509759644.db2.gz XLXLHOKGRVIXTD-SFHVURJKSA-N 0 3 352.425 2.814 50 0 FFAAHN COc1cccc(-c2n[nH]cc2CN2CCC3(CC2)C[C@H](O)CCO3)c1 ZINC000257191509 509952511 /nfs/dbraw/zinc/95/25/11/509952511.db2.gz QMGKOIAAQSYMFE-QGZVFWFLSA-N 0 3 357.454 2.591 50 0 FFAAHN CCC(C)(C)NC(=O)c1nn(CCOc2ccccc2)c2c1CNCC2 ZINC000257191666 509953723 /nfs/dbraw/zinc/95/37/23/509953723.db2.gz PXHCZBTWUDBZHV-UHFFFAOYSA-N 0 3 356.470 2.526 50 0 FFAAHN Cn1cc([C@@H]2CCCN2C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000194451297 510371498 /nfs/dbraw/zinc/37/14/98/510371498.db2.gz LQVVYSWQCVMESU-ICSRJNTNSA-N 0 3 367.497 2.789 50 0 FFAAHN CN1CCC(CC(=O)N(Cc2ccncc2)C[C@H](O)c2ccccc2)CC1 ZINC000426504011 513962434 /nfs/dbraw/zinc/96/24/34/513962434.db2.gz OEIFSAYZISOEAR-NRFANRHFSA-N 0 3 367.493 2.876 50 0 FFAAHN COc1cccc(CCNC(=O)N2CC[C@@H](N3CCCCC3)C2)c1OC ZINC000426533879 513972877 /nfs/dbraw/zinc/97/28/77/513972877.db2.gz BXLKRJJZICVKDY-QGZVFWFLSA-N 0 3 361.486 2.516 50 0 FFAAHN O=C(NCc1ncc[nH]1)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 ZINC000426552418 513978729 /nfs/dbraw/zinc/97/87/29/513978729.db2.gz YHSXYEOPHFLBAT-OAQYLSRUSA-N 0 3 367.497 2.998 50 0 FFAAHN CN1CC[C@]2(C1)CCCN(C(=O)c1cccc(-c3ccc(C(N)=O)o3)c1)C2 ZINC000426575150 513984605 /nfs/dbraw/zinc/98/46/05/513984605.db2.gz SMSJNBJBEFDXLF-NRFANRHFSA-N 0 3 367.449 2.603 50 0 FFAAHN COc1cc([C@@H](C)NC(=O)N(C)CCN2CCCC2)cc(OC)c1OC ZINC000426642920 514003248 /nfs/dbraw/zinc/00/32/48/514003248.db2.gz PFLYFGHEKBNBAC-CQSZACIVSA-N 0 3 365.474 2.511 50 0 FFAAHN Cc1cc(C)n(CC2(CNC(=O)N3CC(N4CCCC[C@H]4C)C3)CC2)n1 ZINC000534631123 517972270 /nfs/dbraw/zinc/97/22/70/517972270.db2.gz AKBCAAGDYZYSLX-MRXNPFEDSA-N 0 3 359.518 2.548 50 0 FFAAHN COCc1noc(C[C@H]2CCOC3(CCN(Cc4cccnc4)CC3)C2)n1 ZINC000575545659 518229604 /nfs/dbraw/zinc/22/96/04/518229604.db2.gz LTVXXHYYBQNEOS-MRXNPFEDSA-N 0 3 372.469 2.615 50 0 FFAAHN O=C(NCC1CCN([C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000575605160 518233960 /nfs/dbraw/zinc/23/39/60/518233960.db2.gz AFGRSFFJZLEUSR-CQSZACIVSA-N 0 3 367.287 2.680 50 0 FFAAHN C[C@@H](CNC(=O)NCC1(O)CCN(C)CC1)Cc1cccc2ccccc21 ZINC000584896913 518528431 /nfs/dbraw/zinc/52/84/31/518528431.db2.gz FDXRIQHPCXXPFG-QGZVFWFLSA-N 0 3 369.509 2.774 50 0 FFAAHN CN(C)[C@H](CNC[C@H](O)CO[C@H]1CCCc2ccccc21)c1ccco1 ZINC000245266085 522085267 /nfs/dbraw/zinc/08/52/67/522085267.db2.gz IJMYRTHBCFPGLM-SXLOBPIMSA-N 0 3 358.482 2.927 50 0 FFAAHN CN(C)[C@H](CNC[C@@H](O)CO[C@H]1CCCc2ccccc21)c1ccco1 ZINC000245266083 522087091 /nfs/dbraw/zinc/08/70/91/522087091.db2.gz IJMYRTHBCFPGLM-RLLQIKCJSA-N 0 3 358.482 2.927 50 0 FFAAHN CCc1noc(C)c1C(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 ZINC000082157395 522830550 /nfs/dbraw/zinc/83/05/50/522830550.db2.gz RWSDJZJJUVZZKZ-UHFFFAOYSA-N 0 3 359.474 2.534 50 0 FFAAHN COCc1ccc(C(=O)N(Cc2ccncc2)C2CCN(C)CC2)cc1 ZINC000097815156 522945082 /nfs/dbraw/zinc/94/50/82/522945082.db2.gz OLBABXOTGHCQKA-UHFFFAOYSA-N 0 3 353.466 2.965 50 0 FFAAHN CCc1c(C)nn(CC(=O)N[C@@H]2CCCN(Cc3cccnc3)CC2)c1C ZINC000082166845 523714716 /nfs/dbraw/zinc/71/47/16/523714716.db2.gz GWEATPHRQHAFJK-LJQANCHMSA-N 0 3 369.513 2.628 50 0 FFAAHN Cc1ccc(OCC(=O)NCC2(N3CCN(C)CC3)CCCCC2)cc1C ZINC000019902166 525387578 /nfs/dbraw/zinc/38/75/78/525387578.db2.gz BZEDECJIDNATST-UHFFFAOYSA-N 0 3 373.541 2.749 50 0 FFAAHN O=C([C@H]1CC[C@@H](O)CC1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000244795297 526552601 /nfs/dbraw/zinc/55/26/01/526552601.db2.gz RDMKBDBRGIIXOW-JOZSIVFUSA-N 0 3 372.484 2.765 50 0 FFAAHN O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C[C@H]2CCCO2)C1 ZINC000247741805 527160080 /nfs/dbraw/zinc/16/00/80/527160080.db2.gz OFIFYUIAHUQNPE-TZMCWYRMSA-N 0 3 368.275 2.674 50 0 FFAAHN O=C(Cc1cnc2ccccn12)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000091637097 527324506 /nfs/dbraw/zinc/32/45/06/527324506.db2.gz VMSLLSIWFVWQQJ-VQTJNVASSA-N 0 3 374.488 3.000 50 0 FFAAHN Cc1nn(CC(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)cc1Cl ZINC000091504051 527701628 /nfs/dbraw/zinc/70/16/28/527701628.db2.gz JYZMOATYSWARIJ-QZTJIDSGSA-N 0 3 372.900 2.968 50 0 FFAAHN CCc1cccc(OC2CN(C3CCN(c4cc(C)nc(N)n4)CC3)C2)c1 ZINC000095391494 535903758 /nfs/dbraw/zinc/90/37/58/535903758.db2.gz PAHIIINHURIDBQ-UHFFFAOYSA-N 0 3 367.497 2.662 50 0 FFAAHN COc1cccc(-c2n[nH]cc2CNCc2ccnc(-n3cccn3)c2)c1 ZINC000048234819 570937605 /nfs/dbraw/zinc/93/76/05/570937605.db2.gz MCPODKVGEZJOCL-UHFFFAOYSA-N 0 3 360.421 2.956 50 0 FFAAHN O=C(Nc1cnccn1)[C@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000048299961 570944327 /nfs/dbraw/zinc/94/43/27/570944327.db2.gz OOXFCDFOXDTNEN-KRWDZBQOSA-N 0 3 362.437 2.513 50 0 FFAAHN CC(C)c1noc(CCN[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)n1 ZINC000089578358 728444160 /nfs/dbraw/zinc/44/41/60/728444160.db2.gz REALHCKAUZJAEW-NSHDSACASA-N 0 3 355.435 2.629 50 0 FFAAHN CC(C)CCN1CCc2c(sc3ncnc(N4CCN(C)CC4)c23)C1 ZINC000169757017 728981361 /nfs/dbraw/zinc/98/13/61/728981361.db2.gz HXEJLXAWJIVXQT-UHFFFAOYSA-N 0 3 359.543 2.847 50 0 FFAAHN C[C@H]1[C@H](NC(=O)N2CCCc3c(cnn3C)C2)CCN1Cc1ccccc1 ZINC000334127677 972591135 /nfs/dbraw/zinc/59/11/35/972591135.db2.gz QRGQGLWPBABFQS-QFBILLFUSA-N 0 3 367.497 2.541 50 0 FFAAHN CCOc1ccccc1CN(C)[C@@H]1CCc2nn(CC3CC3)c(=O)n2CC1 ZINC000169784026 984964178 /nfs/dbraw/zinc/96/41/78/984964178.db2.gz DMDNPYAVLHUSRA-GOSISDBHSA-N 0 3 370.497 2.690 50 0 FFAAHN COc1ccc2c(c1)C=C(CN1CCCC[C@@H]1CN1CCOCC1)CO2 ZINC000824750922 999259391 /nfs/dbraw/zinc/25/93/91/999259391.db2.gz GSIGAVCNUOZTHQ-LJQANCHMSA-N 0 3 358.482 2.658 50 0 FFAAHN COc1ccccc1-c1cccc(C(=O)NCCN2CCC[C@@H](CO)C2)c1 ZINC000828711119 999579406 /nfs/dbraw/zinc/57/94/06/999579406.db2.gz GOCMXHFYGYOWBL-QGZVFWFLSA-N 0 3 368.477 2.796 50 0 FFAAHN Cn1nc(C(C)(C)C)cc1NC(=O)CN[C@@H]1CCc2ccccc2OC1 ZINC000585080202 1008240773 /nfs/dbraw/zinc/24/07/73/1008240773.db2.gz HGIATEKNMCKGPW-OAHLLOKOSA-N 0 3 356.470 2.640 50 0 FFAAHN O=C([C@@H]1CCCN(Cc2ccco2)C1)N(Cc1cocn1)Cc1cocn1 ZINC000952866868 1011010887 /nfs/dbraw/zinc/01/08/87/1011010887.db2.gz GRWHQEFRBVNOAD-OAHLLOKOSA-N 0 3 370.409 2.697 50 0 FFAAHN Cc1ccsc1[C@@H](CNC(=O)CN1CCOc2ccccc2C1)N(C)C ZINC000952983174 1011036529 /nfs/dbraw/zinc/03/65/29/1011036529.db2.gz STNZBNBWGOHPGB-QGZVFWFLSA-N 0 3 373.522 2.670 50 0 FFAAHN CNC(=O)c1cc[nH]c1[C@H]1CCCN(Cc2ccc(OC)cc2OC)C1 ZINC000409420512 1033633735 /nfs/dbraw/zinc/63/37/35/1033633735.db2.gz UAHMARMDJUTJGI-HNNXBMFYSA-N 0 3 357.454 2.771 50 0 FFAAHN Cc1ccc(-c2nnc(NC(=O)CC[C@H](C)N3CCN(C)CC3)s2)cc1 ZINC001529141851 1062183772 /nfs/dbraw/zinc/18/37/72/1062183772.db2.gz QUJLYXDRYDZVKQ-HNNXBMFYSA-N 0 3 373.526 2.868 50 0 FFAAHN Cc1c(NC(=O)N2CCC[C@@]3(CCN(C)C3)C2)cccc1C(=O)N(C)C ZINC000299796200 210036537 /nfs/dbraw/zinc/03/65/37/210036537.db2.gz NJXAHGDFYZRQPS-FQEVSTJZSA-N 0 3 358.486 2.646 50 0 FFAAHN Cc1cc(NC(=O)NCCN2CCC[C@H](CO)C2)n(C2CCCCC2)n1 ZINC000299775139 210021914 /nfs/dbraw/zinc/02/19/14/210021914.db2.gz HTRSJEUMMJRYCD-INIZCTEOSA-N 0 3 363.506 2.523 50 0 FFAAHN CCn1ccc2cc(C(=O)N3CCN(C4CCN(C)CC4)CC3)ccc21 ZINC000299770107 210017656 /nfs/dbraw/zinc/01/76/56/210017656.db2.gz ZJJURGRNBYNYPD-UHFFFAOYSA-N 0 3 354.498 2.513 50 0 FFAAHN COc1ccccc1Oc1ccccc1NC(=O)NC[C@H]1CNCCO1 ZINC000299765778 210015336 /nfs/dbraw/zinc/01/53/36/210015336.db2.gz AOYPBUTZOLFKDE-CQSZACIVSA-N 0 3 357.410 2.597 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)c1cccc(-c2ccc(CO)cc2CO)c1 ZINC000299758132 210009939 /nfs/dbraw/zinc/00/99/39/210009939.db2.gz CXZNTJCBYHYBEU-FQEVSTJZSA-N 0 3 368.477 2.552 50 0 FFAAHN Cn1c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2oc1=O ZINC000064894410 212048643 /nfs/dbraw/zinc/04/86/43/212048643.db2.gz YGWANKHQSYRZMM-UHFFFAOYSA-N 0 3 365.433 2.526 50 0 FFAAHN CCS(=O)(=O)c1ccccc1C(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 ZINC000059056402 212015260 /nfs/dbraw/zinc/01/52/60/212015260.db2.gz QPXANUJBCUVPKD-HOTGVXAUSA-N 0 3 366.527 2.578 50 0 FFAAHN COc1cc(CCC(=O)NC[C@H]2CCCN2C)ccc1OCC(F)(F)F ZINC000058267720 212001232 /nfs/dbraw/zinc/00/12/32/212001232.db2.gz UIGVRHMEFYOJBT-CQSZACIVSA-N 0 3 374.403 2.779 50 0 FFAAHN COc1cccc(OC)c1CN1CCN(C2CCCCC2)[C@@H](CCO)C1 ZINC000023375500 211388098 /nfs/dbraw/zinc/38/80/98/211388098.db2.gz XBXXUAQEMHMPED-SFHVURJKSA-N 0 3 362.514 2.905 50 0 FFAAHN C[C@@H](O)c1cn(C2CCN(Cc3cn(C)nc3-c3ccccc3)CC2)nn1 ZINC000023337666 211383838 /nfs/dbraw/zinc/38/38/38/211383838.db2.gz FOQPAKOLHGGFSC-OAHLLOKOSA-N 0 3 366.469 2.569 50 0 FFAAHN CSCC[C@H](N)C(=O)N1CCC(n2cc(C3CCCCC3)nn2)CC1 ZINC000023340007 211383317 /nfs/dbraw/zinc/38/33/17/211383317.db2.gz ZMGNCBMPQLGPSA-INIZCTEOSA-N 0 3 365.547 2.570 50 0 FFAAHN COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000020029426 211263868 /nfs/dbraw/zinc/26/38/68/211263868.db2.gz CJTGHPGIPVXCHV-GOSISDBHSA-N 0 3 357.454 2.570 50 0 FFAAHN CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NC[C@H](C)c1ccccc1 ZINC000015679428 211138124 /nfs/dbraw/zinc/13/81/24/211138124.db2.gz CAOIAQLITLOYDE-HNNXBMFYSA-N 0 3 356.466 2.634 50 0 biogenic FFAAHN Cc1cc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3F)C2)nn1C ZINC000015076723 211120227 /nfs/dbraw/zinc/12/02/27/211120227.db2.gz KHULDTRTOFCTTF-KRWDZBQOSA-N 0 3 372.488 2.894 50 0 FFAAHN CCn1cc(C(=O)N2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)cn1 ZINC000015076316 211119439 /nfs/dbraw/zinc/11/94/39/211119439.db2.gz AQQXRSAWKMBNRE-LJQANCHMSA-N 0 3 367.497 2.672 50 0 FFAAHN COc1ccc(CN2C(=O)N(CC(C)C)C3(CCN(C)CC3)C2=O)cc1 ZINC000014748078 211099890 /nfs/dbraw/zinc/09/98/90/211099890.db2.gz FESSXNXWAIUTBF-UHFFFAOYSA-N 0 3 359.470 2.580 50 0 FFAAHN CCOC(=O)[C@@H]1CCCN(C[C@H](O)COC23CC4CC(CC(C4)C2)C3)C1 ZINC000010434683 210371258 /nfs/dbraw/zinc/37/12/58/210371258.db2.gz UTVHFJMPJPDOLN-YWPYOKSTSA-N 0 3 365.514 2.608 50 0 FFAAHN COc1ccc([C@@H](CNCc2ccc3c(c2)OCCO3)N(C)C)cc1OC ZINC000022094920 220377655 /nfs/dbraw/zinc/37/76/55/220377655.db2.gz HSERLPNDXYKSDQ-QGZVFWFLSA-N 0 3 372.465 2.868 50 0 FFAAHN Cc1ccc(/C=C/C(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)o1 ZINC000058434852 221119182 /nfs/dbraw/zinc/11/91/82/221119182.db2.gz ITAKOKZGLCMURP-DVQDXYAYSA-N 0 3 367.449 2.937 50 0 FFAAHN O=C(Cc1nnc(-c2cccs2)o1)N1CCN(C2CCCCC2)CC1 ZINC000065214121 221180642 /nfs/dbraw/zinc/18/06/42/221180642.db2.gz WIWSHWHKUBHHTH-UHFFFAOYSA-N 0 3 360.483 2.818 50 0 FFAAHN CCCN1CCN(CCCNC(=O)c2ccnc(-c3cccs3)c2)CC1 ZINC000065063098 221167245 /nfs/dbraw/zinc/16/72/45/221167245.db2.gz PYECHBTYINHVCS-UHFFFAOYSA-N 0 3 372.538 2.958 50 0 FFAAHN CC(=O)Nc1ccc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cc1 ZINC000065422093 221217244 /nfs/dbraw/zinc/21/72/44/221217244.db2.gz FHIXIRPCQQPUFK-RBUKOAKNSA-N 0 3 368.433 2.724 50 0 FFAAHN Clc1ccc(N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)nn1 ZINC000065452636 221220118 /nfs/dbraw/zinc/22/01/18/221220118.db2.gz HTHDBFGUAPKJQF-UHFFFAOYSA-N 0 3 371.916 2.917 50 0 FFAAHN Cc1ccc2[nH]c(=O)c(CN3CCC([C@@H](O)c4nccn4C)CC3)cc2c1 ZINC000067886034 221300965 /nfs/dbraw/zinc/30/09/65/221300965.db2.gz XZVVWEDOPJMDMZ-LJQANCHMSA-N 0 3 366.465 2.516 50 0 FFAAHN CC[C@H]1CN(C(=O)c2coc(COc3ccc4ncccc4c3)n2)CCN1 ZINC000067956048 221309202 /nfs/dbraw/zinc/30/92/02/221309202.db2.gz WDBPVSFSNCGUBT-HNNXBMFYSA-N 0 3 366.421 2.626 50 0 FFAAHN O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CNCc1ccsc1 ZINC000071278947 221337012 /nfs/dbraw/zinc/33/70/12/221337012.db2.gz BWQVVYNROWXUBS-HXUWFJFHSA-N 0 3 358.507 2.824 50 0 FFAAHN CCc1nc(C)c([C@H]2CN(C)C[C@@H]2C(=O)N2CCc3ccccc3C2)[nH]1 ZINC000071439395 221349544 /nfs/dbraw/zinc/34/95/44/221349544.db2.gz DQVVNZSQGBMYMU-ROUUACIJSA-N 0 3 352.482 2.511 50 0 FFAAHN COc1cc(F)c(-c2nccn2CCN2CCN(C(C)C)CC2)c(F)c1 ZINC000071775597 221375517 /nfs/dbraw/zinc/37/55/17/221375517.db2.gz JQTRPNUHVZVYQR-UHFFFAOYSA-N 0 3 364.440 2.863 50 0 FFAAHN NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CC2CCOCC2)CC1 ZINC000332158559 258216823 /nfs/dbraw/zinc/21/68/23/258216823.db2.gz YBUUPUQGFVLAHI-KRWDZBQOSA-N 0 3 351.878 2.961 50 0 FFAAHN Cc1cc(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C)C3)nc(N)n1 ZINC000095376354 132209120 /nfs/dbraw/zinc/20/91/20/132209120.db2.gz TUEUDEOCHIHXET-KRWDZBQOSA-N 0 3 365.481 2.600 50 0 FFAAHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc2nsnc2c1 ZINC000070928546 136138473 /nfs/dbraw/zinc/13/84/73/136138473.db2.gz HUQQOUVGRPWMHG-UHFFFAOYSA-N 0 3 353.451 2.733 50 0 FFAAHN CC(C)c1nc2c(cnn2C)c(N2CCC(N3CCSCC3)CC2)n1 ZINC000072150606 136142927 /nfs/dbraw/zinc/14/29/27/136142927.db2.gz LJOAHVBCXPDRGZ-UHFFFAOYSA-N 0 3 360.531 2.504 50 0 FFAAHN CNc1cc(-c2nc(CC3CCN(C)CC3)nn2CC(F)(F)F)ccn1 ZINC000096135942 222039075 /nfs/dbraw/zinc/03/90/75/222039075.db2.gz FMDNVQHFFZIMNV-UHFFFAOYSA-N 0 3 368.407 2.828 50 0 FFAAHN CC(C)NC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000096166594 222066451 /nfs/dbraw/zinc/06/64/51/222066451.db2.gz JHZOUXZDDQWSAV-CYBMUJFWSA-N 0 3 352.866 2.646 50 0 FFAAHN CCN(CCc1nc2cc(OC)ccc2[nH]1)C(=O)[C@H]1CCCCCN1C ZINC000097213295 222168980 /nfs/dbraw/zinc/16/89/80/222168980.db2.gz AWDUFNRYCRDARN-GOSISDBHSA-N 0 3 358.486 2.837 50 0 FFAAHN CCc1ccccc1NC(=O)C[C@@H](C)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000097373034 222177486 /nfs/dbraw/zinc/17/74/86/222177486.db2.gz NFMKAQZLYYXQRD-CYBMUJFWSA-N 0 3 352.438 2.926 50 0 FFAAHN CC(C)(C)c1cc(NC(=O)NC[C@@H]2C[C@H](F)CN2)n(-c2ccccc2)n1 ZINC000097655358 222202834 /nfs/dbraw/zinc/20/28/34/222202834.db2.gz HCHGSVTYGMQEGA-KBPBESRZSA-N 0 3 359.449 2.991 50 0 FFAAHN COc1cccc2c1OCC(CN1CCC[C@@]3(CN(C)C(=O)O3)CC1)=C2 ZINC000097742734 222208993 /nfs/dbraw/zinc/20/89/93/222208993.db2.gz XDKASIVARLDNII-FQEVSTJZSA-N 0 3 358.438 2.778 50 0 FFAAHN O=C(CCc1n[nH]c2c1CCCC2)NC[C@H](c1ccco1)N1CCCC1 ZINC000097773114 222211446 /nfs/dbraw/zinc/21/14/46/222211446.db2.gz DHOAMKIEAUOERN-GOSISDBHSA-N 0 3 356.470 2.767 50 0 FFAAHN Cc1nnc(NC(=O)c2cccc(CN3[C@@H]4CC[C@H]3C[C@@H](O)C4)c2)s1 ZINC000102607749 222300633 /nfs/dbraw/zinc/30/06/33/222300633.db2.gz GJCOJDSJUMXJSI-ZSHCYNCHSA-N 0 3 358.467 2.587 50 0 FFAAHN COc1cc(Cl)c(CN2CCN(CC(C)C)[C@H](CCO)C2)cc1OC ZINC000104322988 222355459 /nfs/dbraw/zinc/35/54/59/222355459.db2.gz IGIUCFBAEXQMFN-MRXNPFEDSA-N 0 3 370.921 2.882 50 0 FFAAHN CN(C)C[C@]1(CO)CCCN(C(=O)c2ccc(-c3nccs3)cc2)C1 ZINC000426674383 263655055 /nfs/dbraw/zinc/65/50/55/263655055.db2.gz ZCEKOIHOFOBERN-LJQANCHMSA-N 0 3 359.495 2.586 50 0 FFAAHN CN1CCC(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C2CC2)CC1 ZINC000002777867 506291792 /nfs/dbraw/zinc/29/17/92/506291792.db2.gz ZBYHENIBWQEWIA-UHFFFAOYSA-N 0 3 364.799 2.643 50 0 FFAAHN Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)NC1CCN(C)CC1 ZINC000002781911 506293107 /nfs/dbraw/zinc/29/31/07/506293107.db2.gz FRMZPPMWIIENBF-VIFPVBQESA-N 0 3 352.788 2.635 50 0 FFAAHN O[C@H](CNCc1ccc2c(c1)OCO2)CO[C@@H]1CCCc2ccccc21 ZINC000003430269 506331379 /nfs/dbraw/zinc/33/13/79/506331379.db2.gz ZLLGYPNWRMFMKE-IEBWSBKVSA-N 0 3 355.434 2.960 50 0 FFAAHN CC(C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCN1CCC(C)CC1 ZINC000003895650 506351794 /nfs/dbraw/zinc/35/17/94/506351794.db2.gz LVKFWXXPDIXVIN-KVZIAJEVSA-N 0 3 365.562 2.802 50 0 FFAAHN CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2cccc([O-])c2)CC1 ZINC000003982174 506353345 /nfs/dbraw/zinc/35/33/45/506353345.db2.gz HWKROQUZSKPIKQ-MRXNPFEDSA-N 0 3 352.500 2.667 50 0 investigational FFAAHN COCCCN(Cc1cccn1C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036098192 506395832 /nfs/dbraw/zinc/39/58/32/506395832.db2.gz GXLHUULUNWMMPL-GOSISDBHSA-N 0 3 366.889 2.957 50 0 FFAAHN CC(=O)c1ccc(NC(=O)NC[C@@H](CN(C)C)[C@@H](O)c2ccccc2)cc1 ZINC000036396674 506406698 /nfs/dbraw/zinc/40/66/98/506406698.db2.gz JUGHORUXXYPYQE-ICSRJNTNSA-N 0 3 369.465 2.922 50 0 FFAAHN Cc1nc2sccn2c1CN1CCN(CCC(C)C)[C@H](CCO)C1 ZINC000039515530 506450691 /nfs/dbraw/zinc/45/06/91/506450691.db2.gz YNQAMPOVBLSWRL-MRXNPFEDSA-N 0 3 350.532 2.619 50 0 FFAAHN CCN(CC)[C@@H](CNC(=O)c1cccnc1-n1cncn1)c1ccsc1 ZINC000040089487 506464927 /nfs/dbraw/zinc/46/49/27/506464927.db2.gz LPWDVPFBCDJCOX-INIZCTEOSA-N 0 3 370.482 2.537 50 0 FFAAHN CCN1CCN(Cc2ccccc2CNC(=O)Cc2ccc(F)cc2)CC1 ZINC000040089819 506466424 /nfs/dbraw/zinc/46/64/24/506466424.db2.gz PYNZDFVVLAJZDH-UHFFFAOYSA-N 0 3 369.484 2.822 50 0 FFAAHN CN(C)[C@H](CNC(=O)CSC(=S)N1CCCC1)c1ccccc1 ZINC000008428998 506649623 /nfs/dbraw/zinc/64/96/23/506649623.db2.gz KOQGZSBWRDOVNG-OAHLLOKOSA-N 0 3 351.541 2.519 50 0 FFAAHN COc1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000008428040 506649817 /nfs/dbraw/zinc/64/98/17/506649817.db2.gz WRYKSVDWSJOZPL-QGZVFWFLSA-N 0 3 367.449 2.645 50 0 FFAAHN CCCS(=O)(=O)C(C)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000055108859 506678970 /nfs/dbraw/zinc/67/89/70/506678970.db2.gz BRYGATUXCQQDEI-ZDUSSCGKSA-N 0 3 364.467 2.747 50 0 FFAAHN O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000009460169 506697743 /nfs/dbraw/zinc/69/77/43/506697743.db2.gz IKYCRTDQGXCFPK-UHFFFAOYSA-N 0 3 368.485 2.785 50 0 FFAAHN O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000009460169 506697750 /nfs/dbraw/zinc/69/77/50/506697750.db2.gz IKYCRTDQGXCFPK-UHFFFAOYSA-N 0 3 368.485 2.785 50 0 FFAAHN COCCN1CCC(C[N@H+](C)[C@H](C(=O)[O-])c2ccc(F)c(C)c2)CC1 ZINC000055306967 506723826 /nfs/dbraw/zinc/72/38/26/506723826.db2.gz PWBBKZJUXQITTM-SFHVURJKSA-N 0 3 352.450 2.550 50 0 FFAAHN COCCN1CCC(C[N@@H+](C)[C@H](C(=O)[O-])c2ccc(F)c(C)c2)CC1 ZINC000055306967 506723830 /nfs/dbraw/zinc/72/38/30/506723830.db2.gz PWBBKZJUXQITTM-SFHVURJKSA-N 0 3 352.450 2.550 50 0 FFAAHN CCN1CCC(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000011527143 506778061 /nfs/dbraw/zinc/77/80/61/506778061.db2.gz FQUZSYHNNNNTAS-UHFFFAOYSA-N 0 3 356.470 2.645 50 0 FFAAHN O=C(c1cnc[nH]1)N1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000011754038 506792524 /nfs/dbraw/zinc/79/25/24/506792524.db2.gz ILKLBVFWJBOJKV-LJQANCHMSA-N 0 3 360.408 2.816 50 0 FFAAHN COCCNC(=O)CCC1CCN(Cc2ccc(F)c(OC)c2)CC1 ZINC000011753512 506793194 /nfs/dbraw/zinc/79/31/94/506793194.db2.gz CQVFHENDSOTXMW-UHFFFAOYSA-N 0 3 352.450 2.589 50 0 FFAAHN O=C(NC1CCCC1)c1cn([C@@H]2CCCN(Cc3ccccc3)C2)nn1 ZINC000012333133 506850577 /nfs/dbraw/zinc/85/05/77/506850577.db2.gz OKZCFUDDXRNCQL-GOSISDBHSA-N 0 3 353.470 2.788 50 0 FFAAHN Cc1c(CN2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cnn1C ZINC000019732956 507197049 /nfs/dbraw/zinc/19/70/49/507197049.db2.gz PGPQZIUPIYKXPO-NRFANRHFSA-N 0 3 371.504 2.654 50 0 FFAAHN Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000058081395 507370359 /nfs/dbraw/zinc/37/03/59/507370359.db2.gz DUPSGSPKPQBJJZ-HOCLYGCPSA-N 0 3 360.502 2.939 50 0 FFAAHN Cc1occc1C(=O)NCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000058185127 507382441 /nfs/dbraw/zinc/38/24/41/507382441.db2.gz WXLYTELXIKKKKI-IBGZPJMESA-N 0 3 369.465 2.580 50 0 FFAAHN C[C@H](CNC(=O)Nc1ccc(C(F)(F)F)cc1)CN1CCN(C)CC1 ZINC000058203265 507385714 /nfs/dbraw/zinc/38/57/14/507385714.db2.gz RRVHYXQMRHMVCV-CYBMUJFWSA-N 0 3 358.408 2.710 50 0 FFAAHN Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCCCCN2CCN(C)CC2)c1 ZINC000058229474 507392570 /nfs/dbraw/zinc/39/25/70/507392570.db2.gz GCFOXPJTWLRGDR-INIZCTEOSA-N 0 3 367.921 2.560 50 0 FFAAHN Cc1c(C(=O)N2CCCC2)nnn1-c1cccc2c1CCN(C(C)C)C2 ZINC000069923426 507585155 /nfs/dbraw/zinc/58/51/55/507585155.db2.gz RKUPADGHIZYJKM-UHFFFAOYSA-N 0 3 353.470 2.578 50 0 FFAAHN NS(=O)(=O)c1ccc(OCCN(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000027368261 507651679 /nfs/dbraw/zinc/65/16/79/507651679.db2.gz LYUFVILJCDITIL-UHFFFAOYSA-N 0 3 364.442 2.517 50 0 FFAAHN COCCN1CCC[C@]2(CCN(C(=O)Cc3cn(C)c4ccccc34)C2)C1 ZINC000072152521 507761387 /nfs/dbraw/zinc/76/13/87/507761387.db2.gz OEHXFZIQSRJQNC-QFIPXVFZSA-N 0 3 369.509 2.682 50 0 FFAAHN CCCc1nc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)cs1 ZINC000072151836 507761535 /nfs/dbraw/zinc/76/15/35/507761535.db2.gz JNTYUHYKVHVWBB-MSOLQXFVSA-N 0 3 371.506 2.644 50 0 FFAAHN CCC[C@H](Nc1nc(-c2ccccn2)nc2c1CCNC2)c1nccn1C ZINC000072165509 507767166 /nfs/dbraw/zinc/76/71/66/507767166.db2.gz XFGLOJJHRSAWAE-INIZCTEOSA-N 0 3 363.469 2.871 50 0 FFAAHN c1ccc([C@H]2CN(c3nnnn3-c3ccccc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072171222 507769266 /nfs/dbraw/zinc/76/92/66/507769266.db2.gz ITVYGIYFHGBZAR-NJDAHSKKSA-N 0 3 372.476 2.729 50 0 FFAAHN CC(C)(O)CCc1cccc(C(=O)N2CCCO[C@H](CN3CCCC3)C2)c1 ZINC000072424665 507788581 /nfs/dbraw/zinc/78/85/81/507788581.db2.gz FUFNCLHOWZUWQL-HXUWFJFHSA-N 0 3 374.525 2.717 50 0 FFAAHN CN(C)C(=O)c1ccc(N[C@@H]2CCCN(CCc3ccccc3)C2)nc1 ZINC000072428258 507789011 /nfs/dbraw/zinc/78/90/11/507789011.db2.gz VFQZSLFOSZYCOD-LJQANCHMSA-N 0 3 352.482 2.902 50 0 FFAAHN C[C@H](C1CCN(C(=O)Cc2ccc(F)c(Cl)c2)CC1)N1CCOCC1 ZINC000072469285 507794478 /nfs/dbraw/zinc/79/44/78/507794478.db2.gz FBCBVPIEGPMRRR-CQSZACIVSA-N 0 3 368.880 2.981 50 0 FFAAHN CN(C)c1ccc(CN2CC[C@]3(C2)CCCN(C2CCCC2)C3=O)cn1 ZINC000091617046 507996177 /nfs/dbraw/zinc/99/61/77/507996177.db2.gz UTAZCDCPPYQOFX-NRFANRHFSA-N 0 3 356.514 2.905 50 0 FFAAHN O=C1CC2(CN1Cc1ccc(F)c(F)c1)CCN(Cc1cnc[nH]1)CC2 ZINC000091626082 507997918 /nfs/dbraw/zinc/99/79/18/507997918.db2.gz VUYYVTCHNBMUKQ-UHFFFAOYSA-N 0 3 360.408 2.703 50 0 FFAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1ccccn1)CC2 ZINC000091793232 508013786 /nfs/dbraw/zinc/01/37/86/508013786.db2.gz KZOFFPMNGMMOKU-UHFFFAOYSA-N 0 3 353.470 2.594 50 0 FFAAHN Cc1nccn1Cc1nnc(C2CCN(Cc3ccccc3F)CC2)n1C ZINC000092061722 508038500 /nfs/dbraw/zinc/03/85/00/508038500.db2.gz AATKJKJLRDBXTC-UHFFFAOYSA-N 0 3 368.460 2.887 50 0 FFAAHN Cc1ncsc1C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2CC(C)C ZINC000092081111 508041230 /nfs/dbraw/zinc/04/12/30/508041230.db2.gz RXGSDTUKCPLVPP-UHFFFAOYSA-N 0 3 373.526 2.820 50 0 FFAAHN COc1ccc(CNC2=NCCN[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000075567165 508118099 /nfs/dbraw/zinc/11/80/99/508118099.db2.gz GNFXBGUGWYAKLX-LJQANCHMSA-N 0 3 355.438 2.545 50 0 FFAAHN C[C@H](C1CCN(C(=O)c2cccc3c2ccn3C)CC1)N1CCN(C)CC1 ZINC000095354273 508174953 /nfs/dbraw/zinc/17/49/53/508174953.db2.gz KBUCLNGMTQLFPM-QGZVFWFLSA-N 0 3 368.525 2.666 50 0 FFAAHN O=C(c1ccncc1F)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 ZINC000095371919 508179087 /nfs/dbraw/zinc/17/90/87/508179087.db2.gz UDXCMTXPCGJPRP-MAUKXSAKSA-N 0 3 365.452 2.925 50 0 FFAAHN Cc1ccc(F)cc1CN1CC[C@@]2(O)CCN(C(=O)C3CCC3)C[C@H]2C1 ZINC000095379673 508180702 /nfs/dbraw/zinc/18/07/02/508180702.db2.gz QCANNCKECZZPMY-WIYYLYMNSA-N 0 3 360.473 2.720 50 0 FFAAHN C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000095385905 508182273 /nfs/dbraw/zinc/18/22/73/508182273.db2.gz HVBLDLBXYXMSHC-KRWDZBQOSA-N 0 3 356.470 2.560 50 0 FFAAHN Cn1cc(CCC(=O)O[C@H]2CCN(Cc3ccc4c(c3)CCC4)C2)cn1 ZINC000095456233 508186582 /nfs/dbraw/zinc/18/65/82/508186582.db2.gz YPTQZZYMLAOOIG-FQEVSTJZSA-N 0 3 353.466 2.659 50 0 FFAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)[C@@H]2CCCCO2)cc1 ZINC000095501592 508190547 /nfs/dbraw/zinc/19/05/47/508190547.db2.gz CWBNRDKLFCDKDJ-NRFANRHFSA-N 0 3 374.525 2.977 50 0 FFAAHN CCOc1cccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)c1 ZINC000095519181 508194276 /nfs/dbraw/zinc/19/42/76/508194276.db2.gz YAYMDCRCUARTQH-GOSISDBHSA-N 0 3 370.497 2.863 50 0 FFAAHN COc1cc(C(=O)NCc2c(C)noc2C)ccc1OC1CCN(C)CC1 ZINC000095528483 508196336 /nfs/dbraw/zinc/19/63/36/508196336.db2.gz HTZVIYCKSNHOET-UHFFFAOYSA-N 0 3 373.453 2.703 50 0 FFAAHN CN1CC2(CCN(C(=O)c3ccc(CN4CCCCC4)cc3)CC2)OC1=O ZINC000095529425 508197202 /nfs/dbraw/zinc/19/72/02/508197202.db2.gz JSCIWIZOYQZGHR-UHFFFAOYSA-N 0 3 371.481 2.729 50 0 FFAAHN CN1CCCN(c2nc(C(F)(F)F)nc3cc4c(cc32)OCO4)CC1 ZINC000095948918 508198733 /nfs/dbraw/zinc/19/87/33/508198733.db2.gz OAHDJGJMLBHICO-UHFFFAOYSA-N 0 3 354.332 2.519 50 0 FFAAHN CS[C@H]1CN(C(=O)Nc2ccccc2-n2nc(C)cc2C)C[C@H]1N(C)C ZINC000095996483 508200790 /nfs/dbraw/zinc/20/07/90/508200790.db2.gz TUGVWROBPVINMS-MSOLQXFVSA-N 0 3 373.526 2.998 50 0 FFAAHN CC[C@H](OC1CCCC1)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000096006282 508202483 /nfs/dbraw/zinc/20/24/83/508202483.db2.gz KNIDOBPEFVGQJK-ICSRJNTNSA-N 0 3 360.498 2.607 50 0 FFAAHN O=C(NCc1cc2n(n1)CCCNC2)C1(c2ccc(Cl)cc2)CCC1 ZINC000082160388 508227627 /nfs/dbraw/zinc/22/76/27/508227627.db2.gz RLASDGVGHRBQPG-UHFFFAOYSA-N 0 3 358.873 2.768 50 0 FFAAHN O=C(c1cccc(Oc2cnccn2)c1)N1CCC[C@@H]1CN1CCCC1 ZINC000076587116 508227823 /nfs/dbraw/zinc/22/78/23/508227823.db2.gz IQEJIAXWUXYXJR-QGZVFWFLSA-N 0 3 352.438 2.969 50 0 FFAAHN CC(C)=CCC/C(C)=C/CN1CC[C@@H](NC(=O)c2ccncc2)[C@H](O)C1 ZINC000077428869 508314777 /nfs/dbraw/zinc/31/47/77/508314777.db2.gz RFDUHHUFGOQTJY-UVQNPWMRSA-N 0 3 357.498 2.939 50 0 FFAAHN CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1OCCc2ccccc21 ZINC000153396854 508579108 /nfs/dbraw/zinc/57/91/08/508579108.db2.gz OYLOPLMVTNQOQB-HXUWFJFHSA-N 0 3 354.450 2.596 50 0 FFAAHN C[C@@H](c1ccncc1)N(C)Cc1ccccc1OCCN1CCN(C)CC1 ZINC000215094037 509244156 /nfs/dbraw/zinc/24/41/56/509244156.db2.gz QPQRWXRAFQFMAG-IBGZPJMESA-N 0 3 368.525 2.901 50 0 FFAAHN Cc1cccc2cc(CN3CCCN(Cc4ccccn4)CC3)c(=O)[nH]c12 ZINC000215639086 509250879 /nfs/dbraw/zinc/25/08/79/509250879.db2.gz UBBQNDUJONCYJE-UHFFFAOYSA-N 0 3 362.477 2.939 50 0 FFAAHN Cc1n[nH]c(C)c1CCCN(C)Cc1ccc(Sc2nncn2C)o1 ZINC000216314060 509259200 /nfs/dbraw/zinc/25/92/00/509259200.db2.gz JBPBCALZIDTJLQ-UHFFFAOYSA-N 0 3 360.487 2.964 50 0 FFAAHN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000236748502 509496387 /nfs/dbraw/zinc/49/63/87/509496387.db2.gz WVOREBSZEWBELE-SECBINFHSA-N 0 3 355.287 2.798 50 0 FFAAHN COc1c[nH]c(CN2CCC[C@@]3(C4=CCOCC4)COCC[C@H]23)cc1=O ZINC000252484884 509840536 /nfs/dbraw/zinc/84/05/36/509840536.db2.gz GJYDKZDWSCPMPO-PMACEKPBSA-N 0 3 360.454 2.514 50 0 FFAAHN C[C@@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1nnc(N)s1 ZINC000244690835 509863908 /nfs/dbraw/zinc/86/39/08/509863908.db2.gz IXTRNFWLBMPYLQ-CYBMUJFWSA-N 0 3 359.499 2.600 50 0 FFAAHN COc1cc(NC(=O)CCN2CC[C@@](O)(c3ccccc3)C2)cc(OC)c1 ZINC000244898881 509876245 /nfs/dbraw/zinc/87/62/45/509876245.db2.gz ZDFNHTUDNLCPCQ-NRFANRHFSA-N 0 3 370.449 2.626 50 0 FFAAHN CO[C@@H]1CN(C2CCN(C(=O)CC3CCCCC3)CC2)C12CCOCC2 ZINC000257182813 509947786 /nfs/dbraw/zinc/94/77/86/509947786.db2.gz QDYPPNASRIEAMU-LJQANCHMSA-N 0 3 364.530 2.828 50 0 FFAAHN Cc1ccc(CNC(=O)[C@H](C)N2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000246102922 510295398 /nfs/dbraw/zinc/29/53/98/510295398.db2.gz IAXLKALBVPYNIM-HKUYNNGSSA-N 0 3 352.482 2.829 50 0 FFAAHN Cn1cc([C@@H]2CCCN2C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000194451318 510371682 /nfs/dbraw/zinc/37/16/82/510371682.db2.gz LQVVYSWQCVMESU-QUCCMNQESA-N 0 3 367.497 2.789 50 0 FFAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC000299764803 511673371 /nfs/dbraw/zinc/67/33/71/511673371.db2.gz LVLYDRDJTGZRMC-KRWDZBQOSA-N 0 3 365.477 2.804 50 0 FFAAHN CN(CC1CCN(c2ccncc2)CC1)c1nnc(-c2ccon2)s1 ZINC000367328582 512446660 /nfs/dbraw/zinc/44/66/60/512446660.db2.gz ZYFWPUPIUZNEEU-UHFFFAOYSA-N 0 3 356.455 2.941 50 0 FFAAHN Cc1nccn1CCN(C)C(=O)NCCN1CC[C@H](c2ccccc2C)C1 ZINC000426408909 513932079 /nfs/dbraw/zinc/93/20/79/513932079.db2.gz IEOWKAMZXMZQJN-IBGZPJMESA-N 0 3 369.513 2.631 50 0 FFAAHN O=C(NCCN1CCCCC1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000426487888 513954468 /nfs/dbraw/zinc/95/44/68/513954468.db2.gz GNPIGQVSOVYWIS-UHFFFAOYSA-N 0 3 365.905 2.819 50 0 FFAAHN CC(C)c1noc(CN(C)C(=O)c2ccc(-c3cnccc3N)cc2)n1 ZINC000426487960 513954982 /nfs/dbraw/zinc/95/49/82/513954982.db2.gz ILTSMPFWZKLFCJ-UHFFFAOYSA-N 0 3 351.410 2.940 50 0 FFAAHN OCCn1ccc([C@@H]2CCCN(Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000426503460 513962081 /nfs/dbraw/zinc/96/20/81/513962081.db2.gz HCGIXCRQIPUGGG-LJQANCHMSA-N 0 3 363.465 2.712 50 0 FFAAHN O=C(NCc1nnc(-c2ccccc2)o1)N1CCN(C2CCCCC2)CC1 ZINC000426599503 513991564 /nfs/dbraw/zinc/99/15/64/513991564.db2.gz GAMAYQVLGGWYCM-UHFFFAOYSA-N 0 3 369.469 2.897 50 0 FFAAHN CO[C@]12CCN(Cc3c(C)cnn3C)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426634149 514000892 /nfs/dbraw/zinc/00/08/92/514000892.db2.gz HVVZZILCEUWJEX-XKGZKEIXSA-N 0 3 356.470 2.715 50 0 FFAAHN CCCN(Cc1nccn1C)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000426668363 514010772 /nfs/dbraw/zinc/01/07/72/514010772.db2.gz NMRFBQGELPCXCW-LJQANCHMSA-N 0 3 369.513 2.864 50 0 FFAAHN CNS(=O)(=O)c1cccc([C@@H](C)NC[C@H]2CCC3(CCCC3)O2)c1 ZINC000530411466 517760548 /nfs/dbraw/zinc/76/05/48/517760548.db2.gz RLYDTWVOUFHVKE-GDBMZVCRSA-N 0 3 352.500 2.737 50 0 FFAAHN CN(C)[C@@H]1C[C@H]2C(=O)Nc3ccc(-c4ccc(F)cc4)cc3C(=O)N2C1 ZINC000534631783 517973256 /nfs/dbraw/zinc/97/32/56/517973256.db2.gz ZRDZXNQHLIQYMB-QAPCUYQASA-N 0 3 353.397 2.590 50 0 FFAAHN CCc1nc(C)sc1CNC(=O)N1CCC(N2CCSCC2)CC1 ZINC000584889878 518525280 /nfs/dbraw/zinc/52/52/80/518525280.db2.gz FYTSTNNOVFGCPW-UHFFFAOYSA-N 0 3 368.572 2.737 50 0 FFAAHN COc1c(N)ccnc1-c1ccc(C(=O)NCCC[C@@H]2CCOC2)cc1 ZINC000584891315 518526804 /nfs/dbraw/zinc/52/68/04/518526804.db2.gz PNXACBGNXNHAHH-CQSZACIVSA-N 0 3 355.438 2.886 50 0 FFAAHN O=c1c2sc(-c3ccc(F)cc3)cc2ncn1C1CCN(CCO)CC1 ZINC000584900126 518530833 /nfs/dbraw/zinc/53/08/33/518530833.db2.gz NYVMAXZEBMSMON-UHFFFAOYSA-N 0 3 373.453 2.893 50 0 FFAAHN COc1ncnc(C)c1-c1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc1 ZINC000584900152 518531022 /nfs/dbraw/zinc/53/10/22/518531022.db2.gz VJFPICTVRGJWNR-ZWKOTPCHSA-N 0 3 366.465 2.769 50 0 FFAAHN CCCc1cc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)[nH]n1 ZINC000091626333 521353879 /nfs/dbraw/zinc/35/38/79/521353879.db2.gz HSNCRFHOPJFICZ-UHFFFAOYSA-N 0 3 352.482 2.678 50 0 FFAAHN CCOc1ccccc1CN1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082161668 521484785 /nfs/dbraw/zinc/48/47/85/521484785.db2.gz JVWYYRFIYBBFLS-OAQYLSRUSA-N 0 3 360.498 2.672 50 0 FFAAHN CCOC(=O)Cc1cnc(NC(=O)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000594369248 521578321 /nfs/dbraw/zinc/57/83/21/521578321.db2.gz GQSOEFJLFCVSFE-HNNXBMFYSA-N 0 3 373.478 2.709 50 0 FFAAHN CCN1CCC[C@@H](NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000242288001 521621896 /nfs/dbraw/zinc/62/18/96/521621896.db2.gz YKGYPPPLFIGAJO-HUUCEWRRSA-N 0 3 366.456 2.575 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)c1nc(-c2ccc(OC(C)C)cc2)no1 ZINC000020726038 521639102 /nfs/dbraw/zinc/63/91/02/521639102.db2.gz JROLYBASMAJUTQ-OAHLLOKOSA-N 0 3 358.442 2.738 50 0 FFAAHN CN(Cc1ccccc1)CC(C)(C)NCC(=O)NCc1ccc(F)cc1 ZINC000089761686 523341679 /nfs/dbraw/zinc/34/16/79/523341679.db2.gz OSLJAIXSCAVVEP-UHFFFAOYSA-N 0 3 357.473 2.942 50 0 FFAAHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccnc(OCc2ccccc2)c1 ZINC000241720859 524572189 /nfs/dbraw/zinc/57/21/89/524572189.db2.gz QSWHHYJWDPWQHX-HNAYVOBHSA-N 0 3 351.450 2.873 50 0 FFAAHN Cc1ccc([C@H](O)CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000084148683 525975910 /nfs/dbraw/zinc/97/59/10/525975910.db2.gz REYLDHBQNRCCNW-DNVCBOLYSA-N 0 3 362.495 2.630 50 0 FFAAHN Cc1nnc(SCC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)o1 ZINC000091439840 526379181 /nfs/dbraw/zinc/37/91/81/526379181.db2.gz KMWYAXBYIQUUMF-DLBZAZTESA-N 0 3 372.494 2.593 50 0 FFAAHN Cc1nc([C@H]2CCCN(Cc3cnc(NCc4ccccc4)nc3)C2)n[nH]1 ZINC000216369253 527076870 /nfs/dbraw/zinc/07/68/70/527076870.db2.gz AFFLEJYJGZQJHO-SFHVURJKSA-N 0 3 363.469 2.895 50 0 FFAAHN Cc1n[nH]c([C@H]2CCCN(Cc3cnc(NCc4ccccc4)nc3)C2)n1 ZINC000216369253 527076875 /nfs/dbraw/zinc/07/68/75/527076875.db2.gz AFFLEJYJGZQJHO-SFHVURJKSA-N 0 3 363.469 2.895 50 0 FFAAHN Cc1nnc([C@H]2CCCN(Cc3cnc(NCc4ccccc4)nc3)C2)[nH]1 ZINC000216369253 527076881 /nfs/dbraw/zinc/07/68/81/527076881.db2.gz AFFLEJYJGZQJHO-SFHVURJKSA-N 0 3 363.469 2.895 50 0 FFAAHN Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(-c3cc[nH]n3)s2)CC1 ZINC000214952746 527466745 /nfs/dbraw/zinc/46/67/45/527466745.db2.gz XDWQCLDTQYFORH-QGZVFWFLSA-N 0 3 357.483 2.817 50 0 FFAAHN CCC[NH2+]Cc1cc(=O)n2nc(NCc3ccc(C(C)C)cc3)[n-]c2n1 ZINC000101796802 570823846 /nfs/dbraw/zinc/82/38/46/570823846.db2.gz ZTQHVFLPGWQLDM-UHFFFAOYSA-N 0 3 354.458 2.653 50 0 FFAAHN CCN(C1CCN(Cc2cc(C)nc3ccccc23)CC1)S(C)(=O)=O ZINC000124759239 728674189 /nfs/dbraw/zinc/67/41/89/728674189.db2.gz SAUKBQUDOYINAP-UHFFFAOYSA-N 0 3 361.511 2.789 50 0 FFAAHN Cc1ccc(C(=O)NC2CCN(C3CCCC3)CC2)cc1S(C)(=O)=O ZINC000177409092 729136033 /nfs/dbraw/zinc/13/60/33/729136033.db2.gz XKSJIHNWULWHGA-UHFFFAOYSA-N 0 3 364.511 2.535 50 0 FFAAHN COc1cc(C)ccc1OCCN1CCN(C2CCSCC2)CC1 ZINC000252479859 729624573 /nfs/dbraw/zinc/62/45/73/729624573.db2.gz BNZROGWWDHCFCY-UHFFFAOYSA-N 0 3 350.528 2.896 50 0 FFAAHN c1cncc(CN2CCC(N3C[C@@H](OCC4CC4)C34CCOCC4)CC2)c1 ZINC000581802170 971103599 /nfs/dbraw/zinc/10/35/99/971103599.db2.gz GZDNADLFGVPCID-OAQYLSRUSA-N 0 3 371.525 2.706 50 0 FFAAHN CCN1CCCn2nc([C@@H]3CCCN(Cc4scnc4C)C3)cc2C1=O ZINC000675009014 971479605 /nfs/dbraw/zinc/47/96/05/971479605.db2.gz CGWYJMCYAAMNED-OAHLLOKOSA-N 0 3 373.526 2.893 50 0 FFAAHN CCN1CCCn2nc([C@H]3CCCN(Cc4ccccn4)C3)cc2C1=O ZINC000675010759 971485585 /nfs/dbraw/zinc/48/55/85/971485585.db2.gz XIJUQUHHYXKORG-INIZCTEOSA-N 0 3 353.470 2.524 50 0 FFAAHN CCn1ncc(CN2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)c1C ZINC000011813555 987447120 /nfs/dbraw/zinc/44/71/20/987447120.db2.gz AQMABLPVWXXHAO-MRXNPFEDSA-N 0 3 358.461 2.993 50 0 FFAAHN COc1ccccc1CN1CCC2(CC1)CN(C(=O)c1cc[nH]c1)CCO2 ZINC000824820294 999265076 /nfs/dbraw/zinc/26/50/76/999265076.db2.gz YZPXHTUNJWUJCK-UHFFFAOYSA-N 0 3 369.465 2.531 50 0 FFAAHN CCCNC(=O)N1CCC(Cc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000581810393 999948731 /nfs/dbraw/zinc/94/87/31/999948731.db2.gz QMMHILNNNJZIMM-UHFFFAOYSA-N 0 3 372.557 2.808 50 0 FFAAHN C[C@@H]1CN(c2nc3c(cnn3C)c(=O)[nH]2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000585090435 1008339858 /nfs/dbraw/zinc/33/98/58/1008339858.db2.gz NDNCKNRPLWRPRF-QLFBSQMISA-N 0 3 366.469 2.557 50 0 FFAAHN Cc1sc2[nH]c(CCNCc3cccc4nonc43)nc(=O)c2c1C ZINC000952871985 1011005260 /nfs/dbraw/zinc/00/52/60/1011005260.db2.gz FWVUPUNFDHDLKP-UHFFFAOYSA-N 0 3 355.423 2.882 50 0 FFAAHN c1cn(-c2ccccc2CNCc2cnc(NC[C@@H]3CCCO3)nc2)cn1 ZINC000952960453 1011012247 /nfs/dbraw/zinc/01/22/47/1011012247.db2.gz YPUGULYKLPVFGP-SFHVURJKSA-N 0 3 364.453 2.543 50 0 FFAAHN COc1cccc([C@H](O)CN2CCC(c3nnc4ccccn43)CC2)c1 ZINC000115532658 1011500921 /nfs/dbraw/zinc/50/09/21/1011500921.db2.gz JDLIQPACYWJWDW-GOSISDBHSA-N 0 3 352.438 2.651 50 0 FFAAHN CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCC[C@H]1CCCN1C ZINC001506411616 1059500389 /nfs/dbraw/zinc/50/03/89/1059500389.db2.gz RQMJXOROEJVXBB-CYBMUJFWSA-N 0 3 360.907 2.810 50 0 FFAAHN CN(C)c1ccc(C(=O)NCC2(c3ccccc3)CCN(C)CC2)cn1 ZINC000299760867 529776592 /nfs/dbraw/zinc/77/65/92/529776592.db2.gz RULXBHRPQBDDFD-UHFFFAOYSA-N 0 3 352.482 2.541 50 0 FFAAHN Cc1cc(=O)cc(C(=O)N(C)CC2CCN(Cc3ccccc3)CC2)n1C ZINC000299766742 223086715 /nfs/dbraw/zinc/08/67/15/223086715.db2.gz KYBPIOIITZMLIJ-UHFFFAOYSA-N 0 3 367.493 2.678 50 0 FFAAHN O=C(Nc1ccccc1OCCCc1ccccc1)N[C@@H]1CNCC[C@H]1O ZINC000299797324 223102265 /nfs/dbraw/zinc/10/22/65/223102265.db2.gz NJDIXWRYKRLOAH-RTBURBONSA-N 0 3 369.465 2.543 50 0 FFAAHN Cc1ncc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)s1 ZINC000012474684 219999614 /nfs/dbraw/zinc/99/96/14/219999614.db2.gz JZAPNPFJVHBUFU-MRXNPFEDSA-N 0 3 351.516 2.739 50 0 FFAAHN C[C@@H]1CN(C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000013153919 220061496 /nfs/dbraw/zinc/06/14/96/220061496.db2.gz UYCQSPPQIKEXDZ-GASCZTMLSA-N 0 3 366.889 2.819 50 0 FFAAHN COCCN1CCC[C@]2(CCN(Cc3ccc(F)cc3Cl)C2)C1=O ZINC000014961936 220136437 /nfs/dbraw/zinc/13/64/37/220136437.db2.gz MXLDREMOKQTGDZ-GOSISDBHSA-N 0 3 354.853 2.940 50 0 FFAAHN CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1ccsc1)C2 ZINC000014747072 220132319 /nfs/dbraw/zinc/13/23/19/220132319.db2.gz GIEPXQJVDLPDOK-OAHLLOKOSA-N 0 3 358.511 2.848 50 0 FFAAHN CC(C)C[C@H]1NC(=O)[C@@H]2C[C@H](NCc3ccc(C(C)(C)C)cc3)CN2C1=O ZINC000014749322 220132393 /nfs/dbraw/zinc/13/23/93/220132393.db2.gz XBYMJPYCBYYKRA-OTWHNJEPSA-N 0 3 371.525 2.588 50 0 FFAAHN CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H](N(C)Cc1ccco1)C2 ZINC000014744079 220132420 /nfs/dbraw/zinc/13/24/20/220132420.db2.gz KJHWPMVOLLSJFY-HNNXBMFYSA-N 0 3 358.486 2.823 50 0 FFAAHN CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1ccco1)C2 ZINC000014747043 220132930 /nfs/dbraw/zinc/13/29/30/220132930.db2.gz YPSQZNGWBVGWMA-HNNXBMFYSA-N 0 3 356.470 2.769 50 0 FFAAHN Cc1ccnn1CCC(=O)N(CCc1ccccc1)CC1CCN(C)CC1 ZINC000015075240 220145875 /nfs/dbraw/zinc/14/58/75/220145875.db2.gz RANCKODUDNBHDN-UHFFFAOYSA-N 0 3 368.525 2.995 50 0 FFAAHN CC[C@@H]1CCCCN1CC(=O)NCc1cc(OC)c(OC)cc1OC ZINC000016334131 220182287 /nfs/dbraw/zinc/18/22/87/220182287.db2.gz BITYVPSHLBDTMG-OAHLLOKOSA-N 0 3 350.459 2.593 50 0 FFAAHN CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000016604735 220187631 /nfs/dbraw/zinc/18/76/31/220187631.db2.gz DMGGFLLHKXOOIW-GFCCVEGCSA-N 0 3 355.276 2.817 50 0 FFAAHN C[C@H](NCC1(N2CCOCC2)CCCCC1)C(=O)N1CCc2ccccc21 ZINC000022039418 220375322 /nfs/dbraw/zinc/37/53/22/220375322.db2.gz GVZJFPNZXNBHRX-SFHVURJKSA-N 0 3 371.525 2.589 50 0 FFAAHN CN(C)Cc1ccccc1CNC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000022318522 220382256 /nfs/dbraw/zinc/38/22/56/220382256.db2.gz WFCIBUVBJMTCJW-QGZVFWFLSA-N 0 3 365.477 2.956 50 0 FFAAHN c1cc(CNC2CCN(Cc3ccncc3)CC2)c2c(c1)OCCCO2 ZINC000048341049 221008680 /nfs/dbraw/zinc/00/86/80/221008680.db2.gz QMZGNBSEDOXXEB-UHFFFAOYSA-N 0 3 353.466 2.997 50 0 FFAAHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(NC(=O)C2CCC2)cc1 ZINC000055036826 221057814 /nfs/dbraw/zinc/05/78/14/221057814.db2.gz AEXADWQMWQODRK-IBGZPJMESA-N 0 3 373.497 2.608 50 0 FFAAHN Cc1c(CN[C@H](CN(C)C)c2ccccc2)c2ccccc2n1CC(N)=O ZINC000055307646 221065924 /nfs/dbraw/zinc/06/59/24/221065924.db2.gz ICUKYZBZAOOHKE-HXUWFJFHSA-N 0 3 364.493 2.828 50 0 FFAAHN Cc1noc2nc(C)cc(C(=O)NC[C@H](Cc3ccccc3)N(C)C)c12 ZINC000054463133 221052839 /nfs/dbraw/zinc/05/28/39/221052839.db2.gz NOHXVZNXATZAJR-INIZCTEOSA-N 0 3 352.438 2.742 50 0 FFAAHN CCCn1nc(C)c(CNCc2c(C)n(CC(N)=O)c3ccccc32)c1C ZINC000055414655 221069734 /nfs/dbraw/zinc/06/97/34/221069734.db2.gz VSLIVPSGFKVRRT-UHFFFAOYSA-N 0 3 367.497 2.948 50 0 FFAAHN CCCCN1CCCC[C@H]1CNC(=O)c1ccc(Cn2cncn2)cc1 ZINC000058169147 221102852 /nfs/dbraw/zinc/10/28/52/221102852.db2.gz OHJVMJJZWNACNV-IBGZPJMESA-N 0 3 355.486 2.711 50 0 FFAAHN COc1ccccc1C1(CN[C@H](C)C(=O)Nc2cc(C)no2)CCOCC1 ZINC000058202139 221106068 /nfs/dbraw/zinc/10/60/68/221106068.db2.gz CLNFHWULXHNAES-OAHLLOKOSA-N 0 3 373.453 2.657 50 0 FFAAHN COc1ccccc1C1(C[NH2+][C@H](C)C(=O)[N-]c2cc(C)no2)CCOCC1 ZINC000058202139 221106071 /nfs/dbraw/zinc/10/60/71/221106071.db2.gz CLNFHWULXHNAES-OAHLLOKOSA-N 0 3 373.453 2.657 50 0 FFAAHN O=C(CCN1CCC(c2nc3ccccc3s2)CC1)N1CCOCC1 ZINC000059001639 221123880 /nfs/dbraw/zinc/12/38/80/221123880.db2.gz HVYCVDKWBGTMEQ-UHFFFAOYSA-N 0 3 359.495 2.725 50 0 FFAAHN CCC(=O)N1CCC[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000058323493 221114959 /nfs/dbraw/zinc/11/49/59/221114959.db2.gz DHLSVSBQLBMIHP-WOJBJXKFSA-N 0 3 371.525 2.663 50 0 FFAAHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1ccn(CCc2ccccn2)n1 ZINC000058425817 221119004 /nfs/dbraw/zinc/11/90/04/221119004.db2.gz DIPRLLHAQJGNPK-AUUYWEPGSA-N 0 3 364.405 2.688 50 0 FFAAHN O=C(NCc1ccncc1)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1 ZINC000065256231 221189032 /nfs/dbraw/zinc/18/90/32/221189032.db2.gz BKFVIVPWRNLQQE-FQEVSTJZSA-N 0 3 373.460 2.558 50 0 FFAAHN CN(C)CCOc1ccccc1C(=O)NCc1ccc(-c2cc[nH]n2)cc1 ZINC000065578499 221234123 /nfs/dbraw/zinc/23/41/23/221234123.db2.gz WUPLYXLGCIUKRW-UHFFFAOYSA-N 0 3 364.449 2.947 50 0 FFAAHN O=C(Nc1ccc[nH]c1=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000065475744 221224289 /nfs/dbraw/zinc/22/42/89/221224289.db2.gz CKMHYBXODZWPNQ-KRWDZBQOSA-N 0 3 365.355 2.768 50 0 FFAAHN CCN(C(=O)CCN1CCN(C2CCOCC2)CC1)c1ccccc1C ZINC000065493382 221225764 /nfs/dbraw/zinc/22/57/64/221225764.db2.gz VCGORZKNPWHSRT-UHFFFAOYSA-N 0 3 359.514 2.535 50 0 FFAAHN CCn1ncnc1NC(=O)c1cccc(CN(C)[C@@H]2CCOC(C)(C)C2)c1 ZINC000065530949 221230532 /nfs/dbraw/zinc/23/05/32/221230532.db2.gz CGIRLOZADDMZFL-QGZVFWFLSA-N 0 3 371.485 2.940 50 0 FFAAHN CCc1nn(C)c(NC(=O)c2cccc(CN3CCCN(C)CC3)c2)c1C ZINC000065532338 221230839 /nfs/dbraw/zinc/23/08/39/221230839.db2.gz OXRIUOZQRNUTTQ-UHFFFAOYSA-N 0 3 369.513 2.681 50 0 FFAAHN CCc1ccc2occ(CC(=O)N3CCN(C)C4(CCN(C)CC4)C3)c2c1 ZINC000067435103 221254046 /nfs/dbraw/zinc/25/40/46/221254046.db2.gz MKSULDXHEVAKGB-UHFFFAOYSA-N 0 3 369.509 2.776 50 0 FFAAHN FC(F)(F)c1cnc([C@H]2CCCN(Cc3cnc4cnccn34)C2)[nH]1 ZINC000278736318 256343038 /nfs/dbraw/zinc/34/30/38/256343038.db2.gz QYFUNBFVAALUIA-NSHDSACASA-N 0 3 350.348 2.851 50 0 FFAAHN Cn1cc(-c2ccc(C(=O)N3CCCN(C4CCCCC4)CC3)cn2)cn1 ZINC000067654768 221267070 /nfs/dbraw/zinc/26/70/70/221267070.db2.gz BTZWUJKKYJXEAH-UHFFFAOYSA-N 0 3 367.497 2.963 50 0 FFAAHN CCN(C[C@@H]1CCN(C)C1)C(=O)c1coc(COc2ccccc2F)n1 ZINC000067673628 221267410 /nfs/dbraw/zinc/26/74/10/221267410.db2.gz WKAIWZXAFNOTEJ-CQSZACIVSA-N 0 3 361.417 2.807 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N3CCc4ccccc4C3)cnn2c1 ZINC000067694533 221273390 /nfs/dbraw/zinc/27/33/90/221273390.db2.gz SJBNALMOXLNHLX-UHFFFAOYSA-N 0 3 363.465 2.770 50 0 FFAAHN c1ccc2[nH]c(CCNc3nc(-c4ccncc4)nc4c3CCNC4)nc2c1 ZINC000067772947 221283126 /nfs/dbraw/zinc/28/31/26/221283126.db2.gz YGUAFRAOMOPXJP-UHFFFAOYSA-N 0 3 371.448 2.715 50 0 FFAAHN CN1CCCN(c2ncccc2CNC(=O)c2c[nH]c3ccccc23)CC1 ZINC000067803083 221287219 /nfs/dbraw/zinc/28/72/19/221287219.db2.gz NONHXJZKLSKIQF-UHFFFAOYSA-N 0 3 363.465 2.635 50 0 FFAAHN CCc1c2ccccc2[nH]c1C(=O)N1CCN(C)C2(CCN(C)CC2)C1 ZINC000067855802 221296364 /nfs/dbraw/zinc/29/63/64/221296364.db2.gz RAWAXFHQZQSLTQ-UHFFFAOYSA-N 0 3 354.498 2.582 50 0 FFAAHN Cc1ccccc1O[C@H](C(=O)N1CCC2(CC1)CN(C)CCN2C)C(C)C ZINC000067886674 221300755 /nfs/dbraw/zinc/30/07/55/221300755.db2.gz YOTKDOWRMGBSPL-FQEVSTJZSA-N 0 3 373.541 2.637 50 0 FFAAHN Cc1cccc(CNC[C@]2(O)CCCN(CCc3ccccc3)C2=O)c1 ZINC000067982991 221311907 /nfs/dbraw/zinc/31/19/07/221311907.db2.gz GXLBIIHSDVEAOO-JOCHJYFZSA-N 0 3 352.478 2.681 50 0 FFAAHN CC[C@@H]1CN(C(=O)c2coc(COc3ccc(F)cc3Cl)n2)CCN1 ZINC000067895319 221302806 /nfs/dbraw/zinc/30/28/06/221302806.db2.gz WSNDEEWSTVHOHY-GFCCVEGCSA-N 0 3 367.808 2.870 50 0 FFAAHN Cc1c(C(=O)N2CCCC2)nnn1-c1cccc2c1CCN(CC1CC1)C2 ZINC000069897102 221327930 /nfs/dbraw/zinc/32/79/30/221327930.db2.gz AEVNIMWMPAZWAD-UHFFFAOYSA-N 0 3 365.481 2.580 50 0 FFAAHN O=C(c1ccc(CO)cc1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071682227 221353898 /nfs/dbraw/zinc/35/38/98/221353898.db2.gz BPMHMXKOCDUAHD-BHDDXSALSA-N 0 3 362.473 2.881 50 0 FFAAHN COCCCN(C(=O)c1cccc(-c2cnccn2)c1)C1CCN(C)CC1 ZINC000299796836 533275905 /nfs/dbraw/zinc/27/59/05/533275905.db2.gz OQBLKWKLLZPLPE-UHFFFAOYSA-N 0 3 368.481 2.717 50 0 FFAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1cc(C)ccn1)C2 ZINC000095383972 132209838 /nfs/dbraw/zinc/20/98/38/132209838.db2.gz SDYRKYXYHBVPMH-SBHAEUEKSA-N 0 3 359.514 2.734 50 0 FFAAHN CN(C)c1cc(N2CCN(C(=O)c3cccc4ccccc43)CC2)cnn1 ZINC000206723814 132267850 /nfs/dbraw/zinc/26/78/50/132267850.db2.gz FWFSVCDOHCVXMO-UHFFFAOYSA-N 0 3 361.449 2.658 50 0 FFAAHN OC1CCN(c2nc3cc(F)ccc3cc2CNC[C@H]2CCCO2)CC1 ZINC000299777599 132299108 /nfs/dbraw/zinc/29/91/08/132299108.db2.gz FIKPAAYOIKREOR-GOSISDBHSA-N 0 3 359.445 2.604 50 0 FFAAHN Cc1cc(C)cc(N2CCC(N3CC[C@H]4[C@H](C3)OCc3cnnn34)CC2)c1 ZINC000299783037 132299499 /nfs/dbraw/zinc/29/94/99/132299499.db2.gz NGESNVFQTXHJHJ-SFTDATJTSA-N 0 3 367.497 2.710 50 0 FFAAHN Cc1c(CN2CCN(c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000023282055 136152520 /nfs/dbraw/zinc/15/25/20/136152520.db2.gz QLEXDDMKBJOJDL-UHFFFAOYSA-N 0 3 362.477 2.807 50 0 FFAAHN C[C@H]1CCCN(C(=O)CCN2CCC3(CC2)Nc2ccccc2NC3=O)C1 ZINC000082157591 221708611 /nfs/dbraw/zinc/70/86/11/221708611.db2.gz DRPHUMUMQMEHLO-INIZCTEOSA-N 0 3 370.497 2.534 50 0 FFAAHN CSCCN1CCC(NC(=O)c2cnc(Nc3ccccc3)nc2)CC1 ZINC000096151408 222054041 /nfs/dbraw/zinc/05/40/41/222054041.db2.gz LYQAKUGPDOJOIZ-UHFFFAOYSA-N 0 3 371.510 2.777 50 0 FFAAHN O=C(/C=C\c1cc(Cl)c2c(c1)OCCO2)NCCN1CCCCC1 ZINC000096401599 222119553 /nfs/dbraw/zinc/11/95/53/222119553.db2.gz FLXPXEIBHNPGDC-PLNGDYQASA-N 0 3 350.846 2.727 50 0 FFAAHN OC[C@@H]1CN(Cc2c[nH]cn2)CCC12CCN(Cc1cccc(F)c1)CC2 ZINC000097553318 222190742 /nfs/dbraw/zinc/19/07/42/222190742.db2.gz FOAYRJTVPQFUGG-SFHVURJKSA-N 0 3 372.488 2.645 50 0 FFAAHN CCn1nc(CC(C)C)cc1C(=O)N1CCC(N2CCSCC2)CC1 ZINC000097527896 222188259 /nfs/dbraw/zinc/18/82/59/222188259.db2.gz ZQGZSMAJGFUCAN-UHFFFAOYSA-N 0 3 364.559 2.755 50 0 FFAAHN Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000097713540 222207286 /nfs/dbraw/zinc/20/72/86/222207286.db2.gz LALVGOVTGZLMST-GJZGRUSLSA-N 0 3 365.840 2.715 50 0 FFAAHN COc1cccc(OC)c1CN1CCN(CCC(C)C)[C@H](CCO)C1 ZINC000104336751 222355602 /nfs/dbraw/zinc/35/56/02/222355602.db2.gz IIHUEOOJGLLJDR-QGZVFWFLSA-N 0 3 350.503 2.619 50 0 FFAAHN CCCn1c(CNC(C)(C)CC)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000032538186 506264529 /nfs/dbraw/zinc/26/45/29/506264529.db2.gz YVMVDUHQPMLQRX-UHFFFAOYSA-N 0 3 366.531 2.975 50 0 FFAAHN O=C(NCc1cccnc1)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065255895 506276067 /nfs/dbraw/zinc/27/60/67/506276067.db2.gz KCAQNRHRKJLZMW-FQEVSTJZSA-N 0 3 373.460 2.558 50 0 FFAAHN Cc1cc(=O)oc2cc(OC[C@H](O)CN3CCc4ccccc4C3)ccc12 ZINC000003232092 506315045 /nfs/dbraw/zinc/31/50/45/506315045.db2.gz UIPMSQJDVSMQLR-GOSISDBHSA-N 0 3 365.429 2.899 50 0 FFAAHN COc1ccc(CCN[C@H](C)C(=O)N2CCc3ccccc32)cc1OC ZINC000003338970 506323625 /nfs/dbraw/zinc/32/36/25/506323625.db2.gz MLROSYJJRYTFLA-OAHLLOKOSA-N 0 3 354.450 2.814 50 0 FFAAHN CCn1nc(-c2ccc(OC)cc2F)cc1C(=O)NCCN1CCCCC1 ZINC000034903698 506371845 /nfs/dbraw/zinc/37/18/45/506371845.db2.gz GUXBFUNSZZYNCG-UHFFFAOYSA-N 0 3 374.460 2.933 50 0 FFAAHN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCN[C@@H](c2cccc(Cl)c2)C1 ZINC000366913110 512246693 /nfs/dbraw/zinc/24/66/93/512246693.db2.gz RDWLXLYHYGKPPS-QGZVFWFLSA-N 0 3 367.840 2.912 50 0 FFAAHN O=C(NCCO)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004691270 506388318 /nfs/dbraw/zinc/38/83/18/506388318.db2.gz JCTMMOMMAFJHAC-UHFFFAOYSA-N 0 3 368.477 2.586 50 0 FFAAHN Cc1ccc(-c2nnc(CCC(=O)NCCN3CCCC[C@@H]3C)o2)cc1 ZINC000040107550 506468948 /nfs/dbraw/zinc/46/89/48/506468948.db2.gz GBJYZWJPMYGTND-INIZCTEOSA-N 0 3 356.470 2.968 50 0 FFAAHN Cc1ccc(C)c(Oc2ccc(CNC(=O)C(C)S(C)(=O)=O)cn2)c1 ZINC000040142285 506471965 /nfs/dbraw/zinc/47/19/65/506471965.db2.gz JXQAAOJUOVCITN-AWEZNQCLSA-N 0 3 362.451 2.540 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000007724497 506583766 /nfs/dbraw/zinc/58/37/66/506583766.db2.gz BYDUGASZNYJIDG-LJQANCHMSA-N 0 3 366.461 2.897 50 0 FFAAHN O=C(NC[C@@H]1CCCO1)c1oc2ccccc2c1CNC[C@@H]1CCCO1 ZINC000008344188 506644462 /nfs/dbraw/zinc/64/44/62/506644462.db2.gz DGGSICPJGRDJAF-GJZGRUSLSA-N 0 3 358.438 2.610 50 0 FFAAHN COc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc(OC)c1OC ZINC000010328040 506738119 /nfs/dbraw/zinc/73/81/19/506738119.db2.gz SASTWYYCGXCCFM-INIZCTEOSA-N 0 3 358.438 2.745 50 0 FFAAHN C[C@@H](O)CCN1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000012314054 506846467 /nfs/dbraw/zinc/84/64/67/506846467.db2.gz GRJVFOGRDMYJBA-QGZVFWFLSA-N 0 3 360.498 2.927 50 0 FFAAHN COc1ccccc1N1CCN(c2ncccc2CNCC2CC2)CC1 ZINC000012306091 506847466 /nfs/dbraw/zinc/84/74/66/506847466.db2.gz MCQHOIDKOQTOPZ-UHFFFAOYSA-N 0 3 352.482 2.916 50 0 FFAAHN CCOC(=O)C1(CCOC)CCN([C@@H](C)Cn2nc(C)cc2C)CC1 ZINC000012387668 506856983 /nfs/dbraw/zinc/85/69/83/506856983.db2.gz NTZMAHIYEPIFRT-KRWDZBQOSA-N 0 3 351.491 2.570 50 0 FFAAHN CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000025421113 507498427 /nfs/dbraw/zinc/49/84/27/507498427.db2.gz RDZHFKVNWUJSMJ-WMZOPIPTSA-N 0 3 373.522 2.922 50 0 FFAAHN O=C(NCc1ccc(N2CCCCCC2)nc1)N1CCCN(C2CC2)CC1 ZINC000070012236 507600941 /nfs/dbraw/zinc/60/09/41/507600941.db2.gz ODWRHSVGELQLKD-UHFFFAOYSA-N 0 3 371.529 2.842 50 0 FFAAHN Cc1ncc(CO)c(CN(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1[O-] ZINC000072124085 507751389 /nfs/dbraw/zinc/75/13/89/507751389.db2.gz YVRFXDQMLPYCFN-HXUWFJFHSA-N 0 3 369.509 2.727 50 0 FFAAHN Cc1ncc(CO)c(CN(C)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c1[O-] ZINC000072124085 507751392 /nfs/dbraw/zinc/75/13/92/507751392.db2.gz YVRFXDQMLPYCFN-HXUWFJFHSA-N 0 3 369.509 2.727 50 0 FFAAHN CN1CCCN(c2cnn(Cc3ccc(C(C)(C)C)cc3)c(=O)c2)CC1 ZINC000072152974 507761820 /nfs/dbraw/zinc/76/18/20/507761820.db2.gz YPKWKBHSPDTOFG-UHFFFAOYSA-N 0 3 354.498 2.731 50 0 FFAAHN COc1cccc([C@@H]2CN(Cc3cccnc3N)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072162615 507765018 /nfs/dbraw/zinc/76/50/18/507765018.db2.gz OADCKFHCIQWXTD-PWRODBHTSA-N 0 3 364.493 2.735 50 0 FFAAHN CCCN1CCN([C@@H](C)CCCN(C(=O)c2cscn2)C2CC2)CC1 ZINC000072305495 507773959 /nfs/dbraw/zinc/77/39/59/507773959.db2.gz XLKLYGLICJYYCK-INIZCTEOSA-N 0 3 364.559 2.944 50 0 FFAAHN C[C@@H](Cn1cccn1)C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072418530 507786428 /nfs/dbraw/zinc/78/64/28/507786428.db2.gz FDJHFYCLAKVPRT-PDRSHUBSSA-N 0 3 356.514 2.632 50 0 FFAAHN CCN(Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)C[C@@H]1CCCO1 ZINC000072432577 507790628 /nfs/dbraw/zinc/79/06/28/507790628.db2.gz RYZUOEHCLOFORS-KRWDZBQOSA-N 0 3 357.454 2.859 50 0 FFAAHN CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)CCc1cc2n(n1)CCCNC2 ZINC000072447321 507792186 /nfs/dbraw/zinc/79/21/86/507792186.db2.gz UIGMULPWRNRODW-UHFFFAOYSA-N 0 3 369.444 2.588 50 0 FFAAHN CSCc1nc(Cn2ccnc2-c2cc3n(n2)CCCNC3)cs1 ZINC000072438533 507792595 /nfs/dbraw/zinc/79/25/95/507792595.db2.gz URCWEVQMZKHRIZ-UHFFFAOYSA-N 0 3 360.512 2.608 50 0 FFAAHN c1cn(CCOc2cccc3cccnc32)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072473445 507795610 /nfs/dbraw/zinc/79/56/10/507795610.db2.gz OXTANOSKECDGTE-UHFFFAOYSA-N 0 3 374.448 2.867 50 0 FFAAHN CCN1CCC[C@@H]1CN1Cc2c(cccc2C(=O)N2CCC(F)CC2)C1=O ZINC000072475542 507796039 /nfs/dbraw/zinc/79/60/39/507796039.db2.gz DUIJEEOLTNQPPV-MRXNPFEDSA-N 0 3 373.472 2.701 50 0 FFAAHN Cc1cc(C)c(CN2CCC[C@@]3(CN(C)C(=O)O3)C2)c(-n2cccn2)c1 ZINC000072478298 507797025 /nfs/dbraw/zinc/79/70/25/507797025.db2.gz MTSTVKCWNVOCSQ-HXUWFJFHSA-N 0 3 354.454 2.906 50 0 FFAAHN Cc1ncc2c(c1CNC(=O)CCc1nc3ccccc3s1)CCNC2 ZINC000072478768 507797185 /nfs/dbraw/zinc/79/71/85/507797185.db2.gz SVOOAAPCOXAIGA-UHFFFAOYSA-N 0 3 366.490 2.894 50 0 FFAAHN Cc1n[nH]c(C)c1CNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000109400817 507960636 /nfs/dbraw/zinc/96/06/36/507960636.db2.gz RYQPDJOSIVCTET-UHFFFAOYSA-N 0 3 369.513 2.877 50 0 FFAAHN COCCN1C[C@H](NC(=O)c2ccccc2C(F)(F)F)[C@@H](C2CC2)C1 ZINC000091289436 507978876 /nfs/dbraw/zinc/97/88/76/507978876.db2.gz FKJUZHBQDUUORO-ZBFHGGJFSA-N 0 3 356.388 2.792 50 0 FFAAHN Cc1c(C(=O)NCC2(CN3CCN(C)CC3)CC2)[nH]c2c1c(C)ccc2C ZINC000091434407 507985457 /nfs/dbraw/zinc/98/54/57/507985457.db2.gz ZWIJHUIGPVQBJR-UHFFFAOYSA-N 0 3 368.525 2.851 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)c3ccc(C)c(O)c3)C[C@H]2N(C)C)cc1 ZINC000091602913 507995603 /nfs/dbraw/zinc/99/56/03/507995603.db2.gz ZJDYLTXZHQQOIV-RBUKOAKNSA-N 0 3 354.450 2.879 50 0 FFAAHN CCN1CC[C@@]2(CN(Cc3ccccc3SC)CCN2C)CCC1=O ZINC000091819480 508015485 /nfs/dbraw/zinc/01/54/85/508015485.db2.gz CUUGCSUMTSABAE-HXUWFJFHSA-N 0 3 361.555 2.927 50 0 FFAAHN CCn1ccc2ccc(CN3C[C@H]4CC[C@@H]3CN(CC(=O)N(C)C)C4)cc21 ZINC000091818722 508015730 /nfs/dbraw/zinc/01/57/30/508015730.db2.gz LRKFYTWGQZTSQU-AZUAARDMSA-N 0 3 368.525 2.646 50 0 FFAAHN Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)[nH]n1 ZINC000092038023 508035759 /nfs/dbraw/zinc/03/57/59/508035759.db2.gz VGWIXCDAGVFJBB-RBUKOAKNSA-N 0 3 352.482 2.887 50 0 FFAAHN CCc1ocnc1C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2CC(C)C ZINC000092078786 508041783 /nfs/dbraw/zinc/04/17/83/508041783.db2.gz ILZGZPPKQUIONU-UHFFFAOYSA-N 0 3 371.485 2.606 50 0 FFAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(F)ccc2F)C1 ZINC000095352421 508173904 /nfs/dbraw/zinc/17/39/04/508173904.db2.gz XNPULUBKSMBSAE-CQSZACIVSA-N 0 3 362.424 2.743 50 0 FFAAHN O=C(c1cc(Cl)c[nH]c1=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095371014 508178445 /nfs/dbraw/zinc/17/84/45/508178445.db2.gz HXGKPWNSLHOPOQ-NVXWUHKLSA-N 0 3 371.868 2.765 50 0 FFAAHN Cc1cccc(C(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)c1[O-] ZINC000095371045 508178547 /nfs/dbraw/zinc/17/85/47/508178547.db2.gz QQLFBQVCCAZMRF-QGZVFWFLSA-N 0 3 370.497 2.869 50 0 FFAAHN COc1ccccc1NC(=O)N1CCC[C@@H](c2nccn2CCN(C)C)C1 ZINC000095386349 508182692 /nfs/dbraw/zinc/18/26/92/508182692.db2.gz RNMAROJBUMRBSB-MRXNPFEDSA-N 0 3 371.485 2.865 50 0 FFAAHN CCn1nc(C)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095387635 508182921 /nfs/dbraw/zinc/18/29/21/508182921.db2.gz ZKFSQKXKGLHQJU-RTBURBONSA-N 0 3 352.482 2.948 50 0 FFAAHN C[C@@H](NC(=O)Nc1ccccc1OC1CCN(C)CC1)c1cnn(C)c1 ZINC000095498747 508189464 /nfs/dbraw/zinc/18/94/64/508189464.db2.gz WYWIWBLIWSCAGO-CQSZACIVSA-N 0 3 357.458 2.776 50 0 FFAAHN COc1cccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)c1C ZINC000095506357 508192159 /nfs/dbraw/zinc/19/21/59/508192159.db2.gz WWIXWZHSZVFOIO-QGZVFWFLSA-N 0 3 370.497 2.782 50 0 FFAAHN CN(C[C@H]1CCCN(CCc2ccc(F)cc2)C1)S(=O)(=O)C1CC1 ZINC000095521329 508195037 /nfs/dbraw/zinc/19/50/37/508195037.db2.gz BYXMUHXNQSGUIM-MRXNPFEDSA-N 0 3 354.491 2.504 50 0 FFAAHN C[C@@H](CNC(=O)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C)N(C)C1CC1 ZINC000096004540 508202469 /nfs/dbraw/zinc/20/24/69/508202469.db2.gz GMBWOUYIVKRDED-IFXJQAMLSA-N 0 3 353.507 2.765 50 0 FFAAHN C[C@H](C1CCN(C(=O)c2ccc(F)cc2Cl)CC1)N1CCN(C)CC1 ZINC000082119985 508226284 /nfs/dbraw/zinc/22/62/84/508226284.db2.gz BRBUHSQRFOALJJ-CQSZACIVSA-N 0 3 367.896 2.967 50 0 FFAAHN C[C@@H](C1CCN(C(=O)c2ccc(Cl)cc2F)CC1)N1CCN(C)CC1 ZINC000082115373 508226364 /nfs/dbraw/zinc/22/63/64/508226364.db2.gz GNHQHQVCCYRXNI-AWEZNQCLSA-N 0 3 367.896 2.967 50 0 FFAAHN Cc1cccc(C(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)c1O ZINC000082137347 508226853 /nfs/dbraw/zinc/22/68/53/508226853.db2.gz LZTRDDNKSMDGJE-UHFFFAOYSA-N 0 3 356.470 2.689 50 0 FFAAHN COc1ccc(/C=C/CN2CCC(c3nnc(CN(C)C)n3C)CC2)cc1 ZINC000077287536 508295945 /nfs/dbraw/zinc/29/59/45/508295945.db2.gz MSEFWDLLOANCLR-AATRIKPKSA-N 0 3 369.513 2.778 50 0 FFAAHN CN(CC1CCN(Cc2ccccc2)CC1)C(=O)COC[C@@H]1CCCCO1 ZINC000077356892 508305024 /nfs/dbraw/zinc/30/50/24/508305024.db2.gz PIRKUDRAEOEQOI-NRFANRHFSA-N 0 3 374.525 2.943 50 0 FFAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccn3nnnc3c2)cc1 ZINC000077380117 508308025 /nfs/dbraw/zinc/30/80/25/508308025.db2.gz IJVGBOGOEWYESI-SFHVURJKSA-N 0 3 364.453 2.553 50 0 FFAAHN C[C@@H](CC(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1)n1ccnc1 ZINC000077469749 508320041 /nfs/dbraw/zinc/32/00/41/508320041.db2.gz MRISXQJQEJQTJY-PDRSHUBSSA-N 0 3 356.514 2.947 50 0 FFAAHN Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H](c2ccc(C)cc2)[C@H](N(C)C)C1 ZINC000077471819 508320793 /nfs/dbraw/zinc/32/07/93/508320793.db2.gz OJAFQJLBLMINIP-LEWJYISDSA-N 0 3 368.525 2.834 50 0 FFAAHN COCCN1C[C@@]2(CCCN(Cc3cc(C(C)(C)C)[nH]n3)C2)CCC1=O ZINC000077489017 508322542 /nfs/dbraw/zinc/32/25/42/508322542.db2.gz KSHMRMPWRHBXIL-FQEVSTJZSA-N 0 3 362.518 2.558 50 0 FFAAHN Cc1ccc(S(=O)(=O)N2CCC(NCc3ccc(C)cn3)CC2)cc1 ZINC000133815110 508453997 /nfs/dbraw/zinc/45/39/97/508453997.db2.gz TXJFMLKYSLJKMR-UHFFFAOYSA-N 0 3 359.495 2.641 50 0 FFAAHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc(OCCc3ccccc3)nc2)C1 ZINC000151707316 509070727 /nfs/dbraw/zinc/07/07/27/509070727.db2.gz NGIUCQBZRRRBGC-GOSISDBHSA-N 0 3 354.454 2.871 50 0 FFAAHN CN1CCN(C[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3Cl)C2)CC1 ZINC000215216268 509245689 /nfs/dbraw/zinc/24/56/89/509245689.db2.gz ADXGYVMTXMBPQI-HNNXBMFYSA-N 0 3 367.896 2.508 50 0 FFAAHN CN1C[C@]2(CCN(Cc3cccc(OCCN4CCCCC4)c3)C2)OC1=O ZINC000215777726 509250946 /nfs/dbraw/zinc/25/09/46/509250946.db2.gz VTMQLQRHBMHJCP-NRFANRHFSA-N 0 3 373.497 2.578 50 0 FFAAHN COc1cc2c(cc1CN1CCC([C@@H](O)c3nccn3C)CC1)CCC2 ZINC000215949329 509255551 /nfs/dbraw/zinc/25/55/51/509255551.db2.gz IZCVJLDRHCEJHU-HXUWFJFHSA-N 0 3 355.482 2.863 50 0 FFAAHN O=C(COc1ccc2ccccc2c1)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000218895124 509281278 /nfs/dbraw/zinc/28/12/78/509281278.db2.gz UUQSQQDVJZHTQE-NRFANRHFSA-N 0 3 368.477 2.978 50 0 FFAAHN Cc1nc(CC2CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC2)no1 ZINC000219070498 509283152 /nfs/dbraw/zinc/28/31/52/509283152.db2.gz NPMODBLUDJFJCX-IBGZPJMESA-N 0 3 368.481 2.824 50 0 FFAAHN COc1ccc(C[C@H](N)C(=O)N(C)Cc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000221409945 509309200 /nfs/dbraw/zinc/30/92/00/509309200.db2.gz SOMFNTAEHCFZMB-IBGZPJMESA-N 0 3 364.449 2.614 50 0 FFAAHN Cc1cc(C(F)(F)F)nc(CCNC(=O)C2(N3CCCC3)CCCC2)n1 ZINC000222741769 509322356 /nfs/dbraw/zinc/32/23/56/509322356.db2.gz JCAXTUFHKUKRHI-UHFFFAOYSA-N 0 3 370.419 2.871 50 0 FFAAHN Cn1cc(CN2CCC(CN3CCOCC3)CC2)c(-c2ccccc2)n1 ZINC000179685135 509573456 /nfs/dbraw/zinc/57/34/56/509573456.db2.gz NHUPYJPYJOVNEI-UHFFFAOYSA-N 0 3 354.498 2.631 50 0 FFAAHN C[C@@H]1CCCCN1CCNC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1 ZINC000252678887 509857649 /nfs/dbraw/zinc/85/76/49/509857649.db2.gz HDTUAKCFVKJSMW-DGCLKSJQSA-N 0 3 355.891 2.885 50 0 FFAAHN O=c1cc(CN2CCCC[C@H]2CCc2ccccn2)nc2c(O)cccn12 ZINC000244794717 509871954 /nfs/dbraw/zinc/87/19/54/509871954.db2.gz QSHHLFFBZODCTF-SFHVURJKSA-N 0 3 364.449 2.782 50 0 FFAAHN C[C@@H](CCC(=O)NCc1cc(-c2ccccc2F)no1)N1CCN(C)CC1 ZINC000244852742 509874037 /nfs/dbraw/zinc/87/40/37/509874037.db2.gz UXUASMKVLWOEGI-HNNXBMFYSA-N 0 3 374.460 2.513 50 0 FFAAHN C[C@@H]1CN([C@H](CNCc2cncn2C)c2c(F)cccc2Cl)CCO1 ZINC000263844257 510852930 /nfs/dbraw/zinc/85/29/30/510852930.db2.gz JDMLCLQTZMGLSC-CXAGYDPISA-N 0 3 366.868 2.764 50 0 FFAAHN CCc1nc(CN(C)C(=O)NCCN2CC[C@H](c3ccccc3C)C2)no1 ZINC000426474419 513950107 /nfs/dbraw/zinc/95/01/07/513950107.db2.gz VADNMVHAUYQHQI-INIZCTEOSA-N 0 3 371.485 2.571 50 0 FFAAHN CN(C)S(=O)(=O)c1ccc(-c2ccc(CN3CCCCC3)cn2)cc1 ZINC000426550678 513978517 /nfs/dbraw/zinc/97/85/17/513978517.db2.gz SJRWTNGXBSKBJL-UHFFFAOYSA-N 0 3 359.495 2.985 50 0 FFAAHN COCCN1CCC[C@H](CNC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000426589911 513989517 /nfs/dbraw/zinc/98/95/17/513989517.db2.gz CTQPJGZZJRGUFF-OAHLLOKOSA-N 0 3 353.894 2.840 50 0 FFAAHN CO[C@]12CCN(Cc3cn(C)nc3C)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426661150 514009753 /nfs/dbraw/zinc/00/97/53/514009753.db2.gz BALRLPURNRXDCG-WSTZPKSXSA-N 0 3 356.470 2.715 50 0 FFAAHN Cc1cc(C)cc(N2CCN(C(=O)NCC(C)(C)N3CCCC3)CC2=O)c1 ZINC000426674332 514011499 /nfs/dbraw/zinc/01/14/99/514011499.db2.gz WAVGXKYZHHHWIW-UHFFFAOYSA-N 0 3 372.513 2.536 50 0 FFAAHN Cc1ccccc1[C@H](CNC(=O)N1CCC(c2ncon2)CC1)N(C)C ZINC000534659744 517988908 /nfs/dbraw/zinc/98/89/08/517988908.db2.gz QEHUSQJOLTYLMZ-KRWDZBQOSA-N 0 3 357.458 2.570 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(-c2ccc(F)c(C(N)=O)c2)cc1 ZINC000534663479 517991095 /nfs/dbraw/zinc/99/10/95/517991095.db2.gz XSBTYHYGVWEZIJ-KRWDZBQOSA-N 0 3 369.440 2.806 50 0 FFAAHN O=C(CCc1cccc(Cl)c1)NCC1CCN([C@@H]2CCOC2)CC1 ZINC000575608619 518233714 /nfs/dbraw/zinc/23/37/14/518233714.db2.gz UYRZAILGYZAGBL-GOSISDBHSA-N 0 3 350.890 2.890 50 0 FFAAHN O=C(N[C@@H]1CCCN(C2CCCC2)C1)N1CCN(c2ccccc2O)CC1 ZINC000584890505 518524676 /nfs/dbraw/zinc/52/46/76/518524676.db2.gz UAKREXDNYGXYSM-QGZVFWFLSA-N 0 3 372.513 2.631 50 0 FFAAHN COc1c(N)ccnc1-c1cccc(C(=O)NCCN2CCCCC2)c1 ZINC000584894572 518528275 /nfs/dbraw/zinc/52/82/75/518528275.db2.gz JBOZGXHNBJWMEG-UHFFFAOYSA-N 0 3 354.454 2.555 50 0 FFAAHN CCOc1ccc2[nH]c3c(ncnc3NCCCN3CCN(C)CC3)c2c1 ZINC000020533225 521285336 /nfs/dbraw/zinc/28/53/36/521285336.db2.gz XTZCLZBGPMHFRF-UHFFFAOYSA-N 0 3 368.485 2.559 50 0 FFAAHN COCCn1ccnc1C1CCN(C[C@@H]2COc3ccccc3O2)CC1 ZINC000091440819 522136388 /nfs/dbraw/zinc/13/63/88/522136388.db2.gz UHOOZXFFJWSXEI-QGZVFWFLSA-N 0 3 357.454 2.549 50 0 FFAAHN CO[C@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2c(C)noc2C2CC2)C1 ZINC000626499263 522235151 /nfs/dbraw/zinc/23/51/51/522235151.db2.gz IPKZHSZVVMVVPY-HRCADAONSA-N 0 3 362.474 2.966 50 0 FFAAHN Cc1cc(CN(C)C)cc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1 ZINC000089585331 524659197 /nfs/dbraw/zinc/65/91/97/524659197.db2.gz FHYFYOQEPZAWCG-ICSRJNTNSA-N 0 3 366.465 2.610 50 0 FFAAHN Cc1ccc([C@H](O)CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000084148681 525976107 /nfs/dbraw/zinc/97/61/07/525976107.db2.gz REYLDHBQNRCCNW-HNAYVOBHSA-N 0 3 362.495 2.630 50 0 FFAAHN Cc1nnc(CCCN(C)C[C@H](O)COc2ccccc2C(F)(F)F)o1 ZINC000089736305 526327651 /nfs/dbraw/zinc/32/76/51/526327651.db2.gz VTWSPFWFRSJEJF-ZDUSSCGKSA-N 0 3 373.375 2.701 50 0 FFAAHN O=C(c1nccc2ccccc21)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000079105973 526919308 /nfs/dbraw/zinc/91/93/08/526919308.db2.gz NFBAMBRWKUCCSF-SFHVURJKSA-N 0 3 353.466 2.952 50 0 FFAAHN CC(C)=CCN1CCC2(CC[C@H](CNC(=O)Nc3ccc[nH]c3=O)O2)CC1 ZINC000299801953 527430015 /nfs/dbraw/zinc/43/00/15/527430015.db2.gz ZFKVMEXQLQWOPC-MRXNPFEDSA-N 0 3 374.485 2.889 50 0 FFAAHN CCN(C[C@H]1CCN(C)C1)C(=O)Nc1ccnn1Cc1cccc(F)c1 ZINC000299759614 528751477 /nfs/dbraw/zinc/75/14/77/528751477.db2.gz NLPPIZWDXVQHQO-INIZCTEOSA-N 0 3 359.449 2.876 50 0 FFAAHN CCN1CCCC[C@H]1C(=O)N1CCN(c2ccccc2OC)C(C)(C)C1 ZINC000082137673 535495633 /nfs/dbraw/zinc/49/56/33/535495633.db2.gz PFIQGTVIRCMPRT-SFHVURJKSA-N 0 3 359.514 2.997 50 0 FFAAHN Cc1ccn2ncc(C(=O)NC3CCN([C@@H](C)c4ccccc4)CC3)c2n1 ZINC000116067581 571164286 /nfs/dbraw/zinc/16/42/86/571164286.db2.gz UKDLWXSHFNJBII-INIZCTEOSA-N 0 3 363.465 2.993 50 0 FFAAHN CC[C@H]1CN(Cc2ccc(OCC(N)=O)c(Cl)c2)CCN1C(C)C ZINC000072145154 571173050 /nfs/dbraw/zinc/17/30/50/571173050.db2.gz CHZCNZOWLKVPTD-HNNXBMFYSA-N 0 3 353.894 2.509 50 0 FFAAHN COCCO[C@@H]1CN(C2CCN(C(=O)C3CCC3)CC2)C12CCCCC2 ZINC000581802165 971102801 /nfs/dbraw/zinc/10/28/01/971102801.db2.gz GVKSCSVMEYOHPX-LJQANCHMSA-N 0 3 364.530 2.828 50 0 FFAAHN O=C(c1ccc2ccccc2n1)N(CCN1CCCC1)C1CCOCC1 ZINC000675022197 971504605 /nfs/dbraw/zinc/50/46/05/971504605.db2.gz MKPZWTGUFDMOFJ-UHFFFAOYSA-N 0 3 353.466 2.952 50 0 FFAAHN CC(=O)c1cccc(CN2CCC[C@@H](CCC(=O)N3CCN(C)CC3)C2)c1 ZINC000012438793 989433356 /nfs/dbraw/zinc/43/33/56/989433356.db2.gz XUVYUTGQXOVOJB-IBGZPJMESA-N 0 3 371.525 2.655 50 0 FFAAHN CC(=O)N1CCC(Cc2ccc(C(=O)NCCN3CCCCC3)cc2)CC1 ZINC000581806318 999947950 /nfs/dbraw/zinc/94/79/50/999947950.db2.gz ZMTMJMFWQKHNBI-UHFFFAOYSA-N 0 3 371.525 2.703 50 0 FFAAHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cccc2c[nH]nc21 ZINC000192230026 1001268005 /nfs/dbraw/zinc/26/80/05/1001268005.db2.gz PICQTEVLGUOINX-SFHVURJKSA-N 0 3 364.449 2.584 50 0 FFAAHN COc1ccc([C@H](CN(C)C)NCc2ccc(-n3ccnc3)nc2)cc1 ZINC000585081307 1008250299 /nfs/dbraw/zinc/25/02/99/1008250299.db2.gz XJNNKNXSYBPNRY-IBGZPJMESA-N 0 3 351.454 2.668 50 0 FFAAHN O=C(CNC1(c2ccc3c(c2)OCCO3)CCCC1)Nc1ccncc1 ZINC000113930436 1011434149 /nfs/dbraw/zinc/43/41/49/1011434149.db2.gz WJGXZBZGXOSELW-UHFFFAOYSA-N 0 3 353.422 2.850 50 0 FFAAHN c1ccc(C[C@@H]2CN(C3CCN(Cc4ccccn4)CC3)CCO2)cc1 ZINC000015076639 1021791077 /nfs/dbraw/zinc/79/10/77/1021791077.db2.gz CQDUPGIWVWULNI-JOCHJYFZSA-N 0 3 351.494 2.990 50 0 FFAAHN Cc1ccc(-c2nnc(NC(=O)CC[C@@H](C)N3CCN(C)CC3)s2)cc1 ZINC001529141859 1062184479 /nfs/dbraw/zinc/18/44/79/1062184479.db2.gz QUJLYXDRYDZVKQ-OAHLLOKOSA-N 0 3 373.526 2.868 50 0 FFAAHN CN1CCc2[nH]nc(C(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)c2C1 ZINC000299789104 529811820 /nfs/dbraw/zinc/81/18/20/529811820.db2.gz VYRJNFVQKNKGPM-CYBMUJFWSA-N 0 3 365.437 2.559 50 0 FFAAHN CCc1c(C(=O)NC[C@@H]2CCCCN2C2CC2)cnn1-c1ccccn1 ZINC000225496010 222845963 /nfs/dbraw/zinc/84/59/63/222845963.db2.gz SVZRBVGRVLHYFV-INIZCTEOSA-N 0 3 353.470 2.576 50 0 FFAAHN COCCN1CCC(CNC(=O)[C@@]2(c3cccs3)CC2(C)C)CC1 ZINC000299773176 223090244 /nfs/dbraw/zinc/09/02/44/223090244.db2.gz CUISAEAZLUUDJX-IBGZPJMESA-N 0 3 350.528 2.890 50 0 FFAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)C2(Cn3ccnc3)CC2)C1 ZINC000299783548 223095024 /nfs/dbraw/zinc/09/50/24/223095024.db2.gz WEQGICUVJHLWNM-GOSISDBHSA-N 0 3 352.482 2.577 50 0 FFAAHN O=C(Nc1ccc2ncccc2c1)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000299784225 223095561 /nfs/dbraw/zinc/09/55/61/223095561.db2.gz WYYLBOZNTJDPFG-GOSISDBHSA-N 0 3 354.454 3.000 50 0 FFAAHN O=C(Nc1cccc(C(F)(F)F)c1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000299801126 223104622 /nfs/dbraw/zinc/10/46/22/223104622.db2.gz YNBBFPBTEDIZOK-GJZGRUSLSA-N 0 3 357.376 2.768 50 0 FFAAHN C[C@@H](CCC(=O)NCC1(c2ccc(Cl)cc2)CC1)N1CCN(C)CC1 ZINC000299798033 223101214 /nfs/dbraw/zinc/10/12/14/223101214.db2.gz PSIRSRHSQSPDET-INIZCTEOSA-N 0 3 363.933 2.904 50 0 FFAAHN O=C(CN1CCCCCC1)N1CCC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000012590061 220010425 /nfs/dbraw/zinc/01/04/25/220010425.db2.gz VQGWMKBPDBXYNO-NRFANRHFSA-N 0 3 362.489 2.845 50 0 FFAAHN CCc1nnc(SCC(=O)N2CCC[C@@H](N(C)Cc3ccccc3)C2)o1 ZINC000012594089 220011596 /nfs/dbraw/zinc/01/15/96/220011596.db2.gz HDHGGEATKRWAQH-MRXNPFEDSA-N 0 3 374.510 2.847 50 0 FFAAHN Cc1c(NC(=O)[C@H](C)N2C[C@H](C)C[C@@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000012601452 220012391 /nfs/dbraw/zinc/01/23/91/220012391.db2.gz SYGMLVDCRSEUQO-INMHGKMJSA-N 0 3 370.497 2.789 50 0 FFAAHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000013671471 220082994 /nfs/dbraw/zinc/08/29/94/220082994.db2.gz ZDUZIJZNEYLZED-OAHLLOKOSA-N 0 3 370.515 2.637 50 0 FFAAHN CN(C)[C@H](CNC(=O)CCNC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000014164591 220112857 /nfs/dbraw/zinc/11/28/57/220112857.db2.gz CAABVAFURQGMQX-GOSISDBHSA-N 0 3 373.884 2.879 50 0 FFAAHN CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)C1CCCCCC1 ZINC000014705198 220129808 /nfs/dbraw/zinc/12/98/08/220129808.db2.gz NSWMUDGVFARUTQ-UHFFFAOYSA-N 0 3 371.403 2.813 50 0 FFAAHN Cc1cccc(CN2CCC[C@]3(CCN(c4cc(C)nc(N)n4)C3)C2=O)c1 ZINC000015072211 220145861 /nfs/dbraw/zinc/14/58/61/220145861.db2.gz WYCKFQGDWJBCKV-OAQYLSRUSA-N 0 3 365.481 2.695 50 0 FFAAHN COCC(=O)Nc1cccc(NC(=O)N2CCC[C@]3(CCN(C)C3)C2)c1C ZINC000299769070 533068236 /nfs/dbraw/zinc/06/82/36/533068236.db2.gz ITISKVDHZFYWHJ-HXUWFJFHSA-N 0 3 374.485 2.530 50 0 FFAAHN CCC(CC)N1CCN(Cc2cc(OC)cc(OC)c2)[C@@H](CCO)C1 ZINC000020205172 220319101 /nfs/dbraw/zinc/31/91/01/220319101.db2.gz XJSVODVSYHMKSY-SFHVURJKSA-N 0 3 350.503 2.761 50 0 FFAAHN CC(=O)N[C@@H](CC(=O)NC[C@H](c1ccccc1)N(C)C)c1cccs1 ZINC000021305680 220356028 /nfs/dbraw/zinc/35/60/28/220356028.db2.gz MIDNVKZXBVRWNO-DLBZAZTESA-N 0 3 359.495 2.735 50 0 FFAAHN COc1ccc([C@H](CNCc2ccc3c(c2)OCCO3)N(C)C)cc1OC ZINC000022094925 220376514 /nfs/dbraw/zinc/37/65/14/220376514.db2.gz HSERLPNDXYKSDQ-KRWDZBQOSA-N 0 3 372.465 2.868 50 0 FFAAHN CN(Cc1ccccc1)C1(C(=O)NC(C)(C)CO)Cc2ccccc2C1 ZINC000039509708 220863775 /nfs/dbraw/zinc/86/37/75/220863775.db2.gz JQUKTAVQLPRKPK-UHFFFAOYSA-N 0 3 352.478 2.543 50 0 FFAAHN COc1ccc(OC)c(CNCc2ccccc2CN2CCN(C)CC2)c1 ZINC000048783065 221014443 /nfs/dbraw/zinc/01/44/43/221014443.db2.gz BSVNQFBGPHCKOQ-UHFFFAOYSA-N 0 3 369.509 2.741 50 0 FFAAHN CN(CCC(=O)N1CCc2sccc2C1)Cc1ccc2c(c1)OCCO2 ZINC000055898722 221075560 /nfs/dbraw/zinc/07/55/60/221075560.db2.gz ZZEFWFPWBJJAIM-UHFFFAOYSA-N 0 3 372.490 2.926 50 0 FFAAHN Cc1c(CNCc2ccccc2-n2ccnc2)c2ccccc2n1CC(N)=O ZINC000055359053 221066905 /nfs/dbraw/zinc/06/69/05/221066905.db2.gz RNCUECNUXFTKNH-UHFFFAOYSA-N 0 3 373.460 2.911 50 0 FFAAHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1ccn(CCc2ccccn2)n1 ZINC000058425824 221119289 /nfs/dbraw/zinc/11/92/89/221119289.db2.gz DIPRLLHAQJGNPK-KUHUBIRLSA-N 0 3 364.405 2.688 50 0 FFAAHN CCN1CCN(CCCNc2nc(-c3ccc(C)cc3)nnc2C)CC1 ZINC000065195831 221178413 /nfs/dbraw/zinc/17/84/13/221178413.db2.gz LKNGMRJVIXNGTR-UHFFFAOYSA-N 0 3 354.502 2.595 50 0 FFAAHN O=C(C1CC1)N1CCC(N2CCN(c3nccc4ccccc43)CC2)CC1 ZINC000065452473 221220316 /nfs/dbraw/zinc/22/03/16/221220316.db2.gz DCYKLBSQFWYDGH-UHFFFAOYSA-N 0 3 364.493 2.758 50 0 FFAAHN CN(CCc1ccccn1)C[C@@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067513629 221257332 /nfs/dbraw/zinc/25/73/32/221257332.db2.gz DAOBNYSXZABTGD-QFIPXVFZSA-N 0 3 373.541 2.880 50 0 FFAAHN CN1CCN(C)C2(CCN(C(=O)c3cc4c(cccc4Cl)[nH]3)CC2)C1 ZINC000067563013 221259318 /nfs/dbraw/zinc/25/93/18/221259318.db2.gz JGUIGJQMXWFPLK-UHFFFAOYSA-N 0 3 360.889 2.673 50 0 FFAAHN CCc1ccc(C(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1 ZINC000067601747 221261194 /nfs/dbraw/zinc/26/11/94/221261194.db2.gz XOAPYVPYFYUSDJ-UHFFFAOYSA-N 0 3 353.470 2.790 50 0 FFAAHN Cc1nc(NCCNC(=O)c2ccc(F)cc2F)cc(N2CCCC2)n1 ZINC000067614121 221263647 /nfs/dbraw/zinc/26/36/47/221263647.db2.gz QWEAAUAQSTWMJI-UHFFFAOYSA-N 0 3 361.396 2.505 50 0 FFAAHN CN(CCN1CCCCCC1)C(=O)c1cc(COc2ccccc2)[nH]n1 ZINC000067643293 221264667 /nfs/dbraw/zinc/26/46/67/221264667.db2.gz NZQSDGHUHKOEJH-UHFFFAOYSA-N 0 3 356.470 2.937 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N3C[C@@H]4CC=CC[C@@H]4C3)cnn2c1 ZINC000067688330 221270931 /nfs/dbraw/zinc/27/09/31/221270931.db2.gz INSKSPFTHISBGP-CALCHBBNSA-N 0 3 353.470 2.609 50 0 FFAAHN COc1cc(OC)c(OC)cc1CN1CCC2(CC1)CCNC(=O)CC2 ZINC000067756582 221281612 /nfs/dbraw/zinc/28/16/12/221281612.db2.gz SPWOLBUAQGZXCZ-UHFFFAOYSA-N 0 3 362.470 2.595 50 0 FFAAHN Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1cccc2c1CCN(C)C2 ZINC000069778916 221328592 /nfs/dbraw/zinc/32/85/92/221328592.db2.gz FBQMASCOCYSWHJ-UHFFFAOYSA-N 0 3 365.412 2.955 50 0 FFAAHN Cc1nc(C(F)(F)F)nc(N2CCN(C3CCCC3)[C@@H](CCO)C2)c1C ZINC000106943675 132241100 /nfs/dbraw/zinc/24/11/00/132241100.db2.gz DZKGAMNOPDMDFC-HNNXBMFYSA-N 0 3 372.435 2.928 50 0 FFAAHN O=C(CN1CCCCCCC1)N1CC[C@]2(C1)CCCN(CC1CC1)C2=O ZINC000091893567 221811103 /nfs/dbraw/zinc/81/11/03/221811103.db2.gz NOLUHRNOUQISHT-NRFANRHFSA-N 0 3 361.530 2.504 50 0 FFAAHN O=C(CCc1[nH]nc2c1CCCC2)NCCN1CC[C@@H](c2ccccc2)C1 ZINC000096140748 222044681 /nfs/dbraw/zinc/04/46/81/222044681.db2.gz CPODTARBNWGDHL-GOSISDBHSA-N 0 3 366.509 2.827 50 0 FFAAHN Cc1c(C(=O)N2CCC(N3CCSCC3)CC2)c2cc(O)ccc2n1C ZINC000097568810 222192839 /nfs/dbraw/zinc/19/28/39/222192839.db2.gz VFSVOVKDVIXVJI-UHFFFAOYSA-N 0 3 373.522 2.846 50 0 FFAAHN Cc1ccc(C)c(-c2n[nH]cc2CN2CCC(O)(Cn3ccnc3)CC2)c1 ZINC000097594981 222195355 /nfs/dbraw/zinc/19/53/55/222195355.db2.gz FZJJTCOJMOJZLA-UHFFFAOYSA-N 0 3 365.481 2.917 50 0 FFAAHN O[C@H]1CN(Cc2cccc(OCc3ccccc3)c2)C[C@@H]1N1CCCC1 ZINC000097604127 222198108 /nfs/dbraw/zinc/19/81/08/222198108.db2.gz HHBNJZVLXYTUGK-VXKWHMMOSA-N 0 3 352.478 2.907 50 0 FFAAHN COCc1cc(CN(C)C(=O)c2ccc(CN3CCCCC3)cc2)[nH]n1 ZINC000097694869 222205688 /nfs/dbraw/zinc/20/56/88/222205688.db2.gz RYVNLLKLXXIUSL-UHFFFAOYSA-N 0 3 356.470 2.814 50 0 FFAAHN Cc1nc(C(=O)NCCc2ccc(F)cc2)c(C)n1C1CCN(C)CC1 ZINC000065257300 506277549 /nfs/dbraw/zinc/27/75/49/506277549.db2.gz KYGMXHOBDFFGKK-UHFFFAOYSA-N 0 3 358.461 2.878 50 0 FFAAHN CN1CCC(N2CCN(C(=O)c3cc4cn(C5CC5)cc4s3)CC2)CC1 ZINC000065285674 506282398 /nfs/dbraw/zinc/28/23/98/506282398.db2.gz SCBUADRRSXVKOT-UHFFFAOYSA-N 0 3 372.538 2.890 50 0 FFAAHN Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)NC1CCN(C)CC1 ZINC000002781912 506293292 /nfs/dbraw/zinc/29/32/92/506293292.db2.gz FRMZPPMWIIENBF-SECBINFHSA-N 0 3 352.788 2.635 50 0 FFAAHN CC(C)NS(=O)(=O)c1ccc(NC[C@H](c2cccs2)N(C)C)nc1 ZINC000032869501 506304707 /nfs/dbraw/zinc/30/47/07/506304707.db2.gz CDRSNOVRUARJNA-CQSZACIVSA-N 0 3 368.528 2.545 50 0 FFAAHN CC(C)[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccccc1 ZINC000004290280 506370505 /nfs/dbraw/zinc/37/05/05/506370505.db2.gz GBKDRVIAPFAMCN-PMACEKPBSA-N 0 3 366.461 2.667 50 0 FFAAHN COc1ccc(C(=O)N2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1OC ZINC000004538035 506382231 /nfs/dbraw/zinc/38/22/31/506382231.db2.gz BEAACCIGIHRHBV-RYRKJORJSA-N 0 3 356.466 2.674 50 0 FFAAHN COc1ccc(CN(C[C@@H](O)COCc2ccco2)C2CC2)cc1OC ZINC000036095834 506397567 /nfs/dbraw/zinc/39/75/67/506397567.db2.gz XNFQNQQLKXCFJG-QGZVFWFLSA-N 0 3 361.438 2.839 50 0 FFAAHN CC(=O)c1ccc(NC(=O)NC[C@@H](CN(C)C)[C@H](O)c2ccccc2)cc1 ZINC000036396672 506406984 /nfs/dbraw/zinc/40/69/84/506406984.db2.gz JUGHORUXXYPYQE-AZUAARDMSA-N 0 3 369.465 2.922 50 0 FFAAHN CCOc1ccc(CNCCSc2nnnn2-c2ccccc2)cc1 ZINC000004993774 506412143 /nfs/dbraw/zinc/41/21/43/506412143.db2.gz IUDNLCMTDKXNAL-UHFFFAOYSA-N 0 3 355.467 2.943 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)c1csc(NC(=O)c2ccccc2C)n1 ZINC000040355405 506481473 /nfs/dbraw/zinc/48/14/73/506481473.db2.gz RYNFJMGWCGDJRI-AWEZNQCLSA-N 0 3 372.494 2.918 50 0 FFAAHN O=C(Cc1cn2ccsc2n1)NC1CCN(Cc2ccccc2)CC1 ZINC000006566943 506489471 /nfs/dbraw/zinc/48/94/71/506489471.db2.gz XHMQCURGNJFOCI-UHFFFAOYSA-N 0 3 354.479 2.719 50 0 FFAAHN COc1ccccc1[C@@H](CNc1nnnn1-c1ccccc1)N1CCCC1 ZINC000008726284 506664471 /nfs/dbraw/zinc/66/44/71/506664471.db2.gz RORLHQPXXMZBGA-GOSISDBHSA-N 0 3 364.453 2.920 50 0 FFAAHN NC(=O)[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 ZINC000010268514 506736144 /nfs/dbraw/zinc/73/61/44/506736144.db2.gz QMKBXTORRMXFBM-LJQANCHMSA-N 0 3 351.450 2.629 50 0 FFAAHN COc1cc(C(=O)N(C)[C@H](C)c2ccon2)ccc1OC1CCN(C)CC1 ZINC000011720642 506790596 /nfs/dbraw/zinc/79/05/96/506790596.db2.gz ACBQKMFARLNXIH-CQSZACIVSA-N 0 3 373.453 2.989 50 0 FFAAHN COc1ccc(CN2CCC(CCC(=O)NCCN(C)C)CC2)c(F)c1 ZINC000011948864 506806366 /nfs/dbraw/zinc/80/63/66/506806366.db2.gz FLHLLXZPGRECMJ-UHFFFAOYSA-N 0 3 365.493 2.504 50 0 FFAAHN O=C1CCN(Cc2ccc3c(c2)CCO3)CCN1Cc1ccc(F)cc1 ZINC000012041001 506809426 /nfs/dbraw/zinc/80/94/26/506809426.db2.gz MSJBKFMXZKLHAT-UHFFFAOYSA-N 0 3 354.425 2.995 50 0 FFAAHN Cc1ccccc1N1CCN(c2ncccc2CNC[C@@H]2CCOC2)CC1 ZINC000012304876 506847272 /nfs/dbraw/zinc/84/72/72/506847272.db2.gz ZGUJGEQCUGAQOV-IBGZPJMESA-N 0 3 366.509 2.843 50 0 FFAAHN Cc1ccc(CN2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)o1 ZINC000012439501 506863319 /nfs/dbraw/zinc/86/33/19/506863319.db2.gz HHLNZZIQXJQNQE-OAHLLOKOSA-N 0 3 356.422 2.959 50 0 FFAAHN Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@@H](C)CN2CCCCC2)cc1 ZINC000024802912 507439354 /nfs/dbraw/zinc/43/93/54/507439354.db2.gz ATPOEZAOIKPCLU-HNNXBMFYSA-N 0 3 373.526 2.533 50 0 FFAAHN Cc1ccc(OC[C@H](O)CN[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 ZINC000025368184 507495141 /nfs/dbraw/zinc/49/51/41/507495141.db2.gz FEMOJTRGCBCLQI-FXAWDEMLSA-N 0 3 366.465 2.975 50 0 FFAAHN COc1ccc(CCNC(=O)CN2CC[C@H]3CCCC[C@@H]3C2)cc1OC ZINC000025410442 507499163 /nfs/dbraw/zinc/49/91/63/507499163.db2.gz FRXTUKPKZWGEBX-QZTJIDSGSA-N 0 3 360.498 2.875 50 0 FFAAHN COC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1ccccc1C ZINC000026455869 507590505 /nfs/dbraw/zinc/59/05/05/507590505.db2.gz XTISCRGZBCLSGW-SFHVURJKSA-N 0 3 357.454 2.508 50 0 FFAAHN Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000070024804 507602246 /nfs/dbraw/zinc/60/22/46/507602246.db2.gz GFNPMKRHJFSKPZ-HNAYVOBHSA-N 0 3 354.498 2.921 50 0 FFAAHN O=C1CN(C[C@@H]2CCCN3CCCC[C@H]23)CCN1CCc1ccccc1 ZINC000072148639 507758172 /nfs/dbraw/zinc/75/81/72/507758172.db2.gz CWGCBXAELJALHY-LEWJYISDSA-N 0 3 355.526 2.638 50 0 FFAAHN Cc1ccc([C@H]2CN(C(=O)c3cnc(C)cn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072149703 507759811 /nfs/dbraw/zinc/75/98/11/507759811.db2.gz ZCHJBWOFPYKNNR-HMXCVIKNSA-N 0 3 362.477 2.796 50 0 FFAAHN COCCN1CCC[C@@]2(CCN(C(=O)Cc3cn(C)c4ccccc34)C2)C1 ZINC000072152522 507761838 /nfs/dbraw/zinc/76/18/38/507761838.db2.gz OEHXFZIQSRJQNC-JOCHJYFZSA-N 0 3 369.509 2.682 50 0 FFAAHN Cc1ccc([C@@H]2CN(C(=O)CCn3cccn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072168756 507768585 /nfs/dbraw/zinc/76/85/85/507768585.db2.gz DZBLSVUMAYJAHL-KSEOMHKRSA-N 0 3 364.493 2.670 50 0 FFAAHN O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C[C@@H]2CCCO2)C1 ZINC000072272617 507771516 /nfs/dbraw/zinc/77/15/16/507771516.db2.gz OFIFYUIAHUQNPE-OCCSQVGLSA-N 0 3 368.275 2.674 50 0 FFAAHN Cc1cc(C(=O)N2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)n(C)n1 ZINC000072409563 507785060 /nfs/dbraw/zinc/78/50/60/507785060.db2.gz RSHVTVMSBXRNQE-HMXCVIKNSA-N 0 3 364.493 2.739 50 0 FFAAHN Cc1[nH]c2c(cccc2F)c1CC(=O)NCc1c(C)ncc2c1CCNC2 ZINC000072419643 507786932 /nfs/dbraw/zinc/78/69/32/507786932.db2.gz NTDJXSWBQXNPNA-UHFFFAOYSA-N 0 3 366.440 2.823 50 0 FFAAHN Cc1cc2nc(-c3ccccc3)cc(NCCCN3CCC(O)CC3)n2n1 ZINC000072427065 507788950 /nfs/dbraw/zinc/78/89/50/507788950.db2.gz NPFPPWAQKBEYRR-UHFFFAOYSA-N 0 3 365.481 2.963 50 0 FFAAHN Cc1nn(C)c2nc(-c3ccncc3)nc(NC[C@@H]3CCCCN3C)c12 ZINC000072453604 507793426 /nfs/dbraw/zinc/79/34/26/507793426.db2.gz ZWJFEQXJFQCLRW-HNNXBMFYSA-N 0 3 351.458 2.630 50 0 FFAAHN C[C@@H]1C[N@H+](C2CCN(C(=O)Cc3ccc([O-])c(Cl)c3)CC2)C[C@H](C)O1 ZINC000072463671 507794927 /nfs/dbraw/zinc/79/49/27/507794927.db2.gz CZEPFPLXGNDQJH-OKILXGFUSA-N 0 3 366.889 2.688 50 0 FFAAHN C[C@@H]1C[N@@H+](C2CCN(C(=O)Cc3ccc([O-])c(Cl)c3)CC2)C[C@H](C)O1 ZINC000072463671 507794930 /nfs/dbraw/zinc/79/49/30/507794930.db2.gz CZEPFPLXGNDQJH-OKILXGFUSA-N 0 3 366.889 2.688 50 0 FFAAHN O=C1OC2(CN1CCOc1ccccc1)CCN([C@@H]1CCCOC1)CC2 ZINC000072474470 507795695 /nfs/dbraw/zinc/79/56/95/507795695.db2.gz ANQXRTMFKRMGMU-QGZVFWFLSA-N 0 3 360.454 2.531 50 0 FFAAHN O=C(c1ccc2nonc2c1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072480198 507797661 /nfs/dbraw/zinc/79/76/61/507797661.db2.gz PBYQHJAURQOFOD-UHFFFAOYSA-N 0 3 366.465 2.949 50 0 FFAAHN O=C(Nc1cccn(Cc2ccccc2)c1=O)NC1CCN(C2CC2)CC1 ZINC000079072502 507930664 /nfs/dbraw/zinc/93/06/64/507930664.db2.gz PAIANNCBCXJCOS-UHFFFAOYSA-N 0 3 366.465 2.645 50 0 FFAAHN C[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccccc2)CN1Cc1ccccc1 ZINC000079100147 507933333 /nfs/dbraw/zinc/93/33/33/507933333.db2.gz HAXJBODUNAQNBR-IEBWSBKVSA-N 0 3 358.507 2.713 50 0 FFAAHN O=C(CN1CCCCCC1)N1CC[C@]2(C1)CCCN(C1CCCC1)C2=O ZINC000091416596 507984252 /nfs/dbraw/zinc/98/42/52/507984252.db2.gz TXOGAMAICBJINI-NRFANRHFSA-N 0 3 361.530 2.646 50 0 FFAAHN CCc1ccc(CN2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)nc1 ZINC000091505778 507990920 /nfs/dbraw/zinc/99/09/20/507990920.db2.gz NXPNYADTCULBFV-FQEVSTJZSA-N 0 3 370.541 2.553 50 0 FFAAHN O=C(NCCNCc1cc(=O)c2cccc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000091745726 508007033 /nfs/dbraw/zinc/00/70/33/508007033.db2.gz STZLLBKAPCAMNC-UHFFFAOYSA-N 0 3 373.815 2.840 50 0 FFAAHN CN1CCC[C@@]2(CCN(Cc3sc(N4CCCC4)nc3Cl)C2)C1=O ZINC000091756467 508008662 /nfs/dbraw/zinc/00/86/62/508008662.db2.gz JSOOYFBUHDCVCK-KRWDZBQOSA-N 0 3 368.934 2.841 50 0 FFAAHN Cc1ccc2[nH]c(CN3CCCC[C@@H]3CN3CCOCC3)cc(=O)c2c1 ZINC000091830053 508017009 /nfs/dbraw/zinc/01/70/09/508017009.db2.gz VIKSNFALMASZFB-GOSISDBHSA-N 0 3 355.482 2.523 50 0 FFAAHN Cc1nc(C)c(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)o1 ZINC000091950713 508026787 /nfs/dbraw/zinc/02/67/87/508026787.db2.gz JCKQHHYSXUWWNM-UHFFFAOYSA-N 0 3 371.485 2.660 50 0 FFAAHN Cc1ccc(-c2ncc(C(=O)NC[C@H](c3ccco3)N(C)C)c(O)n2)cc1 ZINC000091951099 508026944 /nfs/dbraw/zinc/02/69/44/508026944.db2.gz HAHZZLJMZUKSOS-MRXNPFEDSA-N 0 3 366.421 2.783 50 0 FFAAHN Cn1c(Cn2ccnc2)nnc1C1CCN(Cc2ccc(F)cc2)CC1 ZINC000091974383 508028732 /nfs/dbraw/zinc/02/87/32/508028732.db2.gz WXVNLKVCHNUBGJ-UHFFFAOYSA-N 0 3 354.433 2.579 50 0 FFAAHN FC(F)(F)COc1cccc(CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000075104998 508083510 /nfs/dbraw/zinc/08/35/10/508083510.db2.gz LHOSMTBMIXNJAO-MRXNPFEDSA-N 0 3 358.404 2.782 50 0 FFAAHN CN(CCOc1ccccc1)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000075612179 508121730 /nfs/dbraw/zinc/12/17/30/508121730.db2.gz WYNLPBHTLYKYLJ-UHFFFAOYSA-N 0 3 356.470 2.520 50 0 FFAAHN O=C(NCc1cc(-c2cccnc2)no1)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000095355710 508174811 /nfs/dbraw/zinc/17/48/11/508174811.db2.gz JJINTIYHIOBGDY-MRXNPFEDSA-N 0 3 366.421 2.858 50 0 FFAAHN CN(CC1(CO)CCOCC1)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000095376057 508180091 /nfs/dbraw/zinc/18/00/91/508180091.db2.gz FBYCOUBTBGLMLF-UHFFFAOYSA-N 0 3 360.498 2.534 50 0 FFAAHN COc1cccc(CN2CCC[C@@]3(CCOC3)C2)c1OCCn1ccnc1 ZINC000095384353 508182292 /nfs/dbraw/zinc/18/22/92/508182292.db2.gz TZCCABRZZWQQFM-OAQYLSRUSA-N 0 3 371.481 2.973 50 0 FFAAHN O=C(NCc1noc(-c2cccs2)n1)C1CCN(Cc2ccco2)CC1 ZINC000095390830 508183626 /nfs/dbraw/zinc/18/36/26/508183626.db2.gz MNCIJBJRFBEYAM-UHFFFAOYSA-N 0 3 372.450 2.920 50 0 FFAAHN Cc1noc(C)c1COc1ccccc1C(=O)NCC1=CCN(C)CC1 ZINC000095463246 508186926 /nfs/dbraw/zinc/18/69/26/508186926.db2.gz USGBOBFRKXNNJC-UHFFFAOYSA-N 0 3 355.438 2.862 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2cc[nH]c2C)CC1 ZINC000095499083 508189563 /nfs/dbraw/zinc/18/95/63/508189563.db2.gz MOFVEYGQBNKUJG-SFHVURJKSA-N 0 3 374.529 2.556 50 0 FFAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1nccn1C ZINC000095501432 508190361 /nfs/dbraw/zinc/19/03/61/508190361.db2.gz JBYWDNYKKXUGFG-SFHVURJKSA-N 0 3 372.488 2.976 50 0 FFAAHN CCOC(=O)N1CCC(N2CCC3(CC2)Nc2ccccc2NC3=O)CC1 ZINC000082083875 508224970 /nfs/dbraw/zinc/22/49/70/508224970.db2.gz KKPFXCREGRUOCE-UHFFFAOYSA-N 0 3 372.469 2.506 50 0 FFAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccn(C)c(=O)c2)cc1 ZINC000082097410 508225257 /nfs/dbraw/zinc/22/52/57/508225257.db2.gz RFVFCULZCOHFCI-IBGZPJMESA-N 0 3 353.466 2.814 50 0 FFAAHN CCn1nc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)cc1C ZINC000082097402 508225549 /nfs/dbraw/zinc/22/55/49/508225549.db2.gz JJONDWKVHCVWQY-UHFFFAOYSA-N 0 3 352.482 2.527 50 0 FFAAHN C[C@@H](CN1CC2(CCN(CCC(=O)N(C)C)CC2)OC1=O)c1ccccc1 ZINC000077287291 508295699 /nfs/dbraw/zinc/29/56/99/508295699.db2.gz DNDSAGOSPBMEDI-KRWDZBQOSA-N 0 3 373.497 2.555 50 0 FFAAHN CSc1ccc(CN2CCC(c3nnc(CN(C)C)n3C)CC2)cc1 ZINC000077340988 508302367 /nfs/dbraw/zinc/30/23/67/508302367.db2.gz HFDORWBNHAQRDR-UHFFFAOYSA-N 0 3 359.543 2.978 50 0 FFAAHN c1nc(C2CCCCC2)ncc1CN1CCN([C@H]2CN3CCC2CC3)CC1 ZINC000077379298 508307562 /nfs/dbraw/zinc/30/75/62/508307562.db2.gz TXZGAKMAXGKSON-NRFANRHFSA-N 0 3 369.557 2.736 50 0 FFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-n2ccnc2)ccn1 ZINC000085558261 508311931 /nfs/dbraw/zinc/31/19/31/508311931.db2.gz AYGYJKCPPGLION-UHFFFAOYSA-N 0 3 361.449 2.662 50 0 FFAAHN CCN(C)C(=O)c1ccc(N2CCCN(Cc3cccs3)CC2)nc1 ZINC000077458336 508319235 /nfs/dbraw/zinc/31/92/35/508319235.db2.gz BTUMMVUVTVVJLU-UHFFFAOYSA-N 0 3 358.511 2.947 50 0 FFAAHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cnc(Cc2ccccc2)s1 ZINC000087304165 508346598 /nfs/dbraw/zinc/34/65/98/508346598.db2.gz JQGHMRRSQQBNHF-QGZVFWFLSA-N 0 3 373.522 2.917 50 0 FFAAHN CN(C)C[C@@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CCO1 ZINC000116795558 508563156 /nfs/dbraw/zinc/56/31/56/508563156.db2.gz PPJUYDDMQLUWQD-LLVKDONJSA-N 0 3 356.253 2.877 50 0 FFAAHN Cc1ccc([C@@H](O)CNCc2c(C(C)C)nn(C)c2N2CCOCC2)cc1 ZINC000236607677 509463890 /nfs/dbraw/zinc/46/38/90/509463890.db2.gz XWGISQIWJCPWLB-IBGZPJMESA-N 0 3 372.513 2.512 50 0 FFAAHN Cc1cc(C)n(Cc2cccc(CNC(=O)[C@@H](CN)c3ccccc3)c2)n1 ZINC000170677411 509714467 /nfs/dbraw/zinc/71/44/67/509714467.db2.gz UWPKSBCATUCAQO-NRFANRHFSA-N 0 3 362.477 2.907 50 0 FFAAHN COC1(CC(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)CCC1 ZINC000252507939 509846276 /nfs/dbraw/zinc/84/62/76/509846276.db2.gz WXUFKMJGQDWUMQ-GOSISDBHSA-N 0 3 373.497 2.751 50 0 FFAAHN Cc1cc(C)n(C2CN(C[C@H]3CN(Cc4ccccc4)CCCO3)C2)n1 ZINC000243956738 509857087 /nfs/dbraw/zinc/85/70/87/509857087.db2.gz CCZOXFTWSLMXRY-OAQYLSRUSA-N 0 3 354.498 2.648 50 0 FFAAHN O=C(NCCN1CCC[C@H](CO)C1)c1ccc(-c2cccc(F)c2)cc1 ZINC000244652092 509862322 /nfs/dbraw/zinc/86/23/22/509862322.db2.gz GZTQBLLAAIRSNH-INIZCTEOSA-N 0 3 356.441 2.927 50 0 FFAAHN O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)C1CCN(Cc2ccco2)CC1 ZINC000244883994 509876225 /nfs/dbraw/zinc/87/62/25/509876225.db2.gz YDGDYMGMUKAKFS-ZWOKBUDYSA-N 0 3 369.465 2.515 50 0 FFAAHN Cc1nnc([C@@H]2CN(C(=O)c3cccc(Cl)c3)CC23CCN(C)CC3)o1 ZINC000257174898 509943706 /nfs/dbraw/zinc/94/37/06/509943706.db2.gz LTPVJRHGFMENSZ-INIZCTEOSA-N 0 3 374.872 2.983 50 0 FFAAHN COc1cccc(-c2n[nH]cc2CN2CCC3(CC2)C[C@@H](O)CCO3)c1 ZINC000257191508 509952131 /nfs/dbraw/zinc/95/21/31/509952131.db2.gz QMGKOIAAQSYMFE-KRWDZBQOSA-N 0 3 357.454 2.591 50 0 FFAAHN C[C@H](CCC(=O)NCC1(c2ccc(Cl)cc2)CC1)N1CCN(C)CC1 ZINC000299798036 533791825 /nfs/dbraw/zinc/79/18/25/533791825.db2.gz PSIRSRHSQSPDET-MRXNPFEDSA-N 0 3 363.933 2.904 50 0 FFAAHN C[C@@H]1CN(CC(=O)N(C)C(c2ccccc2)c2ccccc2)C[C@H]1CO ZINC000190854913 510374540 /nfs/dbraw/zinc/37/45/40/510374540.db2.gz CEJSEZLBOGSEOK-XLIONFOSSA-N 0 3 352.478 2.795 50 0 FFAAHN Cn1cc(-c2cc(CN3CCC[C@H](C(=O)Nc4ccccc4)C3)on2)cn1 ZINC000184975394 510611239 /nfs/dbraw/zinc/61/12/39/510611239.db2.gz FEDXLXYQNUIQJE-HNNXBMFYSA-N 0 3 365.437 2.926 50 0 FFAAHN COc1ccccc1-c1ncc(CNC(=O)N2CCCN(C)CC2)s1 ZINC000426380201 513922118 /nfs/dbraw/zinc/92/21/18/513922118.db2.gz ZVYKXZBVTXLPNS-UHFFFAOYSA-N 0 3 360.483 2.666 50 0 FFAAHN O=C(NCC(c1ccccc1)c1ccccc1)NC[C@@H](O)CN1CCCC1 ZINC000426491044 513957668 /nfs/dbraw/zinc/95/76/68/513957668.db2.gz MFYSSJHBJFXZJS-HXUWFJFHSA-N 0 3 367.493 2.574 50 0 FFAAHN COCCCN(Cc1ccc(F)cc1)C(=O)NC[C@]1(C)CCN(C)C1 ZINC000426503189 513961862 /nfs/dbraw/zinc/96/18/62/513961862.db2.gz LXLMPSJNAKVIAU-IBGZPJMESA-N 0 3 351.466 2.716 50 0 FFAAHN CSCCN1CCC(NC(=O)c2ccc(-c3ccc(N)nc3)cc2)CC1 ZINC000426505961 513963340 /nfs/dbraw/zinc/96/33/40/513963340.db2.gz XGKHGYHJCUOJOB-UHFFFAOYSA-N 0 3 370.522 2.888 50 0 FFAAHN CCc1ccc(CN2CCc3c(C(=O)NCCN(C)C)csc3C2)nc1 ZINC000426602522 513993772 /nfs/dbraw/zinc/99/37/72/513993772.db2.gz OLHYIBLPHUYFBE-UHFFFAOYSA-N 0 3 372.538 2.555 50 0 FFAAHN CO[C@]12CCN(Cc3c(C)nn(C(C)C)c3C)[C@H]1C[C@@H](OCCO)CC2 ZINC000426640545 514001967 /nfs/dbraw/zinc/00/19/67/514001967.db2.gz SOSOEGYPSJOTBH-YSIASYRMSA-N 0 3 365.518 2.602 50 0 FFAAHN Cn1cc(CNC(=O)NC[C@@H]2CCN2C2CCCCC2)c(C(F)(F)F)n1 ZINC000527823004 517935592 /nfs/dbraw/zinc/93/55/92/517935592.db2.gz IWMGCDCHAYQXGQ-AWEZNQCLSA-N 0 3 373.423 2.645 50 0 FFAAHN Nc1ccnc(-c2ccc(C(=O)N3CCCC[C@@H]3CN3CCCC3)cc2)n1 ZINC000534676952 517996970 /nfs/dbraw/zinc/99/69/70/517996970.db2.gz LBMWUIMNNPIELB-GOSISDBHSA-N 0 3 365.481 2.647 50 0 FFAAHN COc1cc(C)c(CN2CCC(n3cc(C[C@@H](C)O)nn3)CC2)cc1C ZINC000023619571 518132330 /nfs/dbraw/zinc/13/23/30/518132330.db2.gz TZXLOHDEXMVOEH-MRXNPFEDSA-N 0 3 358.486 2.664 50 0 FFAAHN CC(C)CN1CCCn2nc(CNC(=O)NCc3ccccc3F)cc2C1 ZINC000082116263 519723250 /nfs/dbraw/zinc/72/32/50/519723250.db2.gz ZXJADSZBVORGRH-UHFFFAOYSA-N 0 3 373.476 2.883 50 0 FFAAHN Cc1ccc2ncccc2c1CNC(=O)CC[C@@H](C)N1CCN(C)CC1 ZINC000299791223 534523117 /nfs/dbraw/zinc/52/31/17/534523117.db2.gz CSKVEABFAXYJLX-QGZVFWFLSA-N 0 3 354.498 2.576 50 0 FFAAHN O=C(CN1Cc2ccccc2C1)NC1CCN(CCc2ccccc2)CC1 ZINC000299762568 534557152 /nfs/dbraw/zinc/55/71/52/534557152.db2.gz NSSSLWKEUACHQO-UHFFFAOYSA-N 0 3 363.505 2.826 50 0 FFAAHN CCOc1ccccc1CN1CCN(C2CCSCC2)C[C@@H]1CCO ZINC000020455865 521483631 /nfs/dbraw/zinc/48/36/31/521483631.db2.gz OGXSSDGXZVYKAC-IBGZPJMESA-N 0 3 364.555 2.850 50 0 FFAAHN CN(C)[C@H](CNC(=O)NCc1ccc(F)cc1)c1ccc2c(c1)CCO2 ZINC000090607313 522078788 /nfs/dbraw/zinc/07/87/88/522078788.db2.gz HTHDOSWWVQZPDX-GOSISDBHSA-N 0 3 357.429 2.863 50 0 FFAAHN COc1cc(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)cc(Cl)c1[O-] ZINC000020513390 522382224 /nfs/dbraw/zinc/38/22/24/522382224.db2.gz NAPHTFCSQSXAHK-HNNXBMFYSA-N 0 3 356.894 2.579 50 0 FFAAHN COc1cc(CN2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)cc(Cl)c1[O-] ZINC000020513390 522382234 /nfs/dbraw/zinc/38/22/34/522382234.db2.gz NAPHTFCSQSXAHK-HNNXBMFYSA-N 0 3 356.894 2.579 50 0 FFAAHN COc1ccc(CCC(=O)N2CCC([C@H](C)N3CCN(C)CC3)CC2)cc1 ZINC000082097106 523917136 /nfs/dbraw/zinc/91/71/36/523917136.db2.gz AAWFTKPYHQJRKD-SFHVURJKSA-N 0 3 373.541 2.502 50 0 FFAAHN C[C@@H](NCc1ccc(CN2CCN(C)CC2)cc1)c1cccc(CO)c1 ZINC000089905168 525520233 /nfs/dbraw/zinc/52/02/33/525520233.db2.gz CAOHFYAWGZYXGP-GOSISDBHSA-N 0 3 353.510 2.777 50 0 FFAAHN Ic1ccc(CN2CCN3CCCC[C@H]3C2)cc1 ZINC000249973236 526426546 /nfs/dbraw/zinc/42/65/46/526426546.db2.gz AFMXXCIPBOMZAX-HNNXBMFYSA-N 0 3 356.251 2.961 50 0 FFAAHN O=C(NCc1coc(-c2ccccc2)n1)[C@H]1CCCN1C1CCOCC1 ZINC000089851342 526807675 /nfs/dbraw/zinc/80/76/75/526807675.db2.gz LXUSVQPQMFDBJR-GOSISDBHSA-N 0 3 355.438 2.601 50 0 FFAAHN Cc1nc[nH]c1CN1CCC(n2cc(CN3CCCCCC3)nn2)CC1 ZINC000020855810 527211680 /nfs/dbraw/zinc/21/16/80/527211680.db2.gz RTFKDKLBVSBXDR-UHFFFAOYSA-N 0 3 357.506 2.523 50 0 FFAAHN O=C(NC1CCCC1)c1cn(C2CCN(Cc3ccccc3)CC2)nn1 ZINC000020293676 527511210 /nfs/dbraw/zinc/51/12/10/527511210.db2.gz CCSZIZVPVFQNJO-UHFFFAOYSA-N 0 3 353.470 2.788 50 0 FFAAHN CCc1cnc(C)nc1N1CCC(NCc2nc3ccccc3n2C)CC1 ZINC000095519790 536020689 /nfs/dbraw/zinc/02/06/89/536020689.db2.gz FFXOCHBDQRIFRK-UHFFFAOYSA-N 0 3 364.497 2.993 50 0 FFAAHN CCn1nc(C(=O)NCCN(C)C)cc1-c1cccc(C(F)(F)F)c1 ZINC000034901461 571147762 /nfs/dbraw/zinc/14/77/62/571147762.db2.gz LCGCZURAMGWCNP-UHFFFAOYSA-N 0 3 354.376 2.880 50 0 FFAAHN C[C@H](Cc1ccccc1)NS(=O)(=O)CCN[C@@H](C)Cc1ccccc1 ZINC000669368694 571173906 /nfs/dbraw/zinc/17/39/06/571173906.db2.gz CVBWMLQFSONOFO-ZWKOTPCHSA-N 0 3 360.523 2.758 50 0 FFAAHN CCc1ccc(CN2C[C@@H]3C(=O)N(CCc4ccccc4)C(=O)[C@@H]3C2)cc1 ZINC000169749039 571251018 /nfs/dbraw/zinc/25/10/18/571251018.db2.gz RJWUSYXWWLXBAT-OYRHEFFESA-N 0 3 362.473 2.909 50 0 FFAAHN CCN(C(=O)NCc1cccc(NC(=O)C2CCC2)c1)[C@H](C)CN(C)C ZINC000252493121 571280962 /nfs/dbraw/zinc/28/09/62/571280962.db2.gz MZPOJAYASFZVSK-OAHLLOKOSA-N 0 3 360.502 2.907 50 0 FFAAHN Cc1cc(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)on1 ZINC000095376411 968815070 /nfs/dbraw/zinc/81/50/70/968815070.db2.gz XLZMOYQWVBORJQ-CEWLAPEOSA-N 0 3 369.440 2.753 50 0 FFAAHN COc1ccc(CC[C@H](C)N2CCOC3(CCN(C(C)=O)CC3)C2)cc1 ZINC000824662317 999244863 /nfs/dbraw/zinc/24/48/63/999244863.db2.gz FYTLAOKFXPDWNQ-KRWDZBQOSA-N 0 3 360.498 2.730 50 0 FFAAHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cccn1C1CC1 ZINC000192231111 1001269671 /nfs/dbraw/zinc/26/96/71/1001269671.db2.gz ZUSKDFCVIYQXOW-LJQANCHMSA-N 0 3 353.466 2.844 50 0 FFAAHN Cn1cccc1-c1cc(C(=O)NC[C@H]2CCCN(Cc3ccco3)C2)[nH]n1 ZINC000952972053 1011016876 /nfs/dbraw/zinc/01/68/76/1011016876.db2.gz NSCVHCFQAIZWJF-OAHLLOKOSA-N 0 3 367.453 2.650 50 0 FFAAHN O=C(NCc1ccc(-c2ncon2)cc1)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000952989076 1011046337 /nfs/dbraw/zinc/04/63/37/1011046337.db2.gz HBFBFSYYHOJURV-QGZVFWFLSA-N 0 3 366.421 2.858 50 0 FFAAHN Cc1ccc(SC2CCN(C(=O)CN3CC[C@H](N(C)C)C3)CC2)cc1 ZINC000244626481 222926088 /nfs/dbraw/zinc/92/60/88/222926088.db2.gz FMLKBVWUJHPNIL-KRWDZBQOSA-N 0 3 361.555 2.714 50 0 FFAAHN COc1ccc(CNC(=O)CCN2CCC(c3n[nH]cc3C)CC2)cc1 ZINC000252488518 222972119 /nfs/dbraw/zinc/97/21/19/222972119.db2.gz IUBVOAXVZJLUSA-UHFFFAOYSA-N 0 3 356.470 2.613 50 0 FFAAHN COc1cc2cc(CNCCO)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000299785566 223095905 /nfs/dbraw/zinc/09/59/05/223095905.db2.gz MDMWEKYBKFNZSU-UHFFFAOYSA-N 0 3 374.481 2.681 50 0 FFAAHN Cn1cnnc1SCC(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000299797031 223102078 /nfs/dbraw/zinc/10/20/78/223102078.db2.gz OYCTYYAKRQWGJR-KRWDZBQOSA-N 0 3 373.526 2.641 50 0 FFAAHN Cc1nonc1C(=O)N1CC[C@]2(C1)CCCN(Cc1cccc(C)c1)C2 ZINC000012589050 220011285 /nfs/dbraw/zinc/01/12/85/220011285.db2.gz FPFREODJYDIOOR-HXUWFJFHSA-N 0 3 354.454 2.815 50 0 FFAAHN CC(C)/C=C/C(=O)N1CCC[C@H](CCC(=O)N(C)C2CCN(C)CC2)C1 ZINC000012747358 220023993 /nfs/dbraw/zinc/02/39/93/220023993.db2.gz NPKRXVUWDAJAKJ-PDFOZTTASA-N 0 3 363.546 2.770 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000013691169 220087416 /nfs/dbraw/zinc/08/74/16/220087416.db2.gz XBVODWZAVJNKIW-JCYILVPMSA-N 0 3 367.534 2.918 50 0 FFAAHN COc1c(Cl)cc(C(=O)N2CCOC23CCN(C)CC3)cc1Cl ZINC000013691552 220087446 /nfs/dbraw/zinc/08/74/46/220087446.db2.gz QPYYFCSSFDLBDN-UHFFFAOYSA-N 0 3 359.253 2.896 50 0 FFAAHN O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CNC1(c2ccccc2)CC1 ZINC000014968524 220137334 /nfs/dbraw/zinc/13/73/34/220137334.db2.gz KTUYCIHCFOPIDX-JOCHJYFZSA-N 0 3 368.452 2.958 50 0 FFAAHN COCCN1CCN(CC(c2ccccc2)c2ccccc2)CCC1=O ZINC000015002059 220139949 /nfs/dbraw/zinc/13/99/49/220139949.db2.gz ICGIMJJCZMACQE-UHFFFAOYSA-N 0 3 352.478 2.999 50 0 FFAAHN COc1ccc(CCN2C[C@@H](NC3Cc4ccccc4C3)CC2=O)cc1 ZINC000015065021 220144858 /nfs/dbraw/zinc/14/48/58/220144858.db2.gz AEDUCDNMCQDJOA-FQEVSTJZSA-N 0 3 350.462 2.596 50 0 FFAAHN COc1ccc(CC(=O)NC[C@@H]2CCCN(Cc3ccncc3)C2)cc1 ZINC000015072804 220145440 /nfs/dbraw/zinc/14/54/40/220145440.db2.gz ATKAHYYAWUDIMT-IBGZPJMESA-N 0 3 353.466 2.661 50 0 FFAAHN CN1CCN(C2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000019889823 220304088 /nfs/dbraw/zinc/30/40/88/220304088.db2.gz LEIZNTMQNIIWGI-UHFFFAOYSA-N 0 3 352.320 2.661 50 0 FFAAHN COCCn1c(C)cc(O)c([C@@H](c2ccccn2)N2CCC(C)CC2)c1=O ZINC000022697821 220395360 /nfs/dbraw/zinc/39/53/60/220395360.db2.gz RSERGTVWKTYGDL-HXUWFJFHSA-N 0 3 371.481 2.725 50 0 FFAAHN Cc1nn(C)c(C)c1CCC(=O)N(CCN(C)C)Cc1ccccc1C ZINC000055212042 221061879 /nfs/dbraw/zinc/06/18/79/221061879.db2.gz SYLBXGRAVHFIMS-UHFFFAOYSA-N 0 3 356.514 2.868 50 0 FFAAHN O=C(Nc1ccccc1)[C@H]1CCCN(C[C@H](O)c2ccc3c(c2)OCO3)C1 ZINC000058105319 221098909 /nfs/dbraw/zinc/09/89/09/221098909.db2.gz IVBVUMFCBFHJJO-WMZOPIPTSA-N 0 3 368.433 2.799 50 0 FFAAHN Cc1ccc(/C=C/C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)o1 ZINC000058264611 221111709 /nfs/dbraw/zinc/11/17/09/221111709.db2.gz HBWNHDGTDTVJOS-BQYQJAHWSA-N 0 3 367.449 2.937 50 0 FFAAHN Cc1nn(-c2ccccc2C)c(C)c1CNC[C@H]1CNc2ccnn2C1 ZINC000058315952 221113341 /nfs/dbraw/zinc/11/33/41/221113341.db2.gz JZHUXGMJLLEEOS-KRWDZBQOSA-N 0 3 350.470 2.826 50 0 FFAAHN C[C@H]1CCCCN1C1CN(Cc2ccc(C(=O)Nc3cnn(C)c3)cc2)C1 ZINC000065373721 221205555 /nfs/dbraw/zinc/20/55/55/221205555.db2.gz AOMKNGHCNBVKRX-INIZCTEOSA-N 0 3 367.497 2.731 50 0 FFAAHN CCN(CC(=O)NCc1ccc(NC(C)=O)cc1)[C@H]1CCOC(C)(C)C1 ZINC000065380693 221206798 /nfs/dbraw/zinc/20/67/98/221206798.db2.gz YPCCWXGGXXOELT-SFHVURJKSA-N 0 3 361.486 2.541 50 0 FFAAHN O=c1c2c3c(sc2ncn1CCCn1ncc2ccccc21)CNCC3 ZINC000065382663 221207597 /nfs/dbraw/zinc/20/75/97/221207597.db2.gz ORNYFHYCXMCVJV-UHFFFAOYSA-N 0 3 365.462 2.544 50 0 FFAAHN CCCN1CCN(Cc2cccc(C(=O)Nc3c(C)cnn3C)c2)CC1 ZINC000065408180 221214380 /nfs/dbraw/zinc/21/43/80/221214380.db2.gz OXTBCFFLQZAUPW-UHFFFAOYSA-N 0 3 355.486 2.508 50 0 FFAAHN C[C@H](Cn1cnc2ccccc2c1=O)NCc1cccc(-n2cccn2)c1 ZINC000065407079 221214836 /nfs/dbraw/zinc/21/48/36/221214836.db2.gz ALGLXOOVQFXSCB-MRXNPFEDSA-N 0 3 359.433 2.761 50 0 FFAAHN C[C@@H](Cn1cnc2ccccc2c1=O)NCc1cccc(-n2cccn2)c1 ZINC000065407078 221214958 /nfs/dbraw/zinc/21/49/58/221214958.db2.gz ALGLXOOVQFXSCB-INIZCTEOSA-N 0 3 359.433 2.761 50 0 FFAAHN Cc1ccc([C@H](NC(=O)CN2CCCN(C)CC2)c2cccnc2)c(C)c1 ZINC000065451511 221220084 /nfs/dbraw/zinc/22/00/84/221220084.db2.gz LTPHMJNNBYCLIP-JOCHJYFZSA-N 0 3 366.509 2.542 50 0 FFAAHN O=C(NCCNC(=O)c1cccc(CN2CCCC2)c1)c1ccc(F)cc1 ZINC000066410630 221244980 /nfs/dbraw/zinc/24/49/80/221244980.db2.gz XUAKAXBYQVDLHA-UHFFFAOYSA-N 0 3 369.440 2.581 50 0 FFAAHN CC[C@H]1CN(Cc2cccc(OC)c2OCCn2ccnc2)CC[C@@]1(C)O ZINC000067603811 221262343 /nfs/dbraw/zinc/26/23/43/221262343.db2.gz FUFKXPGQGVTYPB-GHTZIAJQSA-N 0 3 373.497 2.954 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N[C@@H](C)c3csc(C)n3)cnn2c1 ZINC000067673875 221268567 /nfs/dbraw/zinc/26/85/67/221268567.db2.gz ONAGJVUESJSMRP-LBPRGKRZSA-N 0 3 372.498 2.827 50 0 FFAAHN Cc1cc(C)n(C[C@H](C)NCCc2nc(=O)c3c(C)c(C)sc3[nH]2)n1 ZINC000067790652 221287640 /nfs/dbraw/zinc/28/76/40/221287640.db2.gz FNCDIZVNBHNKKZ-NSHDSACASA-N 0 3 359.499 2.636 50 0 FFAAHN COc1ccc(C(C)C)cc1CN1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000067847125 221293973 /nfs/dbraw/zinc/29/39/73/221293973.db2.gz ZXWWIPUXTCBRLD-UHFFFAOYSA-N 0 3 366.469 2.807 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N[C@@H]3CCc4ccccc43)cnn2c1 ZINC000067983401 221313104 /nfs/dbraw/zinc/31/31/04/221313104.db2.gz LCUXYRGNLFKTLE-LJQANCHMSA-N 0 3 363.465 2.988 50 0 FFAAHN O=C(NCCN1CCCCC1)c1cc(N2Cc3ccccc3C2)ccn1 ZINC000071524440 221350385 /nfs/dbraw/zinc/35/03/85/221350385.db2.gz HVOHJFUCCVEYAJ-UHFFFAOYSA-N 0 3 350.466 2.818 50 0 FFAAHN Cn1c(CN2CCCCCC2)nnc1C1CCN(c2ccncc2)CC1 ZINC000091792935 132204054 /nfs/dbraw/zinc/20/40/54/132204054.db2.gz XVTGOPXRWYVGAV-UHFFFAOYSA-N 0 3 354.502 2.970 50 0 FFAAHN CCN1CCN(c2ccc(NC(=O)Nc3cc(C)nn3C)c(C)c2)CC1 ZINC000052796769 136124652 /nfs/dbraw/zinc/12/46/52/136124652.db2.gz KHWQKXRMAXEXRS-UHFFFAOYSA-N 0 3 356.474 2.823 50 0 FFAAHN Cc1ccc2nc(N3CCC[C@H](O)C3)c(CN(C)CC3(C)COC3)cc2c1 ZINC000072429678 136146756 /nfs/dbraw/zinc/14/67/56/136146756.db2.gz SZFJQFUGEUDXJJ-IBGZPJMESA-N 0 3 369.509 2.973 50 0 FFAAHN Cc1nn(C)c2nc(-c3ccccn3)nc(N3CC(C)(C)N(C)C[C@@H]3C)c12 ZINC000072480252 136149663 /nfs/dbraw/zinc/14/96/63/136149663.db2.gz HJMAMDAEZFSHRQ-ZDUSSCGKSA-N 0 3 365.485 2.653 50 0 FFAAHN CC(C)(CNC(=O)[C@@H]1CC(=O)OC12CCCC2)N1CCc2ccccc2C1 ZINC000097532651 222190174 /nfs/dbraw/zinc/19/01/74/222190174.db2.gz KHFXMNXZBOAWBY-SFHVURJKSA-N 0 3 370.493 2.815 50 0 FFAAHN Cc1n[nH]c(CCC(=O)NCCN2CCC[C@H](c3ccccc3)C2)c1C ZINC000097713731 222207910 /nfs/dbraw/zinc/20/79/10/222207910.db2.gz OKHDYZIIAJGAAI-IBGZPJMESA-N 0 3 354.498 2.955 50 0 FFAAHN Cc1ccc(-c2n[nH]cc2CN2C[C@H]3[C@H](C(=O)NC(C)(C)C)[C@H]3C2)cc1 ZINC000102682352 222304313 /nfs/dbraw/zinc/30/43/13/222304313.db2.gz PBBDOLZRSVNESJ-PIIMJCKOSA-N 0 3 352.482 2.978 50 0 FFAAHN CC(C)CCN1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1CCO ZINC000104373820 222358013 /nfs/dbraw/zinc/35/80/13/222358013.db2.gz TUOBRUJZIDNDKD-HXUWFJFHSA-N 0 3 356.514 2.991 50 0 FFAAHN C[C@H](CN1CCCC1)OC(=O)c1ccccc1I ZINC000000641630 263141119 /nfs/dbraw/zinc/14/11/19/263141119.db2.gz MDDXWRBUFJYQFK-LLVKDONJSA-N 0 3 359.207 2.932 50 0 FFAAHN C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(-c3ccc([O-])cc3F)cc2)C1 ZINC000426647853 263649689 /nfs/dbraw/zinc/64/96/89/263649689.db2.gz BAJVKZUJQZKUPX-OAQYLSRUSA-N 0 3 372.440 2.727 50 0 FFAAHN COc1cc(OC)c(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1OC ZINC000003289133 506318349 /nfs/dbraw/zinc/31/83/49/506318349.db2.gz TWLTYPBHZPWBPR-MRXNPFEDSA-N 0 3 358.438 2.745 50 0 FFAAHN COc1ccc(CNC[C@H](O)COc2cccc3c2OC(C)(C)C3)cc1 ZINC000003293349 506319078 /nfs/dbraw/zinc/31/90/78/506319078.db2.gz GVLSRCLXXJQLHE-KRWDZBQOSA-N 0 3 357.450 2.938 50 0 FFAAHN Nc1[nH]nc2nc(NC[C@@H]3CCCO3)c3c(c12)CCN(C1CCCCC1)C3 ZINC000005207812 506428201 /nfs/dbraw/zinc/42/82/01/506428201.db2.gz YSKCFCKUNSOFLQ-AWEZNQCLSA-N 0 3 370.501 2.822 50 0 FFAAHN Nc1[nH]nc2nc(NC[C@H]3CCCO3)c3c(c12)CCN(C1CCCCC1)C3 ZINC000005207813 506429165 /nfs/dbraw/zinc/42/91/65/506429165.db2.gz YSKCFCKUNSOFLQ-CQSZACIVSA-N 0 3 370.501 2.822 50 0 FFAAHN COC(=O)c1ccc(C(=O)NCC2CCN(Cc3ccco3)CC2)cc1 ZINC000038583888 506439923 /nfs/dbraw/zinc/43/99/23/506439923.db2.gz LPPLTFRKQAJONM-UHFFFAOYSA-N 0 3 356.422 2.708 50 0 FFAAHN CCOC(=O)c1cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)n(C)n1 ZINC000005408486 506441142 /nfs/dbraw/zinc/44/11/42/506441142.db2.gz QPLKFONGRFSLML-UHFFFAOYSA-N 0 3 370.453 2.835 50 0 FFAAHN Cc1nc2ccccc2nc1CN1CCN(C2CCCC2)[C@H](CCO)C1 ZINC000039447148 506450032 /nfs/dbraw/zinc/45/00/32/506450032.db2.gz CRVYXDMABLEHEE-GOSISDBHSA-N 0 3 354.498 2.749 50 0 FFAAHN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)c2cccnc12 ZINC000041644357 506539323 /nfs/dbraw/zinc/53/93/23/506539323.db2.gz WNIGDLLABLACMP-HOTGVXAUSA-N 0 3 368.481 2.861 50 0 FFAAHN C[C@@H](O)c1ccc(-c2ccc(CNCCCSc3nnnn3C)o2)cc1 ZINC000007541283 506569734 /nfs/dbraw/zinc/56/97/34/506569734.db2.gz SJKTVMJPZDHVBP-CYBMUJFWSA-N 0 3 373.482 2.795 50 0 FFAAHN Cc1cccc(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1C ZINC000009875088 506715699 /nfs/dbraw/zinc/71/56/99/506715699.db2.gz OOBTUTWONKIABY-UHFFFAOYSA-N 0 3 358.486 2.641 50 0 FFAAHN COc1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)N(C)C)cc1 ZINC000010018862 506722802 /nfs/dbraw/zinc/72/28/02/506722802.db2.gz OVPAPMOCZZXFEJ-SFHVURJKSA-N 0 3 366.417 2.834 50 0 FFAAHN CCCc1ncc(CN2CC[C@H](C3CCN(c4ncccn4)CC3)C2)cn1 ZINC000011754237 506793515 /nfs/dbraw/zinc/79/35/15/506793515.db2.gz QALGBNZIRLHVJR-IBGZPJMESA-N 0 3 366.513 2.958 50 0 FFAAHN O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CNCc1cccc(F)c1 ZINC000011838335 506796824 /nfs/dbraw/zinc/79/68/24/506796824.db2.gz HNWZSJGCQXLXLH-HXUWFJFHSA-N 0 3 360.404 2.608 50 0 FFAAHN O=C(NC[C@H]1CCC2(CCN(Cc3ccc(O)cc3)CC2)O1)c1ccco1 ZINC000012026395 506809854 /nfs/dbraw/zinc/80/98/54/506809854.db2.gz OTSUHEFQXPCICQ-GOSISDBHSA-N 0 3 370.449 2.929 50 0 FFAAHN Cc1ncc(CN2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)n1C ZINC000012302512 506844632 /nfs/dbraw/zinc/84/46/32/506844632.db2.gz TVCFJLAJZJKWIW-OAQYLSRUSA-N 0 3 370.472 2.882 50 0 FFAAHN CC1CCN(CCNC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000058393570 507411414 /nfs/dbraw/zinc/41/14/14/507411414.db2.gz LIGUNIFNNPFATB-KRWDZBQOSA-N 0 3 362.493 2.683 50 0 FFAAHN COC[C@@H](C)NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072120799 507750153 /nfs/dbraw/zinc/75/01/53/507750153.db2.gz ONSAHSMRMMIODO-GOSISDBHSA-N 0 3 366.505 2.850 50 0 FFAAHN COc1c(C)cc(C(=O)N2CCC[C@H](N3CCC(CO)CC3)C2)cc1C ZINC000072133414 507755314 /nfs/dbraw/zinc/75/53/14/507755314.db2.gz CCYVIKYRRBHSGD-IBGZPJMESA-N 0 3 360.498 2.621 50 0 FFAAHN CN(C)Cc1ccc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)o1 ZINC000072141843 507756695 /nfs/dbraw/zinc/75/66/95/507756695.db2.gz YUACZFFBSPDMLM-IBGZPJMESA-N 0 3 367.493 2.657 50 0 FFAAHN COc1cccc([C@@H]2CN(Cc3snnc3C)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072144185 507756939 /nfs/dbraw/zinc/75/69/39/507756939.db2.gz DNSPAHQIEIDKAV-DFQSSKMNSA-N 0 3 370.522 2.917 50 0 FFAAHN CCn1ncc(S(=O)(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)c1C ZINC000072147740 507758382 /nfs/dbraw/zinc/75/83/82/507758382.db2.gz IMYUWQXAOMRGTK-MRXNPFEDSA-N 0 3 368.547 2.677 50 0 FFAAHN CN(C)S(=O)(=O)CCCN1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000072150459 507759524 /nfs/dbraw/zinc/75/95/24/507759524.db2.gz HLTDTTBDXWKNED-OAHLLOKOSA-N 0 3 374.497 2.891 50 0 FFAAHN Cn1c2ccccc2cc(CN2CCCN(Cc3cccnc3)CC2)c1=O ZINC000072150890 507760613 /nfs/dbraw/zinc/76/06/13/507760613.db2.gz GVKXEMYHUXLVIB-UHFFFAOYSA-N 0 3 362.477 2.641 50 0 FFAAHN Cc1ccc([C@@H]2CN(C(=O)c3cncnc3C)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072168548 507769028 /nfs/dbraw/zinc/76/90/28/507769028.db2.gz BOKUJHJHZCHWES-PWRODBHTSA-N 0 3 362.477 2.796 50 0 FFAAHN COC(=O)CCn1cc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cn1 ZINC000072436608 507791108 /nfs/dbraw/zinc/79/11/08/507791108.db2.gz BIRYDSDBHFZMAB-MRXNPFEDSA-N 0 3 367.453 2.702 50 0 FFAAHN Cc1ncc2c(c1CNC(=O)Cc1ccccc1C(F)(F)F)CCNC2 ZINC000072439215 507792302 /nfs/dbraw/zinc/79/23/02/507792302.db2.gz WNEYEKPAYVYNBH-UHFFFAOYSA-N 0 3 363.383 2.913 50 0 FFAAHN COc1ccc(CN2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)cc1 ZINC000072447353 507793009 /nfs/dbraw/zinc/79/30/09/507793009.db2.gz UHIUCNRNCKQAGW-SFHVURJKSA-N 0 3 369.513 2.799 50 0 FFAAHN Cc1ccsc1CN1C[C@H](O)[C@@H](N(C)CCc2scnc2C)C1 ZINC000072473880 507795356 /nfs/dbraw/zinc/79/53/56/507795356.db2.gz JCOBYQYJVXZBPF-GJZGRUSLSA-N 0 3 351.541 2.541 50 0 FFAAHN CN1CCC(N(CCc2ccccc2)C(=O)c2ccc(CO)cc2)CC1 ZINC000072481230 507797900 /nfs/dbraw/zinc/79/79/00/507797900.db2.gz OZIGMILVVRFWFS-UHFFFAOYSA-N 0 3 352.478 2.958 50 0 FFAAHN Cn1c(CN2CCC3(CCC(=O)N(CCO)C3)CC2)cc2cc(F)ccc21 ZINC000091518774 507990495 /nfs/dbraw/zinc/99/04/95/507990495.db2.gz VMVRSTJBGDGMCP-UHFFFAOYSA-N 0 3 373.472 2.514 50 0 FFAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1cccn1C)CC2 ZINC000091548225 507991946 /nfs/dbraw/zinc/99/19/46/507991946.db2.gz UXZXORHAZFOFIP-UHFFFAOYSA-N 0 3 355.486 2.538 50 0 FFAAHN CCNC(=O)c1ccnc(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)c1 ZINC000091603091 507995797 /nfs/dbraw/zinc/99/57/97/507995797.db2.gz SDHLLMZIXTXZJS-UYAOXDASSA-N 0 3 364.493 2.932 50 0 FFAAHN CCNC(=O)c1ccc(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)nc1 ZINC000091678576 508001509 /nfs/dbraw/zinc/00/15/09/508001509.db2.gz GBDOYXIDYJAUQB-UYAOXDASSA-N 0 3 364.493 2.932 50 0 FFAAHN Cc1c2cc(C)ccc2[nH]c1CN1C[C@H]2CC[C@@H]1CN(CC(=O)N(C)C)C2 ZINC000091847809 508018709 /nfs/dbraw/zinc/01/87/09/508018709.db2.gz YTADFIBNWPJALO-ZWKOTPCHSA-N 0 3 368.525 2.769 50 0 FFAAHN Cc1[nH]nc(CN2CC[C@@]3(C2)CCCN(CC2CCC2)C3=O)c1Cl ZINC000091986545 508030018 /nfs/dbraw/zinc/03/00/18/508030018.db2.gz CMKROLJZWWJLSD-GOSISDBHSA-N 0 3 350.894 2.986 50 0 FFAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cnc(-c3cccnc3)nc1C)C2 ZINC000092045762 508037020 /nfs/dbraw/zinc/03/70/20/508037020.db2.gz ZXWOKAYGLCKSOI-SJLPKXTDSA-N 0 3 365.481 2.793 50 0 FFAAHN COc1ccc([C@@H]2CN(Cc3ccc4c(c3)OCCO4)C[C@H]2N(C)C)cc1 ZINC000092065775 508038801 /nfs/dbraw/zinc/03/88/01/508038801.db2.gz JWWFBEORQQILBY-VQTJNVASSA-N 0 3 368.477 2.996 50 0 FFAAHN CSc1ncccc1C(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 ZINC000095360726 508176242 /nfs/dbraw/zinc/17/62/42/508176242.db2.gz FJJMAGOPWPOZOA-HNNXBMFYSA-N 0 3 373.526 2.581 50 0 FFAAHN O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCN(Cc2cccs2)CC1 ZINC000095371652 508178865 /nfs/dbraw/zinc/17/88/65/508178865.db2.gz HGNSDDBDXZJQAW-QGZVFWFLSA-N 0 3 373.522 2.898 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)CCSC)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095379764 508180830 /nfs/dbraw/zinc/18/08/30/508180830.db2.gz IAOQZGLSLIHTQS-DFQSSKMNSA-N 0 3 360.523 2.837 50 0 FFAAHN O=C(NCc1nc2cc(F)ccc2[nH]1)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095383653 508182281 /nfs/dbraw/zinc/18/22/81/508182281.db2.gz HDOLYAIKSFBUFM-ZDUSSCGKSA-N 0 3 356.401 2.823 50 0 FFAAHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000095499949 508190446 /nfs/dbraw/zinc/19/04/46/508190446.db2.gz CCAOUDIZCOTGRX-KRWDZBQOSA-N 0 3 357.458 2.651 50 0 FFAAHN Cc1cnc(CNC(=O)Nc2ccccc2OC2CCN(C)CC2)cn1 ZINC000095508608 508192709 /nfs/dbraw/zinc/19/27/09/508192709.db2.gz MAZHEFDHARBCJP-UHFFFAOYSA-N 0 3 355.442 2.580 50 0 FFAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)[C@@H]2CCCCO2)CC1 ZINC000095513103 508193118 /nfs/dbraw/zinc/19/31/18/508193118.db2.gz NQTIFFYXKNAHEN-NRFANRHFSA-N 0 3 374.525 2.977 50 0 FFAAHN O[C@H](COc1ccccc1CN1CCC(F)CC1)CN1CCCCC1 ZINC000095523419 508194999 /nfs/dbraw/zinc/19/49/99/508194999.db2.gz DGBMAVOQJQEPQI-IBGZPJMESA-N 0 3 350.478 2.846 50 0 FFAAHN Cn1ccnc1[C@H]1CCCN(C(=O)C2(c3ccccc3)CCN(C)CC2)C1 ZINC000082116973 508225865 /nfs/dbraw/zinc/22/58/65/508225865.db2.gz FHKBGGAMAJMWJX-SFHVURJKSA-N 0 3 366.509 2.790 50 0 FFAAHN O=C1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)CN1CCc1c[nH]cn1 ZINC000082116013 508226401 /nfs/dbraw/zinc/22/64/01/508226401.db2.gz LAYVMHJPPFFEMU-OAQYLSRUSA-N 0 3 370.472 2.996 50 0 FFAAHN O=C1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)CN1CCc1cnc[nH]1 ZINC000082116013 508226402 /nfs/dbraw/zinc/22/64/02/508226402.db2.gz LAYVMHJPPFFEMU-OAQYLSRUSA-N 0 3 370.472 2.996 50 0 FFAAHN c1nc(C2CCCCC2)ncc1CN1CCN([C@@H]2CN3CCC2CC3)CC1 ZINC000077379297 508307448 /nfs/dbraw/zinc/30/74/48/508307448.db2.gz TXZGAKMAXGKSON-OAQYLSRUSA-N 0 3 369.557 2.736 50 0 FFAAHN CCn1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1=O ZINC000077378221 508307721 /nfs/dbraw/zinc/30/77/21/508307721.db2.gz IYQRZFDNSHPDNC-UHFFFAOYSA-N 0 3 367.493 2.649 50 0 FFAAHN CN1CCC(N(CC(=O)N2CCc3ccccc32)Cc2ccncc2)CC1 ZINC000077472165 508320785 /nfs/dbraw/zinc/32/07/85/508320785.db2.gz VYGPAZLFBFKYQV-UHFFFAOYSA-N 0 3 364.493 2.567 50 0 FFAAHN COc1ccc([C@@H](N)CC(=O)N2CCC(c3ccncc3)CC2)cc1OC ZINC000077486985 508322869 /nfs/dbraw/zinc/32/28/69/508322869.db2.gz OGVAYJYCJGGFAW-SFHVURJKSA-N 0 3 369.465 2.895 50 0 FFAAHN O[C@@]1(CN2CCCC2)COCCN(c2nc3ccc(Cl)cc3s2)C1 ZINC000077565096 508335263 /nfs/dbraw/zinc/33/52/63/508335263.db2.gz GFGNLZMZWKMQPU-QGZVFWFLSA-N 0 3 367.902 2.613 50 0 FFAAHN COC[C@@H]1CCCN1Cc1ccc(OCC(=O)N2CCC(C)CC2)cc1 ZINC000215133094 509244819 /nfs/dbraw/zinc/24/48/19/509244819.db2.gz IQWHFBMUCHWQMC-IBGZPJMESA-N 0 3 360.498 2.935 50 0 FFAAHN COc1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H](N)C2CCCCC2)C3)c1 ZINC000215449000 509249169 /nfs/dbraw/zinc/24/91/69/509249169.db2.gz JXNACROSVWCAJV-IBGZPJMESA-N 0 3 368.481 2.878 50 0 FFAAHN COc1cccc(-c2nc3c([nH]2)CN(C(=O)[C@@H](N)C2CCCCC2)CC3)c1 ZINC000215449000 509249175 /nfs/dbraw/zinc/24/91/75/509249175.db2.gz JXNACROSVWCAJV-IBGZPJMESA-N 0 3 368.481 2.878 50 0 FFAAHN O=C(Cc1c[nH]c2ccccc12)N1CCCO[C@@H](CN2CCCCC2)C1 ZINC000216396666 509260317 /nfs/dbraw/zinc/26/03/17/509260317.db2.gz CLYFIEOJKRIANU-SFHVURJKSA-N 0 3 355.482 2.814 50 0 FFAAHN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNCC1(O)CCOCC1 ZINC000237855208 509753716 /nfs/dbraw/zinc/75/37/16/509753716.db2.gz IOKOHPWFWLDQHZ-UHFFFAOYSA-N 0 3 363.889 2.833 50 0 FFAAHN COC[C@@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1ccnn1C ZINC000252497518 509843819 /nfs/dbraw/zinc/84/38/19/509843819.db2.gz QJUDOSMFJGUKHP-LJQANCHMSA-N 0 3 370.497 2.526 50 0 FFAAHN CN(C)Cc1ccc([C@@H]2CCCN2C(=O)c2[nH]nc3c2COCC3)cc1 ZINC000244719146 509865889 /nfs/dbraw/zinc/86/58/89/509865889.db2.gz LXXCCYITNLSCRE-SFHVURJKSA-N 0 3 354.454 2.521 50 0 FFAAHN O=C(CN1CCCC[C@H]1CCn1cccn1)NCCc1ccc(F)cc1 ZINC000244893089 509876011 /nfs/dbraw/zinc/87/60/11/509876011.db2.gz YVMUFVDXXNZIPL-IBGZPJMESA-N 0 3 358.461 2.626 50 0 FFAAHN COc1ncc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1Cl ZINC000376095712 512658891 /nfs/dbraw/zinc/65/88/91/512658891.db2.gz VAXJZSIEEZKRLX-BBRMVZONSA-N 0 3 360.845 2.561 50 0 FFAAHN C[C@H]1CS(=O)(=O)C[C@H]1NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000368144066 512820134 /nfs/dbraw/zinc/82/01/34/512820134.db2.gz WDMMVWPLJYKBPP-HNAYVOBHSA-N 0 3 364.555 2.976 50 0 FFAAHN CC(C)CN1CCCn2nc(CNC(=O)c3onc4c3CCCC4)cc2C1 ZINC000426378220 513920132 /nfs/dbraw/zinc/92/01/32/513920132.db2.gz QOAFLODIZTZWRE-UHFFFAOYSA-N 0 3 371.485 2.542 50 0 FFAAHN O=C(CN1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2)NC1CC1 ZINC000426379660 513922236 /nfs/dbraw/zinc/92/22/36/513922236.db2.gz JJJKDTVHHXJGBP-FQEVSTJZSA-N 0 3 363.452 2.531 50 0 FFAAHN COc1cccc(N2CCN(C(=O)NC[C@H]3CCCN(C)C3)CC2(C)C)c1 ZINC000426489371 513956222 /nfs/dbraw/zinc/95/62/22/513956222.db2.gz MQIRMDRFQIVMCD-QGZVFWFLSA-N 0 3 374.529 2.647 50 0 FFAAHN C[C@@H]1CCCCN1C1CN(C(=O)NCCCn2ncc3ccccc32)C1 ZINC000426534499 513973026 /nfs/dbraw/zinc/97/30/26/513973026.db2.gz RVHPWGSSGSCSHM-MRXNPFEDSA-N 0 3 355.486 2.695 50 0 FFAAHN CCOc1cccc(CN(CC)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2OC)c1 ZINC000584887899 518523377 /nfs/dbraw/zinc/52/33/77/518523377.db2.gz TXLRLDRSNLUVBC-OALUTQOASA-N 0 3 363.502 2.724 50 0 FFAAHN CSc1ncc(CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)n1C ZINC000584894121 518526550 /nfs/dbraw/zinc/52/65/50/518526550.db2.gz WANJEKOGTTWVLS-MRXNPFEDSA-N 0 3 373.526 2.558 50 0 FFAAHN CN(C)CCN(C)c1ccc(Br)cc1NCc1ccnn1C ZINC000585138564 518545666 /nfs/dbraw/zinc/54/56/66/518545666.db2.gz BYPRHNLKZCJKMI-UHFFFAOYSA-N 0 3 366.307 2.793 50 0 FFAAHN CCOC(=O)N1CCN([C@H]2CCCN(Cc3c[nH]c4ccccc34)C2)CC1 ZINC000020778592 520961863 /nfs/dbraw/zinc/96/18/63/520961863.db2.gz IUGSLUQOHSXIEP-SFHVURJKSA-N 0 3 370.497 2.906 50 0 FFAAHN CCN(CC1CCN(c2ccccn2)CC1)C(=O)CN1CCC(C)CC1 ZINC000079110320 520976824 /nfs/dbraw/zinc/97/68/24/520976824.db2.gz RBRAQTFWJKAJFE-UHFFFAOYSA-N 0 3 358.530 2.878 50 0 FFAAHN CCCS(=O)(=O)C(C)C(=O)n1ccc(C)cc1=NC1CCCCC1 ZINC000606442650 521068734 /nfs/dbraw/zinc/06/87/34/521068734.db2.gz YKKAXXHKFXNKQK-HNNXBMFYSA-N 0 3 352.500 2.883 50 0 FFAAHN CN(CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCSC1 ZINC000089337154 522479286 /nfs/dbraw/zinc/47/92/86/522479286.db2.gz SYHVNWRHBHYFLL-HZPDHXFCSA-N 0 3 367.584 2.514 50 0 FFAAHN CC[C@@H]1Oc2ccccc2N(CC(=O)NCCN2[C@H](C)CCC[C@H]2C)C1=O ZINC000251641782 523606431 /nfs/dbraw/zinc/60/64/31/523606431.db2.gz MTUQHNGGEFFKKD-NUJGCVRESA-N 0 3 373.497 2.570 50 0 FFAAHN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)CCCc1ccc(OC)cc1)C2 ZINC000091562836 523887416 /nfs/dbraw/zinc/88/74/16/523887416.db2.gz OUVJIYKPPUQEGU-RTBURBONSA-N 0 3 360.498 2.587 50 0 FFAAHN O=C(c1cccnc1)[C@@H]1CCCN(Cc2ccc3c(c2)CNCCO3)C1 ZINC000299773311 534753891 /nfs/dbraw/zinc/75/38/91/534753891.db2.gz DIBWOWYLEFJKIB-GOSISDBHSA-N 0 3 351.450 2.659 50 0 FFAAHN Cc1cccc(Cc2nnc(CCC(=O)NCCN3CCCCC3)o2)c1 ZINC000020598592 524472205 /nfs/dbraw/zinc/47/22/05/524472205.db2.gz XRUOIISNXKTISB-UHFFFAOYSA-N 0 3 356.470 2.504 50 0 FFAAHN Cc1cc(CN2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)ccc1F ZINC000091616729 524686806 /nfs/dbraw/zinc/68/68/06/524686806.db2.gz UWHMBUKAJRPQAG-QGZVFWFLSA-N 0 3 368.460 2.887 50 0 FFAAHN CSc1ccc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)cc1 ZINC000082120023 525991292 /nfs/dbraw/zinc/99/12/92/525991292.db2.gz VOORXDCXNVBUPI-FQEVSTJZSA-N 0 3 362.539 2.996 50 0 FFAAHN Cc1cnc(NC[C@@H](c2cccnc2)N2CCCC2)nc1-c1ccnn1C ZINC000020785029 526092572 /nfs/dbraw/zinc/09/25/72/526092572.db2.gz XTULGIWGMLOYEG-SFHVURJKSA-N 0 3 363.469 2.830 50 0 FFAAHN C[C@H](C1CCN(C(=O)CCc2cccc(F)c2)CC1)N1CCN(C)CC1 ZINC000082120761 526216558 /nfs/dbraw/zinc/21/65/58/526216558.db2.gz VCCNIYUWBAKCML-QGZVFWFLSA-N 0 3 361.505 2.633 50 0 FFAAHN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2cc3n(n2)CCCNC3)c1 ZINC000082121115 526249880 /nfs/dbraw/zinc/24/98/80/526249880.db2.gz YXTDGAVDOWSLQF-MRXNPFEDSA-N 0 3 370.497 2.892 50 0 FFAAHN O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000084562543 571089590 /nfs/dbraw/zinc/08/95/90/571089590.db2.gz RJVGCETULLGHSI-RTWAWAEBSA-N 0 3 350.462 2.876 50 0 FFAAHN Cc1ncsc1CN1CCC2(CC1)C[C@@H](CC(=O)NC1CC1)CCO2 ZINC000169774128 728982261 /nfs/dbraw/zinc/98/22/61/728982261.db2.gz JYSKPJJBNOPXPA-OAHLLOKOSA-N 0 3 363.527 2.881 50 0 FFAAHN Cc1ccccc1S(=O)(=O)N1CC(N(CC(C)C)C2CCOCC2)C1 ZINC000581794601 845944204 /nfs/dbraw/zinc/94/42/04/845944204.db2.gz HODABFIOQRZEPZ-UHFFFAOYSA-N 0 3 366.527 2.505 50 0 FFAAHN Cc1nnc([C@@H]2CCN(Cc3ccccc3)CCN2CC2CCOCC2)[nH]1 ZINC000675012670 971488266 /nfs/dbraw/zinc/48/82/66/971488266.db2.gz BARYENZJDDGCHM-FQEVSTJZSA-N 0 3 369.513 2.789 50 0 FFAAHN Cc1c(CN2CCC3(C[C@H]3C(=O)NCc3ccccc3)CC2)cnn1C ZINC000011971983 987846383 /nfs/dbraw/zinc/84/63/83/987846383.db2.gz BGRDPZNZFLPVDC-IBGZPJMESA-N 0 3 352.482 2.647 50 0 FFAAHN CCCN1CCOC2(CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)C1 ZINC000822921703 998971684 /nfs/dbraw/zinc/97/16/84/998971684.db2.gz SIXVAQGISNRYGH-UHFFFAOYSA-N 0 3 370.497 2.599 50 0 FFAAHN O=C(NCCN1CCCC[C@@H]1CO)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000828710767 999579571 /nfs/dbraw/zinc/57/95/71/999579571.db2.gz CJUYSMYAOJMGSH-GFCCVEGCSA-N 0 3 363.355 2.813 50 0 FFAAHN O=c1[nH]n(CCNCc2ccc(-c3ccccn3)cc2)c(=O)c2ccccc21 ZINC000952982959 1011036664 /nfs/dbraw/zinc/03/66/64/1011036664.db2.gz NOWVNPWEDVACIT-UHFFFAOYSA-N 0 3 372.428 2.954 50 0 FFAAHN Cc1ccc2n[nH]c(C(=O)N3CCCC[C@@H]3CCN3CCOCC3)c2c1 ZINC000077387729 1020667547 /nfs/dbraw/zinc/66/75/47/1020667547.db2.gz UDNUOESXQAQLKL-MRXNPFEDSA-N 0 3 356.470 2.588 50 0 FFAAHN CNC(=O)c1cc[nH]c1[C@H]1CCCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000409420497 1033634537 /nfs/dbraw/zinc/63/45/37/1033634537.db2.gz FMAQYHUALPPXCX-HNNXBMFYSA-N 0 3 357.454 2.771 50 0 FFAAHN CN1CCCN(CC(=O)Nc2ccc(-c3cccc(F)c3F)cn2)CC1 ZINC001506407429 1059498248 /nfs/dbraw/zinc/49/82/48/1059498248.db2.gz OBXFRIVNFXMRCB-UHFFFAOYSA-N 0 3 360.408 2.603 50 0 FFAAHN Cc1nccn1CC(=O)N1CCCN(Cc2cc3ccccc3o2)CC1 ZINC001529159647 1062193652 /nfs/dbraw/zinc/19/36/52/1062193652.db2.gz WWZPFZPXQXAUMQ-UHFFFAOYSA-N 0 3 352.438 2.672 50 0 FFAAHN CO[C@H]1CN(Cc2cccc(Cn3cccn3)c2)C[C@H]1Cc1cc(C)no1 ZINC001529167289 1062196525 /nfs/dbraw/zinc/19/65/25/1062196525.db2.gz IGMGGZZNPWMELA-CTNGQTDRSA-N 0 3 366.465 2.917 50 0 FFAAHN Cc1nn(C)cc1C(=O)N1CCCN(CC2CCC(F)(F)CC2)CC1 ZINC001529192166 1062216529 /nfs/dbraw/zinc/21/65/29/1062216529.db2.gz PVRJTWDDJQPLLK-UHFFFAOYSA-N 0 3 354.445 2.702 50 0 FFAAHN CNC(=O)[C@@H]1C[C@H](NCc2ccccc2Cl)CN1Cc1ccccc1 ZINC000299780913 529911066 /nfs/dbraw/zinc/91/10/66/529911066.db2.gz AJOOZJDMILIWSF-HKUYNNGSSA-N 0 3 357.885 2.819 50 0 FFAAHN O=C(NCCN1CCC[C@H](CO)C1)Nc1ccc(-c2cscn2)cc1 ZINC000299785060 223097019 /nfs/dbraw/zinc/09/70/19/223097019.db2.gz IYQOLKZBITYLIH-AWEZNQCLSA-N 0 3 360.483 2.636 50 0 FFAAHN CO[C@]12CCN(Cc3[nH]nc4ncccc34)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000299768125 223087700 /nfs/dbraw/zinc/08/77/00/223087700.db2.gz GIMMPVRXECCXLS-ZAAXVRCTSA-N 0 3 356.470 2.897 50 0 FFAAHN NC(=O)c1cccc(-c2ccccc2OC[C@H](O)CN2CCCCC2)c1 ZINC000299787228 223096353 /nfs/dbraw/zinc/09/63/53/223096353.db2.gz ZVBBDYNFKYDTLQ-GOSISDBHSA-N 0 3 354.450 2.678 50 0 FFAAHN O=C1C[C@@H](CN2CCN(C3CCSCC3)CC2)CN1c1ccccc1 ZINC000299791934 223098715 /nfs/dbraw/zinc/09/87/15/223098715.db2.gz DHHCAWYZUPAPLD-KRWDZBQOSA-N 0 3 359.539 2.553 50 0 FFAAHN O=C(NCCN1CCC[C@@H](CO)C1)Nc1ccc(Oc2cccnc2)cc1 ZINC000299790721 223099756 /nfs/dbraw/zinc/09/97/56/223099756.db2.gz VLZIDZUZMJUQIY-MRXNPFEDSA-N 0 3 370.453 2.700 50 0 FFAAHN CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCc1ccco1)C2 ZINC000014747044 220131665 /nfs/dbraw/zinc/13/16/65/220131665.db2.gz YPSQZNGWBVGWMA-OAHLLOKOSA-N 0 3 356.470 2.769 50 0 FFAAHN Cc1ncc2c(c1-c1noc(-c3scc4c3OCCO4)n1)CCNC2 ZINC000019633523 220280458 /nfs/dbraw/zinc/28/04/58/220280458.db2.gz CGEKXURVOOYZME-UHFFFAOYSA-N 0 3 356.407 2.585 50 0 FFAAHN CCOc1ccc(NC(=O)C2=C(C)C(=O)OC23CCN(CC)CC3)cc1 ZINC000021868503 220369208 /nfs/dbraw/zinc/36/92/08/220369208.db2.gz WFWYMKQTBPTNKP-UHFFFAOYSA-N 0 3 358.438 2.752 50 0 biogenic FFAAHN COc1cccc(CNCc2ccccc2CN2CCN(C)CC2)c1OC ZINC000048783063 221014169 /nfs/dbraw/zinc/01/41/69/221014169.db2.gz HBIOUTGQAOAJDQ-UHFFFAOYSA-N 0 3 369.509 2.741 50 0 FFAAHN CN(CCCN1C(=O)NC(C)(C)C1=O)Cc1cc(Br)cs1 ZINC000052848056 221040260 /nfs/dbraw/zinc/04/02/60/221040260.db2.gz IFOMFBXSBVXJMS-UHFFFAOYSA-N 0 3 374.304 2.663 50 0 FFAAHN COC(=O)C1C(CNC2CCCCC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000057731161 221092803 /nfs/dbraw/zinc/09/28/03/221092803.db2.gz MJLNCYXOGXIYKQ-GOSISDBHSA-N 0 3 357.454 2.698 50 0 FFAAHN Cc1ccsc1[C@@H]1CCN(Cc2ccc(-n3cncn3)cc2)C[C@H]1O ZINC000065509301 221228727 /nfs/dbraw/zinc/22/87/27/221228727.db2.gz XSPSVOBIYJRTSE-QZTJIDSGSA-N 0 3 354.479 2.988 50 0 FFAAHN COCC(C)(C)NC[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067726078 221277388 /nfs/dbraw/zinc/27/73/88/221277388.db2.gz RNADKYIAOLBNMY-OAQYLSRUSA-N 0 3 362.514 2.678 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3ccc4c(c3)COC4)cnn2c1 ZINC000067787495 221285413 /nfs/dbraw/zinc/28/54/13/221285413.db2.gz LHODUBLJEMVYPI-UHFFFAOYSA-N 0 3 365.437 2.854 50 0 FFAAHN NC(=O)CCCN1CC=C(c2cnn(-c3nccc4ccccc43)c2)CC1 ZINC000067803754 221287465 /nfs/dbraw/zinc/28/74/65/221287465.db2.gz WJAUAJPAPZAEBA-UHFFFAOYSA-N 0 3 361.449 2.775 50 0 FFAAHN Cc1ccc2nc(CNC[C@@H](c3ccccn3)N3CCOCC3)[nH]c2c1C ZINC000067982291 221312309 /nfs/dbraw/zinc/31/23/09/221312309.db2.gz CORVPWVBJQIMER-IBGZPJMESA-N 0 3 365.481 2.738 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)c3ccncc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071753135 221363706 /nfs/dbraw/zinc/36/37/06/221363706.db2.gz RRHOPUFNVORONM-PWRODBHTSA-N 0 3 363.461 2.793 50 0 FFAAHN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCc1ccncc1OCCN(C)C ZINC000332053638 258211895 /nfs/dbraw/zinc/21/18/95/258211895.db2.gz NRLRYWVGPKVKOB-JFIYKMOQSA-N 0 3 360.502 2.885 50 0 FFAAHN Cc1cccnc1N1CCN(C(=O)CCc2nc3ccc(F)cc3[nH]2)CC1 ZINC000077456417 132186249 /nfs/dbraw/zinc/18/62/49/132186249.db2.gz CWBDJUBGGQKIRE-UHFFFAOYSA-N 0 3 367.428 2.687 50 0 FFAAHN Cc1cc(N2CCC(NCc3[nH]nc4c3CCC4)CC2)nc(C(C)C)n1 ZINC000095502583 132212220 /nfs/dbraw/zinc/21/22/20/132212220.db2.gz GEWBAZAFIMSQQJ-UHFFFAOYSA-N 0 3 354.502 2.879 50 0 FFAAHN CCOCCOc1ccccc1NC(=O)N1CCN(c2ccncc2)CC1 ZINC000096138216 132220145 /nfs/dbraw/zinc/22/01/45/132220145.db2.gz HNPIPCNYDSCJPM-UHFFFAOYSA-N 0 3 370.453 2.851 50 0 FFAAHN COc1ccc2[nH]c(=O)c(CN3CCN(c4ccncc4)CC3)cc2c1 ZINC000065427370 136136417 /nfs/dbraw/zinc/13/64/17/136136417.db2.gz AOYHCGIHWKTZHG-UHFFFAOYSA-N 0 3 350.422 2.666 50 0 FFAAHN Cc1ccc(-c2cn(C[C@@H]3CCCN(c4cc(C)nc(N)n4)C3)nn2)cc1 ZINC000065462350 136136623 /nfs/dbraw/zinc/13/66/23/136136623.db2.gz ACQXCJUOEAYMHP-MRXNPFEDSA-N 0 3 363.469 2.851 50 0 FFAAHN COc1ccc(CNC(=O)CCN2CCN(c3cccc(C)c3)CC2)cc1 ZINC000072794024 136149848 /nfs/dbraw/zinc/14/98/48/136149848.db2.gz SVXYVTMUJGRQSF-UHFFFAOYSA-N 0 3 367.493 2.832 50 0 FFAAHN c1ncn(Cc2nnc(C3CCN(Cc4ccccc4)CC3)n2C2CC2)n1 ZINC000091807466 221800432 /nfs/dbraw/zinc/80/04/32/221800432.db2.gz QYOAVFDZOZGKDL-UHFFFAOYSA-N 0 3 363.469 2.632 50 0 FFAAHN CN(C)CCn1ccnc1C1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000091915247 221814381 /nfs/dbraw/zinc/81/43/81/221814381.db2.gz ORVDZMAERCDXNZ-UHFFFAOYSA-N 0 3 366.509 2.953 50 0 FFAAHN Cc1nc([C@@H](O)c2ccc(C(F)(F)F)cc2)n(C2CCN(C)CC2)n1 ZINC000096152647 222054811 /nfs/dbraw/zinc/05/48/11/222054811.db2.gz MDVQLEYWYSSSAN-HNNXBMFYSA-N 0 3 354.376 2.954 50 0 FFAAHN CN1CCCN(Cc2nc(-c3ccco3)nn2-c2cccc(F)c2)CC1 ZINC000096163327 222063533 /nfs/dbraw/zinc/06/35/33/222063533.db2.gz WLQNIHGYTRKSDB-UHFFFAOYSA-N 0 3 355.417 2.804 50 0 FFAAHN CN1CCC(Oc2ccc(NC(=O)NCCNc3cccnc3)cc2)CC1 ZINC000096165744 222065141 /nfs/dbraw/zinc/06/51/41/222065141.db2.gz YJJKXRUXSPGWBM-UHFFFAOYSA-N 0 3 369.469 2.788 50 0 FFAAHN CC(C)NC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000096166593 222066654 /nfs/dbraw/zinc/06/66/54/222066654.db2.gz JHZOUXZDDQWSAV-ZDUSSCGKSA-N 0 3 352.866 2.646 50 0 FFAAHN CCOC(=O)N1CCN([C@H]2CCCN(Cc3sccc3C)C2)CC1 ZINC000096416648 222120122 /nfs/dbraw/zinc/12/01/22/222120122.db2.gz KMSHCJCRAFEJFD-INIZCTEOSA-N 0 3 351.516 2.795 50 0 FFAAHN O[C@H]1C[C@H]2CN(Cc3ccc(OCc4ccccc4)cc3)C[C@H]2C[C@@H]1O ZINC000097179397 222167681 /nfs/dbraw/zinc/16/76/81/222167681.db2.gz VVZMGTFUCXAFOT-MXNKGDRCSA-N 0 3 353.462 2.829 50 0 FFAAHN C[C@H](CCNC(=O)c1cccc(-c2ccc(O)cc2)c1)N1CCN(C)CC1 ZINC000097492412 222185190 /nfs/dbraw/zinc/18/51/90/222185190.db2.gz TWVUUHPOZIPESU-QGZVFWFLSA-N 0 3 367.493 2.815 50 0 FFAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)c2nn(C)c3c2CCCC3)C1 ZINC000097694624 222205467 /nfs/dbraw/zinc/20/54/67/222205467.db2.gz MBFVIPCJDHTLCG-KRWDZBQOSA-N 0 3 366.509 2.827 50 0 FFAAHN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCN(C2CCSCC2)CC1 ZINC000097743255 222208215 /nfs/dbraw/zinc/20/82/15/222208215.db2.gz QFCPHJXBUHMWLT-UHFFFAOYSA-N 0 3 374.485 2.869 50 0 FFAAHN Cc1[nH]c(=O)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c(C)c1Cl ZINC000097730003 222209183 /nfs/dbraw/zinc/20/91/83/222209183.db2.gz GSEDLRLVJHMCSW-HNNXBMFYSA-N 0 3 359.857 2.649 50 0 FFAAHN CC(C)CCN1CCN(Cc2nc(-c3ccccc3)no2)C[C@H]1CCO ZINC000104404076 222356716 /nfs/dbraw/zinc/35/67/16/222356716.db2.gz YQMSLXBIOQQPDZ-GOSISDBHSA-N 0 3 358.486 2.651 50 0 FFAAHN O[C@H](CNCc1ccc2c(c1)OCO2)CO[C@H]1CCCc2ccccc21 ZINC000003430271 506331361 /nfs/dbraw/zinc/33/13/61/506331361.db2.gz ZLLGYPNWRMFMKE-MJGOQNOKSA-N 0 3 355.434 2.960 50 0 FFAAHN CN1CCN(CCCNC(=O)NCc2ccccc2)[C@H](c2ccccc2)C1 ZINC000034675309 506367719 /nfs/dbraw/zinc/36/77/19/506367719.db2.gz DPDKURIVSPYUPD-NRFANRHFSA-N 0 3 366.509 2.865 50 0 FFAAHN O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCN(c2ccncc2)CC1 ZINC000034337337 506368707 /nfs/dbraw/zinc/36/87/07/506368707.db2.gz WABONJQOMVCUQW-UHFFFAOYSA-N 0 3 365.355 2.872 50 0 FFAAHN O=C(NCc1ccccc1OCC(F)(F)F)N1CCN2CCC1CC2 ZINC000375137029 512179136 /nfs/dbraw/zinc/17/91/36/512179136.db2.gz XEYHJBFEFNGQPI-UHFFFAOYSA-N 0 3 357.376 2.617 50 0 FFAAHN CC(=O)c1ccc(NC(=O)NC[C@H](CN(C)C)[C@H](O)c2ccccc2)cc1 ZINC000036396673 506406033 /nfs/dbraw/zinc/40/60/33/506406033.db2.gz JUGHORUXXYPYQE-UYAOXDASSA-N 0 3 369.465 2.922 50 0 FFAAHN C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)N1CCCN(C)CC1 ZINC000039978275 506456367 /nfs/dbraw/zinc/45/63/67/506456367.db2.gz JTHFOQJMFNBNIG-NSHDSACASA-N 0 3 361.820 2.906 50 0 FFAAHN Cc1ccccc1[C@H](OC[C@@H](O)CN1CCC[C@H](O)C1)c1ccccc1 ZINC000006451865 506484966 /nfs/dbraw/zinc/48/49/66/506484966.db2.gz LPAQJNMFSMKAPT-JAXLGGSGSA-N 0 3 355.478 2.919 50 0 FFAAHN CC[C@H](C)[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C(=O)OC ZINC000008690166 506661784 /nfs/dbraw/zinc/66/17/84/506661784.db2.gz FIKUABFGRMXMCJ-YJBOKZPZSA-N 0 3 361.486 2.538 50 0 FFAAHN CC(C)[C@H](C)NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000008735470 506665949 /nfs/dbraw/zinc/66/59/49/506665949.db2.gz ISMGSZNBSXBXKJ-SMDDNHRTSA-N 0 3 357.376 2.927 50 0 FFAAHN Cc1ccc(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1C ZINC000009875121 506716016 /nfs/dbraw/zinc/71/60/16/506716016.db2.gz SRZGFHZSMWJLAL-UHFFFAOYSA-N 0 3 358.486 2.641 50 0 FFAAHN CN1CCCCC[C@H]1C(=O)NCc1cccnc1-n1cnc2ccccc21 ZINC000011821758 506797911 /nfs/dbraw/zinc/79/79/11/506797911.db2.gz KWEQWYSXDCNCNM-IBGZPJMESA-N 0 3 363.465 2.911 50 0 FFAAHN O=C(CCC1CCN(Cc2cccc3nonc32)CC1)NC[C@@H]1CCCO1 ZINC000012026646 506809312 /nfs/dbraw/zinc/80/93/12/506809312.db2.gz GPVDUEBDFIAXIK-KRWDZBQOSA-N 0 3 372.469 2.510 50 0 FFAAHN CCCC[C@H]1CN(CCC(=O)NCC(C)(C)CO)Cc2ccccc2O1 ZINC000012191720 506831431 /nfs/dbraw/zinc/83/14/31/506831431.db2.gz LVHOOQNOJCRSMG-SFHVURJKSA-N 0 3 362.514 2.965 50 0 FFAAHN CSc1ncc(Cl)c(C(=O)NC[C@H](Cc2ccccc2)N(C)C)n1 ZINC000012552234 506878930 /nfs/dbraw/zinc/87/89/30/506878930.db2.gz CQZKZJBFFBCJOV-ZDUSSCGKSA-N 0 3 364.902 2.755 50 0 FFAAHN CN(Cc1ccccc1)C1(C(=O)NCc2ccncn2)Cc2ccccc2C1 ZINC000014954935 507007182 /nfs/dbraw/zinc/00/71/82/507007182.db2.gz MPGFJFDMDMSEDM-UHFFFAOYSA-N 0 3 372.472 2.762 50 0 FFAAHN Cc1nc(-c2cccc(N3CCC(N4CCNC(=O)CC4)CC3)c2)cs1 ZINC000020449662 507223307 /nfs/dbraw/zinc/22/33/07/507223307.db2.gz UOGBVJBFSGSOHK-UHFFFAOYSA-N 0 3 370.522 2.909 50 0 FFAAHN CCN1CCc2c(cccc2-n2nnc(C(=O)N[C@@H](C)C(C)C)c2C)C1 ZINC000069565095 507518788 /nfs/dbraw/zinc/51/87/88/507518788.db2.gz UKCDTUBPOTZIHG-AWEZNQCLSA-N 0 3 355.486 2.728 50 0 FFAAHN COc1cccc(CN2CCN(C[C@@H]3CCCN4CCCC[C@H]34)CC2=O)c1 ZINC000072120710 507749724 /nfs/dbraw/zinc/74/97/24/507749724.db2.gz DGMBFCKNNCARGN-PZJWPPBQSA-N 0 3 371.525 2.604 50 0 FFAAHN COc1ccccc1[C@H]1CN(Cc2cccnc2N)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072156922 507762733 /nfs/dbraw/zinc/76/27/33/507762733.db2.gz FGWRFYCQMVJMOP-HMXCVIKNSA-N 0 3 364.493 2.735 50 0 FFAAHN CN1CCC(Cc2noc(-c3cn(Cc4c(F)cccc4F)nn3)n2)CC1 ZINC000072156285 507763148 /nfs/dbraw/zinc/76/31/48/507763148.db2.gz KQJBKQPFBHQOBV-UHFFFAOYSA-N 0 3 374.395 2.539 50 0 FFAAHN CN1CCC(O)(Cn2ccnc2-c2ccc(Oc3ncccn3)cc2)CC1 ZINC000072161180 507765521 /nfs/dbraw/zinc/76/55/21/507765521.db2.gz FXPUAZSVODTPNB-UHFFFAOYSA-N 0 3 365.437 2.589 50 0 FFAAHN c1cncc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072162762 507765781 /nfs/dbraw/zinc/76/57/81/507765781.db2.gz OPGXSEKOZMTTBU-VLCRHTCISA-N 0 3 363.461 2.873 50 0 FFAAHN CN1CCc2[nH]nc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)c2C1 ZINC000072409921 507785336 /nfs/dbraw/zinc/78/53/36/507785336.db2.gz NUIAEOBGEWUACR-OAHLLOKOSA-N 0 3 367.478 2.985 50 0 FFAAHN CN1CCc2[nH]nc(C(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)c2C1 ZINC000072410721 507785497 /nfs/dbraw/zinc/78/54/97/507785497.db2.gz FCLQMYVNNIMXEE-UHFFFAOYSA-N 0 3 369.856 2.731 50 0 FFAAHN O=C1OC2(CN1CCOc1ccccc1)CCN([C@@H]1CCSC1)CC2 ZINC000072417886 507786009 /nfs/dbraw/zinc/78/60/09/507786009.db2.gz ISKKADYUJZIVTK-MRXNPFEDSA-N 0 3 362.495 2.858 50 0 FFAAHN O=C(CCc1cc2n(n1)CCCNC2)N1CC[C@H](c2ccccc2Cl)C1 ZINC000072418768 507786513 /nfs/dbraw/zinc/78/65/13/507786513.db2.gz AYQIGNDSHNBWBB-HNNXBMFYSA-N 0 3 372.900 2.979 50 0 FFAAHN OCCOc1cccc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)c1 ZINC000072418659 507786533 /nfs/dbraw/zinc/78/65/33/507786533.db2.gz LEFLDWVNADUMLC-QFIPXVFZSA-N 0 3 366.505 2.733 50 0 FFAAHN OCC[C@H]1CN(c2nc3ccccc3o2)CCN1CCc1ccccc1 ZINC000072475232 507795163 /nfs/dbraw/zinc/79/51/63/507795163.db2.gz JUKQTFMKQPPDTR-SFHVURJKSA-N 0 3 351.450 2.944 50 0 FFAAHN COc1ccc(CCCC(=O)N2CCC([C@H](C)N3CCOCC3)CC2)cc1 ZINC000072476902 507796371 /nfs/dbraw/zinc/79/63/71/507796371.db2.gz WNYQZUXYHYBYHO-SFHVURJKSA-N 0 3 374.525 2.977 50 0 FFAAHN Cc1ccccc1[C@H](Cn1cnc2cn(C)nc2c1=O)N1CCC(C)CC1 ZINC000072476942 507796440 /nfs/dbraw/zinc/79/64/40/507796440.db2.gz BUPXBSPIJDGMGN-IBGZPJMESA-N 0 3 365.481 2.912 50 0 FFAAHN CO[C@H]1[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2C12CC[NH2+]CC2 ZINC000072477903 507797116 /nfs/dbraw/zinc/79/71/16/507797116.db2.gz WWBJZNLPQFLPQM-MOPGFXCFSA-N 0 3 352.434 2.513 50 0 FFAAHN O=C(NCC1CCN(Cc2cccs2)CC1)N1CCOC[C@H]1C1CC1 ZINC000089894628 507880491 /nfs/dbraw/zinc/88/04/91/507880491.db2.gz OQOUERSGABEROH-SFHVURJKSA-N 0 3 363.527 2.781 50 0 FFAAHN Cc1c(CN2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)[nH]c2ccccc12 ZINC000091487119 507989801 /nfs/dbraw/zinc/98/98/01/507989801.db2.gz UQZPJSUCHVWYGY-QFIPXVFZSA-N 0 3 371.525 2.772 50 0 FFAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(OC)o1)CC2 ZINC000091486221 507990115 /nfs/dbraw/zinc/99/01/15/507990115.db2.gz IADZOFPYIROIIM-UHFFFAOYSA-N 0 3 372.469 2.801 50 0 FFAAHN CN1CCN(Cc2ccc(-c3ccccc3F)o2)C[C@]12CCNC(=O)CC2 ZINC000091665847 508001262 /nfs/dbraw/zinc/00/12/62/508001262.db2.gz HLCUTZSXRSUKMO-NRFANRHFSA-N 0 3 371.456 2.872 50 0 FFAAHN CCOc1cc(Cl)c(CN2CC[C@]3(C2)CCCNC3=O)cc1OC ZINC000091713670 508005055 /nfs/dbraw/zinc/00/50/55/508005055.db2.gz HPWNTSJLERMRDY-SFHVURJKSA-N 0 3 352.862 2.849 50 0 FFAAHN C[C@H](C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1)N1CCCC1 ZINC000091829931 508017348 /nfs/dbraw/zinc/01/73/48/508017348.db2.gz YMSJSBLMVZUIFA-QGZVFWFLSA-N 0 3 367.497 2.517 50 0 FFAAHN COc1cc(Cl)c(CN2CC[C@@]3(C2)CCCN(C)C3=O)c(OC)c1 ZINC000091876717 508021034 /nfs/dbraw/zinc/02/10/34/508021034.db2.gz DKORPCPCUBPWES-GOSISDBHSA-N 0 3 352.862 2.802 50 0 FFAAHN CC1(C)CN(Cc2cccc(Cl)c2)CC[C@]1(O)CN1CCOCC1 ZINC000091872851 508021158 /nfs/dbraw/zinc/02/11/58/508021158.db2.gz VPRKQUFXDUNYCF-IBGZPJMESA-N 0 3 352.906 2.635 50 0 FFAAHN Cc1ccc(C)c2c(=O)cc(CN[C@@H]3CCCN(C(=O)C4CC4)C3)[nH]c12 ZINC000091876933 508021689 /nfs/dbraw/zinc/02/16/89/508021689.db2.gz NWVHGGOAMDGWHW-MRXNPFEDSA-N 0 3 353.466 2.636 50 0 FFAAHN Nc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)cn1 ZINC000091894233 508022854 /nfs/dbraw/zinc/02/28/54/508022854.db2.gz BDOVIPSAEQXSQY-AZUAARDMSA-N 0 3 364.493 2.833 50 0 FFAAHN CN(C)CCN1CC2(CCC1=O)CCN(Cc1cc(F)cc(F)c1)CC2 ZINC000091914958 508024615 /nfs/dbraw/zinc/02/46/15/508024615.db2.gz AFSSDMYMRRTTKI-UHFFFAOYSA-N 0 3 365.468 2.731 50 0 FFAAHN CN(C)CCn1ccnc1C1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000091943080 508026388 /nfs/dbraw/zinc/02/63/88/508026388.db2.gz ZBOCMLBUIOBEMR-UHFFFAOYSA-N 0 3 362.424 2.743 50 0 FFAAHN Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000091997848 508031371 /nfs/dbraw/zinc/03/13/71/508031371.db2.gz MQFWNEMBTSEBFN-SQUITACLSA-N 0 3 362.481 2.953 50 0 FFAAHN CN1CCC(Cc2nc(-c3n[nH]c4c3CCC4)n(CC(F)(F)F)n2)CC1 ZINC000095374014 508179117 /nfs/dbraw/zinc/17/91/17/508179117.db2.gz VQKMFHLFIHHCMK-UHFFFAOYSA-N 0 3 368.407 2.604 50 0 FFAAHN Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)on1 ZINC000095380564 508181218 /nfs/dbraw/zinc/18/12/18/508181218.db2.gz LLXBRIBNGVQUJO-MAUKXSAKSA-N 0 3 351.450 2.687 50 0 FFAAHN O=C(c1ccc(Cn2ccnc2)o1)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 ZINC000095382014 508181460 /nfs/dbraw/zinc/18/14/60/508181460.db2.gz NLWWEEAERQWMME-QZTJIDSGSA-N 0 3 368.481 2.861 50 0 FFAAHN CN(Cc1ccc2c(c1)CN(C)C2)C(=O)[C@H](c1cccnc1)N1CCCC1 ZINC000095384332 508182341 /nfs/dbraw/zinc/18/23/41/508182341.db2.gz HATPKTPWALCNFU-NRFANRHFSA-N 0 3 364.493 2.823 50 0 FFAAHN CCN1CC[C@]2(CN(Cc3ccc(SC)cc3)CCN2C)CCC1=O ZINC000095387275 508182925 /nfs/dbraw/zinc/18/29/25/508182925.db2.gz FDWXEMHHEILGLZ-FQEVSTJZSA-N 0 3 361.555 2.927 50 0 FFAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2ccnnc2)C1 ZINC000095496992 508189654 /nfs/dbraw/zinc/18/96/54/508189654.db2.gz DSBQLUOUPZONAH-KRWDZBQOSA-N 0 3 368.481 2.512 50 0 FFAAHN CCCN1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(O)c(C)c1)CC2 ZINC000095498387 508189696 /nfs/dbraw/zinc/18/96/96/508189696.db2.gz YUIMJCBVPROMOP-UHFFFAOYSA-N 0 3 368.481 2.823 50 0 FFAAHN CN1CCC(CN(CCc2ccccc2)C(=O)C(=O)c2cccnc2)CC1 ZINC000095497320 508189968 /nfs/dbraw/zinc/18/99/68/508189968.db2.gz XDUPMKJHRCTIOP-UHFFFAOYSA-N 0 3 365.477 2.677 50 0 FFAAHN CC(=O)c1cccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)c1 ZINC000095526158 508195555 /nfs/dbraw/zinc/19/55/55/508195555.db2.gz SEMOXIYBTJVMQW-LJQANCHMSA-N 0 3 368.481 2.667 50 0 FFAAHN CC(C)C(=O)N1CCC(N2CCC3(CC2)Nc2ccccc2NC3=O)CC1 ZINC000082092560 508225287 /nfs/dbraw/zinc/22/52/87/508225287.db2.gz CMBMMAAKGMPGBY-UHFFFAOYSA-N 0 3 370.497 2.532 50 0 FFAAHN O=C(CCN1CCC2(CC1)Nc1ccccc1NC2=O)NC1CCCCC1 ZINC000082127731 508226671 /nfs/dbraw/zinc/22/66/71/508226671.db2.gz XQFXPKTYSXGUOH-UHFFFAOYSA-N 0 3 370.497 2.724 50 0 FFAAHN O=c1[n-]c(NCc2nc(-c3ccc(F)cc3)cs2)nc2c1CC[NH2+]C2 ZINC000077338983 508301650 /nfs/dbraw/zinc/30/16/50/508301650.db2.gz AURVKGYUTHLGKF-UHFFFAOYSA-N 0 3 357.414 2.703 50 0 FFAAHN COc1ccc(OCCN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077426178 508315039 /nfs/dbraw/zinc/31/50/39/508315039.db2.gz YXBQDDJOAKUHNV-NRFANRHFSA-N 0 3 358.482 2.941 50 0 FFAAHN C[C@@H](CC(=O)N1CCCN(C2Cc3ccccc3C2)CC1)n1ccnc1 ZINC000077452119 508317248 /nfs/dbraw/zinc/31/72/48/508317248.db2.gz UWRBAMNWBCKOPW-KRWDZBQOSA-N 0 3 352.482 2.536 50 0 FFAAHN O=C(CCCn1ccnc1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000077457929 508319346 /nfs/dbraw/zinc/31/93/46/508319346.db2.gz URWZFWSFGSYILN-UHFFFAOYSA-N 0 3 356.514 2.776 50 0 FFAAHN CC(=O)NCC1CCN(Cc2cc(F)ccc2-n2nc(C)cc2C)CC1 ZINC000077459401 508319374 /nfs/dbraw/zinc/31/93/74/508319374.db2.gz PKJGRVBCMGMCOC-UHFFFAOYSA-N 0 3 358.461 2.976 50 0 FFAAHN Cc1cc(-n2cccn2)ccc1-c1nccn1C[C@H](C)N1CCN(C)CC1 ZINC000077556221 508334175 /nfs/dbraw/zinc/33/41/75/508334175.db2.gz NXCCRBKQEFAXQP-SFHVURJKSA-N 0 3 364.497 2.680 50 0 FFAAHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)C1 ZINC000155362665 508986166 /nfs/dbraw/zinc/98/61/66/508986166.db2.gz YRHCADKNYGSEBC-QAPCUYQASA-N 0 3 359.514 2.807 50 0 FFAAHN CN1CCC(N(CCn2c3ccccc3oc2=O)Cc2cccnc2)CC1 ZINC000215994905 509255444 /nfs/dbraw/zinc/25/54/44/509255444.db2.gz JNDDGCQAUNCVDX-UHFFFAOYSA-N 0 3 366.465 2.586 50 0 FFAAHN Cc1[nH]c2ccccc2c1CCNC(=O)CC[C@@H](C)N1CCN(C)CC1 ZINC000219010757 509283124 /nfs/dbraw/zinc/28/31/24/509283124.db2.gz ZTIXOFODBNMLOM-MRXNPFEDSA-N 0 3 356.514 2.551 50 0 FFAAHN Cc1[nH]c2ccccc2c1CCNC(=O)CC[C@H](C)N1CCN(C)CC1 ZINC000219010821 509283700 /nfs/dbraw/zinc/28/37/00/509283700.db2.gz ZTIXOFODBNMLOM-INIZCTEOSA-N 0 3 356.514 2.551 50 0 FFAAHN O=C(NCCc1nc(Cc2ccccc2)no1)C1(N2CCCC2)CCCC1 ZINC000222311245 509314425 /nfs/dbraw/zinc/31/44/25/509314425.db2.gz RKINSKSVGKLKCO-UHFFFAOYSA-N 0 3 368.481 2.728 50 0 FFAAHN O=S(=O)(/C=C/c1ccccc1)NCC1CCN([C@@H]2CCSC2)CC1 ZINC000225572402 509378760 /nfs/dbraw/zinc/37/87/60/509378760.db2.gz RRUKVFUSGJAPIA-FHLIRTJZSA-N 0 3 366.552 2.794 50 0 FFAAHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCc1ccccc1C(F)(F)F ZINC000170086061 509666524 /nfs/dbraw/zinc/66/65/24/509666524.db2.gz XUVFIMKRMVXMNQ-KGLIPLIRSA-N 0 3 350.406 2.655 50 0 FFAAHN CCN1CCN(Cc2ccc(NC(=O)c3ccc(N(C)C)cn3)cc2)CC1 ZINC000170595769 509674327 /nfs/dbraw/zinc/67/43/27/509674327.db2.gz LXUCUQQLBLZWFF-UHFFFAOYSA-N 0 3 367.497 2.537 50 0 FFAAHN Cc1noc(C)c1CC(=O)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000252488730 509842547 /nfs/dbraw/zinc/84/25/47/509842547.db2.gz IXRFGHBTJXMVOS-UHFFFAOYSA-N 0 3 353.466 2.536 50 0 FFAAHN Cc1nc(CCN(C)C(=O)CC2CCN(Cc3ccccc3)CC2)no1 ZINC000244633546 509862260 /nfs/dbraw/zinc/86/22/60/509862260.db2.gz GETVCKZQYJQBFB-UHFFFAOYSA-N 0 3 356.470 2.681 50 0 FFAAHN Cc1cc(C)n([C@@H]2CCN(CCC(=O)Nc3nnc(C4CC4)s3)C2)n1 ZINC000244873259 509873246 /nfs/dbraw/zinc/87/32/46/509873246.db2.gz WMRYCFLWBGTESH-CQSZACIVSA-N 0 3 360.487 2.504 50 0 FFAAHN CN(CCC(=O)NCc1ccccc1F)C[C@H]1COc2ccccc2O1 ZINC000244852614 509873850 /nfs/dbraw/zinc/87/38/50/509873850.db2.gz UVRWIDVKPQQNHE-INIZCTEOSA-N 0 3 358.413 2.604 50 0 FFAAHN Cc1ccc(CN2CCC(CNc3cc([C@H]4C[C@@H](O)C4)ncn3)CC2)o1 ZINC000244874380 509874088 /nfs/dbraw/zinc/87/40/88/509874088.db2.gz XAGLTELXDAMJIA-CALCHBBNSA-N 0 3 356.470 2.940 50 0 FFAAHN COC[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1c1nc(C)no1 ZINC000253414978 509879110 /nfs/dbraw/zinc/87/91/10/509879110.db2.gz ZGVDXBUZEAYISA-DLBZAZTESA-N 0 3 353.426 2.630 50 0 FFAAHN CC(C)c1noc([C@H]2CCCN(Cc3cccnc3)CCC(=O)NCC2)n1 ZINC000257181541 509948137 /nfs/dbraw/zinc/94/81/37/509948137.db2.gz NIKARZYNFKHCBH-KRWDZBQOSA-N 0 3 371.485 2.864 50 0 FFAAHN Cn1cc(-c2ccccc2CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)cn1 ZINC000333598790 511296318 /nfs/dbraw/zinc/29/63/18/511296318.db2.gz MFWJUUPONCGZQB-OAQYLSRUSA-N 0 3 367.497 2.714 50 0 FFAAHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc2c(c1)CCN2C(=O)C(C)(C)C ZINC000371931974 512640163 /nfs/dbraw/zinc/64/01/63/512640163.db2.gz PWXWYQWGNXUHSN-RDTXWAMCSA-N 0 3 369.509 2.834 50 0 FFAAHN CC(C)(O)CN1CCc2c(cccc2NCc2cnn(CC(F)F)c2)C1 ZINC000367909683 512718571 /nfs/dbraw/zinc/71/85/71/512718571.db2.gz FCRQCIBEWPHUDM-UHFFFAOYSA-N 0 3 364.440 2.889 50 0 FFAAHN CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(-c2cc(N)ccn2)cc1 ZINC000426386241 513923160 /nfs/dbraw/zinc/92/31/60/513923160.db2.gz BDJHXILBGPLZFV-LJQANCHMSA-N 0 3 366.465 2.804 50 0 FFAAHN COc1ccc(-c2cccc(C(=O)N[C@H]3CN(C(C)C)C[C@@H]3OC)c2)cn1 ZINC000426398948 513927116 /nfs/dbraw/zinc/92/71/16/513927116.db2.gz AQIDPLQNBRCYFI-OALUTQOASA-N 0 3 369.465 2.595 50 0 FFAAHN Cc1cccc(-c2ccc(C(=O)N3CCC[C@@](O)(CN(C)C)C3)cc2)n1 ZINC000426428785 513937931 /nfs/dbraw/zinc/93/79/31/513937931.db2.gz NHEMCTMFGFPKDC-OAQYLSRUSA-N 0 3 353.466 2.586 50 0 FFAAHN COCCN1CC[C@H](CNC(=O)c2ccc(-c3ccncc3F)cc2)C1 ZINC000426442870 513942423 /nfs/dbraw/zinc/94/24/23/513942423.db2.gz HYNUSKRYWFGMRS-OAHLLOKOSA-N 0 3 357.429 2.586 50 0 FFAAHN CN1CC[C@H](NC(=O)c2ccc(-c3ccc(N4CCOCC4)cc3)cc2)C1 ZINC000426489348 513956461 /nfs/dbraw/zinc/95/64/61/513956461.db2.gz JYNPNFNVYQUYLA-FQEVSTJZSA-N 0 3 365.477 2.624 50 0 FFAAHN C[C@@H](Cc1cccs1)NC(=O)N1CCC(N2CCSCC2)CC1 ZINC000426584125 513987342 /nfs/dbraw/zinc/98/73/42/513987342.db2.gz UFSBIECMVFYNNS-AWEZNQCLSA-N 0 3 353.557 2.902 50 0 FFAAHN C[C@H](Cc1cccs1)NC(=O)N1CCC(N2CCSCC2)CC1 ZINC000426584129 513987792 /nfs/dbraw/zinc/98/77/92/513987792.db2.gz UFSBIECMVFYNNS-CQSZACIVSA-N 0 3 353.557 2.902 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000426658493 514008200 /nfs/dbraw/zinc/00/82/00/514008200.db2.gz QFLGCEIHVPTZGE-GOSISDBHSA-N 0 3 364.921 2.652 50 0 FFAAHN COc1ccc(NC(=O)NC[C@@H](c2ccccc2C)N(C)C)cc1C(N)=O ZINC000426746350 514031111 /nfs/dbraw/zinc/03/11/11/514031111.db2.gz VDYMBLMLNCOPIR-KRWDZBQOSA-N 0 3 370.453 2.527 50 0 FFAAHN CCc1cnc(N2CCN(C(=O)c3ccccc3CN(C)C)CC2)s1 ZINC000486410725 515472514 /nfs/dbraw/zinc/47/25/14/515472514.db2.gz UTXVKFNKNLUEHS-UHFFFAOYSA-N 0 3 358.511 2.730 50 0 FFAAHN Nc1ccnc(-c2ccc(C(=O)N3CCCN(C4CCCC4)CC3)cc2)n1 ZINC000534658725 517989219 /nfs/dbraw/zinc/98/92/19/517989219.db2.gz IKSRTQHSZOMZAV-UHFFFAOYSA-N 0 3 365.481 2.647 50 0 FFAAHN CC1CCN(CCNC(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)CC1 ZINC000534661631 517990306 /nfs/dbraw/zinc/99/03/06/517990306.db2.gz UJNQFXGXQUUDEU-NRFANRHFSA-N 0 3 373.541 2.744 50 0 FFAAHN COC(=O)c1ccc(-c2cccc(C(=O)N3CCCNCC3)c2)cc1OC ZINC000584897789 518528853 /nfs/dbraw/zinc/52/88/53/518528853.db2.gz BPUARFUGZYAATO-UHFFFAOYSA-N 0 3 368.433 2.584 50 0 FFAAHN CC(=O)Nc1ccc(N2C(=O)C[C@H](N[C@@H]3CCC[C@@H](C)[C@H]3C)C2=O)cc1 ZINC000245333833 519721422 /nfs/dbraw/zinc/72/14/22/519721422.db2.gz AZTKASKUVGNYGP-HLNSBACISA-N 0 3 357.454 2.691 50 0 FFAAHN CC(C)CN1CCCn2nc(CNC(=O)CCc3ccc(O)cc3)cc2C1 ZINC000082099573 519723347 /nfs/dbraw/zinc/72/33/47/519723347.db2.gz VSLVHTJMFOTYMS-UHFFFAOYSA-N 0 3 370.497 2.699 50 0 FFAAHN CCCN1CCCn2nc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2C1 ZINC000082106872 519855401 /nfs/dbraw/zinc/85/54/01/519855401.db2.gz AIGBOEGVMRNEJX-VQTJNVASSA-N 0 3 352.482 2.919 50 0 FFAAHN CN(CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCSC1 ZINC000089337152 522479637 /nfs/dbraw/zinc/47/96/37/522479637.db2.gz SYHVNWRHBHYFLL-JKSUJKDBSA-N 0 3 367.584 2.514 50 0 FFAAHN COC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000245256782 522890573 /nfs/dbraw/zinc/89/05/73/522890573.db2.gz STOBRSJMJNWINW-KDOFPFPSSA-N 0 3 357.454 2.650 50 0 FFAAHN CN1CCN(CCCNC(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000020818772 523896027 /nfs/dbraw/zinc/89/60/27/523896027.db2.gz VAHXCHIZNWIPJP-UHFFFAOYSA-N 0 3 355.935 2.576 50 0 FFAAHN Cc1cc2occ(CC(=O)NCCN3CCCC[C@@H]3CO)c2cc1Cl ZINC000216533084 525696252 /nfs/dbraw/zinc/69/62/52/525696252.db2.gz IHFTYSLMDQJDTD-OAHLLOKOSA-N 0 3 364.873 2.900 50 0 FFAAHN Cc1ccc(-c2csc(NC(=O)CN3CCN4CCC[C@H]4C3)n2)cc1 ZINC000245226214 525781867 /nfs/dbraw/zinc/78/18/67/525781867.db2.gz KTZOZQYLYCRQDC-INIZCTEOSA-N 0 3 356.495 2.837 50 0 FFAAHN COc1cccc(CN2CCC[C@H](NCc3cnc(SC)nc3)C2)c1 ZINC000020601099 525941781 /nfs/dbraw/zinc/94/17/81/525941781.db2.gz RZNZZQRLDTWHDM-KRWDZBQOSA-N 0 3 358.511 2.961 50 0 FFAAHN O=C(CN1CC[C@@]2(C1)CCCN(CC1CCC1)C2=O)N1CCCCCC1 ZINC000091636743 526804623 /nfs/dbraw/zinc/80/46/23/526804623.db2.gz UADRXGUCBQGDTE-OAQYLSRUSA-N 0 3 361.530 2.504 50 0 FFAAHN CC(=O)c1c(C)nn([C@H](C)CC(=O)N2CCN(CC3CCCC3)CC2)c1C ZINC000299769700 527173296 /nfs/dbraw/zinc/17/32/96/527173296.db2.gz SZSFLDYPAUMMLR-OAHLLOKOSA-N 0 3 374.529 2.988 50 0 FFAAHN Cc1ncc2c(c1-c1noc(COCC(F)(F)C(F)F)n1)CCNC2 ZINC000020537487 527316811 /nfs/dbraw/zinc/31/68/11/527316811.db2.gz AMCZGGLTBSBMCD-UHFFFAOYSA-N 0 3 360.311 2.503 50 0 FFAAHN CCCOCCN1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000072148648 535233686 /nfs/dbraw/zinc/23/36/86/535233686.db2.gz FNIFBEIQCPGTEK-IBGZPJMESA-N 0 3 361.530 2.708 50 0 FFAAHN CCN1c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2CC1=O ZINC000075509385 570616341 /nfs/dbraw/zinc/61/63/41/570616341.db2.gz DJKPWKPPEPYQNM-UHFFFAOYSA-N 0 3 355.482 2.686 50 0 FFAAHN C[C@H]1CCCCN1CCNC(=O)CC1CCN(C(=O)c2ccccc2)CC1 ZINC000032974111 571146460 /nfs/dbraw/zinc/14/64/60/571146460.db2.gz LHAAIJGERBOURX-SFHVURJKSA-N 0 3 371.525 2.920 50 0 FFAAHN O=C(NCCN1CCCC[C@@H]1CO)c1ccc(COc2ccccc2)cc1 ZINC000670459262 571356201 /nfs/dbraw/zinc/35/62/01/571356201.db2.gz MNDIWSIJLGUHCX-HXUWFJFHSA-N 0 3 368.477 2.842 50 0 FFAAHN CN1CCO[C@@H](C(=O)N2CCN(C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000675012025 971486673 /nfs/dbraw/zinc/48/66/73/971486673.db2.gz YUXSUMHLQUBJQS-LEWJYISDSA-N 0 3 371.525 2.535 50 0 FFAAHN Cc1ccc(NC(=O)N2CCn3c(nnc3C3CCN(C)CC3)C2)cc1C ZINC000675013945 971489909 /nfs/dbraw/zinc/48/99/09/971489909.db2.gz BKCLMYADNJVFOP-UHFFFAOYSA-N 0 3 368.485 2.752 50 0 FFAAHN Cn1cccc1-c1cc(C(=O)NC2CCN(Cc3cccs3)CC2)[nH]n1 ZINC000828211789 999561430 /nfs/dbraw/zinc/56/14/30/999561430.db2.gz UPIPWNJCOCIZHQ-UHFFFAOYSA-N 0 3 369.494 2.871 50 0 FFAAHN C[C@@H](c1ccccn1)N(C)Cc1ccccc1OCCN1CCN(C)CC1 ZINC000952977400 1011020457 /nfs/dbraw/zinc/02/04/57/1011020457.db2.gz IBWPJUWRNVZALX-IBGZPJMESA-N 0 3 368.525 2.901 50 0 FFAAHN CN(Cc1[nH]nc2c1CCCCC2)C1CCN(C(=O)c2cccnc2)CC1 ZINC001506407079 1059499146 /nfs/dbraw/zinc/49/91/46/1059499146.db2.gz IMPLBNDILKZEIE-UHFFFAOYSA-N 0 3 367.497 2.810 50 0 FFAAHN CN1CCC(CNC(=O)c2cc(C(F)(F)F)n[nH]2)(c2ccccc2)CC1 ZINC000299759298 530049382 /nfs/dbraw/zinc/04/93/82/530049382.db2.gz FSWXOMRIVZQKGV-UHFFFAOYSA-N 0 3 366.387 2.822 50 0 FFAAHN CN1CCC(OC(=O)c2cc3cc(Br)ccc3oc2=O)CC1 ZINC000000720120 219317144 /nfs/dbraw/zinc/31/71/44/219317144.db2.gz LNIVKEZMQMFOIO-UHFFFAOYSA-N 0 3 366.211 2.807 50 0 FFAAHN N=c1n(CCN2CCCCC2)c2ccccc2n1C[C@@H](O)c1ccco1 ZINC000000858744 219332242 /nfs/dbraw/zinc/33/22/42/219332242.db2.gz WLLGNVXNXLBIKF-GOSISDBHSA-N 0 3 354.454 2.735 50 0 FFAAHN Cc1ccc(C(=O)N2CCCC[C@H]2CCN2CCN(C)CC2)n1C(F)F ZINC000299768502 223087270 /nfs/dbraw/zinc/08/72/70/223087270.db2.gz OABBVDAORPEKOX-INIZCTEOSA-N 0 3 368.472 2.824 50 0 FFAAHN NC(=O)c1cccc(-c2ccccc2OC[C@@H](O)CN2CCCCC2)c1 ZINC000299787234 223096934 /nfs/dbraw/zinc/09/69/34/223096934.db2.gz ZVBBDYNFKYDTLQ-SFHVURJKSA-N 0 3 354.450 2.678 50 0 FFAAHN CCCCc1ccc([C@@H](NCc2cc(=O)n(C)c(=O)n2C)C(C)C)cc1 ZINC000012794944 220031762 /nfs/dbraw/zinc/03/17/62/220031762.db2.gz YFKKDAYHBNZEOG-FQEVSTJZSA-N 0 3 357.498 2.914 50 0 FFAAHN Cc1coc2cc3oc(=O)c(CCC(=O)NCCN(C)C)c(C)c3cc12 ZINC000012902612 220041450 /nfs/dbraw/zinc/04/14/50/220041450.db2.gz XZMMDLNMEOLJLX-UHFFFAOYSA-N 0 3 356.422 2.766 50 0 biogenic FFAAHN Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@H](N2CCCCC2)CC3)o1 ZINC000014748467 220131891 /nfs/dbraw/zinc/13/18/91/220131891.db2.gz DFFFEYBVOMBWHE-OAHLLOKOSA-N 0 3 356.470 2.595 50 0 FFAAHN CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC000015773638 220164331 /nfs/dbraw/zinc/16/43/31/220164331.db2.gz AJQRCQDPUGSVIN-HXUWFJFHSA-N 0 3 365.477 2.603 50 0 FFAAHN CN(C(=O)c1csc2nc(-c3cccc(F)c3)cn12)[C@H]1CCN(C)C1 ZINC000019334144 220252005 /nfs/dbraw/zinc/25/20/05/220252005.db2.gz ZUGRRWTVPYKOMI-AWEZNQCLSA-N 0 3 358.442 2.978 50 0 FFAAHN Cc1nc2sccn2c1CN1CCN(C2CCCCC2)[C@@H](CCO)C1 ZINC000020539850 220333013 /nfs/dbraw/zinc/33/30/13/220333013.db2.gz KCXIXCDYQYAQIU-KRWDZBQOSA-N 0 3 362.543 2.906 50 0 FFAAHN O=C(C1CCCCC1)N1CCC(NCc2cnc(N3CCCC3)nc2)CC1 ZINC000048712266 221015040 /nfs/dbraw/zinc/01/50/40/221015040.db2.gz XSQMNZOUZSKBLR-UHFFFAOYSA-N 0 3 371.529 2.738 50 0 FFAAHN CC(C)(N)c1cn(CC2CCN(C(=O)NC3CCCCCC3)CC2)nn1 ZINC000055168315 221060689 /nfs/dbraw/zinc/06/06/89/221060689.db2.gz FEZMUYASJXLOOX-UHFFFAOYSA-N 0 3 362.522 2.616 50 0 FFAAHN Cc1ccc(CNC[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)s1 ZINC000055166969 221060772 /nfs/dbraw/zinc/06/07/72/221060772.db2.gz YSLRJLZGBYPUEI-LJQANCHMSA-N 0 3 362.470 2.839 50 0 FFAAHN Cc1ccc(CNC[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)s1 ZINC000055166973 221061235 /nfs/dbraw/zinc/06/12/35/221061235.db2.gz YSLRJLZGBYPUEI-IBGZPJMESA-N 0 3 362.470 2.839 50 0 FFAAHN Cc1ccc2nc(C)c(C(=O)N3C[C@H](O)[C@@H](N4CCCCC4)C3)cc2c1 ZINC000055252313 221064117 /nfs/dbraw/zinc/06/41/17/221064117.db2.gz ZCXSLTFNQWIMNZ-PMACEKPBSA-N 0 3 353.466 2.523 50 0 FFAAHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C[C@H](O)COc1ccccc1 ZINC000053420497 221046456 /nfs/dbraw/zinc/04/64/56/221046456.db2.gz CIDGMBODUSHFJI-LPHOPBHVSA-N 0 3 352.438 2.700 50 0 FFAAHN COCCN1CC[C@H](CNC(=O)Nc2nnc(C3CCCCC3)s2)C1 ZINC000058112311 221098129 /nfs/dbraw/zinc/09/81/29/221098129.db2.gz UGTQUPKNGYWSKK-CYBMUJFWSA-N 0 3 367.519 2.676 50 0 FFAAHN Cc1c2cccc(C)c2oc1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000060359733 221129847 /nfs/dbraw/zinc/12/98/47/221129847.db2.gz QRUZEQFDILBALD-KRWDZBQOSA-N 0 3 371.481 2.722 50 0 FFAAHN COc1ccc(CNC[C@H](c2cccc(F)c2)N2CCOCC2)cc1O ZINC000058247481 221111299 /nfs/dbraw/zinc/11/12/99/221111299.db2.gz XSYZJDJBYSQFLB-GOSISDBHSA-N 0 3 360.429 2.703 50 0 FFAAHN CC(C)N1CCN(C(=O)c2cccc3[nH]cc(CN4CCCC4)c32)CC1 ZINC000065135827 221171674 /nfs/dbraw/zinc/17/16/74/221171674.db2.gz FBMJFCLKJFTXOS-UHFFFAOYSA-N 0 3 354.498 2.930 50 0 FFAAHN CCN(CC)[C@H](Cn1cnc2sc3c(c2c1=O)CCNC3)c1ccco1 ZINC000065373591 221205019 /nfs/dbraw/zinc/20/50/19/221205019.db2.gz RVVXHKSLDMZUHG-CQSZACIVSA-N 0 3 372.494 2.780 50 0 FFAAHN CNC(=O)[C@H]1CCN(Cc2ccc(C(=O)Nc3cc(F)ccc3C)cc2)C1 ZINC000065405200 221213032 /nfs/dbraw/zinc/21/30/32/221213032.db2.gz SGBSEJLDYSIHNK-KRWDZBQOSA-N 0 3 369.440 2.954 50 0 FFAAHN CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000065826935 221237453 /nfs/dbraw/zinc/23/74/53/221237453.db2.gz XKDSAAUISNBUBV-NZSAHSFTSA-N 0 3 357.498 2.587 50 0 FFAAHN Cc1ccc2ncccc2c1CNC[C@]1(O)CCCN(CC2CCC2)C1=O ZINC000067643664 221265476 /nfs/dbraw/zinc/26/54/76/221265476.db2.gz XOKHNQHMZYBHLE-JOCHJYFZSA-N 0 3 367.493 2.786 50 0 FFAAHN O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CNCc1cccc(F)c1 ZINC000067895460 221302148 /nfs/dbraw/zinc/30/21/48/221302148.db2.gz JKGBSSQBWCVHEM-JOCHJYFZSA-N 0 3 370.468 2.902 50 0 FFAAHN CC(C)[C@H]1CN(CCc2cn[nH]c2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071738585 221356993 /nfs/dbraw/zinc/35/69/93/221356993.db2.gz BTHFAYSJZFBZLC-LJQANCHMSA-N 0 3 358.461 2.850 50 0 FFAAHN Cc1cnn(CCC(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000071730507 221356259 /nfs/dbraw/zinc/35/62/59/221356259.db2.gz XBRABWRBSNOEFL-KSEOMHKRSA-N 0 3 364.493 2.670 50 0 FFAAHN Cc1noc(C)c1CS(=O)(=O)C(C)C(=O)NC[C@H](C)c1ccccc1 ZINC000071853556 221383288 /nfs/dbraw/zinc/38/32/88/221383288.db2.gz DXGIUDVSWIIBQE-WFASDCNBSA-N 0 3 364.467 2.515 50 0 FFAAHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1C[C@]12CCOC2 ZINC000329757888 258146632 /nfs/dbraw/zinc/14/66/32/258146632.db2.gz ZQNRQPDDAJNKKO-QFUCXCTJSA-N 0 3 358.482 2.632 50 0 FFAAHN Cc1ccc(N2C[C@H](Cc3ccccc3)N(C(=O)C(C)(C)N)CC2=O)cc1 ZINC000091452465 132201689 /nfs/dbraw/zinc/20/16/89/132201689.db2.gz FSWNYJATAYFRIN-IBGZPJMESA-N 0 3 365.477 2.519 50 0 FFAAHN Cc1ccc(-c2ccnc(N3CCC(NCc4cc[nH]n4)CC3)n2)c(C)n1 ZINC000096164562 132221384 /nfs/dbraw/zinc/22/13/84/132221384.db2.gz DTYLXAJWSXQVGY-UHFFFAOYSA-N 0 3 363.469 2.637 50 0 FFAAHN NC(=O)C1(N2CCCCC2)CCN(c2cc(Cl)c3cc[nH]c3n2)CC1 ZINC000072168852 136143597 /nfs/dbraw/zinc/14/35/97/136143597.db2.gz RQTFOLLFIWELLN-UHFFFAOYSA-N 0 3 361.877 2.527 50 0 FFAAHN Cc1cc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(=O)[nH]c1C ZINC000072477955 221551480 /nfs/dbraw/zinc/55/14/80/221551480.db2.gz ZSXOVGUGEWRDDB-UHFFFAOYSA-N 0 3 369.509 2.718 50 0 FFAAHN Fc1ccccc1-n1nc(COc2ccccc2)nc1C[C@H]1CNCCO1 ZINC000096153291 222054337 /nfs/dbraw/zinc/05/43/37/222054337.db2.gz PRLXKLSKXDZETL-INIZCTEOSA-N 0 3 368.412 2.516 50 0 FFAAHN COCc1cccc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)n1 ZINC000097323899 222174027 /nfs/dbraw/zinc/17/40/27/222174027.db2.gz DHZXYUDRXGTDFF-GOSISDBHSA-N 0 3 353.466 2.837 50 0 FFAAHN Cc1ccc(-c2cccc(CN3CCC4(CC3)N=C(N(C)C)NC4=O)c2)o1 ZINC000097527909 222187975 /nfs/dbraw/zinc/18/79/75/222187975.db2.gz OULQTIHMHVCDAJ-UHFFFAOYSA-N 0 3 366.465 2.637 50 0 FFAAHN Fc1ccc(-n2cc(CN3CCCO[C@H](CN4CCCC4)C3)cn2)cc1 ZINC000097717056 222207888 /nfs/dbraw/zinc/20/78/88/222207888.db2.gz LEPNJXQJQAVVMD-HXUWFJFHSA-N 0 3 358.461 2.698 50 0 FFAAHN O=C(c1ccc(N2CC[C@@H](N3CC=CC3)C2)nc1)N1CCc2ccccc21 ZINC000101341802 222269632 /nfs/dbraw/zinc/26/96/32/222269632.db2.gz HFUXXNWBHLDPBH-LJQANCHMSA-N 0 3 360.461 2.735 50 0 FFAAHN COc1ccccc1CN1C[C@H]2[C@H](C(=O)NC3Cc4ccccc4C3)[C@H]2C1 ZINC000102757597 222307615 /nfs/dbraw/zinc/30/76/15/222307615.db2.gz FEOUZBJZLSBNJE-XVAYZXCPSA-N 0 3 362.473 2.657 50 0 FFAAHN Cc1ccccc1CN1CCN(Cc2cccc3nonc32)C[C@H]1CCO ZINC000104436200 222357044 /nfs/dbraw/zinc/35/70/44/222357044.db2.gz FJPFFSQFZAYHAI-LJQANCHMSA-N 0 3 366.465 2.600 50 0 FFAAHN CN1CCN(Cc2ccc(-c3ccccc3F)o2)C[C@@]12CCNC(=O)CC2 ZINC000107411368 222393704 /nfs/dbraw/zinc/39/37/04/222393704.db2.gz HLCUTZSXRSUKMO-OAQYLSRUSA-N 0 3 371.456 2.872 50 0 FFAAHN CC(C)(C)CN1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1CCO ZINC000020454819 263380702 /nfs/dbraw/zinc/38/07/02/263380702.db2.gz VOHJVWDOCAOOCB-FQEVSTJZSA-N 0 3 374.504 2.926 50 0 FFAAHN COC(=O)c1ccc(OC[C@H](O)CN(C)Cc2ccc(Cl)cc2)cc1 ZINC000032686286 506278878 /nfs/dbraw/zinc/27/88/78/506278878.db2.gz HEHXEQARKHQGBK-QGZVFWFLSA-N 0 3 363.841 2.998 50 0 FFAAHN CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCC[C@H]4CCCC[C@H]43)C2=O)cc1 ZINC000002459171 506279677 /nfs/dbraw/zinc/27/96/77/506279677.db2.gz ZPZXBSYRQXXUMN-LZQZEXGQSA-N 0 3 369.465 2.932 50 0 FFAAHN CC(=O)CC(C)(C)NC(=O)CCN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000032764870 506291571 /nfs/dbraw/zinc/29/15/71/506291571.db2.gz ILKXQMWFJXUURZ-UHFFFAOYSA-N 0 3 373.497 2.601 50 0 FFAAHN Cc1ccc(-c2nnc(CCC(=O)NCCN3CCC[C@H](C)C3)o2)cc1 ZINC000032931038 506315325 /nfs/dbraw/zinc/31/53/25/506315325.db2.gz YSVHIXGDWOQVAN-INIZCTEOSA-N 0 3 356.470 2.826 50 0 FFAAHN COC(=O)c1cc(NC(=O)CNC2CCCCCC2)cc(C(=O)OC)c1 ZINC000003251031 506317493 /nfs/dbraw/zinc/31/74/93/506317493.db2.gz YATJVBYBVKIPKW-UHFFFAOYSA-N 0 3 362.426 2.511 50 0 FFAAHN Cc1cccc(-n2nc(C(=O)NC3CCN(C)CC3)nc2-c2ccco2)c1 ZINC000034911550 506373738 /nfs/dbraw/zinc/37/37/38/506373738.db2.gz VVCFBTIJIWUIAC-UHFFFAOYSA-N 0 3 365.437 2.660 50 0 FFAAHN CCOc1cc(CNCc2cccs2)cc(Cl)c1OCC(N)=O ZINC000004488594 506378292 /nfs/dbraw/zinc/37/82/92/506378292.db2.gz QAGVRJQTBANUBS-UHFFFAOYSA-N 0 3 354.859 2.954 50 0 FFAAHN COCCCN(Cc1cccc(OC)c1OC)C[C@H](O)COC(C)(C)C ZINC000036097200 506396404 /nfs/dbraw/zinc/39/64/04/506396404.db2.gz KURUOUFEQFKMEG-KRWDZBQOSA-N 0 3 369.502 2.718 50 0 FFAAHN Cc1cc(C)c(CN2CCN(C(C)C)[C@H](CCO)C2)c(-n2cccn2)c1 ZINC000039394412 506450114 /nfs/dbraw/zinc/45/01/14/506450114.db2.gz DJKGVKPTNDOBAM-LJQANCHMSA-N 0 3 356.514 2.766 50 0 FFAAHN COc1cc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)cc(Cl)c1[O-] ZINC000039508826 506450796 /nfs/dbraw/zinc/45/07/96/506450796.db2.gz MHNYQICKFBIETD-MRXNPFEDSA-N 0 3 368.905 2.865 50 0 FFAAHN COc1cc(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)cc(Cl)c1[O-] ZINC000039508826 506450803 /nfs/dbraw/zinc/45/08/03/506450803.db2.gz MHNYQICKFBIETD-MRXNPFEDSA-N 0 3 368.905 2.865 50 0 FFAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(I)cc1 ZINC000040107540 506467692 /nfs/dbraw/zinc/46/76/92/506467692.db2.gz JCCUAXNVFIKYSP-GFCCVEGCSA-N 0 3 372.250 2.895 50 0 FFAAHN Cc1nn(C)c(C)c1NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000006232686 506472738 /nfs/dbraw/zinc/47/27/38/506472738.db2.gz BODOGDOEUBLDJW-UHFFFAOYSA-N 0 3 357.527 2.988 50 0 FFAAHN CN(C)[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1ccccc1 ZINC000006542896 506487951 /nfs/dbraw/zinc/48/79/51/506487951.db2.gz HRAXEXKPCYJWMX-SJORKVTESA-N 0 3 371.506 2.772 50 0 FFAAHN CSc1ccc(CNCCNS(=O)(=O)Cc2ccccc2)cc1 ZINC000008169609 506628194 /nfs/dbraw/zinc/62/81/94/506628194.db2.gz DQJTZKSZMADNAN-UHFFFAOYSA-N 0 3 350.509 2.618 50 0 FFAAHN CCC(C)(C)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008395009 506647272 /nfs/dbraw/zinc/64/72/72/506647272.db2.gz NTZZLGRZHDNLPG-AWEZNQCLSA-N 0 3 367.515 2.576 50 0 FFAAHN CN(C)[C@@H](CNC(=O)CSC(=S)N1CCCC1)c1ccccc1 ZINC000008428997 506649842 /nfs/dbraw/zinc/64/98/42/506649842.db2.gz KOQGZSBWRDOVNG-HNNXBMFYSA-N 0 3 351.541 2.519 50 0 FFAAHN COc1c2c(c(CNC(=O)Nc3ccccc3)c3c1CN(C)CC3)OCO2 ZINC000008765020 506666688 /nfs/dbraw/zinc/66/66/88/506666688.db2.gz QKMGOPRUCUWVES-UHFFFAOYSA-N 0 3 369.421 2.734 50 0 biogenic FFAAHN CCCN1CCC(NS(=O)(=O)c2ccc(OC(C)C)c(C)c2)CC1 ZINC000042986279 506685874 /nfs/dbraw/zinc/68/58/74/506685874.db2.gz LHCAHCOYYGJMCV-UHFFFAOYSA-N 0 3 354.516 2.935 50 0 FFAAHN COc1ccc(C2=NC3(CCN(Cc4ccc(C)cc4)CC3)NC2=O)cc1 ZINC000009526766 506702053 /nfs/dbraw/zinc/70/20/53/506702053.db2.gz JRKSLWCGGVTRRE-UHFFFAOYSA-N 0 3 363.461 2.915 50 0 FFAAHN COc1cccc(CN2CCC[C@H]2c2nonc2C)c1OCCN(C)C ZINC000055568939 506782386 /nfs/dbraw/zinc/78/23/86/506782386.db2.gz OIXHCJDDQJRHFO-INIZCTEOSA-N 0 3 360.458 2.664 50 0 FFAAHN Cc1cc(CN2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)oc1C ZINC000011815202 506794788 /nfs/dbraw/zinc/79/47/88/506794788.db2.gz JFPFGYOOCPMAOK-INIZCTEOSA-N 0 3 372.469 2.905 50 0 FFAAHN O=C(CSc1ccccn1)N[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000011938440 506805886 /nfs/dbraw/zinc/80/58/86/506805886.db2.gz OVAWJAJHZUQNGI-SFHVURJKSA-N 0 3 367.518 2.922 50 0 FFAAHN O=C(CSc1ccccn1)N[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000011938439 506806392 /nfs/dbraw/zinc/80/63/92/506806392.db2.gz OVAWJAJHZUQNGI-GOSISDBHSA-N 0 3 367.518 2.922 50 0 FFAAHN COCCn1c2ccc(C)cc2cc(CNCCn2nc(C)cc2C)c1=O ZINC000012154753 506826325 /nfs/dbraw/zinc/82/63/25/506826325.db2.gz KACNLBRHQYEERH-UHFFFAOYSA-N 0 3 368.481 2.559 50 0 FFAAHN Cc1cc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)[nH]n1 ZINC000012316390 506846537 /nfs/dbraw/zinc/84/65/37/506846537.db2.gz KMMAZGWSWMVUCM-UHFFFAOYSA-N 0 3 358.461 2.884 50 0 FFAAHN Cc1cc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)n[nH]1 ZINC000012316390 506846543 /nfs/dbraw/zinc/84/65/43/506846543.db2.gz KMMAZGWSWMVUCM-UHFFFAOYSA-N 0 3 358.461 2.884 50 0 FFAAHN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2cnc[nH]2)C1 ZINC000012317034 506848658 /nfs/dbraw/zinc/84/86/58/506848658.db2.gz XPUSNCZDPSHQRE-HXUWFJFHSA-N 0 3 357.454 2.806 50 0 FFAAHN CN1CCC(NC(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 ZINC000012381174 506857751 /nfs/dbraw/zinc/85/77/51/506857751.db2.gz PTSRPNMSSNJGCB-UHFFFAOYSA-N 0 3 355.276 2.817 50 0 FFAAHN COc1ccc(C(=O)[C@@H]2CCCN(CCCn3cccn3)C2)c(OC)c1 ZINC000012387445 506858019 /nfs/dbraw/zinc/85/80/19/506858019.db2.gz BTZPFFRPHAZWSN-MRXNPFEDSA-N 0 3 357.454 2.885 50 0 FFAAHN O=C(Cn1ncc2ccccc21)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000012458938 506867859 /nfs/dbraw/zinc/86/78/59/506867859.db2.gz LYTQFZZCFSOLCV-HXUWFJFHSA-N 0 3 362.477 2.860 50 0 FFAAHN CC(C)Oc1ccc(CN[C@H]2CCCN(c3ncccn3)C2)cc1CO ZINC000012718540 506891800 /nfs/dbraw/zinc/89/18/00/506891800.db2.gz NMSRRSZHACJOJI-SFHVURJKSA-N 0 3 356.470 2.515 50 0 FFAAHN NCc1cn(C[C@H]2CCCN(Cc3cnc(-c4ccccc4)s3)C2)nn1 ZINC000023430393 507354313 /nfs/dbraw/zinc/35/43/13/507354313.db2.gz ZULRZHZCZGBPKV-HNNXBMFYSA-N 0 3 368.510 2.773 50 0 FFAAHN CN(C)C[C@H](O)COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1 ZINC000058190756 507381667 /nfs/dbraw/zinc/38/16/67/507381667.db2.gz FZVXHHLZGBHQGR-AWEZNQCLSA-N 0 3 365.380 2.910 50 0 FFAAHN O=C(NCc1nnc2n1CCCCC2)c1ccc(CN2CCCCC2)cc1 ZINC000048230065 507484407 /nfs/dbraw/zinc/48/44/07/507484407.db2.gz BGPIDALATPKDRC-UHFFFAOYSA-N 0 3 367.497 2.920 50 0 FFAAHN CC1(C)NC(=O)N(CCN2Cc3ccccc3[C@H](c3ccccc3)C2)C1=O ZINC000026918840 507622910 /nfs/dbraw/zinc/62/29/10/507622910.db2.gz WBRNEXIHUNJXHP-IBGZPJMESA-N 0 3 363.461 2.965 50 0 FFAAHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCCN(C2CCCCCC2)C1 ZINC000072134436 507754926 /nfs/dbraw/zinc/75/49/26/507754926.db2.gz ASQFRGWHZNISAL-INIZCTEOSA-N 0 3 368.547 2.502 50 0 FFAAHN CN(C)Cc1ccc([C@H]2CCCCN2CC(=O)Nc2cnn(C)c2)cc1 ZINC000072152821 507761074 /nfs/dbraw/zinc/76/10/74/507761074.db2.gz RCCIQZVDCMDEQQ-LJQANCHMSA-N 0 3 355.486 2.647 50 0 FFAAHN CCOc1ccc(-c2ccc(CN3C[C@@H]4C[C@@H](O)[C@@H](O)C[C@@H]4C3)o2)cc1 ZINC000072170420 507769066 /nfs/dbraw/zinc/76/90/66/507769066.db2.gz XXLWTJPHFXQQNH-OBMJPTGESA-N 0 3 357.450 2.909 50 0 FFAAHN CC(C)(O)CCc1cccc(C(=O)N2CCCO[C@@H](CN3CCCC3)C2)c1 ZINC000072424666 507788244 /nfs/dbraw/zinc/78/82/44/507788244.db2.gz FUFNCLHOWZUWQL-FQEVSTJZSA-N 0 3 374.525 2.717 50 0 FFAAHN O=C(C[C@H]1CNCCO1)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000091365056 507982219 /nfs/dbraw/zinc/98/22/19/507982219.db2.gz DMKGMZAUAIZYFB-NRFANRHFSA-N 0 3 364.489 2.974 50 0 FFAAHN O=C1CC[C@@]2(CCCN(Cc3ccncc3)C2)CN1CCc1ccccn1 ZINC000091586999 507993813 /nfs/dbraw/zinc/99/38/13/507993813.db2.gz RIRLOGYPBKXOCK-JOCHJYFZSA-N 0 3 364.493 2.924 50 0 FFAAHN C[C@H](C(=O)N1CCCC1)N1CCC(c2nccn2Cc2cscn2)CC1 ZINC000091665445 508001144 /nfs/dbraw/zinc/00/11/44/508001144.db2.gz BGGSDJOFVYIFMQ-OAHLLOKOSA-N 0 3 373.526 2.578 50 0 FFAAHN Cc1nnsc1C(=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 ZINC000091693553 508003302 /nfs/dbraw/zinc/00/33/02/508003302.db2.gz MJOCEASUUCXHFC-WMLDXEAASA-N 0 3 368.506 2.550 50 0 FFAAHN CN1CC2(CCC1=O)CCN(Cc1cc(C(N)=O)oc1C(C)(C)C)CC2 ZINC000091847399 508018837 /nfs/dbraw/zinc/01/88/37/508018837.db2.gz IJGVWIBJTIRIMC-UHFFFAOYSA-N 0 3 361.486 2.510 50 0 FFAAHN Cc1nn(CCO)cc1CN1CCC[C@@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000091951290 508026910 /nfs/dbraw/zinc/02/69/10/508026910.db2.gz DLQLJAMRQLSLKC-NRFANRHFSA-N 0 3 371.481 2.757 50 0 FFAAHN Cc1nc2ccccc2nc1CN1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 ZINC000091998158 508031026 /nfs/dbraw/zinc/03/10/26/508031026.db2.gz FYYODSKMVPSWPE-IAGOWNOFSA-N 0 3 360.465 2.829 50 0 FFAAHN CN1CCN(Cc2ccc3cccc(Cl)c3n2)C[C@]12CCNC(=O)CC2 ZINC000092045854 508036869 /nfs/dbraw/zinc/03/68/69/508036869.db2.gz KGHFPKDMVPDQKW-FQEVSTJZSA-N 0 3 372.900 2.675 50 0 FFAAHN CC(=O)c1ccccc1C(=O)N1CCC[C@@H](c2nccn2CCN(C)C)C1 ZINC000095354534 508174643 /nfs/dbraw/zinc/17/46/43/508174643.db2.gz BBTCUBQKYDMHPQ-QGZVFWFLSA-N 0 3 368.481 2.667 50 0 FFAAHN CC(C)c1nccn1[C@H](C)C(=O)N1CCC(N2CCSCC2)CC1 ZINC000095370751 508178540 /nfs/dbraw/zinc/17/85/40/508178540.db2.gz HVFFOIKAMRJCBI-OAHLLOKOSA-N 0 3 350.532 2.607 50 0 FFAAHN CSCCc1nc(Cc2ccc3c(c2)OCO3)n(C2CCN(C)CC2)n1 ZINC000095377752 508179808 /nfs/dbraw/zinc/17/98/08/508179808.db2.gz JOVSSEFIHGQGNU-UHFFFAOYSA-N 0 3 374.510 2.770 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cc[nH]c2C)CC1 ZINC000095499082 508189990 /nfs/dbraw/zinc/18/99/90/508189990.db2.gz MOFVEYGQBNKUJG-GOSISDBHSA-N 0 3 374.529 2.556 50 0 FFAAHN CCn1ncnc1[C@@H](C)NC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000095511843 508193590 /nfs/dbraw/zinc/19/35/90/508193590.db2.gz JEFKWVIOYMMIFQ-CQSZACIVSA-N 0 3 372.473 2.654 50 0 FFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)CCc2ccsc2)C1 ZINC000095528876 508196590 /nfs/dbraw/zinc/19/65/90/508196590.db2.gz QZOAEURJTPOIPE-KRWDZBQOSA-N 0 3 360.527 2.845 50 0 FFAAHN CN(C)[C@@H]1CN(C(=O)CCc2ccccc2)CC[C@]1(O)c1ccccc1 ZINC000097096142 508218672 /nfs/dbraw/zinc/21/86/72/508218672.db2.gz PAZRTUZMICCCJD-IRLDBZIGSA-N 0 3 352.478 2.670 50 0 FFAAHN CSc1ncc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cn1 ZINC000077377614 508307676 /nfs/dbraw/zinc/30/76/76/508307676.db2.gz CLZCPQMITWIMQN-UHFFFAOYSA-N 0 3 372.538 2.925 50 0 FFAAHN Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3N)cc2)n1 ZINC000077407849 508312340 /nfs/dbraw/zinc/31/23/40/508312340.db2.gz REJUYDWHPYJDEK-SFTDATJTSA-N 0 3 360.461 2.903 50 0 FFAAHN CCn1c(CN(C)C)nnc1C1CCN(Cc2cccc(OC)c2)CC1 ZINC000077439261 508315396 /nfs/dbraw/zinc/31/53/96/508315396.db2.gz JKGZIXAVGDIKFR-UHFFFAOYSA-N 0 3 357.502 2.748 50 0 FFAAHN C[C@H](C1CCN(c2noc(-c3ccccc3)n2)CC1)N1CCN(C)CC1 ZINC000077470609 508320166 /nfs/dbraw/zinc/32/01/66/508320166.db2.gz SUUYOUGDFHKTBT-MRXNPFEDSA-N 0 3 355.486 2.589 50 0 FFAAHN COc1ccc([C@H](N)CC(=O)N2CCC(c3ccncc3)CC2)cc1OC ZINC000077486983 508322974 /nfs/dbraw/zinc/32/29/74/508322974.db2.gz OGVAYJYCJGGFAW-GOSISDBHSA-N 0 3 369.465 2.895 50 0 FFAAHN CC(C)N1CCCC[C@@H]1C(=O)NCCc1nccn1Cc1ccccc1 ZINC000118765798 508670613 /nfs/dbraw/zinc/67/06/13/508670613.db2.gz PWXRZLAOUXVENH-LJQANCHMSA-N 0 3 354.498 2.853 50 0 FFAAHN O[C@@H](COc1ccccc1-c1nnco1)CN1CCc2ccccc2C1 ZINC000154460766 508789137 /nfs/dbraw/zinc/78/91/37/508789137.db2.gz FDBAZBSSEUVLEX-QGZVFWFLSA-N 0 3 351.406 2.535 50 0 FFAAHN Cc1ccccc1[C@]1(O)CCN(Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000215083406 509243920 /nfs/dbraw/zinc/24/39/20/509243920.db2.gz RFKHWKGARLUVPU-FQEVSTJZSA-N 0 3 374.868 2.606 50 0 FFAAHN Cc1ccc(CN2CCC(CNC(=O)c3c(Cl)cnn3C)CC2)o1 ZINC000215145783 509244886 /nfs/dbraw/zinc/24/48/86/509244886.db2.gz ZCLRMVIFFDWWGK-UHFFFAOYSA-N 0 3 350.850 2.617 50 0 FFAAHN Cn1nc(CN2CCN(CC3CC3)[C@H](CCO)C2)c2c1cccc2Cl ZINC000215104110 509244904 /nfs/dbraw/zinc/24/49/04/509244904.db2.gz OQDQQJJWCOBCNA-OAHLLOKOSA-N 0 3 362.905 2.505 50 0 FFAAHN Cc1cc2c(cc1CN1CCCN(Cc3ccccn3)CC1)OCCO2 ZINC000216053709 509256017 /nfs/dbraw/zinc/25/60/17/509256017.db2.gz JLTXIXBXPUGZKB-UHFFFAOYSA-N 0 3 353.466 2.869 50 0 FFAAHN CN(C)Cc1ccc([C@H]2CCCN2C(=O)CN(C)Cc2cccnc2)cc1 ZINC000218805945 509282454 /nfs/dbraw/zinc/28/24/54/509282454.db2.gz OSEHEOYAAOTDGK-OAQYLSRUSA-N 0 3 366.509 2.939 50 0 FFAAHN COc1cc(Cl)ccc1C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000223489022 509339478 /nfs/dbraw/zinc/33/94/78/509339478.db2.gz NAYRHLKWMDQYIC-HNNXBMFYSA-N 0 3 352.862 2.722 50 0 FFAAHN O=S(=O)(/C=C/c1ccccc1)NCC1CCN([C@H]2CCSC2)CC1 ZINC000225572374 509377545 /nfs/dbraw/zinc/37/75/45/509377545.db2.gz RRUKVFUSGJAPIA-FUNAXGEOSA-N 0 3 366.552 2.794 50 0 FFAAHN O=C(c1cccs1)N1CC[C@](O)(c2ccccc2)[C@H](N2CCCC2)C1 ZINC000169793281 509662235 /nfs/dbraw/zinc/66/22/35/509662235.db2.gz JGYQGSNPBYQKCO-QUCCMNQESA-N 0 3 356.491 2.946 50 0 FFAAHN Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@@H](c1ccnn1C)C(C)C ZINC000252490958 509842503 /nfs/dbraw/zinc/84/25/03/509842503.db2.gz LGHAWRMJYHCUCW-CYBMUJFWSA-N 0 3 373.423 2.933 50 0 FFAAHN O=C(CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)NC(=O)NC1CCCCC1 ZINC000252550359 509852636 /nfs/dbraw/zinc/85/26/36/509852636.db2.gz SLRKJCSCQFDPJA-KURKYZTESA-N 0 3 365.518 2.551 50 0 FFAAHN O=C(CCN1CCC(O)(c2ccc(F)cc2)CC1)NCc1cccs1 ZINC000243893137 509854263 /nfs/dbraw/zinc/85/42/63/509854263.db2.gz AOGBJYJUJODYTL-UHFFFAOYSA-N 0 3 362.470 2.877 50 0 FFAAHN CN(CCC(=O)NCc1ccccc1F)C[C@@H]1Cc2ccccc2CN1C ZINC000244719175 509865238 /nfs/dbraw/zinc/86/52/38/509865238.db2.gz LYGMUPCYYJBADO-FQEVSTJZSA-N 0 3 369.484 2.821 50 0 FFAAHN O=C(c1ccc(-n2cccn2)cc1)N1CCCO[C@@H](CN2CCCCC2)C1 ZINC000244741928 509867416 /nfs/dbraw/zinc/86/74/16/509867416.db2.gz NZGKOMCNECGXPD-FQEVSTJZSA-N 0 3 368.481 2.589 50 0 FFAAHN Cc1nc2c(c(=O)[n-]1)CC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC000257174710 509944218 /nfs/dbraw/zinc/94/42/18/509944218.db2.gz JUYQYYAPPHGCSJ-UHFFFAOYSA-N 0 3 353.401 2.621 50 0 FFAAHN Cc1nc2c(c(=O)[n-]1)CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC000257174710 509944223 /nfs/dbraw/zinc/94/42/23/509944223.db2.gz JUYQYYAPPHGCSJ-UHFFFAOYSA-N 0 3 353.401 2.621 50 0 FFAAHN OC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1c1ccccn1 ZINC000257189010 509952245 /nfs/dbraw/zinc/95/22/45/509952245.db2.gz HCCJNBNZAKAITD-FUHWJXTLSA-N 0 3 352.413 2.819 50 0 FFAAHN Cc1cc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c2cnn(C)c2n1 ZINC000193841148 510095035 /nfs/dbraw/zinc/09/50/35/510095035.db2.gz YENIPYRHDQRYCQ-KRWDZBQOSA-N 0 3 363.465 2.529 50 0 FFAAHN O=c1[nH]c2ccccc2n1C1CCN(C[C@@H](O)CCc2ccccc2)CC1 ZINC000182180455 510798668 /nfs/dbraw/zinc/79/86/68/510798668.db2.gz YOXIOOFVBNBERH-IBGZPJMESA-N 0 3 365.477 2.960 50 0 FFAAHN Cn1cc(-c2ccccc2CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)cn1 ZINC000333598789 511296525 /nfs/dbraw/zinc/29/65/25/511296525.db2.gz MFWJUUPONCGZQB-NRFANRHFSA-N 0 3 367.497 2.714 50 0 FFAAHN COCCN1CCC[C@@H](CNC(=O)c2ccc(-c3ccc(C)nn3)cc2)C1 ZINC000426410466 513933221 /nfs/dbraw/zinc/93/32/21/513933221.db2.gz IPUMWKGQPDIOOH-KRWDZBQOSA-N 0 3 368.481 2.540 50 0 FFAAHN COc1cc(CNC(=O)N2CCN(C3CCCCC3)CC2)cc(OC)c1 ZINC000426428917 513937729 /nfs/dbraw/zinc/93/77/29/513937729.db2.gz JSEPQDNGEJIZHF-UHFFFAOYSA-N 0 3 361.486 2.864 50 0 FFAAHN Nc1nccc(-c2cccc(C(=O)N3CCN(C4CCCCC4)CC3)c2)n1 ZINC000426504609 513961876 /nfs/dbraw/zinc/96/18/76/513961876.db2.gz PMCWFGJQDAQOIA-UHFFFAOYSA-N 0 3 365.481 2.816 50 0 FFAAHN Cc1ccc(O)c(-c2ccc(C(=O)NC[C@H](O)CN3CCCC3)cc2)c1 ZINC000426537756 513974211 /nfs/dbraw/zinc/97/42/11/513974211.db2.gz UUOUKMSEYWWARF-SFHVURJKSA-N 0 3 354.450 2.554 50 0 FFAAHN O=C(NCc1cnc2ccccc2c1)N1CCCO[C@H](CN2CCCC2)C1 ZINC000426602575 513994055 /nfs/dbraw/zinc/99/40/55/513994055.db2.gz XRIJUZRMRMBPMR-LJQANCHMSA-N 0 3 368.481 2.631 50 0 FFAAHN CCc1cc(CN2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)n[nH]1 ZINC000426712779 514022125 /nfs/dbraw/zinc/02/21/25/514022125.db2.gz PUTHAYMAOQQAPY-CMKODMSKSA-N 0 3 356.470 2.958 50 0 FFAAHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cnoc1-c1ccccc1 ZINC000426719841 514023598 /nfs/dbraw/zinc/02/35/98/514023598.db2.gz JUFBEEIACKLPHG-KRWDZBQOSA-N 0 3 355.438 2.715 50 0 FFAAHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cnoc1-c1ccccc1 ZINC000426719842 514023750 /nfs/dbraw/zinc/02/37/50/514023750.db2.gz JUFBEEIACKLPHG-QGZVFWFLSA-N 0 3 355.438 2.715 50 0 FFAAHN C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@H](O)c1ccccc1 ZINC000534634112 517972587 /nfs/dbraw/zinc/97/25/87/517972587.db2.gz BNSVSLIYXFJMQN-VDGAXYAQSA-N 0 3 353.466 2.682 50 0 FFAAHN CN(C(=O)NCC1(Cn2cccn2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000534650572 517983149 /nfs/dbraw/zinc/98/31/49/517983149.db2.gz XLWBMYHNDLCROD-LJQANCHMSA-N 0 3 367.497 2.579 50 0 FFAAHN CC(=O)c1sccc1-c1cccc(C(=O)N2CC[C@@](O)(CN(C)C)C2)c1 ZINC000534655229 517984885 /nfs/dbraw/zinc/98/48/85/517984885.db2.gz ZNHNXUZQCBBMQS-HXUWFJFHSA-N 0 3 372.490 2.756 50 0 FFAAHN CCN1CC[C@H](NC(=O)N(CCCO)Cc2cccc3ccccc32)C1 ZINC000584885619 518521567 /nfs/dbraw/zinc/52/15/67/518521567.db2.gz ORJFYTRDGYUQDC-IBGZPJMESA-N 0 3 355.482 2.828 50 0 FFAAHN CCC1=NO[C@H](CNC(=O)N(C)Cc2ccccc2CN2CCCC2)C1 ZINC000584887962 518523207 /nfs/dbraw/zinc/52/32/07/518523207.db2.gz YMRBMTCKCOGHOK-IBGZPJMESA-N 0 3 358.486 2.979 50 0 FFAAHN O=C([C@H](O)c1cccc(F)c1)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000299792648 534623016 /nfs/dbraw/zinc/62/30/16/534623016.db2.gz GLHMXOASHCPHOM-OAQYLSRUSA-N 0 3 368.452 2.561 50 0 FFAAHN COCCN1CCC[C@]2(CCN(C/C=C/c3ccccc3OC)C2)C1=O ZINC000091473908 523838150 /nfs/dbraw/zinc/83/81/50/523838150.db2.gz JOXYYHZBJRLNPC-WKOQKXSESA-N 0 3 358.482 2.669 50 0 FFAAHN Cc1cccc(-n2ccnc2CN2CCC[C@@H](N3CCC(CO)CC3)C2)c1 ZINC000019839601 524144009 /nfs/dbraw/zinc/14/40/09/524144009.db2.gz FYVXIPIFEBKQLN-OAQYLSRUSA-N 0 3 368.525 2.849 50 0 FFAAHN CC(C)Cc1cc(C(=O)N[C@@H](CC[NH+](C)C)c2ccccc2)[n-]c(=O)n1 ZINC000299790533 528641207 /nfs/dbraw/zinc/64/12/07/528641207.db2.gz BKZSEZAQMXBCOS-KRWDZBQOSA-N 0 3 356.470 2.804 50 0 FFAAHN CC(C)CN1CC2(CC1=O)CCN(c1cc(N3CCCC3)cnn1)CC2 ZINC000091736683 535066499 /nfs/dbraw/zinc/06/64/99/535066499.db2.gz WIEQUZHZTDCNQN-UHFFFAOYSA-N 0 3 357.502 2.552 50 0 FFAAHN CCc1cc(N2CCN(Cc3c(C)cc(C)cc3C)CC2)n2ncnc2n1 ZINC000022665051 571145235 /nfs/dbraw/zinc/14/52/35/571145235.db2.gz BJVGTEQRTHGUEQ-UHFFFAOYSA-N 0 3 364.497 2.934 50 0 FFAAHN CC(C)(NCCc1c[nH]c2ccccc12)c1nnnn1Cc1cccnc1 ZINC000575443899 571152988 /nfs/dbraw/zinc/15/29/88/571152988.db2.gz USJZNEPHCUYYGH-UHFFFAOYSA-N 0 3 361.453 2.665 50 0 FFAAHN CCc1nc(C2CCN([C@H]3CCCN(c4cccc(F)c4)C3=O)CC2)n[nH]1 ZINC000190674839 571174459 /nfs/dbraw/zinc/17/44/59/571174459.db2.gz MSTWDBYMWLPHAS-KRWDZBQOSA-N 0 3 371.460 2.881 50 0 FFAAHN CCc1n[nH]c(C2CCN([C@H]3CCCN(c4cccc(F)c4)C3=O)CC2)n1 ZINC000190674839 571174462 /nfs/dbraw/zinc/17/44/62/571174462.db2.gz MSTWDBYMWLPHAS-KRWDZBQOSA-N 0 3 371.460 2.881 50 0 FFAAHN CCc1nnc(C2CCN([C@H]3CCCN(c4cccc(F)c4)C3=O)CC2)[nH]1 ZINC000190674839 571174465 /nfs/dbraw/zinc/17/44/65/571174465.db2.gz MSTWDBYMWLPHAS-KRWDZBQOSA-N 0 3 371.460 2.881 50 0 FFAAHN OCC[C@H]1CN(Cc2cnc(N3CCCC3)s2)CCN1C1CCCC1 ZINC000022913671 727841263 /nfs/dbraw/zinc/84/12/63/727841263.db2.gz SDXVWIGIIIFEEG-KRWDZBQOSA-N 0 3 364.559 2.555 50 0 FFAAHN Cc1ncsc1CN1CCC2(CC1)C[C@@H](CC(=O)N(C)C)CCO2 ZINC000581786535 845944544 /nfs/dbraw/zinc/94/45/44/845944544.db2.gz YEGQFPXMPVSIQW-OAHLLOKOSA-N 0 3 351.516 2.691 50 0 FFAAHN CCC[C@H](C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1)N(C)C ZINC000152691604 987424461 /nfs/dbraw/zinc/42/44/61/987424461.db2.gz JHOOPBSJNGAOAN-GOSISDBHSA-N 0 3 367.497 2.523 50 0 FFAAHN COc1ccc(CC(=O)NC[C@H]2CCCN(Cc3cccc(C)n3)C2)cc1 ZINC000011821137 987448191 /nfs/dbraw/zinc/44/81/91/987448191.db2.gz DWNUKPBAVWKBPU-LJQANCHMSA-N 0 3 367.493 2.970 50 0 FFAAHN CN(Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1)C[C@H](O)CO ZINC000011818769 988140227 /nfs/dbraw/zinc/14/02/27/988140227.db2.gz CQNAUHNFQNSZEM-FQEVSTJZSA-N 0 3 357.498 2.920 50 0 FFAAHN CCOc1ccccc1CN1CCC(CCOC)(NC(=O)C2CC2)CC1 ZINC000581805084 999947666 /nfs/dbraw/zinc/94/76/66/999947666.db2.gz SKAFOEVIWCPSDF-UHFFFAOYSA-N 0 3 360.498 2.983 50 0 FFAAHN Cc1cnc(C(=O)NC[C@@H]2CCCN(C/C=C/c3ccccc3)C2)cn1 ZINC000952966249 1011014751 /nfs/dbraw/zinc/01/47/51/1011014751.db2.gz DABZMNSYTARILK-SQUITACLSA-N 0 3 350.466 2.940 50 0 FFAAHN Cn1cccc1-c1cc(C(=O)NC[C@@H]2CCCN(Cc3ccco3)C2)[nH]n1 ZINC000952972046 1011016594 /nfs/dbraw/zinc/01/65/94/1011016594.db2.gz NSCVHCFQAIZWJF-HNNXBMFYSA-N 0 3 367.453 2.650 50 0 FFAAHN C[C@H]1C[C@@H]1c1noc(CC2CCN(C(=O)C3(N)CC4(CCC4)C3)CC2)n1 ZINC000659328027 1026006186 /nfs/dbraw/zinc/00/61/86/1026006186.db2.gz IVYHOHHVEWGHCQ-ZFWWWQNUSA-N 0 3 358.486 2.636 50 0 FFAAHN CN1CCN(CCC(=O)NCc2cccc(Oc3ccccc3)c2)CC1 ZINC000299795204 530071725 /nfs/dbraw/zinc/07/17/25/530071725.db2.gz KLYSTIKDGQVTLB-UHFFFAOYSA-N 0 3 353.466 2.733 50 0 FFAAHN CN(C)Cc1ccc([C@H]2CCCN2C(=O)Cn2nc3ccccc3n2)cc1 ZINC000221271875 222723142 /nfs/dbraw/zinc/72/31/42/222723142.db2.gz RBMPFUBDLRZTDP-HXUWFJFHSA-N 0 3 363.465 2.857 50 0 FFAAHN CO[C@]12CCN(Cc3cnc(-c4cccc(C)c4)nc3)[C@H]1C[C@@H](O)CC2 ZINC000299774793 223091093 /nfs/dbraw/zinc/09/10/93/223091093.db2.gz JDZPHZFQNOUULJ-IRFCIJBXSA-N 0 3 353.466 2.956 50 0 FFAAHN Cc1cc(=O)oc2cc(NC(=O)N(CCN(C)C)C[C@@H]3CCCO3)ccc12 ZINC000299779221 223093706 /nfs/dbraw/zinc/09/37/06/223093706.db2.gz DQAMBLWCMFBCRF-INIZCTEOSA-N 0 3 373.453 2.676 50 0 FFAAHN Cc1ccc(-n2cc(CN(CCO)CCO)c(-c3cccc(C)c3)n2)cc1 ZINC000012571301 220008638 /nfs/dbraw/zinc/00/86/38/220008638.db2.gz CREHLZBNHSVGRD-UHFFFAOYSA-N 0 3 365.477 2.943 50 0 FFAAHN COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1C ZINC000012779828 220028763 /nfs/dbraw/zinc/02/87/63/220028763.db2.gz RUEMZEMWRAMMQQ-KRWDZBQOSA-N 0 3 369.465 2.985 50 0 FFAAHN C[C@@H]1C[C@H](C)CN(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1 ZINC000012779210 220029297 /nfs/dbraw/zinc/02/92/97/220029297.db2.gz TYSQXRFXVVQXLX-OKILXGFUSA-N 0 3 351.878 2.715 50 0 FFAAHN COc1ccc(OC[C@H](O)CN2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000012788748 220030488 /nfs/dbraw/zinc/03/04/88/220030488.db2.gz RZRWIZRRMZWSRR-LJQANCHMSA-N 0 3 355.434 2.930 50 0 FFAAHN CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1C ZINC000014171075 220113672 /nfs/dbraw/zinc/11/36/72/220113672.db2.gz FXKXYJRGMKOXQI-KRWDZBQOSA-N 0 3 369.465 2.813 50 0 FFAAHN CCN1C(=O)N(C)C(=O)C12CCN(Cc1ccccc1C(F)(F)F)CC2 ZINC000014742306 220130690 /nfs/dbraw/zinc/13/06/90/220130690.db2.gz IKFRTTJFAUANHX-UHFFFAOYSA-N 0 3 369.387 2.954 50 0 FFAAHN Cc1c(CN2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)cnn1C ZINC000014981442 220138208 /nfs/dbraw/zinc/13/82/08/220138208.db2.gz AEEVZWKQQBCPNU-OAQYLSRUSA-N 0 3 370.472 2.882 50 0 FFAAHN O=C(c1cccc2ccccc21)N1CCC(=O)N(CCN2CCCC2)CC1 ZINC000014974258 220138346 /nfs/dbraw/zinc/13/83/46/220138346.db2.gz HHOTYESYKFMYCX-UHFFFAOYSA-N 0 3 365.477 2.610 50 0 FFAAHN CCN1CCC(NC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000016602288 220187685 /nfs/dbraw/zinc/18/76/85/220187685.db2.gz ONCCUYUTGBYCNM-GFCCVEGCSA-N 0 3 355.276 2.817 50 0 FFAAHN COC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000017704089 220216685 /nfs/dbraw/zinc/21/66/85/220216685.db2.gz GDARBXUVMYRJPW-DNVCBOLYSA-N 0 3 371.481 2.959 50 0 FFAAHN c1ccc(CN2CCC(N3CCN(Cc4ccncc4)CC3)CC2)cc1 ZINC000019364396 220253213 /nfs/dbraw/zinc/25/32/13/220253213.db2.gz CUOIPOPLSVBPAD-UHFFFAOYSA-N 0 3 350.510 2.864 50 0 FFAAHN CCOc1ccc(N2C(=O)C[C@@H](NCCc3ccccc3OC)C2=O)cc1 ZINC000019533500 220268918 /nfs/dbraw/zinc/26/89/18/220268918.db2.gz MJHGOUHEDVMVPS-GOSISDBHSA-N 0 3 368.433 2.558 50 0 FFAAHN COc1ccc([C@@H](CNC(=O)CCc2ccc3c(c2)OCO3)N(C)C)cc1 ZINC000021972807 220372909 /nfs/dbraw/zinc/37/29/09/220372909.db2.gz XDEPPKRDVWIQPB-GOSISDBHSA-N 0 3 370.449 2.776 50 0 FFAAHN CCC(CC)CN1CCN(CC(=O)Nc2ccc3nsnc3c2)CC1 ZINC000022752180 220397383 /nfs/dbraw/zinc/39/73/83/220397383.db2.gz BKTXTIKEOLZGDI-UHFFFAOYSA-N 0 3 361.515 2.684 50 0 FFAAHN COCCn1c(C)cc(O)c([C@@H](c2ccncc2)N2CCC(C)CC2)c1=O ZINC000022697895 220395225 /nfs/dbraw/zinc/39/52/25/220395225.db2.gz HHCHFWIBJJTOIQ-HXUWFJFHSA-N 0 3 371.481 2.725 50 0 FFAAHN O=C(CN1CCN(C2CCCCC2)CC1)NCCc1ccc(Cl)cc1 ZINC000022751915 220397274 /nfs/dbraw/zinc/39/72/74/220397274.db2.gz SMGXDIDUENGDMP-UHFFFAOYSA-N 0 3 363.933 2.949 50 0 FFAAHN COc1cc(NC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)ccc1NC(C)=O ZINC000048378348 221011925 /nfs/dbraw/zinc/01/19/25/221011925.db2.gz RANSMMGBAZSOBX-KGLIPLIRSA-N 0 3 362.474 2.896 50 0 FFAAHN COc1cccc(-c2n[nH]cc2CNCCNC(=O)c2cccs2)c1 ZINC000048715920 221014883 /nfs/dbraw/zinc/01/48/83/221014883.db2.gz GJLIBPHTNDXHJU-UHFFFAOYSA-N 0 3 356.451 2.666 50 0 FFAAHN Cc1ccc(-c2nc(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)cs2)cc1 ZINC000058175495 221103293 /nfs/dbraw/zinc/10/32/93/221103293.db2.gz IXRCGOBUBCTRGZ-HZPDHXFCSA-N 0 3 357.479 2.712 50 0 FFAAHN CN1CCCN(c2ccc(NC(=O)NCC[C@@H]3CCCO3)cc2F)CC1 ZINC000058213698 221108368 /nfs/dbraw/zinc/10/83/68/221108368.db2.gz QCWXNNSZYARIRQ-INIZCTEOSA-N 0 3 364.465 2.658 50 0 FFAAHN CCCC(=O)N1CCC(N2CCN(c3nccc4occc43)CC2)CC1 ZINC000065453082 221220605 /nfs/dbraw/zinc/22/06/05/221220605.db2.gz WDSDELCOHKREMO-UHFFFAOYSA-N 0 3 356.470 2.741 50 0 FFAAHN CC[C@@H]1CN(CCn2cc(CNCc3ccccc3C)c(C)n2)CCO1 ZINC000065526543 221229207 /nfs/dbraw/zinc/22/92/07/221229207.db2.gz VQVGATPHNREZTF-OAQYLSRUSA-N 0 3 356.514 2.901 50 0 FFAAHN CC[C@H](Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1)N1CCN(C)CC1 ZINC000067649350 221264816 /nfs/dbraw/zinc/26/48/16/221264816.db2.gz OVXXTDHUZMGZSK-GOSISDBHSA-N 0 3 364.497 2.966 50 0 FFAAHN c1cn(C[C@@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCNC4)C2)cn1 ZINC000067724846 221277895 /nfs/dbraw/zinc/27/78/95/221277895.db2.gz JMRUTZCLDNZYMC-KRWDZBQOSA-N 0 3 374.492 2.902 50 0 FFAAHN Cn1ccnc1SCCNc1nc(-c2ccccc2)nc2c1CCNC2 ZINC000067741141 221278579 /nfs/dbraw/zinc/27/85/79/221278579.db2.gz AKZUYZHNMVUHAI-UHFFFAOYSA-N 0 3 366.494 2.727 50 0 FFAAHN CN(C)[C@@H]1CCN(C(=O)c2coc(COc3cccc4cnccc43)n2)C1 ZINC000067842768 221292441 /nfs/dbraw/zinc/29/24/41/221292441.db2.gz JISKFIJSEWAJTR-OAHLLOKOSA-N 0 3 366.421 2.578 50 0 FFAAHN CC(C)Cc1cc(CNc2nc(-c3cccnc3)nc3c2CCNC3)no1 ZINC000067867950 221296712 /nfs/dbraw/zinc/29/67/12/221296712.db2.gz UOXFAOKDPQXKLU-UHFFFAOYSA-N 0 3 364.453 2.983 50 0 FFAAHN CC(C)c1ccc(CN2CCC[C@@](O)(CNCc3cccnc3)C2=O)cc1 ZINC000067822099 221290735 /nfs/dbraw/zinc/29/07/35/221290735.db2.gz VSAKMMOUOVZJCG-JOCHJYFZSA-N 0 3 367.493 2.848 50 0 FFAAHN CC[C@H]1CN(C(=O)c2coc(COc3ccc(F)cc3Cl)n2)CCN1 ZINC000067895321 221302607 /nfs/dbraw/zinc/30/26/07/221302607.db2.gz 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136146733 /nfs/dbraw/zinc/14/67/33/136146733.db2.gz UGWJOUFFHVNNOU-QFBILLFUSA-N 0 3 353.466 2.825 50 0 FFAAHN COc1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H](C)N2CCCCC2)C3)c1 ZINC000096147912 222048738 /nfs/dbraw/zinc/04/87/38/222048738.db2.gz PAECHIZQTDGOCG-OAHLLOKOSA-N 0 3 368.481 2.844 50 0 FFAAHN COc1cccc(-c2nc3c([nH]2)CN(C(=O)[C@@H](C)N2CCCCC2)CC3)c1 ZINC000096147912 222048740 /nfs/dbraw/zinc/04/87/40/222048740.db2.gz PAECHIZQTDGOCG-OAHLLOKOSA-N 0 3 368.481 2.844 50 0 FFAAHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000097990912 222219296 /nfs/dbraw/zinc/21/92/96/222219296.db2.gz LKZWBSWLAGAUKG-RVKKMQEKSA-N 0 3 354.491 2.993 50 0 FFAAHN O=C(c1ccc(N2CC[C@H](N3CC=CC3)C2)nc1)N1CCc2ccccc21 ZINC000101341799 222270558 /nfs/dbraw/zinc/27/05/58/222270558.db2.gz HFUXXNWBHLDPBH-IBGZPJMESA-N 0 3 360.461 2.735 50 0 FFAAHN COc1cccc(CN2CCN(CCC(C)C)[C@H](CCO)C2)c1OC ZINC000104393862 222356787 /nfs/dbraw/zinc/35/67/87/222356787.db2.gz BOQIVBYHWOTKLB-GOSISDBHSA-N 0 3 350.503 2.619 50 0 FFAAHN Cc1c[nH+]ccc1N1CCCN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)CC1 ZINC000107108505 222389646 /nfs/dbraw/zinc/38/96/46/222389646.db2.gz SORKNUWCAKBBEH-QGZVFWFLSA-N 0 3 369.465 2.954 50 0 FFAAHN Cc1cccc(CN2CCC[C@@](O)(CNCc3cccc(F)c3)C2=O)c1 ZINC000011817432 263368220 /nfs/dbraw/zinc/36/82/20/263368220.db2.gz BMIDHZXSQHAFJN-OAQYLSRUSA-N 0 3 356.441 2.777 50 0 FFAAHN COc1cc(CN2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)cc(OC)c1 ZINC000011957899 263369252 /nfs/dbraw/zinc/36/92/52/263369252.db2.gz KJDBMFROUWNGLS-OAQYLSRUSA-N 0 3 358.482 2.928 50 0 FFAAHN CCN(CC)CCOC(=O)CCCCSc1ncnc2[nH]cnc21 ZINC000005349486 506437765 /nfs/dbraw/zinc/43/77/65/506437765.db2.gz APTBKHFVFLDBET-UHFFFAOYSA-N 0 3 351.476 2.500 50 0 FFAAHN COc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1OC ZINC000032398947 506248008 /nfs/dbraw/zinc/24/80/08/506248008.db2.gz WMIGXBXCRYGSFR-UHFFFAOYSA-N 0 3 354.450 2.882 50 0 FFAAHN CC[C@@H](CNC(=O)[C@@H]1Cc2ccccc2O1)N1CCc2ccccc2C1 ZINC000032446761 506255081 /nfs/dbraw/zinc/25/50/81/506255081.db2.gz 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ZINC000032912648 506310334 /nfs/dbraw/zinc/31/03/34/506310334.db2.gz QQUUITJANOBJQF-VQIMIIECSA-N 0 3 357.454 2.728 50 0 FFAAHN O[C@@H](CNCCNc1nccc(C(F)(F)F)n1)CSc1ccccc1 ZINC000004299446 506369390 /nfs/dbraw/zinc/36/93/90/506369390.db2.gz ZMHPJEUQVNFNNB-LBPRGKRZSA-N 0 3 372.416 2.650 50 0 FFAAHN CCN1C[C@H](CN(C)C[C@H](O)COc2ccccc2F)Oc2ccccc21 ZINC000034872108 506371647 /nfs/dbraw/zinc/37/16/47/506371647.db2.gz CCRZBXDKCQCKKJ-IRXDYDNUSA-N 0 3 374.456 2.785 50 0 FFAAHN CCn1nc(-c2ccc3c(c2)OCO3)cc1C(=O)NCCN1CCCCC1 ZINC000034903489 506371673 /nfs/dbraw/zinc/37/16/73/506371673.db2.gz NKCIHTBCJIBIGO-UHFFFAOYSA-N 0 3 370.453 2.514 50 0 FFAAHN CC(C)CCN1CCN(Cc2cccn2-c2cccnc2)C[C@H]1CCO ZINC000036385779 506404949 /nfs/dbraw/zinc/40/49/49/506404949.db2.gz YGWXSXSOLSACMZ-HXUWFJFHSA-N 0 3 356.514 2.787 50 0 FFAAHN COC(=O)C1=C(CN2CCCC[C@@H]2C)NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000036512361 506405781 /nfs/dbraw/zinc/40/57/81/506405781.db2.gz GDARBXUVMYRJPW-KXBFYZLASA-N 0 3 371.481 2.959 50 0 FFAAHN COc1cc(/C=C/C(=O)NCCN2CCC[C@H](C)C2)cc(OC)c1OC ZINC000039563628 506454240 /nfs/dbraw/zinc/45/42/40/506454240.db2.gz QVJRDZSUGUQSFN-KIUWMYQTSA-N 0 3 362.470 2.574 50 0 FFAAHN CN(C)Cc1ccccc1CNC(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000007065776 506530330 /nfs/dbraw/zinc/53/03/30/506530330.db2.gz AQPIPAGRROVJDC-UHFFFAOYSA-N 0 3 365.477 2.734 50 0 FFAAHN CCN(CC)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000007612545 506573104 /nfs/dbraw/zinc/57/31/04/506573104.db2.gz FIWPQAAURJGMCC-UHFFFAOYSA-N 0 3 358.813 2.979 50 0 FFAAHN COCCN(C(=O)c1ccc(NC(=O)C2CCC2)cc1)C1CCN(C)CC1 ZINC000055152762 506686777 /nfs/dbraw/zinc/68/67/77/506686777.db2.gz YDHBSXIKDDVZHI-UHFFFAOYSA-N 0 3 373.497 2.608 50 0 FFAAHN CN(C)Cc1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000009916967 506717106 /nfs/dbraw/zinc/71/71/06/506717106.db2.gz BKLABVIDPNQUJB-UHFFFAOYSA-N 0 3 355.463 2.722 50 0 FFAAHN O=C(NCC1CCN(Cc2ccsc2)CC1)[C@@H]1COc2ccccc2O1 ZINC000043971768 506802493 /nfs/dbraw/zinc/80/24/93/506802493.db2.gz ZZKZNMXNQMSPJY-IBGZPJMESA-N 0 3 372.490 2.916 50 0 FFAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)Cn1cccn1 ZINC000012072805 506812329 /nfs/dbraw/zinc/81/23/29/506812329.db2.gz CXYAYQYKAAQPNN-IBGZPJMESA-N 0 3 372.488 2.825 50 0 FFAAHN OCC[C@@H]1CN(Cc2nc(-c3ccccc3)no2)CCN1C1CCCCC1 ZINC000022919339 507319979 /nfs/dbraw/zinc/31/99/79/507319979.db2.gz JVAYHJZRKAVTNC-LJQANCHMSA-N 0 3 370.497 2.938 50 0 FFAAHN CN1CCC(NC(=O)COc2ccc(Cl)cc2Br)CC1 ZINC000047829219 507398945 /nfs/dbraw/zinc/39/89/45/507398945.db2.gz HYBBZUYMHQSRFM-UHFFFAOYSA-N 0 3 361.667 2.692 50 0 FFAAHN CCN(CC)[C@@H](Cn1c(=O)[nH]c2ccccc2c1=O)c1cccc(OC)c1 ZINC000025044976 507460683 /nfs/dbraw/zinc/46/06/83/507460683.db2.gz GOOTXIPUFPOQGG-IBGZPJMESA-N 0 3 367.449 2.782 50 0 FFAAHN COC(=O)C1=C(CN2CCCC[C@@H]2C)NC(=O)N[C@@H]1c1ccccc1C ZINC000026455853 507589575 /nfs/dbraw/zinc/58/95/75/507589575.db2.gz GYKGGYRCKBGYPY-KBXCAEBGSA-N 0 3 357.454 2.650 50 0 FFAAHN COC(=O)c1ccc(CN(C)C[C@H](O)COc2cc(C)ccc2C)cc1 ZINC000027207797 507637864 /nfs/dbraw/zinc/63/78/64/507637864.db2.gz JRSBNUAXQSJEDP-IBGZPJMESA-N 0 3 357.450 2.962 50 0 FFAAHN CN(C)S(=O)(=O)CCCN1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000072150460 507759509 /nfs/dbraw/zinc/75/95/09/507759509.db2.gz HLTDTTBDXWKNED-HNNXBMFYSA-N 0 3 374.497 2.891 50 0 FFAAHN CCn1nc(C)cc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072149749 507760255 /nfs/dbraw/zinc/76/02/55/507760255.db2.gz SLFQFJJSZTUDLD-HMXCVIKNSA-N 0 3 364.493 2.914 50 0 FFAAHN COC(=O)c1cccnc1N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072152734 507761267 /nfs/dbraw/zinc/76/12/67/507761267.db2.gz PWSRVRUAIUZULD-VAMGGRTRSA-N 0 3 363.461 2.935 50 0 FFAAHN Cc1nccn1C[C@@H]1CCCN(Cc2cnc(N3CCCCC3)nc2)C1 ZINC000072154992 507762606 /nfs/dbraw/zinc/76/26/06/507762606.db2.gz MZSQVBOWBHSJMJ-GOSISDBHSA-N 0 3 354.502 2.884 50 0 FFAAHN COC(=O)c1cc(CN(Cc2cccnc2)C2CCN(C)CC2)ccc1O ZINC000072156062 507763051 /nfs/dbraw/zinc/76/30/51/507763051.db2.gz NMELBZDXUSTOGU-UHFFFAOYSA-N 0 3 369.465 2.670 50 0 FFAAHN Cc1cc(N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)nc(N)n1 ZINC000072171637 507769254 /nfs/dbraw/zinc/76/92/54/507769254.db2.gz NKRUJPJYDSUVPE-QXAKKESOSA-N 0 3 371.435 2.712 50 0 FFAAHN Cc1cccc(OCC(=O)N2CCC([C@H](C)N3CCOCC3)CC2)c1C ZINC000072410686 507785656 /nfs/dbraw/zinc/78/56/56/507785656.db2.gz SZDORTXENULCPI-SFHVURJKSA-N 0 3 360.498 2.642 50 0 FFAAHN Cc1cc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]cn3)C2)oc1C ZINC000072420350 507787151 /nfs/dbraw/zinc/78/71/51/507787151.db2.gz YGTYJEMRVIAJMA-QFBILLFUSA-N 0 3 356.470 2.675 50 0 FFAAHN Cc1cc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cnc[nH]3)C2)oc1C ZINC000072420350 507787152 /nfs/dbraw/zinc/78/71/52/507787152.db2.gz YGTYJEMRVIAJMA-QFBILLFUSA-N 0 3 356.470 2.675 50 0 FFAAHN Cc1cc2nc(-c3ccccc3)cc(NCCCN3CCC[C@@H](O)C3)n2n1 ZINC000072432607 507790400 /nfs/dbraw/zinc/79/04/00/507790400.db2.gz AFAYGJSHXBRFOI-GOSISDBHSA-N 0 3 365.481 2.963 50 0 FFAAHN CCN1CC2(CCN(C[C@]3(c4cccc(F)c4)CCOC3)CC2)OC1=O ZINC000072447478 507793353 /nfs/dbraw/zinc/79/33/53/507793353.db2.gz LHTNBQOJELSOLO-LJQANCHMSA-N 0 3 362.445 2.791 50 0 FFAAHN CN(CCO)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000072454307 507793474 /nfs/dbraw/zinc/79/34/74/507793474.db2.gz QBMWQXIFHDPMOY-UHFFFAOYSA-N 0 3 365.433 2.751 50 0 FFAAHN CN1CCC(N(CCc2ccccc2)C(=O)c2cccc(CO)c2)CC1 ZINC000072473833 507795395 /nfs/dbraw/zinc/79/53/95/507795395.db2.gz WJKYOYRNQZCLOE-UHFFFAOYSA-N 0 3 352.478 2.958 50 0 FFAAHN C[C@H](C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1)N1CCOCC1 ZINC000072477044 507796030 /nfs/dbraw/zinc/79/60/30/507796030.db2.gz OCPJDQMVPPRPBO-CQSZACIVSA-N 0 3 368.880 2.981 50 0 FFAAHN O=C1CC[C@H]2CN(Cc3cc4ccccc4[nH]3)CC[C@H]2N1CCCCO ZINC000072476943 507796459 /nfs/dbraw/zinc/79/64/59/507796459.db2.gz ROWWQELCWJZKLB-FXAWDEMLSA-N 0 3 355.482 2.753 50 0 FFAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000079057377 507929067 /nfs/dbraw/zinc/92/90/67/507929067.db2.gz VTFFHMHWHJTJQO-MLGOLLRUSA-N 0 3 356.445 2.983 50 0 FFAAHN O=C1NCCC[C@]12CCN(Cc1cnc(-c3ccc(Cl)cc3)nc1)C2 ZINC000091575545 507993195 /nfs/dbraw/zinc/99/31/95/507993195.db2.gz XZHBMEXCGQVQTA-LJQANCHMSA-N 0 3 356.857 2.899 50 0 FFAAHN Cc1sc2ccccc2c1CN1CCN(C)[C@]2(C1)CCNC(=O)CC2 ZINC000091779959 508012180 /nfs/dbraw/zinc/01/21/80/508012180.db2.gz UCVSMDSUMRWZQG-FQEVSTJZSA-N 0 3 357.523 2.996 50 0 FFAAHN O=C(CCc1nc(Cl)n[n-]1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091966002 508028488 /nfs/dbraw/zinc/02/84/88/508028488.db2.gz ODKOOHZBYBGOCA-HZPDHXFCSA-N 0 3 373.888 2.514 50 0 FFAAHN O=C(CCc1nc(Cl)n[n-]1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091966002 508028490 /nfs/dbraw/zinc/02/84/90/508028490.db2.gz ODKOOHZBYBGOCA-HZPDHXFCSA-N 0 3 373.888 2.514 50 0 FFAAHN CC(=O)c1ccccc1C(=O)N1CCC(c2nccn2CCN(C)C)CC1 ZINC000092065486 508039238 /nfs/dbraw/zinc/03/92/38/508039238.db2.gz WYPNMSQIWYORHH-UHFFFAOYSA-N 0 3 368.481 2.667 50 0 FFAAHN Ic1ccc(CN2CCN3CCCC[C@@H]3C2)cc1 ZINC000093952606 508162586 /nfs/dbraw/zinc/16/25/86/508162586.db2.gz AFMXXCIPBOMZAX-OAHLLOKOSA-N 0 3 356.251 2.961 50 0 FFAAHN Cc1cc(CN2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)ccc1F ZINC000095354437 508174776 /nfs/dbraw/zinc/17/47/76/508174776.db2.gz OVNSQTFPSRNJAP-QGZVFWFLSA-N 0 3 368.460 2.887 50 0 FFAAHN CCc1ncc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)cn1 ZINC000095357806 508175170 /nfs/dbraw/zinc/17/51/70/508175170.db2.gz IANGWLYSQGOOHH-IEBWSBKVSA-N 0 3 350.466 2.776 50 0 FFAAHN Cc1noc2ncnc(NC[C@H]3C[C@@H](CO)N(C)[C@H]3c3ccccc3F)c12 ZINC000095361711 508175817 /nfs/dbraw/zinc/17/58/17/508175817.db2.gz DGZVUECIBDYCTF-IIYDPXPESA-N 0 3 371.416 2.531 50 0 FFAAHN CSc1ncccc1C(=O)N1CCC[C@@H](c2nccn2CCN(C)C)C1 ZINC000095360725 508176327 /nfs/dbraw/zinc/17/63/27/508176327.db2.gz FJJMAGOPWPOZOA-OAHLLOKOSA-N 0 3 373.526 2.581 50 0 FFAAHN c1ccc(CN2C[C@H]3CC[C@H](CN3Cc3ccc4c(c3)OCCO4)C2)nc1 ZINC000095363824 508177055 /nfs/dbraw/zinc/17/70/55/508177055.db2.gz ACSYPUSTYDBYOV-AZUAARDMSA-N 0 3 365.477 2.949 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)CCc3cccnc3)C[C@H]2N(C)C)cc1 ZINC000095366314 508177391 /nfs/dbraw/zinc/17/73/91/508177391.db2.gz OFNGZROYOMNRTE-VQTJNVASSA-N 0 3 353.466 2.579 50 0 FFAAHN Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)nc(C)n1 ZINC000095370053 508178176 /nfs/dbraw/zinc/17/81/76/508178176.db2.gz LYNJYTMOGVLTQH-RTBURBONSA-N 0 3 350.466 2.830 50 0 FFAAHN CN1CCN(Cc2ccc(F)c(Cl)c2F)C[C@]12CCC(=O)N(C)CC2 ZINC000095371415 508178588 /nfs/dbraw/zinc/17/85/88/508178588.db2.gz UBRBSWNOLQNDCE-GOSISDBHSA-N 0 3 371.859 2.747 50 0 FFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(c2noc(-c3ccccc3)n2)C1 ZINC000095386414 508182913 /nfs/dbraw/zinc/18/29/13/508182913.db2.gz DDYFYQDWMYVIFN-KRWDZBQOSA-N 0 3 366.469 2.879 50 0 FFAAHN Cc1nccn1Cc1nnc([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1C ZINC000095388100 508182945 /nfs/dbraw/zinc/18/29/45/508182945.db2.gz QDOQGDCJSJGTPC-QGZVFWFLSA-N 0 3 368.460 2.887 50 0 FFAAHN O=C(C1CCCC1)N1CC[C@]2(O)CCN(CCOc3ccccc3)C[C@@H]2C1 ZINC000095388460 508183149 /nfs/dbraw/zinc/18/31/49/508183149.db2.gz LNKBFVNDZINUEH-DENIHFKCSA-N 0 3 372.509 2.541 50 0 FFAAHN CS[C@@H]1CN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C[C@H]1N(C)C ZINC000095444663 508185658 /nfs/dbraw/zinc/18/56/58/508185658.db2.gz UVZZRJXSFROBHE-HZPDHXFCSA-N 0 3 364.902 2.643 50 0 FFAAHN CC1(C)CN(Cc2ccc(OC[C@H](O)CN3CCCCC3)cc2)CCO1 ZINC000095497318 508189833 /nfs/dbraw/zinc/18/98/33/508189833.db2.gz QIJUPZOZJJFOSR-LJQANCHMSA-N 0 3 362.514 2.523 50 0 FFAAHN COc1ccc(C(C)(C)C)cc1NC(=O)NCCCN1CCC[C@@H](O)C1 ZINC000095504268 508191544 /nfs/dbraw/zinc/19/15/44/508191544.db2.gz HCYQAYYBGSHQAY-MRXNPFEDSA-N 0 3 363.502 2.961 50 0 FFAAHN Cc1ccc(NCCCNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)nc1 ZINC000095508059 508191991 /nfs/dbraw/zinc/19/19/91/508191991.db2.gz OYFDOEZTAWVYQW-QGZVFWFLSA-N 0 3 356.470 2.813 50 0 FFAAHN O[C@@H](COc1cccc(CN2CCC2)c1)CN1CCc2ccccc2C1 ZINC000095525220 508195441 /nfs/dbraw/zinc/19/54/41/508195441.db2.gz WYZFQEUBGAQTOK-OAQYLSRUSA-N 0 3 352.478 2.690 50 0 FFAAHN COc1ccc(CN2CCC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000095524797 508195702 /nfs/dbraw/zinc/19/57/02/508195702.db2.gz FVXZGNLQPJLARK-HXUWFJFHSA-N 0 3 370.493 2.773 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@H]2N(C)C)cc1 ZINC000095528986 508196523 /nfs/dbraw/zinc/19/65/23/508196523.db2.gz RYOICLBCMNDJFN-VQTJNVASSA-N 0 3 356.441 2.933 50 0 FFAAHN Cc1nc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)cs1 ZINC000095529929 508197008 /nfs/dbraw/zinc/19/70/08/508197008.db2.gz ZMMIAVDNDUDUAA-UHFFFAOYSA-N 0 3 373.526 2.820 50 0 FFAAHN Cc1cccc(=O)n1CCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000095530193 508197232 /nfs/dbraw/zinc/19/72/32/508197232.db2.gz PHKLDWXIIUMWHB-UHFFFAOYSA-N 0 3 367.493 2.963 50 0 FFAAHN CCNC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2cccc(OC)c2)C1 ZINC000096000029 508201684 /nfs/dbraw/zinc/20/16/84/508201684.db2.gz RBUUCKZIVRAMNV-HNNXBMFYSA-N 0 3 357.458 2.939 50 0 FFAAHN CCNC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2cccc(OC)c2)C1 ZINC000096000028 508201926 /nfs/dbraw/zinc/20/19/26/508201926.db2.gz RBUUCKZIVRAMNV-OAHLLOKOSA-N 0 3 357.458 2.939 50 0 FFAAHN Cn1ccc2ccc(CN3CCC[C@]4(CCC(=O)N(CCCO)C4)C3)cc21 ZINC000082135177 508226760 /nfs/dbraw/zinc/22/67/60/508226760.db2.gz RFDSLEQYDOYPBU-QFIPXVFZSA-N 0 3 369.509 2.765 50 0 FFAAHN CN(C[C@@H]1COc2ccccc2O1)c1ncnc2sc3c(c21)CCNC3 ZINC000082137042 508226975 /nfs/dbraw/zinc/22/69/75/508226975.db2.gz NQTJLSPRYWERCU-GFCCVEGCSA-N 0 3 368.462 2.613 50 0 FFAAHN Cc1nn(C)c(C)c1CN1C[C@@H](c2ccc(C)cc2)[C@H](NC(=O)C2CC2)C1 ZINC000077487116 508322655 /nfs/dbraw/zinc/32/26/55/508322655.db2.gz HJIJORONAJGJEU-LEWJYISDSA-N 0 3 366.509 2.840 50 0 FFAAHN CC[C@H](C(=O)N1CCC2(CN(CCC(C)C)C(=O)O2)CC1)N1CCCC1 ZINC000077516201 508326708 /nfs/dbraw/zinc/32/67/08/508326708.db2.gz QXBJZNYPSACPGJ-QGZVFWFLSA-N 0 3 365.518 2.720 50 0 FFAAHN CN(C)c1ccc(-c2cncc(C(=O)N3CCC[C@@H](N(C)C)C3)c2)cc1 ZINC000153494105 508589143 /nfs/dbraw/zinc/58/91/43/508589143.db2.gz FZDKOLBARRECKA-HXUWFJFHSA-N 0 3 352.482 2.981 50 0 FFAAHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnc(C)cn1 ZINC000151880626 509102980 /nfs/dbraw/zinc/10/29/80/509102980.db2.gz KXAIQKDPVWOWEX-KRWDZBQOSA-N 0 3 354.454 2.617 50 0 FFAAHN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000248026071 509218408 /nfs/dbraw/zinc/21/84/08/509218408.db2.gz NSQYFGBSTQTYQQ-RIFZZMRRSA-N 0 3 354.450 2.504 50 0 FFAAHN CCOc1cc(CN2C[C@H](O)[C@@H](N3CCCCC3)C2)c(Cl)cc1OC ZINC000214978532 509241555 /nfs/dbraw/zinc/24/15/55/509241555.db2.gz WPUMIKMAWZBHAF-IRXDYDNUSA-N 0 3 368.905 2.778 50 0 FFAAHN CN(C)c1ccc(CN2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)cn1 ZINC000215907542 509252776 /nfs/dbraw/zinc/25/27/76/509252776.db2.gz JPASSGGTTUNBFP-QGZVFWFLSA-N 0 3 364.453 2.972 50 0 FFAAHN CNC(=O)CC1CCN(Cc2ccc(OC)c(CN3CCCC3)c2)CC1 ZINC000216483200 509262459 /nfs/dbraw/zinc/26/24/59/509262459.db2.gz AQXDPFHLXKFIAY-UHFFFAOYSA-N 0 3 359.514 2.639 50 0 FFAAHN Cc1ccc2nc(C)cc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCC3)c2c1 ZINC000219896169 509293464 /nfs/dbraw/zinc/29/34/64/509293464.db2.gz RNUZYWZIDKXEGE-CGRMTHRGSA-N 0 3 365.477 2.833 50 0 FFAAHN OCc1cc2n(n1)CCCN(Cc1cc(CN3CCCCC3)cs1)C2 ZINC000221426303 509307815 /nfs/dbraw/zinc/30/78/15/509307815.db2.gz RGTLEGHKRQIVPX-UHFFFAOYSA-N 0 3 360.527 2.829 50 0 FFAAHN CCOc1ccc(C(=O)N2CCC([NH2+]Cc3nc(C)ccc3[O-])CC2)cc1 ZINC000236958990 509541652 /nfs/dbraw/zinc/54/16/52/509541652.db2.gz MQAMJCHRZCABMT-UHFFFAOYSA-N 0 3 369.465 2.889 50 0 FFAAHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)CSC(C)(C)C ZINC000170601435 509676734 /nfs/dbraw/zinc/67/67/34/509676734.db2.gz SPDSVIYURYVPOQ-LJQANCHMSA-N 0 3 350.528 2.614 50 0 FFAAHN Cn1ncc2c1ncnc2SC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000170617576 509682103 /nfs/dbraw/zinc/68/21/03/509682103.db2.gz AINURXQSXALHPL-INIZCTEOSA-N 0 3 369.494 2.747 50 0 FFAAHN O=C(NCCN1CCC[C@H](CO)C1)C1(c2ccc(Cl)cc2)CCC1 ZINC000252488996 509842279 /nfs/dbraw/zinc/84/22/79/509842279.db2.gz JDKDHYAKUDZLQT-HNNXBMFYSA-N 0 3 350.890 2.582 50 0 FFAAHN COc1ccccc1CNC(=O)CCN1CCC(c2ccnc(C)n2)CC1 ZINC000244659865 509863652 /nfs/dbraw/zinc/86/36/52/509863652.db2.gz HKBNQMQPULNHRP-UHFFFAOYSA-N 0 3 368.481 2.680 50 0 FFAAHN O=C(c1ccc(-n2cccn2)cc1)N1CCCO[C@H](CN2CCCCC2)C1 ZINC000244741929 509867706 /nfs/dbraw/zinc/86/77/06/509867706.db2.gz NZGKOMCNECGXPD-HXUWFJFHSA-N 0 3 368.481 2.589 50 0 FFAAHN CN(CCc1nc2ccc(Cl)cc2[nH]1)c1cc([C@H]2C[C@@H](O)C2)nc(N)n1 ZINC000244778773 509869382 /nfs/dbraw/zinc/86/93/82/509869382.db2.gz PWKADTWWNLWLQM-KLPPZKSPSA-N 0 3 372.860 2.506 50 0 FFAAHN COc1ccc(CN(C[C@@H](O)COC(C)(C)C)C[C@H]2CCCO2)cc1 ZINC000245281411 509885972 /nfs/dbraw/zinc/88/59/72/509885972.db2.gz YVTYJHGDYRRJHC-IEBWSBKVSA-N 0 3 351.487 2.852 50 0 FFAAHN CN(C)Cc1ccccc1CNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000171791785 510370495 /nfs/dbraw/zinc/37/04/95/510370495.db2.gz XIGWBYIOKSJVRF-VQTJNVASSA-N 0 3 371.525 2.793 50 0 FFAAHN CCc1nnc(C2CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC2)[nH]1 ZINC000191503706 510692245 /nfs/dbraw/zinc/69/22/45/510692245.db2.gz FCASUZLAOPGBCD-SFHVURJKSA-N 0 3 367.497 2.738 50 0 FFAAHN CCc1ccccc1NC(=O)[C@@H](C)N1CCN(CC2CCOCC2)CC1 ZINC000172428759 510724114 /nfs/dbraw/zinc/72/41/14/510724114.db2.gz GDJNMWICJHTXNY-QGZVFWFLSA-N 0 3 359.514 2.620 50 0 FFAAHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)C1 ZINC000247515227 510864019 /nfs/dbraw/zinc/86/40/19/510864019.db2.gz YRHCADKNYGSEBC-CRAIPNDOSA-N 0 3 359.514 2.807 50 0 FFAAHN Cc1ccc(C(N)=O)cc1-c1ccc(C(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000426429123 513938815 /nfs/dbraw/zinc/93/88/15/513938815.db2.gz YDRZBDBYMVFSHN-IBGZPJMESA-N 0 3 365.477 2.927 50 0 FFAAHN C[C@H]1CCCCN1C1CN(C(=O)NCCCn2ncc3ccccc32)C1 ZINC000426534498 513972823 /nfs/dbraw/zinc/97/28/23/513972823.db2.gz RVHPWGSSGSCSHM-INIZCTEOSA-N 0 3 355.486 2.695 50 0 FFAAHN O=C(NCCc1c[nH]c2ccccc12)N1CCC(N2CCSCC2)CC1 ZINC000426536213 513973994 /nfs/dbraw/zinc/97/39/94/513973994.db2.gz BOTNPNPRWFONPE-UHFFFAOYSA-N 0 3 372.538 2.933 50 0 FFAAHN Cc1noc(C)c1CN1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 ZINC000426575019 513984301 /nfs/dbraw/zinc/98/43/01/513984301.db2.gz NLKHTKOLMAYWCG-QGZVFWFLSA-N 0 3 372.517 2.785 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000426647267 514004689 /nfs/dbraw/zinc/00/46/89/514004689.db2.gz MZTVYGQIZWSIJC-FXVWLTTGSA-N 0 3 356.514 2.511 50 0 FFAAHN NC(=O)c1cccnc1N1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000426651462 514005692 /nfs/dbraw/zinc/00/56/92/514005692.db2.gz YLZSQZLWBGSMLV-OAQYLSRUSA-N 0 3 368.456 2.812 50 0 FFAAHN Cc1noc(C)c1CC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC000299798192 534333442 /nfs/dbraw/zinc/33/34/42/534333442.db2.gz WKHOOLFZUXWTOT-MOPGFXCFSA-N 0 3 353.466 2.957 50 0 FFAAHN Cc1ccc(CC2(NC(=O)N(CCN(C)C)C[C@H]3CCCO3)CC2)cc1 ZINC000584895767 518528112 /nfs/dbraw/zinc/52/81/12/518528112.db2.gz RGDZVMFKBMGZJQ-LJQANCHMSA-N 0 3 359.514 2.822 50 0 FFAAHN CC(C)CN1CCCn2nc(CNC(=O)[C@@H](C)Oc3ccccc3)cc2C1 ZINC000082135237 519723009 /nfs/dbraw/zinc/72/30/09/519723009.db2.gz SMFJDHHABIOSFS-QGZVFWFLSA-N 0 3 370.497 2.829 50 0 FFAAHN CCCN(CCN(C)C)C(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000078757339 521654604 /nfs/dbraw/zinc/65/46/04/521654604.db2.gz CIEQXJMVYJOBJE-UHFFFAOYSA-N 0 3 362.449 2.999 50 0 FFAAHN CN(C)CCn1ccnc1C1CCN(C(=O)NCCc2ccccc2)CC1 ZINC000091526239 521822484 /nfs/dbraw/zinc/82/24/84/521822484.db2.gz RQSLISMVOKJXBB-UHFFFAOYSA-N 0 3 369.513 2.576 50 0 FFAAHN Cc1cc(C[C@@H]2COC[C@@H]2NCc2cc(=O)c3cc(C)cc(C)c3[nH]2)on1 ZINC000091289492 524827729 /nfs/dbraw/zinc/82/77/29/524827729.db2.gz NJNFGOFNLCGDHY-BEFAXECRSA-N 0 3 367.449 2.789 50 0 FFAAHN CN1CC[C@H](N2CC3(CCC2=O)CCN(c2ccc(Cl)cn2)CC3)C1 ZINC000095363689 536477319 /nfs/dbraw/zinc/47/73/19/536477319.db2.gz UXVCDIGYTHGJRT-INIZCTEOSA-N 0 3 362.905 2.648 50 0 FFAAHN CC(C)=CCN1CCC2(CC[C@H](CNC(=O)Cc3cc(C)no3)O2)CC1 ZINC000299777054 527429078 /nfs/dbraw/zinc/42/90/78/527429078.db2.gz NOMJHVNWFPYEOX-QGZVFWFLSA-N 0 3 361.486 2.622 50 0 FFAAHN CC(C)CN1CCCn2nc(CNC(=O)CSc3ccccn3)cc2C1 ZINC000299799554 527986945 /nfs/dbraw/zinc/98/69/45/527986945.db2.gz HDPLRBNRZYUZHK-UHFFFAOYSA-N 0 3 373.526 2.548 50 0 FFAAHN COC(=O)/C=C1/SCC(=O)N1CCCN1CCC[C@@H]1c1ccccc1 ZINC000103992225 570855819 /nfs/dbraw/zinc/85/58/19/570855819.db2.gz IBUDYYWSSQUPLZ-APVMCDBPSA-N 0 3 360.479 2.803 50 0 FFAAHN CN(C)CCN(Cc1ccccc1F)C(=O)NCc1ccc2c(c1)OCO2 ZINC000048364678 570952368 /nfs/dbraw/zinc/95/23/68/570952368.db2.gz XDNWXVDCWAVLDS-UHFFFAOYSA-N 0 3 373.428 2.828 50 0 FFAAHN COCCN1CC[C@H](CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000150850300 571160580 /nfs/dbraw/zinc/16/05/80/571160580.db2.gz GNSDENNUFYBLJK-QGZVFWFLSA-N 0 3 374.506 2.600 50 0 FFAAHN COc1ccccc1-c1ccc(C(=O)NCCN2CCCC[C@H]2CO)cc1 ZINC000670449221 571352123 /nfs/dbraw/zinc/35/21/23/571352123.db2.gz FITRCVWSAMJDJN-IBGZPJMESA-N 0 3 368.477 2.939 50 0 FFAAHN Cc1nn(C)cc1CN1CCC(CCc2noc(C3CCOCC3)n2)CC1 ZINC000675024446 971514449 /nfs/dbraw/zinc/51/44/49/971514449.db2.gz HBWMLYJKDWZMSQ-UHFFFAOYSA-N 0 3 373.501 2.850 50 0 FFAAHN Cn1nc(-c2ccccn2)cc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000096141447 968867611 /nfs/dbraw/zinc/86/76/11/968867611.db2.gz YOOWAMWAMZDDHU-UHFFFAOYSA-N 0 3 368.485 2.964 50 0 FFAAHN COc1ccc(CC(=O)NC[C@@H]2CCCN(Cc3cccc(C)n3)C2)cc1 ZINC000011821136 988140898 /nfs/dbraw/zinc/14/08/98/988140898.db2.gz DWNUKPBAVWKBPU-IBGZPJMESA-N 0 3 367.493 2.970 50 0 FFAAHN CCc1nccn1CCC(=O)NC[C@@H]1CCCN(Cc2ccc(C)o2)C1 ZINC000823557454 999058260 /nfs/dbraw/zinc/05/82/60/999058260.db2.gz QSUNJADNVSIYGM-KRWDZBQOSA-N 0 3 358.486 2.765 50 0 FFAAHN O=C(NCCN1CCCCC1)[C@H]1CCCCC(=O)N1Cc1ccccc1 ZINC000581785764 999944483 /nfs/dbraw/zinc/94/44/83/999944483.db2.gz PZKOJJKQJRIMMV-LJQANCHMSA-N 0 3 357.498 2.560 50 0 FFAAHN CO[C@H]1CN(C(C)C)[C@H]1C1CCN(C(=O)NCCc2ccccc2)CC1 ZINC000581813116 999947342 /nfs/dbraw/zinc/94/73/42/999947342.db2.gz BYHALRAZQLIVLK-PMACEKPBSA-N 0 3 359.514 2.758 50 0 FFAAHN CC(=O)NCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC000585087188 1008317728 /nfs/dbraw/zinc/31/77/28/1008317728.db2.gz HRQKDDQEBIQODL-UHFFFAOYSA-N 0 3 361.486 2.682 50 0 FFAAHN c1c2nnn1CCCOc1cccc(c1)[C@H]1NCCc3cc(ccc31)OC2 ZINC000952857268 1010991120 /nfs/dbraw/zinc/99/11/20/1010991120.db2.gz CDFZLQSOQURIDO-OAQYLSRUSA-N 0 3 362.433 2.875 50 0 FFAAHN Cc1ccsc1[C@H](CNC(=O)CN1CCOc2ccccc2C1)N(C)C ZINC000952983169 1011036965 /nfs/dbraw/zinc/03/69/65/1011036965.db2.gz STNZBNBWGOHPGB-KRWDZBQOSA-N 0 3 373.522 2.670 50 0 FFAAHN Cc1ccc(CN(CCN(C)C)C(=O)[C@@H]2CC(=O)OC23CCCC3)cc1 ZINC000952988756 1011046130 /nfs/dbraw/zinc/04/61/30/1011046130.db2.gz PBIXPXWYCRERLN-SFHVURJKSA-N 0 3 358.482 2.761 50 0 FFAAHN COc1cccc([C@@H](O)CN2CCC(c3nnc4ccccn43)CC2)c1 ZINC000115532661 1011500674 /nfs/dbraw/zinc/50/06/74/1011500674.db2.gz JDLIQPACYWJWDW-SFHVURJKSA-N 0 3 352.438 2.651 50 0 FFAAHN Cc1cccc(-c2ncc(CNCCc3nc(-c4ccncc4)n[nH]3)cn2)c1 ZINC000055327147 1018384126 /nfs/dbraw/zinc/38/41/26/1018384126.db2.gz VMXQVBWNRMRDLA-UHFFFAOYSA-N 0 3 371.448 2.964 50 0 FFAAHN COc1cccc(CC2(CO)CCN(C(=O)[C@H]3CCCCCN3C)CC2)c1 ZINC000067908203 1019198322 /nfs/dbraw/zinc/19/83/22/1019198322.db2.gz FNQHCQVULRJVDY-HXUWFJFHSA-N 0 3 374.525 2.713 50 0 FFAAHN Cc1nc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)co1 ZINC000072409890 1019889976 /nfs/dbraw/zinc/88/99/76/1019889976.db2.gz FYPDSXZHDMGLEE-IOMROCGXSA-N 0 3 367.449 2.774 50 0 FFAAHN Cc1ccc(-n2cc(CN3C[C@H](O)[C@H](Cc4ccncc4)C3)cn2)cc1C ZINC001529133366 1062182612 /nfs/dbraw/zinc/18/26/12/1062182612.db2.gz JSHAASHDEMAAPW-IRLDBZIGSA-N 0 3 362.477 2.920 50 0 FFAAHN O=C(c1ccccc1C(F)(F)F)N1CCN([C@H]2CN3CCC2CC3)CC1 ZINC000244900140 222944976 /nfs/dbraw/zinc/94/49/76/222944976.db2.gz ZWTBFIATHXOWTJ-KRWDZBQOSA-N 0 3 367.415 2.557 50 0 FFAAHN Cc1ccc([C@H](NC(=O)CCN2CCN(C)CC2)c2cccnc2)c(C)c1 ZINC000299790922 223099183 /nfs/dbraw/zinc/09/91/83/223099183.db2.gz DKXDXFIZONVKBJ-JOCHJYFZSA-N 0 3 366.509 2.542 50 0 FFAAHN COc1cc(C(=O)NCCN2CCCC2)ccc1OCc1c(C)noc1C ZINC000012850809 220035393 /nfs/dbraw/zinc/03/53/93/220035393.db2.gz UENYFFMKLXCQIQ-UHFFFAOYSA-N 0 3 373.453 2.705 50 0 FFAAHN COc1ccccc1[C@@H](CNc1ncnc2c1cnn2C)N1CCCC1 ZINC000014216701 220116774 /nfs/dbraw/zinc/11/67/74/220116774.db2.gz YIYOWULIRGUOEH-MRXNPFEDSA-N 0 3 352.442 2.621 50 0 FFAAHN CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1ccc(C)o1)C2 ZINC000014733615 220130997 /nfs/dbraw/zinc/13/09/97/220130997.db2.gz SZXIFSUHZJWGNR-HNNXBMFYSA-N 0 3 356.470 2.688 50 0 FFAAHN COc1ccc(CC(=O)NC[C@H]2CCCN(Cc3ccncc3)C2)cc1 ZINC000015072806 220146336 /nfs/dbraw/zinc/14/63/36/220146336.db2.gz ATKAHYYAWUDIMT-LJQANCHMSA-N 0 3 353.466 2.661 50 0 FFAAHN Cc1cc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3F)C2)[nH]n1 ZINC000015073206 220145314 /nfs/dbraw/zinc/14/53/14/220145314.db2.gz UHHPNHPNTDUIJX-INIZCTEOSA-N 0 3 358.461 2.884 50 0 FFAAHN Cc1cc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3F)C2)n[nH]1 ZINC000015073206 220145318 /nfs/dbraw/zinc/14/53/18/220145318.db2.gz UHHPNHPNTDUIJX-INIZCTEOSA-N 0 3 358.461 2.884 50 0 FFAAHN CCN1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000015679396 220161017 /nfs/dbraw/zinc/16/10/17/220161017.db2.gz SDHMGEXYSLOKBC-UHFFFAOYSA-N 0 3 363.259 2.617 50 0 FFAAHN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCN(C)C ZINC000015681389 220161069 /nfs/dbraw/zinc/16/10/69/220161069.db2.gz HCEXXKUOHWDXDJ-UHFFFAOYSA-N 0 3 351.454 2.571 50 0 FFAAHN COc1ccccc1N1C(=O)C[C@H](NC23CC4CC(CC(C4)C2)C3)C1=O ZINC000019881462 220303194 /nfs/dbraw/zinc/30/31/94/220303194.db2.gz KJCDCLRQZGQAJE-IIFATDLDSA-N 0 3 354.450 2.886 50 0 FFAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)c1n[nH]c(=O)c2ccccc21 ZINC000021317093 220355928 /nfs/dbraw/zinc/35/59/28/220355928.db2.gz WSZNCHGAKKZNKA-OAHLLOKOSA-N 0 3 368.462 2.552 50 0 FFAAHN Cc1cc(=O)n2nc(NC3CCN(Cc4ccccc4)CC3)sc2n1 ZINC000040049458 220873821 /nfs/dbraw/zinc/87/38/21/220873821.db2.gz KGUQMKWQORUZII-UHFFFAOYSA-N 0 3 355.467 2.536 50 0 FFAAHN O=C(CCN1CCOCC1)Nc1cccc(CNCc2ccc(F)cc2)c1 ZINC000048777999 221014381 /nfs/dbraw/zinc/01/43/81/221014381.db2.gz NOJNTABQTHBJAG-UHFFFAOYSA-N 0 3 371.456 2.776 50 0 FFAAHN COc1ccc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1 ZINC000053996579 221049298 /nfs/dbraw/zinc/04/92/98/221049298.db2.gz RNCXENAOXSCKFB-UHFFFAOYSA-N 0 3 367.449 2.645 50 0 FFAAHN Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)n1 ZINC000057202432 221084825 /nfs/dbraw/zinc/08/48/25/221084825.db2.gz CUUKKZLTSKIMQY-UZLBHIALSA-N 0 3 371.529 2.608 50 0 FFAAHN C[C@@H](CNC(=O)c1ccc(OCc2nccn2C)cc1)N1CCC[C@@H](C)C1 ZINC000058167919 221101715 /nfs/dbraw/zinc/10/17/15/221101715.db2.gz SPGFBTAWOSMMNA-SJORKVTESA-N 0 3 370.497 2.849 50 0 FFAAHN C[C@H](CNC(=O)Nc1cc(Cl)ccc1Cl)CN1CCN(C)CC1 ZINC000058197461 221105235 /nfs/dbraw/zinc/10/52/35/221105235.db2.gz OAVYZMFVOQHKBQ-GFCCVEGCSA-N 0 3 359.301 2.998 50 0 FFAAHN Cc1noc(C)c1COc1cccc(C(=O)N[C@H]2CCN(C3CC3)C2)c1 ZINC000058203218 221106036 /nfs/dbraw/zinc/10/60/36/221106036.db2.gz VOIIUZOFZLTWNE-INIZCTEOSA-N 0 3 355.438 2.837 50 0 FFAAHN CN1CCN(CCCCNC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000057881156 221095122 /nfs/dbraw/zinc/09/51/22/221095122.db2.gz DPCPQUQTUHLEKI-UHFFFAOYSA-N 0 3 358.408 2.855 50 0 FFAAHN CN1CCC(NC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000058406806 221117623 /nfs/dbraw/zinc/11/76/23/221117623.db2.gz IDWHDBYMDGCZHB-CQSZACIVSA-N 0 3 350.894 2.560 50 0 FFAAHN O=C(CCNC[C@H]1OCCc2ccccc21)N1CCc2ccccc2C1 ZINC000065394396 221209677 /nfs/dbraw/zinc/20/96/77/221209677.db2.gz JLJMOTFRMIXSKK-OAQYLSRUSA-N 0 3 350.462 2.865 50 0 FFAAHN Cc1cc(-n2nc(C3CC3)nc2[C@@H](Cc2ccccc2)n2cnnn2)ccn1 ZINC000065406388 221214485 /nfs/dbraw/zinc/21/44/85/221214485.db2.gz AUHRMTNAVCIZNQ-GOSISDBHSA-N 0 3 372.436 2.667 50 0 FFAAHN Cc1cccc(CCNC[C@]2(O)CCCN(CCC3CCCCC3)C2=O)n1 ZINC000067724779 221278302 /nfs/dbraw/zinc/27/83/02/221278302.db2.gz PYVJQSGFSSPCDC-JOCHJYFZSA-N 0 3 373.541 2.846 50 0 FFAAHN Cc1ccc2[nH]c(=O)c(CN3CCC(C(=O)N4CCCC4)CC3)cc2c1 ZINC000067676063 221269296 /nfs/dbraw/zinc/26/92/96/221269296.db2.gz KRJPATUSFDDMII-UHFFFAOYSA-N 0 3 353.466 2.671 50 0 FFAAHN CN1CCN(C)C2(CCN(C(=O)[C@@]3(c4cccs4)CC3(C)C)CC2)C1 ZINC000067739779 221279045 /nfs/dbraw/zinc/27/90/45/221279045.db2.gz SXXXRTPWRANJFA-FQEVSTJZSA-N 0 3 361.555 2.654 50 0 FFAAHN CC(C)(C)C[C@@H](N)C(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000067696043 221273113 /nfs/dbraw/zinc/27/31/13/221273113.db2.gz ADUNFDRXMGPDRN-QGZVFWFLSA-N 0 3 369.465 2.939 50 0 FFAAHN Cc1noc(C)c1CN1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 ZINC000067869200 221298295 /nfs/dbraw/zinc/29/82/95/221298295.db2.gz FNHOPTWOBSEQHC-UHFFFAOYSA-N 0 3 353.426 2.545 50 0 FFAAHN Cc1ccccc1O[C@@H](C(=O)N1CCC2(CC1)CN(C)CCN2C)C(C)C ZINC000067886676 221300539 /nfs/dbraw/zinc/30/05/39/221300539.db2.gz YOTKDOWRMGBSPL-HXUWFJFHSA-N 0 3 373.541 2.637 50 0 FFAAHN CCCN1CCN(C)C2(CCN(C(=O)c3ccc(OCC)cc3)CC2)C1 ZINC000067885460 221301721 /nfs/dbraw/zinc/30/17/21/221301721.db2.gz JNFJNABZNPBXEY-UHFFFAOYSA-N 0 3 359.514 2.718 50 0 FFAAHN CCS(=O)(=O)c1ccc(C(=O)NC[C@]2(N(C)C)CCC[C@@H](C)C2)cc1 ZINC000069119166 221321435 /nfs/dbraw/zinc/32/14/35/221321435.db2.gz XMRMWIZOIUQFPY-BEFAXECRSA-N 0 3 366.527 2.721 50 0 FFAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cnc(N3CCCCC3)nc1C)C2 ZINC000091663924 132202943 /nfs/dbraw/zinc/20/29/43/132202943.db2.gz WDLJEGWRSXWWEK-QZTJIDSGSA-N 0 3 371.529 2.722 50 0 FFAAHN Cc1ccc(C)c(N2N=C(C(=O)N[C@@H](C)C3=CCN(C)CC3)CCC2=O)c1 ZINC000095469065 132211504 /nfs/dbraw/zinc/21/15/04/132211504.db2.gz RTHSTZGHYHJVMK-INIZCTEOSA-N 0 3 368.481 2.553 50 0 FFAAHN COc1ccnc(CNC2CCN(c3ncnc4ccsc43)CC2)c1 ZINC000095505051 132212566 /nfs/dbraw/zinc/21/25/66/132212566.db2.gz KTGQLYCSUPRQCC-UHFFFAOYSA-N 0 3 355.467 2.854 50 0 FFAAHN COc1cccc2c1OCC(CN[C@H]1CCCN(c3ncccn3)C1)=C2 ZINC000014980494 136132260 /nfs/dbraw/zinc/13/22/60/136132260.db2.gz IZYKMPWJXBTLSB-KRWDZBQOSA-N 0 3 352.438 2.520 50 0 FFAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)CCC3CCCCC3)CC2)n1 ZINC000072437744 136147435 /nfs/dbraw/zinc/14/74/35/136147435.db2.gz JROWYOQCSCUSQZ-UHFFFAOYSA-N 0 3 359.518 2.860 50 0 FFAAHN FC(F)(F)c1nc(NCc2cc3n(n2)CCCNC3)nc2c1CCCC2 ZINC000082161215 221708555 /nfs/dbraw/zinc/70/85/55/221708555.db2.gz DUNJQXZFPNASFM-UHFFFAOYSA-N 0 3 366.391 2.676 50 0 FFAAHN C[C@H](C1CCN(C(=O)Nc2cccc(N(C)C)c2)CC1)N1CCN(C)CC1 ZINC000096150498 222051449 /nfs/dbraw/zinc/05/14/49/222051449.db2.gz WSFQJTTUWNHGNL-QGZVFWFLSA-N 0 3 373.545 2.632 50 0 FFAAHN COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@H]2CCCCCN2C)C3)cc1 ZINC000096153900 222056053 /nfs/dbraw/zinc/05/60/53/222056053.db2.gz VVRJABBYRFPCHX-LJQANCHMSA-N 0 3 368.481 2.844 50 0 FFAAHN COc1ccc(-c2nc3c([nH]2)CN(C(=O)[C@H]2CCCCCN2C)CC3)cc1 ZINC000096153900 222056058 /nfs/dbraw/zinc/05/60/58/222056058.db2.gz VVRJABBYRFPCHX-LJQANCHMSA-N 0 3 368.481 2.844 50 0 FFAAHN O=C(c1ccccc1-n1cccn1)N1CCC(N2CCSCC2)CC1 ZINC000097553388 222190918 /nfs/dbraw/zinc/19/09/18/222190918.db2.gz LLRSEQDBHXADNX-UHFFFAOYSA-N 0 3 356.495 2.526 50 0 FFAAHN OC[C@H]1CN(Cc2nccs2)CCC12CCN(Cc1ccncc1)CC2 ZINC000097578986 222194664 /nfs/dbraw/zinc/19/46/64/222194664.db2.gz QPMDLGLZBRYTJE-GOSISDBHSA-N 0 3 372.538 2.635 50 0 FFAAHN O=C(c1cnn(Cc2ccccc2)c1)N1CCC(N2CCSCC2)CC1 ZINC000097675468 222204353 /nfs/dbraw/zinc/20/43/53/222204353.db2.gz FEUZPYSLROXYFP-UHFFFAOYSA-N 0 3 370.522 2.585 50 0 FFAAHN Cc1ccc(CNc2nn3c(nc(CN4CCC(C)CC4)cc3=O)[nH]2)cc1 ZINC000101795980 222284186 /nfs/dbraw/zinc/28/41/86/222284186.db2.gz MHMXCYBUUCBNPU-UHFFFAOYSA-N 0 3 366.469 2.570 50 0 FFAAHN Cc1ccc(CNc2nn3c([n-]2)nc(C[NH+]2CCC(C)CC2)cc3=O)cc1 ZINC000101795980 222284188 /nfs/dbraw/zinc/28/41/88/222284188.db2.gz MHMXCYBUUCBNPU-UHFFFAOYSA-N 0 3 366.469 2.570 50 0 FFAAHN C[C@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)N1CCC[C@@H](C)C1 ZINC000106147945 222383143 /nfs/dbraw/zinc/38/31/43/222383143.db2.gz VUYNOIDTMWFSKW-ZIAGYGMSSA-N 0 3 365.909 2.580 50 0 FFAAHN C[C@@H](C(=O)NCCN1CCCC[C@@H]1C)N1c2ccccc2CCCC1=O ZINC000106405519 222385932 /nfs/dbraw/zinc/38/59/32/222385932.db2.gz GYDDIDNKWJGAID-IRXDYDNUSA-N 0 3 357.498 2.735 50 0 FFAAHN O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CN1CCc2ccccc2C1 ZINC000019771367 263376578 /nfs/dbraw/zinc/37/65/78/263376578.db2.gz NNIZZFZOVHEFQF-JOCHJYFZSA-N 0 3 368.452 2.738 50 0 FFAAHN Cc1ccc(C)c([C@@H](NC(=O)CCN2CCN(C)CC2)c2cccnc2)c1 ZINC000299762377 533710915 /nfs/dbraw/zinc/71/09/15/533710915.db2.gz USQGHLUUBJOTQR-QFIPXVFZSA-N 0 3 366.509 2.542 50 0 FFAAHN O=C(NCc1ccccn1)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1 ZINC000065312149 506285539 /nfs/dbraw/zinc/28/55/39/506285539.db2.gz HRZVATGZJXZEKF-FQEVSTJZSA-N 0 3 373.460 2.558 50 0 FFAAHN CN1CCN(CCCNC(=O)Cc2ccc(F)cc2)[C@@H](c2ccccc2)C1 ZINC000033135259 506340560 /nfs/dbraw/zinc/34/05/60/506340560.db2.gz PJYWVSSVOSCKMI-OAQYLSRUSA-N 0 3 369.484 2.863 50 0 FFAAHN Cc1onc(-c2cccc(Br)c2)c1C(=O)NCCN(C)C ZINC000035510278 506385546 /nfs/dbraw/zinc/38/55/46/506385546.db2.gz NCTLHCOOBXPKPP-UHFFFAOYSA-N 0 3 352.232 2.704 50 0 FFAAHN Cn1nc2nc(NCCN3CCCCC3)nc(-c3ccccc3F)c2c1N ZINC000037358343 506424757 /nfs/dbraw/zinc/42/47/57/506424757.db2.gz KEXNTUVUBWFJDO-UHFFFAOYSA-N 0 3 369.448 2.649 50 0 FFAAHN CN(C)Cc1ccccc1CNC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000008327052 506643294 /nfs/dbraw/zinc/64/32/94/506643294.db2.gz KUTKPEVRKVFEFE-SFHVURJKSA-N 0 3 369.490 2.868 50 0 FFAAHN COc1cn(-c2ccccc2)nc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000008943046 506674458 /nfs/dbraw/zinc/67/44/58/506674458.db2.gz PQQPKVGPXBLUNV-GOSISDBHSA-N 0 3 364.449 2.914 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)COCc1cc(-c2ccc(F)cc2)on1 ZINC000009436350 506697772 /nfs/dbraw/zinc/69/77/72/506697772.db2.gz HLDXJNCTXUKTLM-KRWDZBQOSA-N 0 3 361.417 2.598 50 0 FFAAHN CN(C)[C@@H](CNC(=O)C(=O)Nc1nccs1)c1cccc2ccccc21 ZINC000010333822 506739049 /nfs/dbraw/zinc/73/90/49/506739049.db2.gz ZWHQUWQHSSRECE-INIZCTEOSA-N 0 3 368.462 2.654 50 0 FFAAHN O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CNCc1cccc(F)c1 ZINC000011838336 506797019 /nfs/dbraw/zinc/79/70/19/506797019.db2.gz HNWZSJGCQXLXLH-FQEVSTJZSA-N 0 3 360.404 2.608 50 0 FFAAHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000012023491 506809467 /nfs/dbraw/zinc/80/94/67/506809467.db2.gz VVWOEYSOQSNFRR-OAQYLSRUSA-N 0 3 374.431 2.950 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)C2=CCCC2)CC1 ZINC000012090586 506816036 /nfs/dbraw/zinc/81/60/36/506816036.db2.gz CIQFSWHJXGRXII-IBGZPJMESA-N 0 3 361.530 2.716 50 0 FFAAHN Cc1n[nH]cc1C1CCN(C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000375394769 512302115 /nfs/dbraw/zinc/30/21/15/512302115.db2.gz VMYALKDAUGUIMK-MRXNPFEDSA-N 0 3 354.454 2.819 50 0 FFAAHN C[C@@H](C(=O)N(C)c1ccccc1)N1CCC(c2n[nH]c(C3CC3)n2)CC1 ZINC000067379260 506852855 /nfs/dbraw/zinc/85/28/55/506852855.db2.gz DABIFKYINYKMFA-AWEZNQCLSA-N 0 3 353.470 2.913 50 0 FFAAHN C[C@@H](C(=O)N(C)c1ccccc1)N1CCC(c2nc(C3CC3)n[nH]2)CC1 ZINC000067379260 506852860 /nfs/dbraw/zinc/85/28/60/506852860.db2.gz DABIFKYINYKMFA-AWEZNQCLSA-N 0 3 353.470 2.913 50 0 FFAAHN Cn1cc(CN(CCO)CCO)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012387654 506858080 /nfs/dbraw/zinc/85/80/80/506858080.db2.gz LXAQHTZIONJJBT-UHFFFAOYSA-N 0 3 367.449 2.666 50 0 FFAAHN C[C@H](CNC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)N1CCCCC1 ZINC000058393703 507413122 /nfs/dbraw/zinc/41/31/22/507413122.db2.gz PFNDTIWVYYMEHU-IAGOWNOFSA-N 0 3 362.493 2.826 50 0 FFAAHN CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000025421105 507498685 /nfs/dbraw/zinc/49/86/85/507498685.db2.gz RDZHFKVNWUJSMJ-AEFFLSMTSA-N 0 3 373.522 2.922 50 0 FFAAHN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000025421102 507498738 /nfs/dbraw/zinc/49/87/38/507498738.db2.gz RDZHFKVNWUJSMJ-SJLPKXTDSA-N 0 3 373.522 2.922 50 0 FFAAHN Cc1nn(C)c(C)c1CNCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000069833363 507571105 /nfs/dbraw/zinc/57/11/05/507571105.db2.gz DUCVTRWQUMVPAT-HOTGVXAUSA-N 0 3 356.514 2.936 50 0 FFAAHN COc1ccc(CN2CC[C@H](n3nc(C)cc3C)C2)cc1Cn1cncn1 ZINC000072128473 507753626 /nfs/dbraw/zinc/75/36/26/507753626.db2.gz IKFXVVPAVWPWJG-IBGZPJMESA-N 0 3 366.469 2.595 50 0 FFAAHN Cc1nc([C@@H]2CCC[N@H+](Cc3ccccc3Cn3cccn3)C2)cc(=O)[n-]1 ZINC000072143701 507756196 /nfs/dbraw/zinc/75/61/96/507756196.db2.gz HFAPBXIDSYPGCM-LJQANCHMSA-N 0 3 363.465 2.703 50 0 FFAAHN Cc1nc([C@@H]2CCC[N@@H+](Cc3ccccc3Cn3cccn3)C2)cc(=O)[n-]1 ZINC000072143701 507756203 /nfs/dbraw/zinc/75/62/03/507756203.db2.gz HFAPBXIDSYPGCM-LJQANCHMSA-N 0 3 363.465 2.703 50 0 FFAAHN CCCN1CC[C@H]2N(C(=O)c3cc(C)n(CC)c3C)CCC[C@]2(CO)C1 ZINC000072149647 507760585 /nfs/dbraw/zinc/76/05/85/507760585.db2.gz YUSNOOLEDBMCEY-TZIWHRDSSA-N 0 3 361.530 2.824 50 0 FFAAHN COc1ncc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072157998 507764238 /nfs/dbraw/zinc/76/42/38/507764238.db2.gz PUUJEJDDDJETBH-VAMGGRTRSA-N 0 3 368.456 2.687 50 0 FFAAHN CCS(=O)(=O)N1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2 ZINC000072162867 507765410 /nfs/dbraw/zinc/76/54/10/507765410.db2.gz HARHOZVQWQPASR-LJQANCHMSA-N 0 3 350.528 2.757 50 0 FFAAHN CC(C)[C@@H]1CN(C(=O)CCn2cncn2)CCCN1Cc1ccc(F)cc1 ZINC000072162681 507765475 /nfs/dbraw/zinc/76/54/75/507765475.db2.gz OHMKQWHZSXRFKW-IBGZPJMESA-N 0 3 373.476 2.566 50 0 FFAAHN Cc1ccccc1-n1cc(CN(C)Cc2cc3n(n2)CCCNC3)cn1 ZINC000072168085 507767816 /nfs/dbraw/zinc/76/78/16/507767816.db2.gz QZLXCGJSXFKZPU-UHFFFAOYSA-N 0 3 350.470 2.503 50 0 FFAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1ccc(C)o1)C2 ZINC000072172744 507770108 /nfs/dbraw/zinc/77/01/08/507770108.db2.gz HIMSWWRZHXGDKH-SBHAEUEKSA-N 0 3 362.514 2.927 50 0 FFAAHN Cc1cc(NCCNCc2cnc(-c3ccccc3)s2)n2ncnc2n1 ZINC000072294575 507772555 /nfs/dbraw/zinc/77/25/55/507772555.db2.gz ICUZNIZEKNNLML-UHFFFAOYSA-N 0 3 365.466 2.758 50 0 FFAAHN c1csc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000072410527 507785834 /nfs/dbraw/zinc/78/58/34/507785834.db2.gz CYZSOFOFICIRHV-CWFSZBLJSA-N 0 3 369.490 2.934 50 0 FFAAHN CCOc1cc(CN2CCC([NH+]3CCC(O)CC3)CC2)cc(Cl)c1[O-] ZINC000072420970 507787006 /nfs/dbraw/zinc/78/70/06/507787006.db2.gz VBNOEMKZZDYGRP-UHFFFAOYSA-N 0 3 368.905 2.865 50 0 FFAAHN CCN(Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)C[C@H]1CCCO1 ZINC000072432578 507790594 /nfs/dbraw/zinc/79/05/94/507790594.db2.gz RYZUOEHCLOFORS-QGZVFWFLSA-N 0 3 357.454 2.859 50 0 FFAAHN COc1coc(C(=O)N(C)CC2(N3CCCCC3)CCCCC2)cc1=O ZINC000072478396 507796690 /nfs/dbraw/zinc/79/66/90/507796690.db2.gz XXXYIEBUYSVXDX-UHFFFAOYSA-N 0 3 362.470 2.909 50 0 FFAAHN C[C@@H](C1CCN(C(=O)c2cnc3ccccc3c2)CC1)N1CCOCC1 ZINC000072479084 507797203 /nfs/dbraw/zinc/79/72/03/507797203.db2.gz BQDWFGZNQIXOFG-INIZCTEOSA-N 0 3 353.466 2.808 50 0 FFAAHN CN(C)CCn1nnc2cc(C(=O)NCc3ccccc3Cl)ccc21 ZINC000064761155 507808529 /nfs/dbraw/zinc/80/85/29/507808529.db2.gz HBEKHMVVMQYTDI-UHFFFAOYSA-N 0 3 357.845 2.576 50 0 FFAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000079057386 507929031 /nfs/dbraw/zinc/92/90/31/507929031.db2.gz VTFFHMHWHJTJQO-WBMJQRKESA-N 0 3 356.445 2.983 50 0 FFAAHN Cc1ccc(Cl)c(CN2CCN(C)[C@@]3(C2)CCC(=O)N(C)CC3)c1F ZINC000091973672 508028839 /nfs/dbraw/zinc/02/88/39/508028839.db2.gz PZHUCKXEFMYQHO-IBGZPJMESA-N 0 3 367.896 2.916 50 0 FFAAHN CSCCCN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 ZINC000091987052 508030160 /nfs/dbraw/zinc/03/01/60/508030160.db2.gz ZILNFEYGGKAQAP-UHFFFAOYSA-N 0 3 362.543 2.639 50 0 FFAAHN Cc1nnc(SCCNC(=O)C2CCN(Cc3ccco3)CC2)s1 ZINC000095354734 508174536 /nfs/dbraw/zinc/17/45/36/508174536.db2.gz LDCGZMZKGVGEOF-UHFFFAOYSA-N 0 3 366.512 2.560 50 0 FFAAHN Cc1ccc(CN2CCC[C@@H](c3nnc(Cn4ccnc4C)n3C)C2)o1 ZINC000095361522 508176232 /nfs/dbraw/zinc/17/62/32/508176232.db2.gz XMBWWFBFMMKSEL-MRXNPFEDSA-N 0 3 354.458 2.649 50 0 FFAAHN CN1CCC(Cc2noc(CCc3nc(-c4ccccc4)no3)n2)CC1 ZINC000095361097 508176309 /nfs/dbraw/zinc/17/63/09/508176309.db2.gz XNFVHGLIBJKIET-UHFFFAOYSA-N 0 3 353.426 2.789 50 0 FFAAHN COc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)cc1F ZINC000095378297 508180865 /nfs/dbraw/zinc/18/08/65/508180865.db2.gz UDKVPOLIIHMJDA-MRXNPFEDSA-N 0 3 374.460 2.612 50 0 FFAAHN Cc1cc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)ncn1 ZINC000095391632 508183930 /nfs/dbraw/zinc/18/39/30/508183930.db2.gz AMGOXLMJGQEKQL-ZLGUVYLKSA-N 0 3 364.449 2.580 50 0 FFAAHN CS[C@@H]1CN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C[C@@H]1N(C)C ZINC000095444664 508185873 /nfs/dbraw/zinc/18/58/73/508185873.db2.gz UVZZRJXSFROBHE-JKSUJKDBSA-N 0 3 364.902 2.643 50 0 FFAAHN CC(C)n1ccnc1[C@H]1CCCN(C(=O)CSCCN2CCCC2)C1 ZINC000095501665 508190611 /nfs/dbraw/zinc/19/06/11/508190611.db2.gz NWVRAJAVWRBXBT-KRWDZBQOSA-N 0 3 364.559 2.999 50 0 FFAAHN CCCN1CCc2nc[nH]c2C12CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000095506988 508192182 /nfs/dbraw/zinc/19/21/82/508192182.db2.gz NKVUXXOFAMRZDA-UHFFFAOYSA-N 0 3 368.481 2.898 50 0 FFAAHN COc1ccc2c(c1)OC[C@]1(CO)CN(CCOc3ccc(F)cc3)C[C@H]21 ZINC000095520315 508194745 /nfs/dbraw/zinc/19/47/45/508194745.db2.gz QFRUVAVAXZMCMS-TZIWHRDSSA-N 0 3 373.424 2.684 50 0 FFAAHN O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095522368 508194861 /nfs/dbraw/zinc/19/48/61/508194861.db2.gz LHERMBBXEXYOBS-INIZCTEOSA-N 0 3 356.422 2.579 50 0 FFAAHN CCOc1ccccc1C(=O)N1CCC[C@@H](c2nccn2CCN(C)C)C1 ZINC000095528148 508196484 /nfs/dbraw/zinc/19/64/84/508196484.db2.gz QTVDKDYDIXYBNL-QGZVFWFLSA-N 0 3 370.497 2.863 50 0 FFAAHN Fc1ccc(-c2nnc3n2C[C@@H](NCc2cccc4nccn42)CC3)cc1 ZINC000096002607 508202585 /nfs/dbraw/zinc/20/25/85/508202585.db2.gz FDIZZUUYUZTUOB-INIZCTEOSA-N 0 3 362.412 2.837 50 0 FFAAHN O=c1occ(CN2CCc3ccccc3C2)c([O-])c1C[NH+]1CCCCC1 ZINC000100796824 508240177 /nfs/dbraw/zinc/24/01/77/508240177.db2.gz SYBRTWPIFGVYOZ-UHFFFAOYSA-N 0 3 354.450 2.890 50 0 biogenic FFAAHN O=C(CCc1cc(Cl)no1)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000077340095 508301990 /nfs/dbraw/zinc/30/19/90/508301990.db2.gz SMJTZKOVNRZQEK-UHFFFAOYSA-N 0 3 373.884 2.962 50 0 FFAAHN Cc1cc(C)c2nc(C)cc(C(=O)NCCN3CCCC[C@H]3CO)c2c1 ZINC000077339134 508302124 /nfs/dbraw/zinc/30/21/24/508302124.db2.gz ZNLNQEHKZHXHBG-KRWDZBQOSA-N 0 3 355.482 2.737 50 0 FFAAHN CCOC(=O)N1CCC(N2C[C@@H](c3ccc(C)cc3)[C@H](NC(C)=O)C2)CC1 ZINC000077380087 508308493 /nfs/dbraw/zinc/30/84/93/508308493.db2.gz BAAFVJUCVRJDHX-VQTJNVASSA-N 0 3 373.497 2.520 50 0 FFAAHN O=c1c2c(ncn1CCCN1Cc3ccccc3C1)sc1c2CCNC1 ZINC000077437628 508315438 /nfs/dbraw/zinc/31/54/38/508315438.db2.gz SNNWWWCPUWZEMJ-UHFFFAOYSA-N 0 3 366.490 2.510 50 0 FFAAHN Cc1nnc(CCC(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)[n-]1 ZINC000077438772 508315651 /nfs/dbraw/zinc/31/56/51/508315651.db2.gz XUCWWLIACGDNGU-SFHVURJKSA-N 0 3 355.486 2.861 50 0 FFAAHN CCCc1cc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)no1 ZINC000077487461 508322631 /nfs/dbraw/zinc/32/26/31/508322631.db2.gz FJVALLJTTSLGEY-UHFFFAOYSA-N 0 3 353.466 2.942 50 0 FFAAHN COc1ccc2[nH]nc(CN3CCCC[C@@H]3CCN3CCCC3=O)c2c1 ZINC000077521277 508327339 /nfs/dbraw/zinc/32/73/39/508327339.db2.gz VBWZZNVSPYZWLE-OAHLLOKOSA-N 0 3 356.470 2.939 50 0 FFAAHN COc1ccc2n[nH]c(CN3CCCC[C@@H]3CCN3CCCC3=O)c2c1 ZINC000077521277 508327341 /nfs/dbraw/zinc/32/73/41/508327341.db2.gz VBWZZNVSPYZWLE-OAHLLOKOSA-N 0 3 356.470 2.939 50 0 FFAAHN CC1CCC(N2CCN(C(=O)C[C@@H]3c4ccccc4NC3=O)CC2)CC1 ZINC000115255103 508378459 /nfs/dbraw/zinc/37/84/59/508378459.db2.gz WGAUVTLEQPLPJX-LEOMRAHMSA-N 0 3 355.482 2.835 50 0 FFAAHN Fc1ccc(-c2nc(CN3CC[C@@H](CN4CCOCC4)C3)co2)cc1F ZINC000129168663 508692912 /nfs/dbraw/zinc/69/29/12/508692912.db2.gz OZJBTWIPGWVIEH-AWEZNQCLSA-N 0 3 363.408 2.774 50 0 FFAAHN O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H]1CCCOC1 ZINC000136693004 508709706 /nfs/dbraw/zinc/70/97/06/508709706.db2.gz RZKGWPLZHWLCDO-HNNXBMFYSA-N 0 3 366.889 2.726 50 0 FFAAHN O=C(Cn1cc(-c2ccccc2)nn1)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000129365875 508718686 /nfs/dbraw/zinc/71/86/86/508718686.db2.gz GDKZOKQQNNFHMO-LJQANCHMSA-N 0 3 373.460 2.956 50 0 FFAAHN Cc1cccc(CS(=O)(=O)NCC2CCN([C@@H]3CCSC3)CC2)c1 ZINC000225572466 509377662 /nfs/dbraw/zinc/37/76/62/509377662.db2.gz VFSIHRRPUDZFDL-GOSISDBHSA-N 0 3 368.568 2.632 50 0 FFAAHN O=C(NCC1CCN([C@@H]2CCSC2)CC1)c1cc(=O)c2ccccc2o1 ZINC000225570352 509377694 /nfs/dbraw/zinc/37/76/94/509377694.db2.gz XHEQXEHUPWKVFC-OAHLLOKOSA-N 0 3 372.490 2.740 50 0 FFAAHN Cc1nc2c([nH]1)C[C@H](C(=O)NC1CCN(Cc3ccccc3)CC1)CC2 ZINC000163977386 509448534 /nfs/dbraw/zinc/44/85/34/509448534.db2.gz DGUHJSAGUQKNPK-QGZVFWFLSA-N 0 3 352.482 2.604 50 0 FFAAHN Cc1nc2c([nH]1)CC[C@@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C2 ZINC000163977386 509448542 /nfs/dbraw/zinc/44/85/42/509448542.db2.gz DGUHJSAGUQKNPK-QGZVFWFLSA-N 0 3 352.482 2.604 50 0 FFAAHN C[C@@H](CC(=O)Nc1ccccc1)N1CCCN(C(=O)c2ccoc2)CC1 ZINC000170591807 509674195 /nfs/dbraw/zinc/67/41/95/509674195.db2.gz YKNCWUJLDAIUTE-INIZCTEOSA-N 0 3 355.438 2.845 50 0 FFAAHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1cccc(C(C)C)c1 ZINC000170598329 509676432 /nfs/dbraw/zinc/67/64/32/509676432.db2.gz FPFJJVFXPUXTGQ-UHFFFAOYSA-N 0 3 365.499 2.953 50 0 FFAAHN COc1ccc([C@H](CNC(=O)[C@@H]2CCCN2C2CC2)N2CCCC2)cc1 ZINC000170615861 509681402 /nfs/dbraw/zinc/68/14/02/509681402.db2.gz SHONEQSPXYKUKV-PMACEKPBSA-N 0 3 357.498 2.575 50 0 FFAAHN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000252477405 509838764 /nfs/dbraw/zinc/83/87/64/509838764.db2.gz NGFYISOJHIRCQV-UAGQMJEPSA-N 0 3 366.889 2.555 50 0 FFAAHN Cc1cc(C)cc(C2(CNC(=O)C[C@H]3CN(C)CCN3C)CCCC2)c1 ZINC000244724498 509867394 /nfs/dbraw/zinc/86/73/94/509867394.db2.gz MVGOYRBNESMMAQ-FQEVSTJZSA-N 0 3 357.542 2.867 50 0 FFAAHN Cc1ccccc1CN1CCC(NC(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000183628910 509894775 /nfs/dbraw/zinc/89/47/75/509894775.db2.gz OHANETZBMZQDTK-UHFFFAOYSA-N 0 3 363.465 2.671 50 0 FFAAHN Cc1ccc(CNC(=O)[C@@H](C)N2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000171644341 510272700 /nfs/dbraw/zinc/27/27/00/510272700.db2.gz IAXLKALBVPYNIM-IEBWSBKVSA-N 0 3 352.482 2.829 50 0 FFAAHN CSCCN1CCC(NC(=O)c2cccc(-c3cccc(N)n3)c2)CC1 ZINC000426370440 513917021 /nfs/dbraw/zinc/91/70/21/513917021.db2.gz IMGKASQZSNGNQG-UHFFFAOYSA-N 0 3 370.522 2.888 50 0 FFAAHN CCCN1CCCN(C(=O)NCc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000426465243 513947437 /nfs/dbraw/zinc/94/74/37/513947437.db2.gz OAINARYFRDJTAF-UHFFFAOYSA-N 0 3 359.449 2.843 50 0 FFAAHN CCC[C@H](NC(=O)N1CCN(C)C2(CCN(C)CC2)C1)c1ccccc1 ZINC000426470810 513948820 /nfs/dbraw/zinc/94/88/20/513948820.db2.gz LUCLSESLSNULDO-IBGZPJMESA-N 0 3 358.530 2.949 50 0 FFAAHN O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(-c2cccc(F)c2[O-])cc1 ZINC000426504158 513962954 /nfs/dbraw/zinc/96/29/54/513962954.db2.gz YDNNUORGGJUXFI-QGZVFWFLSA-N 0 3 372.440 2.775 50 0 FFAAHN CN(C)c1cccc(-c2ccc(C(=O)NC3CCN(CCO)CC3)cc2)c1 ZINC000426612863 513994445 /nfs/dbraw/zinc/99/44/45/513994445.db2.gz OKSDNLUAFPMMSY-UHFFFAOYSA-N 0 3 367.493 2.606 50 0 FFAAHN Cc1ccc(CN(CCN(C)C)C(=O)Nc2cccc3nn(C)nc32)s1 ZINC000426635601 514001902 /nfs/dbraw/zinc/00/19/02/514001902.db2.gz WDCKIAOIQBBHFC-UHFFFAOYSA-N 0 3 372.498 2.934 50 0 FFAAHN CCN1CCCC[C@@H]1CNC(=O)N1CCC(OCc2cccnc2)CC1 ZINC000426701364 514018771 /nfs/dbraw/zinc/01/87/71/514018771.db2.gz GGKABIVGOWHYCI-GOSISDBHSA-N 0 3 360.502 2.647 50 0 FFAAHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NCc2cccc3cc[nH]c32)C1 ZINC000551984965 517007749 /nfs/dbraw/zinc/00/77/49/517007749.db2.gz RRLJAKQPDLPVQM-ROUUACIJSA-N 0 3 356.470 2.563 50 0 FFAAHN Cc1ccc2[nH]c(CCNC(=O)N3CC(N4CCCC[C@@H]4C)C3)nc2c1 ZINC000534676291 517996706 /nfs/dbraw/zinc/99/67/06/517996706.db2.gz XFVDOTVPMMZONI-HNNXBMFYSA-N 0 3 355.486 2.682 50 0 FFAAHN Cc1ccc2nc(CCNC(=O)N3CC(N4CCCC[C@@H]4C)C3)[nH]c2c1 ZINC000534676291 517996711 /nfs/dbraw/zinc/99/67/11/517996711.db2.gz XFVDOTVPMMZONI-HNNXBMFYSA-N 0 3 355.486 2.682 50 0 FFAAHN CC(=O)N1CCc2cc(C(=O)CN3CCN(C4CCCCC4)CC3)ccc21 ZINC000020287163 519630531 /nfs/dbraw/zinc/63/05/31/519630531.db2.gz IDMZBIAMAFJPSG-UHFFFAOYSA-N 0 3 369.509 2.729 50 0 FFAAHN CC(C)CCN1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@@H]1CCO ZINC000020600873 519653516 /nfs/dbraw/zinc/65/35/16/519653516.db2.gz TUOBRUJZIDNDKD-FQEVSTJZSA-N 0 3 356.514 2.991 50 0 FFAAHN COc1ccc(C(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)cc1F ZINC000082109169 523713517 /nfs/dbraw/zinc/71/35/17/523713517.db2.gz GYQDJARBRFIBPX-UHFFFAOYSA-N 0 3 374.460 2.823 50 0 FFAAHN O=C(c1cccnc1)[C@H]1CCCN(Cc2ccc3c(c2)CNCCO3)C1 ZINC000299773312 534755000 /nfs/dbraw/zinc/75/50/00/534755000.db2.gz DIBWOWYLEFJKIB-SFHVURJKSA-N 0 3 351.450 2.659 50 0 FFAAHN Cc1c(CN2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)cnn1C ZINC000091645525 525704448 /nfs/dbraw/zinc/70/44/48/525704448.db2.gz CTIDKZDWXGJEMF-NRFANRHFSA-N 0 3 367.497 2.528 50 0 FFAAHN Cc1noc(C)c1CCC(=O)N[C@H]1CCCN(Cc2cccnc2)CC1 ZINC000082108571 526487837 /nfs/dbraw/zinc/48/78/37/526487837.db2.gz RJZJSFVPPJZXKL-SFHVURJKSA-N 0 3 356.470 2.790 50 0 FFAAHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1cccc(F)c1 ZINC000020101025 527020101 /nfs/dbraw/zinc/02/01/01/527020101.db2.gz SLBGARYKNXLZCE-GOSISDBHSA-N 0 3 351.381 2.771 50 0 FFAAHN Nc1nc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cs1 ZINC000091575051 527550787 /nfs/dbraw/zinc/55/07/87/527550787.db2.gz AOPNZPXORAZJNH-FUHWJXTLSA-N 0 3 370.522 2.781 50 0 FFAAHN COC(=O)c1c(C)sc2c1nc(N1CCNCC1)cc2C(F)(F)F ZINC000004324173 536854056 /nfs/dbraw/zinc/85/40/56/536854056.db2.gz QTDBJXMOGRLWEC-UHFFFAOYSA-N 0 3 359.373 2.820 50 0 FFAAHN CCC(=O)Nc1ccc(C)c(NC(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000072312886 538546273 /nfs/dbraw/zinc/54/62/73/538546273.db2.gz MUOTZHVFPIKCRP-GOSISDBHSA-N 0 3 364.515 2.902 50 0 FFAAHN O=C(CCNc1ncccn1)NCc1ccccc1CN1CCCCC1 ZINC000045876382 570913051 /nfs/dbraw/zinc/91/30/51/570913051.db2.gz CVGSJMYQTYTNGT-UHFFFAOYSA-N 0 3 353.470 2.581 50 0 FFAAHN Cn1cc(CCC(=O)N(CCc2ccccc2)CC2CCN(C)CC2)cn1 ZINC000014957406 571055367 /nfs/dbraw/zinc/05/53/67/571055367.db2.gz UJNDXRCJURTTJD-UHFFFAOYSA-N 0 3 368.525 2.766 50 0 FFAAHN Cc1ccc(N2C(=O)C3[C@@H](C2=O)N3c2ccccc2)c(Br)c1 ZINC000100708486 728485223 /nfs/dbraw/zinc/48/52/23/728485223.db2.gz BUOKYJJNWJKBRT-GJZGRUSLSA-N 0 3 357.207 2.888 50 0 FFAAHN Cc1cc(CN2CCC(N3CCNC3=O)CC2)cc(C)c1OC(F)F ZINC000127606147 728706825 /nfs/dbraw/zinc/70/68/25/728706825.db2.gz NSNSOJGTVIGVDO-UHFFFAOYSA-N 0 3 353.413 2.894 50 0 FFAAHN C[C@H](CCC(=O)Nc1cc(Cl)ccc1N(C)C)N1CCN(C)CC1 ZINC000952978429 740472294 /nfs/dbraw/zinc/47/22/94/740472294.db2.gz CGQUPRCDAQUEKF-CQSZACIVSA-N 0 3 352.910 2.761 50 0 FFAAHN C[C@@H]1CN(C2CCN(C(=O)Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000077523958 845584577 /nfs/dbraw/zinc/58/45/77/845584577.db2.gz VQQJGOQZHMLXSS-GASCZTMLSA-N 0 3 350.890 2.983 50 0 FFAAHN CN(CCc1ccccc1)Cc1cc2n(n1)CCCN(C[C@H]1CCOC1)C2 ZINC000257372230 971344091 /nfs/dbraw/zinc/34/40/91/971344091.db2.gz LTXRBEKFEVCBRE-HXUWFJFHSA-N 0 3 368.525 2.800 50 0 FFAAHN COc1ccc(-c2nc(CN3CC[C@@H](CN4CCOCC4)C3)co2)cc1 ZINC000129545473 1013303849 /nfs/dbraw/zinc/30/38/49/1013303849.db2.gz QATAQRFVISBJDZ-INIZCTEOSA-N 0 3 357.454 2.504 50 0 FFAAHN CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[n-]c(=O)c2C3)cc1OC ZINC000019533689 967960474 /nfs/dbraw/zinc/96/04/74/967960474.db2.gz QUMSHCDLXSECGA-CVEARBPZSA-N 0 3 369.465 2.617 50 0 FFAAHN CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[n-]c(=O)c2C3)cc1OC ZINC000019533689 967960480 /nfs/dbraw/zinc/96/04/80/967960480.db2.gz QUMSHCDLXSECGA-CVEARBPZSA-N 0 3 369.465 2.617 50 0 FFAAHN Cc1c[nH]c(CNC2CCN(c3cccc(N4CCCC4=O)c3)CC2)n1 ZINC000023542419 969437595 /nfs/dbraw/zinc/43/75/95/969437595.db2.gz WWWNMISQJUPKSR-UHFFFAOYSA-N 0 3 353.470 2.604 50 0 FFAAHN CCOc1ccccc1CN1CCC2(CN(C(C)=O)C[C@H]2COC)CC1 ZINC000169782732 984967894 /nfs/dbraw/zinc/96/78/94/984967894.db2.gz ILSVDDHDGUPNBH-IBGZPJMESA-N 0 3 360.498 2.792 50 0 FFAAHN O=C1OCCN1c1cccc2c1CCN(C[C@@H](O)Cc1ccccc1)C2 ZINC000173701896 985956996 /nfs/dbraw/zinc/95/69/96/985956996.db2.gz LAKBRUHTPIDBEQ-SFHVURJKSA-N 0 3 352.434 2.605 50 0 FFAAHN Cc1cc(CN2CCC3(CC2)CN(CCc2cccc(C)n2)CCO3)on1 ZINC000825297080 999307456 /nfs/dbraw/zinc/30/74/56/999307456.db2.gz XYZSJKWISRLHIL-UHFFFAOYSA-N 0 3 370.497 2.596 50 0 FFAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ccc(C)cn1)C2 ZINC000095362751 1028552238 /nfs/dbraw/zinc/55/22/38/1028552238.db2.gz HQCLEVLNNRAGMD-SBHAEUEKSA-N 0 3 359.514 2.734 50 0 FFAAHN COc1cc(OC)cc(C(=O)N2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000001456779 219407236 /nfs/dbraw/zinc/40/72/36/219407236.db2.gz ZDCVRJCVAWTNFG-SOLBZPMBSA-N 0 3 356.466 2.674 50 0 FFAAHN Cc1cc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)c(C)n1C ZINC000299764160 223086292 /nfs/dbraw/zinc/08/62/92/223086292.db2.gz XCSRJWJWCGPBNU-UHFFFAOYSA-N 0 3 351.494 2.957 50 0 FFAAHN O=C(NCCc1nc2ccc(F)cc2[nH]1)[C@@H](c1cccnc1)N1CCCC1 ZINC000299787943 223097249 /nfs/dbraw/zinc/09/72/49/223097249.db2.gz ZCGHKHYAWMQDRH-LJQANCHMSA-N 0 3 367.428 2.593 50 0 FFAAHN COCCN1CCC[C@H](CNC(=O)c2cccc(-c3ccc[nH]c3=O)c2)C1 ZINC000299783103 223095652 /nfs/dbraw/zinc/09/56/52/223095652.db2.gz FDCCVSDYNFJKKI-MRXNPFEDSA-N 0 3 369.465 2.542 50 0 FFAAHN Cc1ccc([C@@H](NC(=O)CCN2CCN(C)CC2)c2cccnc2)c(C)c1 ZINC000299790942 223098759 /nfs/dbraw/zinc/09/87/59/223098759.db2.gz DKXDXFIZONVKBJ-QFIPXVFZSA-N 0 3 366.509 2.542 50 0 FFAAHN Cc1ccccc1OC1CCN(C[C@@]2(O)CCCN(CC3CC3)C2=O)CC1 ZINC000012702458 220018580 /nfs/dbraw/zinc/01/85/80/220018580.db2.gz AEVHIWAZXMEOBM-QFIPXVFZSA-N 0 3 372.509 2.602 50 0 FFAAHN FC(F)(F)c1nnc2ccc(N[C@H]3CCN(Cc4ccccc4)C3)nn21 ZINC000012866508 220036753 /nfs/dbraw/zinc/03/67/53/220036753.db2.gz SROWBXUMIAWXNU-ZDUSSCGKSA-N 0 3 362.359 2.830 50 0 FFAAHN CCc1ccc([C@@H](CNC(=O)c2n[nH]c(=O)c3ccccc32)N(C)C)cc1 ZINC000014072580 220104454 /nfs/dbraw/zinc/10/44/54/220104454.db2.gz FPQMMESNZOFAST-GOSISDBHSA-N 0 3 364.449 2.518 50 0 FFAAHN CN(Cc1ccccc1)C1(C(=O)N2CCC[C@H]2CO)Cc2ccccc2C1 ZINC000015074484 220146135 /nfs/dbraw/zinc/14/61/35/220146135.db2.gz FQEPIKCBOJFGBA-NRFANRHFSA-N 0 3 364.489 2.639 50 0 FFAAHN CCN1CCC(NC(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000016603092 220188101 /nfs/dbraw/zinc/18/81/01/220188101.db2.gz GUOOJMLYAWUPEL-LBPRGKRZSA-N 0 3 355.276 2.817 50 0 FFAAHN Cc1ccc2nc(CN(C)[C@H](C)c3ccc(-n4cncn4)cc3)cc(=O)n2c1 ZINC000017306010 220214175 /nfs/dbraw/zinc/21/41/75/220214175.db2.gz LSZVIIBEPWNWEF-MRXNPFEDSA-N 0 3 374.448 2.777 50 0 FFAAHN CN1CCN(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000019590024 220277128 /nfs/dbraw/zinc/27/71/28/220277128.db2.gz QDHWKZCTLTYUPR-UHFFFAOYSA-N 0 3 353.466 2.842 50 0 aggregator FFAAHN COc1ccc(N2C(=O)C[C@H](NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000019881064 220303319 /nfs/dbraw/zinc/30/33/19/220303319.db2.gz CMDGXOSBMYYFSQ-TYUXRXASSA-N 0 3 354.450 2.886 50 0 FFAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1n[nH]c(=O)c2ccccc21 ZINC000021317098 220356568 /nfs/dbraw/zinc/35/65/68/220356568.db2.gz WSZNCHGAKKZNKA-HNNXBMFYSA-N 0 3 368.462 2.552 50 0 FFAAHN COc1cc(C)c(CN2CCC(n3cc(C[C@H](C)O)nn3)CC2)cc1C ZINC000023619574 220430973 /nfs/dbraw/zinc/43/09/73/220430973.db2.gz TZXLOHDEXMVOEH-INIZCTEOSA-N 0 3 358.486 2.664 50 0 FFAAHN CCOC(=O)Cc1csc(-c2ccc(CN3CCN(C)CC3)cc2)n1 ZINC000049597407 221026115 /nfs/dbraw/zinc/02/61/15/221026115.db2.gz XAEGQJJKDBYPHR-UHFFFAOYSA-N 0 3 359.495 2.663 50 0 FFAAHN CN1CCN(CCCNC(=O)c2ccccc2CCc2ccccc2)CC1 ZINC000053287498 221044350 /nfs/dbraw/zinc/04/43/50/221044350.db2.gz XEZVTMKWJOYSMO-UHFFFAOYSA-N 0 3 365.521 2.839 50 0 FFAAHN Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000058081391 221098690 /nfs/dbraw/zinc/09/86/90/221098690.db2.gz DUPSGSPKPQBJJZ-GOEBONIOSA-N 0 3 360.502 2.939 50 0 FFAAHN C[C@@H]1CN(C)CCCN1C(=O)c1cc(-c2cnn(C)c2)nc2ccccc21 ZINC000063844995 221143688 /nfs/dbraw/zinc/14/36/88/221143688.db2.gz WHZQGVOMOIOJGN-OAHLLOKOSA-N 0 3 363.465 2.802 50 0 FFAAHN CC(C)C[C@@H](NC1CCN(C(=O)c2ccccc2)CC1)c1ncnn1C ZINC000065394615 221209765 /nfs/dbraw/zinc/20/97/65/221209765.db2.gz FWUIZGNZZAUDCE-GOSISDBHSA-N 0 3 355.486 2.797 50 0 FFAAHN COc1nc(C)cc(C)c1CNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000067382613 221253229 /nfs/dbraw/zinc/25/32/29/221253229.db2.gz RZTSQONSLQLOJL-SFHVURJKSA-N 0 3 370.497 2.679 50 0 FFAAHN Cc1ccc2[nH]c(=O)c(CN3CCC[C@@H](C(=O)c4nccn4C)C3)cc2c1 ZINC000067473378 221255729 /nfs/dbraw/zinc/25/57/29/221255729.db2.gz MCKBGHKQUPWNHU-OAHLLOKOSA-N 0 3 364.449 2.665 50 0 FFAAHN CCOc1ccc2[nH]c(=O)c(CN3CCN(c4ccncc4)CC3)cc2c1 ZINC000067559939 221259833 /nfs/dbraw/zinc/25/98/33/221259833.db2.gz IYJXMOZEKOXPEW-UHFFFAOYSA-N 0 3 364.449 2.644 50 0 FFAAHN CCn1c(CC2CCN(C/C(C)=C/c3ccccc3)CC2)nn(C)c1=O ZINC000067691471 221272480 /nfs/dbraw/zinc/27/24/80/221272480.db2.gz VFMXZNFANZBFIK-SAPNQHFASA-N 0 3 354.498 2.960 50 0 FFAAHN CCn1c(=O)n(C)nc1[C@H]1CCCN(Cc2ccc(C)c3ncccc23)C1 ZINC000067713038 221274815 /nfs/dbraw/zinc/27/48/15/221274815.db2.gz XSSRCGQOPAGZHR-KRWDZBQOSA-N 0 3 365.481 2.838 50 0 FFAAHN COCCN1CCC(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000067788173 221285711 /nfs/dbraw/zinc/28/57/11/221285711.db2.gz NEUYZMBIAFDIHI-SFHVURJKSA-N 0 3 366.889 2.598 50 0 FFAAHN CN(Cc1cccc(C(=O)Nc2nccn2C)c1)C1Cc2ccccc2C1 ZINC000067834061 221290795 /nfs/dbraw/zinc/29/07/95/221290795.db2.gz WCKCCNALZWWTRU-UHFFFAOYSA-N 0 3 360.461 2.694 50 0 FFAAHN NC(=O)CCCN1CC=C(c2cnn(C3Cc4ccccc4C3)c2)CC1 ZINC000067955672 221309112 /nfs/dbraw/zinc/30/91/12/221309112.db2.gz WBMBGDQSVISNKY-UHFFFAOYSA-N 0 3 350.466 2.578 50 0 FFAAHN C[C@H](OC[C@@H]1CCCO1)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000069920523 221328188 /nfs/dbraw/zinc/32/81/88/221328188.db2.gz UPTWBXKKHIEQIT-ULQDDVLXSA-N 0 3 366.527 2.660 50 0 FFAAHN O=C(c1nc2ccccn2c1CN1CCC2(CCCC2)C1)N1CCOCC1 ZINC000071730560 221356692 /nfs/dbraw/zinc/35/66/92/221356692.db2.gz QDRCEKMRERJADW-UHFFFAOYSA-N 0 3 368.481 2.573 50 0 FFAAHN Cc1nc([C@@H]2CCCN(Cc3cnn(-c4ccccc4F)c3)C2)cc(=O)[nH]1 ZINC000072126545 221411152 /nfs/dbraw/zinc/41/11/52/221411152.db2.gz HEKOBKUOLKKFNL-MRXNPFEDSA-N 0 3 367.428 2.783 50 0 FFAAHN CCN1CC[C@]2(CN(c3ccc(C(F)(F)F)cn3)CCN2C)CCC1=O ZINC000092045700 132205639 /nfs/dbraw/zinc/20/56/39/132205639.db2.gz RDTRQVAPJVDJNE-KRWDZBQOSA-N 0 3 370.419 2.623 50 0 FFAAHN Cc1ccc2cc(CO)c(N3CCC([C@H](C)N4CCOCC4)CC3)nc2c1 ZINC000095353892 132206760 /nfs/dbraw/zinc/20/67/60/132206760.db2.gz QNPYPFWBIYPKLJ-KRWDZBQOSA-N 0 3 369.509 2.973 50 0 FFAAHN Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)Cc3cccnc3)CC2)c1 ZINC000095352057 132207033 /nfs/dbraw/zinc/20/70/33/132207033.db2.gz IICVIEAXXMLTBO-IBGZPJMESA-N 0 3 366.509 2.650 50 0 FFAAHN CC(=O)c1c[nH]c(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c1 ZINC000048364520 136123573 /nfs/dbraw/zinc/12/35/73/136123573.db2.gz PYVLYKTURJSBDO-UHFFFAOYSA-N 0 3 368.481 2.550 50 0 FFAAHN CC1CCN(c2ccc(CNC(=O)NCCN3CCCCC3)cn2)CC1 ZINC000071925370 136141504 /nfs/dbraw/zinc/14/15/04/136141504.db2.gz LDDJEBZBCWPCQJ-UHFFFAOYSA-N 0 3 359.518 2.603 50 0 FFAAHN COc1ccc2c(c1)CCC[C@H]2NC(=O)CCc1cc2n(n1)CCCNC2 ZINC000072454415 221537149 /nfs/dbraw/zinc/53/71/49/221537149.db2.gz ZIADKEKRFGRSDC-HXUWFJFHSA-N 0 3 368.481 2.511 50 0 FFAAHN Cc1n[nH]c(C)c1CCC(=O)NCCN1CCC(c2ccccc2)CC1 ZINC000096131367 222036883 /nfs/dbraw/zinc/03/68/83/222036883.db2.gz ZBJSBCDGCVGUPH-UHFFFAOYSA-N 0 3 354.498 2.955 50 0 FFAAHN O=C(CCc1[nH]nc2c1CCCC2)NCCN1CC[C@H](c2ccccc2)C1 ZINC000096140749 222044579 /nfs/dbraw/zinc/04/45/79/222044579.db2.gz CPODTARBNWGDHL-SFHVURJKSA-N 0 3 366.509 2.827 50 0 FFAAHN CN1CCC(Cc2nc(-c3ccc(CO)o3)n(Cc3ccccc3)n2)CC1 ZINC000096139682 222044770 /nfs/dbraw/zinc/04/47/70/222044770.db2.gz FOXSFZJNYGRIHW-UHFFFAOYSA-N 0 3 366.465 2.963 50 0 FFAAHN COCCc1nc(-c2c(C)oc3c2C(=O)CCC3)n(C2CCN(C)CC2)n1 ZINC000096165728 222065165 /nfs/dbraw/zinc/06/51/65/222065165.db2.gz GCOIXDDCHWDALG-UHFFFAOYSA-N 0 3 372.469 2.821 50 0 FFAAHN COCc1cccc(C(=O)NCCN2CCC[C@H](c3ccccc3)C2)n1 ZINC000097323898 222174523 /nfs/dbraw/zinc/17/45/23/222174523.db2.gz DHZXYUDRXGTDFF-SFHVURJKSA-N 0 3 353.466 2.837 50 0 FFAAHN COc1cc(CN2CCN(C3CCOCC3)CC2)cc(Cl)c1OC ZINC000097551305 222191429 /nfs/dbraw/zinc/19/14/29/222191429.db2.gz OWPSHFSPUKBPTK-UHFFFAOYSA-N 0 3 354.878 2.654 50 0 FFAAHN CN1CCN([C@@H]2CCN(Cc3nc(-c4ccc(F)cc4)cs3)C2)CC1 ZINC000097610078 222197951 /nfs/dbraw/zinc/19/79/51/222197951.db2.gz OJBNOGNQVGVJCC-QGZVFWFLSA-N 0 3 360.502 2.771 50 0 FFAAHN Fc1ccc(-c2n[nH]cc2CN2CCCO[C@H](CN3CCCC3)C2)cc1 ZINC000097729993 222209297 /nfs/dbraw/zinc/20/92/97/222209297.db2.gz WUILBSGRMDAWPN-LJQANCHMSA-N 0 3 358.461 2.903 50 0 FFAAHN Cc1cc(-c2nn(C)c(Cl)c2CN2CCC[C@@H](c3nc[nH]n3)C2)no1 ZINC000097772745 222211722 /nfs/dbraw/zinc/21/17/22/222211722.db2.gz LVCDXKVCTFMDDX-LLVKDONJSA-N 0 3 361.837 2.535 50 0 FFAAHN CCOc1ccc(CN2CCN(C3CCSCC3)C[C@H]2CCO)cc1 ZINC000104480292 222357215 /nfs/dbraw/zinc/35/72/15/222357215.db2.gz VEVXVDRRMKSWQQ-LJQANCHMSA-N 0 3 364.555 2.850 50 0 FFAAHN C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000107072380 222390183 /nfs/dbraw/zinc/39/01/83/222390183.db2.gz LCHXPRGVEGQBNL-SOLBZPMBSA-N 0 3 369.465 2.567 50 0 FFAAHN COc1ccc(CCN[C@@H](C)C(=O)N2CCc3ccccc32)cc1OC ZINC000003338968 506323202 /nfs/dbraw/zinc/32/32/02/506323202.db2.gz MLROSYJJRYTFLA-HNNXBMFYSA-N 0 3 354.450 2.814 50 0 FFAAHN O=C(NCCCn1ccnc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000035396351 506382497 /nfs/dbraw/zinc/38/24/97/506382497.db2.gz XRFSEBBBWGMDHF-UHFFFAOYSA-N 0 3 360.889 2.955 50 0 FFAAHN Cc1ccc(NC(=O)N2CCC(CC(=O)NCCN3CCCC3)CC2)cc1 ZINC000035529024 506385563 /nfs/dbraw/zinc/38/55/63/506385563.db2.gz GLUGGCBZTOWPEU-UHFFFAOYSA-N 0 3 372.513 2.841 50 0 FFAAHN O=C(NCC1CCN(Cc2ccco2)CC1)c1ccc2nsnc2c1 ZINC000038583901 506440230 /nfs/dbraw/zinc/44/02/30/506440230.db2.gz ZSNCCDXZFWIZMT-UHFFFAOYSA-N 0 3 356.451 2.926 50 0 FFAAHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1cccc(F)c1 ZINC000008215676 506631763 /nfs/dbraw/zinc/63/17/63/506631763.db2.gz SLBGARYKNXLZCE-SFHVURJKSA-N 0 3 351.381 2.771 50 0 FFAAHN CC(C)[C@H](C)NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000008735472 506666244 /nfs/dbraw/zinc/66/62/44/506666244.db2.gz ISMGSZNBSXBXKJ-FZMZJTMJSA-N 0 3 357.376 2.927 50 0 FFAAHN Cc1nc(C(=O)NCc2ccccc2CN(C)C)nn1-c1ccc(F)cc1 ZINC000009917488 506718225 /nfs/dbraw/zinc/71/82/25/506718225.db2.gz WIYYQBXVNXVSHP-UHFFFAOYSA-N 0 3 367.428 2.706 50 0 FFAAHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccncc1)c1cccc2ccccc21 ZINC000010333683 506739475 /nfs/dbraw/zinc/73/94/75/506739475.db2.gz KDRCRGGEIPMHQQ-LJQANCHMSA-N 0 3 362.433 2.592 50 0 FFAAHN Cc1cc(C)n(CC(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)n1 ZINC000011662227 506784729 /nfs/dbraw/zinc/78/47/29/506784729.db2.gz WJROPYLYJCGDAO-HXUWFJFHSA-N 0 3 354.498 2.713 50 0 FFAAHN COc1ccccc1/C=C/CNCc1cccnc1N1CCC[C@H](O)C1 ZINC000011816153 506797612 /nfs/dbraw/zinc/79/76/12/506797612.db2.gz OOFQWQYZZSVSJR-AMGQUURNSA-N 0 3 353.466 2.854 50 0 FFAAHN Cc1ccc(CN(C)C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)o1 ZINC000011933427 506803785 /nfs/dbraw/zinc/80/37/85/506803785.db2.gz JFKWVFXWTRLYGG-FQEVSTJZSA-N 0 3 360.429 2.713 50 0 FFAAHN O=C(NCc1[nH]nc2c1CCC2)C1(N2CCCCC2)Cc2ccccc2C1 ZINC000012317611 506848292 /nfs/dbraw/zinc/84/82/92/506848292.db2.gz FSBOXLGZFPUZED-UHFFFAOYSA-N 0 3 364.493 2.538 50 0 FFAAHN O=C(NCc1n[nH]c2c1CCC2)C1(N2CCCCC2)Cc2ccccc2C1 ZINC000012317611 506848298 /nfs/dbraw/zinc/84/82/98/506848298.db2.gz FSBOXLGZFPUZED-UHFFFAOYSA-N 0 3 364.493 2.538 50 0 FFAAHN Cc1cccnc1CN(C)C[C@@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000012318457 506849873 /nfs/dbraw/zinc/84/98/73/506849873.db2.gz KUNPELAUNUFBLJ-NRFANRHFSA-N 0 3 359.514 2.756 50 0 FFAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000021793614 507266922 /nfs/dbraw/zinc/26/69/22/507266922.db2.gz NDTFESJUEYPAPC-UHFFFAOYSA-N 0 3 357.502 2.614 50 0 FFAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)n1 ZINC000021794969 507268469 /nfs/dbraw/zinc/26/84/69/507268469.db2.gz MNAYHOBSVQIMJB-UHFFFAOYSA-N 0 3 374.876 2.859 50 0 FFAAHN CCN1CCN(C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000022860263 507316242 /nfs/dbraw/zinc/31/62/42/507316242.db2.gz QGZBJBRIMBDZQA-OAQYLSRUSA-N 0 3 354.494 2.791 50 0 FFAAHN O=S(=O)(NCC1CCN(Cc2cccs2)CC1)c1ccccc1 ZINC000023127710 507331944 /nfs/dbraw/zinc/33/19/44/507331944.db2.gz FZQXNPDSFQRSLG-UHFFFAOYSA-N 0 3 350.509 2.939 50 0 FFAAHN CN(C)Cc1ccccc1CNC(=O)NCc1ccccc1CN(C)C ZINC000025044778 507460987 /nfs/dbraw/zinc/46/09/87/507460987.db2.gz PVAUZGFPGIPZBM-UHFFFAOYSA-N 0 3 354.498 2.809 50 0 FFAAHN CCc1n[nH]cc1C(=O)N1C[C@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072128972 507752896 /nfs/dbraw/zinc/75/28/96/507752896.db2.gz AEYKYOKYFWTQAU-HMXCVIKNSA-N 0 3 364.493 2.983 50 0 FFAAHN COc1ccc([C@@H]2CN(c3cc(OC)ncn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072137324 507755054 /nfs/dbraw/zinc/75/50/54/507755054.db2.gz GMAQAOGMIAJVSI-IOMROCGXSA-N 0 3 366.465 2.560 50 0 FFAAHN CCc1noc(CN2C[C@@H](c3cccc(OC)c3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000072137325 507755439 /nfs/dbraw/zinc/75/54/39/507755439.db2.gz MMUZHJVTDARZGM-IOMROCGXSA-N 0 3 368.481 2.703 50 0 FFAAHN Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC[C@H](N(C)CCN(C)C)C1 ZINC000072147093 507757487 /nfs/dbraw/zinc/75/74/87/507757487.db2.gz MLXONSYYBFSDJE-KRWDZBQOSA-N 0 3 356.514 2.883 50 0 FFAAHN CNc1cc(C(=O)N(CCc2ccccc2)C2CCN(C)CC2)ccn1 ZINC000072420338 507786915 /nfs/dbraw/zinc/78/69/15/507786915.db2.gz AJKULBCNDRSCTK-UHFFFAOYSA-N 0 3 352.482 2.902 50 0 FFAAHN C[C@H](C1CCN(C(=O)Cc2cc(F)cc(Cl)c2)CC1)N1CCOCC1 ZINC000072423752 507787421 /nfs/dbraw/zinc/78/74/21/507787421.db2.gz LAQYBJUMWHYMTD-CQSZACIVSA-N 0 3 368.880 2.981 50 0 FFAAHN O=C(Cn1cc(Cl)cn1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072426112 507788187 /nfs/dbraw/zinc/78/81/87/507788187.db2.gz FWRUKIKUPLMGBJ-UHFFFAOYSA-N 0 3 358.873 2.586 50 0 FFAAHN Cc1ncc2c(c1CNC(=O)COc1ccc3ccccc3c1)CCNC2 ZINC000072429094 507789724 /nfs/dbraw/zinc/78/97/24/507789724.db2.gz LLQPZVDJWLJJQK-UHFFFAOYSA-N 0 3 361.445 2.884 50 0 FFAAHN Cc1cnc(CN2C[C@@]3(CCCN(Cc4ccncc4)C3)CCC2=O)cn1 ZINC000091325329 507981002 /nfs/dbraw/zinc/98/10/02/507981002.db2.gz VRVUDFVZMOUNDI-NRFANRHFSA-N 0 3 365.481 2.585 50 0 FFAAHN O=C(C[C@@H]1CNCCO1)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000091365055 507982041 /nfs/dbraw/zinc/98/20/41/507982041.db2.gz DMKGMZAUAIZYFB-OAQYLSRUSA-N 0 3 364.489 2.974 50 0 FFAAHN C[C@@H]1CN(C(=O)C2(c3ccccc3)CCN(C)CC2)C[C@@]1(O)C1CCC1 ZINC000091426922 507985280 /nfs/dbraw/zinc/98/52/80/507985280.db2.gz IDZSBXKNRFQWLF-VGSWGCGISA-N 0 3 356.510 2.660 50 0 FFAAHN CCn1nc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cc1C ZINC000091593721 507994820 /nfs/dbraw/zinc/99/48/20/507994820.db2.gz ICPJVQAHAFWBPF-RBUKOAKNSA-N 0 3 352.482 2.948 50 0 FFAAHN CCOc1cc(Cl)c(CN2CC[C@@]3(C2)CCCNC3=O)cc1OC ZINC000091713669 508005234 /nfs/dbraw/zinc/00/52/34/508005234.db2.gz HPWNTSJLERMRDY-GOSISDBHSA-N 0 3 352.862 2.849 50 0 FFAAHN CC1(C)CN(Cc2ccc(Cl)s2)CC[C@@]1(O)CN1CCOCC1 ZINC000091871269 508021208 /nfs/dbraw/zinc/02/12/08/508021208.db2.gz WMPCVGKKZYZUSD-QGZVFWFLSA-N 0 3 358.935 2.697 50 0 FFAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1cccnc1)CC2 ZINC000091950760 508026833 /nfs/dbraw/zinc/02/68/33/508026833.db2.gz OBRHFVHBWURTGS-UHFFFAOYSA-N 0 3 353.470 2.594 50 0 FFAAHN Cc1ccc(-c2cc(C(=O)N3CCN(CCn4cccc4)CC3)n[nH]2)s1 ZINC000091985842 508029383 /nfs/dbraw/zinc/02/93/83/508029383.db2.gz GQSSGSNYQBXNCX-UHFFFAOYSA-N 0 3 369.494 2.706 50 0 FFAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1cnccc1C)CC2 ZINC000092028649 508034396 /nfs/dbraw/zinc/03/43/96/508034396.db2.gz GXKLSQTUSFUSMX-UHFFFAOYSA-N 0 3 367.497 2.903 50 0 FFAAHN CCc1nn(C)cc1C(=O)N(Cc1ccc(O)cc1)C[C@H]1CCCN1CC ZINC000092544946 508080784 /nfs/dbraw/zinc/08/07/84/508080784.db2.gz ATGWSBHGGYQDSB-QGZVFWFLSA-N 0 3 370.497 2.815 50 0 FFAAHN COc1ccc2c(c1)[C@@H](NC1CCN(c3ncccn3)CC1)CCCO2 ZINC000375535321 512380696 /nfs/dbraw/zinc/38/06/96/512380696.db2.gz ZXAOVPGAWUCVQC-SFHVURJKSA-N 0 3 354.454 2.958 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)CCc3c(C)noc3C)C[C@H]2N(C)C)cc1 ZINC000095362565 508176983 /nfs/dbraw/zinc/17/69/83/508176983.db2.gz JNCJDDUIFHHKBM-VQTJNVASSA-N 0 3 371.481 2.789 50 0 FFAAHN Cc1ccccc1[C@H](C(=O)N1CCC(N2CCSCC2)CC1)N(C)C ZINC000095362610 508177015 /nfs/dbraw/zinc/17/70/15/508177015.db2.gz FPEMZMXZSMCRIA-LJQANCHMSA-N 0 3 361.555 2.638 50 0 FFAAHN Cc1nc[nH]c1CN1C[C@H]2CC[C@H](CN2Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000095376882 508179658 /nfs/dbraw/zinc/17/96/58/508179658.db2.gz PJYHAZFCIWUKAT-JKSUJKDBSA-N 0 3 366.469 2.798 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)c1cn(CC(C)C)c(=O)c2ccccc12 ZINC000095473993 508188652 /nfs/dbraw/zinc/18/86/52/508188652.db2.gz GBJBYMUFGPGATG-MRXNPFEDSA-N 0 3 355.482 2.872 50 0 FFAAHN NC(=O)Cn1ccnc1[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000095504389 508191413 /nfs/dbraw/zinc/19/14/13/508191413.db2.gz HZWVJFAVXNQOBT-AWEZNQCLSA-N 0 3 366.387 2.767 50 0 FFAAHN CN1CCC(Cc2nc(-c3ccc(=O)[nH]c3)n(-c3ccccc3F)n2)CC1 ZINC000095509034 508192986 /nfs/dbraw/zinc/19/29/86/508192986.db2.gz XHRSPAJXGSLCTJ-UHFFFAOYSA-N 0 3 367.428 2.646 50 0 FFAAHN Cc1nn(C)cc1CN1CCC[C@H](c2nccn2Cc2cscn2)C1 ZINC000095525703 508195750 /nfs/dbraw/zinc/19/57/50/508195750.db2.gz YBNHQRFNRJIPFC-HNNXBMFYSA-N 0 3 356.499 2.809 50 0 FFAAHN O=C1C[C@@H]([C@@H]2CCCCN2Cc2cc(Cl)c3c(c2)OCCCO3)CN1 ZINC000095978925 508200230 /nfs/dbraw/zinc/20/02/30/508200230.db2.gz IEBKDJLDBPOSPT-ZBFHGGJFSA-N 0 3 364.873 2.992 50 0 FFAAHN O=C1CC[C@]2(CCCN(Cc3cccc(Cl)c3)C2)CN1CCCO ZINC000082120265 508226299 /nfs/dbraw/zinc/22/62/99/508226299.db2.gz RNPFBKGMYQPACA-IBGZPJMESA-N 0 3 350.890 2.927 50 0 FFAAHN CSc1ccccc1CN1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082157022 508227371 /nfs/dbraw/zinc/22/73/71/508227371.db2.gz MMRUBRCBALECNP-HXUWFJFHSA-N 0 3 362.539 2.996 50 0 FFAAHN CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000077299392 508297066 /nfs/dbraw/zinc/29/70/66/508297066.db2.gz SJEYPSYSISHZKT-IBGZPJMESA-N 0 3 361.449 2.600 50 0 FFAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)CCCn2cncn2)cc1 ZINC000077298308 508297102 /nfs/dbraw/zinc/29/71/02/508297102.db2.gz PWFQXTBQMOKZJP-IBGZPJMESA-N 0 3 355.486 2.874 50 0 FFAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2c[nH]c(=O)cc2O)cc1 ZINC000077437481 508315513 /nfs/dbraw/zinc/31/55/13/508315513.db2.gz REQHATYZVGNVNC-KRWDZBQOSA-N 0 3 355.438 2.510 50 0 FFAAHN Cc1cc2ncn(C[C@@H](O)CN3CC[C@H](Oc4cccnc4)C3)c2cc1C ZINC000152268256 508413131 /nfs/dbraw/zinc/41/31/31/508413131.db2.gz QKNIUMNCZJVGQY-HKUYNNGSSA-N 0 3 366.465 2.562 50 0 FFAAHN COc1ccc(-c2ncc(CN3CCC[C@H](c4nnc[nH]4)C3)cn2)cc1 ZINC000215384445 509247381 /nfs/dbraw/zinc/24/73/81/509247381.db2.gz SIYQWHHZBSXSON-INIZCTEOSA-N 0 3 350.426 2.650 50 0 FFAAHN CN1CCC(CNC(=O)Cn2ncc3ccccc32)(c2ccccc2)CC1 ZINC000220445756 509299671 /nfs/dbraw/zinc/29/96/71/509299671.db2.gz ATQATSSRGRJJJW-UHFFFAOYSA-N 0 3 362.477 2.816 50 0 FFAAHN Cc1cc(S(=O)(=O)NCC2CCN([C@H]3CCSC3)CC2)ccc1F ZINC000225572585 509378294 /nfs/dbraw/zinc/37/82/94/509378294.db2.gz HJTKWIRHNVUENE-HNNXBMFYSA-N 0 3 372.531 2.630 50 0 FFAAHN CCc1ccc(CN2CCN(C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)o1 ZINC000230184566 509432795 /nfs/dbraw/zinc/43/27/95/509432795.db2.gz PDXNGKWWJYPFBY-OAQYLSRUSA-N 0 3 359.514 2.751 50 0 FFAAHN C[C@@H]1CN(C2CCN(Cc3cc(-c4ccncc4)no3)CC2)C[C@H](C)O1 ZINC000244601968 509861614 /nfs/dbraw/zinc/86/16/14/509861614.db2.gz DVFGGLIHQRYHPE-IYBDPMFKSA-N 0 3 356.470 2.810 50 0 FFAAHN CN(C)[C@@H](C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1)c1ccc2c(c1)OCO2 ZINC000244633672 509862272 /nfs/dbraw/zinc/86/22/72/509862272.db2.gz GHKCFCAEPUHGCB-GOSISDBHSA-N 0 3 372.469 2.697 50 0 FFAAHN COc1ccccc1CNC(=O)CCN(C)Cc1ccc2nsnc2c1 ZINC000244734881 509867251 /nfs/dbraw/zinc/86/72/51/509867251.db2.gz NNKFWAYENQSWHZ-UHFFFAOYSA-N 0 3 370.478 2.838 50 0 FFAAHN CCn1cnnc1[C@H](C)NC(=O)CC1CCN(Cc2ccccc2)CC1 ZINC000244724463 509867521 /nfs/dbraw/zinc/86/75/21/509867521.db2.gz MUQXYCOFWSLEPM-INIZCTEOSA-N 0 3 355.486 2.778 50 0 FFAAHN Cc1cc(C)n([C@H]2CCN(CCC(=O)Nc3nnc(C4CC4)s3)C2)n1 ZINC000244873258 509873055 /nfs/dbraw/zinc/87/30/55/509873055.db2.gz WMRYCFLWBGTESH-AWEZNQCLSA-N 0 3 360.487 2.504 50 0 FFAAHN O=C(CN1CCC(N2CCSCC2)CC1)Nc1ccc(Cl)cc1F ZINC000244858427 509873266 /nfs/dbraw/zinc/87/32/66/509873266.db2.gz VKXZQYGNAXRKNO-UHFFFAOYSA-N 0 3 371.909 2.931 50 0 FFAAHN O[C@@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000245329100 509886198 /nfs/dbraw/zinc/88/61/98/509886198.db2.gz QSRPGKYHPZUAQD-RTBURBONSA-N 0 3 363.429 2.977 50 0 FFAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2c[nH]c(=O)c(Cl)c2)C1 ZINC000253537081 509887626 /nfs/dbraw/zinc/88/76/26/509887626.db2.gz WTMLQLSGFCNKOY-CQSZACIVSA-N 0 3 359.857 2.968 50 0 FFAAHN Cc1noc(CN2CCN([C@H]3CCN(Cc4cc(C)ccc4C)C3)C2=O)n1 ZINC000257194331 509953845 /nfs/dbraw/zinc/95/38/45/509953845.db2.gz TWDQCMMZVPJJIN-SFHVURJKSA-N 0 3 369.469 2.507 50 0 FFAAHN CC1(C)C[C@@H](NCc2cccc(N3CCCS3(=O)=O)c2)C(C)(C)O1 ZINC000185296771 510795028 /nfs/dbraw/zinc/79/50/28/510795028.db2.gz PGGYFYCJSSMDQP-MRXNPFEDSA-N 0 3 352.500 2.662 50 0 FFAAHN CC(C)[C@H]1N(C(=O)Nc2cnc(N3CCNCC3)nc2)CC12CCCCC2 ZINC000333336772 511208723 /nfs/dbraw/zinc/20/87/23/511208723.db2.gz PCDTXGAUHHXWPL-QGZVFWFLSA-N 0 3 372.517 2.709 50 0 FFAAHN Cn1cc(CN(C(=O)NCCN2CC[C@@H](c3ccccc3)C2)C2CC2)cn1 ZINC000426360120 513913754 /nfs/dbraw/zinc/91/37/54/513913754.db2.gz IQUTYCNUMGOGKE-LJQANCHMSA-N 0 3 367.497 2.584 50 0 FFAAHN CO[C@]12CCN(Cc3[nH]cc(C)c(=O)c3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426369898 513917611 /nfs/dbraw/zinc/91/76/11/513917611.db2.gz HODWILIWIFYMRI-SLYNCCJLSA-N 0 3 360.498 2.930 50 0 FFAAHN C[C@H](NC(=O)N1CCN(C2CCN(C)CC2)CC1)c1ccccc1Cl ZINC000426488578 513957056 /nfs/dbraw/zinc/95/70/56/513957056.db2.gz ZDSJMTLCUWYGOD-HNNXBMFYSA-N 0 3 364.921 2.822 50 0 FFAAHN CN(C)Cc1ccc(CNC(=O)N2CC(Oc3ccc(F)cc3)C2)cc1 ZINC000426518700 513966472 /nfs/dbraw/zinc/96/64/72/513966472.db2.gz FNLLSGFKLHWRDF-UHFFFAOYSA-N 0 3 357.429 2.860 50 0 FFAAHN CCOC(=O)c1ccc(-c2cccc(C(=O)N(C)[C@@H]3CCN(C)C3)c2)nc1 ZINC000426530338 513970638 /nfs/dbraw/zinc/97/06/38/513970638.db2.gz AVLWBOQFLCXXNZ-GOSISDBHSA-N 0 3 367.449 2.701 50 0 FFAAHN CN(C/C=C/c1ccccc1)C(=O)NCC1(N2CCN(C)CC2)CCCC1 ZINC000534640820 517978688 /nfs/dbraw/zinc/97/86/88/517978688.db2.gz YXPJODGKJKKUHV-DHZHZOJOSA-N 0 3 370.541 2.901 50 0 FFAAHN Cc1ccccc1[C@@H](CNC(=O)N1CCC(c2ncon2)CC1)N(C)C ZINC000534659745 517988399 /nfs/dbraw/zinc/98/83/99/517988399.db2.gz QEHUSQJOLTYLMZ-QGZVFWFLSA-N 0 3 357.458 2.570 50 0 FFAAHN Cc1ccc2[nH]c(CCNC(=O)N3CC(N4CCCC[C@H]4C)C3)nc2c1 ZINC000534676292 517996761 /nfs/dbraw/zinc/99/67/61/517996761.db2.gz XFVDOTVPMMZONI-OAHLLOKOSA-N 0 3 355.486 2.682 50 0 FFAAHN Cc1ccc2nc(CCNC(=O)N3CC(N4CCCC[C@H]4C)C3)[nH]c2c1 ZINC000534676292 517996768 /nfs/dbraw/zinc/99/67/68/517996768.db2.gz XFVDOTVPMMZONI-OAHLLOKOSA-N 0 3 355.486 2.682 50 0 FFAAHN O=C(NCC1CCN([C@H]2CCOC2)CC1)c1ccccc1C(F)(F)F ZINC000575415708 518216199 /nfs/dbraw/zinc/21/61/99/518216199.db2.gz VGQNZLAYXPJNNT-AWEZNQCLSA-N 0 3 356.388 2.936 50 0 FFAAHN O=C(NCCOc1ccccc1)N1CCCN(C2CCSCC2)CC1 ZINC000575617408 518238136 /nfs/dbraw/zinc/23/81/36/518238136.db2.gz PFXHQSRHWZBDSC-UHFFFAOYSA-N 0 3 363.527 2.678 50 0 FFAAHN CC(C)n1cc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)cn1 ZINC000020451983 519948966 /nfs/dbraw/zinc/94/89/66/519948966.db2.gz KUYVVCRHPIKEMS-NRFANRHFSA-N 0 3 356.514 2.575 50 0 FFAAHN NC(=O)c1cccc(NC(=O)NCCN2CCC[C@H](c3ccccc3)C2)c1 ZINC000299772960 534496529 /nfs/dbraw/zinc/49/65/29/534496529.db2.gz DCSRDRZSXFWLLH-SFHVURJKSA-N 0 3 366.465 2.787 50 0 FFAAHN CCCCc1ncc(CN2C[C@@H](c3ccc(OC)cc3)[C@H](NC(C)=O)C2)[nH]1 ZINC000091305165 521302258 /nfs/dbraw/zinc/30/22/58/521302258.db2.gz WFKNGGVCOABKRX-VQTJNVASSA-N 0 3 370.497 2.865 50 0 FFAAHN COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2[C@@H]3CC[C@H]2CNCC3)c1 ZINC000091350647 521901832 /nfs/dbraw/zinc/90/18/32/521901832.db2.gz VLZZCYHUZXGROP-MSOLQXFVSA-N 0 3 372.465 2.619 50 0 FFAAHN CN(CCc1ccccn1)[C@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000020256589 522965883 /nfs/dbraw/zinc/96/58/83/522965883.db2.gz ISEVYGFHNCMYQR-FQEVSTJZSA-N 0 3 352.482 2.930 50 0 FFAAHN CN(Cc1ccco1)C1CCN(c2cccc(N3CCNC3=O)c2)CC1 ZINC000020906165 523434899 /nfs/dbraw/zinc/43/48/99/523434899.db2.gz JGOXBXIPDZGISU-UHFFFAOYSA-N 0 3 354.454 2.910 50 0 FFAAHN CN1CC=C(CCNC(=O)c2cccc(-c3noc(C4CC4)n3)c2)CC1 ZINC000089374936 523745094 /nfs/dbraw/zinc/74/50/94/523745094.db2.gz GZYLTWSVORBDPR-UHFFFAOYSA-N 0 3 352.438 2.996 50 0 FFAAHN COc1ccc(CN2C[C@H]3CC[C@H](CN3C(=O)Cc3cccnc3)C2)cc1 ZINC000091255308 524042474 /nfs/dbraw/zinc/04/24/74/524042474.db2.gz NYRLCYXXSJUHNI-VQTJNVASSA-N 0 3 365.477 2.756 50 0 FFAAHN COc1cccc(-c2cc(C(=O)N3CC(N4CCCC[C@H]4C)C3)n[nH]2)c1 ZINC000091468940 525701387 /nfs/dbraw/zinc/70/13/87/525701387.db2.gz JFYHUAGZERDWHH-CQSZACIVSA-N 0 3 354.454 2.784 50 0 FFAAHN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCN(C)CC1 ZINC000020818757 525929872 /nfs/dbraw/zinc/92/98/72/525929872.db2.gz MYLUESADSMCWJT-KRWDZBQOSA-N 0 3 361.530 2.505 50 0 FFAAHN c1coc(CN2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)c1 ZINC000091616491 526565539 /nfs/dbraw/zinc/56/55/39/526565539.db2.gz WFWVSQSQCNJCOK-UHFFFAOYSA-N 0 3 352.442 2.830 50 0 FFAAHN CCNC(=O)[C@@H]1C[C@@H](NCc2cccc(F)c2)CN1Cc1ccccc1 ZINC000299792829 528215813 /nfs/dbraw/zinc/21/58/13/528215813.db2.gz HCPUNCFUGWVBFK-UXHICEINSA-N 0 3 355.457 2.695 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)c1cccc(-c2ccc(CO)cc2CO)c1 ZINC000299758133 529080751 /nfs/dbraw/zinc/08/07/51/529080751.db2.gz CXZNTJCBYHYBEU-HXUWFJFHSA-N 0 3 368.477 2.552 50 0 FFAAHN O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NCCN1CCCCC1 ZINC000046855277 570875954 /nfs/dbraw/zinc/87/59/54/570875954.db2.gz FLXPXEIBHNPGDC-SNAWJCMRSA-N 0 3 350.846 2.727 50 0 FFAAHN Cc1csc2c1ncnc2N1CCC[C@H](Cn2cc(C(C)(C)N)nn2)C1 ZINC000048175520 570936619 /nfs/dbraw/zinc/93/66/19/570936619.db2.gz LTTGNHNBBGPFRP-ZDUSSCGKSA-N 0 3 371.514 2.702 50 0 FFAAHN Cc1nnc(CN2C[C@H](c3nc(C(C)C)n[nH]3)[C@@H](C3CC3)C2)n1C1CC1 ZINC000685943647 571104323 /nfs/dbraw/zinc/10/43/23/571104323.db2.gz ZWILEVOXHIEHNN-CVEARBPZSA-N 0 3 355.490 2.789 50 0 FFAAHN Cc1nnc(CN2C[C@H](c3n[nH]c(C(C)C)n3)[C@@H](C3CC3)C2)n1C1CC1 ZINC000685943647 571104325 /nfs/dbraw/zinc/10/43/25/571104325.db2.gz ZWILEVOXHIEHNN-CVEARBPZSA-N 0 3 355.490 2.789 50 0 FFAAHN O=C(NCc1cccnc1)c1ccc(SCCN2CCCCC2)nc1 ZINC000021663436 571144606 /nfs/dbraw/zinc/14/46/06/571144606.db2.gz NHIJCDILPHSSCH-UHFFFAOYSA-N 0 3 356.495 2.985 50 0 FFAAHN COCCN1CCC[C@@]2(CCN(Cc3c(F)cccc3Cl)C2)C1=O ZINC000012579330 727814340 /nfs/dbraw/zinc/81/43/40/727814340.db2.gz SBZTUSCEQLVGES-SFHVURJKSA-N 0 3 354.853 2.940 50 0 FFAAHN CN1CCN2C[C@@H](NC(=O)c3sc4cccc(F)c4c3Cl)C[C@H]2C1 ZINC000091713689 728461361 /nfs/dbraw/zinc/46/13/61/728461361.db2.gz TZSMQTUVMHOUBK-QWRGUYRKSA-N 0 3 367.877 2.812 50 0 FFAAHN CO[C@H]1CN(C(C)C)[C@H]1C1CCN(C(=O)c2sc(C)nc2C)CC1 ZINC000581813227 845944997 /nfs/dbraw/zinc/94/49/97/845944997.db2.gz MKTZZXPLMXMHAA-HOTGVXAUSA-N 0 3 351.516 2.720 50 0 FFAAHN Cn1nc(C(=O)N(CCN2CCCCC2)C2CCOCC2)c2ccccc21 ZINC000675022056 971504064 /nfs/dbraw/zinc/50/40/64/971504064.db2.gz IVRKCPQAJKBZEJ-UHFFFAOYSA-N 0 3 370.497 2.680 50 0 FFAAHN CC(C)c1ccc(OCn2ccc(C(=O)NC3CCN(C)CC3)n2)cc1 ZINC000002798741 966227610 /nfs/dbraw/zinc/22/76/10/966227610.db2.gz AXAHEBXQHLOJRX-UHFFFAOYSA-N 0 3 356.470 2.867 50 0 FFAAHN O=c1cc(C2CC2)nc(-c2ccc(C[N@@H+]3CC[C@@H](n4ccnc4)C3)cc2)[n-]1 ZINC000023153362 967198143 /nfs/dbraw/zinc/19/81/43/967198143.db2.gz HKLVEJJRVUFQRH-GOSISDBHSA-N 0 3 361.449 2.958 50 0 FFAAHN O=c1cc(C2CC2)nc(-c2ccc(C[N@H+]3CC[C@@H](n4ccnc4)C3)cc2)[n-]1 ZINC000023153362 967198149 /nfs/dbraw/zinc/19/81/49/967198149.db2.gz HKLVEJJRVUFQRH-GOSISDBHSA-N 0 3 361.449 2.958 50 0 FFAAHN CCCNC(=O)N1CCC(N2C[C@@H](OCCOC)C23CCCCC3)CC1 ZINC000169787033 984965585 /nfs/dbraw/zinc/96/55/85/984965585.db2.gz AVZKGDHOZGVDTI-GOSISDBHSA-N 0 3 367.534 2.621 50 0 FFAAHN CCC(CC)CN1C[C@H](n2cnnn2)C[C@H]1C(=O)NC1CCCCCC1 ZINC000012185927 988277945 /nfs/dbraw/zinc/27/79/45/988277945.db2.gz NTWWLTSNHIFTTJ-MSOLQXFVSA-N 0 3 362.522 2.564 50 0 FFAAHN Cc1cc2nc(C(=O)NC3CCN(Cc4cccs4)CC3)cc(C)n2n1 ZINC000825292246 999307252 /nfs/dbraw/zinc/30/72/52/999307252.db2.gz FSKHGDNNXAGHPU-UHFFFAOYSA-N 0 3 369.494 2.802 50 0 FFAAHN Cc1n[nH]c(C)c1CN1CCC(CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC000828111562 999553620 /nfs/dbraw/zinc/55/36/20/999553620.db2.gz DHUHZAODJOABGG-JMKWWQJESA-N 0 3 356.514 2.647 50 0 FFAAHN O=C(NCCN1CCCC[C@H]1CO)NCc1ccc(Cl)cc1Cl ZINC000828710777 999579727 /nfs/dbraw/zinc/57/97/27/999579727.db2.gz CVCOGHUFGBUUQC-AWEZNQCLSA-N 0 3 360.285 2.639 50 0 FFAAHN CNc1ccc(C(=O)N2CCC[C@@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000952845529 1010976839 /nfs/dbraw/zinc/97/68/39/1010976839.db2.gz PLMBMCQFKAJLRX-KRWDZBQOSA-N 0 3 353.470 2.503 50 0 FFAAHN CC(C)c1ncc(C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)s1 ZINC000188157755 1023024637 /nfs/dbraw/zinc/02/46/37/1023024637.db2.gz FNFOUGCQPUBVLY-HXUWFJFHSA-N 0 3 373.522 2.976 50 0 FFAAHN Cc1ccc(CNC(=O)C2(N)CC3(CCC3)C2)c(OC[C@H]2CCCO2)c1 ZINC000659278070 1025987070 /nfs/dbraw/zinc/98/70/70/1025987070.db2.gz BPXINXFOGLZDCX-QGZVFWFLSA-N 0 3 358.482 2.831 50 0 FFAAHN COCCN1CC[C@@H](C(=O)Nc2ncc(Cc3cccc(F)c3)s2)C1 ZINC001506397090 1059489328 /nfs/dbraw/zinc/48/93/28/1059489328.db2.gz YLSVUTMLXZKPMP-CQSZACIVSA-N 0 3 363.458 2.780 50 0 FFAAHN Cc1ccc2nc(CCN3CCN(c4ncnc(C)c4C)CC3)[nH]c2c1 ZINC001506404087 1059495726 /nfs/dbraw/zinc/49/57/26/1059495726.db2.gz FRJDHJRJFCFFLY-UHFFFAOYSA-N 0 3 350.470 2.643 50 0 FFAAHN CN(CC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)C1CCCC1 ZINC001529107142 1062166099 /nfs/dbraw/zinc/16/60/99/1062166099.db2.gz WRSIOMWQEPCALK-UTKZUKDTSA-N 0 3 367.493 2.783 50 0 FFAAHN CCOC(=O)c1sc(NC(=O)C2Oc3ccccc3O[C@H]2C)nc1C ZINC000014165500 204570769 /nfs/dbraw/zinc/57/07/69/204570769.db2.gz VPBXNDUZZDFBLU-GXFFZTMASA-N 0 3 362.407 2.795 50 0 FFAAHN Cc1ccc(CNc2nc(NCCN3CCCC3)nc3c2cnn3C)cc1 ZINC000021929526 204764666 /nfs/dbraw/zinc/76/46/66/204764666.db2.gz HUMGIZHAMLIPNB-UHFFFAOYSA-N 0 3 365.485 2.792 50 0 FFAAHN CN1CCN(CCCNC(=O)COc2ccccc2)[C@H](c2ccccc2)C1 ZINC000036389953 205015169 /nfs/dbraw/zinc/01/51/69/205015169.db2.gz RXNGCFBASAFABE-NRFANRHFSA-N 0 3 367.493 2.560 50 0 FFAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCN(C(C)C)[C@H](CCO)C1 ZINC000039485944 205046168 /nfs/dbraw/zinc/04/61/68/205046168.db2.gz IQUWILPSKDPGRH-HXUWFJFHSA-N 0 3 374.504 2.905 50 0 FFAAHN O=C(NC1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1)C1CC1 ZINC000040120379 205058898 /nfs/dbraw/zinc/05/88/98/205058898.db2.gz OKOXIDQGMVJLAI-MRXNPFEDSA-N 0 3 356.388 2.729 50 0 FFAAHN COc1cccc(CS(=O)(=O)C(C)C(=O)N(C)Cc2ccccc2)c1 ZINC000046140343 205133230 /nfs/dbraw/zinc/13/32/30/205133230.db2.gz ROZGUXISFYOPBQ-OAHLLOKOSA-N 0 3 361.463 2.657 50 0 FFAAHN CN(C)C(=O)COc1ccccc1CNC[C@@H]1CCN(c2ccccc2)C1 ZINC000048375256 205163062 /nfs/dbraw/zinc/16/30/62/205163062.db2.gz REDIVXKULBSBOY-SFHVURJKSA-N 0 3 367.493 2.770 50 0 FFAAHN CCCNC(=O)[C@H]1CCCN(C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000050995416 205179507 /nfs/dbraw/zinc/17/95/07/205179507.db2.gz ZYFVTLZWKANQIZ-HOCLYGCPSA-N 0 3 358.404 2.977 50 0 FFAAHN CSCC[C@H](N)C(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1 ZINC000055182744 205209187 /nfs/dbraw/zinc/20/91/87/205209187.db2.gz DPGMLFWRLXCSLN-KRWDZBQOSA-N 0 3 357.479 2.887 50 0 FFAAHN Cn1cnnc1CC1CCN(Cc2cccc(Oc3ncccn3)c2)CC1 ZINC000055228136 205212339 /nfs/dbraw/zinc/21/23/39/205212339.db2.gz UVMJTKWFLRGNCL-UHFFFAOYSA-N 0 3 364.453 2.852 50 0 FFAAHN CCC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000058323486 205271795 /nfs/dbraw/zinc/27/17/95/205271795.db2.gz DHLSVSBQLBMIHP-VQTJNVASSA-N 0 3 371.525 2.663 50 0 FFAAHN COc1cc([C@@H](C)NC(=O)C(C)S(=O)(=O)C(C)C)ccc1OC(C)C ZINC000058368257 205273333 /nfs/dbraw/zinc/27/33/33/205273333.db2.gz HPPRQYSRSBYYHS-ZIAGYGMSSA-N 0 3 371.499 2.871 50 0 FFAAHN CCS(=O)(=O)c1ccccc1C(=O)NCCCN1C[C@H](C)C[C@H](C)C1 ZINC000059056400 205279672 /nfs/dbraw/zinc/27/96/72/205279672.db2.gz QPXANUJBCUVPKD-IYBDPMFKSA-N 0 3 366.527 2.578 50 0 FFAAHN CN(C)CCn1nnc2cc(-c3noc(Cc4cccc(F)c4)n3)ccc21 ZINC000065254991 205329975 /nfs/dbraw/zinc/32/99/75/205329975.db2.gz XTTJQOVTSOFUGZ-UHFFFAOYSA-N 0 3 366.400 2.773 50 0 FFAAHN O=C(CCN1CCC(N2C(=O)Cc3ccccc32)CC1)Nc1nccs1 ZINC000065508186 205357634 /nfs/dbraw/zinc/35/76/34/205357634.db2.gz AYUPGNXUVTYRKI-UHFFFAOYSA-N 0 3 370.478 2.525 50 0 FFAAHN CC[C@@H](NC(=O)c1cnn2cc(CN(CC)CC)cnc12)c1cccnc1 ZINC000067457935 205372767 /nfs/dbraw/zinc/37/27/67/205372767.db2.gz IKCWDVLCPZGLNJ-GOSISDBHSA-N 0 3 366.469 2.847 50 0 FFAAHN Cc1ccc(CNC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)cc1C ZINC000067757582 205389617 /nfs/dbraw/zinc/38/96/17/205389617.db2.gz OXUKEUFTALLMPT-QHCPKHFHSA-N 0 3 366.505 2.989 50 0 FFAAHN CC[C@H](C)c1ccccc1OCC(=O)N1CCC2(CC1)CN(C)CCN2C ZINC000067840678 205396002 /nfs/dbraw/zinc/39/60/02/205396002.db2.gz DYYOJWHKOUUBBM-SFHVURJKSA-N 0 3 373.541 2.817 50 0 FFAAHN COc1ccccc1-n1nc(C2CC2)nc1CC[C@H](C)N1CCN(C)CC1 ZINC000096139128 205832995 /nfs/dbraw/zinc/83/29/95/205832995.db2.gz LUIOWGUYHQSKBK-INIZCTEOSA-N 0 3 369.513 2.722 50 0 FFAAHN CN1CCC(C(=O)NC[C@H](O)c2cccc(Oc3ccccc3)c2)CC1 ZINC000097619677 205919459 /nfs/dbraw/zinc/91/94/59/205919459.db2.gz RRGZYCZMDQFGPA-FQEVSTJZSA-N 0 3 354.450 2.970 50 0 FFAAHN C[C@H](CNC(=O)NC[C@@H]1CCN(c2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000106526367 206015137 /nfs/dbraw/zinc/01/51/37/206015137.db2.gz BXYZIONQJQONMS-QRVBRYPASA-N 0 3 358.530 2.933 50 0 FFAAHN CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000002654006 206156496 /nfs/dbraw/zinc/15/64/96/206156496.db2.gz GMHIXVKGQDMTQO-VQTJNVASSA-N 0 3 367.493 2.860 50 0 FFAAHN O=C(CCCc1ccc(Cl)cc1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000219286872 206380775 /nfs/dbraw/zinc/38/07/75/206380775.db2.gz FUGYPUOROXGGJZ-ROUUACIJSA-N 0 3 350.890 2.720 50 0 FFAAHN CN1CC[C@H](NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)[C@H]1c1ccccc1 ZINC000276905096 256141377 /nfs/dbraw/zinc/14/13/77/256141377.db2.gz WJYWWKMCXPVZHL-VNTMZGSJSA-N 0 3 351.450 2.721 50 0 FFAAHN c1cn(CCOc2ccccc2CN2CCN(c3ccncc3)CC2)cn1 ZINC000215763782 132270544 /nfs/dbraw/zinc/27/05/44/132270544.db2.gz UTLCAPSKEVAIRP-UHFFFAOYSA-N 0 3 363.465 2.679 50 0 FFAAHN O=C(CSCCN1CCCC1)NC1CCN(c2ccc(F)cc2)CC1 ZINC000220033953 132275626 /nfs/dbraw/zinc/27/56/26/132275626.db2.gz YXHXEGGDVGTKRW-UHFFFAOYSA-N 0 3 365.518 2.740 50 0 FFAAHN O=C(C1CCN(c2ccncc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000033128988 136117522 /nfs/dbraw/zinc/11/75/22/136117522.db2.gz LKJLDAVIKRWENP-UHFFFAOYSA-N 0 3 368.456 2.786 50 0 FFAAHN COc1cc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)cc(Cl)c1[O-] ZINC000020166650 263378832 /nfs/dbraw/zinc/37/88/32/263378832.db2.gz MHNYQICKFBIETD-INIZCTEOSA-N 0 3 368.905 2.865 50 0 FFAAHN COc1cc(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)cc(Cl)c1[O-] ZINC000020166650 263378835 /nfs/dbraw/zinc/37/88/35/263378835.db2.gz MHNYQICKFBIETD-INIZCTEOSA-N 0 3 368.905 2.865 50 0 FFAAHN COc1cc2c(cc1CN1CC[C@]3(OC)CC[C@@H](OC)C[C@H]13)OCCO2 ZINC000426383738 263572105 /nfs/dbraw/zinc/57/21/05/263572105.db2.gz DTZAPQVBUALSSR-UIAACRFSSA-N 0 3 363.454 2.625 50 0 FFAAHN O=C(CSCCN1CCCC1)N1CC(Oc2cccc(Cl)c2)C1 ZINC000426544576 263629464 /nfs/dbraw/zinc/62/94/64/263629464.db2.gz XVAXTIVSQAEKJB-UHFFFAOYSA-N 0 3 354.903 2.759 50 0 FFAAHN CSc1cccc(CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000426691144 263658747 /nfs/dbraw/zinc/65/87/47/263658747.db2.gz GITGTXPEJNGEHW-INIZCTEOSA-N 0 3 351.516 2.661 50 0 FFAAHN CCNC(=O)c1ccccc1-c1cccc(C(=O)NCCN2CCCC2)c1 ZINC000426712221 263662134 /nfs/dbraw/zinc/66/21/34/263662134.db2.gz UQJYXRATQVWAID-UHFFFAOYSA-N 0 3 365.477 2.929 50 0 FFAAHN C[S@@](=O)c1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000032400701 506248291 /nfs/dbraw/zinc/24/82/91/506248291.db2.gz QEYQBKADSYWPII-VWLOTQADSA-N 0 3 356.491 2.602 50 0 FFAAHN CCc1ccc([C@H](CNC(=O)c2cnn(-c3ccccc3)n2)N(C)C)cc1 ZINC000032674763 506277187 /nfs/dbraw/zinc/27/71/87/506277187.db2.gz WJVVBTAVSBYJAE-FQEVSTJZSA-N 0 3 363.465 2.862 50 0 FFAAHN C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000032731290 506285580 /nfs/dbraw/zinc/28/55/80/506285580.db2.gz MHKAWSKLQRQHSX-VQIMIIECSA-N 0 3 369.465 2.720 50 0 FFAAHN Cc1ccc(-c2ccnc3c(C(=O)NCCN4CCCC4)cnn32)cc1C ZINC000034786284 506370259 /nfs/dbraw/zinc/37/02/59/506370259.db2.gz BVUZPYVZGBAFID-UHFFFAOYSA-N 0 3 363.465 2.839 50 0 FFAAHN Cc1nn(C)c(C)c1CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000040023706 506458808 /nfs/dbraw/zinc/45/88/08/506458808.db2.gz AFPXDGHTOQLPAQ-UHFFFAOYSA-N 0 3 354.498 2.750 50 0 FFAAHN C[C@H](NC(=O)C1(N2CCCCC2)Cc2ccccc2C1)c1cnn(C)c1 ZINC000011841923 506799456 /nfs/dbraw/zinc/79/94/56/506799456.db2.gz HTCBTEMUBRARKE-INIZCTEOSA-N 0 3 352.482 2.621 50 0 FFAAHN CCCC[C@@H]1CN(CCC(=O)NCCc2cn[nH]c2)Cc2ccccc2O1 ZINC000011972777 506805369 /nfs/dbraw/zinc/80/53/69/506805369.db2.gz WEBQYONKXAEYAY-LJQANCHMSA-N 0 3 370.497 2.912 50 0 FFAAHN CCCC[C@@H]1CN(CCC(=O)NCc2cnn(C)c2)Cc2ccccc2O1 ZINC000012183145 506829536 /nfs/dbraw/zinc/82/95/36/506829536.db2.gz WXHUJPPGDQVYHQ-LJQANCHMSA-N 0 3 370.497 2.880 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012322487 506848321 /nfs/dbraw/zinc/84/83/21/506848321.db2.gz LXNYFXUDUHBFNT-CYBMUJFWSA-N 0 3 368.359 2.970 50 0 FFAAHN CN(C(=O)CCCn1cncn1)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000012591966 506881940 /nfs/dbraw/zinc/88/19/40/506881940.db2.gz ZEVFFJYJQILNGJ-HXUWFJFHSA-N 0 3 369.513 2.614 50 0 FFAAHN Cc1cc(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3)nn1C ZINC000012718346 506891236 /nfs/dbraw/zinc/89/12/36/506891236.db2.gz UCOIDZIYWWXMGB-OAQYLSRUSA-N 0 3 370.472 2.996 50 0 FFAAHN Cn1nnnc1SCCNCc1cccc(OCc2ccc(F)cc2)c1 ZINC000013945473 506960518 /nfs/dbraw/zinc/96/05/18/506960518.db2.gz WXLXBCBWPGVMFI-UHFFFAOYSA-N 0 3 373.457 2.810 50 0 FFAAHN COc1cc(Br)c(CN(C)C2CCN(C)CC2)cc1OC ZINC000016662648 507101467 /nfs/dbraw/zinc/10/14/67/507101467.db2.gz VWXRBXVGEREKRK-UHFFFAOYSA-N 0 3 357.292 2.992 50 0 FFAAHN CN1CCN(C2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000019889024 507206250 /nfs/dbraw/zinc/20/62/50/507206250.db2.gz WRCCHPNXJISSST-UHFFFAOYSA-N 0 3 352.320 2.661 50 0 FFAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1 ZINC000021795001 507267893 /nfs/dbraw/zinc/26/78/93/507267893.db2.gz HGEQDFHCJMBIHK-UHFFFAOYSA-N 0 3 354.458 2.514 50 0 FFAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000021794965 507268768 /nfs/dbraw/zinc/26/87/68/507268768.db2.gz YCIBJYNFPAFRHQ-UHFFFAOYSA-N 0 3 374.876 2.859 50 0 FFAAHN C[C@H](NCC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(F)cc1 ZINC000022038399 507277883 /nfs/dbraw/zinc/27/78/83/507277883.db2.gz HEJOAZWUKMUGRQ-INIZCTEOSA-N 0 3 363.477 2.777 50 0 FFAAHN CC(C)=CCN1CCN(Cc2cccc(-n3cccn3)c2)C[C@@H]1CCO ZINC000022852354 507315397 /nfs/dbraw/zinc/31/53/97/507315397.db2.gz YWLAPFXUFIWXSP-NRFANRHFSA-N 0 3 354.498 2.707 50 0 FFAAHN OCC[C@H]1CN(Cc2nc(-c3ccccc3)no2)CCN1C1CCCCC1 ZINC000022919344 507319874 /nfs/dbraw/zinc/31/98/74/507319874.db2.gz JVAYHJZRKAVTNC-IBGZPJMESA-N 0 3 370.497 2.938 50 0 FFAAHN CC(C)CCN1CCN(Cc2cnc(N3CCCC3)s2)C[C@@H]1CCO ZINC000022932893 507320471 /nfs/dbraw/zinc/32/04/71/507320471.db2.gz GGAKYEOOYONSOH-KRWDZBQOSA-N 0 3 366.575 2.658 50 0 FFAAHN CCOc1ccc(CN2CCN(C(=O)c3[nH]nc4ccccc43)CC2)cc1 ZINC000023817849 507376536 /nfs/dbraw/zinc/37/65/36/507376536.db2.gz FCUWKXOJBMJONO-UHFFFAOYSA-N 0 3 364.449 2.920 50 0 FFAAHN CCS(=O)(=O)c1ccc(C(=O)NC[C@@]2(N(C)C)CCC[C@H](C)C2)cc1 ZINC000069119164 507413256 /nfs/dbraw/zinc/41/32/56/507413256.db2.gz XMRMWIZOIUQFPY-HNAYVOBHSA-N 0 3 366.527 2.721 50 0 FFAAHN CN(C)[C@H](CNCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000025427133 507500593 /nfs/dbraw/zinc/50/05/93/507500593.db2.gz DZSCYPOCASVNBK-MYZSEDEFSA-N 0 3 355.526 2.964 50 0 FFAAHN CN(C)[C@H](CNC(=O)c1cccc(N2CCCC2=O)c1)Cc1ccccc1 ZINC000027585694 507668965 /nfs/dbraw/zinc/66/89/65/507668965.db2.gz MPKQAMZDQAIOCM-FQEVSTJZSA-N 0 3 365.477 2.716 50 0 FFAAHN Cc1cc2n(n1)C[C@@H](CNCc1c(C)nn(-c3ccccc3)c1C)CN2 ZINC000071888673 507723786 /nfs/dbraw/zinc/72/37/86/507723786.db2.gz SSAQSHPBFIDXAQ-KRWDZBQOSA-N 0 3 350.470 2.826 50 0 FFAAHN CC(C)[C@@H]1CN(C(=O)CCCC(N)=O)CCCN1Cc1ccc(F)cc1 ZINC000072126744 507751328 /nfs/dbraw/zinc/75/13/28/507751328.db2.gz HMAVCBCWKILRCJ-SFHVURJKSA-N 0 3 363.477 2.540 50 0 FFAAHN COCCN(C)C(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072152276 507761597 /nfs/dbraw/zinc/76/15/97/507761597.db2.gz FDNVEFDJKOFGQU-UHFFFAOYSA-N 0 3 366.505 2.803 50 0 FFAAHN COC(=O)CCn1cc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)cn1 ZINC000072436607 507791305 /nfs/dbraw/zinc/79/13/05/507791305.db2.gz BIRYDSDBHFZMAB-INIZCTEOSA-N 0 3 367.453 2.702 50 0 FFAAHN Cc1nccn1CCC(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072453861 507792808 /nfs/dbraw/zinc/79/28/08/507792808.db2.gz JWZHNFGDQCAZIP-UHFFFAOYSA-N 0 3 356.514 2.695 50 0 FFAAHN C[C@H]1C[C@@H](NCCS(=O)(=O)c2ccccc2)CN1Cc1ccccc1 ZINC000079100154 507933074 /nfs/dbraw/zinc/93/30/74/507933074.db2.gz HAXJBODUNAQNBR-PKOBYXMFSA-N 0 3 358.507 2.713 50 0 FFAAHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)NC1CCC(O)CC1 ZINC000079112101 507933907 /nfs/dbraw/zinc/93/39/07/507933907.db2.gz XEPRQHMGOOKQTI-ACAXCVFMSA-N 0 3 359.514 2.842 50 0 FFAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1cscn1)CC2 ZINC000091416501 507984022 /nfs/dbraw/zinc/98/40/22/507984022.db2.gz TVJGAWPYDLWUOH-UHFFFAOYSA-N 0 3 359.499 2.656 50 0 FFAAHN COc1ccc(C(C)C)cc1CN1CCN(C)[C@]2(C1)CCNC(=O)CC2 ZINC000091452715 507987071 /nfs/dbraw/zinc/98/70/71/507987071.db2.gz SGVYDWDGLGWHPP-NRFANRHFSA-N 0 3 359.514 2.605 50 0 FFAAHN CCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1ccccc1OC)CC2 ZINC000091604872 507995950 /nfs/dbraw/zinc/99/59/50/507995950.db2.gz QCZOLTKBMDWEDJ-UHFFFAOYSA-N 0 3 368.481 2.704 50 0 FFAAHN CCC(=O)N1CCc2nc[nH]c2C12CCN(Cc1ccccc1OC)CC2 ZINC000091604872 507995953 /nfs/dbraw/zinc/99/59/53/507995953.db2.gz QCZOLTKBMDWEDJ-UHFFFAOYSA-N 0 3 368.481 2.704 50 0 FFAAHN CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(C(F)(F)F)n[nH]1)C2 ZINC000091677897 508001574 /nfs/dbraw/zinc/00/15/74/508001574.db2.gz ZYEUJJJHSVSFEM-CHWSQXEVSA-N 0 3 356.392 2.931 50 0 FFAAHN COc1ccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)o1 ZINC000091746365 508007518 /nfs/dbraw/zinc/00/75/18/508007518.db2.gz FYRCGFPNRZYAPL-UHFFFAOYSA-N 0 3 372.469 2.657 50 0 FFAAHN COc1ccc(CN2CCC(c3nncn3C)CC2)cc1OC(F)F ZINC000091795193 508013734 /nfs/dbraw/zinc/01/37/34/508013734.db2.gz VDFUJAQJMIQPQY-UHFFFAOYSA-N 0 3 352.385 2.805 50 0 FFAAHN COCCN1CC2(CCC1=O)CCN(Cc1ccc(OC)c(F)c1)CC2 ZINC000091943622 508026286 /nfs/dbraw/zinc/02/62/86/508026286.db2.gz VTMHDRLWDJGNOE-UHFFFAOYSA-N 0 3 364.461 2.685 50 0 FFAAHN Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N[C@H]1COC[C@@H]1N1CCCC1 ZINC000092021761 508034654 /nfs/dbraw/zinc/03/46/54/508034654.db2.gz QWMPBMFQFTULCP-OALUTQOASA-N 0 3 355.482 2.615 50 0 FFAAHN CN(Cc1ccc2c(c1)CN(C)C2)C(=O)[C@@H](c1cccnc1)N1CCCC1 ZINC000095384331 508181880 /nfs/dbraw/zinc/18/18/80/508181880.db2.gz HATPKTPWALCNFU-OAQYLSRUSA-N 0 3 364.493 2.823 50 0 FFAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)CSc2ccccc2)C1 ZINC000095391136 508183604 /nfs/dbraw/zinc/18/36/04/508183604.db2.gz PAZNNKUHDNATLT-QGZVFWFLSA-N 0 3 372.538 2.943 50 0 FFAAHN CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)Cc1cnc[nH]1 ZINC000095504350 508191393 /nfs/dbraw/zinc/19/13/93/508191393.db2.gz BVLZNKHOBWMIQW-UHFFFAOYSA-N 0 3 358.461 2.504 50 0 FFAAHN CN(C[C@H]1CCCN(CCc2ccccc2F)C1)S(=O)(=O)C1CC1 ZINC000095512349 508193207 /nfs/dbraw/zinc/19/32/07/508193207.db2.gz WPQFIZFSPRIDRV-OAHLLOKOSA-N 0 3 354.491 2.504 50 0 FFAAHN C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc([O-])cc2)C1 ZINC000095528160 508196239 /nfs/dbraw/zinc/19/62/39/508196239.db2.gz NCCNAWUOTOBJPN-KRWDZBQOSA-N 0 3 356.470 2.560 50 0 FFAAHN CN(C)c1cccc(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)c1 ZINC000096007007 508202589 /nfs/dbraw/zinc/20/25/89/508202589.db2.gz YYQCLOXYHXEKJD-OAQYLSRUSA-N 0 3 367.493 2.639 50 0 FFAAHN Cc1nnc(SCc2nc(-c3ccncc3)nn2C2CCN(C)CC2)o1 ZINC000096138283 508207545 /nfs/dbraw/zinc/20/75/45/508207545.db2.gz YRNJVDNIUFVDQH-UHFFFAOYSA-N 0 3 371.470 2.591 50 0 FFAAHN CN(C)C[C@]1(O)CCCN(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)C1 ZINC000096166430 508209550 /nfs/dbraw/zinc/20/95/50/508209550.db2.gz JDJZIFNQIQLBBW-OAHLLOKOSA-N 0 3 363.355 2.765 50 0 FFAAHN Cc1cn2cc(C(=O)N[C@@H]3CCN(C)C[C@@H]3Cc3ccccc3)ccc2n1 ZINC000082116223 508225895 /nfs/dbraw/zinc/22/58/95/508225895.db2.gz FZOIPELOXHBPDT-VQTJNVASSA-N 0 3 362.477 2.936 50 0 FFAAHN Cc1cc2n(n1)CCCN(C[C@@H]1[C@H]3CN(C(=O)c4ccccc4C)C[C@H]31)C2 ZINC000102533997 508276974 /nfs/dbraw/zinc/27/69/74/508276974.db2.gz SHKJUTNOZJFIME-MZADTFQBSA-N 0 3 364.493 2.724 50 0 FFAAHN Cc1ccn2c(=O)cc(CN3CCCC[C@@H]3CCn3cccn3)nc2c1 ZINC000077301250 508297212 /nfs/dbraw/zinc/29/72/12/508297212.db2.gz HDWQIVXLKWHLLW-GOSISDBHSA-N 0 3 351.454 2.644 50 0 FFAAHN Cc1cc(C(=O)NCCN2CCCC[C@H]2CO)c2ccc(C)c(C)c2n1 ZINC000077323656 508300343 /nfs/dbraw/zinc/30/03/43/508300343.db2.gz JRFOETNIHUZHHL-KRWDZBQOSA-N 0 3 355.482 2.737 50 0 FFAAHN Cn1ccnc1C(=O)[C@H]1CCCN(Cc2ccccc2Cn2cccn2)C1 ZINC000077458433 508319426 /nfs/dbraw/zinc/31/94/26/508319426.db2.gz FYFXDLNMXQJJMH-IBGZPJMESA-N 0 3 363.465 2.760 50 0 FFAAHN CN1CCN(CC[C@H]2CCCCN2C(=O)Cc2cccc(F)c2F)CC1 ZINC000223596523 509342102 /nfs/dbraw/zinc/34/21/02/509342102.db2.gz VVZHSNXDVQJLAE-QGZVFWFLSA-N 0 3 365.468 2.526 50 0 FFAAHN Cc1sc(Cl)nc1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000225464669 509372735 /nfs/dbraw/zinc/37/27/35/509372735.db2.gz POJPBUXYDQHCRW-UHFFFAOYSA-N 0 3 353.875 2.975 50 0 FFAAHN Cc1nccn1CC1CCN(C(=O)CN2CC[C@H](c3ccccc3)C2)CC1 ZINC000230517158 509438449 /nfs/dbraw/zinc/43/84/49/509438449.db2.gz WDMCOFGGUIQTRO-NRFANRHFSA-N 0 3 366.509 2.920 50 0 FFAAHN CCOC(=O)C1=C(CN2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@H]1c1ccccc1 ZINC000240244194 509839683 /nfs/dbraw/zinc/83/96/83/509839683.db2.gz DKTQTXSHRGRCCF-CLCXKQKWSA-N 0 3 371.481 2.836 50 0 FFAAHN O=C(c1cccc(CO)c1)N1CCCN(CCCc2ccccc2)CC1 ZINC000242048133 509845056 /nfs/dbraw/zinc/84/50/56/509845056.db2.gz VTBVOUPRWBFQSP-UHFFFAOYSA-N 0 3 352.478 2.960 50 0 FFAAHN CC(C)c1nnc([C@@H]2CN(C)CC23CCN(Cc2ccccn2)CC3)o1 ZINC000257175641 509946372 /nfs/dbraw/zinc/94/63/72/509946372.db2.gz QEDLEILFPUEMOA-KRWDZBQOSA-N 0 3 355.486 2.899 50 0 FFAAHN Cc1ccc(CNC(=O)[C@H](C)N2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000171644344 510271910 /nfs/dbraw/zinc/27/19/10/510271910.db2.gz IAXLKALBVPYNIM-PKOBYXMFSA-N 0 3 352.482 2.829 50 0 FFAAHN Cn1ccnc1SCC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC000299785238 511680562 /nfs/dbraw/zinc/68/05/62/511680562.db2.gz JZHVBYFAYAMCRB-MSOLQXFVSA-N 0 3 370.522 2.635 50 0 FFAAHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cc(F)c(F)cc1Cl ZINC000299803091 511687072 /nfs/dbraw/zinc/68/70/72/511687072.db2.gz WJCCAZFTEINIMW-GFCCVEGCSA-N 0 3 358.816 2.991 50 0 FFAAHN COCCN1CC[C@H](CNC(=O)N(Cc2ccncc2)C2CCCCC2)C1 ZINC000426544388 513976180 /nfs/dbraw/zinc/97/61/80/513976180.db2.gz NFPLTQWHYOXMAP-LJQANCHMSA-N 0 3 374.529 2.894 50 0 FFAAHN C[C@H]1CCCCN1C1CN(C(=O)NCc2nc(-c3ccccc3)no2)C1 ZINC000426551754 513978820 /nfs/dbraw/zinc/97/88/20/513978820.db2.gz GAOWOTFEUAXSRR-AWEZNQCLSA-N 0 3 355.442 2.505 50 0 FFAAHN OCCn1ccc([C@H]2CCCN(Cc3cnc(-c4cccs4)nc3)C2)n1 ZINC000426584621 513986995 /nfs/dbraw/zinc/98/69/95/513986995.db2.gz FRRZYAYMAKVLBS-INIZCTEOSA-N 0 3 369.494 2.774 50 0 FFAAHN O=C(NCCN1CCCOC1=O)c1cccc(CN2CCCCCC2)c1 ZINC000426613677 513996118 /nfs/dbraw/zinc/99/61/18/513996118.db2.gz SWGHXGYQMYTQCI-UHFFFAOYSA-N 0 3 359.470 2.635 50 0 FFAAHN CN(C)C[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nccs3)cc2)C1 ZINC000426674381 514012574 /nfs/dbraw/zinc/01/25/74/514012574.db2.gz ZCEKOIHOFOBERN-IBGZPJMESA-N 0 3 359.495 2.586 50 0 FFAAHN O=C(NCC1CCN([C@H]2CCOC2)CC1)c1ccccc1Br ZINC000575605156 518234049 /nfs/dbraw/zinc/23/40/49/518234049.db2.gz AFGRSFFJZLEUSR-AWEZNQCLSA-N 0 3 367.287 2.680 50 0 FFAAHN Cc1cccc([C@H](NC(=O)NCC2(O)CCN(C)CC2)c2ccccc2)c1 ZINC000584891105 518526895 /nfs/dbraw/zinc/52/68/95/518526895.db2.gz AXESBKDBCJSZMN-HXUWFJFHSA-N 0 3 367.493 2.840 50 0 FFAAHN CC(C)CN1CCCn2nc(CNC(=O)[C@H](C)Oc3ccccc3)cc2C1 ZINC000082135239 519723014 /nfs/dbraw/zinc/72/30/14/519723014.db2.gz SMFJDHHABIOSFS-KRWDZBQOSA-N 0 3 370.497 2.829 50 0 FFAAHN CCCN1CCCn2nc(CNc3nccc(C(F)(F)F)n3)cc2C1 ZINC000082098648 519855627 /nfs/dbraw/zinc/85/56/27/519855627.db2.gz MQIYSEKIPFFXAY-UHFFFAOYSA-N 0 3 354.380 2.920 50 0 FFAAHN CCOc1ccc(CC(=O)N2CC[C@@H](OCCN3CCCCC3)C2)cc1 ZINC000084807986 520933363 /nfs/dbraw/zinc/93/33/63/520933363.db2.gz BBKAEHXGLJXQTG-HXUWFJFHSA-N 0 3 360.498 2.731 50 0 FFAAHN CCCc1ccc(CN2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)o1 ZINC000091380780 521397037 /nfs/dbraw/zinc/39/70/37/521397037.db2.gz PBDPTROQPASQQO-MRXNPFEDSA-N 0 3 368.485 2.985 50 0 FFAAHN CCc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000091416450 522584275 /nfs/dbraw/zinc/58/42/75/522584275.db2.gz KBZRNWXJLHKMOX-VQTJNVASSA-N 0 3 366.509 2.959 50 0 FFAAHN CCn1c(Cn2cncn2)nnc1C1CCN(Cc2cccc(C)c2)CC1 ZINC000091468696 523207900 /nfs/dbraw/zinc/20/79/00/523207900.db2.gz WVKSEBZSXAZHQX-UHFFFAOYSA-N 0 3 365.485 2.626 50 0 FFAAHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccnc(OCc2ccccc2)c1 ZINC000241720858 524922179 /nfs/dbraw/zinc/92/21/79/524922179.db2.gz QSWHHYJWDPWQHX-DNVCBOLYSA-N 0 3 351.450 2.873 50 0 FFAAHN O=C1CC[C@]2(CCCN(C/C=C/c3ccc(F)cc3)C2)CN1CCCO ZINC000082145760 526996907 /nfs/dbraw/zinc/99/69/07/526996907.db2.gz UEUKRYWZUXYWTM-ZZSMXWANSA-N 0 3 360.473 2.926 50 0 FFAAHN O[C@@H](COCc1ccco1)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000247801642 527659573 /nfs/dbraw/zinc/65/95/73/527659573.db2.gz WCPDWXVUHGURBJ-AEFFLSMTSA-N 0 3 359.422 2.765 50 0 FFAAHN CCN1CCN(c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)CC1 ZINC000072284026 535745124 /nfs/dbraw/zinc/74/51/24/535745124.db2.gz PVSOLWCXXLWQSR-UHFFFAOYSA-N 0 3 355.457 2.940 50 0 FFAAHN O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000107348265 570896511 /nfs/dbraw/zinc/89/65/11/570896511.db2.gz RJVGCETULLGHSI-SFTDATJTSA-N 0 3 350.462 2.876 50 0 FFAAHN CNc1snc(C)c1C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC000084026795 571066631 /nfs/dbraw/zinc/06/66/31/571066631.db2.gz NYBZSJWIGBSHQS-UHFFFAOYSA-N 0 3 374.510 2.896 50 0 FFAAHN COCCOCC(=O)N1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072145487 571172918 /nfs/dbraw/zinc/17/29/18/571172918.db2.gz CGWPWHIFNWWUKZ-LJQANCHMSA-N 0 3 366.477 2.548 50 0 FFAAHN O=C(NCCN1CC[C@H](c2ccccc2)C1)c1nc2ccccn2c1F ZINC000670438293 571347776 /nfs/dbraw/zinc/34/77/76/571347776.db2.gz QRBAVYJASQHWBK-INIZCTEOSA-N 0 3 352.413 2.693 50 0 FFAAHN Cc1occc1C(=O)Nc1ccccc1C(=O)NC[C@@]1(C)CCN(C)C1 ZINC000670439053 571348102 /nfs/dbraw/zinc/34/81/02/571348102.db2.gz IDJBHHFLDAVIQY-HXUWFJFHSA-N 0 3 355.438 2.912 50 0 FFAAHN COc1ccc(CN2CCN(C3CCSCC3)C[C@H]2CCO)c(F)c1 ZINC000104459623 728501879 /nfs/dbraw/zinc/50/18/79/728501879.db2.gz NEFQWQPUKIZLEX-QGZVFWFLSA-N 0 3 368.518 2.599 50 0 FFAAHN CN(C[C@]1(C)CCN(C)C1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000952979718 740472745 /nfs/dbraw/zinc/47/27/45/740472745.db2.gz RHMNLPKAZLHPAF-CQSZACIVSA-N 0 3 350.406 2.668 50 0 FFAAHN CCOC(=O)N1CCC(N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000022455819 963844570 /nfs/dbraw/zinc/84/45/70/963844570.db2.gz LLMUMQYDQIMTMP-RMKNXTFCSA-N 0 3 357.498 2.938 50 0 FFAAHN COc1cccc(CN2CCN(Cc3cc(C(C)C)[nH]n3)C[C@@H]2CCO)c1 ZINC000020515859 970501176 /nfs/dbraw/zinc/50/11/76/970501176.db2.gz VPICAIZNQAYUFB-IBGZPJMESA-N 0 3 372.513 2.611 50 0 FFAAHN CC(C)NC(=O)c1cn(CC[C@@H]2CCCCN2C/C=C/c2ccco2)nn1 ZINC000015000238 977515045 /nfs/dbraw/zinc/51/50/45/977515045.db2.gz QFLFPNSZMQXSQY-JZLODUJNSA-N 0 3 371.485 2.967 50 0 FFAAHN O=C1[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2C(=O)N1CCc1ccccc1 ZINC000169756886 984953678 /nfs/dbraw/zinc/95/36/78/984953678.db2.gz VMJIYIHNMGIKTN-KDURUIRLSA-N 0 3 368.864 3.000 50 0 FFAAHN Cc1cccc(NC[C@@H]2CCN(CC(=O)N3CCc4ccccc43)C2)n1 ZINC000171653371 985351743 /nfs/dbraw/zinc/35/17/43/985351743.db2.gz REFRWKSXTBFBNG-KRWDZBQOSA-N 0 3 350.466 2.713 50 0 FFAAHN CSc1ccc2cc(CNCCn3cncn3)c(=O)n(CC(C)C)c2c1 ZINC000011784003 987416237 /nfs/dbraw/zinc/41/62/37/987416237.db2.gz RQJSNNRHKIKQCN-UHFFFAOYSA-N 0 3 371.510 2.761 50 0 FFAAHN CC(=O)c1cccc(CN2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)c1 ZINC000012438794 989433184 /nfs/dbraw/zinc/43/31/84/989433184.db2.gz XUVYUTGQXOVOJB-LJQANCHMSA-N 0 3 371.525 2.655 50 0 FFAAHN c1ccc(-c2nc3c(c(N4CCN(C[C@H]5CCOC5)CC4)n2)CCC3)cc1 ZINC000012457730 989463745 /nfs/dbraw/zinc/46/37/45/989463745.db2.gz WLJQWVFNXCUPKA-QGZVFWFLSA-N 0 3 364.493 2.791 50 0 FFAAHN CN1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 ZINC000828052096 999552523 /nfs/dbraw/zinc/55/25/23/999552523.db2.gz CIIVSHZTAFOACP-SFHVURJKSA-N 0 3 358.486 2.534 50 0 FFAAHN Cc1nc2ccc(NC(=O)c3cccc(CN4CC[C@H](O)C4)c3)cc2[nH]1 ZINC000067919725 1016477518 /nfs/dbraw/zinc/47/75/18/1016477518.db2.gz ZBGNXWRLYAVJPM-KRWDZBQOSA-N 0 3 350.422 2.690 50 0 FFAAHN Cc1ccccc1[C@H](CNC(=O)c1cc(CC(C)C)nc(N)n1)N(C)C ZINC000952866516 1011010851 /nfs/dbraw/zinc/01/08/51/1011010851.db2.gz ALCZIDUSEACOCM-SFHVURJKSA-N 0 3 355.486 2.598 50 0 FFAAHN CCc1nc2cc(NC(=O)CC[C@@H](C)N3CCN(C)CC3)ccc2n1CC ZINC000952966206 1011014286 /nfs/dbraw/zinc/01/42/86/1011014286.db2.gz VUTOJQCIBNLNNF-MRXNPFEDSA-N 0 3 371.529 2.973 50 0 FFAAHN O=C(c1ccc(OC2CCN(CCc3ncc[nH]3)CC2)cc1)N1CCCC1 ZINC000095508318 1011221173 /nfs/dbraw/zinc/22/11/73/1011221173.db2.gz BIYWJVBFIUFTIN-UHFFFAOYSA-N 0 3 368.481 2.732 50 0 FFAAHN CC[C@H](C(=O)N(CCc1ccccc1)C1CCN(C)CC1)n1cccn1 ZINC000072470799 1019903875 /nfs/dbraw/zinc/90/38/75/1019903875.db2.gz CPXVNWKXPUMIMB-HXUWFJFHSA-N 0 3 354.498 3.000 50 0 FFAAHN COC[C@H]1CCCN(C(=O)C2(N3CCCCC3)Cc3ccccc3C2)C1 ZINC000014951926 1021729360 /nfs/dbraw/zinc/72/93/60/1021729360.db2.gz ZMGZDCDFOOVDBS-SFHVURJKSA-N 0 3 356.510 2.895 50 0 FFAAHN Cc1ccccc1N1CCN([C@@H]2CCCN(Cc3cnn(C)c3)C2)CC1 ZINC000020543085 1022585401 /nfs/dbraw/zinc/58/54/01/1022585401.db2.gz OUETVAQFVQOTHQ-HXUWFJFHSA-N 0 3 353.514 2.515 50 0 FFAAHN COCc1ccc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)o1 ZINC000039363032 1022776200 /nfs/dbraw/zinc/77/62/00/1022776200.db2.gz AWXLAORHNRSIEM-HXUWFJFHSA-N 0 3 372.509 2.927 50 0 FFAAHN O[C@H](CNC[C@@H]1COc2ccccc2O1)COCc1ccccc1Cl ZINC000002654728 204049015 /nfs/dbraw/zinc/04/90/15/204049015.db2.gz KDPDRTDVEFFMGR-HZPDHXFCSA-N 0 3 363.841 2.647 50 0 FFAAHN CN(C)c1ccc(N2C(=O)C[C@@H](NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000004335125 204134335 /nfs/dbraw/zinc/13/43/35/204134335.db2.gz PBJXEXFOESKBCA-FRXJQHJJSA-N 0 3 367.493 2.943 50 0 FFAAHN Cc1c(NC(=O)CNCC2CCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000006949220 204283284 /nfs/dbraw/zinc/28/32/84/204283284.db2.gz YHSLHVJCZYQHKR-UHFFFAOYSA-N 0 3 356.470 2.593 50 0 FFAAHN COc1ccc(-c2cc(C(=O)N3CCN(C4CCCC4)CC3)n[nH]2)cc1 ZINC000009610945 204376345 /nfs/dbraw/zinc/37/63/45/204376345.db2.gz OUYRILURFCYVDX-UHFFFAOYSA-N 0 3 354.454 2.786 50 0 FFAAHN O=C(Nc1ccc2c(c1)CCC2)[C@H]1CNC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000014751593 204586948 /nfs/dbraw/zinc/58/69/48/204586948.db2.gz USGXZBDDWJOZPX-ZWKOTPCHSA-N 0 3 369.509 2.788 50 0 FFAAHN COCCN(Cc1ccccc1C)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036099876 205004808 /nfs/dbraw/zinc/00/48/08/205004808.db2.gz JUMLDYWYILQVDF-LJQANCHMSA-N 0 3 359.466 2.892 50 0 FFAAHN O=C(Nc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1)c1cccs1 ZINC000048275111 205155421 /nfs/dbraw/zinc/15/54/21/205155421.db2.gz CKMQYCDADPEXKN-HNNXBMFYSA-N 0 3 355.463 2.967 50 0 FFAAHN C[C@@H](NC(=O)NCCCCN1CCN(C)CC1)c1cccc(Cl)c1 ZINC000056398896 205231395 /nfs/dbraw/zinc/23/13/95/205231395.db2.gz NUTQZYINWHQKEW-OAHLLOKOSA-N 0 3 352.910 2.728 50 0 FFAAHN C[C@@H](CNC(=O)NC[C@H]1CCN(c2ccccc2)C1)N1CCC(C)CC1 ZINC000058406591 205274082 /nfs/dbraw/zinc/27/40/82/205274082.db2.gz XBGGRBWCXTYQNX-RBUKOAKNSA-N 0 3 358.530 2.933 50 0 FFAAHN COc1cc(NC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)ccc1NC(C)=O ZINC000061646566 205286292 /nfs/dbraw/zinc/28/62/92/205286292.db2.gz RANSMMGBAZSOBX-ZIAGYGMSSA-N 0 3 362.474 2.896 50 0 FFAAHN CN(C)CCNC(=O)c1ccc(NC(=O)C2CC2)cc1N1CCCCCC1 ZINC000065166006 205321118 /nfs/dbraw/zinc/32/11/18/205321118.db2.gz VPKCRERIZWFONQ-UHFFFAOYSA-N 0 3 372.513 2.707 50 0 FFAAHN OC[C@@H]1N[C@H](c2cc3c(cc2Cl)OCO3)[C@@H]2CN(c3ccccc3)C[C@H]12 ZINC000065506543 205356904 /nfs/dbraw/zinc/35/69/04/205356904.db2.gz DNJLSPKEYNINMH-NVALYEJGSA-N 0 3 372.852 2.827 50 0 FFAAHN C[C@H]1CCCN(CCNC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000065564686 205360309 /nfs/dbraw/zinc/36/03/09/205360309.db2.gz XBZZSIYNJFORQU-IRXDYDNUSA-N 0 3 362.493 2.683 50 0 FFAAHN CCn1c(=O)n(C)nc1[C@H]1CCCN(Cc2ccc(OC)c(C)c2C)C1 ZINC000067643414 205378841 /nfs/dbraw/zinc/37/88/41/205378841.db2.gz QTBHDRLSBYYUML-KRWDZBQOSA-N 0 3 358.486 2.607 50 0 FFAAHN Cc1ccc2ncccc2c1CNC[C@@]1(O)CCCN(CC2CCC2)C1=O ZINC000067643665 205378872 /nfs/dbraw/zinc/37/88/72/205378872.db2.gz XOKHNQHMZYBHLE-QFIPXVFZSA-N 0 3 367.493 2.786 50 0 FFAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)n1 ZINC000067620674 205379179 /nfs/dbraw/zinc/37/91/79/205379179.db2.gz XHPWOMQUFLFECE-UHFFFAOYSA-N 0 3 372.448 2.653 50 0 FFAAHN Cc1ccc(CNC[C@]2(O)CCCN(CCc3ccccc3)C2=O)s1 ZINC000067654628 205379359 /nfs/dbraw/zinc/37/93/59/205379359.db2.gz NDWBYSKLGSFMOO-HXUWFJFHSA-N 0 3 358.507 2.742 50 0 FFAAHN C[C@@H]1CCCCN1C1CN(C(=O)c2cc(COc3ccccc3)n[nH]2)C1 ZINC000067654447 205379997 /nfs/dbraw/zinc/37/99/97/205379997.db2.gz IQSCIBONHIDGAZ-OAHLLOKOSA-N 0 3 354.454 2.688 50 0 FFAAHN Cc1cccc(C[C@@H](C)Nc2nc(-c3ccncc3)nc3c2CCNC3)n1 ZINC000067690558 205384645 /nfs/dbraw/zinc/38/46/45/205384645.db2.gz JDFAKVKBVLLJNT-OAHLLOKOSA-N 0 3 360.465 2.931 50 0 FFAAHN c1nc2sc3c(c2c(NCc2[nH]nc4c2CCCCC4)n1)CCNC3 ZINC000067840719 205395545 /nfs/dbraw/zinc/39/55/45/205395545.db2.gz HTHGZFPDYLBJMP-UHFFFAOYSA-N 0 3 354.483 2.941 50 0 FFAAHN CN(C)CCN1C[C@@H](C(=O)NC(C)(C)c2cccc3ccccc32)CC1=O ZINC000095381860 205746500 /nfs/dbraw/zinc/74/65/00/205746500.db2.gz FRIBAINQBNVJTF-KRWDZBQOSA-N 0 3 367.493 2.601 50 0 FFAAHN CN(C)C[C@@]1(O)CCCN(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)C1 ZINC000096166431 205845368 /nfs/dbraw/zinc/84/53/68/205845368.db2.gz JDJZIFNQIQLBBW-HNNXBMFYSA-N 0 3 363.355 2.765 50 0 FFAAHN COC(=O)C1=C(CN2CCC[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000105971989 206012208 /nfs/dbraw/zinc/01/22/08/206012208.db2.gz NREHERHYQVONSZ-RDTXWAMCSA-N 0 3 357.454 2.508 50 0 FFAAHN Cc1noc(C)c1CNC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000237831588 206109262 /nfs/dbraw/zinc/10/92/62/206109262.db2.gz XAPUUSPIAZRJLP-UHFFFAOYSA-N 0 3 363.483 2.543 50 0 FFAAHN CN1CCN(CCN2CCN(c3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000244734467 132290795 /nfs/dbraw/zinc/29/07/95/132290795.db2.gz NFXZNAIKFAMVNM-QHCPKHFHSA-N 0 3 364.537 2.797 50 0 FFAAHN COc1ccc(-c2n[nH]cc2CN[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000109071151 132306717 /nfs/dbraw/zinc/30/67/17/132306717.db2.gz BXUMLHGUGAHLRE-QGZVFWFLSA-N 0 3 364.453 2.634 50 0 FFAAHN COC(=O)c1nc2ccccc2nc1N1CCN(C2CCCCC2)CC1 ZINC000035479338 132936667 /nfs/dbraw/zinc/93/66/67/132936667.db2.gz SKEXWAOOYSUMCI-UHFFFAOYSA-N 0 3 354.454 2.871 50 0 FFAAHN Cc1ccc2[nH]c([C@@H]3CCCN(c4nc(C)nc5c4CCNC5)C3)nc2c1 ZINC000071745394 136139803 /nfs/dbraw/zinc/13/98/03/136139803.db2.gz MIBXPZDHPJDQPV-OAHLLOKOSA-N 0 3 362.481 2.999 50 0 FFAAHN Cc1ccc2nc([C@@H]3CCCN(c4nc(C)nc5c4CCNC5)C3)[nH]c2c1 ZINC000071745394 136139804 /nfs/dbraw/zinc/13/98/04/136139804.db2.gz MIBXPZDHPJDQPV-OAHLLOKOSA-N 0 3 362.481 2.999 50 0 FFAAHN Cc1nc2c(c(N3CCC[C@H](Cc4nc5ccccc5[nH]4)C3)n1)CCNC2 ZINC000071746639 136139993 /nfs/dbraw/zinc/13/99/93/136139993.db2.gz NMSBOLXEVBUVQU-OAHLLOKOSA-N 0 3 362.481 2.766 50 0 FFAAHN CCn1cc(CN2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cn1 ZINC000023375515 136152697 /nfs/dbraw/zinc/15/26/97/136152697.db2.gz WLIJDMRSCCHCBE-OAQYLSRUSA-N 0 3 367.541 2.998 50 0 FFAAHN COc1ccccc1CN1CCC(n2cc(C(=O)NCC(C)C)nn2)CC1 ZINC000012456671 263371182 /nfs/dbraw/zinc/37/11/82/263371182.db2.gz OPBDFRYWQRKXDB-UHFFFAOYSA-N 0 3 371.485 2.510 50 0 FFAAHN CCNc1cc(N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)nc(C)n1 ZINC000065361848 506288474 /nfs/dbraw/zinc/28/84/74/506288474.db2.gz NZIOEYWAPYMANH-UHFFFAOYSA-N 0 3 370.457 2.580 50 0 FFAAHN O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCN(c2ccncc2)CC1 ZINC000008429306 506651520 /nfs/dbraw/zinc/65/15/20/506651520.db2.gz UQSYAIDJDOZYIZ-HWKANZROSA-N 0 3 365.433 2.605 50 0 FFAAHN Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCN(CC(C)C)CC2 ZINC000011974983 506805912 /nfs/dbraw/zinc/80/59/12/506805912.db2.gz AHQJWAJOTBTSOE-MRXNPFEDSA-N 0 3 355.486 2.592 50 0 FFAAHN O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN1CC1CCCCC1 ZINC000012223727 506838341 /nfs/dbraw/zinc/83/83/41/506838341.db2.gz LZEZWMVCLHTUQO-GOSISDBHSA-N 0 3 354.458 2.646 50 0 FFAAHN CN(C(=O)CC[C@H]1CCCN(C(=O)C2CCCC2)C1)C1CCN(C)CC1 ZINC000012456328 506868314 /nfs/dbraw/zinc/86/83/14/506868314.db2.gz RIENIWYMKZNSQX-QGZVFWFLSA-N 0 3 363.546 2.748 50 0 FFAAHN CCOc1ncccc1C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000012558014 506877665 /nfs/dbraw/zinc/87/76/65/506877665.db2.gz CZKYNNYULNTMFL-UHFFFAOYSA-N 0 3 354.454 2.875 50 0 FFAAHN O=C(NC1CCCC1)c1cn([C@H]2CCCN(Cc3cccs3)C2)nn1 ZINC000015070050 507016241 /nfs/dbraw/zinc/01/62/41/507016241.db2.gz VYARNECLBCIGED-HNNXBMFYSA-N 0 3 359.499 2.849 50 0 FFAAHN Cc1c[nH]c(-c2c(-c3ccccc3)ncn2CCN2CCC[C@H](O)C2)n1 ZINC000067920216 507051683 /nfs/dbraw/zinc/05/16/83/507051683.db2.gz IISHLAZPPRUPGD-KRWDZBQOSA-N 0 3 351.454 2.705 50 0 FFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)N[C@H]1COc2ccccc2C1 ZINC000015787217 507060092 /nfs/dbraw/zinc/06/00/92/507060092.db2.gz YTAYGLIKHYKUJQ-HXUWFJFHSA-N 0 3 365.477 2.954 50 0 FFAAHN Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)C1(N)CCC1)CCO2 ZINC000067983508 507074018 /nfs/dbraw/zinc/07/40/18/507074018.db2.gz AZFYAIFLIRENEN-UHFFFAOYSA-N 0 3 352.434 2.970 50 0 FFAAHN COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000018137605 507140978 /nfs/dbraw/zinc/14/09/78/507140978.db2.gz OFOOEXYYRKFGSE-KRWDZBQOSA-N 0 3 358.825 2.813 50 0 FFAAHN c1ccc(CN2CCN(C3CCN(Cc4cccnc4)CC3)CC2)cc1 ZINC000019362091 507167831 /nfs/dbraw/zinc/16/78/31/507167831.db2.gz DMSITTGOFICNAT-UHFFFAOYSA-N 0 3 350.510 2.864 50 0 FFAAHN COc1ccc(N2C(=O)[C@H](CN3CCN(C)CC3)[C@H]2c2ccccc2)cc1 ZINC000020388049 507219385 /nfs/dbraw/zinc/21/93/85/507219385.db2.gz PDQXYGHDFRABEL-NHCUHLMSSA-N 0 3 365.477 2.647 50 0 FFAAHN Cc1ccc(C)c(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c1 ZINC000021794992 507268224 /nfs/dbraw/zinc/26/82/24/507268224.db2.gz UTLAJIFNQBNHBN-UHFFFAOYSA-N 0 3 368.485 2.822 50 0 FFAAHN COCc1ccc(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)o1 ZINC000022853424 507314843 /nfs/dbraw/zinc/31/48/43/507314843.db2.gz WDCVFPORFRCSKX-GOSISDBHSA-N 0 3 350.503 2.875 50 0 FFAAHN Cc1ccccc1CN1CCN(Cc2cc(CC(C)C)[nH]n2)C[C@@H]1CCO ZINC000022851316 507315929 /nfs/dbraw/zinc/31/59/29/507315929.db2.gz XZVZHKFGQOWJKD-QFIPXVFZSA-N 0 3 370.541 2.985 50 0 FFAAHN Cc1ccc(C)c(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c1 ZINC000023128976 507332146 /nfs/dbraw/zinc/33/21/46/507332146.db2.gz FOPXUDOUFOSDCF-KRWDZBQOSA-N 0 3 369.513 2.786 50 0 FFAAHN CCOC(=O)N1CCN([C@H]2CCCN(C/C(C)=C/c3ccco3)C2)CC1 ZINC000023375016 507349068 /nfs/dbraw/zinc/34/90/68/507349068.db2.gz OZZRPBKEXVFHJK-UMADGWCESA-N 0 3 361.486 2.921 50 0 FFAAHN C[C@@]1(CO)CCC[N@H+](Cc2ccccc2-c2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000023619975 507362829 /nfs/dbraw/zinc/36/28/29/507362829.db2.gz QADQDWOOQIWLIY-LJQANCHMSA-N 0 3 363.408 2.969 50 0 FFAAHN C[C@@]1(CO)CCC[N@@H+](Cc2ccccc2-c2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000023619975 507362831 /nfs/dbraw/zinc/36/28/31/507362831.db2.gz QADQDWOOQIWLIY-LJQANCHMSA-N 0 3 363.408 2.969 50 0 FFAAHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000058500612 507429701 /nfs/dbraw/zinc/42/97/01/507429701.db2.gz LKZWBSWLAGAUKG-DAYGRLMNSA-N 0 3 354.491 2.993 50 0 FFAAHN CCN1CCc2c(cccc2-n2nnc(C(=O)N3CCCCC3)c2C)C1 ZINC000069570280 507518826 /nfs/dbraw/zinc/51/88/26/507518826.db2.gz YMARSUGRURNMHY-UHFFFAOYSA-N 0 3 353.470 2.580 50 0 FFAAHN CCN(CC)[C@@H](CNc1nc(C)nc2c1CCN(C(C)=O)C2)c1ccco1 ZINC000071774836 507716660 /nfs/dbraw/zinc/71/66/60/507716660.db2.gz GFFMDTRTTBPCJG-SFHVURJKSA-N 0 3 371.485 2.778 50 0 FFAAHN COc1c[nH]c(CN2CCC[C@H](N(C)CCc3ccccc3)C2)cc1=O ZINC000072120693 507749742 /nfs/dbraw/zinc/74/97/42/507749742.db2.gz NHSOBCZEZKGGTK-IBGZPJMESA-N 0 3 355.482 2.935 50 0 FFAAHN O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H](N2CCC(CO)CC2)C1 ZINC000072147890 507758207 /nfs/dbraw/zinc/75/82/07/507758207.db2.gz YSINPPCRPLXCAC-SFHVURJKSA-N 0 3 369.465 2.651 50 0 FFAAHN CCN(CCO)C(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072172682 507770095 /nfs/dbraw/zinc/77/00/95/507770095.db2.gz MZLUOQKTEXFDCB-UHFFFAOYSA-N 0 3 366.505 2.539 50 0 FFAAHN O=C(NCCCCN1CCOCC1)c1ccc(CN2CCCCC2)s1 ZINC000072301560 507773242 /nfs/dbraw/zinc/77/32/42/507773242.db2.gz LAXRVSLECAYQOY-UHFFFAOYSA-N 0 3 365.543 2.576 50 0 FFAAHN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCCN(C)Cc1ccccc1 ZINC000072309552 507774209 /nfs/dbraw/zinc/77/42/09/507774209.db2.gz OUUDKKKQNBFGBW-MRXNPFEDSA-N 0 3 363.502 2.738 50 0 FFAAHN CN(C)CCOC1CCN(C(=O)c2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072407340 507783696 /nfs/dbraw/zinc/78/36/96/507783696.db2.gz BBNYYMBTDFWWTI-UHFFFAOYSA-N 0 3 362.514 2.573 50 0 FFAAHN CN(Cc1csc(-c2ccccc2)n1)C(=O)c1n[nH]c2c1CN(C)CC2 ZINC000072408884 507785014 /nfs/dbraw/zinc/78/50/14/507785014.db2.gz AEVFSMZCUUEZQJ-UHFFFAOYSA-N 0 3 367.478 2.793 50 0 FFAAHN NC(=O)COc1cccc(CN2CCC[C@H](C(=O)Cc3ccccc3)C2)c1 ZINC000072410296 507785379 /nfs/dbraw/zinc/78/53/79/507785379.db2.gz MRYJMLNQQQBPMZ-IBGZPJMESA-N 0 3 366.461 2.575 50 0 FFAAHN Cc1cccc(OCC(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)c1C ZINC000072410685 507785708 /nfs/dbraw/zinc/78/57/08/507785708.db2.gz SZDORTXENULCPI-GOSISDBHSA-N 0 3 360.498 2.642 50 0 FFAAHN O=C(CCc1cc2n(n1)CCCNC2)N1CCCC[C@H]1c1nccs1 ZINC000072419403 507787162 /nfs/dbraw/zinc/78/71/62/507787162.db2.gz PFYDCXINIGMBRV-INIZCTEOSA-N 0 3 359.499 2.519 50 0 FFAAHN Cc1nc2cc(C(=O)NCc3c(C)ncc4c3CCNC4)ccc2s1 ZINC000072427380 507789299 /nfs/dbraw/zinc/78/92/99/507789299.db2.gz MYMQRJXAIQZAAP-UHFFFAOYSA-N 0 3 352.463 2.884 50 0 FFAAHN COc1cccc(CN2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)c1 ZINC000072433301 507790567 /nfs/dbraw/zinc/79/05/67/507790567.db2.gz AADRQBDHOCSJGR-SFHVURJKSA-N 0 3 369.513 2.799 50 0 FFAAHN O=C(NCCCN1CCc2ccccc2C1)c1cc2ccccc2oc1=O ZINC000029839087 507792095 /nfs/dbraw/zinc/79/20/95/507792095.db2.gz CCKXTTWLKBXKCS-UHFFFAOYSA-N 0 3 362.429 2.971 50 0 FFAAHN O=C1CC[C@H]2CN(Cc3ccccc3Cl)CC[C@H]2N1CCCCO ZINC000072457321 507793575 /nfs/dbraw/zinc/79/35/75/507793575.db2.gz HFUUTYKNQSVQSJ-FUHWJXTLSA-N 0 3 350.890 2.925 50 0 FFAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000079057371 507928812 /nfs/dbraw/zinc/92/88/12/507928812.db2.gz VTFFHMHWHJTJQO-LRDDRELGSA-N 0 3 356.445 2.983 50 0 FFAAHN C[C@H](C(=O)N1CCC2(CCC(=O)N(CCN(C)C)C2)CC1)c1ccccc1 ZINC000091365136 507982054 /nfs/dbraw/zinc/98/20/54/507982054.db2.gz ANGYOVFGLDSGBS-SFHVURJKSA-N 0 3 371.525 2.583 50 0 FFAAHN C[C@@H](C1CCN(C(=O)c2ccc3occc3c2)CC1)N1CCN(C)CC1 ZINC000091678485 508001593 /nfs/dbraw/zinc/00/15/93/508001593.db2.gz VBILJDHVVGPSBU-INIZCTEOSA-N 0 3 355.482 2.921 50 0 FFAAHN Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)o1 ZINC000091820043 508015519 /nfs/dbraw/zinc/01/55/19/508015519.db2.gz KHBATPFGYUPMIY-QFBILLFUSA-N 0 3 365.477 2.995 50 0 FFAAHN Cc1ncncc1C(=O)N1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 ZINC000091943617 508026271 /nfs/dbraw/zinc/02/62/71/508026271.db2.gz OYFLXURKDGAROO-VQTJNVASSA-N 0 3 364.493 2.954 50 0 FFAAHN O=C1CCC2(CCN(Cc3ccc4cc(F)ccc4n3)CC2)CN1CCO ZINC000092066008 508039339 /nfs/dbraw/zinc/03/93/39/508039339.db2.gz DJPGSBKUEPYCKY-UHFFFAOYSA-N 0 3 371.456 2.571 50 0 FFAAHN CC(C)OCCN1CCC(NC(=O)C2=NO[C@H](c3ccccc3)C2)CC1 ZINC000075092008 508081735 /nfs/dbraw/zinc/08/17/35/508081735.db2.gz OOFYYCHOIHMSBW-IBGZPJMESA-N 0 3 359.470 2.510 50 0 FFAAHN COc1ccc2c(c1)CCN(Cc1ccc(OCC(N)=O)c(Cl)c1)CC2 ZINC000095360170 508176321 /nfs/dbraw/zinc/17/63/21/508176321.db2.gz BFHQNPXTLJEQIJ-UHFFFAOYSA-N 0 3 374.868 2.814 50 0 FFAAHN CN(C)c1ncc(CN2C[C@H]3CC[C@H](CN3Cc3ccccc3)C2)cn1 ZINC000095363718 508176863 /nfs/dbraw/zinc/17/68/63/508176863.db2.gz FCKPWSIASZLXNY-AZUAARDMSA-N 0 3 351.498 2.639 50 0 FFAAHN O=C(NCCc1cn2ccsc2n1)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000095390779 508183459 /nfs/dbraw/zinc/18/34/59/508183459.db2.gz RILHZUKYLGQDHM-CQSZACIVSA-N 0 3 358.467 2.560 50 0 FFAAHN CN(Cc1nc(-c2ccco2)nn1C1CCN(C)CC1)Cc1ccccn1 ZINC000096153083 508208719 /nfs/dbraw/zinc/20/87/19/508208719.db2.gz MQOGJTZPOSKFAX-UHFFFAOYSA-N 0 3 366.469 2.832 50 0 FFAAHN CCOc1ccc(NC(=O)NCCN2CCC[C@H](CO)C2)cc1Cl ZINC000096161926 508208792 /nfs/dbraw/zinc/20/87/92/508208792.db2.gz MTCVTHLGPPNGQY-ZDUSSCGKSA-N 0 3 355.866 2.565 50 0 FFAAHN Cc1cccc(-n2nc(CCC(C)C)nc2-c2n[nH]c3c2CN(C)CC3)n1 ZINC000097437029 508224876 /nfs/dbraw/zinc/22/48/76/508224876.db2.gz GXRZTDFTAYFQAT-UHFFFAOYSA-N 0 3 365.485 2.937 50 0 FFAAHN C[C@H](C1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1)N1CCN(C)CC1 ZINC000082171039 508227507 /nfs/dbraw/zinc/22/75/07/508227507.db2.gz OSEFNJAHBMSDFO-CQSZACIVSA-N 0 3 367.896 2.967 50 0 FFAAHN Fc1ccc(-n2cc(CN3CCCO[C@@H](CN4CCCC4)C3)cn2)cc1 ZINC000097717059 508229069 /nfs/dbraw/zinc/22/90/69/508229069.db2.gz LEPNJXQJQAVVMD-FQEVSTJZSA-N 0 3 358.461 2.698 50 0 FFAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2c[nH]c(=O)cc2O)cc1 ZINC000077437482 508315404 /nfs/dbraw/zinc/31/54/04/508315404.db2.gz REQHATYZVGNVNC-QGZVFWFLSA-N 0 3 355.438 2.510 50 0 FFAAHN CCn1nc(C)cc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000077437746 508315549 /nfs/dbraw/zinc/31/55/49/508315549.db2.gz VSABZFWJQQTNEQ-UHFFFAOYSA-N 0 3 354.498 2.992 50 0 FFAAHN Cc1ccc([C@@H]2CN(C(=O)c3cnc4ccnn4c3C)C[C@H]2N(C)C)cc1 ZINC000077487364 508322927 /nfs/dbraw/zinc/32/29/27/508322927.db2.gz ZGEQHVMZBUNXPZ-RBUKOAKNSA-N 0 3 363.465 2.516 50 0 FFAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)CCN2CCCC2=O)cc1 ZINC000077504703 508325144 /nfs/dbraw/zinc/32/51/44/508325144.db2.gz AJTCDVYNSUEKLW-LJQANCHMSA-N 0 3 357.498 2.814 50 0 FFAAHN COc1ccc(F)cc1C(=O)N1CCCO[C@@H](CN2CCCCC2)C1 ZINC000220453596 509300156 /nfs/dbraw/zinc/30/01/56/509300156.db2.gz AMHOZZCSGYMVEW-INIZCTEOSA-N 0 3 350.434 2.551 50 0 FFAAHN CN1CCC(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)CC1 ZINC000222891692 509325803 /nfs/dbraw/zinc/32/58/03/509325803.db2.gz QJXUBHLALRCGOH-OUNSHVDWSA-N 0 3 353.466 2.505 50 0 FFAAHN COCc1nc(C)c(CNC(=O)[C@H]2CCCN(Cc3ccco3)C2)s1 ZINC000223714025 509345942 /nfs/dbraw/zinc/34/59/42/509345942.db2.gz QKLWDYPSKAJLBF-AWEZNQCLSA-N 0 3 363.483 2.719 50 0 FFAAHN C[C@@H](O)c1cc2n(n1)CCN(Cc1cc(CN3CCCCC3)cs1)C2 ZINC000223865329 509349774 /nfs/dbraw/zinc/34/97/74/509349774.db2.gz MTKDBIOGNNSURP-OAHLLOKOSA-N 0 3 360.527 3.000 50 0 FFAAHN CCOC(=O)[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000225603385 509378636 /nfs/dbraw/zinc/37/86/36/509378636.db2.gz DJJSWRXPOBMRJY-GRYCIOLGSA-N 0 3 371.275 2.953 50 0 FFAAHN CCN(CC)[C@@H](CNC(=O)Nc1cc(N(C)C)ncn1)c1ccsc1 ZINC000225849834 509391111 /nfs/dbraw/zinc/39/11/11/509391111.db2.gz MTFKXZXFRFUTFU-AWEZNQCLSA-N 0 3 362.503 2.809 50 0 FFAAHN CC(C)N1C[C@]2(C)CN(C(=O)c3c[nH]c4ccccc34)C[C@](C)(C1)[C@H]2O ZINC000252448757 509837294 /nfs/dbraw/zinc/83/72/94/509837294.db2.gz HTTGYFDOLYVTKZ-WKCHPHFGSA-N 0 3 355.482 2.721 50 0 biogenic FFAAHN O=C(CCN1CCN(C2CCSCC2)CC1)Nc1cc(F)ccc1F ZINC000240128347 509840152 /nfs/dbraw/zinc/84/01/52/509840152.db2.gz IQEIRJMAVMSCDH-UHFFFAOYSA-N 0 3 369.481 2.807 50 0 FFAAHN CC1CCN(C[C@H](O)CNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000252673317 509858728 /nfs/dbraw/zinc/85/87/28/509858728.db2.gz QZDZTCUOUZEBOU-SQNIBIBYSA-N 0 3 350.890 2.653 50 0 FFAAHN COc1ccccc1OCCCN1CCN(C2CCSCC2)CC1 ZINC000244574820 509860449 /nfs/dbraw/zinc/86/04/49/509860449.db2.gz CRZLWHYDKHIYDY-UHFFFAOYSA-N 0 3 350.528 2.977 50 0 FFAAHN CN(CCC(=O)Nc1nnc(C2CC2)s1)C[C@H]1COc2ccccc2O1 ZINC000244875036 509875029 /nfs/dbraw/zinc/87/50/29/509875029.db2.gz XLMOSSRBUJDVMU-ZDUSSCGKSA-N 0 3 374.466 2.516 50 0 FFAAHN C[C@@H]1CCc2nc(NC(=O)CN(C)CCCc3nccn3C)sc2C1 ZINC000244884303 509876493 /nfs/dbraw/zinc/87/64/93/509876493.db2.gz YJLYWBKNGKHNPN-CYBMUJFWSA-N 0 3 361.515 2.505 50 0 FFAAHN COc1cccc(CN(C[C@@H](O)COC(C)(C)C)C[C@H]2CCCO2)c1 ZINC000245281283 509886162 /nfs/dbraw/zinc/88/61/62/509886162.db2.gz XAGUPTFYZWMLEZ-IEBWSBKVSA-N 0 3 351.487 2.852 50 0 FFAAHN CCOc1cc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)ccc1OC ZINC000265184382 509907028 /nfs/dbraw/zinc/90/70/28/509907028.db2.gz XEULZHMINFMIPK-KRWDZBQOSA-N 0 3 361.486 2.864 50 0 FFAAHN CS(=O)(=O)CC1(CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000181225419 510310191 /nfs/dbraw/zinc/31/01/91/510310191.db2.gz CWVUDHJXTIDABK-AWEZNQCLSA-N 0 3 363.401 2.987 50 0 FFAAHN CN(C)CCN1C(=O)CC[C@@H]1CCNC(=O)c1cc2ccccc2s1 ZINC000299757728 511670108 /nfs/dbraw/zinc/67/01/08/511670108.db2.gz MTAPCKVOLMQCPY-OAHLLOKOSA-N 0 3 359.495 2.574 50 0 FFAAHN COc1cccc(Oc2ccc(NC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)cc2)c1 ZINC000299760260 511671880 /nfs/dbraw/zinc/67/18/80/511671880.db2.gz IMYCIZRFIHPQIM-OALUTQOASA-N 0 3 371.437 2.626 50 0 FFAAHN COc1ccc(CNC(=O)C2CCN(CCc3c(C)n[nH]c3C)CC2)cc1 ZINC000299771524 511674698 /nfs/dbraw/zinc/67/46/98/511674698.db2.gz SXNVCIIKADLEJX-UHFFFAOYSA-N 0 3 370.497 2.606 50 0 FFAAHN Cc1cc(=O)oc2cc(NC(=O)N(CCN(C)C)C[C@H]3CCCO3)ccc12 ZINC000299779229 511677363 /nfs/dbraw/zinc/67/73/63/511677363.db2.gz DQAMBLWCMFBCRF-MRXNPFEDSA-N 0 3 373.453 2.676 50 0 FFAAHN O=C(Nc1ccccc1OCc1ccccn1)N1CCN2CCC[C@H]2C1 ZINC000299792577 511682404 /nfs/dbraw/zinc/68/24/04/511682404.db2.gz GETJULIRWREQBN-KRWDZBQOSA-N 0 3 352.438 2.973 50 0 FFAAHN CN1CCC(O)(CNC(=O)Nc2cccc(Cc3ccccc3)c2)CC1 ZINC000299795320 511684113 /nfs/dbraw/zinc/68/41/13/511684113.db2.gz MAUVHGAEYFTRJG-UHFFFAOYSA-N 0 3 353.466 2.856 50 0 FFAAHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cc(F)c(F)cc1Cl ZINC000299803092 511686281 /nfs/dbraw/zinc/68/62/81/511686281.db2.gz WJCCAZFTEINIMW-LBPRGKRZSA-N 0 3 358.816 2.991 50 0 FFAAHN Cc1ccccc1-n1cc(CNC(=O)N2CC(N3CCCC[C@@H]3C)C2)cn1 ZINC000426360226 513913282 /nfs/dbraw/zinc/91/32/82/513913282.db2.gz ZLDCCGJRXKXBAT-KRWDZBQOSA-N 0 3 367.497 2.949 50 0 FFAAHN C[C@@H](O)c1ccc(-c2ccc(C(=O)NCC3(O)CCN(C)CC3)cc2)cc1 ZINC000426379630 513921526 /nfs/dbraw/zinc/92/15/26/513921526.db2.gz FICSDWNXNRRDPN-MRXNPFEDSA-N 0 3 368.477 2.593 50 0 FFAAHN Cc1cc(=O)c(C(=O)NCC[C@@H]2CCCCN2Cc2ccccc2)cn1C ZINC000426401957 513928902 /nfs/dbraw/zinc/92/89/02/513928902.db2.gz POXWNYITGKACRG-IBGZPJMESA-N 0 3 367.493 2.868 50 0 FFAAHN Cc1ccc(-c2cccc(C(=O)N3CCN(CCN(C)C)CC3)c2)c(C)n1 ZINC000426517794 513967194 /nfs/dbraw/zinc/96/71/94/513967194.db2.gz GLPZQRDWVABDPA-UHFFFAOYSA-N 0 3 366.509 2.685 50 0 FFAAHN CN1CC[C@@H](NC(=O)N2CCC(F)(F)CC2)[C@@H](Cc2ccccc2)C1 ZINC000426615639 513995941 /nfs/dbraw/zinc/99/59/41/513995941.db2.gz ZFDWIQCOSRYCDN-DLBZAZTESA-N 0 3 351.441 2.990 50 0 FFAAHN CCC(CC)Nc1ccncc1NC(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC000529412158 517134014 /nfs/dbraw/zinc/13/40/14/517134014.db2.gz LWBUPRPOVQGTLR-UHFFFAOYSA-N 0 3 368.437 2.712 50 0 FFAAHN C[C@H](CNC(=O)NCC1(O)CCN(C)CC1)Cc1cccc2ccccc21 ZINC000584896912 518527900 /nfs/dbraw/zinc/52/79/00/518527900.db2.gz FDXRIQHPCXXPFG-KRWDZBQOSA-N 0 3 369.509 2.774 50 0 FFAAHN COCCN(Cc1ccccc1F)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000584900204 518530378 /nfs/dbraw/zinc/53/03/78/518530378.db2.gz DYRLVIGSWMWSJN-MRXNPFEDSA-N 0 3 351.466 2.857 50 0 FFAAHN CCc1csc(CNC(=O)c2ccc(N(C)C[C@H]3CCCN3C)nc2)n1 ZINC000020540961 522102221 /nfs/dbraw/zinc/10/22/21/522102221.db2.gz WKZVJFAPOBGEJZ-MRXNPFEDSA-N 0 3 373.526 2.561 50 0 FFAAHN CO[C@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)Nc2cccc(N(C)C)c2C)C1 ZINC000626480986 522221523 /nfs/dbraw/zinc/22/15/23/522221523.db2.gz FGWJGVJPCMLQSJ-VDZJLULYSA-N 0 3 360.502 2.824 50 0 FFAAHN CCn1c(CN2CCCC2)nnc1C1CCN(Cc2cccc(O)c2)CC1 ZINC000082087324 523187672 /nfs/dbraw/zinc/18/76/72/523187672.db2.gz DMJDHUCYJGKIPA-UHFFFAOYSA-N 0 3 369.513 2.979 50 0 FFAAHN Cc1cc(C)n(-c2cccc(CN3CCC[C@H](N4CCOCC4)C3)c2)n1 ZINC000020783985 524491771 /nfs/dbraw/zinc/49/17/71/524491771.db2.gz RSSHGNWIDQMDPL-NRFANRHFSA-N 0 3 354.498 2.786 50 0 FFAAHN COc1cccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)c1 ZINC000019841521 526169866 /nfs/dbraw/zinc/16/98/66/526169866.db2.gz KUFJVZDBWYVQAF-UHFFFAOYSA-N 0 3 353.466 2.842 50 0 FFAAHN c1c(CNC2CCN(c3ccc4c(c3)CCC4)CC2)nn2c1CNCCC2 ZINC000082083106 526400505 /nfs/dbraw/zinc/40/05/05/526400505.db2.gz PDGZBWOSKSQUNN-UHFFFAOYSA-N 0 3 365.525 2.624 50 0 FFAAHN O=C(CCCN1CCCC1=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000091444694 526432988 /nfs/dbraw/zinc/43/29/88/526432988.db2.gz CKJFRWCKJXHQLO-VQTJNVASSA-N 0 3 369.509 2.512 50 0 FFAAHN Cc1noc(C)c1CCC(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 ZINC000082137002 526487467 /nfs/dbraw/zinc/48/74/67/526487467.db2.gz QIBQPSCXCWLGLA-UHFFFAOYSA-N 0 3 373.501 2.599 50 0 FFAAHN O=C1CC[C@]2(CCCN(Cc3cccc(O)c3)C2)CN1CCc1c[nH]cn1 ZINC000082120576 526998344 /nfs/dbraw/zinc/99/83/44/526998344.db2.gz GOLLHLLENKCRNF-NRFANRHFSA-N 0 3 368.481 2.563 50 0 FFAAHN Cn1c(Cn2cccn2)nnc1C1CCN(C/C=C/c2ccccc2)CC1 ZINC000091693648 527071204 /nfs/dbraw/zinc/07/12/04/527071204.db2.gz WFMQMWAUJHBCNB-WEVVVXLNSA-N 0 3 362.481 2.953 50 0 FFAAHN CCCc1cnc(C)nc1N1CCC[C@]2(CCC(=O)N(CCN(C)C)C2)C1 ZINC000072457916 535437059 /nfs/dbraw/zinc/43/70/59/535437059.db2.gz NEBKFGGBZKZDFF-OAQYLSRUSA-N 0 3 373.545 2.508 50 0 FFAAHN CCOc1cc2c(cc1/C=C\C(=O)N1CCC[C@@H]1CN(C)C)O[C@H](C)C2 ZINC000104265115 570858491 /nfs/dbraw/zinc/85/84/91/570858491.db2.gz HNSOQMFSUGUPHJ-KDZRNFMESA-N 0 3 358.482 2.975 50 0 FFAAHN CC1CCN([C@@H](CNC(=O)N2CC[C@@](F)(CO)C2)c2cccs2)CC1 ZINC000332727633 729804139 /nfs/dbraw/zinc/80/41/39/729804139.db2.gz RLFJDYWNAVUJDU-YJBOKZPZSA-N 0 3 369.506 2.637 50 0 FFAAHN CC1CCN([C@@H](CNC(=O)N2CC[C@](F)(CO)C2)c2cccs2)CC1 ZINC000332727631 729804213 /nfs/dbraw/zinc/80/42/13/729804213.db2.gz RLFJDYWNAVUJDU-MAUKXSAKSA-N 0 3 369.506 2.637 50 0 FFAAHN CC[C@@H](Cc1ccco1)N1CCOC2(CCN(C(=O)c3ccon3)CC2)C1 ZINC000822628706 998916528 /nfs/dbraw/zinc/91/65/28/998916528.db2.gz GBSFBYUDCZVIQA-INIZCTEOSA-N 0 3 373.453 2.596 50 0 FFAAHN COCc1noc(C[C@H]2CCOC3(CCN(Cc4ccncc4)CC3)C2)n1 ZINC000581804371 999947640 /nfs/dbraw/zinc/94/76/40/999947640.db2.gz NBKUPIHFFJJICB-QGZVFWFLSA-N 0 3 372.469 2.615 50 0 FFAAHN O=C(Nc1ccccc1CN1CCCCC1)c1cccc(-n2cnnc2)n1 ZINC000952861471 1010996184 /nfs/dbraw/zinc/99/61/84/1010996184.db2.gz AXTXVBVIJZDIPA-UHFFFAOYSA-N 0 3 362.437 2.901 50 0 FFAAHN Cn1c2ccccc2nc1CN1CC[C@]2(C1)CCCN(CC1CC1)C2=O ZINC000015062909 1021785889 /nfs/dbraw/zinc/78/58/89/1021785889.db2.gz QNUYCFXYRJGLBH-NRFANRHFSA-N 0 3 352.482 2.798 50 0 FFAAHN CSc1ccc(CN2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)cc1 ZINC000015071785 1021788705 /nfs/dbraw/zinc/78/87/05/1021788705.db2.gz TXAKZTKMIKSLNM-UHFFFAOYSA-N 0 3 371.510 2.729 50 0 FFAAHN CCN1CCC(N(CCc2ccccn2)C(=O)c2cc(=O)cc(C)o2)CC1 ZINC001506403105 1059493671 /nfs/dbraw/zinc/49/36/71/1059493671.db2.gz VXFQWABHCUPASV-UHFFFAOYSA-N 0 3 369.465 2.512 50 0 FFAAHN Cc1nc2oc3c(ncnc3NCCN(C)C)c2c2c1COC(C)(C)C2 ZINC000002434436 204039056 /nfs/dbraw/zinc/03/90/56/204039056.db2.gz NMHQAMXYZDWUDU-UHFFFAOYSA-N 0 3 355.442 2.904 50 0 FFAAHN CN(CCNC(=O)c1ccc(N2CCCC2=O)cc1)Cc1ccccc1 ZINC000004991414 204183879 /nfs/dbraw/zinc/18/38/79/204183879.db2.gz QWSRSQRHDIDFQP-UHFFFAOYSA-N 0 3 351.450 2.675 50 0 FFAAHN CCOc1ccc2[nH]c(SCC(=O)NC3CCN(CC)CC3)nc2c1 ZINC000009966830 204386899 /nfs/dbraw/zinc/38/68/99/204386899.db2.gz HGWLOANUTPVZRJ-UHFFFAOYSA-N 0 3 362.499 2.654 50 0 FFAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4c[nH]nc4C)C3)C2)c1 ZINC000012316334 204450131 /nfs/dbraw/zinc/45/01/31/204450131.db2.gz VNFDGUFVMQYKNI-NRFANRHFSA-N 0 3 368.481 2.855 50 0 FFAAHN Cc1nn(C)c(Cl)c1CN1CCN(C2CCCCC2)[C@H](CCO)C1 ZINC000036385748 205013792 /nfs/dbraw/zinc/01/37/92/205013792.db2.gz WWXBMDXAXIVZHY-MRXNPFEDSA-N 0 3 354.926 2.583 50 0 FFAAHN COc1cn(-c2ccccc2)nc1C(=O)NCCN1C[C@@H](C)C[C@H](C)C1 ZINC000040107591 205055486 /nfs/dbraw/zinc/05/54/86/205055486.db2.gz KICSYGFYMHMXDS-HOTGVXAUSA-N 0 3 356.470 2.589 50 0 FFAAHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2CCN(C(=O)C3CC3)CC2)C1 ZINC000054226944 205199429 /nfs/dbraw/zinc/19/94/29/205199429.db2.gz QNVMJSAATSRWSN-UZLBHIALSA-N 0 3 369.509 2.587 50 0 FFAAHN CSc1ccc2c(C)cc(NCCN3CCC[C@H](C(N)=O)C3)nc2c1 ZINC000055042259 205205335 /nfs/dbraw/zinc/20/53/35/205205335.db2.gz MIPXQBHFHNGNAP-AWEZNQCLSA-N 0 3 358.511 2.874 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)CCSc1ccc2c(c1)OCCO2 ZINC000055357709 205216022 /nfs/dbraw/zinc/21/60/22/205216022.db2.gz NGSMZEYUEIBCQS-CQSZACIVSA-N 0 3 350.484 2.541 50 0 FFAAHN C[C@H](NC(=O)NCCCCN1CCN(C)CC1)c1cccc(Cl)c1 ZINC000056398895 205231434 /nfs/dbraw/zinc/23/14/34/205231434.db2.gz NUTQZYINWHQKEW-HNNXBMFYSA-N 0 3 352.910 2.728 50 0 FFAAHN COC(=O)C1C(CNC2CCCCC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000057731165 205243777 /nfs/dbraw/zinc/24/37/77/205243777.db2.gz MJLNCYXOGXIYKQ-SFHVURJKSA-N 0 3 357.454 2.698 50 0 FFAAHN CSc1nnc(CC2CCN(Cc3cccc4c3OCO4)CC2)n1C ZINC000055414543 205219482 /nfs/dbraw/zinc/21/94/82/205219482.db2.gz JCGGHBJOYWVLRH-UHFFFAOYSA-N 0 3 360.483 2.720 50 0 FFAAHN Cc1ccc([C@@H](CNC(=O)[C@H](C)NC(=O)c2cccs2)N(C)C)cc1 ZINC000058195643 205258944 /nfs/dbraw/zinc/25/89/44/205258944.db2.gz LWXXNYPMMUJZGE-GOEBONIOSA-N 0 3 359.495 2.594 50 0 FFAAHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Cc1csc(-c2cccnc2)n1 ZINC000058290993 205268532 /nfs/dbraw/zinc/26/85/32/205268532.db2.gz MUFNKSOPHQVVDX-HUUCEWRRSA-N 0 3 358.511 2.984 50 0 FFAAHN CC(=O)Nc1cccc2c(C(=O)NCCN3CCCCCC3)ccnc12 ZINC000065178178 205322442 /nfs/dbraw/zinc/32/24/42/205322442.db2.gz IGBBUKVNJJYZKZ-UHFFFAOYSA-N 0 3 354.454 2.799 50 0 FFAAHN O=C(Nc1ccccc1)c1cccc(CN2C[C@H](O)[C@@H](N3CCCC3)C2)c1 ZINC000065507296 205356970 /nfs/dbraw/zinc/35/69/70/205356970.db2.gz PRHQMZPAUBSESL-SFTDATJTSA-N 0 3 365.477 2.580 50 0 FFAAHN CCNc1cc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nc(C)n1 ZINC000065363978 205340173 /nfs/dbraw/zinc/34/01/73/205340173.db2.gz SHQTUOJIMQAKQD-UHFFFAOYSA-N 0 3 373.888 2.762 50 0 FFAAHN Cc1cc(C)n(CCCN(C)c2ncnc3sc4c(c32)CCNC4)n1 ZINC000065376344 205342139 /nfs/dbraw/zinc/34/21/39/205342139.db2.gz SKHIIRMIWCIUKQ-UHFFFAOYSA-N 0 3 356.499 2.677 50 0 FFAAHN Cn1cc(C2=CCN(CCC(=O)N3CCCc4ccccc43)CC2)cn1 ZINC000065404555 205346115 /nfs/dbraw/zinc/34/61/15/205346115.db2.gz XRUAVLDLVJGHGX-UHFFFAOYSA-N 0 3 350.466 2.879 50 0 FFAAHN CCc1cn[nH]c1C1CCN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CC1 ZINC000067447025 205371009 /nfs/dbraw/zinc/37/10/09/205371009.db2.gz ZCTAIWFYCYYEAB-SFHVURJKSA-N 0 3 365.481 2.729 50 0 FFAAHN CC[C@H](Nc1nc(N(C)C)nc2c1CCNC2)c1nc2cc(C)ccc2[nH]1 ZINC000067606033 205375964 /nfs/dbraw/zinc/37/59/64/205375964.db2.gz WYQRYYDXAIAUFF-AWEZNQCLSA-N 0 3 365.485 2.936 50 0 FFAAHN CC[C@H](Nc1nc(N(C)C)nc2c1CCNC2)c1nc2ccc(C)cc2[nH]1 ZINC000067606033 205375969 /nfs/dbraw/zinc/37/59/69/205375969.db2.gz WYQRYYDXAIAUFF-AWEZNQCLSA-N 0 3 365.485 2.936 50 0 FFAAHN Cc1noc(C)c1CN1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 ZINC000067641181 205378934 /nfs/dbraw/zinc/37/89/34/205378934.db2.gz OQPYDJISTYBSGK-UHFFFAOYSA-N 0 3 367.453 2.604 50 0 FFAAHN CCn1c(=O)n(C)nc1[C@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC000067674278 205380973 /nfs/dbraw/zinc/38/09/73/205380973.db2.gz SQIKMHPFEAQKMC-KRWDZBQOSA-N 0 3 351.454 2.530 50 0 FFAAHN NC1(C(=O)N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)CC1 ZINC000067712861 205384811 /nfs/dbraw/zinc/38/48/11/205384811.db2.gz PRPDECIPEWXUCW-UHFFFAOYSA-N 0 3 358.825 2.925 50 0 FFAAHN COCCN1CCC(n2nccc2NC(=O)Nc2ccccc2OC)CC1 ZINC000067714345 205385699 /nfs/dbraw/zinc/38/56/99/205385699.db2.gz DYHGHTQIBRLSEN-UHFFFAOYSA-N 0 3 373.457 2.819 50 0 FFAAHN CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(N(C)CCN(C)C)nc2)C1 ZINC000067724705 205387272 /nfs/dbraw/zinc/38/72/72/205387272.db2.gz CAMHPSDNYCMNCR-GOSISDBHSA-N 0 3 374.529 2.547 50 0 FFAAHN C[C@@H](Cc1ccccn1)N(C)Cc1cccc(C(=O)Nc2cn(C)nn2)c1 ZINC000067803121 205393059 /nfs/dbraw/zinc/39/30/59/205393059.db2.gz VNWIBICYQHNZBR-HNNXBMFYSA-N 0 3 364.453 2.525 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N[C@H](C)c3ccc(O)cc3)cnn2c1 ZINC000067820529 205394606 /nfs/dbraw/zinc/39/46/06/205394606.db2.gz YXWZQUMWJAMMFK-CQSZACIVSA-N 0 3 367.453 2.768 50 0 FFAAHN O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CNCc1cccs1 ZINC000067840230 205396010 /nfs/dbraw/zinc/39/60/10/205396010.db2.gz PNUIRUVXUGAZBG-HXUWFJFHSA-N 0 3 358.507 2.824 50 0 FFAAHN O=C(c1cnc(-c2ccncc2)nc1)N1CCCC[C@@H]1CN1CCCC1 ZINC000095374975 205740664 /nfs/dbraw/zinc/74/06/64/205740664.db2.gz VMJDDHQWTJNZSS-GOSISDBHSA-N 0 3 351.454 2.629 50 0 FFAAHN CCN1CCCC[C@@H]1CNC(=O)NCc1cccc(NC(=O)NC2CC2)c1 ZINC000095957623 205798977 /nfs/dbraw/zinc/79/89/77/205798977.db2.gz ZYACYFLSGITYKP-GOSISDBHSA-N 0 3 373.501 2.644 50 0 FFAAHN Cc1nn(CC(=O)NCCN2CCC[C@@H](c3ccccc3)C2)c(C)c1C ZINC000215599823 206349131 /nfs/dbraw/zinc/34/91/31/206349131.db2.gz NHYIXAAIKKUWHK-HXUWFJFHSA-N 0 3 354.498 2.804 50 0 FFAAHN Cc1ccc(-c2ccc(CN3CCCN(CC(=O)N(C)C)CC3)cc2)o1 ZINC000215735521 206350384 /nfs/dbraw/zinc/35/03/84/206350384.db2.gz YTANGUFRJKQNJJ-UHFFFAOYSA-N 0 3 355.482 2.851 50 0 FFAAHN O=C(CSc1ccncc1)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000219707076 206388944 /nfs/dbraw/zinc/38/89/44/206388944.db2.gz QCGFOWHFFVRRRN-UHFFFAOYSA-N 0 3 367.518 2.875 50 0 FFAAHN Cc1ncn(CC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)c1C ZINC000218969559 206376624 /nfs/dbraw/zinc/37/66/24/206376624.db2.gz AELVSATTZRBYIF-UXHICEINSA-N 0 3 352.482 2.623 50 0 FFAAHN O=C(CN[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)N1CCNC(=O)C1 ZINC000329047131 258127968 /nfs/dbraw/zinc/12/79/68/258127968.db2.gz GBLQUORCWOLJAD-LSDHHAIUSA-N 0 3 369.387 2.730 50 0 FFAAHN N[C@@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)C[C@H]1c1ccccc1F ZINC000333254267 258258690 /nfs/dbraw/zinc/25/86/90/258258690.db2.gz HLZIWINUNMOKPX-DOTOQJQBSA-N 0 3 356.397 2.554 50 0 FFAAHN Cc1cc(N2CCC(N(C)Cc3nc4ccc(F)cc4[nH]3)CC2)ncn1 ZINC000095360447 132207901 /nfs/dbraw/zinc/20/79/01/132207901.db2.gz MDEPZNHAGZRJQJ-UHFFFAOYSA-N 0 3 354.433 2.901 50 0 FFAAHN CN1CCN(CCN2CCN(c3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000244734466 132291081 /nfs/dbraw/zinc/29/10/81/132291081.db2.gz NFXZNAIKFAMVNM-HSZRJFAPSA-N 0 3 364.537 2.797 50 0 FFAAHN CC[C@@H]1Oc2ccccc2N(CC(=O)NCCN2[C@H](C)CCC[C@@H]2C)C1=O ZINC000002934243 132384502 /nfs/dbraw/zinc/38/45/02/132384502.db2.gz MTUQHNGGEFFKKD-JZXOWHBKSA-N 0 3 373.497 2.570 50 0 FFAAHN COc1ccccc1OCC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000070928576 136138603 /nfs/dbraw/zinc/13/86/03/136138603.db2.gz INOPRJIQQMPHKV-UHFFFAOYSA-N 0 3 355.438 2.502 50 0 FFAAHN Cc1cc(I)ccc1NC(=O)C1CCN(C)CC1 ZINC000078578636 507885058 /nfs/dbraw/zinc/88/50/58/507885058.db2.gz AJQYQEDZPVUXMJ-UHFFFAOYSA-N 0 3 358.223 2.880 50 0 FFAAHN C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000032731297 506286637 /nfs/dbraw/zinc/28/66/37/506286637.db2.gz MHKAWSKLQRQHSX-APWZRJJASA-N 0 3 369.465 2.720 50 0 FFAAHN CCN(CC)[C@H](CNC(=O)[C@H]1CCCN(C(C)=O)C1)c1ccsc1 ZINC000032915216 506310659 /nfs/dbraw/zinc/31/06/59/506310659.db2.gz LVAOUCHDKOREOD-DOTOQJQBSA-N 0 3 351.516 2.506 50 0 FFAAHN Cc1cc2n(n1)C[C@H](CNCc1cc(Br)ccc1F)CN2 ZINC000065609784 506334281 /nfs/dbraw/zinc/33/42/81/506334281.db2.gz BJQDWRZUMMPWFH-LLVKDONJSA-N 0 3 353.239 2.925 50 0 FFAAHN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCN[C@H](c2cccc(Cl)c2)C1 ZINC000366913109 512246873 /nfs/dbraw/zinc/24/68/73/512246873.db2.gz RDWLXLYHYGKPPS-KRWDZBQOSA-N 0 3 367.840 2.912 50 0 FFAAHN CC1(C)Cc2nc3sc4c(ncnc4N4CCNCC4)c3cc2CO1 ZINC000004837269 506397764 /nfs/dbraw/zinc/39/77/64/506397764.db2.gz RBMLXZRUTGUOCM-UHFFFAOYSA-N 0 3 355.467 2.500 50 0 FFAAHN CCN1CCN(c2ccc(NC(=O)/C=C/c3cnn(C)c3)cc2C)CC1 ZINC000009368063 506693944 /nfs/dbraw/zinc/69/39/44/506693944.db2.gz ACXMAKKJZCFHRV-VMPITWQZSA-N 0 3 353.470 2.522 50 0 FFAAHN Cc1nn(C)cc1CN1CCC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000012074529 506811373 /nfs/dbraw/zinc/81/13/73/506811373.db2.gz QBMMWZQDIXZTKJ-INIZCTEOSA-N 0 3 365.481 2.852 50 0 FFAAHN COc1ncccc1C(=O)N[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000012373782 506856189 /nfs/dbraw/zinc/85/61/89/506856189.db2.gz ASODEZBJPZVJBY-GOSISDBHSA-N 0 3 353.466 2.917 50 0 FFAAHN O[C@H](Cn1c2c(c3cccc(Cl)c31)CCCC2)CN1CCC(O)CC1 ZINC000012421983 506862530 /nfs/dbraw/zinc/86/25/30/506862530.db2.gz TUCKJXYIKVYSTQ-HNNXBMFYSA-N 0 3 362.901 2.991 50 0 FFAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2cnsn2)C1 ZINC000012438308 506864670 /nfs/dbraw/zinc/86/46/70/506864670.db2.gz NEVHGXOOYUQCDG-OAHLLOKOSA-N 0 3 374.510 2.573 50 0 FFAAHN COc1ccc(C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)c(OC)n1 ZINC000012442552 506865549 /nfs/dbraw/zinc/86/55/49/506865549.db2.gz RQDRGDBANLDWJX-KRWDZBQOSA-N 0 3 369.465 2.536 50 0 FFAAHN CN(CCN1CCCCC1)C(=O)c1coc(COc2ccc(F)cc2)n1 ZINC000012469556 506868425 /nfs/dbraw/zinc/86/84/25/506868425.db2.gz BSMPEBUBQLWICY-UHFFFAOYSA-N 0 3 361.417 2.951 50 0 FFAAHN CN(C(=O)CCN1CCCCO1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000012589420 506882140 /nfs/dbraw/zinc/88/21/40/506882140.db2.gz LMFZWFPEHKJBLA-NRFANRHFSA-N 0 3 373.541 2.960 50 0 FFAAHN COc1cc(C(=O)N2CCN(C3CCCCC3)CC2)cc(OC)c1OC ZINC000013154412 506930935 /nfs/dbraw/zinc/93/09/35/506930935.db2.gz NHDRMMURFMGQIN-UHFFFAOYSA-N 0 3 362.470 2.803 50 0 FFAAHN CN(C)[C@@H](CNC(=O)CCNC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000014164587 506973466 /nfs/dbraw/zinc/97/34/66/506973466.db2.gz CAABVAFURQGMQX-SFHVURJKSA-N 0 3 373.884 2.879 50 0 FFAAHN Cc1cccc(CN2CCC[C@](O)(CNCc3ccc(F)c(F)c3)C2=O)c1 ZINC000014952839 507007945 /nfs/dbraw/zinc/00/79/45/507007945.db2.gz NEIHBQKJTRVUPM-NRFANRHFSA-N 0 3 374.431 2.917 50 0 FFAAHN Cc1cccc(CN2CCC[C@H](n3cc(C(=O)N4CCCC4)nn3)C2)c1 ZINC000014993541 507009706 /nfs/dbraw/zinc/00/97/06/507009706.db2.gz NVCZXMLXFAYWNX-SFHVURJKSA-N 0 3 353.470 2.660 50 0 FFAAHN CN(C)CCN(C)C(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000014979190 507010127 /nfs/dbraw/zinc/01/01/27/507010127.db2.gz AZVPYRMBMKVPGC-SFHVURJKSA-N 0 3 354.450 2.957 50 0 FFAAHN COc1cc(C[C@@H]2CC(CN3CCCCC3)=NO2)c(OC)c2c1OCO2 ZINC000015081407 507017640 /nfs/dbraw/zinc/01/76/40/507017640.db2.gz NKNORRXTTGWRSN-OAHLLOKOSA-N 0 3 362.426 2.606 50 0 FFAAHN Cc1ccc2[nH]c(=O)c(CN3CCC([C@H](O)c4nccn4C)CC3)cc2c1 ZINC000067886031 507039932 /nfs/dbraw/zinc/03/99/32/507039932.db2.gz XZVVWEDOPJMDMZ-IBGZPJMESA-N 0 3 366.465 2.516 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N[C@H](C)c3nccs3)cnn2c1 ZINC000067921257 507051601 /nfs/dbraw/zinc/05/16/01/507051601.db2.gz BXYLGDQJAJAMLY-GFCCVEGCSA-N 0 3 358.471 2.519 50 0 FFAAHN CCN(C[C@H]1CCN(C)C1)C(=O)c1coc(COc2ccc(F)cc2)n1 ZINC000067956190 507067865 /nfs/dbraw/zinc/06/78/65/507067865.db2.gz NSAHFZRPVLGAQG-AWEZNQCLSA-N 0 3 361.417 2.807 50 0 FFAAHN CC(C)CN1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1CCO ZINC000019224134 507159833 /nfs/dbraw/zinc/15/98/33/507159833.db2.gz MMFJAADTNCXELR-FQEVSTJZSA-N 0 3 360.477 2.536 50 0 FFAAHN Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)[N@H+]1Cc1ccc(OC(C)C)cc1 ZINC000019286360 507162637 /nfs/dbraw/zinc/16/26/37/507162637.db2.gz VPEZJHPWEBTPDZ-SJORKVTESA-N 0 3 353.466 2.997 50 0 FFAAHN Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)[N@@H+]1Cc1ccc(OC(C)C)cc1 ZINC000019286360 507162644 /nfs/dbraw/zinc/16/26/44/507162644.db2.gz VPEZJHPWEBTPDZ-SJORKVTESA-N 0 3 353.466 2.997 50 0 FFAAHN CN1CCN(C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC000019889849 507206144 /nfs/dbraw/zinc/20/61/44/507206144.db2.gz IUMDQHNFIXRYET-UHFFFAOYSA-N 0 3 352.320 2.661 50 0 FFAAHN CN1CCN(CCCNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000020064350 507210030 /nfs/dbraw/zinc/21/00/30/507210030.db2.gz QHCUBEIVTFRVQD-UHFFFAOYSA-N 0 3 351.903 2.922 50 0 FFAAHN COc1ccc(N2C(=O)[C@@H](CN3CCN(C)CC3)[C@H]2c2ccccc2)cc1 ZINC000020388062 507220185 /nfs/dbraw/zinc/22/01/85/507220185.db2.gz PDQXYGHDFRABEL-LEWJYISDSA-N 0 3 365.477 2.647 50 0 FFAAHN OCC[C@H]1CN(Cc2cnn(-c3ccccc3)c2)CCN1C1CCCC1 ZINC000023373299 507348588 /nfs/dbraw/zinc/34/85/88/507348588.db2.gz AGLKTDSHMAGHOC-NRFANRHFSA-N 0 3 354.498 2.684 50 0 FFAAHN CN(C)C[C@@H](O)COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1 ZINC000058190758 507382428 /nfs/dbraw/zinc/38/24/28/507382428.db2.gz FZVXHHLZGBHQGR-CQSZACIVSA-N 0 3 365.380 2.910 50 0 FFAAHN COc1ccccc1OCc1cc(C(=O)N2CCCN(C(C)C)CC2)n[nH]1 ZINC000071498596 507703989 /nfs/dbraw/zinc/70/39/89/507703989.db2.gz FZHZIHSLLFSQLE-UHFFFAOYSA-N 0 3 372.469 2.554 50 0 FFAAHN COc1ccccc1OCc1cc(C(=O)N2CCCN(C(C)C)CC2)[nH]n1 ZINC000071498596 507703995 /nfs/dbraw/zinc/70/39/95/507703995.db2.gz FZHZIHSLLFSQLE-UHFFFAOYSA-N 0 3 372.469 2.554 50 0 FFAAHN Cc1ncc2c(c1CNc1nccc(CCC(F)(F)F)n1)CCNC2 ZINC000071479562 507704882 /nfs/dbraw/zinc/70/48/82/507704882.db2.gz NQWPUMHAOFDORN-UHFFFAOYSA-N 0 3 351.376 2.933 50 0 FFAAHN COc1c[nH]c(CN2CCC[C@@H](N(C)CCc3ccccc3)C2)cc1=O ZINC000072120692 507750537 /nfs/dbraw/zinc/75/05/37/507750537.db2.gz NHSOBCZEZKGGTK-LJQANCHMSA-N 0 3 355.482 2.935 50 0 FFAAHN CCN(C)Cc1cc2n(n1)CCCN(Cc1nc(C)n3ccccc13)C2 ZINC000072127115 507751691 /nfs/dbraw/zinc/75/16/91/507751691.db2.gz AGLQKQYEKMDIEB-UHFFFAOYSA-N 0 3 352.486 2.697 50 0 FFAAHN Cc1ccc(-n2cccn2)c(-c2nccn2CC2(O)CCN(C)CC2)c1 ZINC000072144038 507756595 /nfs/dbraw/zinc/75/65/95/507756595.db2.gz ROZRQUHUVOPMHG-UHFFFAOYSA-N 0 3 351.454 2.501 50 0 FFAAHN NC(=O)CCn1cc(CN2CCC3(CCOCC3)CC2)c2ccccc21 ZINC000072143716 507756766 /nfs/dbraw/zinc/75/67/66/507756766.db2.gz XNWKNRRXHGFKBQ-UHFFFAOYSA-N 0 3 355.482 2.909 50 0 FFAAHN Cc1ccc(Sc2ccc(CN3CCO[C@@]4(C3)CNCCOC4)o2)cc1 ZINC000072149995 507759423 /nfs/dbraw/zinc/75/94/23/507759423.db2.gz PERNWHUTJJMSEZ-HXUWFJFHSA-N 0 3 374.506 2.930 50 0 FFAAHN Cc1cc(N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)nc(N)n1 ZINC000072149524 507759976 /nfs/dbraw/zinc/75/99/76/507759976.db2.gz XALLQEPDKXXGBW-GFCCVEGCSA-N 0 3 365.359 2.599 50 0 FFAAHN CN(C)Cc1ccc([C@@H]2CCCCN2CC(=O)Nc2cnn(C)c2)cc1 ZINC000072152822 507762077 /nfs/dbraw/zinc/76/20/77/507762077.db2.gz RCCIQZVDCMDEQQ-IBGZPJMESA-N 0 3 355.486 2.647 50 0 FFAAHN CCc1nc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)no1 ZINC000072157495 507764632 /nfs/dbraw/zinc/76/46/32/507764632.db2.gz JRHUYMWQVWSXDW-NSISKUIASA-N 0 3 356.445 2.833 50 0 FFAAHN COCCCN(C(=O)NCCc1ccccc1F)C1CCN(C)CC1 ZINC000072161100 507765633 /nfs/dbraw/zinc/76/56/33/507765633.db2.gz UVFSKQJWIRVJBB-UHFFFAOYSA-N 0 3 351.466 2.511 50 0 FFAAHN Cc1cccc(OC2CN(c3nc(-c4ccccn4)nc4c3CCNC4)C2)c1 ZINC000072161036 507765756 /nfs/dbraw/zinc/76/57/56/507765756.db2.gz AZVHCBWXBQYYKC-UHFFFAOYSA-N 0 3 373.460 2.760 50 0 FFAAHN c1ccc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)nc1 ZINC000072165080 507766816 /nfs/dbraw/zinc/76/68/16/507766816.db2.gz FJAWWNZABWQJHR-STZQEDGTSA-N 0 3 363.461 2.873 50 0 FFAAHN O[C@H](CN1CCC(CCN2CCOCC2)CC1)c1ccccc1Cl ZINC000072230587 507771180 /nfs/dbraw/zinc/77/11/80/507771180.db2.gz VKBGWVRKRYFGTP-LJQANCHMSA-N 0 3 352.906 2.808 50 0 FFAAHN c1cn(C[C@@H]2CCN(c3ccccc3)C2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072419356 507786740 /nfs/dbraw/zinc/78/67/40/507786740.db2.gz YKPBHFMYRIHQFG-QGZVFWFLSA-N 0 3 362.481 2.766 50 0 FFAAHN Cc1cc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)n[nH]1 ZINC000072426133 507788679 /nfs/dbraw/zinc/78/86/79/507788679.db2.gz DBAKMUPVEYYMBE-MAUKXSAKSA-N 0 3 358.511 2.835 50 0 FFAAHN CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]cn3)C2)cc1 ZINC000072476445 507795882 /nfs/dbraw/zinc/79/58/82/507795882.db2.gz CIASVWNSSYWGQU-SFHVURJKSA-N 0 3 355.482 2.853 50 0 FFAAHN CC(C)(O)CCc1ccc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]cn3)C2)cc1 ZINC000072476445 507795884 /nfs/dbraw/zinc/79/58/84/507795884.db2.gz CIASVWNSSYWGQU-SFHVURJKSA-N 0 3 355.482 2.853 50 0 FFAAHN C[C@H](C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)N1CCCC1 ZINC000072481380 507797887 /nfs/dbraw/zinc/79/78/87/507797887.db2.gz ZFKFYKINEVBTBX-CQSZACIVSA-N 0 3 370.415 3.000 50 0 FFAAHN Cc1cc(S(=O)(=O)NCC2CCN(c3ccncc3)CC2)sc1C ZINC000091048643 507946959 /nfs/dbraw/zinc/94/69/59/507946959.db2.gz DQOQUOOJFGRVHD-UHFFFAOYSA-N 0 3 365.524 2.955 50 0 FFAAHN CCn1nccc1C(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(OC)cc1)C2 ZINC000091441458 507986065 /nfs/dbraw/zinc/98/60/65/507986065.db2.gz RBGBDSHKGBQBLI-ZWKOTPCHSA-N 0 3 368.481 2.648 50 0 FFAAHN Cc1ccc2[nH]c(CN3CCC[C@@]4(CN(C)C(=O)O4)CC3)cc(=O)c2c1 ZINC000091593125 507994689 /nfs/dbraw/zinc/99/46/89/507994689.db2.gz GJGPYTQNDNIPAW-FQEVSTJZSA-N 0 3 355.438 2.643 50 0 FFAAHN COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)C(C)(C)N)cc1 ZINC000091985723 508029654 /nfs/dbraw/zinc/02/96/54/508029654.db2.gz KCQUOTCAZPVWPK-INIZCTEOSA-N 0 3 356.470 2.748 50 0 FFAAHN CCc1nccn1CC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 ZINC000091987532 508030049 /nfs/dbraw/zinc/03/00/49/508030049.db2.gz XVDHUAQPQHZAMF-PKOBYXMFSA-N 0 3 370.472 2.708 50 0 FFAAHN Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000091997847 508030994 /nfs/dbraw/zinc/03/09/94/508030994.db2.gz MQFWNEMBTSEBFN-NTPDMAOXSA-N 0 3 362.481 2.953 50 0 FFAAHN COc1ccc(CN2CCN(C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cc1 ZINC000092061876 508038484 /nfs/dbraw/zinc/03/84/84/508038484.db2.gz QTWVHJMHPKVMQA-QFIPXVFZSA-N 0 3 371.525 2.604 50 0 FFAAHN CCn1c(Cn2cncn2)nnc1C1CCN(Cc2sccc2C)CC1 ZINC000092066402 508039322 /nfs/dbraw/zinc/03/93/22/508039322.db2.gz VRPOXNRCGKOJLI-UHFFFAOYSA-N 0 3 371.514 2.687 50 0 FFAAHN Cc1nc[nH]c1CN1C[C@H]2CC[C@H](CN2Cc2cc(CN(C)C)cs2)C1 ZINC000095361715 508175789 /nfs/dbraw/zinc/17/57/89/508175789.db2.gz PERKLQGWYLDUAA-FUHWJXTLSA-N 0 3 373.570 2.938 50 0 FFAAHN c1csc(N2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000095361799 508175836 /nfs/dbraw/zinc/17/58/36/508175836.db2.gz MUKZTKWQLWRHAV-ZTFGCOKTSA-N 0 3 355.463 2.938 50 0 FFAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000095371192 508178154 /nfs/dbraw/zinc/17/81/54/508178154.db2.gz NNJIKWHFRGCUGQ-GOSISDBHSA-N 0 3 365.481 2.946 50 0 FFAAHN CCSCCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095389038 508183877 /nfs/dbraw/zinc/18/38/77/508183877.db2.gz QPWPRMRUYVCGTM-DFQSSKMNSA-N 0 3 360.523 2.924 50 0 FFAAHN CS[C@H]1CN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C[C@@H]1N(C)C ZINC000095444662 508185771 /nfs/dbraw/zinc/18/57/71/508185771.db2.gz UVZZRJXSFROBHE-HOTGVXAUSA-N 0 3 364.902 2.643 50 0 FFAAHN CC1CCN(Cc2ccccc2OC[C@H](O)CN2CCSCC2)CC1 ZINC000095496633 508189452 /nfs/dbraw/zinc/18/94/52/508189452.db2.gz ZWEBHFHAEMHNNN-LJQANCHMSA-N 0 3 364.555 2.707 50 0 FFAAHN O=C(NC[C@H]1CCCN(CCn2cnnc2)C1)c1cccc2ccccc21 ZINC000095503075 508191344 /nfs/dbraw/zinc/19/13/44/508191344.db2.gz MPJBCYVTODIUJP-QGZVFWFLSA-N 0 3 363.465 2.573 50 0 FFAAHN CCN1CCCC[C@H]1CNC(=O)NCc1cccc(NC(=O)NC2CC2)c1 ZINC000095957624 508199086 /nfs/dbraw/zinc/19/90/86/508199086.db2.gz ZYACYFLSGITYKP-SFHVURJKSA-N 0 3 373.501 2.644 50 0 FFAAHN COc1ccc(S(=O)(=O)NC[C@H](C(C)C)N2CCCC2)c(C)c1F ZINC000097104197 508218908 /nfs/dbraw/zinc/21/89/08/508218908.db2.gz UABUKVXQKOCBPQ-CQSZACIVSA-N 0 3 358.479 2.541 50 0 FFAAHN O=c1cc(CN2CCCC[C@@H]2CCN2CCOCC2)[nH]c2ccccc12 ZINC000077302652 508296811 /nfs/dbraw/zinc/29/68/11/508296811.db2.gz OSEKGHLHWAVRKH-GOSISDBHSA-N 0 3 355.482 2.605 50 0 FFAAHN CCc1ccc2nc(C)cc(C(=O)NCCN3CCCC[C@H]3CO)c2c1 ZINC000077391863 508310495 /nfs/dbraw/zinc/31/04/95/508310495.db2.gz VIRLLAVPLWATCN-KRWDZBQOSA-N 0 3 355.482 2.682 50 0 FFAAHN CCOc1ncccc1C(=O)N(Cc1ccncc1)C1CCN(C)CC1 ZINC000077436656 508315560 /nfs/dbraw/zinc/31/55/60/508315560.db2.gz WAFZSFXHPLUAEF-UHFFFAOYSA-N 0 3 354.454 2.612 50 0 FFAAHN O=C(c1ccc2nonc2c1)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000077457564 508318995 /nfs/dbraw/zinc/31/89/95/508318995.db2.gz FQMVBXGZYQSQQJ-UHFFFAOYSA-N 0 3 362.433 2.538 50 0 FFAAHN C[C@H](CC(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1)n1ccnc1 ZINC000077469750 508320103 /nfs/dbraw/zinc/32/01/03/508320103.db2.gz MRISXQJQEJQTJY-HINLZNOGSA-N 0 3 356.514 2.947 50 0 FFAAHN Cc1ccc([C@@H]2CN(CC(=O)NCc3ccccc3)C[C@H]2N(C)C)cc1 ZINC000077490040 508323524 /nfs/dbraw/zinc/32/35/24/508323524.db2.gz KXXXATYPIORBLQ-LEWJYISDSA-N 0 3 351.494 2.641 50 0 FFAAHN CN(C)[C@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000106770419 508404238 /nfs/dbraw/zinc/40/42/38/508404238.db2.gz PKUSFAGYAOLFMA-LBPRGKRZSA-N 0 3 353.253 2.955 50 0 FFAAHN O=C([O-])[C@@]12CN(Cc3cccs3)C[C@@H]1C[N@H+](Cc1cccc(F)c1)C2 ZINC000215230068 509245431 /nfs/dbraw/zinc/24/54/31/509245431.db2.gz UDFWGMCJHQIZPR-KXBFYZLASA-N 0 3 360.454 2.906 50 0 FFAAHN O=C([O-])[C@@]12CN(Cc3cccs3)C[C@@H]1C[N@@H+](Cc1cccc(F)c1)C2 ZINC000215230068 509245438 /nfs/dbraw/zinc/24/54/38/509245438.db2.gz UDFWGMCJHQIZPR-KXBFYZLASA-N 0 3 360.454 2.906 50 0 FFAAHN Cc1ncn(CCNC(=O)CC2CCN(Cc3ccccc3)CC2)c1C ZINC000221376847 509309105 /nfs/dbraw/zinc/30/91/05/509309105.db2.gz QJCNXIPNAHDXMB-UHFFFAOYSA-N 0 3 354.498 2.918 50 0 FFAAHN COc1ccc([C@@H](CO)N(C)CCCN(C)C(=O)OC(C)(C)C)cc1 ZINC000225494043 509374313 /nfs/dbraw/zinc/37/43/13/509374313.db2.gz RGSGCULMMZWKKN-QGZVFWFLSA-N 0 3 352.475 2.917 50 0 FFAAHN CN1CC[C@@H](CNC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)C1 ZINC000225484470 509374834 /nfs/dbraw/zinc/37/48/34/509374834.db2.gz IHJKJAKYOWXSFN-NSHDSACASA-N 0 3 353.253 2.861 50 0 FFAAHN O=C(NCC1(N2CCCCC2)CCOCC1)c1ccncc1C(F)(F)F ZINC000192213677 509407937 /nfs/dbraw/zinc/40/79/37/509407937.db2.gz YRCHDKCCZBDHBM-UHFFFAOYSA-N 0 3 371.403 2.865 50 0 FFAAHN CN(CC1CCOCC1)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189800867 509759300 /nfs/dbraw/zinc/75/93/00/509759300.db2.gz XLXLHOKGRVIXTD-GOSISDBHSA-N 0 3 352.425 2.814 50 0 FFAAHN Cc1cc(-n2cccn2)ccc1NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000239882306 509839220 /nfs/dbraw/zinc/83/92/20/509839220.db2.gz DAZQATDFLSKEOK-UHFFFAOYSA-N 0 3 353.430 2.583 50 0 FFAAHN Cc1c(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c2cc(O)ccc2n1C ZINC000252488581 509842004 /nfs/dbraw/zinc/84/20/04/509842004.db2.gz IUYLHVYLCJFZON-QGZVFWFLSA-N 0 3 371.481 2.566 50 0 FFAAHN O=C(CCN1CCN([C@@H]2CCc3ccccc3C2)CC1)Nc1cccnc1 ZINC000252488512 509842703 /nfs/dbraw/zinc/84/27/03/509842703.db2.gz ITVRTANEABCDSD-OAQYLSRUSA-N 0 3 364.493 2.585 50 0 FFAAHN Cc1ccnc(SCC(=O)NC2CCN(CCc3ccccc3)CC2)n1 ZINC000244626747 509861948 /nfs/dbraw/zinc/86/19/48/509861948.db2.gz FRWCAGMLWNIYGL-UHFFFAOYSA-N 0 3 370.522 2.700 50 0 FFAAHN COc1ccc(C2(C(=O)N3CCCO[C@H](CN4CCCCC4)C3)CC2)cc1 ZINC000244641202 509862026 /nfs/dbraw/zinc/86/20/26/509862026.db2.gz GLFGWARIDQEBSB-HXUWFJFHSA-N 0 3 372.509 2.830 50 0 FFAAHN CN(C)CCOc1cccc(C[N@@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC000244633528 509862042 /nfs/dbraw/zinc/86/20/42/509862042.db2.gz GELBABXWJJPZKA-QFIPXVFZSA-N 0 3 368.477 2.855 50 0 FFAAHN CN(C)CCOc1cccc(C[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC000244633528 509862049 /nfs/dbraw/zinc/86/20/49/509862049.db2.gz GELBABXWJJPZKA-QFIPXVFZSA-N 0 3 368.477 2.855 50 0 FFAAHN COc1cccc(OCCN2CCN(C3Cc4ccccc4C3)CC2)c1 ZINC000244718868 509864702 /nfs/dbraw/zinc/86/47/02/509864702.db2.gz LSLSQIKFTBWXSF-UHFFFAOYSA-N 0 3 352.478 2.859 50 0 FFAAHN COc1cc(NC(=O)CCN2CCC(c3cc[nH]n3)CC2)cc(OC)c1 ZINC000244795502 509871593 /nfs/dbraw/zinc/87/15/93/509871593.db2.gz RHLAMIYHPXIXPY-UHFFFAOYSA-N 0 3 358.442 2.635 50 0 FFAAHN Cc1ccc(CN2C[C@H]([C@H](C)OC(C)(C)C)NC[C@H]2[C@@H](C)O)cc1F ZINC000245204393 509884942 /nfs/dbraw/zinc/88/49/42/509884942.db2.gz AOETUOPIFXUJJP-OHQAAIJDSA-N 0 3 352.494 2.861 50 0 FFAAHN CC(C)N1CCC2(CC1)CN(C(=O)Cn1ccnc1)Cc1ccccc1O2 ZINC000257193405 509953819 /nfs/dbraw/zinc/95/38/19/509953819.db2.gz ROKBBLGOQHRBCC-UHFFFAOYSA-N 0 3 368.481 2.547 50 0 FFAAHN Cc1c(NC(=O)N[C@H]2COC[C@@H]2N2CCCC2)cccc1N1CCCC1 ZINC000299767020 511673483 /nfs/dbraw/zinc/67/34/83/511673483.db2.gz ALZSIZVVAMABSW-HKUYNNGSSA-N 0 3 358.486 2.580 50 0 FFAAHN CN(CC1(CO)CCOCC1)C(=O)CC1CCN(Cc2ccccc2)CC1 ZINC000299779572 511677332 /nfs/dbraw/zinc/67/73/32/511677332.db2.gz ADGZPUGNUOSEFC-UHFFFAOYSA-N 0 3 374.525 2.536 50 0 FFAAHN COc1ccc(CCN2C(=O)CC[C@@H]2CCNCc2ccccn2)cc1 ZINC000299784772 511679828 /nfs/dbraw/zinc/67/98/28/511679828.db2.gz KSFPIUAONKGDPN-LJQANCHMSA-N 0 3 353.466 2.804 50 0 FFAAHN O=C(NCCc1nc2ccc(F)cc2[nH]1)[C@H](c1cccnc1)N1CCCC1 ZINC000299787938 511681117 /nfs/dbraw/zinc/68/11/17/511681117.db2.gz ZCGHKHYAWMQDRH-IBGZPJMESA-N 0 3 367.428 2.593 50 0 FFAAHN CO[C@]12CCN(Cc3nccnc3C)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000299789666 511682853 /nfs/dbraw/zinc/68/28/53/511682853.db2.gz ZSGBQQPRCRLKLM-IMFGXOCKSA-N 0 3 354.454 2.771 50 0 FFAAHN CO[C@]12CCN(Cc3ccc4cccc(F)c4n3)[C@H]1C[C@@H](OCCO)CC2 ZINC000426374152 513918549 /nfs/dbraw/zinc/91/85/49/513918549.db2.gz JHKRTIAVFOTKRP-HFSMHLIXSA-N 0 3 374.456 2.895 50 0 FFAAHN CCCN1CCC[C@H](NC(=O)N(C)Cc2cc(-c3cccnc3)no2)C1 ZINC000426386293 513923475 /nfs/dbraw/zinc/92/34/75/513923475.db2.gz KDTJDPJCQDNERP-INIZCTEOSA-N 0 3 357.458 2.752 50 0 FFAAHN CCn1ccnc1CN(C)C(=O)NCCN1CCC[C@H](c2ccccc2)C1 ZINC000426404379 513930356 /nfs/dbraw/zinc/93/03/56/513930356.db2.gz SSCKMTBCIMUDNJ-IBGZPJMESA-N 0 3 369.513 2.924 50 0 FFAAHN O=C(NCCN1CCCC[C@H]1CO)N1CCC(CCc2ccccc2)CC1 ZINC000426405234 513930370 /nfs/dbraw/zinc/93/03/70/513930370.db2.gz ZMJPQUBJGDCQNP-NRFANRHFSA-N 0 3 373.541 2.888 50 0 FFAAHN C[C@@H]1CCCCN1C1CN(C(=O)NCc2cccc(-n3cccn3)c2)C1 ZINC000426497357 513958867 /nfs/dbraw/zinc/95/88/67/513958867.db2.gz OHGCTURNORHDJP-MRXNPFEDSA-N 0 3 353.470 2.641 50 0 FFAAHN CCC(=O)c1cccc(-c2ccc(C(=O)NC[C@H]3CNCCO3)cc2)c1 ZINC000426550449 513977200 /nfs/dbraw/zinc/97/72/00/513977200.db2.gz MQPNPBYUDHUUPU-LJQANCHMSA-N 0 3 352.434 2.665 50 0 FFAAHN Cn1c2ccccc2nc1[C@H]1CCCN(C(=O)NCCN2CCCC2)C1 ZINC000426683702 514015316 /nfs/dbraw/zinc/01/53/16/514015316.db2.gz CWDCFZCIGMRYOZ-INIZCTEOSA-N 0 3 355.486 2.558 50 0 FFAAHN O=C(NC1(CN2CCCCC2)CC1)N1CCN(CCc2ccccc2)CC1 ZINC000534592753 517956457 /nfs/dbraw/zinc/95/64/57/517956457.db2.gz HQUBPKOZASAEHU-UHFFFAOYSA-N 0 3 370.541 2.575 50 0 FFAAHN CN(Cc1nccs1)C(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC000534633637 517973171 /nfs/dbraw/zinc/97/31/71/517973171.db2.gz NTOXPDMZCNADQO-AWEZNQCLSA-N 0 3 362.474 2.946 50 0 FFAAHN CC[C@H](CNC(=O)N1CC(Oc2ccccc2OC)C1)N1CCCCC1 ZINC000534646464 517980722 /nfs/dbraw/zinc/98/07/22/517980722.db2.gz ZSKILQDDLOAWQD-MRXNPFEDSA-N 0 3 361.486 2.732 50 0 FFAAHN COc1nn(C)cc1C(=O)NC[C@H](c1csc2ccccc21)N(C)C ZINC000575622194 518239059 /nfs/dbraw/zinc/23/90/59/518239059.db2.gz XLZFQMPRQKELKD-OAHLLOKOSA-N 0 3 358.467 2.676 50 0 FFAAHN CN1CCOC[C@H](CNC(=O)N(Cc2ccccn2)C2CCCCC2)C1 ZINC000584895859 518527609 /nfs/dbraw/zinc/52/76/09/518527609.db2.gz OWENSXAWKVLXHB-QGZVFWFLSA-N 0 3 360.502 2.504 50 0 FFAAHN CC1CCN(C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000252673316 521018821 /nfs/dbraw/zinc/01/88/21/521018821.db2.gz QZDZTCUOUZEBOU-FGTMMUONSA-N 0 3 350.890 2.653 50 0 FFAAHN CCN1CCC[C@@H](NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000065512749 521621309 /nfs/dbraw/zinc/62/13/09/521621309.db2.gz YKGYPPPLFIGAJO-LSDHHAIUSA-N 0 3 366.456 2.575 50 0 FFAAHN CCN1CCC[C@H](NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000242288000 521645793 /nfs/dbraw/zinc/64/57/93/521645793.db2.gz YKGYPPPLFIGAJO-CABCVRRESA-N 0 3 366.456 2.575 50 0 FFAAHN COc1ccc(-c2ccc(C(=O)NCc3cc4n(n3)CCCNC4)o2)cc1 ZINC000082108079 523133478 /nfs/dbraw/zinc/13/34/78/523133478.db2.gz ASFXJLGNYQDZRW-UHFFFAOYSA-N 0 3 366.421 2.575 50 0 FFAAHN COCCN1CCC[C@@]2(CCN(Cc3cc(-c4ccccc4)no3)C2)C1=O ZINC000091585532 523829747 /nfs/dbraw/zinc/82/97/47/523829747.db2.gz XUGDYEKYJMVWOH-NRFANRHFSA-N 0 3 369.465 2.803 50 0 FFAAHN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@H]2C)c2cccnc12 ZINC000252452689 525006354 /nfs/dbraw/zinc/00/63/54/525006354.db2.gz WNIGDLLABLACMP-CVEARBPZSA-N 0 3 368.481 2.861 50 0 FFAAHN O=C(c1ccco1)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1 ZINC000019885264 526826305 /nfs/dbraw/zinc/82/63/05/526826305.db2.gz ULMISUXTTABAMO-UHFFFAOYSA-N 0 3 353.466 2.702 50 0 FFAAHN OCc1ccc(CN2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)o1 ZINC000019795028 527631204 /nfs/dbraw/zinc/63/12/04/527631204.db2.gz YTCRVELGTVIFSH-IBGZPJMESA-N 0 3 373.472 2.698 50 0 FFAAHN C[C@H]1CCCCN1CCNC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1 ZINC000107337060 570895850 /nfs/dbraw/zinc/89/58/50/570895850.db2.gz HDTUAKCFVKJSMW-WCQYABFASA-N 0 3 355.891 2.885 50 0 FFAAHN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCCN1CCC(C)CC1 ZINC000047984762 570932403 /nfs/dbraw/zinc/93/24/03/570932403.db2.gz YNYWCOPMNSHEMX-UHFFFAOYSA-N 0 3 358.486 2.741 50 0 FFAAHN C[C@@H]1COc2ccccc2CN1C(=O)c1c[nH]c(C2CCN(C)CC2)n1 ZINC000685942398 571102716 /nfs/dbraw/zinc/10/27/16/571102716.db2.gz PGZAZWGYQJKGJP-CQSZACIVSA-N 0 3 354.454 2.642 50 0 FFAAHN CN1CCC(Oc2ccc(NC(=O)c3cn4ccnc4s3)cn2)CC1 ZINC000188546514 729389417 /nfs/dbraw/zinc/38/94/17/729389417.db2.gz JDFYYNZIYODBIY-UHFFFAOYSA-N 0 3 357.439 2.516 50 0 FFAAHN O=C(N[C@@H]1CCCN(Cc2cccs2)C1)c1ccccc1-c1nc[nH]n1 ZINC000828184241 999559468 /nfs/dbraw/zinc/55/94/68/999559468.db2.gz UBNRCXKECSODQR-CQSZACIVSA-N 0 3 367.478 2.928 50 0 FFAAHN O=C(C[C@H]1CCOC2(CCN(Cc3ccccn3)CC2)C1)N1CCCC1 ZINC000581784946 999944252 /nfs/dbraw/zinc/94/42/52/999944252.db2.gz BKUDYQZKMQCRTG-GOSISDBHSA-N 0 3 357.498 2.855 50 0 FFAAHN O=C(NCc1ccc(-c2ncon2)cc1)[C@H]1CCCN(Cc2ccco2)C1 ZINC000952989068 1011046649 /nfs/dbraw/zinc/04/66/49/1011046649.db2.gz HBFBFSYYHOJURV-KRWDZBQOSA-N 0 3 366.421 2.858 50 0 FFAAHN Cc1ccc(CN(CCN(C)C)C(=O)[C@H]2CC(=O)OC23CCCC3)cc1 ZINC000952988752 1011046887 /nfs/dbraw/zinc/04/68/87/1011046887.db2.gz PBIXPXWYCRERLN-GOSISDBHSA-N 0 3 358.482 2.761 50 0 FFAAHN O=C(/C=C\c1cc(Cl)c2c(c1)OCCO2)NC1CCN(C2CC2)CC1 ZINC000096793754 203927987 /nfs/dbraw/zinc/92/79/87/203927987.db2.gz LVWOQAQFUYNKAK-RJRFIUFISA-N 0 3 362.857 2.867 50 0 FFAAHN COc1ccccc1CNC[C@H](O)COc1cccc2c1OC(C)(C)C2 ZINC000003253418 204086410 /nfs/dbraw/zinc/08/64/10/204086410.db2.gz RNVMMGNJLLCPTG-KRWDZBQOSA-N 0 3 357.450 2.938 50 0 FFAAHN COc1ccc(C(=O)N2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1OC ZINC000002734978 204053583 /nfs/dbraw/zinc/05/35/83/204053583.db2.gz BEAACCIGIHRHBV-SOLBZPMBSA-N 0 3 356.466 2.674 50 0 FFAAHN CCC(C)(C)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008395010 204330213 /nfs/dbraw/zinc/33/02/13/204330213.db2.gz NTZZLGRZHDNLPG-CQSZACIVSA-N 0 3 367.515 2.576 50 0 FFAAHN COc1cn(-c2ccccc2)nc1C(=O)NCc1ccccc1CN(C)C ZINC000009917351 204386313 /nfs/dbraw/zinc/38/63/13/204386313.db2.gz AJZKQGUZRGVNGQ-UHFFFAOYSA-N 0 3 364.449 2.873 50 0 FFAAHN CN(C)Cc1ccccc1CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000009916957 204386343 /nfs/dbraw/zinc/38/63/43/204386343.db2.gz GOAOINKTGJPYGQ-UHFFFAOYSA-N 0 3 351.450 2.805 50 0 FFAAHN CN(C)CCNC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000010312720 204394038 /nfs/dbraw/zinc/39/40/38/204394038.db2.gz DUFGTXACTZNSKG-UHFFFAOYSA-N 0 3 359.857 2.813 50 0 FFAAHN O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CNCc1ccc(F)cc1 ZINC000014962798 204594071 /nfs/dbraw/zinc/59/40/71/204594071.db2.gz MDBPSJYBKPXWFR-HXUWFJFHSA-N 0 3 360.404 2.608 50 0 FFAAHN Cc1cccc(CN2CCC[C@@]3(CCN(c4cc(C)nc(N)n4)C3)C2=O)c1 ZINC000015072209 204602709 /nfs/dbraw/zinc/60/27/09/204602709.db2.gz WYCKFQGDWJBCKV-NRFANRHFSA-N 0 3 365.481 2.695 50 0 FFAAHN COc1ccc(CN(C[C@@H](O)COC(C)(C)C)C[C@@H]2CCCO2)cc1 ZINC000036095282 205003209 /nfs/dbraw/zinc/00/32/09/205003209.db2.gz YVTYJHGDYRRJHC-MJGOQNOKSA-N 0 3 351.487 2.852 50 0 FFAAHN C[C@@H]1CCCN(CCNC(=O)c2ccc(I)cc2)C1 ZINC000040107558 205056094 /nfs/dbraw/zinc/05/60/94/205056094.db2.gz STMIGBBSIQHNCI-GFCCVEGCSA-N 0 3 372.250 2.753 50 0 FFAAHN O=C(Nc1cnccn1)[C@@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000048299962 205155891 /nfs/dbraw/zinc/15/58/91/205155891.db2.gz OOXFCDFOXDTNEN-QGZVFWFLSA-N 0 3 362.437 2.513 50 0 FFAAHN CN1CCN(C(C)(C)CNCc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000048711025 205166393 /nfs/dbraw/zinc/16/63/93/205166393.db2.gz XJAXLVCMCZLBBE-UHFFFAOYSA-N 0 3 361.921 2.641 50 0 FFAAHN C[C@@H]1CN(C)CCN1CC1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000085468232 205169837 /nfs/dbraw/zinc/16/98/37/205169837.db2.gz SLQVGDNSOSMCGO-CYBMUJFWSA-N 0 3 355.935 2.890 50 0 FFAAHN O=C([C@@H]1CCCN2CCCC[C@H]12)N1CCN(Cc2cccc(F)c2)CC1 ZINC000055368781 205216317 /nfs/dbraw/zinc/21/63/17/205216317.db2.gz BLUPBCKLXUIBKY-WOJBJXKFSA-N 0 3 359.489 2.734 50 0 FFAAHN O=c1[nH]c2ccccc2n1C1CCN(CCCOCC(F)(F)F)CC1 ZINC000053604894 205194801 /nfs/dbraw/zinc/19/48/01/205194801.db2.gz NOOVSUHACQOWRC-UHFFFAOYSA-N 0 3 357.376 2.936 50 0 FFAAHN CC[C@@H](CO)N(Cc1ccsc1)Cc1cn(CC(N)=O)c2ccccc12 ZINC000055344200 205216696 /nfs/dbraw/zinc/21/66/96/205216696.db2.gz LDEFQKQGXFLEBY-KRWDZBQOSA-N 0 3 371.506 2.961 50 0 FFAAHN NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc[nH]c3=S)c2)CC1 ZINC000053996798 205198058 /nfs/dbraw/zinc/19/80/58/205198058.db2.gz FFFBNZRQXDYSMD-UHFFFAOYSA-N 0 3 370.478 2.694 50 0 FFAAHN CCN1CCN(Cc2ccccc2CNC(=O)NC[C@H]2CC=CCC2)CC1 ZINC000058406560 205274442 /nfs/dbraw/zinc/27/44/42/205274442.db2.gz NZDFHOIAZCOSST-IBGZPJMESA-N 0 3 370.541 2.980 50 0 FFAAHN CC[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)NC1CCN(C(C)=O)CC1 ZINC000058200859 205259193 /nfs/dbraw/zinc/25/91/93/205259193.db2.gz CVVWFBYFZLCJHJ-NHCUHLMSSA-N 0 3 371.525 2.772 50 0 FFAAHN C[C@@H](CNC(=O)Nc1ccc(C(F)(F)F)cc1)CN1CCN(C)CC1 ZINC000058203264 205260384 /nfs/dbraw/zinc/26/03/84/205260384.db2.gz RRVHYXQMRHMVCV-ZDUSSCGKSA-N 0 3 358.408 2.710 50 0 FFAAHN CCS(=O)(=O)c1ccccc1C(=O)N1CCC(N2CCCCC2)CC1 ZINC000058218347 205264314 /nfs/dbraw/zinc/26/43/14/205264314.db2.gz AFZDQLGTSXVTCV-UHFFFAOYSA-N 0 3 364.511 2.571 50 0 FFAAHN COc1cc([C@H](C)NC(=O)C(C)S(=O)(=O)C(C)C)ccc1OC(C)C ZINC000058368259 205272798 /nfs/dbraw/zinc/27/27/98/205272798.db2.gz HPPRQYSRSBYYHS-KBPBESRZSA-N 0 3 371.499 2.871 50 0 FFAAHN Cc1cccc([C@H](C(=O)NC2CCN(Cc3ccccn3)CC2)N(C)C)c1 ZINC000065372733 205341361 /nfs/dbraw/zinc/34/13/61/205341361.db2.gz SEKPIYVBNMYGIY-OAQYLSRUSA-N 0 3 366.509 2.774 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N[C@H](C)c3csc(C)n3)cnn2c1 ZINC000067673876 205380750 /nfs/dbraw/zinc/38/07/50/205380750.db2.gz ONAGJVUESJSMRP-GFCCVEGCSA-N 0 3 372.498 2.827 50 0 FFAAHN c1c(CNc2nc(-c3ccccc3)nc3c2CCNC3)nc2n1CCS2 ZINC000067654145 205380935 /nfs/dbraw/zinc/38/09/35/205380935.db2.gz LFZPRXCSWZFBQM-UHFFFAOYSA-N 0 3 364.478 2.704 50 0 FFAAHN Cc1ccc(C2(O)CCN(CCC(=O)NC3CCCCCC3)CC2)nc1 ZINC000067713985 205386507 /nfs/dbraw/zinc/38/65/07/205386507.db2.gz YVRHRGBTERGIIH-UHFFFAOYSA-N 0 3 359.514 2.903 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N(C)[C@H](C)c3ccncc3)cnn2c1 ZINC000067786787 205391345 /nfs/dbraw/zinc/39/13/45/205391345.db2.gz TVVNIFOWSJHKOD-OAHLLOKOSA-N 0 3 366.469 2.799 50 0 FFAAHN OC[C@@H](CNc1nc(-c2ccccc2)nc2c1CCNC2)Cc1ccco1 ZINC000067843180 205395758 /nfs/dbraw/zinc/39/57/58/205395758.db2.gz JFQIQTHSYVJTTD-OAHLLOKOSA-N 0 3 364.449 2.645 50 0 FFAAHN CCN(CC)CCSc1nnc(CNC(=O)c2ccc(F)cc2)o1 ZINC000005107465 206188067 /nfs/dbraw/zinc/18/80/67/206188067.db2.gz NVAWVILZSLPUPQ-UHFFFAOYSA-N 0 3 352.435 2.573 50 0 FFAAHN O=C(CNCCCN1CCOCC1)N(C1CCCCC1)C1CCCCC1 ZINC000007141480 206206351 /nfs/dbraw/zinc/20/63/51/206206351.db2.gz KDQTVTGEKXRMHC-UHFFFAOYSA-N 0 3 365.562 2.792 50 0 FFAAHN O=C1C[C@@H](NC2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1 ZINC000005647084 206241017 /nfs/dbraw/zinc/24/10/17/206241017.db2.gz ITQJDRUMVJXLTB-HXUWFJFHSA-N 0 3 363.461 2.573 50 0 FFAAHN CCN(CC)CCNS(=O)(=O)c1cc(C)c(C)cc1Br ZINC000170623946 206276995 /nfs/dbraw/zinc/27/69/95/206276995.db2.gz BFGBIBZQTNCMSW-UHFFFAOYSA-N 0 3 363.321 2.686 50 0 FFAAHN COc1cc(Br)c(CNC2CCN(C(C)=O)CC2)cc1OC ZINC000017317143 206323057 /nfs/dbraw/zinc/32/30/57/206323057.db2.gz YVAVQVCNVBJSGP-UHFFFAOYSA-N 0 3 371.275 2.567 50 0 FFAAHN Cc1ncsc1CN(C)C[C@H]1CCN(Cc2ncc(Cl)n2C)C1 ZINC000195264308 206332008 /nfs/dbraw/zinc/33/20/08/206332008.db2.gz BYYSWDBKMNJVLD-CYBMUJFWSA-N 0 3 353.923 2.792 50 0 FFAAHN O=C1N[C@H]2CCC[C@@H]1CN(Cc1cccc(OCCN3CCCCC3)c1)C2 ZINC000215016753 206343536 /nfs/dbraw/zinc/34/35/36/206343536.db2.gz NTWGXLUDBYVPPN-UXHICEINSA-N 0 3 371.525 2.652 50 0 FFAAHN CC(C)c1cc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c([O-])c(C(C)C)c1 ZINC000216470308 206360065 /nfs/dbraw/zinc/36/00/65/206360065.db2.gz JOALCNGFHLHQDR-QGZVFWFLSA-N 0 3 359.514 2.759 50 0 FFAAHN CN1CC[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)[C@H]1c1ccccc1 ZINC000276905093 256141394 /nfs/dbraw/zinc/14/13/94/256141394.db2.gz WJYWWKMCXPVZHL-MTQWCTHYSA-N 0 3 351.450 2.721 50 0 FFAAHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000329757889 258146590 /nfs/dbraw/zinc/14/65/90/258146590.db2.gz ZQNRQPDDAJNKKO-SLYNCCJLSA-N 0 3 358.482 2.632 50 0 FFAAHN [NH3+][C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)C[C@H]1c1ccccc1F ZINC000333243548 258257767 /nfs/dbraw/zinc/25/77/67/258257767.db2.gz FHFQCBKMBANQQP-PKOBYXMFSA-N 0 3 354.425 2.977 50 0 FFAAHN CSc1nccc(N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)n1 ZINC000091663189 132202955 /nfs/dbraw/zinc/20/29/55/132202955.db2.gz NOAJUAXRUADGIC-UHFFFAOYSA-N 0 3 372.542 2.931 50 0 FFAAHN CC[C@H](NC(=O)CCN1CCN(c2cccc(C)c2)CC1)c1ccnn1C ZINC000095382194 132209747 /nfs/dbraw/zinc/20/97/47/132209747.db2.gz ONRUULFBODWRLN-IBGZPJMESA-N 0 3 369.513 2.508 50 0 FFAAHN OCC[C@@H]1CN(c2cc(N3CCCCC3)ncn2)CCN1C1CCCCC1 ZINC000072428338 136146589 /nfs/dbraw/zinc/14/65/89/136146589.db2.gz UBHBKKGGPHHRTO-LJQANCHMSA-N 0 3 373.545 2.673 50 0 FFAAHN O=C(NCc1ccccn1)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065312147 506285205 /nfs/dbraw/zinc/28/52/05/506285205.db2.gz VXZSLTRWKCVZMY-FQEVSTJZSA-N 0 3 373.460 2.558 50 0 FFAAHN COc1ccc(C(C)=O)cc1CC(=O)NCc1ccccc1CN(C)C ZINC000032744909 506289610 /nfs/dbraw/zinc/28/96/10/506289610.db2.gz 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/nfs/dbraw/zinc/80/91/88/506809188.db2.gz VVWOEYSOQSNFRR-NRFANRHFSA-N 0 3 374.431 2.950 50 0 FFAAHN COc1ccccc1Oc1ncccc1CNC1CCN(C(C)=O)CC1 ZINC000012442284 506864044 /nfs/dbraw/zinc/86/40/44/506864044.db2.gz MQBSVRXIYXMGAE-UHFFFAOYSA-N 0 3 355.438 2.983 50 0 FFAAHN CN(C[C@@H]1CCCN1C)C(=O)c1coc(COc2cccc(F)c2F)n1 ZINC000014960371 507007203 /nfs/dbraw/zinc/00/72/03/507007203.db2.gz OMXLILQSWWRLGE-LBPRGKRZSA-N 0 3 365.380 2.698 50 0 FFAAHN O=C1N(CC2CC2)CCC[C@@]1(O)CNCc1ccc(C(F)(F)F)cc1 ZINC000015063515 507015626 /nfs/dbraw/zinc/01/56/26/507015626.db2.gz NOBQKGZPHAINLI-QGZVFWFLSA-N 0 3 356.388 2.559 50 0 FFAAHN COc1ccc2c(C)nc(N3CCCO[C@@H](CN4CCCC4)C3)nc2c1 ZINC000067982805 507074464 /nfs/dbraw/zinc/07/44/64/507074464.db2.gz NWTGHQZZOHEPGL-KRWDZBQOSA-N 0 3 356.470 2.638 50 0 FFAAHN CC[C@@H](Oc1ccc(Br)cc1)C(=O)NC1CCN(C)CC1 ZINC000016603384 507098103 /nfs/dbraw/zinc/09/81/03/507098103.db2.gz VQTMYJLNTVHMHN-OAHLLOKOSA-N 0 3 355.276 2.817 50 0 FFAAHN Cc1ccc(OCCNCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000016695461 507103297 /nfs/dbraw/zinc/10/32/97/507103297.db2.gz WMAUEVYEAXFLLT-INIZCTEOSA-N 0 3 370.449 2.612 50 0 FFAAHN COc1ccc(OCCNCC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000016695404 507103819 /nfs/dbraw/zinc/10/38/19/507103819.db2.gz DWRSIHWPBAHWHW-FQEVSTJZSA-N 0 3 354.450 2.857 50 0 FFAAHN COc1ccc(CN2CCN(CC(C)C)[C@@H](CCO)C2)c(OC)c1C ZINC000019839902 507203287 /nfs/dbraw/zinc/20/32/87/507203287.db2.gz RUEIBFIFDUSPBA-SFHVURJKSA-N 0 3 350.503 2.537 50 0 FFAAHN Cn1ncc2c3nc([C@H]4CCCN(Cc5ccc(F)cc5)C4)nn3cnc21 ZINC000020044882 507210962 /nfs/dbraw/zinc/21/09/62/507210962.db2.gz OWSXEXJITBTBSQ-AWEZNQCLSA-N 0 3 365.416 2.530 50 0 FFAAHN COc1ccc(Cl)cc1NC(=O)CC1C(=O)N=C2Nc3ccccc3N21 ZINC000020102407 507211050 /nfs/dbraw/zinc/21/10/50/507211050.db2.gz UUQRQBRFXNVQIG-AWEZNQCLSA-N 0 3 370.796 2.874 50 0 FFAAHN Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)s1 ZINC000020998766 507239499 /nfs/dbraw/zinc/23/94/99/507239499.db2.gz DLWNVIWDKJERFL-AWEZNQCLSA-N 0 3 361.515 2.540 50 0 FFAAHN O=C(CNCCN1CCOCC1)Nc1ccccc1Sc1ccccc1 ZINC000022030184 507277469 /nfs/dbraw/zinc/27/74/69/507277469.db2.gz FLVHVDXTOAKERD-UHFFFAOYSA-N 0 3 371.506 2.698 50 0 FFAAHN Cc1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccco3)CC2)cc1C ZINC000023127503 507332231 /nfs/dbraw/zinc/33/22/31/507332231.db2.gz VCRORVVCRDYEPZ-UHFFFAOYSA-N 0 3 369.465 2.863 50 0 FFAAHN COc1cc(CN2CCN(C3CCCCC3)C[C@@H]2CCO)cc(OC)c1 ZINC000023358114 507348096 /nfs/dbraw/zinc/34/80/96/507348096.db2.gz YJPFNELNPVBIRR-IBGZPJMESA-N 0 3 362.514 2.905 50 0 FFAAHN CCN(CC)CCc1nnc(NC(=O)NCc2csc(C)n2)s1 ZINC000023505005 507357013 /nfs/dbraw/zinc/35/70/13/507357013.db2.gz NEZKEOBYNNSCIQ-UHFFFAOYSA-N 0 3 354.505 2.509 50 0 FFAAHN CC(C)(C)CC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058178391 507380330 /nfs/dbraw/zinc/38/03/30/507380330.db2.gz MWMLWORQXCJSIB-GOSISDBHSA-N 0 3 358.530 2.878 50 0 FFAAHN CCN(CC)[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)c1cccc(OC)c1 ZINC000025044982 507461005 /nfs/dbraw/zinc/46/10/05/507461005.db2.gz GOOTXIPUFPOQGG-LJQANCHMSA-N 0 3 367.449 2.782 50 0 FFAAHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1Cc1ccccc1 ZINC000069386799 507479810 /nfs/dbraw/zinc/47/98/10/507479810.db2.gz VTRKPRFIFWWSNH-WOJBJXKFSA-N 0 3 350.462 2.870 50 0 FFAAHN CCN1CCN(C2(CNC(=O)COc3cccc(C)c3)CCCCC2)CC1 ZINC000028403238 507723097 /nfs/dbraw/zinc/72/30/97/507723097.db2.gz KOSNFOZFEFTZBZ-UHFFFAOYSA-N 0 3 373.541 2.830 50 0 FFAAHN CC(C)[C@H]1CN(C(=O)CCCC(N)=O)CCCN1Cc1ccc(F)cc1 ZINC000072126745 507751267 /nfs/dbraw/zinc/75/12/67/507751267.db2.gz HMAVCBCWKILRCJ-GOSISDBHSA-N 0 3 363.477 2.540 50 0 FFAAHN COc1ccccc1[C@H]1CN(Cc2snnc2C)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072154956 507762934 /nfs/dbraw/zinc/76/29/34/507762934.db2.gz MXLBIKAXWGCIGI-NSISKUIASA-N 0 3 370.522 2.917 50 0 FFAAHN Cc1nc[nH]c1CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072171384 507769309 /nfs/dbraw/zinc/76/93/09/507769309.db2.gz BMJYSXVFYAGMGW-MAODMQOUSA-N 0 3 366.465 2.509 50 0 FFAAHN Cc1cccc(Cl)c1CN1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 ZINC000072417880 507786141 /nfs/dbraw/zinc/78/61/41/507786141.db2.gz PPROUYSYHNKGEM-MAUKXSAKSA-N 0 3 350.890 2.844 50 0 FFAAHN Cc1cc2nc(-c3ccccc3)cc(NCCN3CCC[C@H](CO)C3)n2n1 ZINC000072418545 507786489 /nfs/dbraw/zinc/78/64/89/507786489.db2.gz JLURPILCOHDFSC-KRWDZBQOSA-N 0 3 365.481 2.821 50 0 FFAAHN O=C(c1cccc(CO)c1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072422893 507787769 /nfs/dbraw/zinc/78/77/69/507787769.db2.gz NEBDENPWCHCHHT-UHFFFAOYSA-N 0 3 350.462 2.842 50 0 FFAAHN CN1CCC(N(CCc2ccccc2)C(=O)c2c[nH]c(=O)c(Cl)c2)CC1 ZINC000072429550 507789490 /nfs/dbraw/zinc/78/94/90/507789490.db2.gz CEJKBTYEDSKGBI-UHFFFAOYSA-N 0 3 373.884 2.807 50 0 FFAAHN COC(=O)c1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000029837658 507792376 /nfs/dbraw/zinc/79/23/76/507792376.db2.gz UDPFASZSHCKCBS-UHFFFAOYSA-N 0 3 352.434 2.651 50 0 FFAAHN COc1ccc(CCCC(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)cc1 ZINC000072476903 507796191 /nfs/dbraw/zinc/79/61/91/507796191.db2.gz WNYQZUXYHYBYHO-GOSISDBHSA-N 0 3 374.525 2.977 50 0 FFAAHN Cc1ccc2c(cc(CN3CCC4(CCC(=O)N(CCO)C4)CC3)n2C)c1 ZINC000091586148 507993996 /nfs/dbraw/zinc/99/39/96/507993996.db2.gz QZIDILPXYHPVSW-UHFFFAOYSA-N 0 3 369.509 2.684 50 0 FFAAHN Cc1oncc1C(=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 ZINC000091624821 507996857 /nfs/dbraw/zinc/99/68/57/507996857.db2.gz NATRBMCVGDUDKF-MAUKXSAKSA-N 0 3 351.450 2.687 50 0 FFAAHN CN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)cn1 ZINC000091915128 508024573 /nfs/dbraw/zinc/02/45/73/508024573.db2.gz HSGLQHQBIZRMHD-VQTJNVASSA-N 0 3 364.493 2.771 50 0 FFAAHN COc1cccc(OC)c1CN1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 ZINC000095355224 508174436 /nfs/dbraw/zinc/17/44/36/508174436.db2.gz VQUHXFZMICGMNJ-DYESRHJHSA-N 0 3 355.434 2.674 50 0 FFAAHN O=C(NCc1nc(-c2ccccc2)no1)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095354567 508174742 /nfs/dbraw/zinc/17/47/42/508174742.db2.gz AWMABKLCOSODBK-INIZCTEOSA-N 0 3 366.421 2.858 50 0 FFAAHN Cc1ocnc1C(=O)N1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095369970 508178524 /nfs/dbraw/zinc/17/85/24/508178524.db2.gz NMUNKOQEWOCWCW-DFQSSKMNSA-N 0 3 351.450 2.994 50 0 FFAAHN O=C(NCc1cccc(-n2cccn2)c1)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000095371286 508178533 /nfs/dbraw/zinc/17/85/33/508178533.db2.gz XMNGIUAPDRCMQG-GOSISDBHSA-N 0 3 364.449 2.994 50 0 FFAAHN Cc1nn(C)cc1C(=O)N1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095378029 508180725 /nfs/dbraw/zinc/18/07/25/508180725.db2.gz SKQVUKDWLIZJCN-PWRODBHTSA-N 0 3 364.493 2.739 50 0 FFAAHN Cc1nc(N)sc1C(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000095378411 508180851 /nfs/dbraw/zinc/18/08/51/508180851.db2.gz JUJNYAZEWPBQDQ-JKSUJKDBSA-N 0 3 356.495 2.770 50 0 FFAAHN CCn1nc(C)c(CCNC(=O)C2CCN(Cc3ccco3)CC2)c1C ZINC000095390334 508183394 /nfs/dbraw/zinc/18/33/94/508183394.db2.gz DDOQCOHOWNLRBQ-UHFFFAOYSA-N 0 3 358.486 2.684 50 0 FFAAHN CC(C)S(=O)(=O)CC(=O)Nc1cccc(CCN2C[C@H](C)[C@@H](C)C2)c1 ZINC000095465471 508187132 /nfs/dbraw/zinc/18/71/32/508187132.db2.gz GYKVQUULWFKIFU-HOTGVXAUSA-N 0 3 366.527 2.579 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)Cc1c(C)[nH]nc1-c1ccc(OC)cc1 ZINC000095472750 508188253 /nfs/dbraw/zinc/18/82/53/508188253.db2.gz FYDRBBYVQCMKEH-INIZCTEOSA-N 0 3 356.470 2.537 50 0 FFAAHN CN(Cc1ccon1)Cc1ccccc1OC[C@@H](O)CN1CCCCC1 ZINC000095501553 508190665 /nfs/dbraw/zinc/19/06/65/508190665.db2.gz VMCKPOSJALNTHH-IBGZPJMESA-N 0 3 359.470 2.532 50 0 FFAAHN CC(C)c1cc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)on1 ZINC000095511086 508192990 /nfs/dbraw/zinc/19/29/90/508192990.db2.gz YKNQDDGTKADBPR-OAHLLOKOSA-N 0 3 359.474 2.576 50 0 FFAAHN COc1ccccc1Cc1nc(-c2ccnn2C)n(C2CCN(C)CC2)n1 ZINC000095511887 508193167 /nfs/dbraw/zinc/19/31/67/508193167.db2.gz KDKYXSFSOLBJIP-UHFFFAOYSA-N 0 3 366.469 2.545 50 0 FFAAHN O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1cccs1)CC2 ZINC000095519273 508193974 /nfs/dbraw/zinc/19/39/74/508193974.db2.gz MIIOHNDZWUYEML-UHFFFAOYSA-N 0 3 356.495 2.757 50 0 FFAAHN O=C(C1CC1)N1CCc2nc[nH]c2C12CCN(Cc1cccs1)CC2 ZINC000095519273 508193978 /nfs/dbraw/zinc/19/39/78/508193978.db2.gz 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508218890 /nfs/dbraw/zinc/21/88/90/508218890.db2.gz DYZOHXVVHUIPKY-OALUTQOASA-N 0 3 374.456 2.520 50 0 FFAAHN Cc1cnc2c(cccc2S(=O)(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1 ZINC000097104266 508219460 /nfs/dbraw/zinc/21/94/60/508219460.db2.gz DOANCMYCYVZVON-GOEBONIOSA-N 0 3 361.511 2.942 50 0 FFAAHN Cc1cc2nc(C(=O)NCCN3CC[C@@H](c4ccccc4)C3)cc(C)n2n1 ZINC000097301263 508223435 /nfs/dbraw/zinc/22/34/35/508223435.db2.gz AFEBUEKEYDACIH-GOSISDBHSA-N 0 3 363.465 2.565 50 0 FFAAHN O=C1CC[C@]2(CCCN(Cc3cnc[nH]3)C2)CN1CCc1ccccc1 ZINC000082098082 508225700 /nfs/dbraw/zinc/22/57/00/508225700.db2.gz NZCWBWOPHODGAA-NRFANRHFSA-N 0 3 352.482 2.857 50 0 FFAAHN COc1ccc([C@]2(C(=O)N3CCC(OCCN(C)C)CC3)CC2(C)C)cc1 ZINC000097527239 508225786 /nfs/dbraw/zinc/22/57/86/508225786.db2.gz BAWHJVDRPKDJQU-QFIPXVFZSA-N 0 3 374.525 2.932 50 0 FFAAHN Cc1ccc(CN2CCC(CNC(=O)[C@H]3CC(=O)OC34CCCC4)CC2)o1 ZINC000097505861 508226114 /nfs/dbraw/zinc/22/61/14/508226114.db2.gz WATWVPPFIZDFON-GOSISDBHSA-N 0 3 374.481 2.792 50 0 FFAAHN COc1ccccc1CN1CCN(C(=O)[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000097570742 508226507 /nfs/dbraw/zinc/22/65/07/508226507.db2.gz ABBJGXRBKFWTHZ-WOJBJXKFSA-N 0 3 371.525 2.604 50 0 FFAAHN c1ncn(CCN2CCN(CC(c3ccccc3)c3ccccc3)CC2)n1 ZINC000097610152 508227208 /nfs/dbraw/zinc/22/72/08/508227208.db2.gz BGCMUPBOQZZXPW-UHFFFAOYSA-N 0 3 361.493 2.728 50 0 FFAAHN CN1CCc2[nH]nc(C(=O)N(Cc3ccsc3)Cc3cccnc3)c2C1 ZINC000097674353 508228150 /nfs/dbraw/zinc/22/81/50/508228150.db2.gz PJURDYWNLKNJDR-UHFFFAOYSA-N 0 3 367.478 2.697 50 0 FFAAHN O=C([C@@H]1CCOc2ccccc2C1)N1CCC(N2CCSCC2)CC1 ZINC000097785290 508229745 /nfs/dbraw/zinc/22/97/45/508229745.db2.gz BRQADJNVQSKKJN-QGZVFWFLSA-N 0 3 360.523 2.668 50 0 FFAAHN Cc1c2cc(CNC(=O)[C@@H](N)CCO)ccc2[nH]c1-c1ccccc1F ZINC000077355860 508304396 /nfs/dbraw/zinc/30/43/96/508304396.db2.gz GGJXZUFBAIGNSR-KRWDZBQOSA-N 0 3 355.413 2.608 50 0 FFAAHN COc1c(C)cc(C)cc1CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 ZINC000077390108 508309512 /nfs/dbraw/zinc/30/95/12/508309512.db2.gz 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COCCN1CCC[C@]2(CCN(Cc3cc(-c4ccccc4)no3)C2)C1=O ZINC000091585528 523837438 /nfs/dbraw/zinc/83/74/38/523837438.db2.gz XUGDYEKYJMVWOH-OAQYLSRUSA-N 0 3 369.465 2.803 50 0 FFAAHN CN1CCN(Cn2cc(CCC(=O)N3CCCCC3)c3ccccc32)CC1 ZINC000020648904 523912571 /nfs/dbraw/zinc/91/25/71/523912571.db2.gz QEEXNYIHIGQUAH-UHFFFAOYSA-N 0 3 368.525 2.791 50 0 FFAAHN Cc1nnc(CCCN(C)C[C@@H](O)COc2ccccc2C(F)(F)F)o1 ZINC000089736307 526327486 /nfs/dbraw/zinc/32/74/86/526327486.db2.gz VTWSPFWFRSJEJF-CYBMUJFWSA-N 0 3 373.375 2.701 50 0 FFAAHN COc1ccc(CN(C[C@H](O)COCC(C)C)C[C@H]2CCCO2)cc1 ZINC000104971304 570865812 /nfs/dbraw/zinc/86/58/12/570865812.db2.gz FBJRBSUXAZHVGD-AZUAARDMSA-N 0 3 351.487 2.710 50 0 FFAAHN COCCn1cncc1CN1CCC(c2nc3ccc(F)cc3[nH]2)CC1 ZINC000252480274 571131347 /nfs/dbraw/zinc/13/13/47/571131347.db2.gz BZGHWOBCTJMVAC-UHFFFAOYSA-N 0 3 357.433 2.925 50 0 FFAAHN COc1cc(Cl)ccc1C(=O)N1CCC[C@H](N2CCC(CO)CC2)C1 ZINC000072144781 571172610 /nfs/dbraw/zinc/17/26/10/571172610.db2.gz 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COc1cc(Cl)c(S(=O)(=O)NCC(C)(C)N(C)C)cc1Cl ZINC001506430158 1059516964 /nfs/dbraw/zinc/51/69/64/1059516964.db2.gz XYXICXRQOLJGOG-UHFFFAOYSA-N 0 3 355.287 2.621 50 0 FFAAHN COc1ccc(F)cc1[C@H](C(=O)[O-])N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC001506431309 1059517795 /nfs/dbraw/zinc/51/77/95/1059517795.db2.gz HVECAGKAIVHKAP-LJQANCHMSA-N 0 3 373.428 2.876 50 0 FFAAHN Cc1ccc(C)c(-c2n[nH]cc2CN2C[C@@H](Cc3cnccn3)[C@H](O)C2)c1 ZINC001529167994 1062199292 /nfs/dbraw/zinc/19/92/92/1062199292.db2.gz UZWZNOSCHIHTSK-OXQOHEQNSA-N 0 3 363.465 2.519 50 0 FFAAHN CN(C)[C@H](CNC(=O)C(=O)Nc1nccs1)c1cccc2ccccc21 ZINC000010333825 204011033 /nfs/dbraw/zinc/01/10/33/204011033.db2.gz ZWHQUWQHSSRECE-MRXNPFEDSA-N 0 3 368.462 2.654 50 0 FFAAHN O=C1C[C@@H](NCCc2ccc(Cl)cc2)C(=O)N1CCc1ccccc1 ZINC000005051416 204188283 /nfs/dbraw/zinc/18/82/83/204188283.db2.gz QDMRYMPYKXJHMO-GOSISDBHSA-N 0 3 356.853 2.842 50 0 FFAAHN CCOc1cc(CNCCCSc2nnnn2C)cc(Cl)c1OC ZINC000006767748 204268649 /nfs/dbraw/zinc/26/86/49/204268649.db2.gz 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/nfs/dbraw/zinc/20/52/75/205205275.db2.gz IAUIMYFCIQVOAV-AWEZNQCLSA-N 0 3 374.460 2.579 50 0 FFAAHN CCCNC(=O)CNC1(c2cccc(Br)c2)CCOCC1 ZINC000055055549 205205321 /nfs/dbraw/zinc/20/53/21/205205321.db2.gz XYSHEYBCOGCALE-UHFFFAOYSA-N 0 3 355.276 2.571 50 0 FFAAHN CCc1c(C)nn(CCNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)c1C ZINC000055108723 205206516 /nfs/dbraw/zinc/20/65/16/205206516.db2.gz VKVNVTTXPKUXBM-QGZVFWFLSA-N 0 3 358.486 2.684 50 0 FFAAHN O=C([C@@H]1CC=CCC1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058174364 205254109 /nfs/dbraw/zinc/25/41/09/205254109.db2.gz DFQDAYNTMCOZQN-WOJBJXKFSA-N 0 3 368.525 2.799 50 0 FFAAHN CC(C)C(=O)Nc1nc(CC(=O)NC[C@@H](C)N2CCC(C)CC2)cs1 ZINC000058245195 205266379 /nfs/dbraw/zinc/26/63/79/205266379.db2.gz XLEYYPPKAFNSLX-CQSZACIVSA-N 0 3 366.531 2.517 50 0 FFAAHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Cc1csc(-c2cccnc2)n1 ZINC000058290996 205267926 /nfs/dbraw/zinc/26/79/26/205267926.db2.gz MUFNKSOPHQVVDX-LSDHHAIUSA-N 0 3 358.511 2.984 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)c1cccc(CSc2nccn2C)c1 ZINC000058282420 205269041 /nfs/dbraw/zinc/26/90/41/205269041.db2.gz XFTBWKBAIRCIKP-QGZVFWFLSA-N 0 3 358.511 2.927 50 0 FFAAHN COCCOc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000058441740 205276308 /nfs/dbraw/zinc/27/63/08/205276308.db2.gz DJDSWFMLMRNXFK-SFHVURJKSA-N 0 3 370.453 2.503 50 0 FFAAHN C[C@H]1CCCCN1CCNC(=O)c1cc2c(c3ccccc3oc2=O)n1C ZINC000064838982 205305747 /nfs/dbraw/zinc/30/57/47/205305747.db2.gz FGODRJCBVGSJFR-AWEZNQCLSA-N 0 3 367.449 2.889 50 0 FFAAHN COCCN1CC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CCC2)C1 ZINC000065499833 205354738 /nfs/dbraw/zinc/35/47/38/205354738.db2.gz IFYVAYUTVYFPIN-OAHLLOKOSA-N 0 3 350.890 2.846 50 0 FFAAHN Cc1cc(NC(=O)CNCCc2nc(-c3cccnc3)n[nH]2)ccc1Cl ZINC000065371299 205339579 /nfs/dbraw/zinc/33/95/79/205339579.db2.gz DJLPJXYWUGYLKR-UHFFFAOYSA-N 0 3 370.844 2.599 50 0 FFAAHN CC(C)c1ccc(CN2CCC[C@@](O)(CNCc3ccncc3)C2=O)cc1 ZINC000067541825 205374800 /nfs/dbraw/zinc/37/48/00/205374800.db2.gz ABJYNPPNFAUHLR-JOCHJYFZSA-N 0 3 367.493 2.848 50 0 FFAAHN CC(C)c1csc(C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)n1 ZINC000067820555 205394161 /nfs/dbraw/zinc/39/41/61/205394161.db2.gz MEIUJFAQOXQFQD-UHFFFAOYSA-N 0 3 350.532 2.509 50 0 FFAAHN OC[C@H](CNc1nc(-c2ccccc2)nc2c1CCNC2)Cc1ccco1 ZINC000067843183 205396655 /nfs/dbraw/zinc/39/66/55/205396655.db2.gz JFQIQTHSYVJTTD-HNNXBMFYSA-N 0 3 364.449 2.645 50 0 FFAAHN CCCN1CCCN(C(=O)c2cc(CN(C)Cc3ccccc3)on2)CC1 ZINC000067872800 205399771 /nfs/dbraw/zinc/39/97/71/205399771.db2.gz ZLPUTQUPVYQUGJ-UHFFFAOYSA-N 0 3 370.497 2.865 50 0 FFAAHN Cn1cccc1-c1cc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)[nH]n1 ZINC000091724697 205689031 /nfs/dbraw/zinc/68/90/31/205689031.db2.gz PYKTUGZAJKFYGZ-IBGZPJMESA-N 0 3 363.465 2.982 50 0 FFAAHN O=C(CN1CCCCCCC1)N1CC[C@@]2(C1)CCCN(CC1CC1)C2=O ZINC000091893565 205700732 /nfs/dbraw/zinc/70/07/32/205700732.db2.gz NOLUHRNOUQISHT-OAQYLSRUSA-N 0 3 361.530 2.504 50 0 FFAAHN COc1cccc([C@H]2CN(C(=O)c3cccn3C)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095391606 205751790 /nfs/dbraw/zinc/75/17/90/205751790.db2.gz XDOQHIJGSNCYCN-HMXCVIKNSA-N 0 3 365.477 2.736 50 0 FFAAHN COc1ccc(CN2CCN(C)[C@@]3(C2)CCNC(=O)CC3)c2ccccc12 ZINC000107399114 206018624 /nfs/dbraw/zinc/01/86/24/206018624.db2.gz XURYVKMCBUTHTB-JOCHJYFZSA-N 0 3 367.493 2.635 50 0 FFAAHN CSCC[C@H]1NC(=S)N(Cc2ccccc2CN2CCCC2)C1=O ZINC000012997377 206298699 /nfs/dbraw/zinc/29/86/99/206298699.db2.gz ICGMPPVOOYCQPO-MRXNPFEDSA-N 0 3 363.552 2.621 50 0 FFAAHN C[C@@H]1C[C@H](C)CN(CCNC(=O)[C@H]2CC(c3ccc(Cl)s3)=NO2)C1 ZINC000106752744 206312757 /nfs/dbraw/zinc/31/27/57/206312757.db2.gz BHFAXSIHOROYLX-MBNYWOFBSA-N 0 3 369.918 2.989 50 0 FFAAHN Cc1ccc(CN2CCC(CNC(=O)Cn3nc(C)c(C)c3C)CC2)o1 ZINC000216006595 206354196 /nfs/dbraw/zinc/35/41/96/206354196.db2.gz QYLODRRTQPPVER-UHFFFAOYSA-N 0 3 358.486 2.738 50 0 FFAAHN CN(Cc1ccccc1CN1CCCC1)C(=O)c1nnc2n1CCCCC2 ZINC000221289466 206407845 /nfs/dbraw/zinc/40/78/45/206407845.db2.gz SCFTYFGNFUEIKT-UHFFFAOYSA-N 0 3 367.497 2.873 50 0 FFAAHN CN(C)CCOc1cc(C(=O)Nc2ccc3c(c2)CCCN3C)ccn1 ZINC000095453130 132211073 /nfs/dbraw/zinc/21/10/73/132211073.db2.gz UWUNPLHKHNBWQG-UHFFFAOYSA-N 0 3 354.454 2.657 50 0 FFAAHN OCC[C@H]1CN(c2cc(N3CCCCC3)ncn2)CCN1C1CCCCC1 ZINC000106969766 132240797 /nfs/dbraw/zinc/24/07/97/132240797.db2.gz UBHBKKGGPHHRTO-IBGZPJMESA-N 0 3 373.545 2.673 50 0 FFAAHN Cc1cc(F)ccc1S(=O)(=O)NCC1CCN(c2ccncc2)CC1 ZINC000070922098 136138601 /nfs/dbraw/zinc/13/86/01/136138601.db2.gz NITVLPNIEYZCIE-UHFFFAOYSA-N 0 3 363.458 2.724 50 0 FFAAHN Cc1nc(C(C)C)cc(N2CCC[C@]3(CCC(=O)N(CCN(C)C)C3)C2)n1 ZINC000072423720 136146206 /nfs/dbraw/zinc/14/62/06/136146206.db2.gz FNUUJRXNIORBRZ-NRFANRHFSA-N 0 3 373.545 2.679 50 0 FFAAHN Cc1[nH]c(-c2ccc(C)c(C)c2)cc1C(=O)NCCCN1CCN(C)CC1 ZINC000033139660 506340499 /nfs/dbraw/zinc/34/04/99/506340499.db2.gz RFRFIDWKFJIMEP-UHFFFAOYSA-N 0 3 368.525 2.974 50 0 FFAAHN CC(C)N1CCN(Cc2ccc(Oc3ncccn3)cc2)C[C@H]1CCO ZINC000036385591 506405032 /nfs/dbraw/zinc/40/50/32/506405032.db2.gz GKJNVSMVTWGGQJ-GOSISDBHSA-N 0 3 356.470 2.546 50 0 FFAAHN COc1ccc([C@@H]2NC(=N)NC(=N)N2c2ccc(Cl)cc2)cc1OC ZINC000006713539 506499007 /nfs/dbraw/zinc/49/90/07/506499007.db2.gz LAYFRVKCQRHPBM-OAHLLOKOSA-N 0 3 359.817 2.505 50 0 FFAAHN Cc1cc(C)c(C(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)c(=O)[nH]1 ZINC000011813444 506795416 /nfs/dbraw/zinc/79/54/16/506795416.db2.gz BPPZHLLQBYXNEQ-LJQANCHMSA-N 0 3 367.493 2.819 50 0 FFAAHN O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCCN1CC1CCCCC1 ZINC000012223725 506838386 /nfs/dbraw/zinc/83/83/86/506838386.db2.gz LZEZWMVCLHTUQO-SFHVURJKSA-N 0 3 354.458 2.646 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012322488 506848212 /nfs/dbraw/zinc/84/82/12/506848212.db2.gz LXNYFXUDUHBFNT-ZDUSSCGKSA-N 0 3 368.359 2.970 50 0 FFAAHN Cc1ccc(-n2cc(CN(CCO)CCO)c(-c3ccc(F)cc3)n2)cc1 ZINC000012373171 506855507 /nfs/dbraw/zinc/85/55/07/506855507.db2.gz GASDQGLTQURASL-UHFFFAOYSA-N 0 3 369.440 2.773 50 0 FFAAHN CN(Cc1ccc(Oc2ccccc2)cc1)C[C@@]1(O)CCCN(C)C1=O ZINC000012385494 506857537 /nfs/dbraw/zinc/85/75/37/506857537.db2.gz PQHZFJGBJCLWGY-NRFANRHFSA-N 0 3 354.450 2.894 50 0 FFAAHN COc1ccc(CCN2CCC[C@H](CN(C)C(=O)c3cnsn3)C2)cc1 ZINC000012440252 506863971 /nfs/dbraw/zinc/86/39/71/506863971.db2.gz NEGQVQZZATYPKR-MRXNPFEDSA-N 0 3 374.510 2.573 50 0 FFAAHN O=C1O[C@@H]2CN(C3CCOCC3)C[C@@H]2N1CCc1cccc(Cl)c1 ZINC000012455097 506868758 /nfs/dbraw/zinc/86/87/58/506868758.db2.gz ZMAMUOODXUYBEN-DLBZAZTESA-N 0 3 350.846 2.567 50 0 FFAAHN CC(=O)Nc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000014181472 506975110 /nfs/dbraw/zinc/97/51/10/506975110.db2.gz NPQQSRMGUUJMJR-UHFFFAOYSA-N 0 3 365.477 2.968 50 0 FFAAHN COC[C@H](C)N1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCC(C)C ZINC000014732751 506997525 /nfs/dbraw/zinc/99/75/25/506997525.db2.gz BLSXTYVUHJJKRL-KRWDZBQOSA-N 0 3 367.534 2.822 50 0 FFAAHN CN1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014742641 506999858 /nfs/dbraw/zinc/99/98/58/506999858.db2.gz FPXZSUKLPAKLJW-UHFFFAOYSA-N 0 3 364.449 2.510 50 0 FFAAHN CCOc1ccc(NC(=O)CC2C(=O)N=C3Nc4ccccc4N32)cc1 ZINC000020102373 507210472 /nfs/dbraw/zinc/21/04/72/507210472.db2.gz NVXOGZZUUIIAKO-MRXNPFEDSA-N 0 3 350.378 2.611 50 0 FFAAHN COc1ccc(CN2CCN(C(C)C)[C@@H](CCO)C2)c(Cl)c1OC ZINC000020600220 507228004 /nfs/dbraw/zinc/22/80/04/507228004.db2.gz GONNUQYOWJQBSF-HNNXBMFYSA-N 0 3 356.894 2.634 50 0 FFAAHN CC(=O)N[C@@H](CC(=O)NC[C@@H](c1ccccc1)N(C)C)c1cccs1 ZINC000021305676 507250147 /nfs/dbraw/zinc/25/01/47/507250147.db2.gz MIDNVKZXBVRWNO-IRXDYDNUSA-N 0 3 359.495 2.735 50 0 FFAAHN CCN(CC)[C@@H](CNC(=O)Cc1c(C)nn(C)c1C)c1cccc(OC)c1 ZINC000022700972 507305177 /nfs/dbraw/zinc/30/51/77/507305177.db2.gz LFUZGLWOVKGSSF-FQEVSTJZSA-N 0 3 372.513 2.787 50 0 FFAAHN OCC[C@H]1CN(Cc2cccc(O)c2)CCN1CCCc1ccccc1 ZINC000022919576 507320025 /nfs/dbraw/zinc/32/00/25/507320025.db2.gz QRGRGPDJCBUADK-NRFANRHFSA-N 0 3 354.494 2.894 50 0 FFAAHN CCOC(=O)N1CCN([C@@H]2CCCN(C/C(C)=C/c3ccco3)C2)CC1 ZINC000023375013 507348851 /nfs/dbraw/zinc/34/88/51/507348851.db2.gz OZZRPBKEXVFHJK-UWXVCKHVSA-N 0 3 361.486 2.921 50 0 FFAAHN Cc1ccc(CCC2CCN(CCN3C(=O)NC(C)(C)C3=O)CC2)cc1 ZINC000024843684 507444552 /nfs/dbraw/zinc/44/45/52/507444552.db2.gz DTRPFHHAMZIDBI-UHFFFAOYSA-N 0 3 357.498 2.970 50 0 FFAAHN CN(Cc1ccccc1)c1nc(-c2ccc(C(N)=O)cc2)nc2c1CCNC2 ZINC000071760297 507714746 /nfs/dbraw/zinc/71/47/46/507714746.db2.gz NOZDNDFCASDXQZ-UHFFFAOYSA-N 0 3 373.460 2.525 50 0 FFAAHN C[C@@H](NCC1(N2CCOCC2)CCCCC1)C(=O)Nc1cccc(F)c1 ZINC000028893223 507749320 /nfs/dbraw/zinc/74/93/20/507749320.db2.gz FDRBNDBZWVNHRS-MRXNPFEDSA-N 0 3 363.477 2.777 50 0 FFAAHN COc1ccccc1[C@H]1CN(c2nccnc2C)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072122615 507752179 /nfs/dbraw/zinc/75/21/79/507752179.db2.gz PBJZQZHVZBIBGN-MISYRCLQSA-N 0 3 350.466 2.860 50 0 FFAAHN Cc1cccc2[nH]c([C@H]3CCCN(Cc4cc5n(n4)CCCNC5)C3)nc21 ZINC000072146637 507757892 /nfs/dbraw/zinc/75/78/92/507757892.db2.gz YXDWARXMDVGMMU-INIZCTEOSA-N 0 3 364.497 2.941 50 0 FFAAHN COc1cccc([C@@H]2CN(c3cc(OC)ncn3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072146841 507758743 /nfs/dbraw/zinc/75/87/43/507758743.db2.gz OPOTZGPSYGCSLN-IOMROCGXSA-N 0 3 366.465 2.560 50 0 FFAAHN CCc1nccn1CCC(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 ZINC000072158719 507764592 /nfs/dbraw/zinc/76/45/92/507764592.db2.gz RXXBRAABMSBVBM-HXUWFJFHSA-N 0 3 366.509 2.537 50 0 FFAAHN O=C1OC2(CN1CCOc1ccccc1)CCN([C@H]1CCSC1)CC2 ZINC000072417887 507786437 /nfs/dbraw/zinc/78/64/37/507786437.db2.gz ISKKADYUJZIVTK-INIZCTEOSA-N 0 3 362.495 2.858 50 0 FFAAHN O=C(CCn1cnnc1)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 ZINC000072431515 507789555 /nfs/dbraw/zinc/78/95/55/507789555.db2.gz RLHQPCWZNFEYOK-OAQYLSRUSA-N 0 3 367.497 2.573 50 0 FFAAHN Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000072436074 507791020 /nfs/dbraw/zinc/79/10/20/507791020.db2.gz ILXIXKBUULCNLA-GOSISDBHSA-N 0 3 369.513 2.886 50 0 FFAAHN O=C(COc1ccccc1O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072473904 507795578 /nfs/dbraw/zinc/79/55/78/507795578.db2.gz DQUCXIZDNNGCMX-UHFFFAOYSA-N 0 3 366.461 2.820 50 0 FFAAHN CCc1ncc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cn1 ZINC000072480319 507797768 /nfs/dbraw/zinc/79/77/68/507797768.db2.gz RBXKLHDYMWLPKD-UHFFFAOYSA-N 0 3 350.466 2.702 50 0 FFAAHN COc1ccc(/C=C/CN2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)cc1 ZINC000091676815 508001615 /nfs/dbraw/zinc/00/16/15/508001615.db2.gz GCVROJHHDYZZPO-ZDUIWUOISA-N 0 3 374.525 2.504 50 0 FFAAHN O=C1CC2(CN1C/C=C/c1ccccc1)CCN(Cc1cnc[nH]1)CC2 ZINC000091794249 508013639 /nfs/dbraw/zinc/01/36/39/508013639.db2.gz VDSJVSHKQMXLAX-QPJJXVBHSA-N 0 3 350.466 2.938 50 0 FFAAHN Cc1ccc2[nH]c(CN3CCCC[C@H]3CN3CCOCC3)cc(=O)c2c1 ZINC000091830054 508017174 /nfs/dbraw/zinc/01/71/74/508017174.db2.gz VIKSNFALMASZFB-SFHVURJKSA-N 0 3 355.482 2.523 50 0 FFAAHN COc1ccc(CN2C[C@H]3CC[C@H](CN3Cc3cnn(C)c3C)C2)cc1 ZINC000092099548 508042972 /nfs/dbraw/zinc/04/29/72/508042972.db2.gz NXKPUBCJEKLXGU-AZUAARDMSA-N 0 3 354.498 2.834 50 0 FFAAHN O=C(NCCN1CCCCCC1)c1ccc2ncnc(N3CCCC3)c2c1 ZINC000075550270 508115937 /nfs/dbraw/zinc/11/59/37/508115937.db2.gz UCBDRVUWFWWLIX-UHFFFAOYSA-N 0 3 367.497 2.836 50 0 FFAAHN OCCOc1ccccc1CN1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 ZINC000095359228 508175247 /nfs/dbraw/zinc/17/52/47/508175247.db2.gz PUZCXQQLUQVPBW-GHTZIAJQSA-N 0 3 367.493 2.549 50 0 FFAAHN COCCCN1CC2(CC1=O)CCN(Cc1ccc3c(c1)C[C@@H](C)O3)CC2 ZINC000095364449 508176711 /nfs/dbraw/zinc/17/67/11/508176711.db2.gz YKWAJPZDTCTWOG-QGZVFWFLSA-N 0 3 372.509 2.861 50 0 FFAAHN CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc3[nH]c(CO)nc3c1)C2 ZINC000095374413 508179715 /nfs/dbraw/zinc/17/97/15/508179715.db2.gz XBDCSCVVZPTUCE-NVXWUHKLSA-N 0 3 368.481 2.558 50 0 FFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)CSc2ccccc2)C1 ZINC000095391137 508183489 /nfs/dbraw/zinc/18/34/89/508183489.db2.gz PAZNNKUHDNATLT-KRWDZBQOSA-N 0 3 372.538 2.943 50 0 FFAAHN CN(C)CCNC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000095460961 508186998 /nfs/dbraw/zinc/18/69/98/508186998.db2.gz POLFXTHJIMBTPQ-VWLOTQADSA-N 0 3 359.495 2.819 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)Cc1csc(-c2cccc(OC)c2)n1 ZINC000095475794 508188140 /nfs/dbraw/zinc/18/81/40/508188140.db2.gz ISZFOYJSGLXODO-INIZCTEOSA-N 0 3 359.495 2.962 50 0 FFAAHN O=C(CCCN1CCN(Cc2ccccc2)C[C@@H](O)C1)c1ccc(F)cc1 ZINC000095501551 508190238 /nfs/dbraw/zinc/19/02/38/508190238.db2.gz DGDMRRPGRVLTIN-NRFANRHFSA-N 0 3 370.468 2.967 50 0 FFAAHN Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)n1 ZINC000095516351 508193379 /nfs/dbraw/zinc/19/33/79/508193379.db2.gz ASGXXPUUTATHNJ-RBUKOAKNSA-N 0 3 352.482 2.887 50 0 FFAAHN C[C@H]1CCCCN1Cc1cccc(NC(=O)NCCN2CCOCC2)c1 ZINC000095531259 508197125 /nfs/dbraw/zinc/19/71/25/508197125.db2.gz JOLZCPSSWRKXIT-KRWDZBQOSA-N 0 3 360.502 2.515 50 0 FFAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cc[nH]n1 ZINC000095531711 508197213 /nfs/dbraw/zinc/19/72/13/508197213.db2.gz GJGFBSKIEDTDKH-GOSISDBHSA-N 0 3 370.497 2.835 50 0 FFAAHN CCc1ccc(Cn2nc(-c3ccc(C)o3)nc2[C@@H]2C[C@@H](O)CN2)cc1 ZINC000096148535 508208124 /nfs/dbraw/zinc/20/81/24/508208124.db2.gz YLRGGDJADFFGII-SJORKVTESA-N 0 3 352.438 2.853 50 0 FFAAHN O=C1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)CN1CCc1c[nH]cn1 ZINC000082116010 508226180 /nfs/dbraw/zinc/22/61/80/508226180.db2.gz LAYVMHJPPFFEMU-NRFANRHFSA-N 0 3 370.472 2.996 50 0 FFAAHN O=C1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)CN1CCc1cnc[nH]1 ZINC000082116010 508226184 /nfs/dbraw/zinc/22/61/84/508226184.db2.gz LAYVMHJPPFFEMU-NRFANRHFSA-N 0 3 370.472 2.996 50 0 FFAAHN CCc1ccc2nc(C)cc(C(=O)NCC[C@@H](C)N3CCN(C)CC3)c2c1 ZINC000077523801 508327836 /nfs/dbraw/zinc/32/78/36/508327836.db2.gz ZAASTMRZZFDFEC-QGZVFWFLSA-N 0 3 368.525 2.861 50 0 FFAAHN Cn1cc([C@H](NC(=O)C2(N3CCCCC3)CCCCC2)C2CC(O)C2)cn1 ZINC000223958171 509350985 /nfs/dbraw/zinc/35/09/85/509350985.db2.gz WHBFENSYPGSYEE-NKELODKYSA-N 0 3 374.529 2.537 50 0 FFAAHN CN(C)C[C@@H](C(=O)NCCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000225471136 509374818 /nfs/dbraw/zinc/37/48/18/509374818.db2.gz UQNSQXKARCEHBF-OAQYLSRUSA-N 0 3 362.477 2.876 50 0 FFAAHN COc1ccc(C(C)C)cc1CN1CCN(C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000230154119 509433907 /nfs/dbraw/zinc/43/39/07/509433907.db2.gz QJQIUVPNKGMNTJ-JOCHJYFZSA-N 0 3 373.541 2.947 50 0 FFAAHN Cc1cc(C)n(CCC(=O)NCCN2CC[C@H](c3ccccc3C)C2)n1 ZINC000252500655 509846473 /nfs/dbraw/zinc/84/64/73/509846473.db2.gz SZWOJRZCYLEPCI-IBGZPJMESA-N 0 3 354.498 2.804 50 0 FFAAHN O=C(CCN1CCC([C@H](O)Cc2ccccc2)CC1)Nc1nccs1 ZINC000244734388 509867219 /nfs/dbraw/zinc/86/72/19/509867219.db2.gz NEPYQMRMROLOCF-QGZVFWFLSA-N 0 3 359.495 2.787 50 0 FFAAHN Cc1cc2ncn(C[C@H](O)CN3CC[C@@H](Oc4cccnc4)C3)c2cc1C ZINC000246770676 510663585 /nfs/dbraw/zinc/66/35/85/510663585.db2.gz QKNIUMNCZJVGQY-IEBWSBKVSA-N 0 3 366.465 2.562 50 0 FFAAHN Cc1ccc2ncc(C(=O)N3C[C@H]4CCCN4Cc4ccccc43)c(=O)n2c1 ZINC000298250725 511224114 /nfs/dbraw/zinc/22/41/14/511224114.db2.gz DNSHDBWPAWKGMC-QGZVFWFLSA-N 0 3 374.444 2.628 50 0 FFAAHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCc1ccn(-c2ccccc2)n1 ZINC000333721570 511334091 /nfs/dbraw/zinc/33/40/91/511334091.db2.gz NZLDXVRRLFATRO-UXHICEINSA-N 0 3 367.497 2.683 50 0 FFAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1c(C)c(-c2ccccc2)nn1C ZINC000299763308 511671589 /nfs/dbraw/zinc/67/15/89/511671589.db2.gz ZTOBZJUUOSDCMQ-IRXDYDNUSA-N 0 3 371.485 2.625 50 0 FFAAHN O=C(c1ccccc1Cl)N1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000299772239 511674675 /nfs/dbraw/zinc/67/46/75/511674675.db2.gz SWFUJQNYZNGMLQ-UHFFFAOYSA-N 0 3 363.889 2.500 50 0 FFAAHN O=C(NCCC1CC[NH+](C2CCCC2)CC1)c1ccccc1-c1nnn[n-]1 ZINC000299793212 511683481 /nfs/dbraw/zinc/68/34/81/511683481.db2.gz HEOJVETWYJJTLL-UHFFFAOYSA-N 0 3 368.485 2.641 50 0 FFAAHN O=C(NCCC1CC[NH+](C2CCCC2)CC1)c1ccccc1-c1nn[n-]n1 ZINC000299793212 511683486 /nfs/dbraw/zinc/68/34/86/511683486.db2.gz HEOJVETWYJJTLL-UHFFFAOYSA-N 0 3 368.485 2.641 50 0 FFAAHN CN(C)Cc1cccc(C(=O)N2CCN(C3Cc4ccccc4C3)CC2)c1 ZINC000426398953 513927440 /nfs/dbraw/zinc/92/74/40/513927440.db2.gz BCCDLMCUUQNABY-UHFFFAOYSA-N 0 3 363.505 2.673 50 0 FFAAHN Cc1nccn1CCN(C)C(=O)NCCN1CC[C@@H](c2ccccc2C)C1 ZINC000426408910 513931401 /nfs/dbraw/zinc/93/14/01/513931401.db2.gz IEOWKAMZXMZQJN-LJQANCHMSA-N 0 3 369.513 2.631 50 0 FFAAHN CN(CCC[NH+](C)C)C(=O)c1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000426517759 513966689 /nfs/dbraw/zinc/96/66/89/513966689.db2.gz CEHBKAKXXNMPSR-UHFFFAOYSA-N 0 3 364.453 2.557 50 0 FFAAHN CN(CCC[NH+](C)C)C(=O)c1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000426517759 513966693 /nfs/dbraw/zinc/96/66/93/513966693.db2.gz CEHBKAKXXNMPSR-UHFFFAOYSA-N 0 3 364.453 2.557 50 0 FFAAHN CCN(CC)Cc1cccc(NC(=O)N(C)CC2(CO)CCOCC2)c1 ZINC000426690735 514016942 /nfs/dbraw/zinc/01/69/42/514016942.db2.gz SGJOTQRVJSBYNE-UHFFFAOYSA-N 0 3 363.502 2.781 50 0 FFAAHN CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCN1CCCC[C@H]1CO ZINC000426693857 514018337 /nfs/dbraw/zinc/01/83/37/514018337.db2.gz UENDCWIHDOQYMI-INIZCTEOSA-N 0 3 373.419 2.694 50 0 FFAAHN CN(C(=O)NCc1cccc(CO)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475113212 514561153 /nfs/dbraw/zinc/56/11/53/514561153.db2.gz REZMSALETMVLTJ-FQEVSTJZSA-N 0 3 353.466 2.595 50 0 FFAAHN C[C@H](CNC(=O)N(CCc1ccccc1)C1CCN(C)CC1)n1ccnc1 ZINC000534587896 517954418 /nfs/dbraw/zinc/95/44/18/517954418.db2.gz RHSJCGKMMGAHQE-GOSISDBHSA-N 0 3 369.513 2.793 50 0 FFAAHN CCCN(Cc1nccn1C)C(=O)NC[C@H](c1cccc(C)c1)N(C)C ZINC000534667792 517992392 /nfs/dbraw/zinc/99/23/92/517992392.db2.gz MBOAFAITXVHMSP-GOSISDBHSA-N 0 3 357.502 2.953 50 0 FFAAHN c1ccc(CN2CCC(N3C[C@H](OCC4CC4)C34CCOCC4)CC2)nc1 ZINC000575546275 518228748 /nfs/dbraw/zinc/22/87/48/518228748.db2.gz SXVDQXVHGYWWTC-NRFANRHFSA-N 0 3 371.525 2.706 50 0 FFAAHN COCCCN1CC2(CCC1=O)CCN(CCOc1ccccc1)CC2 ZINC000091707340 523295438 /nfs/dbraw/zinc/29/54/38/523295438.db2.gz YUYSXMNQHSTGMD-UHFFFAOYSA-N 0 3 360.498 2.807 50 0 FFAAHN Cc1cc(CN2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)ccc1F ZINC000091616728 524688278 /nfs/dbraw/zinc/68/82/78/524688278.db2.gz UWHMBUKAJRPQAG-KRWDZBQOSA-N 0 3 368.460 2.887 50 0 FFAAHN Cc1cnn(CCCN2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)c1 ZINC000091445211 526261498 /nfs/dbraw/zinc/26/14/98/526261498.db2.gz XIFDKEQMBIZCOS-VQTJNVASSA-N 0 3 352.482 2.705 50 0 FFAAHN Cc1ccn2ncc(C(=O)NC3CCN([C@H](C)c4ccccc4)CC3)c2n1 ZINC000116067583 571164256 /nfs/dbraw/zinc/16/42/56/571164256.db2.gz UKDLWXSHFNJBII-MRXNPFEDSA-N 0 3 363.465 2.993 50 0 FFAAHN C[C@H](c1ccccc1)N1CCC(NC(=O)c2ccc3c(c2)nnn3C)CC1 ZINC000116064750 571164282 /nfs/dbraw/zinc/16/42/82/571164282.db2.gz HKYGRFFHVAVBDX-OAHLLOKOSA-N 0 3 363.465 2.924 50 0 FFAAHN COc1ccccc1-c1ccc(C(=O)NCCN2CCCC[C@@H]2CO)cc1 ZINC000670449222 571352080 /nfs/dbraw/zinc/35/20/80/571352080.db2.gz FITRCVWSAMJDJN-LJQANCHMSA-N 0 3 368.477 2.939 50 0 FFAAHN O=C(c1cc2c(s1)CCNC2)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000888101536 734011802 /nfs/dbraw/zinc/01/18/02/734011802.db2.gz HFXXYBHQHIZHII-OAHLLOKOSA-N 0 3 352.463 2.831 50 0 FFAAHN CCN1CCCn2nc([C@H]3CCCN(Cc4ccc(C)cn4)C3)cc2C1=O ZINC000675010806 971485751 /nfs/dbraw/zinc/48/57/51/971485751.db2.gz YAIPBLZINKTJNQ-KRWDZBQOSA-N 0 3 367.497 2.832 50 0 FFAAHN CN(Cc1cnccn1)C1CCN(c2ccc(N3CCCC3=O)cc2)CC1 ZINC000023379633 969280019 /nfs/dbraw/zinc/28/00/19/969280019.db2.gz ANSUXHDMODYDJO-UHFFFAOYSA-N 0 3 365.481 2.704 50 0 FFAAHN COC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000643919647 978203088 /nfs/dbraw/zinc/20/30/88/978203088.db2.gz WMGXAUAHDBNUJK-WWMYMODYSA-N 0 3 374.481 2.965 50 0 FFAAHN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CN4CCN3CCC4)cn2)cc1C ZINC000677876591 988339172 /nfs/dbraw/zinc/33/91/72/988339172.db2.gz TZKPPCJCFMAPJP-IBGZPJMESA-N 0 3 366.465 2.819 50 0 FFAAHN CCc1nccn1CCC(=O)NC[C@H]1CCCN(Cc2ccc(C)o2)C1 ZINC000823557456 999058163 /nfs/dbraw/zinc/05/81/63/999058163.db2.gz QSUNJADNVSIYGM-QGZVFWFLSA-N 0 3 358.486 2.765 50 0 FFAAHN CN(Cc1cc(CN2CCCCC2)cs1)C1CCS(=O)(=O)CC1 ZINC000823667780 999068665 /nfs/dbraw/zinc/06/86/65/999068665.db2.gz OPFVOHZQBSTGFQ-UHFFFAOYSA-N 0 3 356.557 2.743 50 0 FFAAHN CO[C@@H]1CN(C2CCN(C(=O)CCC3CCCC3)CC2)C12CCOCC2 ZINC000581802356 999945637 /nfs/dbraw/zinc/94/56/37/999945637.db2.gz JWQCZHRSDFDXCQ-LJQANCHMSA-N 0 3 364.530 2.828 50 0 FFAAHN Cc1cnc(-c2ccncc2)n1[C@H]1CCN(C(=O)CN2CCCCCC2)C1 ZINC000581808205 999948481 /nfs/dbraw/zinc/94/84/81/999948481.db2.gz YROZTUGXVVKRRQ-IBGZPJMESA-N 0 3 367.497 2.903 50 0 FFAAHN CCCN(CCN1CCN(CC)CC1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000585085115 1008291893 /nfs/dbraw/zinc/29/18/93/1008291893.db2.gz HDGILRWEQYHSQF-UXHICEINSA-N 0 3 361.505 2.805 50 0 FFAAHN COc1ccc(C2(NCc3c[nH]c4nccnc34)CCOCC2)cc1F ZINC000585085038 1008296258 /nfs/dbraw/zinc/29/62/58/1008296258.db2.gz NWTVVNOPYIXTHI-UHFFFAOYSA-N 0 3 356.401 2.853 50 0 FFAAHN Cc1ccccc1[C@@H](CNC(=O)c1cc(CC(C)C)nc(N)n1)N(C)C ZINC000952866515 1011010902 /nfs/dbraw/zinc/01/09/02/1011010902.db2.gz ALCZIDUSEACOCM-GOSISDBHSA-N 0 3 355.486 2.598 50 0 FFAAHN CNC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccco3)C2)c(C)c1 ZINC000952983540 1011037488 /nfs/dbraw/zinc/03/74/88/1011037488.db2.gz GVAGRAPEYPKXGP-MRXNPFEDSA-N 0 3 355.438 2.798 50 0 FFAAHN CC[C@@H](C(=O)N(CCc1ccccc1)C1CCN(C)CC1)n1cccn1 ZINC000072470798 1019903179 /nfs/dbraw/zinc/90/31/79/1019903179.db2.gz CPXVNWKXPUMIMB-FQEVSTJZSA-N 0 3 354.498 3.000 50 0 FFAAHN OC1CCN(c2cc(N[C@H]3CCCN(Cc4cccs4)C3)ncn2)CC1 ZINC001529100303 1062161677 /nfs/dbraw/zinc/16/16/77/1062161677.db2.gz QEUHCYNFISOEMA-HNNXBMFYSA-N 0 3 373.526 2.576 50 0 FFAAHN CCCCOC(=O)c1ccc(NC(=O)CN(C)C2CCN(C)CC2)cc1 ZINC000003414657 204099617 /nfs/dbraw/zinc/09/96/17/204099617.db2.gz DLUKLHVWAMPDKU-UHFFFAOYSA-N 0 3 361.486 2.608 50 0 FFAAHN CCCCCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CC)cc1 ZINC000005060785 204188964 /nfs/dbraw/zinc/18/89/64/204188964.db2.gz CFPPNQFXZOSOJE-QGZVFWFLSA-N 0 3 361.486 2.795 50 0 FFAAHN CN(C(=O)COc1ccc(C(=O)c2ccccc2)cc1)C1CCN(C)CC1 ZINC000006226989 204242560 /nfs/dbraw/zinc/24/25/60/204242560.db2.gz RFBNZDSWZGZYIE-UHFFFAOYSA-N 0 3 366.461 2.849 50 0 FFAAHN CC[C@H](C)c1ccc([C@H](NCCS(=O)(=O)CCC(N)=O)C(C)C)cc1 ZINC000009478915 204369357 /nfs/dbraw/zinc/36/93/57/204369357.db2.gz AMFZUOBEUNSXHP-HNAYVOBHSA-N 0 3 368.543 2.777 50 0 FFAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)CCc1cn[nH]c1 ZINC000012441281 204464240 /nfs/dbraw/zinc/46/42/40/204464240.db2.gz BPTQJYJDMPTCCK-UHFFFAOYSA-N 0 3 372.488 2.895 50 0 FFAAHN COCCN(Cc1cccc(OC)c1)C[C@H](O)COCc1ccccc1 ZINC000036100129 205004505 /nfs/dbraw/zinc/00/45/05/205004505.db2.gz FZWRMCZCGXLAHL-FQEVSTJZSA-N 0 3 359.466 2.721 50 0 FFAAHN CCOc1cc(CN2CCN(CC(C)C)[C@H](CCO)C2)ccc1OC ZINC000039442027 205046250 /nfs/dbraw/zinc/04/62/50/205046250.db2.gz AYORRDXEBDOQDO-GOSISDBHSA-N 0 3 350.503 2.619 50 0 FFAAHN Cc1cc(=O)c(C(=O)NCCN(C(C)C)C(C)C)nn1-c1ccccc1F ZINC000040012776 205049173 /nfs/dbraw/zinc/04/91/73/205049173.db2.gz KJDUNYXUJBSEFO-UHFFFAOYSA-N 0 3 374.460 2.529 50 0 FFAAHN COc1cn(-c2ccccc2)nc1C(=O)NCCN1C[C@H](C)C[C@H](C)C1 ZINC000040107590 205056331 /nfs/dbraw/zinc/05/63/31/205056331.db2.gz KICSYGFYMHMXDS-IYBDPMFKSA-N 0 3 356.470 2.589 50 0 FFAAHN Cc1ccc(-c2nnc(CCC(=O)NCCN3CCCC[C@H]3C)o2)cc1 ZINC000040107551 205056373 /nfs/dbraw/zinc/05/63/73/205056373.db2.gz GBJYZWJPMYGTND-MRXNPFEDSA-N 0 3 356.470 2.968 50 0 FFAAHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c2cccnc12 ZINC000041644354 205092104 /nfs/dbraw/zinc/09/21/04/205092104.db2.gz WNIGDLLABLACMP-JKSUJKDBSA-N 0 3 368.481 2.861 50 0 FFAAHN CC(C)Cc1cc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)n[nH]1 ZINC000043022847 205099357 /nfs/dbraw/zinc/09/93/57/205099357.db2.gz SXVDIZKYNDZGTD-OAQYLSRUSA-N 0 3 356.514 2.677 50 0 FFAAHN Cc1cccc(C(=O)N2CCC[C@H](Cn3cc(C(C)(C)N)nn3)C2)c1C ZINC000048441266 205164742 /nfs/dbraw/zinc/16/47/42/205164742.db2.gz JDTLLANRRBJKAN-INIZCTEOSA-N 0 3 355.486 2.641 50 0 FFAAHN COCCN(C)CCCNC(=O)c1ccc(Br)cc1Cl ZINC000049093881 205168832 /nfs/dbraw/zinc/16/88/32/205168832.db2.gz YCRXWEDIZRFHHX-UHFFFAOYSA-N 0 3 363.683 2.801 50 0 FFAAHN COc1cc2nc(NCCN3CCC[C@@H](CO)C3)cc(C)c2cc1OC ZINC000055284178 205212506 /nfs/dbraw/zinc/21/25/06/205212506.db2.gz XJQYETOGFCNBNX-OAHLLOKOSA-N 0 3 359.470 2.677 50 0 FFAAHN Cc1ccccc1CN1CCC(NS(=O)(=O)N2CCC(C)CC2)CC1 ZINC000056093733 205228436 /nfs/dbraw/zinc/22/84/36/205228436.db2.gz BFHICRUCVPGBJG-UHFFFAOYSA-N 0 3 365.543 2.526 50 0 FFAAHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000056787752 205232136 /nfs/dbraw/zinc/23/21/36/205232136.db2.gz BJBXIHWOBUZJQH-QRVBRYPASA-N 0 3 358.530 2.933 50 0 FFAAHN COc1cc([C@@H](C)NC(=O)C(C)S(=O)(=O)C(C)C)ccc1OC(C)C ZINC000058123667 205251475 /nfs/dbraw/zinc/25/14/75/205251475.db2.gz HPPRQYSRSBYYHS-KGLIPLIRSA-N 0 3 371.499 2.871 50 0 FFAAHN O=C([C@H]1CC=CCC1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058174360 205254139 /nfs/dbraw/zinc/25/41/39/205254139.db2.gz DFQDAYNTMCOZQN-PMACEKPBSA-N 0 3 368.525 2.799 50 0 FFAAHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)/C=C/c1ccccc1F ZINC000058342259 205271292 /nfs/dbraw/zinc/27/12/92/205271292.db2.gz VHADWNYKUSKEQS-ZHACJKMWSA-N 0 3 350.434 2.571 50 0 FFAAHN CC(C)(C)OC(=O)NCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000062227787 205291711 /nfs/dbraw/zinc/29/17/11/205291711.db2.gz IHCYMNMRDZIJFI-KRWDZBQOSA-N 0 3 361.486 2.682 50 0 FFAAHN Cc1cccc2c(C(=O)N(C)[C@H]3CCN(C)C3)cc(-c3cnn(C)c3)nc12 ZINC000063832816 205294249 /nfs/dbraw/zinc/29/42/49/205294249.db2.gz SUCAIJLBKSIAOD-INIZCTEOSA-N 0 3 363.465 2.720 50 0 FFAAHN C[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)NCCN(C)C ZINC000065031562 205315234 /nfs/dbraw/zinc/31/52/34/205315234.db2.gz SPQHYOOMXJABJX-HNNXBMFYSA-N 0 3 364.449 2.742 50 0 FFAAHN CCc1ccc(OCC(=O)NC2CCN(C)CC2)c(Br)c1 ZINC000065362060 205337795 /nfs/dbraw/zinc/33/77/95/205337795.db2.gz ATWZAFOMOUCLIF-UHFFFAOYSA-N 0 3 355.276 2.601 50 0 FFAAHN COC(=O)[C@@H]1C[C@@H](N(C)C)CN1C/C(C)=C/c1cc(Cl)ccc1O ZINC000065428037 205349482 /nfs/dbraw/zinc/34/94/82/205349482.db2.gz VNZHWUUWVFQFMJ-KQWWGNALSA-N 0 3 352.862 2.626 50 0 FFAAHN Cc1ccc2[nH]c(CNc3nc(-c4cccnc4)nc4c3CCNC4)nc2c1 ZINC000067757527 205388847 /nfs/dbraw/zinc/38/88/47/205388847.db2.gz OVRJPZDZTRNUMG-UHFFFAOYSA-N 0 3 371.448 2.981 50 0 FFAAHN Cc1ccc2nc(CNc3nc(-c4cccnc4)nc4c3CCNC4)[nH]c2c1 ZINC000067757527 205388849 /nfs/dbraw/zinc/38/88/49/205388849.db2.gz OVRJPZDZTRNUMG-UHFFFAOYSA-N 0 3 371.448 2.981 50 0 FFAAHN CCn1c(=O)[nH]nc1C1CCN(Cc2c[nH]nc2C2CCCCC2)CC1 ZINC000067789521 205392753 /nfs/dbraw/zinc/39/27/53/205392753.db2.gz NCWVCDFZHFQONC-UHFFFAOYSA-N 0 3 358.490 2.742 50 0 FFAAHN CCOc1ccc(CC(=O)N2CCC([C@H](C)N3CCOCC3)CC2)cc1 ZINC000072426321 205541227 /nfs/dbraw/zinc/54/12/27/205541227.db2.gz BHSURDMIXCQCHO-KRWDZBQOSA-N 0 3 360.498 2.587 50 0 FFAAHN CN(C)C[C@H]1CN(C(=O)Nc2cccc(C3SCCS3)c2)CCO1 ZINC000095398682 205752878 /nfs/dbraw/zinc/75/28/78/205752878.db2.gz WVEKPPRAAANZFC-HNNXBMFYSA-N 0 3 367.540 2.960 50 0 FFAAHN Cc1ccc(C(=O)NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)s1 ZINC000051098588 206125232 /nfs/dbraw/zinc/12/52/32/206125232.db2.gz DZPLSUSJYYLSRL-UHFFFAOYSA-N 0 3 357.479 2.550 50 0 FFAAHN CC1CCN(C[C@H](O)COc2ccc3c4c(c(=O)oc3c2)CCC4)CC1 ZINC000001811031 206151629 /nfs/dbraw/zinc/15/16/29/206151629.db2.gz CFFXYNRARULNHD-HNNXBMFYSA-N 0 3 357.450 2.753 50 0 FFAAHN Cn1nc2c(cc1=O)CN(CCCc1ccc(C(F)(F)F)cc1)CC2 ZINC000170652163 206278734 /nfs/dbraw/zinc/27/87/34/206278734.db2.gz FCHQAVDHVGOPSF-UHFFFAOYSA-N 0 3 351.372 2.790 50 0 FFAAHN COc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN(C(C)C)CC1 ZINC000012441450 206291377 /nfs/dbraw/zinc/29/13/77/206291377.db2.gz CCCGWVUJEUGJPZ-UHFFFAOYSA-N 0 3 354.516 2.711 50 0 FFAAHN C[N@H+](Cc1cccc(Cn2cccn2)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000215410726 206346358 /nfs/dbraw/zinc/34/63/58/206346358.db2.gz PCTDBRBFPLIJCS-UHFFFAOYSA-N 0 3 359.437 2.744 50 0 FFAAHN C[N@@H+](Cc1cccc(Cn2cccn2)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000215410726 206346362 /nfs/dbraw/zinc/34/63/62/206346362.db2.gz PCTDBRBFPLIJCS-UHFFFAOYSA-N 0 3 359.437 2.744 50 0 FFAAHN Cc1cc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)nc(C)n1 ZINC000215765650 206350176 /nfs/dbraw/zinc/35/01/76/206350176.db2.gz JGBWKRUSYNNLDV-UHFFFAOYSA-N 0 3 354.498 2.820 50 0 FFAAHN Clc1ccccc1-n1cc(CN2CCC(N3CCOCC3)CC2)cn1 ZINC000215820970 206352723 /nfs/dbraw/zinc/35/27/23/206352723.db2.gz DKNOETDRXNYWHH-UHFFFAOYSA-N 0 3 360.889 2.822 50 0 FFAAHN Cn1ncc2c1nc(-c1ccncc1)nc2N1CCN[C@@H](c2ccccc2)C1 ZINC000072476901 136149298 /nfs/dbraw/zinc/14/92/98/136149298.db2.gz IUABAPJJQSMFBC-GOSISDBHSA-N 0 3 371.448 2.576 50 0 FFAAHN CC(C)[C@H](CNC(=O)c1cnn2cccnc12)N1CCc2ccccc2C1 ZINC000032800696 506297323 /nfs/dbraw/zinc/29/73/23/506297323.db2.gz BQUWWJXASVUWAO-IBGZPJMESA-N 0 3 363.465 2.542 50 0 FFAAHN CC(C)c1ccc(-c2nc(NCCN(C)C)nc3nn(C)c(N)c32)cc1 ZINC000037376166 506424498 /nfs/dbraw/zinc/42/44/98/506424498.db2.gz LPEBSTMDGFQQEG-UHFFFAOYSA-N 0 3 353.474 2.709 50 0 FFAAHN CCOC(=O)[C@H]1CCCN(Cc2cc3ccc(Cl)cc3n(C)c2=O)C1 ZINC000012039152 506809653 /nfs/dbraw/zinc/80/96/53/506809653.db2.gz OPAJFXAHMRMLPY-AWEZNQCLSA-N 0 3 362.857 2.967 50 0 FFAAHN Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccnn4C)C3)C2)c1 ZINC000012429504 506861636 /nfs/dbraw/zinc/86/16/36/506861636.db2.gz GNONZIWZKJISQA-OAQYLSRUSA-N 0 3 352.482 2.857 50 0 FFAAHN Cc1ccccc1[C@H](OC[C@H](O)CN1CCC[C@@H](O)C1)c1ccccc1 ZINC000012533290 506872662 /nfs/dbraw/zinc/87/26/62/506872662.db2.gz LPAQJNMFSMKAPT-KCZVDYSFSA-N 0 3 355.478 2.919 50 0 FFAAHN O=C1N(CC2CC2)CCC[C@]1(O)CNCc1cccc(C(F)(F)F)c1 ZINC000012715716 506891468 /nfs/dbraw/zinc/89/14/68/506891468.db2.gz AANYFUDUGRVKOA-KRWDZBQOSA-N 0 3 356.388 2.559 50 0 FFAAHN CN(CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(Cl)s1 ZINC000012971780 506919035 /nfs/dbraw/zinc/91/90/35/506919035.db2.gz YGCXOECEJJIMBX-UHFFFAOYSA-N 0 3 351.859 2.961 50 0 FFAAHN CCN(CC)[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)c1ccccc1 ZINC000014076145 506964197 /nfs/dbraw/zinc/96/41/97/506964197.db2.gz IOARRRPGDATVFA-SFHVURJKSA-N 0 3 364.449 2.736 50 0 FFAAHN Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@@H](N2CCCCC2)CC3)o1 ZINC000014748468 506999176 /nfs/dbraw/zinc/99/91/76/506999176.db2.gz DFFFEYBVOMBWHE-HNNXBMFYSA-N 0 3 356.470 2.595 50 0 FFAAHN CCOC(=O)C1(CCOC)CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000014978243 507010124 /nfs/dbraw/zinc/01/01/24/507010124.db2.gz QTACBHLFIQYFMH-UHFFFAOYSA-N 0 3 362.470 2.827 50 0 FFAAHN CCn1cc(C(=O)N2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)cn1 ZINC000015076317 507018661 /nfs/dbraw/zinc/01/86/61/507018661.db2.gz AQQXRSAWKMBNRE-IBGZPJMESA-N 0 3 367.497 2.672 50 0 FFAAHN C[C@H]1CCCCN1CCNC(=O)c1nn(C)c2c1COc1ccccc1-2 ZINC000015674354 507054555 /nfs/dbraw/zinc/05/45/55/507054555.db2.gz UUZXICBBNGHDRG-AWEZNQCLSA-N 0 3 354.454 2.584 50 0 FFAAHN CCN1CCN(C[C@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000022860262 507315783 /nfs/dbraw/zinc/31/57/83/507315783.db2.gz QGZBJBRIMBDZQA-NRFANRHFSA-N 0 3 354.494 2.791 50 0 FFAAHN O=S(=O)([N-]CC1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1F ZINC000023127609 507331078 /nfs/dbraw/zinc/33/10/78/507331078.db2.gz LTPBZCAUMQSNHB-UHFFFAOYSA-N 0 3 358.454 2.898 50 0 FFAAHN Cc1cc(CN2CCC(n3cc(CN4CCCC4(C)C)nn3)CC2)[nH]n1 ZINC000023214691 507338829 /nfs/dbraw/zinc/33/88/29/507338829.db2.gz UXDAFMNHJGGSPH-UHFFFAOYSA-N 0 3 357.506 2.521 50 0 FFAAHN Cc1cc(CN2CCC(n3cc(CN4CCCC4(C)C)nn3)CC2)n[nH]1 ZINC000023214691 507338831 /nfs/dbraw/zinc/33/88/31/507338831.db2.gz UXDAFMNHJGGSPH-UHFFFAOYSA-N 0 3 357.506 2.521 50 0 FFAAHN CCCCc1cc(=O)[n-]c(-c2cccc(CN3CC[NH2+]CC3(C)C)c2)n1 ZINC000023430915 507354514 /nfs/dbraw/zinc/35/45/14/507354514.db2.gz YGNHNRZXMMJVNR-UHFFFAOYSA-N 0 3 354.498 2.963 50 0 FFAAHN CCN1CCN(c2ccc(NC(=O)Cc3c(C)noc3C)c(C)c2)CC1 ZINC000025187418 507474370 /nfs/dbraw/zinc/47/43/70/507474370.db2.gz LQQJIXIEIBZQPW-UHFFFAOYSA-N 0 3 356.470 2.923 50 0 FFAAHN COCC1(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)CCC1 ZINC000071639527 507707557 /nfs/dbraw/zinc/70/75/57/507707557.db2.gz PDDXUPDHVJZRCO-VAMGGRTRSA-N 0 3 354.494 2.892 50 0 FFAAHN Cn1cc(CN2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000071753414 507712998 /nfs/dbraw/zinc/71/29/98/507712998.db2.gz PQMVXCQBTVAUBE-NSISKUIASA-N 0 3 358.436 2.761 50 0 FFAAHN CC(=O)Nc1nc(C(=O)N2CCCN(CC3CCCCC3)CC2)cs1 ZINC000071820062 507719108 /nfs/dbraw/zinc/71/91/08/507719108.db2.gz GZUFCAMURQHWHV-UHFFFAOYSA-N 0 3 364.515 2.830 50 0 FFAAHN Cn1cc(CN2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072126435 507751179 /nfs/dbraw/zinc/75/11/79/507751179.db2.gz PQMVXCQBTVAUBE-PWIZWCRZSA-N 0 3 358.436 2.761 50 0 FFAAHN c1ccc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)nc1 ZINC000072147046 507757597 /nfs/dbraw/zinc/75/75/97/507757597.db2.gz FJAWWNZABWQJHR-VLCRHTCISA-N 0 3 363.461 2.873 50 0 FFAAHN COc1ccccc1[C@@H]1CN(c2nc(CO)cs2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072149681 507759400 /nfs/dbraw/zinc/75/94/00/507759400.db2.gz SOYFQPCQRWMFBS-QXAKKESOSA-N 0 3 371.506 2.711 50 0 FFAAHN CC1=C(CCN2CCN[C@@H](C(=O)NCc3cccnc3)C2)C(C)(C)CCC1 ZINC000072151174 507760081 /nfs/dbraw/zinc/76/00/81/507760081.db2.gz QMKTYLFQZRQSAF-HXUWFJFHSA-N 0 3 370.541 2.888 50 0 FFAAHN CCn1cc(CN2C[C@@H](c3cccc(OC)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072163593 507767047 /nfs/dbraw/zinc/76/70/47/507767047.db2.gz IJODJWFXCBGENI-BHDDXSALSA-N 0 3 366.509 2.974 50 0 FFAAHN c1ccc([C@@H]2CN(c3nnnn3-c3ccccc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072169938 507769337 /nfs/dbraw/zinc/76/93/37/507769337.db2.gz ITVYGIYFHGBZAR-PWRODBHTSA-N 0 3 372.476 2.729 50 0 FFAAHN O=C(Nc1cccc(C(=O)N2CC[C@H](N3CCCC3)C2)c1)c1ccco1 ZINC000072288400 507772641 /nfs/dbraw/zinc/77/26/41/507772641.db2.gz PWXSSKVNIOBQSX-KRWDZBQOSA-N 0 3 353.422 2.842 50 0 FFAAHN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N(C)[C@@H]3CCCN(C)C3)C2)c1 ZINC000072295490 507772675 /nfs/dbraw/zinc/77/26/75/507772675.db2.gz AAHKRSUTXWMMQJ-UYAOXDASSA-N 0 3 371.525 2.708 50 0 FFAAHN O=C(c1n[nH]c2c1CCC2)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072422087 507787523 /nfs/dbraw/zinc/78/75/23/507787523.db2.gz UKKKSEHDRVXHOW-UHFFFAOYSA-N 0 3 350.466 2.561 50 0 FFAAHN Cc1nn(C)c2nc(C)nc(N[C@@H]3CCCN(Cc4cccc(O)c4)C3)c12 ZINC000072430983 507789644 /nfs/dbraw/zinc/78/96/44/507789644.db2.gz QOZQVPDJRBNJKC-MRXNPFEDSA-N 0 3 366.469 2.762 50 0 FFAAHN CNc1nc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cs1 ZINC000072436713 507791447 /nfs/dbraw/zinc/79/14/47/507791447.db2.gz PIPHUEYTJAOBAZ-UHFFFAOYSA-N 0 3 360.527 2.911 50 0 FFAAHN COc1ncccc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072434574 507791633 /nfs/dbraw/zinc/79/16/33/507791633.db2.gz UBMCYGMNRGCBPQ-UHFFFAOYSA-N 0 3 351.450 2.753 50 0 FFAAHN CN1CCN(CCCNC(=O)Cc2cccc(F)c2)[C@@H](c2ccccc2)C1 ZINC000029999731 507799598 /nfs/dbraw/zinc/79/95/98/507799598.db2.gz GIGWITJVNPHSOH-OAQYLSRUSA-N 0 3 369.484 2.863 50 0 FFAAHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)NC1CCC(O)CC1 ZINC000079112099 507933564 /nfs/dbraw/zinc/93/35/64/507933564.db2.gz XEPRQHMGOOKQTI-WQUXRXDGSA-N 0 3 359.514 2.842 50 0 FFAAHN O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCCO[C@H](CN2CCCCC2)C1 ZINC000091256012 507976564 /nfs/dbraw/zinc/97/65/64/507976564.db2.gz JODAKXMCFCZYNI-LJQANCHMSA-N 0 3 368.481 2.794 50 0 FFAAHN CN1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)Nc2ccccc2)CC3)C1 ZINC000091473882 507988242 /nfs/dbraw/zinc/98/82/42/507988242.db2.gz PMYOCCGEZYPZEA-SFHVURJKSA-N 0 3 370.497 2.627 50 0 FFAAHN Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)n(C)n1 ZINC000091563117 507993063 /nfs/dbraw/zinc/99/30/63/507993063.db2.gz WNVIZFFCROJWLG-VQTJNVASSA-N 0 3 366.509 2.898 50 0 FFAAHN c1cncc(CN2C[C@H]3CC[C@H](CN3Cc3ccc4c(c3)OCO4)C2)c1 ZINC000091625398 507997197 /nfs/dbraw/zinc/99/71/97/507997197.db2.gz TXHAYCATESSSAB-RBUKOAKNSA-N 0 3 351.450 2.907 50 0 FFAAHN COCC(=O)NCc1cc2n(n1)CCCN(CC[C@@H](C)c1ccccc1)C2 ZINC000091756312 508008998 /nfs/dbraw/zinc/00/89/98/508008998.db2.gz DXYVGTLNVNLFBP-QGZVFWFLSA-N 0 3 370.497 2.545 50 0 FFAAHN CCOc1cc2c(cc1/C=C/C(=O)N1CCC[C@@H]1CN(C)C)O[C@H](C)C2 ZINC000075105548 508083423 /nfs/dbraw/zinc/08/34/23/508083423.db2.gz HNSOQMFSUGUPHJ-NCQICXCDSA-N 0 3 358.482 2.975 50 0 FFAAHN CCOc1cc2c(cc1/C=C/C(=O)N1CCC[C@@H]1CN(C)C)O[C@@H](C)C2 ZINC000075105551 508083514 /nfs/dbraw/zinc/08/35/14/508083514.db2.gz HNSOQMFSUGUPHJ-MOXZYMDWSA-N 0 3 358.482 2.975 50 0 FFAAHN COc1ccc(C(C)C)cc1CN1CCN(C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000095361733 508175971 /nfs/dbraw/zinc/17/59/71/508175971.db2.gz QJQIUVPNKGMNTJ-QFIPXVFZSA-N 0 3 373.541 2.947 50 0 FFAAHN Cc1cccc(C(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)c1[O-] ZINC000095371044 508178561 /nfs/dbraw/zinc/17/85/61/508178561.db2.gz QQLFBQVCCAZMRF-KRWDZBQOSA-N 0 3 370.497 2.869 50 0 FFAAHN COC(=O)C1CCN(CCCN(Cc2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000095448103 508185909 /nfs/dbraw/zinc/18/59/09/508185909.db2.gz KUKYCKUFPTWXHB-NRFANRHFSA-N 0 3 374.525 2.943 50 0 FFAAHN Cc1cccc(NC(=O)C(=O)Nc2cnn(CCN3CCCCC3)c2)c1C ZINC000095461259 508187241 /nfs/dbraw/zinc/18/72/41/508187241.db2.gz VANYIBNNCMTDJW-UHFFFAOYSA-N 0 3 369.469 2.563 50 0 FFAAHN O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(CCc2ccccn2)CC1 ZINC000095479989 508188849 /nfs/dbraw/zinc/18/88/49/508188849.db2.gz YXSYBAGWSJLTKL-UHFFFAOYSA-N 0 3 367.478 2.534 50 0 FFAAHN COc1ccc(/C=C/CN2CCN(Cc3ccccc3)C[C@H](O)C2)cc1 ZINC000095504962 508191743 /nfs/dbraw/zinc/19/17/43/508191743.db2.gz REQCMMORJPJMFO-WKOQKXSESA-N 0 3 352.478 2.887 50 0 FFAAHN O=C(Nc1ccccc1-n1cccn1)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000095530822 508196771 /nfs/dbraw/zinc/19/67/71/508196771.db2.gz JZVPDEPVETULCG-QGZVFWFLSA-N 0 3 369.469 2.637 50 0 FFAAHN CC[NH+]1CCC(CCNc2nc3c(c(=O)[n-]2)Cc2ccccc2OC3)CC1 ZINC000095530564 508196857 /nfs/dbraw/zinc/19/68/57/508196857.db2.gz KCLWWQUNNXMHEZ-UHFFFAOYSA-N 0 3 368.481 2.787 50 0 FFAAHN CCCOc1ccc(NC(=O)N2C[C@H](N(C)C)C[C@H]2CO)cc1Cl ZINC000095531793 508197074 /nfs/dbraw/zinc/19/70/74/508197074.db2.gz UPDBQJXQARXPHJ-KGLIPLIRSA-N 0 3 355.866 2.658 50 0 FFAAHN CN(C)c1cccc(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)c1 ZINC000096007008 508202567 /nfs/dbraw/zinc/20/25/67/508202567.db2.gz YYQCLOXYHXEKJD-NRFANRHFSA-N 0 3 367.493 2.639 50 0 FFAAHN C[C@H](CCn1cccn1)NC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000096136589 508207673 /nfs/dbraw/zinc/20/76/73/508207673.db2.gz GRJGZWINPGQCJY-MRXNPFEDSA-N 0 3 371.485 2.956 50 0 FFAAHN CCCN1CCC(NC(=O)c2nn(-c3cccc(Cl)c3)nc2C)CC1 ZINC000096972154 508216682 /nfs/dbraw/zinc/21/66/82/508216682.db2.gz TZJAOXQPWIDMLB-UHFFFAOYSA-N 0 3 361.877 2.833 50 0 FFAAHN CCO[C@H]1C[C@@H](NCCNS(=O)(=O)c2ccccc2)C1(CC)CC ZINC000097034469 508217668 /nfs/dbraw/zinc/21/76/68/508217668.db2.gz BENPRZBSBYSQMT-SJORKVTESA-N 0 3 354.516 2.538 50 0 FFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cn2nc(Cl)ccc2n1 ZINC000097112465 508219560 /nfs/dbraw/zinc/21/95/60/508219560.db2.gz LPAKOHZFGHYORQ-UHFFFAOYSA-N 0 3 369.856 2.777 50 0 FFAAHN FC(F)(F)c1ccc(CN2CCCO[C@H](CN3CCOCC3)C2)cc1 ZINC000097759229 508229627 /nfs/dbraw/zinc/22/96/27/508229627.db2.gz RBFAXSHOCFDIJG-QGZVFWFLSA-N 0 3 358.404 2.629 50 0 FFAAHN COc1ccccc1/C=C\C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000098056591 508233034 /nfs/dbraw/zinc/23/30/34/508233034.db2.gz FMEFQUYSAHBSAF-VJIACCKLSA-N 0 3 358.482 2.812 50 0 FFAAHN Cc1nn(C)c(C)c1NC(=O)c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H](O)C3)cc1 ZINC000102819440 508286626 /nfs/dbraw/zinc/28/66/26/508286626.db2.gz PMFRRTLZQJQJLB-BWTSREIZSA-N 0 3 368.481 2.777 50 0 FFAAHN CN1CCN(C[C@@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000077450111 508317396 /nfs/dbraw/zinc/31/73/96/508317396.db2.gz WPSAKPNLFTWYEK-HNNXBMFYSA-N 0 3 369.431 2.805 50 0 FFAAHN COc1ccccc1CN1CCC(c2nnc(CN3CCCC3)n2C)CC1 ZINC000077471536 508320781 /nfs/dbraw/zinc/32/07/81/508320781.db2.gz OPYKNPUEXFOKHZ-UHFFFAOYSA-N 0 3 369.513 2.799 50 0 FFAAHN CCN1CC2(CCN(C(=O)c3ccc(CN4CCCC4)cc3)CC2)OC1=O ZINC000077525043 508328205 /nfs/dbraw/zinc/32/82/05/508328205.db2.gz SADMSYSKKLPKQD-UHFFFAOYSA-N 0 3 371.481 2.729 50 0 FFAAHN O=C(c1cccc(-n2cccn2)c1)N1CCC(N2CCSCC2)CC1 ZINC000077537064 508329870 /nfs/dbraw/zinc/32/98/70/508329870.db2.gz ASQHINXYBDFEON-UHFFFAOYSA-N 0 3 356.495 2.526 50 0 FFAAHN c1ccc(COc2ccccc2CNC[C@H]2CN(C3CC3)CCO2)nc1 ZINC000106379967 508399950 /nfs/dbraw/zinc/39/99/50/508399950.db2.gz TZXOURJULSHESB-FQEVSTJZSA-N 0 3 353.466 2.613 50 0 FFAAHN CCOc1ccc(-c2nc(CN3CC[C@@H](CN4CCOCC4)C3)co2)cc1 ZINC000153473795 508586736 /nfs/dbraw/zinc/58/67/36/508586736.db2.gz MBXRIALILMLEJX-KRWDZBQOSA-N 0 3 371.481 2.894 50 0 FFAAHN Clc1ccccc1N1C=NN2N=C(N3CCCC3)NC(N3CCCC3)=C12 ZINC000136998411 508730692 /nfs/dbraw/zinc/73/06/92/508730692.db2.gz NTKQIYPQUKEIKC-UHFFFAOYSA-N 0 3 371.876 2.598 50 0 FFAAHN O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1C[C@H](F)CN1 ZINC000188767182 509253051 /nfs/dbraw/zinc/25/30/51/509253051.db2.gz KQCBWGGXCNVTDI-BLLLJJGKSA-N 0 3 374.287 2.774 50 0 FFAAHN CC[C@@H](OC1CCCC1)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000222256422 509312867 /nfs/dbraw/zinc/31/28/67/509312867.db2.gz KNIDOBPEFVGQJK-UYAOXDASSA-N 0 3 360.498 2.607 50 0 FFAAHN Cc1nccn1CC1CCN(C(=O)CN2CC[C@@H](c3ccccc3)C2)CC1 ZINC000222957507 509327663 /nfs/dbraw/zinc/32/76/63/509327663.db2.gz WDMCOFGGUIQTRO-OAQYLSRUSA-N 0 3 366.509 2.920 50 0 FFAAHN C[C@H](O)c1cc2n(n1)CCN(Cc1cc(CN3CCCCC3)cs1)C2 ZINC000223865391 509349077 /nfs/dbraw/zinc/34/90/77/509349077.db2.gz MTKDBIOGNNSURP-HNNXBMFYSA-N 0 3 360.527 3.000 50 0 FFAAHN CCn1ccc2cc(CN3CCN(C)[C@]4(C3)CCC(=O)N(C)CC4)ccc21 ZINC000230167788 509433930 /nfs/dbraw/zinc/43/39/30/509433930.db2.gz GQDQZHOHLHDVLS-JOCHJYFZSA-N 0 3 368.525 2.790 50 0 FFAAHN C[C@H]1C[C@@H](c2nc([C@H]3COCCN3C(=O)OC(C)(C)C)no2)CCN1C ZINC000239667416 509839733 /nfs/dbraw/zinc/83/97/33/509839733.db2.gz BPWGLWVWJSJTQZ-MELADBBJSA-N 0 3 366.462 2.576 50 0 FFAAHN CCN(Cc1ccc2[nH]ccc2c1)C(=O)NC1CCN(CCOC)CC1 ZINC000242140810 509844435 /nfs/dbraw/zinc/84/44/35/509844435.db2.gz WPKOMSNCYNOADQ-UHFFFAOYSA-N 0 3 358.486 2.810 50 0 FFAAHN Cc1ccc(C2(O)CCN(Cc3cc4ccccc4n(C)c3=O)CC2)nc1 ZINC000244633369 509860799 /nfs/dbraw/zinc/86/07/99/509860799.db2.gz GBSVVFLUMXWAJV-UHFFFAOYSA-N 0 3 363.461 2.726 50 0 FFAAHN O=C(CCN1CCC([C@H](O)c2cccs2)CC1)Nc1nccs1 ZINC000244633242 509861875 /nfs/dbraw/zinc/86/18/75/509861875.db2.gz FZLYDSORMYILSE-HNNXBMFYSA-N 0 3 351.497 2.979 50 0 FFAAHN Cc1nccn1CC1CCN(CCC(=O)Nc2nnc(C3CC3)s2)CC1 ZINC000244601743 509861899 /nfs/dbraw/zinc/86/18/99/509861899.db2.gz DRFWDLICDLFBIX-UHFFFAOYSA-N 0 3 374.514 2.661 50 0 FFAAHN CC(C)Cc1noc([C@H]2CCCN(CCC(=O)Nc3cccnc3)C2)n1 ZINC000244741835 509867461 /nfs/dbraw/zinc/86/74/61/509867461.db2.gz NXVHZEGNCQMWQL-HNNXBMFYSA-N 0 3 357.458 2.871 50 0 FFAAHN O=C(NCCN1CCC(c2ccccc2)CC1)[C@H](O)c1ccc(F)cc1 ZINC000244899599 509877645 /nfs/dbraw/zinc/87/76/45/509877645.db2.gz ZMPHCCSLGZWPSO-HXUWFJFHSA-N 0 3 356.441 2.855 50 0 FFAAHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000190437053 510130986 /nfs/dbraw/zinc/13/09/86/510130986.db2.gz CZZBKGFFDQPDGU-INIZCTEOSA-N 0 3 368.437 2.796 50 0 FFAAHN O=C(Nc1ccc2cccnc2c1)N1CCCO[C@@H](CN2CCCC2)C1 ZINC000299771966 511674082 /nfs/dbraw/zinc/67/40/82/511674082.db2.gz XKXCQJPYNUQTAL-SFHVURJKSA-N 0 3 354.454 2.953 50 0 FFAAHN CCc1nc2cc(NC(=O)N3CCCO[C@H](CN4CCCC4)C3)ccc2[nH]1 ZINC000299779009 511677217 /nfs/dbraw/zinc/67/72/17/511677217.db2.gz RXDNDODVRSUTLQ-MRXNPFEDSA-N 0 3 371.485 2.844 50 0 FFAAHN O=C([C@@H](O)c1cccc(F)c1)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000299792637 511681835 /nfs/dbraw/zinc/68/18/35/511681835.db2.gz GLHMXOASHCPHOM-NRFANRHFSA-N 0 3 368.452 2.561 50 0 FFAAHN CO[C@]12CCN(Cc3cccnc3N)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000299797172 511683985 /nfs/dbraw/zinc/68/39/85/511683985.db2.gz PRMMZJFQDLZCRS-ABSDTBQOSA-N 0 3 354.454 2.650 50 0 FFAAHN COCCN1CCC[C@H](CNC(=O)c2ccc(-c3ccc(C)nn3)cc2)C1 ZINC000426410468 513933340 /nfs/dbraw/zinc/93/33/40/513933340.db2.gz IPUMWKGQPDIOOH-QGZVFWFLSA-N 0 3 368.481 2.540 50 0 FFAAHN Cc1cccc([C@@H]2CCCN(C(=O)NCCCN3CCC(O)CC3)C2)c1 ZINC000426470542 513948301 /nfs/dbraw/zinc/94/83/01/513948301.db2.gz GQZVBKZECWJGHU-LJQANCHMSA-N 0 3 359.514 2.731 50 0 FFAAHN O=C(NCCCN1CCC(O)CC1)N(Cc1ccncc1)C1CCCCC1 ZINC000426538028 513974319 /nfs/dbraw/zinc/97/43/19/513974319.db2.gz CACZAYWAGCZXHR-UHFFFAOYSA-N 0 3 374.529 2.773 50 0 FFAAHN Cc1nn(C)cc1NC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC000426632860 514000794 /nfs/dbraw/zinc/00/07/94/514000794.db2.gz JJCHERKRQSIHFM-MSOLQXFVSA-N 0 3 353.470 2.857 50 0 FFAAHN CC(=O)c1ccccc1-c1ccc(C(=O)NC[C@H](O)CN2CCCC2)cc1 ZINC000426667318 514010379 /nfs/dbraw/zinc/01/03/79/514010379.db2.gz FRTPJBSXGBFTDO-IBGZPJMESA-N 0 3 366.461 2.743 50 0 FFAAHN Cc1cnccc1-c1ccc(C(=O)NCC[C@H](C)N2CCN(C)CC2)cc1 ZINC000426712537 514022165 /nfs/dbraw/zinc/02/21/65/514022165.db2.gz ABRQVAIKBVXEFY-SFHVURJKSA-N 0 3 366.509 2.813 50 0 FFAAHN C[C@H](CN1CCCC1)NC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000534590752 517957609 /nfs/dbraw/zinc/95/76/09/517957609.db2.gz FSZWITYXPQYITL-QPGLYAHGSA-N 0 3 356.514 2.511 50 0 FFAAHN O=C(NCC1CCN([C@@H]2CCOC2)CC1)c1ccccc1C(F)(F)F ZINC000575415709 518215912 /nfs/dbraw/zinc/21/59/12/518215912.db2.gz VGQNZLAYXPJNNT-CQSZACIVSA-N 0 3 356.388 2.936 50 0 FFAAHN COc1cccc(CN2CC[C@@H](n3c(C)cnc3C3CCOCC3)C2)n1 ZINC000575550261 518231728 /nfs/dbraw/zinc/23/17/28/518231728.db2.gz SFQJEKBOOCAEHJ-GOSISDBHSA-N 0 3 356.470 2.936 50 0 FFAAHN CC(C)CN1CCCn2nc(CNC(=O)NCc3cccc(F)c3)cc2C1 ZINC000082120248 519723268 /nfs/dbraw/zinc/72/32/68/519723268.db2.gz BGOWDTBYFYHKDF-UHFFFAOYSA-N 0 3 373.476 2.883 50 0 FFAAHN Cc1cccc(-n2ccnc2CN2CCC[C@H](N3CCC(CO)CC3)C2)c1 ZINC000019839603 524144162 /nfs/dbraw/zinc/14/41/62/524144162.db2.gz FYVXIPIFEBKQLN-NRFANRHFSA-N 0 3 368.525 2.849 50 0 FFAAHN Cc1cc(F)ccc1CN1CCC(c2nnc(Cn3cccn3)n2C)CC1 ZINC000091519264 524974544 /nfs/dbraw/zinc/97/45/44/524974544.db2.gz KDZZKHUPBZFPMZ-UHFFFAOYSA-N 0 3 368.460 2.887 50 0 FFAAHN Cn1nnnc1SCCNCc1cccc(OCc2ccccc2F)c1 ZINC000008723270 527659562 /nfs/dbraw/zinc/65/95/62/527659562.db2.gz PMXGFQDNXGQIHN-UHFFFAOYSA-N 0 3 373.457 2.810 50 0 FFAAHN COc1ccccc1N1CCN(C2CCN(C[C@@H]3CCCCO3)CC2)CC1 ZINC000252494478 537067999 /nfs/dbraw/zinc/06/79/99/537067999.db2.gz NXAUTFLCUQHNOY-FQEVSTJZSA-N 0 3 373.541 2.851 50 0 FFAAHN Cc1occc1C(=O)Nc1ccccc1C(=O)NC[C@]1(C)CCN(C)C1 ZINC000670439050 571348061 /nfs/dbraw/zinc/34/80/61/571348061.db2.gz IDJBHHFLDAVIQY-FQEVSTJZSA-N 0 3 355.438 2.912 50 0 FFAAHN O=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1cnc(C2CC2)nc1 ZINC000670451336 571352503 /nfs/dbraw/zinc/35/25/03/571352503.db2.gz TWUMHAWPNPMTEK-GOSISDBHSA-N 0 3 350.466 2.963 50 0 FFAAHN O=S(=O)(NC[C@@H](c1ccccc1)N1CCCCCC1)N1CCCC1 ZINC000670455405 571353760 /nfs/dbraw/zinc/35/37/60/571353760.db2.gz NCWIKZIYAXYLOY-SFHVURJKSA-N 0 3 351.516 2.534 50 0 FFAAHN COC[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H]1C(=O)NC1CC1 ZINC000253414364 729625804 /nfs/dbraw/zinc/62/58/04/729625804.db2.gz XGCUZZAUHXOBFL-XJKSGUPXSA-N 0 3 356.388 2.678 50 0 FFAAHN O=C(CN1CCCCCC1)N1CCC(CNC(=O)c2ccsc2)CC1 ZINC000952977727 740472158 /nfs/dbraw/zinc/47/21/58/740472158.db2.gz OWAMTFHDQDXSKM-UHFFFAOYSA-N 0 3 363.527 2.593 50 0 FFAAHN Cc1ncc(CN2CC[C@]3(C2)CCCN(Cc2ccccc2F)C3=O)cn1 ZINC000011958055 987817689 /nfs/dbraw/zinc/81/76/89/987817689.db2.gz CSQNGVSPFGPHGS-NRFANRHFSA-N 0 3 368.456 2.939 50 0 FFAAHN Cc1ccc(CNC[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)cc1 ZINC000012433041 989423351 /nfs/dbraw/zinc/42/33/51/989423351.db2.gz JSDHOVAFQZSNON-NRFANRHFSA-N 0 3 374.431 2.917 50 0 FFAAHN C[C@@H](CCc1nc(-c2cccc3c2ccn3C)n[nH]1)N1CCN(C)CC1 ZINC000823789303 999085622 /nfs/dbraw/zinc/08/56/22/999085622.db2.gz CQBGUDQTVAYYEJ-HNNXBMFYSA-N 0 3 352.486 2.532 50 0 FFAAHN CC(=O)c1cc(CN2CCOC3(CCN(Cc4ccoc4)CC3)C2)n(C)c1 ZINC000825636393 999344526 /nfs/dbraw/zinc/34/45/26/999344526.db2.gz KJVWHBHPUMUNFO-UHFFFAOYSA-N 0 3 371.481 2.688 50 0 FFAAHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cccc2c[nH]nc21 ZINC000192230018 1001267973 /nfs/dbraw/zinc/26/79/73/1001267973.db2.gz PICQTEVLGUOINX-GOSISDBHSA-N 0 3 364.449 2.584 50 0 FFAAHN COc1cc(CN2CC[C@@H](Nc3ncnc4cc(C)[nH]c43)C2)cc(OC)c1 ZINC000585082373 1008252300 /nfs/dbraw/zinc/25/23/00/1008252300.db2.gz KHQXAFOHDUKXOB-OAHLLOKOSA-N 0 3 367.453 2.970 50 0 FFAAHN CNc1ccc(C(=O)N2CCC[C@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000952845530 1010976389 /nfs/dbraw/zinc/97/63/89/1010976389.db2.gz PLMBMCQFKAJLRX-QGZVFWFLSA-N 0 3 353.470 2.503 50 0 FFAAHN O=C1Nc2ccccc2C12CCN(C[C@H]1COc3ccccc3O1)CC2 ZINC000072119561 1019815034 /nfs/dbraw/zinc/81/50/34/1019815034.db2.gz WOJLWNWGXTZZHH-HNNXBMFYSA-N 0 3 350.418 2.812 50 0 FFAAHN CNC(=O)c1cc[nH]c1[C@@H]1CCCN(Cc2ccc(OC)cc2OC)C1 ZINC000409420513 1033633826 /nfs/dbraw/zinc/63/38/26/1033633826.db2.gz UAHMARMDJUTJGI-OAHLLOKOSA-N 0 3 357.454 2.771 50 0 FFAAHN COCCSc1nnc(NC(=O)[C@H](C)N(C)C2CCCCC2)s1 ZINC001506401277 1059494123 /nfs/dbraw/zinc/49/41/23/1059494123.db2.gz CGBFNJCZBLQIRB-NSHDSACASA-N 0 3 358.533 2.868 50 0 FFAAHN Cc1cc(C[C@@H]2CN(Cc3cc4ccc(Cl)cc4[nH]c3=O)C[C@@H]2O)on1 ZINC001529155602 1062191563 /nfs/dbraw/zinc/19/15/63/1062191563.db2.gz VTDPCISTHIAMPR-ACJLOTCBSA-N 0 3 373.840 2.926 50 0 FFAAHN OCCN(Cc1ccccc1)C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434654 204019263 /nfs/dbraw/zinc/01/92/63/204019263.db2.gz MMNNUYXIVQXWHA-SWXIYASGSA-N 0 3 359.510 2.827 50 0 FFAAHN CCCCN(C)CCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12 ZINC000005067845 204189412 /nfs/dbraw/zinc/18/94/12/204189412.db2.gz HAYUBUAOWPIIFW-UHFFFAOYSA-N 0 3 373.497 2.546 50 0 FFAAHN COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC000010544060 204398527 /nfs/dbraw/zinc/39/85/27/204398527.db2.gz DDVDIJUTCFZIKD-OKILXGFUSA-N 0 3 374.934 2.995 50 0 FFAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)CCC(C)=O)cc1 ZINC000012744563 204490401 /nfs/dbraw/zinc/49/04/01/204490401.db2.gz WOVAVMCFUVAWSG-UHFFFAOYSA-N 0 3 360.498 2.777 50 0 FFAAHN COc1cc2c(cc1CN1CCC(n3cc([C@@H](C)O)nn3)CC1)CCC2 ZINC000023159577 204797864 /nfs/dbraw/zinc/79/78/64/204797864.db2.gz CBSVVKPAPPCKOX-CQSZACIVSA-N 0 3 356.470 2.666 50 0 FFAAHN CCCn1c(=O)cc(C(C)C)c2ccc(OCC(=O)NCCN(C)C)cc21 ZINC000034836196 204982240 /nfs/dbraw/zinc/98/22/40/204982240.db2.gz YPGSJZKNBKFPAW-UHFFFAOYSA-N 0 3 373.497 2.592 50 0 FFAAHN C[C@H]1CCCc2sc3nc(SCCN4CCCC4)n(N)c(=O)c3c21 ZINC000036646178 205019793 /nfs/dbraw/zinc/01/97/93/205019793.db2.gz ANYQJRQGGPJYLR-NSHDSACASA-N 0 3 364.540 2.800 50 0 FFAAHN CC[C@@H](NC(=O)CN1CCCN(C)CC1)c1ccc(Br)cc1 ZINC000040009430 205048424 /nfs/dbraw/zinc/04/84/24/205048424.db2.gz BHGQUKWSUDVEEV-MRXNPFEDSA-N 0 3 368.319 2.654 50 0 FFAAHN COc1cc(Cl)c(C)cc1NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000040099144 205054852 /nfs/dbraw/zinc/05/48/52/205054852.db2.gz ARBZLGUNANZVRG-CYBMUJFWSA-N 0 3 355.866 2.625 50 0 FFAAHN O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCCN1CCCCC1 ZINC000047140084 205142930 /nfs/dbraw/zinc/14/29/30/205142930.db2.gz BDFFNLWSVTXMSB-UHFFFAOYSA-N 0 3 372.494 2.540 50 0 FFAAHN CCCNC(=O)[C@@H]1CCCN(C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000050995412 205179099 /nfs/dbraw/zinc/17/90/99/205179099.db2.gz ZYFVTLZWKANQIZ-ZBFHGGJFSA-N 0 3 358.404 2.977 50 0 FFAAHN CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)[C@H](N)Cc1ccccc1 ZINC000055119928 205208838 /nfs/dbraw/zinc/20/88/38/205208838.db2.gz GTICNTYEXVJSPF-GOSISDBHSA-N 0 3 352.413 2.744 50 0 FFAAHN Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CCN(C3CC3)C2)c1 ZINC000058203217 205260014 /nfs/dbraw/zinc/26/00/14/205260014.db2.gz VOIIUZOFZLTWNE-MRXNPFEDSA-N 0 3 355.438 2.837 50 0 FFAAHN COc1cccc(CN2CCC(NC(=O)c3ccc(N(C)C)nc3)CC2)c1 ZINC000058246544 205267683 /nfs/dbraw/zinc/26/76/83/205267683.db2.gz NJOUYWDCZNQUOC-UHFFFAOYSA-N 0 3 368.481 2.551 50 0 FFAAHN O[C@@H](COc1c(Cl)cccc1Cl)CN1CCCN(C2CC2)CC1 ZINC000061041151 205284908 /nfs/dbraw/zinc/28/49/08/205284908.db2.gz MFCANJLOVUWZLL-CQSZACIVSA-N 0 3 359.297 2.903 50 0 FFAAHN C[C@H](NC(=O)CN1CCCN(C2CC2)CC1)c1ccc2c(c1)CCCC2 ZINC000061041071 205285304 /nfs/dbraw/zinc/28/53/04/205285304.db2.gz LVRPSQUDGOICEG-KRWDZBQOSA-N 0 3 355.526 2.913 50 0 FFAAHN Cc1cccc(-c2ncc(CN3CCN(C4CCOCC4)CC3)cn2)c1 ZINC000063856861 205296193 /nfs/dbraw/zinc/29/61/93/205296193.db2.gz GBIKGSRIFJHKFO-UHFFFAOYSA-N 0 3 352.482 2.749 50 0 FFAAHN O=C(Cn1cc(-c2ccccc2)oc1=O)N1CCN(C2CCCCC2)CC1 ZINC000065255517 205331796 /nfs/dbraw/zinc/33/17/96/205331796.db2.gz XLWPNDSUFVNZOR-UHFFFAOYSA-N 0 3 369.465 2.585 50 0 FFAAHN CCOc1cccc(OCCN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000065491491 205355726 /nfs/dbraw/zinc/35/57/26/205355726.db2.gz ALZQTNJLKCQIDU-SJORKVTESA-N 0 3 354.450 2.745 50 0 FFAAHN COc1ccc(OC)c([C@H]2CCN(CCC(=O)Nc3nccs3)C2)c1 ZINC000065526100 205356521 /nfs/dbraw/zinc/35/65/21/205356521.db2.gz BZECRYIOSBVGEI-ZDUSSCGKSA-N 0 3 361.467 2.978 50 0 FFAAHN COc1cccc2c1OCC(CN1CCC(C(=O)N3CCCC3)CC1)=C2 ZINC000065395515 205344615 /nfs/dbraw/zinc/34/46/15/205344615.db2.gz VTIRXBVICXMMKI-UHFFFAOYSA-N 0 3 356.466 2.805 50 0 FFAAHN CCN(CCN(C)C)C(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000067642125 205378953 /nfs/dbraw/zinc/37/89/53/205378953.db2.gz SYQBLQJSRUMUBC-UHFFFAOYSA-N 0 3 353.369 2.556 50 0 FFAAHN N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCc2onc(-c3ccccc3)c2C1 ZINC000067650515 205379447 /nfs/dbraw/zinc/37/94/47/205379447.db2.gz YTPISOKQMMCIBV-SFHVURJKSA-N 0 3 363.417 2.502 50 0 FFAAHN Cc1ccc(CNC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)s1 ZINC000067654629 205380210 /nfs/dbraw/zinc/38/02/10/205380210.db2.gz NDWBYSKLGSFMOO-FQEVSTJZSA-N 0 3 358.507 2.742 50 0 FFAAHN CN(C(=O)CCN1CCCC1=O)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000067739795 205387486 /nfs/dbraw/zinc/38/74/86/205387486.db2.gz APSGCSWHFHDUAF-FQEVSTJZSA-N 0 3 371.525 2.555 50 0 FFAAHN CN(C[C@@]1(C)CCN(C)C1)C(=O)c1cc(COc2ccccc2F)[nH]n1 ZINC000067757945 205389728 /nfs/dbraw/zinc/38/97/28/205389728.db2.gz LHBNPQFIBOARKH-IBGZPJMESA-N 0 3 360.433 2.542 50 0 FFAAHN NC(=O)C1CC[NH+]([C@@H](C(=O)[O-])c2ccc(Oc3ccccc3)cc2)CC1 ZINC000095392059 205751545 /nfs/dbraw/zinc/75/15/45/205751545.db2.gz HZANXRJNQDVBLN-GOSISDBHSA-N 0 3 354.406 2.802 50 0 FFAAHN COc1ccc(C(=O)NCC(F)F)cc1OC1CCN(C(C)C)CC1 ZINC000095505150 205771663 /nfs/dbraw/zinc/77/16/63/205771663.db2.gz IBZONWNRZKQULD-UHFFFAOYSA-N 0 3 356.413 2.942 50 0 FFAAHN CN(C)C[C@@H](O)COc1ccc(Br)cc1Br ZINC000012420351 206290809 /nfs/dbraw/zinc/29/08/09/206290809.db2.gz GGBVNYZQGSIRJO-SECBINFHSA-N 0 3 353.054 2.513 50 0 FFAAHN COc1ccc(-c2ncc(CN3CCC[C@@H](c4nnc[nH]4)C3)cn2)cc1 ZINC000215384488 206345162 /nfs/dbraw/zinc/34/51/62/206345162.db2.gz SIYQWHHZBSXSON-MRXNPFEDSA-N 0 3 350.426 2.650 50 0 FFAAHN O=C(c1cccs1)N1CCC(N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)CC1 ZINC000219601130 206386614 /nfs/dbraw/zinc/38/66/14/206386614.db2.gz VYDBZTMQIRMLDF-GMBSWORKSA-N 0 3 371.506 2.850 50 0 FFAAHN O=C(Cc1ccc(F)cc1Cl)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000220070839 206397353 /nfs/dbraw/zinc/39/73/53/206397353.db2.gz NWKQKDKHKWMCPA-INIZCTEOSA-N 0 3 354.853 2.781 50 0 FFAAHN N[C@@H](CC(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1)c1ccccc1 ZINC000163346870 251185408 /nfs/dbraw/zinc/18/54/08/251185408.db2.gz FVJWGUWNBIQELS-KRWDZBQOSA-N 0 3 364.449 2.583 50 0 FFAAHN C[C@@H](NC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2)C1=CCN(C)CC1 ZINC000332884868 258243141 /nfs/dbraw/zinc/24/31/41/258243141.db2.gz PYUGEBZLDLALPF-NVXWUHKLSA-N 0 3 372.517 2.501 50 0 FFAAHN CN(C)CCO[C@H]1C[C@@H](O)C12CCN(c1nccc3ccccc31)CC2 ZINC000091915107 132204900 /nfs/dbraw/zinc/20/49/00/132204900.db2.gz JEBQUKAVOODZMY-MOPGFXCFSA-N 0 3 355.482 2.533 50 0 FFAAHN Cc1cc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C)C3)nc(N)n1 ZINC000095376353 132209274 /nfs/dbraw/zinc/20/92/74/132209274.db2.gz TUEUDEOCHIHXET-QGZVFWFLSA-N 0 3 365.481 2.600 50 0 FFAAHN CC[C@@H](NC(=O)CCN1CCN(c2cccc(C)c2)CC1)c1ccnn1C ZINC000095382195 132209865 /nfs/dbraw/zinc/20/98/65/132209865.db2.gz ONRUULFBODWRLN-LJQANCHMSA-N 0 3 369.513 2.508 50 0 FFAAHN C[C@H](C(=O)Nc1nccs1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000241776762 132289658 /nfs/dbraw/zinc/28/96/58/132289658.db2.gz RSFYNLPIKQMXPB-CQSZACIVSA-N 0 3 367.478 2.841 50 0 FFAAHN COc1cccc(N2CCN(C3CCN([C@H]4CCCCC4=O)CC3)CC2)c1 ZINC000252490482 132292702 /nfs/dbraw/zinc/29/27/02/132292702.db2.gz KUVOHMUMLMWYMR-NRFANRHFSA-N 0 3 371.525 2.793 50 0 FFAAHN COc1ccc(CCNC(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000070928929 136138596 /nfs/dbraw/zinc/13/85/96/136138596.db2.gz XQFITPBHAKNCDD-UHFFFAOYSA-N 0 3 368.481 2.849 50 0 FFAAHN Cc1cc(N2CCC[C@H](N3CCCC3=O)C2)c2cc3c(cc2n1)OCO3 ZINC000071738505 136139837 /nfs/dbraw/zinc/13/98/37/136139837.db2.gz NMNYDOSMGFZBGA-AWEZNQCLSA-N 0 3 353.422 2.863 50 0 FFAAHN c1cnn(-c2ccc(N3CCC(NCc4[nH]nc5c4CCC5)CC3)cc2)c1 ZINC000023192782 136152479 /nfs/dbraw/zinc/15/24/79/136152479.db2.gz SPXSCNZAKXMGQJ-UHFFFAOYSA-N 0 3 362.481 2.843 50 0 FFAAHN CCNC(=O)[C@@H]1C[C@H](NCc2ccc(F)c(F)c2)CN1Cc1ccccc1 ZINC000032520362 506261500 /nfs/dbraw/zinc/26/15/00/506261500.db2.gz SCIHOPRMADXNJV-PXNSSMCTSA-N 0 3 373.447 2.834 50 0 FFAAHN C[C@@H]1c2ccsc2CCN1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000032776778 506293500 /nfs/dbraw/zinc/29/35/00/506293500.db2.gz WXJRPEJNQITXTK-MRXNPFEDSA-N 0 3 370.522 2.801 50 0 FFAAHN CN(CCCNC(=O)C1CCN(C(=O)C(C)(C)C)CC1)Cc1ccccc1 ZINC000032901580 506309685 /nfs/dbraw/zinc/30/96/85/506309685.db2.gz BHYZCKSXIDMVJD-UHFFFAOYSA-N 0 3 373.541 2.909 50 0 FFAAHN CCOC(=O)C1=C(CN2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1ccccc1 ZINC000034690161 506367954 /nfs/dbraw/zinc/36/79/54/506367954.db2.gz DKTQTXSHRGRCCF-KHYOSLBOSA-N 0 3 371.481 2.836 50 0 FFAAHN Cn1ccnc1SCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000065901455 506390076 /nfs/dbraw/zinc/39/00/76/506390076.db2.gz JLKCSRJAHKGYEQ-KRWDZBQOSA-N 0 3 358.511 2.541 50 0 FFAAHN CC(C)(CNC(=O)c1ccc(CN2CCCCC2)cc1)N1CCOCC1 ZINC000040017196 506457886 /nfs/dbraw/zinc/45/78/86/506457886.db2.gz IXEAYYMPZXEIHT-UHFFFAOYSA-N 0 3 359.514 2.513 50 0 FFAAHN CN(C)S(=O)(=O)NC[C@H]1CCCN(Cc2cc3ccccc3s2)C1 ZINC000012198974 506833662 /nfs/dbraw/zinc/83/36/62/506833662.db2.gz KVGKJSWCEAIHTK-CQSZACIVSA-N 0 3 367.540 2.509 50 0 FFAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)CSC)cc1 ZINC000012201888 506834194 /nfs/dbraw/zinc/83/41/94/506834194.db2.gz RACTWZRSECPYRA-UHFFFAOYSA-N 0 3 350.528 2.771 50 0 FFAAHN CCOC(=O)c1n[nH]cc1CN(C)CC1CCN(Cc2ccc(C)o2)CC1 ZINC000012306488 506846519 /nfs/dbraw/zinc/84/65/19/506846519.db2.gz TYUGGNFLAFSYRG-UHFFFAOYSA-N 0 3 374.485 2.832 50 0 FFAAHN CCCCn1c(C)c(CC(=O)N2CC[C@@H](N(C)C)C2)c2c1CCCC2=O ZINC000012373133 506855665 /nfs/dbraw/zinc/85/56/65/506855665.db2.gz WISORGYTIPBWQX-MRXNPFEDSA-N 0 3 359.514 2.821 50 0 FFAAHN Cc1c(NC(=O)[C@H](C)N2C[C@H](C)C[C@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000012601457 506881781 /nfs/dbraw/zinc/88/17/81/506881781.db2.gz SYGMLVDCRSEUQO-UXLLHSPISA-N 0 3 370.497 2.789 50 0 FFAAHN CSc1ccccc1OCc1cc(C(=O)N2CCN3CCC[C@H]3C2)no1 ZINC000012595192 506882673 /nfs/dbraw/zinc/88/26/73/506882673.db2.gz HILQUIRKKKDOLY-AWEZNQCLSA-N 0 3 373.478 2.896 50 0 FFAAHN CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1ccsc1)C2 ZINC000014747071 506998955 /nfs/dbraw/zinc/99/89/55/506998955.db2.gz GIEPXQJVDLPDOK-HNNXBMFYSA-N 0 3 358.511 2.848 50 0 FFAAHN CCCn1ncc(CN2CCC[C@@](CCOC)(C(=O)OCC)C2)c1C ZINC000014972730 507009189 /nfs/dbraw/zinc/00/91/89/507009189.db2.gz XXFKXNODSANWNQ-IBGZPJMESA-N 0 3 351.491 2.783 50 0 FFAAHN CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3ccccc3C)C2)nn1 ZINC000014996234 507011186 /nfs/dbraw/zinc/01/11/86/507011186.db2.gz ROCJBMPVFYSCBQ-SFHVURJKSA-N 0 3 355.486 2.906 50 0 FFAAHN Cc1cccc(C)c1OCc1cc(C(=O)N2CCN3CCC[C@H]3C2)no1 ZINC000015063535 507016291 /nfs/dbraw/zinc/01/62/91/507016291.db2.gz VYJNXDBYXHVJGP-INIZCTEOSA-N 0 3 355.438 2.791 50 0 FFAAHN O=C(COCc1cc(-c2cccs2)on1)NCCN1CCCCCC1 ZINC000015679222 507054296 /nfs/dbraw/zinc/05/42/96/507054296.db2.gz CFNGAKWKGSYLCM-UHFFFAOYSA-N 0 3 363.483 2.912 50 0 FFAAHN Cn1nc(C(=O)NCCN2CCCCCC2)c2c1-c1ccccc1OC2 ZINC000015674350 507054589 /nfs/dbraw/zinc/05/45/89/507054589.db2.gz VGOQRETXMLYDLJ-UHFFFAOYSA-N 0 3 354.454 2.585 50 0 FFAAHN Cc1ccccc1CNCc1cccn1-c1nnc(N2CCOCC2)s1 ZINC000015728198 507056489 /nfs/dbraw/zinc/05/64/89/507056489.db2.gz SUJMTCXJTYJOPZ-UHFFFAOYSA-N 0 3 369.494 2.764 50 0 FFAAHN Fc1cccc(Cc2noc(CN3CCN(c4ccncc4)CC3)n2)c1 ZINC000019145304 507157274 /nfs/dbraw/zinc/15/72/74/507157274.db2.gz LSYLGZPYPPYOOX-UHFFFAOYSA-N 0 3 353.401 2.517 50 0 FFAAHN Cn1cc(C(=O)N2CCCC[C@@H]2CN2CCCC2)c(=O)c2ccccc21 ZINC000019147110 507157545 /nfs/dbraw/zinc/15/75/45/507157545.db2.gz QVIWTLNXFKQSOU-MRXNPFEDSA-N 0 3 353.466 2.629 50 0 FFAAHN COc1cc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)ccc1O ZINC000023360781 507346881 /nfs/dbraw/zinc/34/68/81/507346881.db2.gz WKKLPXJTWWXHQQ-FQEVSTJZSA-N 0 3 370.493 2.778 50 0 FFAAHN Cc1nn(-c2ccccc2C)c(C)c1CNC[C@@H]1CNc2ccnn2C1 ZINC000058315948 507405083 /nfs/dbraw/zinc/40/50/83/507405083.db2.gz JZHUXGMJLLEEOS-QGZVFWFLSA-N 0 3 350.470 2.826 50 0 FFAAHN COC(=O)c1ccc(CN(C)C[C@@H](O)COc2cc(C)ccc2C)cc1 ZINC000027207792 507638343 /nfs/dbraw/zinc/63/83/43/507638343.db2.gz JRSBNUAXQSJEDP-LJQANCHMSA-N 0 3 357.450 2.962 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)NCc3cccc(C)c3)cnn2c1 ZINC000071314961 507700806 /nfs/dbraw/zinc/70/08/06/507700806.db2.gz RYOSVMJNMHWWLD-UHFFFAOYSA-N 0 3 351.454 2.810 50 0 FFAAHN CC(=O)c1ccc(OCc2ccc(C(=O)N3CCN4CCC[C@H]4C3)o2)cc1 ZINC000028234008 507713693 /nfs/dbraw/zinc/71/36/93/507713693.db2.gz GJOQCBDPAKLEJS-KRWDZBQOSA-N 0 3 368.433 2.981 50 0 FFAAHN O=C(CN1CCCCC1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072151316 507760642 /nfs/dbraw/zinc/76/06/42/507760642.db2.gz SJBCMFMRLBMKAA-CEMLEFRQSA-N 0 3 353.510 2.561 50 0 FFAAHN Cc1ccc(N[C@@H]2CCCN(C(=O)c3n[nH]c4c3CN(C)CC4)C2)cc1C ZINC000072153517 507761327 /nfs/dbraw/zinc/76/13/27/507761327.db2.gz KXHUHMGBBPBGBM-QGZVFWFLSA-N 0 3 367.497 2.731 50 0 FFAAHN COc1ccc(-n2cccn2)c(CN[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000072156964 507763395 /nfs/dbraw/zinc/76/33/95/507763395.db2.gz XARHPIJUWLRVHD-QGZVFWFLSA-N 0 3 362.433 2.776 50 0 FFAAHN C[C@@H](C1CCN(C(=O)c2ccccc2OC(F)F)CC1)N1CCOCC1 ZINC000072409579 507785051 /nfs/dbraw/zinc/78/50/51/507785051.db2.gz BUXQIAYCGKJSFX-AWEZNQCLSA-N 0 3 368.424 2.861 50 0 FFAAHN O=C1CC[C@H]2CN(Cc3ccc(F)cc3)CC[C@H]2N1CCc1c[nH]cn1 ZINC000072418858 507786177 /nfs/dbraw/zinc/78/61/77/507786177.db2.gz QQMDVZPRVSZRIC-QFBILLFUSA-N 0 3 356.445 2.604 50 0 FFAAHN O=C1CC[C@H]2CN(Cc3ccc(F)cc3)CC[C@H]2N1CCc1cnc[nH]1 ZINC000072418858 507786180 /nfs/dbraw/zinc/78/61/80/507786180.db2.gz QQMDVZPRVSZRIC-QFBILLFUSA-N 0 3 356.445 2.604 50 0 FFAAHN O=C1CC[C@H]2CN(Cc3cccc(Cl)c3)CC[C@H]2N1CCCCO ZINC000072421525 507787491 /nfs/dbraw/zinc/78/74/91/507787491.db2.gz VXFBWHKMPDTTMJ-FUHWJXTLSA-N 0 3 350.890 2.925 50 0 FFAAHN CCN1CCc2nc(-c3ccco3)nc(N(C)Cc3ncc[nH]3)c2CC1 ZINC000072424103 507787511 /nfs/dbraw/zinc/78/75/11/507787511.db2.gz DOHGXPPBLZEIBJ-UHFFFAOYSA-N 0 3 352.442 2.517 50 0 FFAAHN CC(C)(O)CCc1cccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000072426438 507788346 /nfs/dbraw/zinc/78/83/46/507788346.db2.gz YCNRYXJOLOUZQQ-HXUWFJFHSA-N 0 3 374.525 2.763 50 0 FFAAHN CN(Cc1nc2ccccc2s1)C(=O)CCc1cc2n(n1)CCCNC2 ZINC000072428801 507789213 /nfs/dbraw/zinc/78/92/13/507789213.db2.gz KCPFBUKPHZINGA-UHFFFAOYSA-N 0 3 369.494 2.577 50 0 FFAAHN CNc1nc(C)c(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)s1 ZINC000072447775 507792947 /nfs/dbraw/zinc/79/29/47/507792947.db2.gz JYNRVPKZLCXPQI-UHFFFAOYSA-N 0 3 370.522 2.809 50 0 FFAAHN O=C(CCc1cc2n(n1)CCCNC2)N1CC=C(c2ccc(F)cc2)CC1 ZINC000072458503 507793782 /nfs/dbraw/zinc/79/37/82/507793782.db2.gz BKIMFQKTAXHZMX-UHFFFAOYSA-N 0 3 368.456 2.764 50 0 FFAAHN O=C(CCc1c[nH]c2ccccc12)N1CCN(C2CCCC2)[C@H](CCO)C1 ZINC000072463186 507793919 /nfs/dbraw/zinc/79/39/19/507793919.db2.gz SCXPZWMWXGTPTP-LJQANCHMSA-N 0 3 369.509 2.938 50 0 FFAAHN O=C1CC[C@]2(CCCN(Cc3ccncc3)C2)CN1CCc1ccccn1 ZINC000091586998 507993713 /nfs/dbraw/zinc/99/37/13/507993713.db2.gz RIRLOGYPBKXOCK-QFIPXVFZSA-N 0 3 364.493 2.924 50 0 FFAAHN Cc1ccc2[nH]c(CN3CCC[C@]4(CN(C)C(=O)O4)CC3)cc(=O)c2c1 ZINC000091593123 507994631 /nfs/dbraw/zinc/99/46/31/507994631.db2.gz GJGPYTQNDNIPAW-HXUWFJFHSA-N 0 3 355.438 2.643 50 0 FFAAHN COc1ccc(CN2CCC3(CCC(=O)N(C[C@@H](C)O)C3)CC2)cc1C ZINC000091624914 507997234 /nfs/dbraw/zinc/99/72/34/507997234.db2.gz XGKHBXDAFSURPA-QGZVFWFLSA-N 0 3 360.498 2.589 50 0 FFAAHN CC(C)[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1NC(=O)N(C)C ZINC000091635930 507999117 /nfs/dbraw/zinc/99/91/17/507999117.db2.gz HEFYNDSUIWIGRS-ZWKOTPCHSA-N 0 3 355.486 2.804 50 0 FFAAHN c1cn(-c2ccc(CN3C[C@H]4CC[C@@H]3CN(c3ncccn3)C4)cc2)cn1 ZINC000091679907 508001785 /nfs/dbraw/zinc/00/17/85/508001785.db2.gz UFNGTYJONOZFLI-UYAOXDASSA-N 0 3 360.465 2.763 50 0 FFAAHN C=Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cc1 ZINC000091695123 508002959 /nfs/dbraw/zinc/00/29/59/508002959.db2.gz ZPTNASGSVMSSJR-UHFFFAOYSA-N 0 3 369.509 2.736 50 0 FFAAHN CCN1CC[C@]2(CN(Cc3cccc(Cl)c3F)CCN2C)CCC1=O ZINC000091848748 508018928 /nfs/dbraw/zinc/01/89/28/508018928.db2.gz BYFCDOIMYWAQBS-IBGZPJMESA-N 0 3 367.896 2.998 50 0 FFAAHN Cc1nn(C)cc1CN1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000091915221 508024641 /nfs/dbraw/zinc/02/46/41/508024641.db2.gz CKQYUJSNXIMMRI-OAQYLSRUSA-N 0 3 367.497 2.528 50 0 FFAAHN CSc1ccccc1CN1CCC2(CCC(=O)N(CCCO)C2)CC1 ZINC000092028021 508034250 /nfs/dbraw/zinc/03/42/50/508034250.db2.gz FAJBJTROCPWSOC-UHFFFAOYSA-N 0 3 362.539 2.996 50 0 FFAAHN CCc1nn(C)cc1C(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCCN1CC ZINC000092544945 508080578 /nfs/dbraw/zinc/08/05/78/508080578.db2.gz ATGWSBHGGYQDSB-KRWDZBQOSA-N 0 3 370.497 2.815 50 0 FFAAHN CCn1ccc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000095355865 508174588 /nfs/dbraw/zinc/17/45/88/508174588.db2.gz DICIEYMKBCIMAB-CEWLAPEOSA-N 0 3 364.493 2.914 50 0 FFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000095388885 508182868 /nfs/dbraw/zinc/18/28/68/508182868.db2.gz HSYKOQKSIKDEKH-KRWDZBQOSA-N 0 3 358.461 2.533 50 0 FFAAHN OCc1ccccc1CN1CCN(C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095503905 508191388 /nfs/dbraw/zinc/19/13/88/508191388.db2.gz HOWAQNBTTWWSDZ-IBGZPJMESA-N 0 3 366.505 2.938 50 0 FFAAHN CCCc1cc(-c2nc(CCSC)nn2C2CCN(C)CC2)n(C)n1 ZINC000095510925 508192553 /nfs/dbraw/zinc/19/25/53/508192553.db2.gz IGXZBHNVYNXUOM-UHFFFAOYSA-N 0 3 362.547 2.803 50 0 FFAAHN CC(C)[C@@H]1CN(Cc2ccccc2Cn2cccn2)C[C@H]1NC(=O)N(C)C ZINC000095519051 508194224 /nfs/dbraw/zinc/19/42/24/508194224.db2.gz GGQJNNUCUSEIMD-VQTJNVASSA-N 0 3 369.513 2.659 50 0 FFAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cc[nH]n1 ZINC000095531712 508197016 /nfs/dbraw/zinc/19/70/16/508197016.db2.gz GJGFBSKIEDTDKH-SFHVURJKSA-N 0 3 370.497 2.835 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000096116215 508206722 /nfs/dbraw/zinc/20/67/22/508206722.db2.gz RMRPFOMNONHARM-INIZCTEOSA-N 0 3 372.465 2.698 50 0 biogenic FFAAHN Cc1ccc(/C=C\C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)o1 ZINC000096130225 508207490 /nfs/dbraw/zinc/20/74/90/508207490.db2.gz HBWNHDGTDTVJOS-FPLPWBNLSA-N 0 3 367.449 2.937 50 0 FFAAHN Cc1nc2cc(-c3nc(CC4CCN(C)CC4)nn3CCO)ccc2s1 ZINC000096138500 508207562 /nfs/dbraw/zinc/20/75/62/508207562.db2.gz GQAQQFKMBIAULW-UHFFFAOYSA-N 0 3 371.510 2.740 50 0 FFAAHN C[C@H](Cc1cnccn1)NC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000096163427 508209494 /nfs/dbraw/zinc/20/94/94/508209494.db2.gz MVDGVWUBEASRIG-OAHLLOKOSA-N 0 3 369.469 2.702 50 0 FFAAHN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3sccc3C)C2)CC1 ZINC000096416647 508214730 /nfs/dbraw/zinc/21/47/30/508214730.db2.gz KMSHCJCRAFEJFD-MRXNPFEDSA-N 0 3 351.516 2.795 50 0 FFAAHN COc1ccc([C@@H](CNC(=O)/C=C\c2ccc3c(c2)OCO3)N(C)C)cc1 ZINC000096639895 508215365 /nfs/dbraw/zinc/21/53/65/508215365.db2.gz WWIJFCLGXNVGQL-RKMNRJFLSA-N 0 3 368.433 2.856 50 0 FFAAHN CCC[C@@H]1CN(S(=O)(=O)c2ccc(OC(F)F)cc2)C[C@H]1N(C)C ZINC000082098212 508225294 /nfs/dbraw/zinc/22/52/94/508225294.db2.gz RWLREMIHLBDEMZ-IUODEOHRSA-N 0 3 362.442 2.639 50 0 FFAAHN O=C(Cn1ccccc1=O)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000097528081 508225924 /nfs/dbraw/zinc/22/59/24/508225924.db2.gz HTYYHHPBHMTPMO-LJQANCHMSA-N 0 3 353.466 2.582 50 0 FFAAHN O=c1cc(CN2CCCCCC2)nc2[nH]c(NCc3ccc(F)cc3)nn21 ZINC000101796478 508257705 /nfs/dbraw/zinc/25/77/05/508257705.db2.gz JKAVGXOIFVTMBC-UHFFFAOYSA-N 0 3 370.432 2.545 50 0 FFAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cc(C)nc2c(C)c(C)ccc12 ZINC000077285524 508295351 /nfs/dbraw/zinc/29/53/51/508295351.db2.gz HFVDDRJUKRWOAU-OALUTQOASA-N 0 3 355.482 2.997 50 0 FFAAHN COc1ccc(CN2CCCn3nc([C@@H](O)CN(C)C)cc3C2)c(C)c1C ZINC000221427952 509308108 /nfs/dbraw/zinc/30/81/08/509308108.db2.gz ZPSHQAHHNLRPDF-FQEVSTJZSA-N 0 3 372.513 2.509 50 0 FFAAHN COc1ccc(CN2CCCn3nc([C@H](O)CN(C)C)cc3C2)c(C)c1C ZINC000221427906 509308542 /nfs/dbraw/zinc/30/85/42/509308542.db2.gz ZPSHQAHHNLRPDF-HXUWFJFHSA-N 0 3 372.513 2.509 50 0 FFAAHN Cc1cnc2c(cccc2S(=O)(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000221923893 509310091 /nfs/dbraw/zinc/31/00/91/509310091.db2.gz DOANCMYCYVZVON-ZBFHGGJFSA-N 0 3 361.511 2.942 50 0 FFAAHN Cc1cnc2c(cccc2S(=O)(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000221923947 509311126 /nfs/dbraw/zinc/31/11/26/509311126.db2.gz DOANCMYCYVZVON-GDBMZVCRSA-N 0 3 361.511 2.942 50 0 FFAAHN CC(C)[C@@H](NC(=O)C1(c2ccccc2)CCN(C)CC1)c1nccn1C ZINC000223682112 509346466 /nfs/dbraw/zinc/34/64/66/509346466.db2.gz MYAALZDRYXOSGQ-GOSISDBHSA-N 0 3 354.498 2.897 50 0 FFAAHN C[C@@H]1CCCN(CCNC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000225394969 509371017 /nfs/dbraw/zinc/37/10/17/509371017.db2.gz IIXAAJQIYOTFKQ-LLVKDONJSA-N 0 3 365.275 2.787 50 0 FFAAHN O=C(CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)NC(=O)NC1CCCCC1 ZINC000252550361 509853220 /nfs/dbraw/zinc/85/32/20/509853220.db2.gz SLRKJCSCQFDPJA-RCCFBDPRSA-N 0 3 365.518 2.551 50 0 FFAAHN O=C(NCc1nc(-c2ccc(F)cc2)no1)C1(N2CCCC2)CCCC1 ZINC000244708320 509864919 /nfs/dbraw/zinc/86/49/19/509864919.db2.gz KRQCLLCTYZIXQZ-UHFFFAOYSA-N 0 3 358.417 2.901 50 0 FFAAHN COC(=O)c1cc(CNCC(C)(C)NC(=O)OC(C)(C)C)n(C)c1C ZINC000253393960 509874955 /nfs/dbraw/zinc/87/49/55/509874955.db2.gz SDTMDGUBFOHOKN-UHFFFAOYSA-N 0 3 353.463 2.513 50 0 FFAAHN CC(=O)N1CCC2(C[C@H](c3nnc(C)o3)N(CCc3ccccc3)C2)CC1 ZINC000257192136 509953315 /nfs/dbraw/zinc/95/33/15/509953315.db2.gz SOBWYUVKCNEHTC-LJQANCHMSA-N 0 3 368.481 2.996 50 0 FFAAHN COc1c(Cl)cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2OC)cc1Cl ZINC000299759394 511671677 /nfs/dbraw/zinc/67/16/77/511671677.db2.gz RLLSIMFUKWHBGN-KBPBESRZSA-N 0 3 361.269 2.839 50 0 FFAAHN COCCN1CCC(CN(C)C(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000299776392 511676109 /nfs/dbraw/zinc/67/61/09/511676109.db2.gz AXJAPFQOUWFYOV-UHFFFAOYSA-N 0 3 363.506 2.820 50 0 FFAAHN O=C(NCCN1CCC(CO)CC1)c1ccccc1-c1ccccc1F ZINC000299779093 511677292 /nfs/dbraw/zinc/67/72/92/511677292.db2.gz SLPZUCGNOJRHHG-UHFFFAOYSA-N 0 3 356.441 2.927 50 0 FFAAHN O=C1C[C@H](CN2CCN(C3CCSCC3)CC2)CN1c1ccccc1 ZINC000299791946 511682565 /nfs/dbraw/zinc/68/25/65/511682565.db2.gz DHHCAWYZUPAPLD-QGZVFWFLSA-N 0 3 359.539 2.553 50 0 FFAAHN COCCCN(Cc1ccc(F)cc1)C(=O)NC[C@@]1(C)CCN(C)C1 ZINC000426503190 513963096 /nfs/dbraw/zinc/96/30/96/513963096.db2.gz LXLMPSJNAKVIAU-LJQANCHMSA-N 0 3 351.466 2.716 50 0 FFAAHN COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCN(c2ccncc2)CC1 ZINC000426544923 513975928 /nfs/dbraw/zinc/97/59/28/513975928.db2.gz DOURIIMNNUJOKZ-FQEVSTJZSA-N 0 3 366.465 2.999 50 0 FFAAHN CN1CCC(N(CCc2ccccc2)C(=O)NCC2CCOCC2)CC1 ZINC000426544603 513975993 /nfs/dbraw/zinc/97/59/93/513975993.db2.gz AMVWLLQPCCEXKS-UHFFFAOYSA-N 0 3 359.514 2.762 50 0 FFAAHN COc1ccc([C@@H](C)NC(=O)N2CCC(N3CCSCC3)CC2)cc1 ZINC000426546234 513977010 /nfs/dbraw/zinc/97/70/10/513977010.db2.gz QYOLADCYIQLMMV-OAHLLOKOSA-N 0 3 363.527 2.979 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000426647265 514005268 /nfs/dbraw/zinc/00/52/68/514005268.db2.gz MZTVYGQIZWSIJC-CLOLKSBNSA-N 0 3 356.514 2.511 50 0 FFAAHN Cc1ccc2[nH]c(CNC(=O)N3CCC(N4CCSCC4)CC3)nc2c1 ZINC000426648210 514005468 /nfs/dbraw/zinc/00/54/68/514005468.db2.gz XFJBLOAQVLPZFV-UHFFFAOYSA-N 0 3 373.526 2.594 50 0 FFAAHN Cc1ccc2nc(CNC(=O)N3CCC(N4CCSCC4)CC3)[nH]c2c1 ZINC000426648210 514005474 /nfs/dbraw/zinc/00/54/74/514005474.db2.gz XFJBLOAQVLPZFV-UHFFFAOYSA-N 0 3 373.526 2.594 50 0 FFAAHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2cccc(=O)[nH]2)c1 ZINC000426674051 514011955 /nfs/dbraw/zinc/01/19/55/514011955.db2.gz KSVSHOSTXOWFAY-GOSISDBHSA-N 0 3 369.465 2.637 50 0 FFAAHN Cc1ccc(-c2ccc(C(=O)NCCN3CCC[C@@H](CO)C3)cc2)c(C)n1 ZINC000426734212 514027694 /nfs/dbraw/zinc/02/76/94/514027694.db2.gz BBAZCTRQWVBVQZ-GOSISDBHSA-N 0 3 367.493 2.800 50 0 FFAAHN Cc1ccc(-c2ccc(C(=O)NCCN3CCC[C@H](CO)C3)cc2)c(C)n1 ZINC000426734213 514027834 /nfs/dbraw/zinc/02/78/34/514027834.db2.gz BBAZCTRQWVBVQZ-SFHVURJKSA-N 0 3 367.493 2.800 50 0 FFAAHN CCN(CCN1CCCC1)C(=O)c1cccc(-c2ncc(F)c(OC)n2)c1 ZINC000584898959 518529306 /nfs/dbraw/zinc/52/93/06/518529306.db2.gz JSDFAKZYXJWZNE-UHFFFAOYSA-N 0 3 372.444 2.849 50 0 FFAAHN COc1nc(-c2cccc(C(=O)N3CC[C@@H]4CC[C@H](C3)N4C)c2)ncc1F ZINC000584902459 518531066 /nfs/dbraw/zinc/53/10/66/518531066.db2.gz UWMLBNVSVYEOBW-JKSUJKDBSA-N 0 3 370.428 2.600 50 0 FFAAHN CO[C@@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2c(C)noc2C2CC2)C1 ZINC000626499264 522235671 /nfs/dbraw/zinc/23/56/71/522235671.db2.gz IPKZHSZVVMVVPY-OWCLPIDISA-N 0 3 362.474 2.966 50 0 FFAAHN Cc1ccc([C@H]2CN(C(=O)[C@H]3CC[C@@H](O)CC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000244794599 526022732 /nfs/dbraw/zinc/02/27/32/526022732.db2.gz QPVCEVORGOWSMG-PVIWCNJMSA-N 0 3 368.521 2.935 50 0 FFAAHN c1cn(Cc2nnc(C3CCN(Cc4ccncc4)CC3)n2C2CC2)cn1 ZINC000091425754 526537118 /nfs/dbraw/zinc/53/71/18/526537118.db2.gz RVYIGGZFFDQRIY-UHFFFAOYSA-N 0 3 363.469 2.632 50 0 FFAAHN Cn1c(CN2CCCCCC2)nnc1C1CCN(Cc2ccccn2)CC1 ZINC000091594251 527053605 /nfs/dbraw/zinc/05/36/05/527053605.db2.gz BYCCIMFCGYIMQP-UHFFFAOYSA-N 0 3 368.529 2.966 50 0 FFAAHN c1cnn(-c2ccc(CNCc3c[nH]nc3-c3ccc4c(c3)OCO4)cn2)c1 ZINC000048710727 570959079 /nfs/dbraw/zinc/95/90/79/570959079.db2.gz JITHTTBWMCZKQH-UHFFFAOYSA-N 0 3 374.404 2.676 50 0 FFAAHN Cc1nccn1CCCCN1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000084290830 571081774 /nfs/dbraw/zinc/08/17/74/571081774.db2.gz WAMDDHXIIQHNSA-UHFFFAOYSA-N 0 3 358.461 2.959 50 0 FFAAHN O=C(Cc1[nH]nc2ccccc21)N[C@H]1CCCN(Cc2cccs2)C1 ZINC000670440770 571348548 /nfs/dbraw/zinc/34/85/48/571348548.db2.gz CHVSXGSEPPKGKN-AWEZNQCLSA-N 0 3 354.479 2.948 50 0 FFAAHN Cc1nccc(-c2ccccc2)c1C(=O)NCCN1CCCC[C@H]1CO ZINC000670455882 571354188 /nfs/dbraw/zinc/35/41/88/571354188.db2.gz WRDWXUWFSKTIOP-SFHVURJKSA-N 0 3 353.466 2.634 50 0 FFAAHN O=C(CSc1ccncc1)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012431038 727813795 /nfs/dbraw/zinc/81/37/95/727813795.db2.gz LQQVJQIGUHCVKK-SFHVURJKSA-N 0 3 355.507 2.997 50 0 FFAAHN COCC[N@H+](C)Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[n-]2)cc1 ZINC000048306492 1032098873 /nfs/dbraw/zinc/09/88/73/1032098873.db2.gz HCGDBZOUUXQRDP-UHFFFAOYSA-N 0 3 350.422 2.577 50 0 FFAAHN COCC[N@@H+](C)Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[n-]2)cc1 ZINC000048306492 1032098884 /nfs/dbraw/zinc/09/88/84/1032098884.db2.gz HCGDBZOUUXQRDP-UHFFFAOYSA-N 0 3 350.422 2.577 50 0 FFAAHN COc1ccccc1-c1ccc(C(=O)NCCN2CCC[C@H](CO)C2)cc1 ZINC000828711197 999579546 /nfs/dbraw/zinc/57/95/46/999579546.db2.gz PPUMEHJBNYCDNG-KRWDZBQOSA-N 0 3 368.477 2.796 50 0 FFAAHN c1cn(-c2ccccc2CNCc2cnc(NC[C@H]3CCCO3)nc2)cn1 ZINC000952960452 1011012082 /nfs/dbraw/zinc/01/20/82/1011012082.db2.gz YPUGULYKLPVFGP-GOSISDBHSA-N 0 3 364.453 2.543 50 0 FFAAHN Cc1nc(CN2CCn3nc(CN4CCC[C@@H]4C)cc3C2)c2ccccn12 ZINC000072158938 1019832808 /nfs/dbraw/zinc/83/28/08/1019832808.db2.gz DWLMEWBXYZBFSG-INIZCTEOSA-N 0 3 364.497 2.839 50 0 FFAAHN CN(CCc1ccccc1)Cc1cc2n(n1)CCCN(C[C@@H]1CCOC1)C2 ZINC000072166314 1019836896 /nfs/dbraw/zinc/83/68/96/1019836896.db2.gz LTXRBEKFEVCBRE-FQEVSTJZSA-N 0 3 368.525 2.800 50 0 FFAAHN CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccccc1)CC2 ZINC000014959647 1021730632 /nfs/dbraw/zinc/73/06/32/1021730632.db2.gz CREJPOFPELLSMK-GOSISDBHSA-N 0 3 355.486 2.560 50 0 FFAAHN CCC(C)(C)N1CCN(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)CC1 ZINC000654508547 1025090507 /nfs/dbraw/zinc/09/05/07/1025090507.db2.gz OUYDUERQGKVKCD-MRXNPFEDSA-N 0 3 370.501 2.844 50 0 FFAAHN Cc1ccc(C)c(CN2CCCN(C(=O)CCCN3CCCC3=O)CC2)c1 ZINC001529146179 1062186986 /nfs/dbraw/zinc/18/69/86/1062186986.db2.gz WTXFQLRZQWYNJR-UHFFFAOYSA-N 0 3 371.525 2.740 50 0 FFAAHN CN(C)[C@H](CNC(=O)C(=O)NC1CCCC1)c1cccc2ccccc21 ZINC000010333448 204011218 /nfs/dbraw/zinc/01/12/18/204011218.db2.gz IIOGZIGUWACMEX-LJQANCHMSA-N 0 3 353.466 2.618 50 0 FFAAHN COc1ccc([C@H](CNC(=O)c2ccc(OC)c(OC)c2)N(C)C)cc1 ZINC000002665034 204051081 /nfs/dbraw/zinc/05/10/81/204051081.db2.gz BXUDIZCEGLOSOV-KRWDZBQOSA-N 0 3 358.438 2.745 50 0 FFAAHN CC[C@@H](C)[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C(=O)OC ZINC000005157632 204194164 /nfs/dbraw/zinc/19/41/64/204194164.db2.gz FIKUABFGRMXMCJ-QAPCUYQASA-N 0 3 361.486 2.538 50 0 FFAAHN O[C@H](CNC[C@@H]1COc2ccccc2O1)CO[C@H]1CCCc2ccccc21 ZINC000005936017 204230980 /nfs/dbraw/zinc/23/09/80/204230980.db2.gz JLOBBNWYXHGHLJ-GGPKGHCWSA-N 0 3 369.461 2.871 50 0 FFAAHN CN(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccccc1 ZINC000006542888 204251739 /nfs/dbraw/zinc/25/17/39/204251739.db2.gz HRAXEXKPCYJWMX-IRXDYDNUSA-N 0 3 371.506 2.772 50 0 FFAAHN O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(CN2CCCC2)c1 ZINC000009688522 204377931 /nfs/dbraw/zinc/37/79/31/204377931.db2.gz FXSVUJMTMNSVRF-UHFFFAOYSA-N 0 3 351.406 2.829 50 0 FFAAHN O=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000012717655 204486041 /nfs/dbraw/zinc/48/60/41/204486041.db2.gz BSRDYKUDHMDTAL-QGZVFWFLSA-N 0 3 354.454 2.695 50 0 FFAAHN COCCN1C(=O)C(CC(=O)Nc2ccccc2)n2c3ccccc3nc21 ZINC000032071443 204923670 /nfs/dbraw/zinc/92/36/70/204923670.db2.gz OILFSCPDLZMDDF-QGZVFWFLSA-N 0 3 364.405 2.599 50 0 FFAAHN COCCCN(Cc1ccccc1F)C[C@@H](O)COCc1ccco1 ZINC000036030890 205002392 /nfs/dbraw/zinc/00/23/92/205002392.db2.gz CXPVDEYYJLZHCD-QGZVFWFLSA-N 0 3 351.418 2.835 50 0 FFAAHN COc1cccc(CN(C[C@H](O)COC(C)(C)C)C[C@@H]2CCCO2)c1 ZINC000036100300 205004676 /nfs/dbraw/zinc/00/46/76/205004676.db2.gz XAGUPTFYZWMLEZ-HKUYNNGSSA-N 0 3 351.487 2.852 50 0 FFAAHN Cc1ccc(-n2cccn2)c(CN2CCN(C3CCCC3)[C@H](CCO)C2)c1 ZINC000039387725 205044569 /nfs/dbraw/zinc/04/45/69/205044569.db2.gz VJZFBJABFOELGF-OAQYLSRUSA-N 0 3 368.525 2.992 50 0 FFAAHN CC1CCN(CCNC(=O)c2cccc(I)c2)CC1 ZINC000040108059 205056472 /nfs/dbraw/zinc/05/64/72/205056472.db2.gz IRLIHXOYSVGPAS-UHFFFAOYSA-N 0 3 372.250 2.753 50 0 FFAAHN O[C@@H](CN1CCCN(Cc2cccs2)CC1)c1ccc2c(c1)OCO2 ZINC000048278326 205154682 /nfs/dbraw/zinc/15/46/82/205154682.db2.gz OWGFHCFLTHVPTH-KRWDZBQOSA-N 0 3 360.479 2.718 50 0 FFAAHN COCCC[N@H+](C)Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[n-]2)cc1 ZINC000048306483 205156346 /nfs/dbraw/zinc/15/63/46/205156346.db2.gz RCMRJFKJXMHINV-UHFFFAOYSA-N 0 3 364.449 2.967 50 0 FFAAHN COCCC[N@@H+](C)Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[n-]2)cc1 ZINC000048306483 205156350 /nfs/dbraw/zinc/15/63/50/205156350.db2.gz RCMRJFKJXMHINV-UHFFFAOYSA-N 0 3 364.449 2.967 50 0 FFAAHN Cc1noc2nc(C)cc(C(=O)NC[C@@H](Cc3ccccc3)N(C)C)c12 ZINC000054463129 205200861 /nfs/dbraw/zinc/20/08/61/205200861.db2.gz NOHXVZNXATZAJR-MRXNPFEDSA-N 0 3 352.438 2.742 50 0 FFAAHN COc1ccccc1CN(C(=O)CC[C@H](C)N1CCN(C)CC1)C1CC1 ZINC000055166065 205209983 /nfs/dbraw/zinc/20/99/83/205209983.db2.gz YDEMLMBRMZXXKQ-KRWDZBQOSA-N 0 3 359.514 2.602 50 0 FFAAHN O=C(NCc1nnc2n1CCCC2)c1ccc(CN2CCCCC2)cc1 ZINC000053902535 205196170 /nfs/dbraw/zinc/19/61/70/205196170.db2.gz GFEALKMEZVCNFT-UHFFFAOYSA-N 0 3 353.470 2.530 50 0 FFAAHN O=C(CCN1CCC(NC(=O)c2cccs2)CC1)Nc1ccccc1 ZINC000058244125 205265149 /nfs/dbraw/zinc/26/51/49/205265149.db2.gz BJVRBBHDCXNGAN-UHFFFAOYSA-N 0 3 357.479 2.971 50 0 FFAAHN C[C@H](CNC(=O)NC[C@H]1CCN(c2ccccc2)C1)N1CCC(C)CC1 ZINC000058406592 205274706 /nfs/dbraw/zinc/27/47/06/205274706.db2.gz XBGGRBWCXTYQNX-RTBURBONSA-N 0 3 358.530 2.933 50 0 FFAAHN O=C(CCNC(=O)c1ccoc1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000058004057 205247419 /nfs/dbraw/zinc/24/74/19/205247419.db2.gz SRWJZAYDHZIBJK-LJQANCHMSA-N 0 3 369.465 2.570 50 0 FFAAHN Cc1ccc(C(=O)Nc2cccc(NC(=O)C[C@@H]3CNCCO3)c2)cc1 ZINC000063881564 205296324 /nfs/dbraw/zinc/29/63/24/205296324.db2.gz LHQQIVJDZIMGEU-GOSISDBHSA-N 0 3 353.422 2.564 50 0 FFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2cncnc2)nc1 ZINC000065177920 205321551 /nfs/dbraw/zinc/32/15/51/205321551.db2.gz PEYFUXCMCPYFKG-UHFFFAOYSA-N 0 3 373.460 2.933 50 0 FFAAHN C[C@H](Cc1ccccn1)N(C)Cc1cccc(C(=O)Nc2ncn(C)n2)c1 ZINC000065425219 205349983 /nfs/dbraw/zinc/34/99/83/205349983.db2.gz LECXNOZNABJQDK-OAHLLOKOSA-N 0 3 364.453 2.525 50 0 FFAAHN COc1ccc(OC)c([C@@H]2CCN(CCC(=O)Nc3nccs3)C2)c1 ZINC000065526099 205357264 /nfs/dbraw/zinc/35/72/64/205357264.db2.gz BZECRYIOSBVGEI-CYBMUJFWSA-N 0 3 361.467 2.978 50 0 FFAAHN CCNc1cc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)nc(C)n1 ZINC000065363401 205338872 /nfs/dbraw/zinc/33/88/72/205338872.db2.gz JLYYODUGFWIKJF-UHFFFAOYSA-N 0 3 358.421 2.710 50 0 FFAAHN CCn1c(CC2CCN(C/C=C/c3ccc(F)cc3)CC2)nn(C)c1=O ZINC000065393730 205345619 /nfs/dbraw/zinc/34/56/19/205345619.db2.gz WJFLVLXZFABNSW-SNAWJCMRSA-N 0 3 358.461 2.709 50 0 FFAAHN CNC(=O)[C@@H]1CCN(Cc2ccc(C(=O)Nc3cc(F)ccc3C)cc2)C1 ZINC000065405201 205347531 /nfs/dbraw/zinc/34/75/31/205347531.db2.gz SGBSEJLDYSIHNK-QGZVFWFLSA-N 0 3 369.440 2.954 50 0 FFAAHN CN1CCC(Cc2noc(-c3ccc(-n4cnnc4)cc3Cl)n2)CC1 ZINC000067676088 205381923 /nfs/dbraw/zinc/38/19/23/205381923.db2.gz IZOBHHGEIOVKMY-UHFFFAOYSA-N 0 3 358.833 2.855 50 0 FFAAHN O=c1cc([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)nc[n-]1 ZINC000067790498 205392360 /nfs/dbraw/zinc/39/23/60/205392360.db2.gz FAKCLADJIQZWNG-CQSZACIVSA-N 0 3 353.401 2.679 50 0 FFAAHN O=c1cc([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)nc[n-]1 ZINC000067790498 205392363 /nfs/dbraw/zinc/39/23/63/205392363.db2.gz FAKCLADJIQZWNG-CQSZACIVSA-N 0 3 353.401 2.679 50 0 FFAAHN CN1CCN(CCc2cccc(F)c2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091997322 205708453 /nfs/dbraw/zinc/70/84/53/205708453.db2.gz MVIFNEPMZBOCBT-QFIPXVFZSA-N 0 3 373.516 2.777 50 0 FFAAHN O=C1NCCN(Cc2cc(CN3CCCC3)cs2)[C@H]1Cc1ccccc1 ZINC000215305555 206346060 /nfs/dbraw/zinc/34/60/60/206346060.db2.gz ZRVMGLMZNICYNJ-FQEVSTJZSA-N 0 3 369.534 2.887 50 0 FFAAHN CN(C)c1ccc(CN2CCC[C@H](c3nc(-c4cccnc4)no3)C2)cn1 ZINC000215907486 206351605 /nfs/dbraw/zinc/35/16/05/206351605.db2.gz JPASSGGTTUNBFP-KRWDZBQOSA-N 0 3 364.453 2.972 50 0 FFAAHN O=C(CN[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)N1CCNC(=O)C1 ZINC000329047130 258127937 /nfs/dbraw/zinc/12/79/37/258127937.db2.gz GBLQUORCWOLJAD-HUUCEWRRSA-N 0 3 369.387 2.730 50 0 FFAAHN O[C@H]1[C@H](N2CC=CCC2)c2ccccc2C12CCN(c1cnccn1)CC2 ZINC000082039657 132193465 /nfs/dbraw/zinc/19/34/65/132193465.db2.gz NVMITNDWTZHUMG-RTWAWAEBSA-N 0 3 362.477 2.692 50 0 FFAAHN Cc1nc2c(cnn2C)c(N2CCC(N3CCc4ccccc4C3)CC2)n1 ZINC000095388536 132210119 /nfs/dbraw/zinc/21/01/19/132210119.db2.gz AAXJIWYKKCIHHQ-UHFFFAOYSA-N 0 3 362.481 2.699 50 0 FFAAHN Cc1cc(C)c2nccc(N3CCC[C@@H](c4nccn4CC(N)=O)C3)c2c1 ZINC000095517320 132213629 /nfs/dbraw/zinc/21/36/29/132213629.db2.gz VBKHYBKZJJYCAR-MRXNPFEDSA-N 0 3 363.465 2.917 50 0 FFAAHN Cc1ccc2cc(CN3CCC[C@H]3C)c(N3CCN(CCO)CC3)nc2c1 ZINC000252479825 132292160 /nfs/dbraw/zinc/29/21/60/132292160.db2.gz BNHLQGHDLDQBSL-GOSISDBHSA-N 0 3 368.525 2.642 50 0 FFAAHN Cc1cc2ncn(C[C@@H](O)CN3CCN(c4ccccc4)CC3)c2cc1C ZINC000051086293 136124089 /nfs/dbraw/zinc/12/40/89/136124089.db2.gz MHYKRLFXGMHIGZ-FQEVSTJZSA-N 0 3 364.493 2.836 50 0 FFAAHN COC(=O)c1cc(-c2cccc(C(=O)N(C)C3CCN(C)CC3)c2)c[nH]1 ZINC000426503465 263610547 /nfs/dbraw/zinc/61/05/47/263610547.db2.gz UCQLCPFHNSVESP-UHFFFAOYSA-N 0 3 355.438 2.635 50 0 FFAAHN CCOC(=O)[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000225603428 509377418 /nfs/dbraw/zinc/37/74/18/509377418.db2.gz DJJSWRXPOBMRJY-IJLUTSLNSA-N 0 3 371.275 2.953 50 0 FFAAHN O=C(c1ccncc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000000779849 506230859 /nfs/dbraw/zinc/23/08/59/506230859.db2.gz XBYRGJCDQYXUBJ-UHFFFAOYSA-N 0 3 364.493 2.504 50 0 FFAAHN CNC(=O)[C@@H]1C[C@@H](NCc2cccc(C(F)(F)F)c2)CN1CC(C)C ZINC000032520262 506262466 /nfs/dbraw/zinc/26/24/66/506262466.db2.gz HKUVJVMONJKPSH-CVEARBPZSA-N 0 3 357.420 2.640 50 0 FFAAHN CC(=O)CC(C)(C)NC(=O)CCN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000032853352 506303425 /nfs/dbraw/zinc/30/34/25/506303425.db2.gz JVEPLKCYUYOERV-KRWDZBQOSA-N 0 3 373.497 2.601 50 0 FFAAHN COc1ccc(Nc2nc(N3CCNCC3)nc3ccccc32)c(OC)c1 ZINC000004140381 506361315 /nfs/dbraw/zinc/36/13/15/506361315.db2.gz RUEPBSBZSRTGFK-UHFFFAOYSA-N 0 3 365.437 2.800 50 0 FFAAHN CCOc1cc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)ccc1OC ZINC000005010336 506414564 /nfs/dbraw/zinc/41/45/64/506414564.db2.gz JPNDSGAAMJXEKV-SJORKVTESA-N 0 3 354.450 2.875 50 0 FFAAHN O=C(CN1CCC[C@H]1c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000010090666 506726578 /nfs/dbraw/zinc/72/65/78/506726578.db2.gz UXMKZSUIGWQULG-IBGZPJMESA-N 0 3 350.466 2.567 50 0 FFAAHN O=C(CCN1CCCCCC1=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000014954681 507007487 /nfs/dbraw/zinc/00/74/87/507007487.db2.gz CAYAAKWRSIFZFR-FQEVSTJZSA-N 0 3 371.525 2.602 50 0 FFAAHN COC(=O)c1ccc(CN2CCc3nnc(-c4ccccc4)n3CC2)cc1 ZINC000014993174 507010016 /nfs/dbraw/zinc/01/00/16/507010016.db2.gz IOCDFDYSVYMQKP-UHFFFAOYSA-N 0 3 362.433 2.790 50 0 FFAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2cnccn2)C1 ZINC000014979376 507010155 /nfs/dbraw/zinc/01/01/55/507010155.db2.gz QTWJARCSZPOVGZ-QGZVFWFLSA-N 0 3 368.481 2.512 50 0 FFAAHN CN(Cc1ccccc1)C1(C(=O)N2CCC[C@@H](O)C2)Cc2ccccc2C1 ZINC000015070674 507015916 /nfs/dbraw/zinc/01/59/16/507015916.db2.gz HVNBONMRKDWVGR-OAQYLSRUSA-N 0 3 364.489 2.639 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N[C@@H](C)c3nccs3)cnn2c1 ZINC000067921255 507051470 /nfs/dbraw/zinc/05/14/70/507051470.db2.gz BXYLGDQJAJAMLY-LBPRGKRZSA-N 0 3 358.471 2.519 50 0 FFAAHN CCCN1CCN(c2ncc3c(n2)CCN(Cc2cccc(C)c2)C3)CC1 ZINC000015779541 507059603 /nfs/dbraw/zinc/05/96/03/507059603.db2.gz WJABRNBQXJIJKY-UHFFFAOYSA-N 0 3 365.525 2.875 50 0 FFAAHN CCN1CCC(NC(=O)[C@@H](C)Oc2ccccc2Br)CC1 ZINC000016603090 507097994 /nfs/dbraw/zinc/09/79/94/507097994.db2.gz GUOOJMLYAWUPEL-GFCCVEGCSA-N 0 3 355.276 2.817 50 0 FFAAHN CCN(CC)CCc1nnc(NC(=O)NCCc2ccc(C)o2)s1 ZINC000019111442 507155694 /nfs/dbraw/zinc/15/56/94/507155694.db2.gz SNGDKAQJKOIMMD-UHFFFAOYSA-N 0 3 351.476 2.688 50 0 FFAAHN C[C@@H](C1CCN(c2nncc(-c3ccc(F)cc3)n2)CC1)N1CCOCC1 ZINC000019535281 507176466 /nfs/dbraw/zinc/17/64/66/507176466.db2.gz XMUSWQDKACOTNO-HNNXBMFYSA-N 0 3 371.460 2.615 50 0 FFAAHN CCOc1ccc(N2C(=O)C[C@@H](NCCc3ccc(F)cc3)C2=O)cc1 ZINC000019533492 507176801 /nfs/dbraw/zinc/17/68/01/507176801.db2.gz WAOZUKVCJJZWQH-GOSISDBHSA-N 0 3 356.397 2.689 50 0 FFAAHN OCc1cn(CC2CCN(Cc3ccc4cc(Cl)ccc4n3)CC2)nn1 ZINC000019606476 507185650 /nfs/dbraw/zinc/18/56/50/507185650.db2.gz JVAPMBWFXDIUHG-UHFFFAOYSA-N 0 3 371.872 2.884 50 0 FFAAHN COc1ccc(N2C(=O)[C@@H](CN3CCN(C)CC3)[C@@H]2c2ccccc2)cc1 ZINC000020388055 507219740 /nfs/dbraw/zinc/21/97/40/507219740.db2.gz PDQXYGHDFRABEL-SFTDATJTSA-N 0 3 365.477 2.647 50 0 FFAAHN CN(C)[C@@H]1c2ccccc2C2(CCN(Cc3nn(C)cc3Cl)CC2)[C@H]1O ZINC000020543393 507225546 /nfs/dbraw/zinc/22/55/46/507225546.db2.gz SZGXWWNXTKQGKL-MOPGFXCFSA-N 0 3 374.916 2.585 50 0 FFAAHN Cc1cccc(CN2CCN(CCCc3ccccc3)C[C@@H]2CCO)n1 ZINC000022851620 507314592 /nfs/dbraw/zinc/31/45/92/507314592.db2.gz ICBPZTDGQCWJBF-QFIPXVFZSA-N 0 3 353.510 2.891 50 0 FFAAHN Cc1ccc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c1 ZINC000023128977 507331721 /nfs/dbraw/zinc/33/17/21/507331721.db2.gz FOPXUDOUFOSDCF-QGZVFWFLSA-N 0 3 369.513 2.786 50 0 FFAAHN Cc1ccc(-c2ccc(C(=O)N3CCC(n4cc(CN)nn4)CC3)cc2)o1 ZINC000023580754 507360769 /nfs/dbraw/zinc/36/07/69/507360769.db2.gz DZHZKSCBEFZPMX-UHFFFAOYSA-N 0 3 365.437 2.783 50 0 FFAAHN CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 ZINC000024986737 507456516 /nfs/dbraw/zinc/45/65/16/507456516.db2.gz VQNMZHKKUNZNML-GOSISDBHSA-N 0 3 367.449 2.830 50 0 FFAAHN Cc1c(C(=O)NC2CCC(C)CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000069536435 507511012 /nfs/dbraw/zinc/51/10/12/507511012.db2.gz FAFFCVHCJPOVHX-UHFFFAOYSA-N 0 3 367.497 2.872 50 0 FFAAHN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000069950911 507591597 /nfs/dbraw/zinc/59/15/97/507591597.db2.gz RYBPSYSKGMOLRV-INIZCTEOSA-N 0 3 353.422 2.704 50 0 FFAAHN CN1CCC(Oc2ccc(CNC(=O)COc3ccccc3)cc2)CC1 ZINC000071376333 507702573 /nfs/dbraw/zinc/70/25/73/507702573.db2.gz VOGKDIHSHDEKDI-UHFFFAOYSA-N 0 3 354.450 2.855 50 0 FFAAHN O=S1(=O)CC[C@H](Cn2ccnc2-c2cc(CN3CCCC3)cs2)C1 ZINC000071761271 507714679 /nfs/dbraw/zinc/71/46/79/507714679.db2.gz BRUAAIQLISVVGL-CQSZACIVSA-N 0 3 365.524 2.642 50 0 FFAAHN CC(C)C[C@H](CN(C)C)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000071917212 507725215 /nfs/dbraw/zinc/72/52/15/507725215.db2.gz DADNFNSFRQWLNQ-MRXNPFEDSA-N 0 3 355.523 2.726 50 0 FFAAHN Cc1cc2c(cc1C[NH+]1CCC(c3cc(=O)[n-]c(C)n3)CC1)OCCO2 ZINC000072148420 507757902 /nfs/dbraw/zinc/75/79/02/507757902.db2.gz VPVAMOCHSFIBBU-UHFFFAOYSA-N 0 3 355.438 2.950 50 0 FFAAHN O=c1oc2ccccc2n1CCN1CCC2(CC1)c1ccccc1C[C@@H]2O ZINC000072152667 507761869 /nfs/dbraw/zinc/76/18/69/507761869.db2.gz OGJXBBNZRZRAIV-FQEVSTJZSA-N 0 3 364.445 2.545 50 0 FFAAHN CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000072174484 507769961 /nfs/dbraw/zinc/76/99/61/507769961.db2.gz RIHYROJLWRJQRT-QGZVFWFLSA-N 0 3 353.470 2.809 50 0 FFAAHN OCC[C@@H]1CN(c2noc(-c3ccccc3)n2)CCN1C1CCCCC1 ZINC000072411153 507785644 /nfs/dbraw/zinc/78/56/44/507785644.db2.gz BIVNEDWDJIHPJZ-GOSISDBHSA-N 0 3 356.470 2.942 50 0 FFAAHN Cc1cc2nc(-c3ccccc3)cc(NCCN3CCC[C@@H](CO)C3)n2n1 ZINC000072418546 507786360 /nfs/dbraw/zinc/78/63/60/507786360.db2.gz JLURPILCOHDFSC-QGZVFWFLSA-N 0 3 365.481 2.821 50 0 FFAAHN CSCCCN1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1 ZINC000072411949 507786396 /nfs/dbraw/zinc/78/63/96/507786396.db2.gz FVPSBUJKJISEHX-INIZCTEOSA-N 0 3 351.564 2.734 50 0 FFAAHN Cc1cc(C)c(CN2CCC3(CN(C)C(=O)O3)CC2)c(-n2cccn2)c1 ZINC000072457165 507793906 /nfs/dbraw/zinc/79/39/06/507793906.db2.gz WYMRKPUGZZOKRR-UHFFFAOYSA-N 0 3 354.454 2.906 50 0 FFAAHN CSCc1ccc(C(=O)N2CCC([C@H](C)N3CCOCC3)CC2)o1 ZINC000072476962 507796206 /nfs/dbraw/zinc/79/62/06/507796206.db2.gz YLTWRNDWTHCHQI-AWEZNQCLSA-N 0 3 352.500 2.716 50 0 FFAAHN Cn1ncc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)c1C1CC1 ZINC000072475574 507796431 /nfs/dbraw/zinc/79/64/31/507796431.db2.gz RWDONODJZFBWCY-OAQYLSRUSA-N 0 3 350.510 2.973 50 0 FFAAHN COc1ccc(CNC2CCN(C(=O)c3ccoc3)CC2)c(OC)c1OC ZINC000030668792 507812033 /nfs/dbraw/zinc/81/20/33/507812033.db2.gz HHGQDIMKHKZUPY-UHFFFAOYSA-N 0 3 374.437 2.700 50 0 FFAAHN CCCS(=O)(=O)N1CCC(NCc2cccc3c2OC(C)(C)C3)CC1 ZINC000078005808 507825823 /nfs/dbraw/zinc/82/58/23/507825823.db2.gz XDTPTPYHXVCSAS-UHFFFAOYSA-N 0 3 366.527 2.694 50 0 FFAAHN C[C@@H]1C[C@H](NCCS(=O)(=O)c2ccccc2)CN1Cc1ccccc1 ZINC000079100136 507932970 /nfs/dbraw/zinc/93/29/70/507932970.db2.gz HAXJBODUNAQNBR-MJGOQNOKSA-N 0 3 358.507 2.713 50 0 FFAAHN CC(=O)c1ccc(CN2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cc1 ZINC000091650536 507999917 /nfs/dbraw/zinc/99/99/17/507999917.db2.gz PUZIUEWQGVVZPQ-UHFFFAOYSA-N 0 3 371.525 2.655 50 0 FFAAHN C[C@@H](C(=O)N1CCCC1)N1CCC(c2nccn2Cc2cscn2)CC1 ZINC000091665444 508001054 /nfs/dbraw/zinc/00/10/54/508001054.db2.gz BGGSDJOFVYIFMQ-HNNXBMFYSA-N 0 3 373.526 2.578 50 0 FFAAHN Cc1cccc(-c2n[nH]cc2CN2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000093017543 508114682 /nfs/dbraw/zinc/11/46/82/508114682.db2.gz XCUOAVUNYCYREZ-GOSISDBHSA-N 0 3 354.498 2.929 50 0 FFAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000095371630 508179170 /nfs/dbraw/zinc/17/91/70/508179170.db2.gz XAVSGYFUPSZCLK-GOSISDBHSA-N 0 3 372.488 2.923 50 0 FFAAHN Cc1ncc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)c(C)n1 ZINC000095379521 508180576 /nfs/dbraw/zinc/18/05/76/508180576.db2.gz WJOXVBAEEVBNDI-RTBURBONSA-N 0 3 350.466 2.830 50 0 FFAAHN COc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)cc1C ZINC000095379351 508180805 /nfs/dbraw/zinc/18/08/05/508180805.db2.gz GBGKXUQRXOKNIO-GOSISDBHSA-N 0 3 370.497 2.782 50 0 FFAAHN CCN1CC[C@]2(CN(Cc3cc4ccccc4o3)CCN2C)CCC1=O ZINC000095384718 508182267 /nfs/dbraw/zinc/18/22/67/508182267.db2.gz GURAWIGVWPPOPE-NRFANRHFSA-N 0 3 355.482 2.951 50 0 FFAAHN O=C(CCC1CCN(Cc2cnc[nH]2)CC1)N1CCc2ccccc2C1 ZINC000095527803 508196448 /nfs/dbraw/zinc/19/64/48/508196448.db2.gz VVUIGGRAFNPDIF-UHFFFAOYSA-N 0 3 352.482 2.987 50 0 FFAAHN Cc1c(C(=O)O[C@@H](C)C(=O)NCC(F)(F)F)ccc2cnc(C3CC3)n21 ZINC000096004042 508202146 /nfs/dbraw/zinc/20/21/46/508202146.db2.gz MUHRSLPMUHYCKD-JTQLQIEISA-N 0 3 369.343 2.744 50 0 FFAAHN Cc1n[nH]c(CCC(=O)NCC(C)(C)N2CCc3ccccc3C2)c1C ZINC000096130889 508207414 /nfs/dbraw/zinc/20/74/14/508207414.db2.gz ZVNDMTNTUIRVDQ-UHFFFAOYSA-N 0 3 354.498 2.912 50 0 FFAAHN O=C(c1cn2cc(Cl)ccc2n1)N1CCC(N2CCSCC2)CC1 ZINC000097475093 508225056 /nfs/dbraw/zinc/22/50/56/508225056.db2.gz PRPWEAQCHKSHFX-UHFFFAOYSA-N 0 3 364.902 2.641 50 0 FFAAHN Cn1cccc(C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)c1=O ZINC000097546533 508225934 /nfs/dbraw/zinc/22/59/34/508225934.db2.gz OAQDSDSVXOXEBM-LJQANCHMSA-N 0 3 353.466 2.732 50 0 FFAAHN OC[C@@H]1CN(Cc2nccs2)CCC12CCN(Cc1ccncc1)CC2 ZINC000097578987 508226870 /nfs/dbraw/zinc/22/68/70/508226870.db2.gz QPMDLGLZBRYTJE-SFHVURJKSA-N 0 3 372.538 2.635 50 0 FFAAHN Cc1nccc(-c2ccccc2)c1C(=O)NCc1cc2n(n1)CCCNC2 ZINC000082156946 508227333 /nfs/dbraw/zinc/22/73/33/508227333.db2.gz BWTDTFJYEROZKO-UHFFFAOYSA-N 0 3 361.449 2.677 50 0 FFAAHN Cc1cc(-c2nn(C)c(Cl)c2CN2CCC[C@H](c3nc[nH]n3)C2)no1 ZINC000097772744 508229507 /nfs/dbraw/zinc/22/95/07/508229507.db2.gz LVCDXKVCTFMDDX-NSHDSACASA-N 0 3 361.837 2.535 50 0 FFAAHN COc1ccc(-c2c(C(=O)NCCN3CCCC3)nc3ccccn32)cc1 ZINC000097939324 508230410 /nfs/dbraw/zinc/23/04/10/508230410.db2.gz CMYOSFZDODMLFZ-UHFFFAOYSA-N 0 3 364.449 2.836 50 0 FFAAHN COc1cc2c(c(OC)c1OC)CCN(CCn1nc(C)cc1C)CC2 ZINC000084104736 508265515 /nfs/dbraw/zinc/26/55/15/508265515.db2.gz MPEIAJQRXWXNCE-UHFFFAOYSA-N 0 3 359.470 2.627 50 0 FFAAHN C[C@@H]1CN([C@@H](CNCc2cnn(C)c2)c2c(F)cccc2Cl)CCO1 ZINC000077434273 508315185 /nfs/dbraw/zinc/31/51/85/508315185.db2.gz GWIWVPZTIYKNHT-DYVFJYSZSA-N 0 3 366.868 2.764 50 0 FFAAHN O=C(CCCn1cccn1)N1CCCN(CCCc2ccccc2)CC1 ZINC000077490120 508323342 /nfs/dbraw/zinc/32/33/42/508323342.db2.gz NBYXSYBGBZGLAJ-UHFFFAOYSA-N 0 3 354.498 2.830 50 0 FFAAHN Clc1cc2c(cc1-c1nccn1[C@H]1COC[C@@H]1N1CCCC1)OCO2 ZINC000077505257 508325151 /nfs/dbraw/zinc/32/51/51/508325151.db2.gz WOJYJRGNSMHGCJ-GJZGRUSLSA-N 0 3 361.829 2.968 50 0 FFAAHN CC1CCC(N2CCN(C(=O)C[C@H]3c4ccccc4NC3=O)CC2)CC1 ZINC000115255105 508378310 /nfs/dbraw/zinc/37/83/10/508378310.db2.gz WGAUVTLEQPLPJX-HTWSVDAQSA-N 0 3 355.482 2.835 50 0 FFAAHN Cc1nn(Cc2ccccc2)c(C)c1CNC[C@@H]1CN(C2CC2)CCO1 ZINC000106379502 508400019 /nfs/dbraw/zinc/40/00/19/508400019.db2.gz QJNIDUOPUDMAMC-HXUWFJFHSA-N 0 3 354.498 2.501 50 0 FFAAHN COCc1nc(C)c(CNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)s1 ZINC000223713977 509345063 /nfs/dbraw/zinc/34/50/63/509345063.db2.gz QKLWDYPSKAJLBF-CQSZACIVSA-N 0 3 363.483 2.719 50 0 FFAAHN CCc1c(C(=O)NC[C@H]2CCCCN2C2CC2)cnn1-c1ccccn1 ZINC000225496042 509374846 /nfs/dbraw/zinc/37/48/46/509374846.db2.gz SVZRBVGRVLHYFV-MRXNPFEDSA-N 0 3 353.470 2.576 50 0 FFAAHN CN(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)nc1 ZINC000169792315 509662194 /nfs/dbraw/zinc/66/21/94/509662194.db2.gz GWRNNDJZKMUOSE-UHFFFAOYSA-N 0 3 353.466 2.869 50 0 FFAAHN Cc1nc([C@H]2C[C@H]([NH2+]C3CCN(C(=O)c4cccs4)CC3)C2)cc(=O)[n-]1 ZINC000253535312 509886673 /nfs/dbraw/zinc/88/66/73/509886673.db2.gz SJYGXMGHGYFVFS-CTYIDZIISA-N 0 3 372.494 2.693 50 0 FFAAHN CCOc1ccccc1CN1CCC2(C[C@H]3C(=O)N(CC)C(=O)N3C2)CC1 ZINC000257175146 509943593 /nfs/dbraw/zinc/94/35/93/509943593.db2.gz AIULVKWOGXVTLP-KRWDZBQOSA-N 0 3 371.481 2.724 50 0 FFAAHN CCc1nc(C2CCN([C@@H](C)c3nc(-c4cccnc4)no3)CC2)n[nH]1 ZINC000190663469 510268715 /nfs/dbraw/zinc/26/87/15/510268715.db2.gz WGGXTXNSXSXRGC-LBPRGKRZSA-N 0 3 353.430 2.753 50 0 FFAAHN CCc1n[nH]c(C2CCN([C@@H](C)c3nc(-c4cccnc4)no3)CC2)n1 ZINC000190663469 510268719 /nfs/dbraw/zinc/26/87/19/510268719.db2.gz WGGXTXNSXSXRGC-LBPRGKRZSA-N 0 3 353.430 2.753 50 0 FFAAHN CCc1nnc(C2CCN([C@@H](C)c3nc(-c4cccnc4)no3)CC2)[nH]1 ZINC000190663469 510268725 /nfs/dbraw/zinc/26/87/25/510268725.db2.gz WGGXTXNSXSXRGC-LBPRGKRZSA-N 0 3 353.430 2.753 50 0 FFAAHN CC[C@@H]1CCc2nc(NC(=O)NC3CCN(CCOC)CC3)sc2C1 ZINC000194472793 510382023 /nfs/dbraw/zinc/38/20/23/510382023.db2.gz YDRDNGQDIPCTRU-CYBMUJFWSA-N 0 3 366.531 2.890 50 0 FFAAHN CCc1ccccc1NC(=O)[C@H](C)N1CCN(CC2CCOCC2)CC1 ZINC000172428765 510724237 /nfs/dbraw/zinc/72/42/37/510724237.db2.gz GDJNMWICJHTXNY-KRWDZBQOSA-N 0 3 359.514 2.620 50 0 FFAAHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc(N2CCCC2)cc1 ZINC000299767355 511672724 /nfs/dbraw/zinc/67/27/24/511672724.db2.gz GGBCJAPWPLHVOP-FQEVSTJZSA-N 0 3 357.498 2.660 50 0 FFAAHN Cc1cc(-c2cccc(C(=O)N3CC[C@](O)(CN(C)C)C3)c2)ccc1F ZINC000299769712 511674472 /nfs/dbraw/zinc/67/44/72/511674472.db2.gz TZFHXAXKLAYIST-NRFANRHFSA-N 0 3 356.441 2.940 50 0 FFAAHN CCCn1cc(NC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)nn1 ZINC000299779644 511677590 /nfs/dbraw/zinc/67/75/90/511677590.db2.gz NTXSFOHINMMSMY-MSOLQXFVSA-N 0 3 368.485 2.816 50 0 FFAAHN CN1CCc2[nH]nc(C(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)c2C1 ZINC000299789107 511682382 /nfs/dbraw/zinc/68/23/82/511682382.db2.gz VYRJNFVQKNKGPM-ZDUSSCGKSA-N 0 3 365.437 2.559 50 0 FFAAHN CC(C)=CCN1CCC2(CC[C@@H](CNC(=O)Nc3ccc[nH]c3=O)O2)CC1 ZINC000299801950 511686096 /nfs/dbraw/zinc/68/60/96/511686096.db2.gz ZFKVMEXQLQWOPC-INIZCTEOSA-N 0 3 374.485 2.889 50 0 FFAAHN C[C@H](O)c1ccc(-c2ccc(C(=O)NCC3(O)CCN(C)CC3)cc2)cc1 ZINC000426379628 513922392 /nfs/dbraw/zinc/92/23/92/513922392.db2.gz FICSDWNXNRRDPN-INIZCTEOSA-N 0 3 368.477 2.593 50 0 FFAAHN O=C(NCCCOc1ccccc1)N1CCC(N2CCSCC2)CC1 ZINC000426433991 513939292 /nfs/dbraw/zinc/93/92/92/513939292.db2.gz GNRHDADHOGIAMI-UHFFFAOYSA-N 0 3 363.527 2.678 50 0 FFAAHN O=C(NCC(c1ccccc1)c1ccccc1)NC[C@H](O)CN1CCCC1 ZINC000426491043 513958461 /nfs/dbraw/zinc/95/84/61/513958461.db2.gz MFYSSJHBJFXZJS-FQEVSTJZSA-N 0 3 367.493 2.574 50 0 FFAAHN CN(C)[C@@H]1CCN(C(=O)c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)C1 ZINC000426514630 513965019 /nfs/dbraw/zinc/96/50/19/513965019.db2.gz JDOLYNBAZRXXJY-GOSISDBHSA-N 0 3 372.490 2.533 50 0 FFAAHN Cc1ccc(O)c(-c2ccc(C(=O)NC[C@@H](O)CN3CCCC3)cc2)c1 ZINC000426537751 513974573 /nfs/dbraw/zinc/97/45/73/513974573.db2.gz UUOUKMSEYWWARF-GOSISDBHSA-N 0 3 354.450 2.554 50 0 FFAAHN Cc1n[nH]c2c1CN(C(=O)NCCN1CC[C@H](c3ccccc3C)C1)CC2 ZINC000426641298 514003403 /nfs/dbraw/zinc/00/34/03/514003403.db2.gz AJVLFOIHTRUFOY-KRWDZBQOSA-N 0 3 367.497 2.584 50 0 FFAAHN CCc1cc(-c2cccc(C(=O)N3CC[C@@H](N(C)C)C3)c2)nc(N(C)C)n1 ZINC000426649704 514005522 /nfs/dbraw/zinc/00/55/22/514005522.db2.gz OZFIGHUOUHZXCT-GOSISDBHSA-N 0 3 367.497 2.548 50 0 FFAAHN O=C(NCCN1CCC[C@@H](CO)C1)N(Cc1ccccc1Cl)C1CC1 ZINC000426707157 514020431 /nfs/dbraw/zinc/02/04/31/514020431.db2.gz HDYCBOYTRMEWBK-OAHLLOKOSA-N 0 3 365.905 2.718 50 0 FFAAHN C[C@H](CNC(=O)c1cccc(-c2ccc(CC(N)=O)cc2)c1)N1CCCC1 ZINC000534581164 517950285 /nfs/dbraw/zinc/95/02/85/517950285.db2.gz IZIRJOPDQAZXFC-MRXNPFEDSA-N 0 3 365.477 2.596 50 0 FFAAHN CCN(CCc1nc2ccccc2[nH]1)C(=O)NCCN1CCC(C)CC1 ZINC000534675327 517996286 /nfs/dbraw/zinc/99/62/86/517996286.db2.gz QDPQVBGWJVDXLR-UHFFFAOYSA-N 0 3 357.502 2.869 50 0 FFAAHN O=C(Cc1c(F)cccc1Cl)NCC1CCN([C@@H]2CCOC2)CC1 ZINC000575608885 518233606 /nfs/dbraw/zinc/23/36/06/518233606.db2.gz WBXSCJHQQPMICH-CQSZACIVSA-N 0 3 354.853 2.639 50 0 FFAAHN Cc1cccc([C@@H](NC(=O)NCC2(O)CCN(C)CC2)c2ccccc2)c1 ZINC000584891104 518526060 /nfs/dbraw/zinc/52/60/60/518526060.db2.gz AXESBKDBCJSZMN-FQEVSTJZSA-N 0 3 367.493 2.840 50 0 FFAAHN COCCN1CCC[C@@H](CN(C)C(=O)NC2(c3ccccc3C)CC2)C1 ZINC000584897937 518529636 /nfs/dbraw/zinc/52/96/36/518529636.db2.gz RIRWZLWLIZNWNA-SFHVURJKSA-N 0 3 359.514 2.984 50 0 FFAAHN CCNc1ncc(C(=O)N(C)Cc2ccccc2CN2CCCC2)cn1 ZINC000091691521 520361964 /nfs/dbraw/zinc/36/19/64/520361964.db2.gz PXILOZRDOLEXCZ-UHFFFAOYSA-N 0 3 353.470 2.776 50 0 FFAAHN COCc1ncc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cn1 ZINC000091468408 523232806 /nfs/dbraw/zinc/23/28/06/523232806.db2.gz COTPTPLFPACVQP-AZUAARDMSA-N 0 3 352.482 2.719 50 0 FFAAHN CN(Cc1cnn(-c2ccccc2)c1)C(=O)CSCCN1CCCC1 ZINC000091604140 523508122 /nfs/dbraw/zinc/50/81/22/523508122.db2.gz WYPGFTXULYSSPU-UHFFFAOYSA-N 0 3 358.511 2.660 50 0 FFAAHN CN1CCC(N(Cc2ccncc2)C(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000091425709 523767794 /nfs/dbraw/zinc/76/77/94/523767794.db2.gz VILPSJMPJVKRJQ-LJQANCHMSA-N 0 3 365.477 2.756 50 0 FFAAHN COCCN1CCC(C(=O)N2CCC(Oc3cccc(F)c3)CC2)CC1 ZINC000082106653 523813152 /nfs/dbraw/zinc/81/31/52/523813152.db2.gz UUMWISBLCRTELQ-UHFFFAOYSA-N 0 3 364.461 2.554 50 0 FFAAHN Cc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)o1 ZINC000082087749 524451244 /nfs/dbraw/zinc/45/12/44/524451244.db2.gz LRIRRKAMPBGDNF-HXUWFJFHSA-N 0 3 356.470 2.758 50 0 FFAAHN Cc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)o1 ZINC000082087749 524451253 /nfs/dbraw/zinc/45/12/53/524451253.db2.gz LRIRRKAMPBGDNF-HXUWFJFHSA-N 0 3 356.470 2.758 50 0 FFAAHN Cc1cnccc1CN1CCC2(CCC(=O)N([C@H]3CC[C@H](O)CC3)C2)CC1 ZINC000244690929 526227621 /nfs/dbraw/zinc/22/76/21/526227621.db2.gz IZNILFNYWAIJOH-MXVIHJGJSA-N 0 3 371.525 2.898 50 0 FFAAHN O=C(NCCc1c[nH]cn1)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000020723435 526396969 /nfs/dbraw/zinc/39/69/69/526396969.db2.gz XPMXIPQSENSIOH-UHFFFAOYSA-N 0 3 360.461 2.790 50 0 FFAAHN O=C(NCCc1cnc[nH]1)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000020723435 526396975 /nfs/dbraw/zinc/39/69/75/526396975.db2.gz XPMXIPQSENSIOH-UHFFFAOYSA-N 0 3 360.461 2.790 50 0 FFAAHN c1cn(Cc2nnc(C3CCN(Cc4cccnc4)CC3)n2C2CC2)cn1 ZINC000091350749 526536754 /nfs/dbraw/zinc/53/67/54/526536754.db2.gz YRMPPFUBTOPKTB-UHFFFAOYSA-N 0 3 363.469 2.632 50 0 FFAAHN O=C(CN1CC[C@]2(C1)CCCN(CC1CCC1)C2=O)N1CCCCCC1 ZINC000091636745 526810638 /nfs/dbraw/zinc/81/06/38/526810638.db2.gz UADRXGUCBQGDTE-NRFANRHFSA-N 0 3 361.530 2.504 50 0 FFAAHN CN(Cc1ccccc1CN1CCCC1)S(=O)(=O)N1CCCCCC1 ZINC000670472307 571051027 /nfs/dbraw/zinc/05/10/27/571051027.db2.gz QASRTFKEEBOFOH-UHFFFAOYSA-N 0 3 365.543 2.835 50 0 FFAAHN CCn1cncc1CN1C[C@@H](c2cccc(OC)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072145474 571173001 /nfs/dbraw/zinc/17/30/01/571173001.db2.gz ZJYFHDZUMLHESB-BHDDXSALSA-N 0 3 366.509 2.974 50 0 FFAAHN CO[C@@H]1CN(C2CCN(C(=O)c3ccc(C)s3)CC2)C12CCOCC2 ZINC000581802458 845945397 /nfs/dbraw/zinc/94/53/97/845945397.db2.gz KNDXCVNKQBAYBW-QGZVFWFLSA-N 0 3 364.511 2.541 50 0 FFAAHN Cc1ccc(-c2n[nH]cc2CN2CCC(n3cc([C@@H](C)O)nn3)CC2)cc1 ZINC000019885601 970484211 /nfs/dbraw/zinc/48/42/11/970484211.db2.gz ZSJYCYOHMITTQC-OAHLLOKOSA-N 0 3 366.469 2.867 50 0 FFAAHN CC(C)CN1CCN(c2ncncc2-c2nc(-c3ccccc3)no2)CC1 ZINC000169775532 984961950 /nfs/dbraw/zinc/96/19/50/984961950.db2.gz LLVQVHJLIUWEDO-UHFFFAOYSA-N 0 3 364.453 2.972 50 0 FFAAHN O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CN1CCc2sccc2C1 ZINC000011840102 987496326 /nfs/dbraw/zinc/49/63/26/987496326.db2.gz WCVCZYNVUBIQCC-FQEVSTJZSA-N 0 3 374.481 2.799 50 0 FFAAHN CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(C)cc1)CC2)C(C)C ZINC000011869127 987629568 /nfs/dbraw/zinc/62/95/68/987629568.db2.gz OPWHWTOKZOYMJQ-HXUWFJFHSA-N 0 3 369.513 2.868 50 0 FFAAHN O=C(C[C@@H]1NC(=O)c2ccccc21)NC1CCN(Cc2cccs2)CC1 ZINC000827811613 999538688 /nfs/dbraw/zinc/53/86/88/999538688.db2.gz QYBRAZBCQHLUAE-SFHVURJKSA-N 0 3 369.490 2.704 50 0 FFAAHN O=C(N[C@@H]1CCCN(C2Cc3ccccc3C2)C1)c1onc2c1CCCC2 ZINC000828231292 999563151 /nfs/dbraw/zinc/56/31/51/999563151.db2.gz QRKLUFQOZJFLTI-QGZVFWFLSA-N 0 3 365.477 2.915 50 0 FFAAHN CCNC(=O)C[C@H]1CCCCN1Cc1cc(C)nc(N2CCCCC2)n1 ZINC000585081488 1008251317 /nfs/dbraw/zinc/25/13/17/1008251317.db2.gz XMRMJWVNPRNHKX-GOSISDBHSA-N 0 3 359.518 2.656 50 0 FFAAHN CCc1[nH]nc2c1CN(c1nc(-c3ccccc3)nc3c1CCNC3)CC2 ZINC000067786573 1019195996 /nfs/dbraw/zinc/19/59/96/1019195996.db2.gz KJNXIZUXLJNDAW-UHFFFAOYSA-N 0 3 360.465 2.638 50 0 FFAAHN CCc1n[nH]c2c1CN(c1nc(-c3ccccc3)nc3c1CCNC3)CC2 ZINC000067786573 1019196004 /nfs/dbraw/zinc/19/60/04/1019196004.db2.gz KJNXIZUXLJNDAW-UHFFFAOYSA-N 0 3 360.465 2.638 50 0 FFAAHN Cc1nc(-c2c(C)ncc3c2CCN(C(=O)CN2CCCCCC2)C3)no1 ZINC000020917814 1022618747 /nfs/dbraw/zinc/61/87/47/1022618747.db2.gz RZIFSSSVXWYHND-UHFFFAOYSA-N 0 3 369.469 2.509 50 0 FFAAHN CCOc1cc(CN2CCC[C@@H](c3[nH]ccc3C(=O)NC)C2)ccc1O ZINC000409420030 1033631549 /nfs/dbraw/zinc/63/15/49/1033631549.db2.gz UVBLAQRUMMHLPN-OAHLLOKOSA-N 0 3 357.454 2.858 50 0 FFAAHN O[C@@H]1CN(Cc2ccc(-c3ccccc3F)o2)C[C@H]1Cc1cnccn1 ZINC001529194575 1062216241 /nfs/dbraw/zinc/21/62/41/1062216241.db2.gz AHHGRPUHYYBMBW-AUUYWEPGSA-N 0 3 353.397 2.911 50 0 FFAAHN O[C@@H]1CN(Cc2ccc(-c3cc[nH]n3)s2)CCN(Cc2ccccc2)C1 ZINC000108266003 209285028 /nfs/dbraw/zinc/28/50/28/209285028.db2.gz LUAKRNONSBUVPW-KRWDZBQOSA-N 0 3 368.506 2.817 50 0 FFAAHN OCC[C@H]1CN(c2noc(-c3ccccc3)n2)CCN1C1CCCCC1 ZINC000106944466 209274191 /nfs/dbraw/zinc/27/41/91/209274191.db2.gz BIVNEDWDJIHPJZ-SFHVURJKSA-N 0 3 356.470 2.942 50 0 FFAAHN OCC[C@@H]1CN(c2nc3ccccc3o2)CCN1CCc1ccccc1 ZINC000107000006 209273496 /nfs/dbraw/zinc/27/34/96/209273496.db2.gz JUKQTFMKQPPDTR-GOSISDBHSA-N 0 3 351.450 2.944 50 0 FFAAHN CN1CCc2[nH]nc(C(=O)N(Cc3c(F)cccc3Cl)C3CC3)c2C1 ZINC000097574991 209187518 /nfs/dbraw/zinc/18/75/18/209187518.db2.gz MAFIDTKQZVEZQV-UHFFFAOYSA-N 0 3 362.836 2.995 50 0 FFAAHN O=C(c1ccc(CN2CCCC2)o1)N1CCN(C2CCSCC2)CC1 ZINC000097546708 209186136 /nfs/dbraw/zinc/18/61/36/209186136.db2.gz UPUGMMITPOBACS-UHFFFAOYSA-N 0 3 363.527 2.529 50 0 FFAAHN Cc1[nH]c(=O)c(C(=O)NCCN2CC[C@H](c3ccccc3)C2)c(C)c1Cl ZINC000097413381 209180278 /nfs/dbraw/zinc/18/02/78/209180278.db2.gz GVZRATNYNJATPM-INIZCTEOSA-N 0 3 373.884 2.864 50 0 FFAAHN Cc1ccc(CN(CCN(C)C)C(=O)c2cnc3ccnn3c2C)s1 ZINC000097173152 209174804 /nfs/dbraw/zinc/17/48/04/209174804.db2.gz NNIXFJUGMOZWSP-UHFFFAOYSA-N 0 3 357.483 2.612 50 0 FFAAHN CNC(=O)c1cccc(-c2ccccc2OC[C@@H](O)CN2CCCCC2)c1 ZINC000096140137 209120376 /nfs/dbraw/zinc/12/03/76/209120376.db2.gz KQQZXCWFNZLZFP-IBGZPJMESA-N 0 3 368.477 2.939 50 0 FFAAHN Cc1nc2c3cc4c(nc3sc2c(=O)n1CCN(C)C)CC(C)(C)OC4 ZINC000005244016 207089387 /nfs/dbraw/zinc/08/93/87/207089387.db2.gz XGYGMZJGPMLLLR-UHFFFAOYSA-N 0 3 372.494 2.728 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000006817618 207168721 /nfs/dbraw/zinc/16/87/21/207168721.db2.gz PFDCWDCECDHNEA-CYBMUJFWSA-N 0 3 356.495 2.907 50 0 FFAAHN CC(C)(C)NC(=O)COc1ccc(CNCc2ccc3c(c2)OCO3)cc1 ZINC000006882429 207175042 /nfs/dbraw/zinc/17/50/42/207175042.db2.gz YXGSRXQBVMLUIH-UHFFFAOYSA-N 0 3 370.449 2.999 50 0 FFAAHN CC(C)CS(=O)(=O)N1CCC(NCc2cnc(C(C)(C)C)s2)CC1 ZINC000181118842 251244606 /nfs/dbraw/zinc/24/46/06/251244606.db2.gz ZKYRMUWZQDOKGR-UHFFFAOYSA-N 0 3 373.588 2.980 50 0 FFAAHN CCn1cc(C(=O)NCCN(C(C)C)C(C)C)c(=O)c2ccc(C)nc21 ZINC000008268025 207226608 /nfs/dbraw/zinc/22/66/08/207226608.db2.gz WNHSZRLTIQSSGQ-UHFFFAOYSA-N 0 3 358.486 2.573 50 0 FFAAHN CCNC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2F)CN1Cc1ccccc1 ZINC000032565444 208032464 /nfs/dbraw/zinc/03/24/64/208032464.db2.gz JARYJVXXHCKPPP-QUCCMNQESA-N 0 3 373.447 2.834 50 0 FFAAHN COc1ccc(NC(=O)NC[C@H](CN(C)C)[C@H](O)c2ccccc2)cc1 ZINC000032912636 208055830 /nfs/dbraw/zinc/05/58/30/208055830.db2.gz GLYAEXXHNZLCCY-VQIMIIECSA-N 0 3 357.454 2.728 50 0 FFAAHN Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1cccc2c1CCN(C)C2 ZINC000069774269 208122438 /nfs/dbraw/zinc/12/24/38/208122438.db2.gz JSEMBCMXNXXZCC-UHFFFAOYSA-N 0 3 365.412 2.955 50 0 FFAAHN COc1cccc([C@@H](CNc2ncnc3c2cnn3C)N2CCCC2)c1 ZINC000040034713 208219948 /nfs/dbraw/zinc/21/99/48/208219948.db2.gz ITTDPGPXIZWMOQ-QGZVFWFLSA-N 0 3 352.442 2.621 50 0 FFAAHN C[C@@H](C1CCN(C(=O)c2cc3ccccc3cn2)CC1)N1CCOCC1 ZINC000072407943 208848532 /nfs/dbraw/zinc/84/85/32/208848532.db2.gz DJCZTSLKSWJYQL-INIZCTEOSA-N 0 3 353.466 2.808 50 0 FFAAHN O=C(NCCc1noc(C2CCCC2)n1)C1CCN(Cc2ccco2)CC1 ZINC000095369658 209033097 /nfs/dbraw/zinc/03/30/97/209033097.db2.gz FHLXSRMGHVKWKE-UHFFFAOYSA-N 0 3 372.469 2.891 50 0 FFAAHN O=C(CN1CCCCCC1=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095380237 209039911 /nfs/dbraw/zinc/03/99/11/209039911.db2.gz WRBIJRCPCBCUBB-WOJBJXKFSA-N 0 3 369.509 2.512 50 0 FFAAHN C[C@@H](C1CCN(C(=O)c2ccn(C(C)(C)C)c2)CC1)N1CCN(C)CC1 ZINC000095392286 209047080 /nfs/dbraw/zinc/04/70/80/209047080.db2.gz VMKNYCBDVZAUPL-KRWDZBQOSA-N 0 3 360.546 2.731 50 0 FFAAHN Cc1ccc([C@H](NCC(=O)NC2CCC3(CC2)OCCO3)C2CC2)cc1 ZINC000095462548 209053629 /nfs/dbraw/zinc/05/36/29/209053629.db2.gz GDJBZUUPOZATQE-FQEVSTJZSA-N 0 3 358.482 2.838 50 0 FFAAHN C[C@H](NC(=O)Nc1ccccc1OC1CCN(C)CC1)c1cnn(C)c1 ZINC000095498746 209061452 /nfs/dbraw/zinc/06/14/52/209061452.db2.gz WYWIWBLIWSCAGO-AWEZNQCLSA-N 0 3 357.458 2.776 50 0 FFAAHN Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000055407974 221069981 /nfs/dbraw/zinc/06/99/81/221069981.db2.gz GWJLTGJUKYBYOS-STQMWFEESA-N 0 3 359.499 2.759 50 0 FFAAHN Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000055407976 221069104 /nfs/dbraw/zinc/06/91/04/221069104.db2.gz GWJLTGJUKYBYOS-QWHCGFSZSA-N 0 3 359.499 2.759 50 0 FFAAHN N[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C[C@H]1c1ccccc1F ZINC000333221339 258256947 /nfs/dbraw/zinc/25/69/47/258256947.db2.gz AABDMUHFVFLQFK-KLQZVLMRSA-N 0 3 366.436 2.819 50 0 FFAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)[C@@H]1CCOC1 ZINC000058174800 136130740 /nfs/dbraw/zinc/13/07/40/136130740.db2.gz NEBZGJLQNHDMSV-LJQANCHMSA-N 0 3 365.477 2.984 50 0 FFAAHN O=S(=O)(NCC1CCN(c2ccncc2)CC1)c1ccccc1Cl ZINC000070922109 136138532 /nfs/dbraw/zinc/13/85/32/136138532.db2.gz RIOLMUIWHISHNS-UHFFFAOYSA-N 0 3 365.886 2.930 50 0 FFAAHN CC(C)c1cccc(N2CCC[C@@]3(CCC(=O)N(CCN(C)C)C3)C2)n1 ZINC000072418758 136145944 /nfs/dbraw/zinc/14/59/44/136145944.db2.gz DZNMIUPTHLBNIQ-OAQYLSRUSA-N 0 3 358.530 2.976 50 0 FFAAHN CN1CCCN(C(=O)Nc2cccc(C(=O)N3CCCCCC3)c2)CC1 ZINC000095522847 209073620 /nfs/dbraw/zinc/07/36/20/209073620.db2.gz PPTFPCSKFMKVGS-UHFFFAOYSA-N 0 3 358.486 2.872 50 0 FFAAHN CS[C@@H]1CN(C(=O)c2csc(-c3ccccn3)n2)C[C@@H]1N1CCCC1 ZINC000095939716 209086233 /nfs/dbraw/zinc/08/62/33/209086233.db2.gz LKAHFEIXBLTUCQ-JKSUJKDBSA-N 0 3 374.535 2.857 50 0 FFAAHN COc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000000920621 506240334 /nfs/dbraw/zinc/24/03/34/506240334.db2.gz ZDCCBZGWOMQIBV-IBGZPJMESA-N 0 3 363.417 2.641 50 0 FFAAHN O=C(NCc1ccncc1)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065255897 506275725 /nfs/dbraw/zinc/27/57/25/506275725.db2.gz CUBRHASYNVTUEG-FQEVSTJZSA-N 0 3 373.460 2.558 50 0 FFAAHN CCCN1CCN(CCNC(=O)c2cc3cn(C4CC4)cc3s2)CC1 ZINC000065285715 506283237 /nfs/dbraw/zinc/28/32/37/506283237.db2.gz MHOLTRZQXUWTNM-UHFFFAOYSA-N 0 3 360.527 2.795 50 0 FFAAHN Cc1nc(NCCNC(=O)c2ccccc2C(F)(F)F)cc(N(C)C)n1 ZINC000065364445 506288424 /nfs/dbraw/zinc/28/84/24/506288424.db2.gz GJWSCUKCSOYDNB-UHFFFAOYSA-N 0 3 367.375 2.712 50 0 FFAAHN CCNc1cc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc(C)n1 ZINC000065363060 506289401 /nfs/dbraw/zinc/28/94/01/506289401.db2.gz PDGVVDNWWRRWHT-UHFFFAOYSA-N 0 3 358.421 2.710 50 0 FFAAHN O=C(CCNCc1ccccc1-n1ccnc1)N1CCc2ccccc2C1 ZINC000065418630 506297189 /nfs/dbraw/zinc/29/71/89/506297189.db2.gz PDENACUWQGYLPE-UHFFFAOYSA-N 0 3 360.461 2.937 50 0 FFAAHN CCOC(=O)c1cccnc1N1CCN(C2Cc3ccccc3C2)CC1 ZINC000065435774 506298438 /nfs/dbraw/zinc/29/84/38/506298438.db2.gz KAHPDFKQXNVFQX-UHFFFAOYSA-N 0 3 351.450 2.548 50 0 FFAAHN CCn1ccc2ccc(CN3CCc4nc(C)n(C)c(=O)c4CC3)cc21 ZINC000065508730 506313372 /nfs/dbraw/zinc/31/33/72/506313372.db2.gz MOIJWWWOSJVFLM-UHFFFAOYSA-N 0 3 350.466 2.664 50 0 FFAAHN CN(C)CCSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1 ZINC000003439660 506330608 /nfs/dbraw/zinc/33/06/08/506330608.db2.gz ZVBRAFAPGFYNEY-UHFFFAOYSA-N 0 3 369.512 2.656 50 0 FFAAHN O[C@@H](CNCc1ccc2c(c1)OCO2)CO[C@H]1CCCc2ccccc21 ZINC000003430276 506331082 /nfs/dbraw/zinc/33/10/82/506331082.db2.gz ZLLGYPNWRMFMKE-HKUYNNGSSA-N 0 3 355.434 2.960 50 0 FFAAHN CCCN(CCC)CCNS(=O)(=O)c1ccc(OC)c2ncccc12 ZINC000003618276 506348468 /nfs/dbraw/zinc/34/84/68/506348468.db2.gz DNDAKSBUQLAITC-UHFFFAOYSA-N 0 3 365.499 2.644 50 0 FFAAHN CC(C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCN1CCC(C)CC1 ZINC000003895653 506352046 /nfs/dbraw/zinc/35/20/46/506352046.db2.gz LVKFWXXPDIXVIN-NKELODKYSA-N 0 3 365.562 2.802 50 0 FFAAHN O=C(CNC1(c2cccc(Br)c2)CCOCC1)NCC1CC1 ZINC000055055650 506666807 /nfs/dbraw/zinc/66/68/07/506666807.db2.gz KUKRUCMRSMEVLJ-UHFFFAOYSA-N 0 3 367.287 2.571 50 0 FFAAHN CCCCNC(=O)CNC1(c2cccc(Br)c2)CCOCC1 ZINC000055055544 506667994 /nfs/dbraw/zinc/66/79/94/506667994.db2.gz NBVYPBQSMOEEEI-UHFFFAOYSA-N 0 3 369.303 2.961 50 0 FFAAHN CCc1c(C)nn(CCNC(=O)[C@H]2CCCN(Cc3ccco3)C2)c1C ZINC000055108725 506678784 /nfs/dbraw/zinc/67/87/84/506678784.db2.gz VKVNVTTXPKUXBM-KRWDZBQOSA-N 0 3 358.486 2.684 50 0 FFAAHN COc1cc(CNCCNC(=O)c2cccnc2)ccc1OCC=C(C)C ZINC000055119556 506682089 /nfs/dbraw/zinc/68/20/89/506682089.db2.gz OOPGDCBCVIYMBD-UHFFFAOYSA-N 0 3 369.465 2.955 50 0 FFAAHN O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000055153590 506687224 /nfs/dbraw/zinc/68/72/24/506687224.db2.gz CGUCLBICDOCNHX-ZBFHGGJFSA-N 0 3 364.424 2.997 50 0 FFAAHN CCC(=O)c1ccc(OCC(=O)N2CCCN(c3ccncc3)CC2)cc1 ZINC000055253624 506710286 /nfs/dbraw/zinc/71/02/86/506710286.db2.gz HNSRDEWVERMZDB-UHFFFAOYSA-N 0 3 367.449 2.792 50 0 FFAAHN CNS(=O)(=O)c1ccc(CN(C)CCCOc2ccc(F)cc2)cc1 ZINC000055576019 506784711 /nfs/dbraw/zinc/78/47/11/506784711.db2.gz QRVOKPKUSHPFEH-UHFFFAOYSA-N 0 3 366.458 2.635 50 0 FFAAHN COC(=O)c1c2c(sc1[N-]C(=O)c1ccno1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000012443804 506865983 /nfs/dbraw/zinc/86/59/83/506865983.db2.gz GSJDPBUWKSPIAX-UHFFFAOYSA-N 0 3 363.439 2.934 50 0 FFAAHN CCc1nnc(SCC(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)o1 ZINC000012594092 506882169 /nfs/dbraw/zinc/88/21/69/506882169.db2.gz HDHGGEATKRWAQH-INIZCTEOSA-N 0 3 374.510 2.847 50 0 FFAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1ccnn1C ZINC000012745339 506894432 /nfs/dbraw/zinc/89/44/32/506894432.db2.gz OXEYIVBJOZYWRN-UHFFFAOYSA-N 0 3 358.461 2.586 50 0 FFAAHN CSCC[C@@H]1NC(=S)N(Cc2ccccc2CN2CCCC2)C1=O ZINC000012997375 506923290 /nfs/dbraw/zinc/92/32/90/506923290.db2.gz ICGMPPVOOYCQPO-INIZCTEOSA-N 0 3 363.552 2.621 50 0 FFAAHN Cc1ccc(C(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1C ZINC000067621062 506954253 /nfs/dbraw/zinc/95/42/53/506954253.db2.gz HJEBCNZJIFBYJX-UHFFFAOYSA-N 0 3 353.470 2.844 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)NC3(c4ccccc4)CC3)cnn2c1 ZINC000067725005 506991127 /nfs/dbraw/zinc/99/11/27/506991127.db2.gz QKDQJLSQJNVYEU-UHFFFAOYSA-N 0 3 363.465 2.990 50 0 FFAAHN CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1ccco1)C2 ZINC000014533601 506994568 /nfs/dbraw/zinc/99/45/68/506994568.db2.gz MCOIAOGVGWJAQE-OAHLLOKOSA-N 0 3 356.470 2.769 50 0 FFAAHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc(F)cc1 ZINC000018223079 507147107 /nfs/dbraw/zinc/14/71/07/507147107.db2.gz ODGWHMQJJIYBFW-GOSISDBHSA-N 0 3 351.381 2.771 50 0 FFAAHN Cc1nc2ccccc2nc1CN1CCN(C2CCCC2)[C@@H](CCO)C1 ZINC000019227377 507158959 /nfs/dbraw/zinc/15/89/59/507158959.db2.gz CRVYXDMABLEHEE-SFHVURJKSA-N 0 3 354.498 2.749 50 0 FFAAHN CCOc1ccccc1NC(=O)CC1C(=O)N=C2Nc3ccccc3N21 ZINC000020102392 507210736 /nfs/dbraw/zinc/21/07/36/507210736.db2.gz CHKWZYDWJRTDIK-OAHLLOKOSA-N 0 3 350.378 2.611 50 0 FFAAHN CC(C)N1CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)C[C@@H]1CCO ZINC000020109898 507211929 /nfs/dbraw/zinc/21/19/29/507211929.db2.gz CDMMRHXWIHNPHL-QHCPKHFHSA-N 0 3 371.569 2.921 50 0 FFAAHN COc1ccccc1[C@@H](CNc1cc(C)nc2ncnn21)N1CCCC1 ZINC000057584466 507290456 /nfs/dbraw/zinc/29/04/56/507290456.db2.gz BKKCPNUOCXPDAA-MRXNPFEDSA-N 0 3 352.442 2.690 50 0 FFAAHN CCc1nnc2ccc(NC3CCN(CCc4ccccc4)CC3)nn21 ZINC000068665239 507292777 /nfs/dbraw/zinc/29/27/77/507292777.db2.gz SZLGRYVTSVQPOE-UHFFFAOYSA-N 0 3 350.470 2.806 50 0 FFAAHN O=C(CN1CCN(C2CCCCC2)CC1)Nc1cccc2nsnc21 ZINC000022752050 507306725 /nfs/dbraw/zinc/30/67/25/507306725.db2.gz KZMDCJLXVKLHGX-UHFFFAOYSA-N 0 3 359.499 2.580 50 0 FFAAHN c1sc(-c2ncccn2)nc1CNC1CCN(Cc2ccccn2)CC1 ZINC000058099919 507371251 /nfs/dbraw/zinc/37/12/51/507371251.db2.gz VZIWFVXOLIUDPO-UHFFFAOYSA-N 0 3 366.494 2.749 50 0 FFAAHN Cc1nn(C)c2nc(C)cc(C(=O)NC[C@H](c3ccccc3)N(C)C)c12 ZINC000024352271 507405970 /nfs/dbraw/zinc/40/59/70/507405970.db2.gz NIAHBSVKPVGDHJ-QGZVFWFLSA-N 0 3 351.454 2.618 50 0 FFAAHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(SC(F)(F)F)cc1 ZINC000058393309 507411080 /nfs/dbraw/zinc/41/10/80/507411080.db2.gz SUZZUOMXVZVGER-OLZOCXBDSA-N 0 3 360.401 2.892 50 0 FFAAHN O=C(NCCN1CCCCC1)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000058406703 507415272 /nfs/dbraw/zinc/41/52/72/507415272.db2.gz VSOWTCSRYLUWDR-MRXNPFEDSA-N 0 3 364.921 2.951 50 0 FFAAHN CCc1[nH]c(C(=O)NC[C@H](c2ccccc2)N(C)C)c(C)c1C(=O)OC ZINC000025712304 507525637 /nfs/dbraw/zinc/52/56/37/507525637.db2.gz IJRLMVQPQJKLOE-MRXNPFEDSA-N 0 3 357.454 2.705 50 0 FFAAHN C[C@H](OC[C@@H]1CCCO1)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000069920540 507584494 /nfs/dbraw/zinc/58/44/94/507584494.db2.gz UPTWBXKKHIEQIT-BBWFWOEESA-N 0 3 366.527 2.660 50 0 FFAAHN O=C(CCCc1cn[nH]c1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071523829 507706574 /nfs/dbraw/zinc/70/65/74/507706574.db2.gz UMNVCVPSARWRMA-KSEOMHKRSA-N 0 3 364.493 2.821 50 0 FFAAHN O=C(c1ccc(CO)cc1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071551687 507706869 /nfs/dbraw/zinc/70/68/69/507706869.db2.gz BPMHMXKOCDUAHD-YPAWHYETSA-N 0 3 362.473 2.881 50 0 FFAAHN CN(C)c1ncc(-c2nccn2C2CCN(Cc3ccccn3)CC2)cn1 ZINC000071681470 507708759 /nfs/dbraw/zinc/70/87/59/507708759.db2.gz RDFUPCVTSGIDFC-UHFFFAOYSA-N 0 3 363.469 2.638 50 0 FFAAHN C[C@@H](NC(=O)C1CCC1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000071874786 507722260 /nfs/dbraw/zinc/72/22/60/507722260.db2.gz ROKLBLOENMHCNL-MRXNPFEDSA-N 0 3 357.498 2.594 50 0 FFAAHN Cc1n[nH]c(C)c1CCCNc1nc(-c2ccccn2)nc2c1CCNC2 ZINC000072122461 507751405 /nfs/dbraw/zinc/75/14/05/507751405.db2.gz DUZPXOKLYRZBRV-UHFFFAOYSA-N 0 3 363.469 2.569 50 0 FFAAHN Cc1cc(-n2cccn2)ccc1C[N@H+]1CCC[C@@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000072164517 507767428 /nfs/dbraw/zinc/76/74/28/507767428.db2.gz MXXOAJHAUYFWCZ-GOSISDBHSA-N 0 3 363.465 2.952 50 0 FFAAHN Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCC[C@@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000072164517 507767429 /nfs/dbraw/zinc/76/74/29/507767429.db2.gz MXXOAJHAUYFWCZ-GOSISDBHSA-N 0 3 363.465 2.952 50 0 FFAAHN COC(=O)c1n[nH]cc1CN1CCC[C@@H](c2nc3cccc(C)c3[nH]2)C1 ZINC000072172906 507770086 /nfs/dbraw/zinc/77/00/86/507770086.db2.gz ZNCLMYUKSHSGKI-CYBMUJFWSA-N 0 3 353.426 2.761 50 0 FFAAHN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCCN(C)Cc1ccccc1 ZINC000072309551 507774300 /nfs/dbraw/zinc/77/43/00/507774300.db2.gz OUUDKKKQNBFGBW-INIZCTEOSA-N 0 3 363.502 2.738 50 0 FFAAHN c1cn(C[C@H]2CCN(c3ccccc3)C2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072419355 507787194 /nfs/dbraw/zinc/78/71/94/507787194.db2.gz YKPBHFMYRIHQFG-KRWDZBQOSA-N 0 3 362.481 2.766 50 0 FFAAHN Cc1cc(C(=O)NC[C@@H]2CCN(Cc3sccc3C)C[C@H]2O)c(C)o1 ZINC000072432990 507790615 /nfs/dbraw/zinc/79/06/15/507790615.db2.gz HAPKEETYXWKMMT-DOTOQJQBSA-N 0 3 362.495 2.879 50 0 FFAAHN c1cn(CCc2cnn(-c3ccccc3)c2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072434433 507791293 /nfs/dbraw/zinc/79/12/93/507791293.db2.gz UMZWWWZHUSYTEN-UHFFFAOYSA-N 0 3 373.464 2.668 50 0 FFAAHN OC[C@H]1CCCCN1CCNc1cc(-c2ccc(F)cc2)nc2ccnn21 ZINC000072479542 507797776 /nfs/dbraw/zinc/79/77/76/507797776.db2.gz FEUFLOFLACUMOO-QGZVFWFLSA-N 0 3 369.444 2.794 50 0 FFAAHN Cc1ccccc1CN1CCCN(CC(=O)NCCc2ccccc2)CC1 ZINC000030153703 507802860 /nfs/dbraw/zinc/80/28/60/507802860.db2.gz ASGYZEMABWRTLW-UHFFFAOYSA-N 0 3 365.521 2.862 50 0 FFAAHN CCc1nc(C)sc1CN1CCN(C)[C@@]2(C1)CCC(=O)N(CC)CC2 ZINC000091440340 507985554 /nfs/dbraw/zinc/98/55/54/507985554.db2.gz LZYWAALOILWUOZ-IBGZPJMESA-N 0 3 364.559 2.533 50 0 FFAAHN CN1CCN(Cc2csc(-c3ccccc3)n2)C[C@]12CCNC(=O)CC2 ZINC000091504510 507989836 /nfs/dbraw/zinc/98/98/36/507989836.db2.gz HYIILYATLWZEBM-FQEVSTJZSA-N 0 3 370.522 2.596 50 0 FFAAHN CN1CCN([C@H]2CCN(c3nc4ccccc4s3)C[C@H]2CCCO)CC1 ZINC000091650949 507999739 /nfs/dbraw/zinc/99/97/39/507999739.db2.gz XWUUWKZKVCSOKS-AEFFLSMTSA-N 0 3 374.554 2.511 50 0 FFAAHN CCN1CC[C@]2(CN(Cc3ccccc3SC)CCN2C)CCC1=O ZINC000091819479 508015569 /nfs/dbraw/zinc/01/55/69/508015569.db2.gz CUUGCSUMTSABAE-FQEVSTJZSA-N 0 3 361.555 2.927 50 0 FFAAHN COc1nc(C)cc(C)c1CNC(=O)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095518775 508194053 /nfs/dbraw/zinc/19/40/53/508194053.db2.gz SRNRUVNUNNLLNY-INIZCTEOSA-N 0 3 357.454 2.828 50 0 FFAAHN Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000082091409 508224935 /nfs/dbraw/zinc/22/49/35/508224935.db2.gz ZRLVTULPJCYINQ-PZJWPPBQSA-N 0 3 368.525 2.649 50 0 FFAAHN Cn1cc(CCC(=O)N2CCCN(CCCc3ccccc3)CC2)cn1 ZINC000077298111 508297205 /nfs/dbraw/zinc/29/72/05/508297205.db2.gz ZNRTZNAPOJJPLF-UHFFFAOYSA-N 0 3 354.498 2.520 50 0 FFAAHN O=C(N[C@@H]1CCN(Cc2cc3ccccc3s2)C[C@H]1O)c1ccncc1 ZINC000077454818 508318394 /nfs/dbraw/zinc/31/83/94/508318394.db2.gz FODCYWCJLVMKLQ-QZTJIDSGSA-N 0 3 367.474 2.662 50 0 FFAAHN C[C@H]1CCCCN1CCNC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000106529777 508401562 /nfs/dbraw/zinc/40/15/62/508401562.db2.gz VMJDGBBNKQICRN-DLBZAZTESA-N 0 3 362.493 2.826 50 0 FFAAHN COc1[nH]c2cn(C(C)C)c(=O)c-2cc1CN1CCC(c2cc[nH]n2)CC1 ZINC000215152024 509244024 /nfs/dbraw/zinc/24/40/24/509244024.db2.gz FYODLJMFWKUEOP-UHFFFAOYSA-N 0 3 369.469 2.557 50 0 FFAAHN CCc1c(C)nn(CC(=O)NCC2(c3ccccc3)CCN(C)CC2)c1C ZINC000219070775 509283733 /nfs/dbraw/zinc/28/37/33/509283733.db2.gz GEKRTNDSUCBNNB-UHFFFAOYSA-N 0 3 368.525 2.842 50 0 FFAAHN Cc1ccc([C@H](NC(=O)CN(C)C2CCN(C)CC2)c2ccncc2)cc1 ZINC000221327330 509307018 /nfs/dbraw/zinc/30/70/18/509307018.db2.gz GTNLZHVMSIYLGN-QFIPXVFZSA-N 0 3 366.509 2.622 50 0 FFAAHN O=S1(=O)CCC[C@@H](NCc2cccc(Cn3cnc4ccccc43)c2)C1 ZINC000182669019 509361355 /nfs/dbraw/zinc/36/13/55/509361355.db2.gz VUYUDPDLFWCEPO-GOSISDBHSA-N 0 3 369.490 2.751 50 0 FFAAHN O=C(NC1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1)C1CC1 ZINC000179913694 509671669 /nfs/dbraw/zinc/67/16/69/509671669.db2.gz FNJJRBLSQMJLFQ-FQEVSTJZSA-N 0 3 358.482 2.735 50 0 FFAAHN CCN1CCC[C@H](NC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)C1 ZINC000252458401 509836619 /nfs/dbraw/zinc/83/66/19/509836619.db2.gz FKTSDRWPQUKSPJ-WBVHZDCISA-N 0 3 364.921 2.950 50 0 FFAAHN CN1CCC(CNC(=O)c2ccc3c(c2)OCO3)(c2ccccc2)CC1 ZINC000252484858 509840909 /nfs/dbraw/zinc/84/09/09/509840909.db2.gz GJPMAXDHUONZMI-UHFFFAOYSA-N 0 3 352.434 2.809 50 0 FFAAHN COCCN(C)c1ccc(CN[C@H]2CCN(c3ccccc3OC)C2)cn1 ZINC000252491861 509842035 /nfs/dbraw/zinc/84/20/35/509842035.db2.gz LXPATZAQKJZNCV-SFHVURJKSA-N 0 3 370.497 2.541 50 0 FFAAHN NCc1cccc(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)c1 ZINC000241588124 509843938 /nfs/dbraw/zinc/84/39/38/509843938.db2.gz OZWFXDMMJORGSO-UHFFFAOYSA-N 0 3 360.417 2.723 50 0 FFAAHN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000252527795 509849726 /nfs/dbraw/zinc/84/97/26/509849726.db2.gz DJJSWRXPOBMRJY-UTUOFQBUSA-N 0 3 371.275 2.953 50 0 FFAAHN O=C(C1CC1)N1CCC(N[C@H](c2ccc(F)cc2F)[C@H]2C[C@@H](O)C2)CC1 ZINC000244748706 509869567 /nfs/dbraw/zinc/86/95/67/509869567.db2.gz OMXMXSGJHROAAA-CRFBAAHOSA-N 0 3 364.436 2.767 50 0 FFAAHN O=C(CCN1CCC(Oc2ncccn2)CC1)Nc1ccc(F)c(F)c1 ZINC000244874737 509875310 /nfs/dbraw/zinc/87/53/10/509875310.db2.gz XGJCYJWZEQSWIK-UHFFFAOYSA-N 0 3 362.380 2.627 50 0 FFAAHN CC[C@H]1CCc2nc(NC(=O)NC3CCN(CCOC)CC3)sc2C1 ZINC000194472806 510382432 /nfs/dbraw/zinc/38/24/32/510382432.db2.gz YDRDNGQDIPCTRU-ZDUSSCGKSA-N 0 3 366.531 2.890 50 0 FFAAHN CCOC(=O)c1coc(-c2ccc(NC(=O)N3CC[C@@H](N(C)C)C3)cc2)n1 ZINC000299758102 511669966 /nfs/dbraw/zinc/66/99/66/511669966.db2.gz BTTVRHLVNFVMQO-OAHLLOKOSA-N 0 3 372.425 2.686 50 0 FFAAHN Cn1nc(CNC(=O)CSCCN2CCCC2)c2c1cccc2Cl ZINC000299791106 511682737 /nfs/dbraw/zinc/68/27/37/511682737.db2.gz CMKLQYZBVXNMIN-UHFFFAOYSA-N 0 3 366.918 2.672 50 0 FFAAHN Cn1cnnc1SCC(=O)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000299797039 511683515 /nfs/dbraw/zinc/68/35/15/511683515.db2.gz OYCTYYAKRQWGJR-QGZVFWFLSA-N 0 3 373.526 2.641 50 0 FFAAHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1c[nH]nc1-c1ccccc1F ZINC000299794159 511684015 /nfs/dbraw/zinc/68/40/15/511684015.db2.gz IHGKIOAHXFKVBI-OAHLLOKOSA-N 0 3 372.444 2.589 50 0 FFAAHN COc1ccc([C@@H](CN(C)C)NCc2c(C)nc3sc(C)nn23)cc1 ZINC000285316330 512075177 /nfs/dbraw/zinc/07/51/77/512075177.db2.gz WRPVRTAIQMRYLT-MRXNPFEDSA-N 0 3 359.499 2.809 50 0 FFAAHN O=C(CN1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2)NC1CC1 ZINC000426379661 513922013 /nfs/dbraw/zinc/92/20/13/513922013.db2.gz JJJKDTVHHXJGBP-HXUWFJFHSA-N 0 3 363.452 2.531 50 0 FFAAHN Cc1nccn1CCCSc1nnc([C@@H](N)Cc2ccccc2)n1C ZINC000426395120 513927036 /nfs/dbraw/zinc/92/70/36/513927036.db2.gz FCPDMFPSHMXLNX-INIZCTEOSA-N 0 3 356.499 2.745 50 0 FFAAHN CCN1CCC[C@H]1CSc1nnc(CNC)n1-c1cccc(OC)c1 ZINC000426422941 513936295 /nfs/dbraw/zinc/93/62/95/513936295.db2.gz NTNDMMRIFDXCGS-HNNXBMFYSA-N 0 3 361.515 2.572 50 0 FFAAHN COc1cccc(CN2CCC[C@@]3(CCN(c4cc(C)nc(N)n4)C3)C2)c1 ZINC000426495545 513959238 /nfs/dbraw/zinc/95/92/38/513959238.db2.gz AQUVNVFFWNONLK-OAQYLSRUSA-N 0 3 367.497 2.868 50 0 FFAAHN COc1cccc(CN2CCC[C@]3(CCN(c4cc(C)nc(N)n4)C3)C2)c1 ZINC000426495544 513959592 /nfs/dbraw/zinc/95/95/92/513959592.db2.gz AQUVNVFFWNONLK-NRFANRHFSA-N 0 3 367.497 2.868 50 0 FFAAHN CN1CCC(N(CCc2ccccc2)C(=O)NCCc2cccnc2)CC1 ZINC000426502864 513962192 /nfs/dbraw/zinc/96/21/92/513962192.db2.gz ICGUZKXOZJOWRA-UHFFFAOYSA-N 0 3 366.509 2.973 50 0 FFAAHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(-c2cncc(N)c2)c1 ZINC000426544413 513975289 /nfs/dbraw/zinc/97/52/89/513975289.db2.gz PKVSIUNWHPWDGH-FQEVSTJZSA-N 0 3 368.481 2.514 50 0 FFAAHN CCN1CCN(c2ccccc2CNc2ccc(C(N)=O)c(F)c2)CC1 ZINC000461220111 514543843 /nfs/dbraw/zinc/54/38/43/514543843.db2.gz RYGSGKLPWXOATQ-UHFFFAOYSA-N 0 3 356.445 2.679 50 0 FFAAHN O=C(NCCNc1ccncc1)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000530262099 517665049 /nfs/dbraw/zinc/66/50/49/517665049.db2.gz LEHFBLRAHOFGRE-QWHCGFSZSA-N 0 3 366.284 2.659 50 0 FFAAHN CNS(=O)(=O)c1cccc([C@H](C)NC[C@@H]2CCC3(CCCC3)O2)c1 ZINC000530411468 517760811 /nfs/dbraw/zinc/76/08/11/517760811.db2.gz RLYDTWVOUFHVKE-HOCLYGCPSA-N 0 3 352.500 2.737 50 0 FFAAHN Cc1ccccc1[C@H](NC(=O)NCC1(O)CCN(C)CC1)c1ccccc1 ZINC000584891831 518526832 /nfs/dbraw/zinc/52/68/32/518526832.db2.gz ZIOJUFRSALGHCN-HXUWFJFHSA-N 0 3 367.493 2.840 50 0 FFAAHN CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@H]1Cc1ccccc1 ZINC000239672642 521281658 /nfs/dbraw/zinc/28/16/58/521281658.db2.gz BUKGYQIVDFZTHW-RBUKOAKNSA-N 0 3 358.482 2.638 50 0 FFAAHN CCc1noc(C)c1C(=O)N[C@H]1CN(CCCSC)C[C@@H]1C1CC1 ZINC000091475989 522832642 /nfs/dbraw/zinc/83/26/42/522832642.db2.gz XKWWJACPSRMAHH-ZBFHGGJFSA-N 0 3 351.516 2.739 50 0 FFAAHN CCc1c(C)nn(CC(=O)N[C@H]2CCCN(Cc3cccnc3)CC2)c1C ZINC000082166847 523714538 /nfs/dbraw/zinc/71/45/38/523714538.db2.gz GWEATPHRQHAFJK-IBGZPJMESA-N 0 3 369.513 2.628 50 0 FFAAHN CN1CCC[C@H](NC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)C1 ZINC000252467319 523841976 /nfs/dbraw/zinc/84/19/76/523841976.db2.gz CGIVYEHECPJJMJ-ZBFHGGJFSA-N 0 3 350.894 2.560 50 0 FFAAHN COc1ccc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)cc1C ZINC000082170901 524029949 /nfs/dbraw/zinc/02/99/49/524029949.db2.gz GDPHLGDBQDWVDM-NRFANRHFSA-N 0 3 360.498 2.591 50 0 FFAAHN Cc1ccnc(C[C@H](C)N(C)Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)c1 ZINC000091603609 525659938 /nfs/dbraw/zinc/65/99/38/525659938.db2.gz FRRZBCAFPCRDBS-AWEZNQCLSA-N 0 3 364.449 2.806 50 0 FFAAHN Cc1cnc(CN2C[C@]3(CCCN(Cc4ccccn4)C3)CCC2=O)cn1 ZINC000091444604 526029266 /nfs/dbraw/zinc/02/92/66/526029266.db2.gz SVQZYWUMUKGYKE-OAQYLSRUSA-N 0 3 365.481 2.585 50 0 FFAAHN CSc1nnc(CC2CCN(Cc3cccc4nonc43)CC2)n1C ZINC000082120389 526226711 /nfs/dbraw/zinc/22/67/11/526226711.db2.gz VNXJNPAAGUZUBN-UHFFFAOYSA-N 0 3 358.471 2.528 50 0 FFAAHN O=C(CN1CCCCCCC1)N1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 ZINC000091650164 526740108 /nfs/dbraw/zinc/74/01/08/526740108.db2.gz SUZFCZWZZBNEQE-LEWJYISDSA-N 0 3 370.541 2.771 50 0 FFAAHN Clc1cc(CN2CCCN(C[C@H]3CCCO3)CC2)cc2c1OCCO2 ZINC000252458649 526925685 /nfs/dbraw/zinc/92/56/85/526925685.db2.gz ZCZQGZDGQLWWNQ-MRXNPFEDSA-N 0 3 366.889 2.798 50 0 FFAAHN O=C(N[C@H](CO)CN1CCCC1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000390832696 526996335 /nfs/dbraw/zinc/99/63/35/526996335.db2.gz FZMCGEICFLFJND-CFVMTHIKSA-N 0 3 357.281 2.670 50 0 FFAAHN OCC[C@@H]1CN(Cc2cccn2-c2ccccn2)CCN1C1CCCC1 ZINC000019885590 527566992 /nfs/dbraw/zinc/56/69/92/527566992.db2.gz MTDDTEIOSISFOK-HXUWFJFHSA-N 0 3 354.498 2.684 50 0 FFAAHN CCn1cc(-c2cc(C(F)(F)F)nc(N3CCN4CCC[C@@H]4C3)n2)cn1 ZINC000036613972 536011454 /nfs/dbraw/zinc/01/14/54/536011454.db2.gz CUWPHDATILZTED-CYBMUJFWSA-N 0 3 366.391 2.663 50 0 FFAAHN Cc1nccn1CCCC(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 ZINC000072146217 571173445 /nfs/dbraw/zinc/17/34/45/571173445.db2.gz XDZAFVKOCHPKPC-OAQYLSRUSA-N 0 3 366.509 2.673 50 0 FFAAHN Cc1nc([C@H]2CCCN(Cc3cnc(-c4ccco4)nc3)C2)cc(=O)[nH]1 ZINC000072146079 571173483 /nfs/dbraw/zinc/17/34/83/571173483.db2.gz KYIDRQDAGXULIE-HNNXBMFYSA-N 0 3 351.410 2.508 50 0 FFAAHN O=C(CSC12CC3CC(CC(C3)C1)C2)NCCCN1CCC[C@@H](O)C1 ZINC000670437129 571347119 /nfs/dbraw/zinc/34/71/19/571347119.db2.gz OKLXDUZCKHODHE-ZCYBBYNQSA-N 0 3 366.571 2.651 50 0 FFAAHN CCOCCNC(=O)c1ccc(-c2cccc(N3CCNCC3)c2)cc1 ZINC000670444878 571350402 /nfs/dbraw/zinc/35/04/02/571350402.db2.gz PLMRSLUFMAWEPB-UHFFFAOYSA-N 0 3 353.466 2.530 50 0 FFAAHN CCN1CCCn2nc([C@@H]3CCCN(Cc4ccc(C)cn4)C3)cc2C1=O ZINC000675010808 971485651 /nfs/dbraw/zinc/48/56/51/971485651.db2.gz YAIPBLZINKTJNQ-QGZVFWFLSA-N 0 3 367.497 2.832 50 0 FFAAHN CCC[C@H]1CN(c2ncnc3cc(F)c(OC)cc32)CCN1CCOC ZINC000186276917 985847479 /nfs/dbraw/zinc/84/74/79/985847479.db2.gz DVSYDAMAUGJXDG-AWEZNQCLSA-N 0 3 362.449 2.715 50 0 FFAAHN CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)Cc2c(C)noc2C)C1 ZINC000012448174 989447855 /nfs/dbraw/zinc/44/78/55/989447855.db2.gz BKOOKNCYGRLVNV-SFHVURJKSA-N 0 3 356.470 2.742 50 0 FFAAHN Cc1cc(C)c(CNC(=O)N(Cc2ccncc2)C2CCN(C)CC2)cn1 ZINC000823759333 999075201 /nfs/dbraw/zinc/07/52/01/999075201.db2.gz NEUMFOXBQXXIRG-UHFFFAOYSA-N 0 3 367.497 2.899 50 0 FFAAHN CN(C)Cc1ccccc1CN(C)C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000952975445 1011019150 /nfs/dbraw/zinc/01/91/50/1011019150.db2.gz YRVDXBVNGBUDSG-UHFFFAOYSA-N 0 3 350.422 2.669 50 0 FFAAHN CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2nnc3ccccc3c2[O-])C1 ZINC000111633615 1011328570 /nfs/dbraw/zinc/32/85/70/1011328570.db2.gz QZACUKHLQBRPIJ-AWEZNQCLSA-N 0 3 356.470 2.554 50 0 FFAAHN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2nnc3ccccc3c2[O-])C1 ZINC000111633615 1011328584 /nfs/dbraw/zinc/32/85/84/1011328584.db2.gz QZACUKHLQBRPIJ-AWEZNQCLSA-N 0 3 356.470 2.554 50 0 FFAAHN CCC(C)(C)N1CCN(C(=O)Nc2cccc(N3CCNC3=O)c2C)CC1 ZINC000654051926 1025009058 /nfs/dbraw/zinc/00/90/58/1025009058.db2.gz FQEQOEDTFJBZQE-UHFFFAOYSA-N 0 3 373.501 2.863 50 0 FFAAHN CCOc1cc(CN2CCC[C@H](c3[nH]ccc3C(=O)NC)C2)ccc1O ZINC000409420029 1033631983 /nfs/dbraw/zinc/63/19/83/1033631983.db2.gz UVBLAQRUMMHLPN-HNNXBMFYSA-N 0 3 357.454 2.858 50 0 FFAAHN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000002654005 209396927 /nfs/dbraw/zinc/39/69/27/209396927.db2.gz GMHIXVKGQDMTQO-PMACEKPBSA-N 0 3 367.493 2.860 50 0 FFAAHN Cc1nn(Cc2ccccc2Cl)c(C)c1CNCC1(O)CCOCC1 ZINC000237673249 209353103 /nfs/dbraw/zinc/35/31/03/209353103.db2.gz ZBHXHOJAZYPBLO-UHFFFAOYSA-N 0 3 363.889 2.833 50 0 FFAAHN O=C1C[C@H]([C@H]2CCCCN2Cc2cc(Cl)c3c(c2)OCCCO3)CN1 ZINC000108365465 209285816 /nfs/dbraw/zinc/28/58/16/209285816.db2.gz IEBKDJLDBPOSPT-GOEBONIOSA-N 0 3 364.873 2.992 50 0 FFAAHN CC/C=C/CC(=O)N1CCC2(CCN(Cc3cccnc3)CC2)[C@H](CO)C1 ZINC000097743506 209195636 /nfs/dbraw/zinc/19/56/36/209195636.db2.gz VJHDEWZDHAIWOP-YADGQWAMSA-N 0 3 371.525 2.861 50 0 FFAAHN Cn1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)c1=O ZINC000097546532 209185018 /nfs/dbraw/zinc/18/50/18/209185018.db2.gz OAQDSDSVXOXEBM-IBGZPJMESA-N 0 3 353.466 2.732 50 0 FFAAHN CN1CCCCC[C@@H]1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000097334155 209178543 /nfs/dbraw/zinc/17/85/43/209178543.db2.gz GXZUBYIBFCQJJD-LJQANCHMSA-N 0 3 365.468 2.920 50 0 FFAAHN O=C(NC[C@@H]1C[C@H](F)CN1)Nc1ccc(OCCc2ccccn2)cc1 ZINC000097272393 209177527 /nfs/dbraw/zinc/17/75/27/209177527.db2.gz ZGDDONFMFNXVLK-YOEHRIQHSA-N 0 3 358.417 2.525 50 0 FFAAHN CNC(=O)[C@@H]1CCCC[C@H]1NCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000097102619 209171673 /nfs/dbraw/zinc/17/16/73/209171673.db2.gz ANZIPMJPVLJPKV-UKRRQHHQSA-N 0 3 351.878 2.790 50 0 FFAAHN COCC(=O)Nc1cccc(NC(=O)N(C)CCN2CCCC[C@H]2C)c1 ZINC000096165450 209130642 /nfs/dbraw/zinc/13/06/42/209130642.db2.gz CLQSTGJPDLWTPA-OAHLLOKOSA-N 0 3 362.474 2.610 50 0 FFAAHN CN1CCN(CCCNC(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 ZINC000096138264 209119618 /nfs/dbraw/zinc/11/96/18/209119618.db2.gz CBCWTLODCWRROX-UHFFFAOYSA-N 0 3 369.469 2.633 50 0 FFAAHN Cc1nc(CCSc2ccc3c(c2)OCCO3)n(C2CCN(C)CC2)n1 ZINC000096140600 209121254 /nfs/dbraw/zinc/12/12/54/209121254.db2.gz ATLSVKCFHYDKSB-UHFFFAOYSA-N 0 3 374.510 2.959 50 0 FFAAHN O=C1C[C@@H](NC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc2c(c1)OCO2 ZINC000004195740 207005956 /nfs/dbraw/zinc/00/59/56/207005956.db2.gz GPOJSKQHJASXNG-JISUQADQSA-N 0 3 368.433 2.606 50 0 FFAAHN COc1ccccc1N1C(=O)C[C@@H](NC23CC4CC(CC(C4)C2)C3)C1=O ZINC000004539421 207026065 /nfs/dbraw/zinc/02/60/65/207026065.db2.gz KJCDCLRQZGQAJE-HIHZZFLASA-N 0 3 354.450 2.886 50 0 FFAAHN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCN(C)C)cc1 ZINC000004803748 207049068 /nfs/dbraw/zinc/04/90/68/207049068.db2.gz KLRCGSYAGMCJBG-LGMDPLHJSA-N 0 3 357.479 2.505 50 0 FFAAHN CN(C)Cc1ccc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000006983939 207180820 /nfs/dbraw/zinc/18/08/20/207180820.db2.gz FBJJDHHZHXNGBL-UHFFFAOYSA-N 0 3 365.477 2.734 50 0 FFAAHN COC(=O)c1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000010451100 207300786 /nfs/dbraw/zinc/30/07/86/207300786.db2.gz ZHUDKQJQNWEHLC-UHFFFAOYSA-N 0 3 352.434 2.868 50 0 FFAAHN COc1ccc(CCN2C(=O)O[C@@H]3CN(C4CCSCC4)C[C@@H]32)cc1 ZINC000012053453 207335307 /nfs/dbraw/zinc/33/53/07/207335307.db2.gz UFJDUAUIQACLFG-ZWKOTPCHSA-N 0 3 362.495 2.638 50 0 FFAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)CCc1cn[nH]c1 ZINC000012057779 207335682 /nfs/dbraw/zinc/33/56/82/207335682.db2.gz JUHRREXLXKNUIO-UHFFFAOYSA-N 0 3 372.488 2.895 50 0 FFAAHN O=C(CC[C@@H]1CCCN(Cc2cccn2-c2ncccn2)C1)N1CCCC1 ZINC000012300308 207355223 /nfs/dbraw/zinc/35/52/23/207355223.db2.gz JPEUCDDFYUHJNI-SFHVURJKSA-N 0 3 367.497 2.882 50 0 FFAAHN CCc1nc(C)c(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)[nH]1 ZINC000012301735 207357076 /nfs/dbraw/zinc/35/70/76/207357076.db2.gz WYFLPNKAPXOAGS-QGZVFWFLSA-N 0 3 362.518 2.568 50 0 FFAAHN CCN1CCN([C@H](C)CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)CC1 ZINC000032594172 208031072 /nfs/dbraw/zinc/03/10/72/208031072.db2.gz GWMCXHWOEWPPEQ-QGZVFWFLSA-N 0 3 370.497 2.714 50 0 FFAAHN CCN1CCc2c(cccc2-n2nnc(C(=O)NCCC(C)C)c2C)C1 ZINC000069564952 208120290 /nfs/dbraw/zinc/12/02/90/208120290.db2.gz UJDJOYLLFMHDSD-UHFFFAOYSA-N 0 3 355.486 2.730 50 0 FFAAHN COCCN(Cc1ccc(OC)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036095187 208143199 /nfs/dbraw/zinc/14/31/99/208143199.db2.gz DPVIONVPRXYWNF-HXUWFJFHSA-N 0 3 359.466 2.721 50 0 FFAAHN CC(=O)Nc1ccc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)nc1 ZINC000040455660 208254656 /nfs/dbraw/zinc/25/46/56/208254656.db2.gz QQIKGUIYAIKIGK-UHFFFAOYSA-N 0 3 366.465 2.923 50 0 FFAAHN C[C@@H](CNC(=O)[C@]1(C)CCCCN1C(=O)OC(C)(C)C)N(C)C1CC1 ZINC000096004538 209095140 /nfs/dbraw/zinc/09/51/40/209095140.db2.gz GMBWOUYIVKRDED-LIRRHRJNSA-N 0 3 353.507 2.765 50 0 FFAAHN O=C1C[C@@H]([C@H]2CCCCN2Cc2cc(Cl)c3c(c2)OCCCO3)CN1 ZINC000095978924 209093413 /nfs/dbraw/zinc/09/34/13/209093413.db2.gz IEBKDJLDBPOSPT-GDBMZVCRSA-N 0 3 364.873 2.992 50 0 FFAAHN Cc1ccc(-c2ncc(C(=O)NC[C@@H](c3ccco3)N(C)C)c(O)n2)cc1 ZINC000091951097 209007051 /nfs/dbraw/zinc/00/70/51/209007051.db2.gz HAHZZLJMZUKSOS-INIZCTEOSA-N 0 3 366.421 2.783 50 0 FFAAHN Cc1cnc(CN2C[C@@]3(CCCN(Cc4cccnc4)C3)CCC2=O)cn1 ZINC000091952048 209008103 /nfs/dbraw/zinc/00/81/03/209008103.db2.gz UBABQUIEQJCLFF-NRFANRHFSA-N 0 3 365.481 2.585 50 0 FFAAHN CN1Cc2ccccc2C[C@H]1C(=O)NCCCc1nc2ccc(F)cc2[nH]1 ZINC000095379626 209040712 /nfs/dbraw/zinc/04/07/12/209040712.db2.gz VKGYDMCEIWBCRD-IBGZPJMESA-N 0 3 366.440 2.808 50 0 FFAAHN CC(=O)c1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)c1 ZINC000095387730 209043601 /nfs/dbraw/zinc/04/36/01/209043601.db2.gz KEMFBIXVXDALPH-OXJNMPFZSA-N 0 3 356.466 2.605 50 0 FFAAHN CCC1=NO[C@H](CNC(=O)Nc2ccccc2OC2CCN(C)CC2)C1 ZINC000095499797 209061660 /nfs/dbraw/zinc/06/16/60/209061660.db2.gz FMTSJDHQOSXFGM-INIZCTEOSA-N 0 3 360.458 2.836 50 0 FFAAHN CN(C)CCNC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000095460960 209053867 /nfs/dbraw/zinc/05/38/67/209053867.db2.gz POLFXTHJIMBTPQ-RUZDIDTESA-N 0 3 359.495 2.819 50 0 FFAAHN CN1CCC(N(Cc2ccco2)C(=O)c2cccc(-n3ccnc3)n2)CC1 ZINC000095465647 209055446 /nfs/dbraw/zinc/05/54/46/209055446.db2.gz IDNVYMZYZFXEIQ-UHFFFAOYSA-N 0 3 365.437 2.597 50 0 FFAAHN Cc1cccc(N2CCN(CCC(=O)NCc3nccn3C(C)C)CC2)c1 ZINC000095368509 132208384 /nfs/dbraw/zinc/20/83/84/132208384.db2.gz KXVYDVVYECLWBL-UHFFFAOYSA-N 0 3 369.513 2.601 50 0 FFAAHN CCCc1cc(N2CCC(NCc3cc(OC)ccn3)CC2)nc(C)n1 ZINC000096150030 132220634 /nfs/dbraw/zinc/22/06/34/132220634.db2.gz IBFNMIQVRSIOOY-UHFFFAOYSA-N 0 3 355.486 2.900 50 0 FFAAHN Cc1ccc(S[C@H](C)C(=O)N2CCN(c3cc(C)nc(N)n3)CC2)cc1 ZINC000299771484 132298840 /nfs/dbraw/zinc/29/88/40/132298840.db2.gz YUWZMMZGLGCTGK-OAHLLOKOSA-N 0 3 371.510 2.505 50 0 FFAAHN CC[C@H]1Oc2ccccc2N(CC(=O)NCCN2[C@H](C)CCC[C@@H]2C)C1=O ZINC000004078120 132386274 /nfs/dbraw/zinc/38/62/74/132386274.db2.gz MTUQHNGGEFFKKD-SOLBZPMBSA-N 0 3 373.497 2.570 50 0 FFAAHN COCCNC(=O)c1ccc(OC2CCN(C(C)C)CC2)c(Cl)c1 ZINC000095521180 209073134 /nfs/dbraw/zinc/07/31/34/209073134.db2.gz JQEHOCDZIFUFJJ-UHFFFAOYSA-N 0 3 354.878 2.968 50 0 FFAAHN O=C(C1CCN(c2ccncc2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033128971 136117467 /nfs/dbraw/zinc/11/74/67/136117467.db2.gz DHPNHXURAXXUOD-UHFFFAOYSA-N 0 3 368.456 2.786 50 0 FFAAHN Cc1cccc2[nH]c(C3CCN(c4nc(C)nc5c4CCNC5)CC3)nc21 ZINC000071747111 136140008 /nfs/dbraw/zinc/14/00/08/136140008.db2.gz WZAMOYFRUIINHI-UHFFFAOYSA-N 0 3 362.481 2.999 50 0 FFAAHN Cc1cccc2nc(C3CCN(c4nc(C)nc5c4CCNC5)CC3)[nH]c21 ZINC000071747111 136140009 /nfs/dbraw/zinc/14/00/09/136140009.db2.gz WZAMOYFRUIINHI-UHFFFAOYSA-N 0 3 362.481 2.999 50 0 FFAAHN CCCO[C@H]1CCCN(c2nc(-c3cccnc3)nc3c2CCNC3)C1 ZINC000071765446 136140880 /nfs/dbraw/zinc/14/08/80/136140880.db2.gz WSMZVPUWOPSRTI-INIZCTEOSA-N 0 3 353.470 2.580 50 0 FFAAHN Cc1nc(C(C)C)cc(N2CCC[C@@]3(CCC(=O)N(CCN(C)C)C3)C2)n1 ZINC000072423725 136146256 /nfs/dbraw/zinc/14/62/56/136146256.db2.gz FNUUJRXNIORBRZ-OAQYLSRUSA-N 0 3 373.545 2.679 50 0 FFAAHN Cc1nn(C)c2nc(NCC3(N4CCN(C)CC4)CCCCC3)sc12 ZINC000095528773 209078134 /nfs/dbraw/zinc/07/81/34/209078134.db2.gz SXRPMLRGGWJWSF-UHFFFAOYSA-N 0 3 362.547 2.700 50 0 FFAAHN Cc1nn(C)c(C)c1CC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000025463825 263388577 /nfs/dbraw/zinc/38/85/77/263388577.db2.gz BRNZPXGVXCXYLQ-UHFFFAOYSA-N 0 3 354.498 2.533 50 0 FFAAHN CN(C)CCNC(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000031465266 263391772 /nfs/dbraw/zinc/39/17/72/263391772.db2.gz BYOJWPHRTCFPPH-UHFFFAOYSA-N 0 3 364.449 2.641 50 0 FFAAHN COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC ZINC000000537874 506224668 /nfs/dbraw/zinc/22/46/68/506224668.db2.gz QQQIECGTIMUVDS-UHFFFAOYSA-N 0 3 358.438 2.574 50 0 world FFAAHN C[C@@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)NCCN(C)C ZINC000065031564 506251403 /nfs/dbraw/zinc/25/14/03/506251403.db2.gz SPQHYOOMXJABJX-OAHLLOKOSA-N 0 3 364.449 2.742 50 0 FFAAHN CN1CCC(N2CCN(C(=O)c3ccc(-c4cccs4)nc3)CC2)CC1 ZINC000065178042 506268032 /nfs/dbraw/zinc/26/80/32/506268032.db2.gz SUGUOUZNEVCCME-UHFFFAOYSA-N 0 3 370.522 2.662 50 0 FFAAHN C[C@H](NCC(C)(C)N1CCc2ccccc2C1)C(=O)Nc1nccs1 ZINC000065406715 506294744 /nfs/dbraw/zinc/29/47/44/506294744.db2.gz WUFASEIKYRUALP-AWEZNQCLSA-N 0 3 358.511 2.897 50 0 FFAAHN CCCc1nc(C)c(Cn2cnc3sc4c(c3c2=O)CCNC4)s1 ZINC000065410702 506294867 /nfs/dbraw/zinc/29/48/67/506294867.db2.gz JRBRJNISYBMWTE-UHFFFAOYSA-N 0 3 360.508 2.869 50 0 FFAAHN CCOC(=O)c1c2ccc(CNCCO)c(Cl)c2sc1NC(C)=O ZINC000003141988 506311777 /nfs/dbraw/zinc/31/17/77/506311777.db2.gz WZNQOHBZVBPRHS-UHFFFAOYSA-N 0 3 370.858 2.772 50 0 FFAAHN COC(=O)C1C(CNC2CCCCC2)=NC(=O)N[C@@H]1c1ccccc1C ZINC000066089490 506421465 /nfs/dbraw/zinc/42/14/65/506421465.db2.gz IIAKCADCLHWBCT-GOSISDBHSA-N 0 3 357.454 2.698 50 0 FFAAHN CCN(CC)CCSc1nnc(CNC(=O)c2c(F)cccc2F)o1 ZINC000005107598 506422766 /nfs/dbraw/zinc/42/27/66/506422766.db2.gz XLQXMAVMCIXFIC-UHFFFAOYSA-N 0 3 370.425 2.712 50 0 FFAAHN CNS(=O)(=O)c1ccc(CN(C)CCOc2ccc(C)cc2C)cc1 ZINC000055090884 506673751 /nfs/dbraw/zinc/67/37/51/506673751.db2.gz AELKAYHKZVPJPX-UHFFFAOYSA-N 0 3 362.495 2.722 50 0 FFAAHN Cc1cc(C)cc(OCCN(C)C(=O)CC[C@@H](C)N2CCN(C)CC2)c1 ZINC000055182631 506693767 /nfs/dbraw/zinc/69/37/67/506693767.db2.gz ZFLFBTDSENZEFT-LJQANCHMSA-N 0 3 361.530 2.557 50 0 FFAAHN COc1ccccc1/C=C/CNCc1cccnc1N1CCC[C@@H](O)C1 ZINC000011816155 506796415 /nfs/dbraw/zinc/79/64/15/506796415.db2.gz OOFQWQYZZSVSJR-RRGNZLCHSA-N 0 3 353.466 2.854 50 0 FFAAHN Cc1cccnc1C[C@H](C)Nc1nc(-c2cccnc2)nc2c1CCNC2 ZINC000067431946 506878470 /nfs/dbraw/zinc/87/84/70/506878470.db2.gz DRJAKSHVGGNTSA-HNNXBMFYSA-N 0 3 360.465 2.931 50 0 FFAAHN Cc1cccnc1C[C@@H](C)Nc1nc(-c2cccnc2)nc2c1CCNC2 ZINC000067431942 506879025 /nfs/dbraw/zinc/87/90/25/506879025.db2.gz DRJAKSHVGGNTSA-OAHLLOKOSA-N 0 3 360.465 2.931 50 0 FFAAHN CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)CCn3cncn3)C2)cc1 ZINC000012713641 506891935 /nfs/dbraw/zinc/89/19/35/506891935.db2.gz YEOLDMHNPZZQLM-HXUWFJFHSA-N 0 3 369.513 2.648 50 0 FFAAHN Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)c1 ZINC000012706455 506891960 /nfs/dbraw/zinc/89/19/60/506891960.db2.gz AFRAGMLQSBRKIF-QFIPXVFZSA-N 0 3 365.477 2.757 50 0 FFAAHN CC(C)(C)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000012791295 506901246 /nfs/dbraw/zinc/90/12/46/506901246.db2.gz VQNSWXKQXDJSKY-UHFFFAOYSA-N 0 3 367.515 2.578 50 0 FFAAHN COc1ccc([C@H]2CCCN2CCC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000012797474 506903855 /nfs/dbraw/zinc/90/38/55/506903855.db2.gz NUIDJKSKIZBZIC-LJQANCHMSA-N 0 3 367.449 2.960 50 0 FFAAHN CN(C)[C@H](CNC(=S)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000013039887 506925469 /nfs/dbraw/zinc/92/54/69/506925469.db2.gz IXEMBFYLQZMDGZ-MRXNPFEDSA-N 0 3 357.479 2.682 50 0 FFAAHN CN1CCC2(CC1)CN(C(=O)C1(Nc3ccccc3)CCCC1)CCN2C ZINC000067688361 506978903 /nfs/dbraw/zinc/97/89/03/506978903.db2.gz WAAPMJORNVHXCE-UHFFFAOYSA-N 0 3 370.541 2.650 50 0 FFAAHN Cc1cccc(CNC[C@]2(O)CCCN(CCc3ccccc3)C2=O)c1C ZINC000067772927 507005274 /nfs/dbraw/zinc/00/52/74/507005274.db2.gz ORETUVWABOSYKJ-HSZRJFAPSA-N 0 3 366.505 2.989 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N[C@@H](C)c3ccc(O)cc3)cnn2c1 ZINC000067820527 507017324 /nfs/dbraw/zinc/01/73/24/507017324.db2.gz YXWZQUMWJAMMFK-AWEZNQCLSA-N 0 3 367.453 2.768 50 0 FFAAHN CN(Cc1cc(C(=O)N(C)C[C@@]2(C)CCN(C)C2)no1)Cc1ccccc1 ZINC000067934514 507057223 /nfs/dbraw/zinc/05/72/23/507057223.db2.gz JAQQSNSPRJIDNU-NRFANRHFSA-N 0 3 370.497 2.720 50 0 FFAAHN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000015773221 507059245 /nfs/dbraw/zinc/05/92/45/507059245.db2.gz RMBBLCSQIXUXCD-NRFANRHFSA-N 0 3 365.477 2.603 50 0 FFAAHN C[C@H]1CCCCN1C1CN(c2nc(-c3ccccc3)nc3c2CCNC3)C1 ZINC000067954269 507066006 /nfs/dbraw/zinc/06/60/06/507066006.db2.gz LPTILFVNRTZZBR-INIZCTEOSA-N 0 3 363.509 2.852 50 0 FFAAHN CN(Cc1cc(C(=O)N(C)C[C@H]2CCCCN2C)no1)Cc1ccccc1 ZINC000067955156 507066438 /nfs/dbraw/zinc/06/64/38/507066438.db2.gz PKVKHFUSXHWQAE-GOSISDBHSA-N 0 3 370.497 2.863 50 0 FFAAHN CN1CCC2(CC1)CN(C(=O)c1cc(-c3ccccc3)on1)CCCN2C ZINC000067964884 507069831 /nfs/dbraw/zinc/06/98/31/507069831.db2.gz ADUYYFVKDVSBJT-UHFFFAOYSA-N 0 3 368.481 2.584 50 0 FFAAHN CCN1CCC(NC(=O)[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000016602290 507098428 /nfs/dbraw/zinc/09/84/28/507098428.db2.gz ONCCUYUTGBYCNM-LBPRGKRZSA-N 0 3 355.276 2.817 50 0 FFAAHN COC(=O)C1CCN(C(=O)C2CCN(Cc3ccc(C)cc3)CC2)CC1 ZINC000020102920 507211104 /nfs/dbraw/zinc/21/11/04/507211104.db2.gz KTJIQLCPPSPBKJ-UHFFFAOYSA-N 0 3 358.482 2.619 50 0 FFAAHN COC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000020518249 507224114 /nfs/dbraw/zinc/22/41/14/507224114.db2.gz FHJDBYQJWCLCBS-IBGZPJMESA-N 0 3 371.481 2.816 50 0 FFAAHN COCCN1CCC(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000023127556 507331124 /nfs/dbraw/zinc/33/11/24/507331124.db2.gz OYEDLGNCRXEZQZ-UHFFFAOYSA-N 0 3 368.543 2.621 50 0 FFAAHN CCCN1CCC[C@H]1c1ccc(C(=O)NCCSc2c[nH]nn2)s1 ZINC000023250456 507340652 /nfs/dbraw/zinc/34/06/52/507340652.db2.gz CQYVESSGWXEZJD-LBPRGKRZSA-N 0 3 365.528 2.935 50 0 FFAAHN CCCCN1CCCC[C@@H]1CNC(=O)c1ccc(Cn2cncn2)cc1 ZINC000058169145 507378572 /nfs/dbraw/zinc/37/85/72/507378572.db2.gz OHJVMJJZWNACNV-LJQANCHMSA-N 0 3 355.486 2.711 50 0 FFAAHN CN(C(=O)c1ccc2c(c1)OCO2)C1CCN(CCc2ccccn2)CC1 ZINC000058191516 507381526 /nfs/dbraw/zinc/38/15/26/507381526.db2.gz QQODWYQAHQWWAU-UHFFFAOYSA-N 0 3 367.449 2.589 50 0 FFAAHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)[C@H]1COc2ccccc2O1 ZINC000058185784 507382293 /nfs/dbraw/zinc/38/22/93/507382293.db2.gz CAEFMVREOBQSIA-DNVCBOLYSA-N 0 3 372.490 2.916 50 0 FFAAHN C[C@H]1CCCCN1CCNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000058406897 507414734 /nfs/dbraw/zinc/41/47/34/507414734.db2.gz VMJDGBBNKQICRN-IRXDYDNUSA-N 0 3 362.493 2.826 50 0 FFAAHN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058804309 507466789 /nfs/dbraw/zinc/46/67/89/507466789.db2.gz GFNPMKRHJFSKPZ-BEFAXECRSA-N 0 3 354.498 2.921 50 0 FFAAHN Cc1cccc(OCCN(C)C[C@H](O)COCc2ccc3c(c2)OCO3)c1 ZINC000025698307 507524573 /nfs/dbraw/zinc/52/45/73/507524573.db2.gz UDXUUZARRVGXAX-SFHVURJKSA-N 0 3 373.449 2.612 50 0 FFAAHN COc1cc(OC)c([C@H]2NCC[C@@]23C(=O)Nc2ccc(F)cc23)cc1OC ZINC000062001320 507652188 /nfs/dbraw/zinc/65/21/88/507652188.db2.gz BDLYWJPBXZFJRJ-QUCCMNQESA-N 0 3 372.396 2.776 50 0 biogenic FFAAHN CC(C)(C)c1ccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 ZINC000071768177 507715001 /nfs/dbraw/zinc/71/50/01/507715001.db2.gz OLKAUWPECIISDJ-UHFFFAOYSA-N 0 3 371.525 2.930 50 0 FFAAHN CCCNC(=O)C1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000051402159 507768377 /nfs/dbraw/zinc/76/83/77/507768377.db2.gz QRRVLDMRDZLZCY-INIZCTEOSA-N 0 3 358.404 2.977 50 0 FFAAHN OCCN1CCC[C@@H](CNc2cc(-c3ccccc3F)nc3ccnn32)C1 ZINC000072170563 507769159 /nfs/dbraw/zinc/76/91/59/507769159.db2.gz JYIXUIBRRNCINY-HNNXBMFYSA-N 0 3 369.444 2.652 50 0 FFAAHN O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C[C@@H]2CCCO2)C1 ZINC000072272618 507771984 /nfs/dbraw/zinc/77/19/84/507771984.db2.gz OFIFYUIAHUQNPE-JSGCOSHPSA-N 0 3 368.275 2.674 50 0 FFAAHN Cc1ncc(CNCCNC(=O)Cc2cccc(F)c2)n1-c1ccccc1 ZINC000072312311 507774996 /nfs/dbraw/zinc/77/49/96/507774996.db2.gz ABKUZGFCAWVZHQ-UHFFFAOYSA-N 0 3 366.440 2.768 50 0 FFAAHN CCC(=O)Nc1ccc(C)c(NC(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000072312887 507775283 /nfs/dbraw/zinc/77/52/83/507775283.db2.gz MUOTZHVFPIKCRP-SFHVURJKSA-N 0 3 364.515 2.902 50 0 FFAAHN O=c1n2ccccc2nn1CCN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029832764 507792198 /nfs/dbraw/zinc/79/21/98/507792198.db2.gz QZJKMGOZCBFWSY-HNNXBMFYSA-N 0 3 363.421 2.517 50 0 FFAAHN COc1ccc([C@@H](C)n2ccnc2-c2cc3n(n2)CCCNC3)cc1F ZINC000072438605 507792517 /nfs/dbraw/zinc/79/25/17/507792517.db2.gz HBKWWPFSKXIYAI-CYBMUJFWSA-N 0 3 355.417 2.997 50 0 FFAAHN CCn1ccc2c1cccc2CN1CCN(C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000091289488 507978791 /nfs/dbraw/zinc/97/87/91/507978791.db2.gz WUSWTQVHVSGHIA-QFIPXVFZSA-N 0 3 368.525 2.790 50 0 FFAAHN Cc1c(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C)C3)cnn1C ZINC000091460647 507988325 /nfs/dbraw/zinc/98/83/25/507988325.db2.gz PVJBRINLQBCXAP-FQEVSTJZSA-N 0 3 366.509 2.957 50 0 FFAAHN CCc1ccc(CN2CCC3(CCC(=O)N([C@@H]4CCN(C)C4)C3)CC2)nc1 ZINC000091505775 507990392 /nfs/dbraw/zinc/99/03/92/507990392.db2.gz NXPNYADTCULBFV-HXUWFJFHSA-N 0 3 370.541 2.553 50 0 FFAAHN O=C(C1CC1)N1CCc2nc[nH]c2C12CCN(Cc1ccccc1F)CC2 ZINC000091656399 508000301 /nfs/dbraw/zinc/00/03/01/508000301.db2.gz IOJJVACZRFPSDV-UHFFFAOYSA-N 0 3 368.456 2.835 50 0 FFAAHN CN1CCN(CCCC(F)(F)F)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091665576 508001016 /nfs/dbraw/zinc/00/10/16/508001016.db2.gz MTBCRVYOTIDZBT-KRWDZBQOSA-N 0 3 361.452 2.738 50 0 FFAAHN CCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2ccncc2)CC1 ZINC000091754961 508008876 /nfs/dbraw/zinc/00/88/76/508008876.db2.gz DCIVUPCFSMXRBD-UHFFFAOYSA-N 0 3 365.485 2.626 50 0 FFAAHN O=C(c1ccc(=O)[nH]n1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000075092680 508081855 /nfs/dbraw/zinc/08/18/55/508081855.db2.gz WGUZBIMIBFSJBE-UHFFFAOYSA-N 0 3 366.465 2.843 50 0 FFAAHN C[C@H]1CN(CCCCNC(=O)Cc2cccc3cccnc32)C[C@H](C)O1 ZINC000075107560 508083139 /nfs/dbraw/zinc/08/31/39/508083139.db2.gz OCJDUXNOLXZIHB-IRXDYDNUSA-N 0 3 355.482 2.783 50 0 FFAAHN CN(CCn1c(=O)oc2cccnc21)C1CCN(c2ccc(F)cc2)CC1 ZINC000093193769 508127885 /nfs/dbraw/zinc/12/78/85/508127885.db2.gz FNQSOCUJRXPXSI-UHFFFAOYSA-N 0 3 370.428 2.729 50 0 FFAAHN O=C(NCCc1nc2c(s1)CCC2)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000095527402 508196610 /nfs/dbraw/zinc/19/66/10/508196610.db2.gz IAMJKXJRKWSTDY-CQSZACIVSA-N 0 3 359.495 2.796 50 0 FFAAHN Cc1ccc([C@@H]2CN(C(=O)CCN3CCCCCC3=O)C[C@H]2N(C)C)cc1 ZINC000077425991 508314730 /nfs/dbraw/zinc/31/47/30/508314730.db2.gz FCSYEGNUJOQRPH-VQTJNVASSA-N 0 3 371.525 2.644 50 0 FFAAHN Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(Cn3cccn3)cc2)CC1 ZINC000215139204 509243729 /nfs/dbraw/zinc/24/37/29/509243729.db2.gz BNBULNYMSMXYST-FQEVSTJZSA-N 0 3 365.481 2.611 50 0 FFAAHN COCc1cc(CN2CCCN(Cc3ccncc3)CC2)ccc1OC ZINC000215088572 509244340 /nfs/dbraw/zinc/24/43/40/509244340.db2.gz XNIOMSZNSSGVJY-UHFFFAOYSA-N 0 3 355.482 2.945 50 0 FFAAHN COc1c(Cl)cc(Cl)cc1CN1CC[C@@H](N2CCN(C)CC2)C1 ZINC000215777075 509250542 /nfs/dbraw/zinc/25/05/42/509250542.db2.gz BMWOHRCPEFVJKG-OAHLLOKOSA-N 0 3 358.313 2.824 50 0 FFAAHN O=C(N1CCC[C@H](OCc2cccnc2)C1)C1(N2CCCC2)CCCC1 ZINC000220013999 509293208 /nfs/dbraw/zinc/29/32/08/509293208.db2.gz XLUDTFQLBGUMNH-IBGZPJMESA-N 0 3 357.498 2.998 50 0 FFAAHN C[C@@H]1CN(Cc2ccccc2CNCc2cccc(C(N)=O)c2)C[C@H](C)O1 ZINC000237623065 509694488 /nfs/dbraw/zinc/69/44/88/509694488.db2.gz KPEGKQMEQPOXLY-CALCHBBNSA-N 0 3 367.493 2.685 50 0 FFAAHN COC[C@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1ccnn1C ZINC000252497517 509844519 /nfs/dbraw/zinc/84/45/19/509844519.db2.gz QJUDOSMFJGUKHP-IBGZPJMESA-N 0 3 370.497 2.526 50 0 FFAAHN CN(C)Cc1ccc([C@H]2CCCN2C(=O)c2[nH]nc3c2COCC3)cc1 ZINC000244719145 509865095 /nfs/dbraw/zinc/86/50/95/509865095.db2.gz LXXCCYITNLSCRE-GOSISDBHSA-N 0 3 354.454 2.521 50 0 FFAAHN Cc1ccc(CN2C[C@H]([C@H](C)OC(C)(C)C)NC[C@@H]2[C@@H](C)O)cc1F ZINC000245204395 509885127 /nfs/dbraw/zinc/88/51/27/509885127.db2.gz AOETUOPIFXUJJP-WTLGNFPFSA-N 0 3 352.494 2.861 50 0 FFAAHN O[C@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000245329096 509886322 /nfs/dbraw/zinc/88/63/22/509886322.db2.gz QSRPGKYHPZUAQD-RBUKOAKNSA-N 0 3 363.429 2.977 50 0 FFAAHN CC(C)c1ccc(NC(=O)C2CC(=O)N=C3N(N)c4ccccc4N32)cc1 ZINC000253495478 509886775 /nfs/dbraw/zinc/88/67/75/509886775.db2.gz GBNKQNWCNJWFHR-KRWDZBQOSA-N 0 3 363.421 2.604 50 0 FFAAHN CCn1cc(CN2CCC3(CC[C@H]3OCc3nc(C)no3)CC2)c(C)n1 ZINC000257190063 509952259 /nfs/dbraw/zinc/95/22/59/509952259.db2.gz LAZFCDCCBOSBBX-QGZVFWFLSA-N 0 3 359.474 2.864 50 0 FFAAHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnc(C)nc1C ZINC000180879799 510161601 /nfs/dbraw/zinc/16/16/01/510161601.db2.gz XTJNBQIUFKIEDI-GOSISDBHSA-N 0 3 368.481 2.926 50 0 FFAAHN O=C1N[C@@H]2CCCC[C@@H]2CC1S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000333812469 511363935 /nfs/dbraw/zinc/36/39/35/511363935.db2.gz IHWDJOFAKVHJGM-MGBPRESASA-N 0 3 367.433 2.970 50 0 FFAAHN O=C1N[C@@H]2CCCC[C@H]2CC1S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000333812471 511364123 /nfs/dbraw/zinc/36/41/23/511364123.db2.gz IHWDJOFAKVHJGM-MGYRSQIZSA-N 0 3 367.433 2.970 50 0 FFAAHN Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccccc2NC2CCN(C)CC2)cn1 ZINC000363474536 511575425 /nfs/dbraw/zinc/57/54/25/511575425.db2.gz NSTSZRGHWKYTME-DLBZAZTESA-N 0 3 353.470 2.668 50 0 FFAAHN Cc1ccc(C2(O)CCN(C[C@H]3CC(=O)N(c4ccccc4)C3)CC2)nc1 ZINC000299775422 511676063 /nfs/dbraw/zinc/67/60/63/511676063.db2.gz DBIIXYJSFUIUHN-GOSISDBHSA-N 0 3 365.477 2.727 50 0 FFAAHN CC(C)=CCN1CCC2(CC[C@@H](CNC(=O)Cc3cc(C)no3)O2)CC1 ZINC000299777052 511678055 /nfs/dbraw/zinc/67/80/55/511678055.db2.gz NOMJHVNWFPYEOX-KRWDZBQOSA-N 0 3 361.486 2.622 50 0 FFAAHN CCN(C)C1(CNC(=O)Cn2c(C)cc(=O)c3ccccc32)CCCC1 ZINC000299780742 511678695 /nfs/dbraw/zinc/67/86/95/511678695.db2.gz CLVPCRRWEMNDLW-UHFFFAOYSA-N 0 3 355.482 2.691 50 0 FFAAHN CCOc1ccc(NC(=O)N2CCC[C@](CO)(CN(C)C)C2)cc1Cl ZINC000299781575 511679023 /nfs/dbraw/zinc/67/90/23/511679023.db2.gz LZMUTSMIOQGFIF-SFHVURJKSA-N 0 3 369.893 2.907 50 0 FFAAHN Cc1cc(C[C@H](C)NC(=O)Nc2ccccc2OC2CCN(C)CC2)[nH]n1 ZINC000299795375 511683868 /nfs/dbraw/zinc/68/38/68/511683868.db2.gz OJORFTKRVLYIKY-AWEZNQCLSA-N 0 3 371.485 2.944 50 0 FFAAHN Cc1cc(C(=O)N(C)CCCN(C)Cc2ccncc2)nn1C(C)(C)C ZINC000328591911 511889371 /nfs/dbraw/zinc/88/93/71/511889371.db2.gz UCMNEVZCRCSTIM-UHFFFAOYSA-N 0 3 357.502 2.936 50 0 FFAAHN CC(C)(O)CN1CCc2c(cccc2NCc2c[nH]c3nccnc23)C1 ZINC000368217253 512850098 /nfs/dbraw/zinc/85/00/98/512850098.db2.gz XBTGEPPIKSEGGV-UHFFFAOYSA-N 0 3 351.454 2.651 50 0 FFAAHN OCCn1ccc([C@H]2CCCN(Cc3ccc(-c4cc[nH]n4)s3)C2)n1 ZINC000426434125 513938926 /nfs/dbraw/zinc/93/89/26/513938926.db2.gz PASCYNMSGHMQCL-AWEZNQCLSA-N 0 3 357.483 2.707 50 0 FFAAHN CCc1oc2ccccc2c1CN1CC[C@@H](Nc2ncccn2)[C@H](O)C1 ZINC000426521138 513967830 /nfs/dbraw/zinc/96/78/30/513967830.db2.gz BWWUZYVGEUQAQF-IAGOWNOFSA-N 0 3 352.438 2.833 50 0 FFAAHN Cn1cncc1-c1cccc(C(=O)N2CCC(N3CCSCC3)CC2)c1 ZINC000426582755 513986841 /nfs/dbraw/zinc/98/68/41/513986841.db2.gz FOBRYUGUTFACCL-UHFFFAOYSA-N 0 3 370.522 2.741 50 0 FFAAHN CCCNC(=O)c1cc(NC(=O)N2CCN3CCC[C@H]3C2)ccc1Cl ZINC000426689267 514016873 /nfs/dbraw/zinc/01/68/73/514016873.db2.gz OLIIUHFNKTZCFO-AWEZNQCLSA-N 0 3 364.877 2.792 50 0 FFAAHN Cc1nccn1CC1(CNC(=O)c2cccc(-c3cnccc3N)c2)CC1 ZINC000426707602 514020772 /nfs/dbraw/zinc/02/07/72/514020772.db2.gz ZYJJTCQAZMQDMN-UHFFFAOYSA-N 0 3 361.449 2.876 50 0 FFAAHN Cc1cccc2[nH]c(CCN(C)C(=O)NC[C@H](C)N3CCCCC3)nc21 ZINC000584885952 518522349 /nfs/dbraw/zinc/52/23/49/518522349.db2.gz UZCJPMVRGLMORC-INIZCTEOSA-N 0 3 357.502 2.930 50 0 FFAAHN COc1c(N)ccnc1-c1ccc(C(=O)NCCC[C@H]2CCOC2)cc1 ZINC000584891314 518526726 /nfs/dbraw/zinc/52/67/26/518526726.db2.gz PNXACBGNXNHAHH-AWEZNQCLSA-N 0 3 355.438 2.886 50 0 FFAAHN CC(C)c1csc(CCNC(=O)N2CCN(c3ccncc3)CC2)n1 ZINC000584894446 518527761 /nfs/dbraw/zinc/52/77/61/518527761.db2.gz FLGGJIZWNRXIOY-UHFFFAOYSA-N 0 3 359.499 2.736 50 0 FFAAHN O=c1c2cc(-c3ccccc3)sc2ncn1C1CCN(CCO)CC1 ZINC000584897847 518529423 /nfs/dbraw/zinc/52/94/23/518529423.db2.gz CHFNGNSBOJDEMY-UHFFFAOYSA-N 0 3 355.463 2.754 50 0 FFAAHN CC(C)=CCN1CCN(Cc2cn(C)nc2-c2ccccc2)C[C@@H]1CCO ZINC000020995857 519425732 /nfs/dbraw/zinc/42/57/32/519425732.db2.gz YSOFHABNTDTDOB-NRFANRHFSA-N 0 3 368.525 2.922 50 0 FFAAHN CCOc1ccccc1C(=O)N1CCC(CN2CCN(C)C[C@@H]2C)CC1 ZINC000085468244 521452643 /nfs/dbraw/zinc/45/26/43/521452643.db2.gz JEBJEDKODQJJDB-KRWDZBQOSA-N 0 3 359.514 2.573 50 0 FFAAHN CCCn1ncc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)c1C ZINC000020452193 521672423 /nfs/dbraw/zinc/67/24/23/521672423.db2.gz QQTQQWGMVUXTIO-QFIPXVFZSA-N 0 3 370.541 2.713 50 0 FFAAHN COc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cc1C ZINC000082170902 524028942 /nfs/dbraw/zinc/02/89/42/524028942.db2.gz GDPHLGDBQDWVDM-OAQYLSRUSA-N 0 3 360.498 2.591 50 0 FFAAHN Cc1ccc(CN2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)c(F)c1 ZINC000091656827 524452607 /nfs/dbraw/zinc/45/26/07/524452607.db2.gz CZIUBLOXHGUKCM-KRWDZBQOSA-N 0 3 368.460 2.887 50 0 FFAAHN Cc1cc(C)n(-c2cccc(CN3CCN(C(C)C)[C@@H](CCO)C3)c2)n1 ZINC000020600304 524491144 /nfs/dbraw/zinc/49/11/44/524491144.db2.gz LGKYVKJUBPRICP-NRFANRHFSA-N 0 3 356.514 2.766 50 0 FFAAHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000239637141 524614706 /nfs/dbraw/zinc/61/47/06/524614706.db2.gz BJBXIHWOBUZJQH-CEXWTWQISA-N 0 3 358.530 2.933 50 0 FFAAHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)NC1CCC(O)CC1 ZINC000242191326 525007070 /nfs/dbraw/zinc/00/70/70/525007070.db2.gz XEPRQHMGOOKQTI-SGZDXZSOSA-N 0 3 359.514 2.842 50 0 FFAAHN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCN(C)CC1 ZINC000020726855 525986647 /nfs/dbraw/zinc/98/66/47/525986647.db2.gz NNOGGHIZSYFXBN-AWEZNQCLSA-N 0 3 355.935 2.574 50 0 FFAAHN O=C1CCC2(CCN(C/C=C/c3ccc(F)cc3)CC2)CN1CCCO ZINC000091595436 526965429 /nfs/dbraw/zinc/96/54/29/526965429.db2.gz ZJGVUDVLGUKKLO-HNQUOIGGSA-N 0 3 360.473 2.926 50 0 FFAAHN N[C@H](Cc1ccccc1)C(=O)N1CCC(c2nccn2CC2CC2)CC1 ZINC000082138325 527390177 /nfs/dbraw/zinc/39/01/77/527390177.db2.gz OEKSWUXGAQWMMX-LJQANCHMSA-N 0 3 352.482 2.569 50 0 FFAAHN CN(C)CCN1C[C@@]2(CCCN(c3ncc(Cl)cc3F)C2)CCC1=O ZINC000072476831 535880436 /nfs/dbraw/zinc/88/04/36/535880436.db2.gz IKUCGHIGXTVQLM-GOSISDBHSA-N 0 3 368.884 2.645 50 0 FFAAHN COc1ccccc1N1CCN(C2CCN(C[C@H]3CCCCO3)CC2)CC1 ZINC000252494479 537067925 /nfs/dbraw/zinc/06/79/25/537067925.db2.gz NXAUTFLCUQHNOY-HXUWFJFHSA-N 0 3 373.541 2.851 50 0 FFAAHN CNC(=O)COc1ccc(CNCc2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000048782139 570959425 /nfs/dbraw/zinc/95/94/25/570959425.db2.gz VTVBDVPRPSADBU-UHFFFAOYSA-N 0 3 368.412 2.630 50 0 FFAAHN Cc1noc(C)c1CN1CCCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000169751122 571251008 /nfs/dbraw/zinc/25/10/08/571251008.db2.gz IWQRSAPHABQUDJ-UHFFFAOYSA-N 0 3 353.426 2.516 50 0 FFAAHN C[C@@H]1CCCCN1CCNC(=O)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000670451112 571352675 /nfs/dbraw/zinc/35/26/75/571352675.db2.gz PRUQJKRVHMSVHZ-QGZVFWFLSA-N 0 3 362.493 2.527 50 0 FFAAHN CCOC(=O)[C@]1(CCOC)CCCN(Cc2ccc3nsnc3c2)C1 ZINC000064024095 845470962 /nfs/dbraw/zinc/47/09/62/845470962.db2.gz UVXDORGHILBTDT-SFHVURJKSA-N 0 3 363.483 2.873 50 0 FFAAHN Cc1ccc2oc(CN3CCC[C@@H](CN(C)S(C)(=O)=O)C3)cc2c1 ZINC000585084547 845948626 /nfs/dbraw/zinc/94/86/26/845948626.db2.gz SQUPQQKHAPBGJR-HNNXBMFYSA-N 0 3 350.484 2.845 50 0 FFAAHN Cc1nc2ccccc2n1Cc1cc(C(=O)N(C)C[C@@H]2CCCN2C)no1 ZINC000012444810 989446315 /nfs/dbraw/zinc/44/63/15/989446315.db2.gz JVXWLXDVCQARFD-HNNXBMFYSA-N 0 3 367.453 2.547 50 0 FFAAHN CCCCC(=O)Nc1ccc(NC(=O)CN2CCCN(C)CC2)cc1C ZINC000822815983 998956994 /nfs/dbraw/zinc/95/69/94/998956994.db2.gz OTWAZYATMSLGIO-UHFFFAOYSA-N 0 3 360.502 2.700 50 0 FFAAHN Cn1ccnc1CN1CCN(Cc2cc(CN3CCCCC3)cs2)CC1 ZINC000825641684 999346541 /nfs/dbraw/zinc/34/65/41/999346541.db2.gz VZIXWGPWMBODSP-UHFFFAOYSA-N 0 3 373.570 2.785 50 0 FFAAHN COCCC(=O)N1CCC(N2C[C@@H](OCC3CC3)C23CCCCC3)CC1 ZINC000581802817 999946004 /nfs/dbraw/zinc/94/60/04/999946004.db2.gz QGTNWIXYEWGUBS-LJQANCHMSA-N 0 3 364.530 2.828 50 0 FFAAHN Cc1nn(C)c(N)c1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000952845221 1010975613 /nfs/dbraw/zinc/97/56/13/1010975613.db2.gz LJVILTKRYRLDHS-KRWDZBQOSA-N 0 3 369.513 2.514 50 0 FFAAHN Cc1ccccc1SC1CCN(C(=O)CN2CCCN(C)CC2)CC1 ZINC000952861169 1010994544 /nfs/dbraw/zinc/99/45/44/1010994544.db2.gz YDJWNEMBFLGVSX-UHFFFAOYSA-N 0 3 361.555 2.716 50 0 FFAAHN CCC1=NO[C@H](CN2CCC(CNC(=O)c3ccc(C)nc3C)CC2)C1 ZINC001506396705 1059489420 /nfs/dbraw/zinc/48/94/20/1059489420.db2.gz MSVPJAOKSLVFMP-SFHVURJKSA-N 0 3 358.486 2.695 50 0 FFAAHN Cc1cc(C[C@@H]2CN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]2O)on1 ZINC001529114080 1062168377 /nfs/dbraw/zinc/16/83/77/1062168377.db2.gz KNESFKXHEGZVPI-KDOFPFPSSA-N 0 3 356.401 2.548 50 0 FFAAHN Cc1ccc(NC(=O)NCCNc2cc(N3CCCC3)cnn2)cc1F ZINC000096120942 209885411 /nfs/dbraw/zinc/88/54/11/209885411.db2.gz FQTOPWDFYIIFEY-UHFFFAOYSA-N 0 3 358.421 2.758 50 0 FFAAHN CCN(CC)CCOC(=O)c1cccc(N2C(=O)C3=C(CCCC3)C2=O)c1 ZINC000002000938 209393305 /nfs/dbraw/zinc/39/33/05/209393305.db2.gz FTNARSWCCVIAAL-UHFFFAOYSA-N 0 3 370.449 2.929 50 0 FFAAHN C[C@@H]1CN([C@@H](CNCc2cncn2C)c2c(F)cccc2Cl)CCO1 ZINC000237433741 209348696 /nfs/dbraw/zinc/34/86/96/209348696.db2.gz JDMLCLQTZMGLSC-DYVFJYSZSA-N 0 3 366.868 2.764 50 0 FFAAHN COc1c(CNCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)c(C)nn1C ZINC000237204071 209339591 /nfs/dbraw/zinc/33/95/91/209339591.db2.gz MZCFWHDMTSEPSZ-HOTGVXAUSA-N 0 3 372.513 2.636 50 0 FFAAHN C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1C[C@H](C)C[C@H](C)C1 ZINC000105549047 209266708 /nfs/dbraw/zinc/26/67/08/209266708.db2.gz JUOQKGNWVQVFCM-GRYCIOLGSA-N 0 3 371.403 2.525 50 0 FFAAHN Cc1ncc2c(c1-c1noc(CCc3cn4ccccc4n3)n1)CCNC2 ZINC000097463734 209181611 /nfs/dbraw/zinc/18/16/11/209181611.db2.gz YJEREVQOWFCUER-UHFFFAOYSA-N 0 3 360.421 2.519 50 0 FFAAHN Cc1nc(-c2ccc(CN3CCN(C)CC3)cc2)n(-c2cc(C)ccn2)n1 ZINC000097243966 209175750 /nfs/dbraw/zinc/17/57/50/209175750.db2.gz DPSWXICSBBYVGK-UHFFFAOYSA-N 0 3 362.481 2.694 50 0 FFAAHN CCN1CCC(NC(=O)CN(C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000013010359 220053100 /nfs/dbraw/zinc/05/31/00/220053100.db2.gz SQVAHEYVXXNIIH-UHFFFAOYSA-N 0 3 357.420 2.738 50 0 FFAAHN CCCCc1nc(C)cc(NCCNC(=O)c2[nH]nc3c2CCCC3)n1 ZINC000096165751 209130684 /nfs/dbraw/zinc/13/06/84/209130684.db2.gz RXHWGDKXMQGFER-UHFFFAOYSA-N 0 3 356.474 2.571 50 0 FFAAHN CNS(=O)(=O)c1ccc(-c2ccc(OCCN3CCCC3)cc2)cc1 ZINC000096164987 209129203 /nfs/dbraw/zinc/12/92/03/209129203.db2.gz IMQPROOVFLQLKE-UHFFFAOYSA-N 0 3 360.479 2.736 50 0 FFAAHN NC(=O)Cc1nc(-c2ccc(CN3CCCC3)o2)n(CC2CCCCC2)n1 ZINC000096151530 209125072 /nfs/dbraw/zinc/12/50/72/209125072.db2.gz QSVJCGHQEHUMEW-UHFFFAOYSA-N 0 3 371.485 2.742 50 0 FFAAHN CCn1nc(C2(c3ccccc3)CC2)nc1CC[C@H](C)N1CCN(C)CC1 ZINC000096140336 209120185 /nfs/dbraw/zinc/12/01/85/209120185.db2.gz MOPYSCVUVNPPBJ-SFHVURJKSA-N 0 3 367.541 2.946 50 0 FFAAHN CC[C@H](C(=O)NCCN(C)C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799266 207165691 /nfs/dbraw/zinc/16/56/91/207165691.db2.gz VMTMOGSNEZNRIA-CQSZACIVSA-N 0 3 372.494 2.549 50 0 FFAAHN Cn1nnnc1SCCNCc1ccc(OCc2ccccc2)cc1 ZINC000008591135 207238226 /nfs/dbraw/zinc/23/82/26/207238226.db2.gz LPRKOYNSWBKAJS-UHFFFAOYSA-N 0 3 355.467 2.671 50 0 FFAAHN O=S(=O)(NCCCN1CCCCC1)c1ccc(Br)cc1 ZINC000010279126 207298512 /nfs/dbraw/zinc/29/85/12/207298512.db2.gz GQRNDIKEAYGOQK-UHFFFAOYSA-N 0 3 361.305 2.603 50 0 FFAAHN COc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1Cl ZINC000010111253 207294473 /nfs/dbraw/zinc/29/44/73/207294473.db2.gz POHYZSDTUUNLHQ-UHFFFAOYSA-N 0 3 360.907 2.893 50 0 FFAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCOC ZINC000011878385 207328100 /nfs/dbraw/zinc/32/81/00/207328100.db2.gz LUYBGXYPSLDHME-IBGZPJMESA-N 0 3 362.514 2.835 50 0 FFAAHN CCc1csc(CNC(=O)c2ccc(NC[C@H]3CCCCN3C)nc2)n1 ZINC000011879309 207328154 /nfs/dbraw/zinc/32/81/54/207328154.db2.gz YJGCLYJHKBJWTA-MRXNPFEDSA-N 0 3 373.526 2.927 50 0 FFAAHN COc1ncccc1C(=O)N(C)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012431797 207373370 /nfs/dbraw/zinc/37/33/70/207373370.db2.gz PGJZRVNRWHLEOU-GOSISDBHSA-N 0 3 365.477 2.794 50 0 FFAAHN Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012454159 207377815 /nfs/dbraw/zinc/37/78/15/207377815.db2.gz YNIYEDSPWJKKCX-FQEVSTJZSA-N 0 3 368.525 2.793 50 0 FFAAHN Cc1ccccc1CN1CCCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000030153809 208000815 /nfs/dbraw/zinc/00/08/15/208000815.db2.gz ZKYVUCCGZMSWQA-UHFFFAOYSA-N 0 3 362.477 2.939 50 0 FFAAHN O=c1c2ccc(C(F)(F)F)cc2ncn1CCCN1CCCC[C@H]1CO ZINC000032593119 208031235 /nfs/dbraw/zinc/03/12/35/208031235.db2.gz IYWFXZFKEMVVCI-AWEZNQCLSA-N 0 3 369.387 2.652 50 0 FFAAHN CCc1ccc([C@@H](CNC(=O)C2CCN(C(=O)C3CC3)CC2)N(C)C)cc1 ZINC000032733262 208038018 /nfs/dbraw/zinc/03/80/18/208038018.db2.gz FKDLEXKEHISJRF-HXUWFJFHSA-N 0 3 371.525 2.617 50 0 FFAAHN CCN1CCc2c(cccc2-n2nnc(C(=O)NC(C)(C)CC)c2C)C1 ZINC000069565031 208119079 /nfs/dbraw/zinc/11/90/79/208119079.db2.gz VHDVPVUVRPTATE-UHFFFAOYSA-N 0 3 355.486 2.872 50 0 FFAAHN O[C@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036095517 208142865 /nfs/dbraw/zinc/14/28/65/208142865.db2.gz QSRPGKYHPZUAQD-OALUTQOASA-N 0 3 363.429 2.977 50 0 FFAAHN COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(CN(C)C)cc1 ZINC000039981934 208215302 /nfs/dbraw/zinc/21/53/02/208215302.db2.gz HNJPKCRAFNTRLM-UHFFFAOYSA-N 0 3 354.450 2.818 50 0 FFAAHN Cn1c(Cn2ccnc2)nnc1C1CCN(Cc2cccc(F)c2)CC1 ZINC000091858605 209000763 /nfs/dbraw/zinc/00/07/63/209000763.db2.gz JVURHXWQKLJJNF-UHFFFAOYSA-N 0 3 354.433 2.579 50 0 FFAAHN CS[C@@H]1CN(C(=O)Nc2cccc(-c3noc(C)n3)c2)C[C@H]1N(C)C ZINC000095996516 209095200 /nfs/dbraw/zinc/09/52/00/209095200.db2.gz NTTMPAYMUAXCMN-HUUCEWRRSA-N 0 3 361.471 2.554 50 0 FFAAHN Cc1ccc(-c2cc(C(=O)N3CCC(N4CCSCC4)CC3)[nH]n2)o1 ZINC000091997182 209009449 /nfs/dbraw/zinc/00/94/49/209009449.db2.gz IWUQLSYZAJQYGL-UHFFFAOYSA-N 0 3 360.483 2.632 50 0 FFAAHN O=C(NCc1cc(-c2cccnc2)no1)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095355711 209024016 /nfs/dbraw/zinc/02/40/16/209024016.db2.gz JJINTIYHIOBGDY-INIZCTEOSA-N 0 3 366.421 2.858 50 0 FFAAHN COc1cccc([C@H]2CN(c3ccc(C)nn3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095361531 209029579 /nfs/dbraw/zinc/02/95/79/209029579.db2.gz NBSARXXNMFMKLC-HMXCVIKNSA-N 0 3 350.466 2.860 50 0 FFAAHN CCN1CC[C@]2(CN(Cc3ccc4ccn(C)c4c3)CCN2C)CCC1=O ZINC000092081351 209015993 /nfs/dbraw/zinc/01/59/93/209015993.db2.gz OAZJYVNRNUJWJT-QFIPXVFZSA-N 0 3 368.525 2.697 50 0 FFAAHN CSCc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)o1 ZINC000095365363 209031175 /nfs/dbraw/zinc/03/11/75/209031175.db2.gz KLJFLLHZNPOLGD-GOEBONIOSA-N 0 3 364.511 2.858 50 0 FFAAHN Cc1cn2c(nc(CN3C[C@H]4CC[C@H](CN4CC4CCC4)C3)cc2=O)s1 ZINC000095376471 209036882 /nfs/dbraw/zinc/03/68/82/209036882.db2.gz YZRGOPHMHHYRDN-FUHWJXTLSA-N 0 3 372.538 2.761 50 0 FFAAHN CCN1CC[C@@]2(CN(c3nc4ccccc4s3)CCN2C)CCC1=O ZINC000095381858 209040279 /nfs/dbraw/zinc/04/02/79/209040279.db2.gz UKVXMPLWXWYUDU-LJQANCHMSA-N 0 3 358.511 2.819 50 0 FFAAHN CN(Cc1n[nH]c2c1CCCC2)C(=O)C1CCN(Cc2ccco2)CC1 ZINC000095384813 209041882 /nfs/dbraw/zinc/04/18/82/209041882.db2.gz BRHLPYZRHXNVIG-UHFFFAOYSA-N 0 3 356.470 2.752 50 0 FFAAHN CN(C)C1CN(c2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)C1 ZINC000095450190 209051221 /nfs/dbraw/zinc/05/12/21/209051221.db2.gz VITSVYLVSRNJIT-UHFFFAOYSA-N 0 3 366.494 2.777 50 0 FFAAHN CN(C)CCOc1ccccc1-c1noc([C@H]2CCc3cnn(C)c3C2)n1 ZINC000288969601 257242617 /nfs/dbraw/zinc/24/26/17/257242617.db2.gz HQXVTZPNVPXNCB-AWEZNQCLSA-N 0 3 367.453 2.683 50 0 FFAAHN Cc1ccc([C@@H]2CN(C(=O)Cc3ccc4c(c3)OCO4)C[C@H]2N(C)C)cc1 ZINC000095510085 209069591 /nfs/dbraw/zinc/06/95/91/209069591.db2.gz MKOVYNQWCBXXRT-RBUKOAKNSA-N 0 3 366.461 2.822 50 0 FFAAHN CC(C)CN1CCc2nc[nH]c2C12CCN(c1cccc([C@H](C)O)n1)CC2 ZINC000091943004 132205131 /nfs/dbraw/zinc/20/51/31/132205131.db2.gz JRZQLRZKNPMDOC-INIZCTEOSA-N 0 3 369.513 2.868 50 0 FFAAHN CN(C)CCN1CC2(CCC1=O)CCN(c1ncccc1Cl)CC2 ZINC000095378746 132209399 /nfs/dbraw/zinc/20/93/99/132209399.db2.gz YWAOYVIKLSFMGR-UHFFFAOYSA-N 0 3 350.894 2.506 50 0 FFAAHN c1nc(N2CCCCC2)ncc1CN1C[C@H]2CC[C@H](CN2CC2CC2)C1 ZINC000095531106 132215256 /nfs/dbraw/zinc/21/52/56/132215256.db2.gz FBQISAZFOASJOS-AZUAARDMSA-N 0 3 355.530 2.773 50 0 FFAAHN Cc1cc(C(F)(F)F)cc(N2CCN(C)[C@]3(C2)CCC(=O)N(C)CC3)n1 ZINC000230194899 132289255 /nfs/dbraw/zinc/28/92/55/132289255.db2.gz NITWHFSPHBJYLG-QGZVFWFLSA-N 0 3 370.419 2.542 50 0 FFAAHN Fc1ccc(-c2n[nH]cc2CN[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000109070764 132306723 /nfs/dbraw/zinc/30/67/23/132306723.db2.gz XEPMYYYRNFWJON-QGZVFWFLSA-N 0 3 352.417 2.764 50 0 FFAAHN Cc1c(NC(=O)NCCCN2CCN(C)CC2)cccc1-n1cccc1 ZINC000095521314 209072997 /nfs/dbraw/zinc/07/29/97/209072997.db2.gz CPJMJGIFDDPLMZ-UHFFFAOYSA-N 0 3 355.486 2.545 50 0 FFAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)[C@H]1CCOC1 ZINC000058174801 136130735 /nfs/dbraw/zinc/13/07/35/136130735.db2.gz NEBZGJLQNHDMSV-IBGZPJMESA-N 0 3 365.477 2.984 50 0 FFAAHN O=S(=O)([N-]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)s1 ZINC000070922123 136138468 /nfs/dbraw/zinc/13/84/68/136138468.db2.gz PSTBZFRVCLKMOW-UHFFFAOYSA-N 0 3 371.915 2.991 50 0 FFAAHN CCCc1nc(C)cc(N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)n1 ZINC000072174013 136143684 /nfs/dbraw/zinc/14/36/84/136143684.db2.gz RUYSRRDSMPQZED-UXHICEINSA-N 0 3 352.482 2.650 50 0 FFAAHN O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000095522369 209074400 /nfs/dbraw/zinc/07/44/00/209074400.db2.gz LHERMBBXEXYOBS-MRXNPFEDSA-N 0 3 356.422 2.579 50 0 FFAAHN CCn1nccc1C(=O)Nc1nc2ccccc2n1CCN1CCCCC1 ZINC000000812286 506233071 /nfs/dbraw/zinc/23/30/71/506233071.db2.gz BWDUDGVXDSQFRF-UHFFFAOYSA-N 0 3 366.469 2.991 50 0 FFAAHN CCOc1cccc(C(=O)NCC2(N3CCN(C)CC3)CCCCC2)c1 ZINC000032501761 506260425 /nfs/dbraw/zinc/26/04/25/506260425.db2.gz SABBLVJEBLJWQF-UHFFFAOYSA-N 0 3 359.514 2.765 50 0 FFAAHN O=C(NC1CCCC1)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065255919 506275773 /nfs/dbraw/zinc/27/57/73/506275773.db2.gz YCXAYXJEZFYQHD-IBGZPJMESA-N 0 3 350.466 2.905 50 0 FFAAHN O=C(c1cccnc1N1CCN[C@H](c2ccccc2)C1)N1CCCCC1 ZINC000065255865 506275927 /nfs/dbraw/zinc/27/59/27/506275927.db2.gz SERKNOGGXUQIRA-IBGZPJMESA-N 0 3 350.466 2.859 50 0 FFAAHN O[C@@H](CNC[C@H]1COc2ccccc2O1)COCc1ccccc1Cl ZINC000002654727 506286835 /nfs/dbraw/zinc/28/68/35/506286835.db2.gz KDPDRTDVEFFMGR-HOTGVXAUSA-N 0 3 363.841 2.647 50 0 FFAAHN O=C(CCN1CCC[C@H]1Cn1cccn1)Nc1nc2ccccc2s1 ZINC000065372084 506290091 /nfs/dbraw/zinc/29/00/91/506290091.db2.gz KKDOPTDMNJSPBJ-AWEZNQCLSA-N 0 3 355.467 2.986 50 0 FFAAHN COCCN1CC[C@H](CNc2ncc3c(n2)CCN3c2ccccc2)C1 ZINC000065404032 506292512 /nfs/dbraw/zinc/29/25/12/506292512.db2.gz MMQIWUHSVMPCBQ-MRXNPFEDSA-N 0 3 353.470 2.551 50 0 FFAAHN C[C@@H](NCC(C)(C)N1CCc2ccccc2C1)C(=O)Nc1nccs1 ZINC000065406716 506294434 /nfs/dbraw/zinc/29/44/34/506294434.db2.gz WUFASEIKYRUALP-CQSZACIVSA-N 0 3 358.511 2.897 50 0 FFAAHN CCc1ccc2oc(=O)cc(CN3CCC(c4nncn4C)CC3)c2c1 ZINC000065399301 506292864 /nfs/dbraw/zinc/29/28/64/506292864.db2.gz YZQPCCJQYJWILI-UHFFFAOYSA-N 0 3 352.438 2.864 50 0 FFAAHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C[C@H](O)COc1ccccc1 ZINC000053420498 506375389 /nfs/dbraw/zinc/37/53/89/506375389.db2.gz CIDGMBODUSHFJI-APWZRJJASA-N 0 3 352.438 2.700 50 0 FFAAHN Cc1ccsc1CN(CCN(C)C)C(=O)CCC(=O)NC1CCCC1 ZINC000055168223 506689636 /nfs/dbraw/zinc/68/96/36/506689636.db2.gz AYJMTPSOIBADQC-UHFFFAOYSA-N 0 3 365.543 2.786 50 0 FFAAHN CSc1ccc(CN(CCO)CCn2c(=O)oc3ccccc32)cc1 ZINC000055568848 506782087 /nfs/dbraw/zinc/78/20/87/506782087.db2.gz KFGMGMOULOQJCF-UHFFFAOYSA-N 0 3 358.463 2.811 50 0 FFAAHN COc1ccc(-c2noc(CN3CCC(N4CCSCC4)CC3)n2)cc1 ZINC000012301269 506844566 /nfs/dbraw/zinc/84/45/66/506844566.db2.gz XMUHVPMWYKAIDO-UHFFFAOYSA-N 0 3 374.510 2.758 50 0 FFAAHN Cc1cc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3)nn1C ZINC000012718348 506892643 /nfs/dbraw/zinc/89/26/43/506892643.db2.gz UCOIDZIYWWXMGB-NRFANRHFSA-N 0 3 370.472 2.996 50 0 FFAAHN CCCCc1ccc([C@H](NCc2cc(=O)n(C)c(=O)n2C)C(C)C)cc1 ZINC000012794946 506902251 /nfs/dbraw/zinc/90/22/51/506902251.db2.gz YFKKDAYHBNZEOG-HXUWFJFHSA-N 0 3 357.498 2.914 50 0 FFAAHN CCNc1cc(NCCNC(=O)c2ccc(F)cc2Cl)nc(C)n1 ZINC000067604878 506947493 /nfs/dbraw/zinc/94/74/93/506947493.db2.gz CBQOGMPYUYYXIG-UHFFFAOYSA-N 0 3 351.813 2.851 50 0 FFAAHN CCN(CC)[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)c1ccccc1 ZINC000014076147 506964570 /nfs/dbraw/zinc/96/45/70/506964570.db2.gz IOARRRPGDATVFA-GOSISDBHSA-N 0 3 364.449 2.736 50 0 FFAAHN Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1cccc(F)c1F)C2 ZINC000014532654 506994681 /nfs/dbraw/zinc/99/46/81/506994681.db2.gz JNJSMVQMJJOECA-CQSZACIVSA-N 0 3 374.435 2.581 50 0 FFAAHN CN(CCC(=O)Nc1nnc(C2CC2)s1)Cc1nc2ccc(F)cc2[nH]1 ZINC000067741056 506995215 /nfs/dbraw/zinc/99/52/15/506995215.db2.gz AFOGWASHCXEWIL-UHFFFAOYSA-N 0 3 374.445 2.892 50 0 FFAAHN COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCN(C)CC3)cc1 ZINC000014754002 506998961 /nfs/dbraw/zinc/99/89/61/506998961.db2.gz LHHRLGDUXVXDFJ-UHFFFAOYSA-N 0 3 373.497 2.622 50 0 FFAAHN CCc1ncc(CN2CC[C@@H](C3CCN(c4ncccn4)CC3)C2)cn1 ZINC000014968100 507008843 /nfs/dbraw/zinc/00/88/43/507008843.db2.gz FWWZYHUDQXHIMX-GOSISDBHSA-N 0 3 352.486 2.568 50 0 FFAAHN COCCN1CCC(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000067788177 507010000 /nfs/dbraw/zinc/01/00/00/507010000.db2.gz NEUYZMBIAFDIHI-GOSISDBHSA-N 0 3 366.889 2.598 50 0 FFAAHN Cc1cc(C)n(C[C@@H](C)NCCc2nc(=O)c3c(C)c(C)sc3[nH]2)n1 ZINC000067790649 507010074 /nfs/dbraw/zinc/01/00/74/507010074.db2.gz FNCDIZVNBHNKKZ-LLVKDONJSA-N 0 3 359.499 2.636 50 0 FFAAHN Cc1ccc2nc(CNC[C@H](c3ccccn3)N3CCOCC3)[nH]c2c1C ZINC000067982292 507074521 /nfs/dbraw/zinc/07/45/21/507074521.db2.gz CORVPWVBJQIMER-LJQANCHMSA-N 0 3 365.481 2.738 50 0 FFAAHN Cn1ccnc1CN(C(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000057175351 507196344 /nfs/dbraw/zinc/19/63/44/507196344.db2.gz GZQIVRDVVXNYAG-UHFFFAOYSA-N 0 3 352.482 2.823 50 0 FFAAHN CC(=O)N1CCc2cc([C@H](O)CN3CCN(C4CCCCC4)CC3)ccc21 ZINC000020287195 507217432 /nfs/dbraw/zinc/21/74/32/507217432.db2.gz XJKPYIZXRCACMI-JOCHJYFZSA-N 0 3 371.525 2.579 50 0 FFAAHN Cc1cc(C)c(CN2CCN(C(C)C)[C@@H](CCO)C2)c(-n2cccn2)c1 ZINC000020600764 507226576 /nfs/dbraw/zinc/22/65/76/507226576.db2.gz DJKGVKPTNDOBAM-IBGZPJMESA-N 0 3 356.514 2.766 50 0 FFAAHN Cc1ccc2oc(=O)cc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 ZINC000023127127 507331836 /nfs/dbraw/zinc/33/18/36/507331836.db2.gz MNYUOUQSBGWISX-WBVHZDCISA-N 0 3 362.429 2.882 50 0 biogenic FFAAHN CC[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)NC1CCN(C(C)=O)CC1 ZINC000058200858 507384267 /nfs/dbraw/zinc/38/42/67/507384267.db2.gz CVVWFBYFZLCJHJ-LEWJYISDSA-N 0 3 371.525 2.772 50 0 FFAAHN C[C@@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)N1CCC[C@@H](C)C1 ZINC000058217897 507388503 /nfs/dbraw/zinc/38/85/03/507388503.db2.gz VUYNOIDTMWFSKW-KGLIPLIRSA-N 0 3 365.909 2.580 50 0 FFAAHN CN(CCCNC(=O)Nc1ccccc1-n1cncn1)Cc1ccccc1 ZINC000058265358 507396102 /nfs/dbraw/zinc/39/61/02/507396102.db2.gz LJMFYIMQDVVOGL-UHFFFAOYSA-N 0 3 364.453 2.911 50 0 FFAAHN Cc1nn(Cc2ccccc2)c(C)c1CNC[C@H]1CNc2ccnn2C1 ZINC000058305846 507402788 /nfs/dbraw/zinc/40/27/88/507402788.db2.gz OKRNVOFXZWYNRS-SFHVURJKSA-N 0 3 350.470 2.576 50 0 FFAAHN C[C@@H](CNC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)N1CCCCC1 ZINC000058393702 507412839 /nfs/dbraw/zinc/41/28/39/507412839.db2.gz PFNDTIWVYYMEHU-DLBZAZTESA-N 0 3 362.493 2.826 50 0 FFAAHN CCN1CCC[C@@H](NC(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)C1 ZINC000058431441 507418238 /nfs/dbraw/zinc/41/82/38/507418238.db2.gz FKTSDRWPQUKSPJ-DOTOQJQBSA-N 0 3 364.921 2.950 50 0 FFAAHN COC(=O)c1ccc(CN2CCC(C(=O)Nc3cc(C)on3)CC2)cc1 ZINC000025437958 507500390 /nfs/dbraw/zinc/50/03/90/507500390.db2.gz JCXQFNCADNPZCH-UHFFFAOYSA-N 0 3 357.410 2.620 50 0 FFAAHN CCc1ccccc1C(=O)N1CCC[C@H](Cn2cc(C(C)(C)N)nn2)C1 ZINC000048436017 507523408 /nfs/dbraw/zinc/52/34/08/507523408.db2.gz LYXZHSIGQAEVNO-HNNXBMFYSA-N 0 3 355.486 2.587 50 0 FFAAHN COC(=O)C1=C(CN2CCC[C@H](C)C2)NC(=O)N[C@@H]1c1ccccc1C ZINC000026455922 507589950 /nfs/dbraw/zinc/58/99/50/507589950.db2.gz FSUIGPQIJFZONB-SCLBCKFNSA-N 0 3 357.454 2.508 50 0 FFAAHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1Cc1ccccc1 ZINC000061649606 507631834 /nfs/dbraw/zinc/63/18/34/507631834.db2.gz VTRKPRFIFWWSNH-VQTJNVASSA-N 0 3 350.462 2.870 50 0 FFAAHN CN1CCN(CCCNC(=O)NCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000027349385 507649760 /nfs/dbraw/zinc/64/97/60/507649760.db2.gz DPDKURIVSPYUPD-OAQYLSRUSA-N 0 3 366.509 2.865 50 0 FFAAHN Cc1ncsc1C(=O)NC1CCN(CCC(=O)Nc2ccccc2)CC1 ZINC000051099699 507740155 /nfs/dbraw/zinc/74/01/55/507740155.db2.gz CXVQOZFGACQXMD-UHFFFAOYSA-N 0 3 372.494 2.675 50 0 FFAAHN c1coc(-c2nnc(CN(Cc3cccnc3)[C@H]3CN4CCC3CC4)o2)c1 ZINC000072119467 507749357 /nfs/dbraw/zinc/74/93/57/507749357.db2.gz GTPIDZRTQAUFCT-KRWDZBQOSA-N 0 3 365.437 2.821 50 0 FFAAHN CCC(C)(C)NC(=O)CN1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072126373 507751483 /nfs/dbraw/zinc/75/14/83/507751483.db2.gz GKVDYSPVKSOGJO-CEWLAPEOSA-N 0 3 373.516 2.993 50 0 FFAAHN c1csc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000072126354 507751502 /nfs/dbraw/zinc/75/15/02/507751502.db2.gz CYZSOFOFICIRHV-CDHQVMDDSA-N 0 3 369.490 2.934 50 0 FFAAHN C[C@H](NC(=O)CN(Cc1cccnc1)C1CCN(C)CC1)c1ccccc1 ZINC000072122328 507751737 /nfs/dbraw/zinc/75/17/37/507751737.db2.gz KLKRQDRCZWTKMD-SFHVURJKSA-N 0 3 366.509 2.855 50 0 FFAAHN CC[C@H]1CN(Cc2nc(-c3ccc(C(=O)OC)cc3)no2)CCN1C(C)C ZINC000072127207 507751977 /nfs/dbraw/zinc/75/19/77/507751977.db2.gz JTHZDVKYDMOQFB-KRWDZBQOSA-N 0 3 372.469 2.828 50 0 FFAAHN CC[C@H](CO)NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072133834 507754942 /nfs/dbraw/zinc/75/49/42/507754942.db2.gz NZWUEEZVTGYYSS-OAQYLSRUSA-N 0 3 366.505 2.586 50 0 FFAAHN Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC[C@@H](N(C)CCN(C)C)C1 ZINC000072147094 507757810 /nfs/dbraw/zinc/75/78/10/507757810.db2.gz MLXONSYYBFSDJE-QGZVFWFLSA-N 0 3 356.514 2.883 50 0 FFAAHN Cc1cccc2[nH]c([C@@H]3CCCN(Cc4cc5n(n4)CCCNC5)C3)nc21 ZINC000072146636 507758098 /nfs/dbraw/zinc/75/80/98/507758098.db2.gz YXDWARXMDVGMMU-MRXNPFEDSA-N 0 3 364.497 2.941 50 0 FFAAHN Cc1ccc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)cc1F ZINC000072150194 507759931 /nfs/dbraw/zinc/75/99/31/507759931.db2.gz BZHHOYLAZYIQLH-MOPGFXCFSA-N 0 3 354.425 2.682 50 0 FFAAHN CC(C)c1cc(CN(C)c2nc(-c3ccccn3)nc3c2CCNC3)on1 ZINC000072153118 507762042 /nfs/dbraw/zinc/76/20/42/507762042.db2.gz XIZOVROIYTZPGN-UHFFFAOYSA-N 0 3 364.453 2.932 50 0 FFAAHN O[C@H]1CCCN(CCCNc2cc(-c3ccccc3F)nc3ccnn32)C1 ZINC000072161514 507765092 /nfs/dbraw/zinc/76/50/92/507765092.db2.gz DOGDFOXHHFQGJA-HNNXBMFYSA-N 0 3 369.444 2.794 50 0 FFAAHN COc1cccc([C@@H]2CN(c3nccnc3C)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072163544 507766721 /nfs/dbraw/zinc/76/67/21/507766721.db2.gz MJDGLPHOBGRRHH-XUVXKRRUSA-N 0 3 350.466 2.860 50 0 FFAAHN COc1ncccc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072167377 507767632 /nfs/dbraw/zinc/76/76/32/507767632.db2.gz DBPAWXBIYUJULW-VAMGGRTRSA-N 0 3 363.461 2.793 50 0 FFAAHN Cc1cc2nc(-c3ccccc3)cc(NC[C@H](C)N3CCN(C)CC3)n2n1 ZINC000072426520 507788340 /nfs/dbraw/zinc/78/83/40/507788340.db2.gz RWTRURBUKRCFIL-KRWDZBQOSA-N 0 3 364.497 2.753 50 0 FFAAHN CC(C)(O)CCc1ccc(C(=O)N2CCCO[C@@H](CN3CCCC3)C2)cc1 ZINC000072426584 507788701 /nfs/dbraw/zinc/78/87/01/507788701.db2.gz BJISOURDGBGQNZ-FQEVSTJZSA-N 0 3 374.525 2.717 50 0 FFAAHN O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072434864 507791341 /nfs/dbraw/zinc/79/13/41/507791341.db2.gz UQNHWHWRUNITBH-UHFFFAOYSA-N 0 3 371.868 2.691 50 0 FFAAHN O=C1OC2(CN1CCOc1ccccc1)CCN([C@H]1CCCOC1)CC2 ZINC000072474471 507795642 /nfs/dbraw/zinc/79/56/42/507795642.db2.gz ANQXRTMFKRMGMU-KRWDZBQOSA-N 0 3 360.454 2.531 50 0 FFAAHN CCn1ncc(C(=O)N(CCc2ccccc2)C2CCN(C)CC2)c1C ZINC000072481084 507797453 /nfs/dbraw/zinc/79/74/53/507797453.db2.gz YAGXAGVXGKGDHK-UHFFFAOYSA-N 0 3 354.498 2.991 50 0 FFAAHN O=C(N[C@H](CO)Cc1ccccc1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079144928 507938142 /nfs/dbraw/zinc/93/81/42/507938142.db2.gz RFLVOUDRSYYZPK-SFTDATJTSA-N 0 3 367.493 2.554 50 0 FFAAHN C[C@@H](NCc1cccc(-c2cnn(C)c2)c1)c1ccc(-n2cnnn2)cc1 ZINC000090920193 507939902 /nfs/dbraw/zinc/93/99/02/507939902.db2.gz DVXHVYJZBUGVFD-OAHLLOKOSA-N 0 3 359.437 2.914 50 0 FFAAHN Cc1c(F)cccc1CN1CCC(c2nnc(Cn3ccnc3)n2C)CC1 ZINC000091325406 507980961 /nfs/dbraw/zinc/98/09/61/507980961.db2.gz YYXZYHASNOTXLW-UHFFFAOYSA-N 0 3 368.460 2.887 50 0 FFAAHN O=C(CN1CCCCCC1)N1CC[C@@]2(C1)CCCN(C1CCCC1)C2=O ZINC000091416595 507983945 /nfs/dbraw/zinc/98/39/45/507983945.db2.gz TXOGAMAICBJINI-OAQYLSRUSA-N 0 3 361.530 2.646 50 0 FFAAHN Cc1noc([C@@H]2CN(C(=O)Nc3ccccc3)CC23CCN(C)CC3)n1 ZINC000097112039 508219320 /nfs/dbraw/zinc/21/93/20/508219320.db2.gz HRARPYTTWXYHIT-INIZCTEOSA-N 0 3 355.442 2.721 50 0 FFAAHN O=C(NCc1cc2n(n1)CCCNC2)c1ccc2c(c1)[nH]c1c2CCCC1 ZINC000082148452 508226888 /nfs/dbraw/zinc/22/68/88/508226888.db2.gz RSMZIJGFTJYONV-UHFFFAOYSA-N 0 3 363.465 2.667 50 0 FFAAHN CCCN1CCCn2nc(CNC(=O)c3ccc(OCC)cc3)cc2C1 ZINC000082167341 508227495 /nfs/dbraw/zinc/22/74/95/508227495.db2.gz OKUUMLHDANLYAK-UHFFFAOYSA-N 0 3 356.470 2.828 50 0 FFAAHN O=C(CCCCc1ccccc1)N1CCN([C@@H]2CN3CCC2CC3)CC1 ZINC000077521775 508327655 /nfs/dbraw/zinc/32/76/55/508327655.db2.gz VQUSAINPJKCOTQ-OAQYLSRUSA-N 0 3 355.526 2.638 50 0 FFAAHN COc1cc(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)cc(Cl)c1[O-] ZINC000104507964 508336675 /nfs/dbraw/zinc/33/66/75/508336675.db2.gz NAPHTFCSQSXAHK-OAHLLOKOSA-N 0 3 356.894 2.579 50 0 FFAAHN COc1cc(CN2CC[N@@H+](CC(C)C)[C@H](CCO)C2)cc(Cl)c1[O-] ZINC000104507964 508336679 /nfs/dbraw/zinc/33/66/79/508336679.db2.gz NAPHTFCSQSXAHK-OAHLLOKOSA-N 0 3 356.894 2.579 50 0 FFAAHN COc1cccc(CN2CCN(CCc3ccccc3)C[C@H]2CCO)c1 ZINC000104639738 508340418 /nfs/dbraw/zinc/34/04/18/508340418.db2.gz JTSDTENKAGUQJI-OAQYLSRUSA-N 0 3 354.494 2.807 50 0 FFAAHN Fc1cccc(-c2n[nH]cc2CN2CCCN(c3ncccn3)CC2)c1 ZINC000215303539 509246743 /nfs/dbraw/zinc/24/67/43/509246743.db2.gz WMZXOWXXWINIFR-UHFFFAOYSA-N 0 3 352.417 2.718 50 0 FFAAHN Cc1cccc(CS(=O)(=O)NCC2CCN([C@H]3CCSC3)CC2)c1 ZINC000225572440 509377572 /nfs/dbraw/zinc/37/75/72/509377572.db2.gz VFSIHRRPUDZFDL-SFHVURJKSA-N 0 3 368.568 2.632 50 0 FFAAHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCc1ccccc1C(F)(F)F ZINC000170086052 509667661 /nfs/dbraw/zinc/66/76/61/509667661.db2.gz XUVFIMKRMVXMNQ-UONOGXRCSA-N 0 3 350.406 2.655 50 0 FFAAHN Cc1ccc(NC(=O)CCN2CCC[C@]3(CN(C)C(=O)O3)C2)cc1Cl ZINC000244794807 509870846 /nfs/dbraw/zinc/87/08/46/509870846.db2.gz QTWYYSBQNBXJHP-SFHVURJKSA-N 0 3 365.861 2.894 50 0 FFAAHN Cc1nc(CC(=O)N2CCCN(C3Cc4ccccc4C3)CC2)cs1 ZINC000244852861 509874229 /nfs/dbraw/zinc/87/42/29/509874229.db2.gz VAJMOBNTIYVBKG-UHFFFAOYSA-N 0 3 355.507 2.696 50 0 FFAAHN COc1cc(NC(=O)CCN2CC[C@](O)(c3ccccc3)C2)cc(OC)c1 ZINC000244898882 509875358 /nfs/dbraw/zinc/87/53/58/509875358.db2.gz ZDFNHTUDNLCPCQ-OAQYLSRUSA-N 0 3 370.449 2.626 50 0 FFAAHN Cc1ccc(CN2C[C@H]([C@H](C)OC(C)(C)C)NC[C@@H]2[C@H](C)O)cc1F ZINC000245204392 509885033 /nfs/dbraw/zinc/88/50/33/509885033.db2.gz AOETUOPIFXUJJP-ILRDRHFLSA-N 0 3 352.494 2.861 50 0 FFAAHN O[C@]1(c2ccccn2)CCOC2(CCN(Cc3ccncc3F)CC2)C1 ZINC000257174057 509943873 /nfs/dbraw/zinc/94/38/73/509943873.db2.gz BUMQLULVUKDBFW-HXUWFJFHSA-N 0 3 357.429 2.649 50 0 FFAAHN Cc1ccc(OCc2cccc(C(=O)N3CCN4CCC[C@H]4C3)c2)cn1 ZINC000172173228 510582623 /nfs/dbraw/zinc/58/26/23/510582623.db2.gz KCPYFWXQPMGJEU-IBGZPJMESA-N 0 3 351.450 2.889 50 0 FFAAHN Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC000299764237 511673249 /nfs/dbraw/zinc/67/32/49/511673249.db2.gz YPGNGBGUGDAOBU-MOPGFXCFSA-N 0 3 352.482 2.692 50 0 FFAAHN CN(C)CCN(CCO)C(=O)c1cccc(-c2cncc3ccccc32)c1 ZINC000299764630 511673462 /nfs/dbraw/zinc/67/34/62/511673462.db2.gz ASQUFQVNVXUCNI-UHFFFAOYSA-N 0 3 363.461 2.898 50 0 FFAAHN NCc1cccc(NC(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)c1 ZINC000299766580 511673555 /nfs/dbraw/zinc/67/35/55/511673555.db2.gz FJRRSPANGSTZMQ-SFHVURJKSA-N 0 3 368.437 2.678 50 0 FFAAHN CN(C)c1cccc(-c2cccc(C(=O)NC[C@H]3COCCN(C)C3)c2)c1 ZINC000299780326 511678888 /nfs/dbraw/zinc/67/88/88/511678888.db2.gz BXUMIPMYVNAIQD-QGZVFWFLSA-N 0 3 367.493 2.728 50 0 FFAAHN O=C(NCCN1CCCC[C@H]1CO)Nc1cc(F)cc(C(F)(F)F)c1 ZINC000299782958 511679374 /nfs/dbraw/zinc/67/93/74/511679374.db2.gz WGGLBAIGCYEEMX-AWEZNQCLSA-N 0 3 363.355 2.813 50 0 FFAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)C2(Cn3ccnc3)CC2)C1 ZINC000299783553 511679855 /nfs/dbraw/zinc/67/98/55/511679855.db2.gz WEQGICUVJHLWNM-SFHVURJKSA-N 0 3 352.482 2.577 50 0 FFAAHN CN1CCN(CC[C@@H]2CCCCN2C(=O)Nc2cccc3n[nH]cc32)CC1 ZINC000299784869 511680776 /nfs/dbraw/zinc/68/07/76/511680776.db2.gz IGCFVTKVEUSRFL-INIZCTEOSA-N 0 3 370.501 2.587 50 0 FFAAHN Cc1ncn(CC(=O)N(C)CC2CCN(Cc3ccccc3)CC2)c1C ZINC000299800562 511685590 /nfs/dbraw/zinc/68/55/90/511685590.db2.gz XLZXUIYZFHRYRA-UHFFFAOYSA-N 0 3 354.498 2.871 50 0 FFAAHN CCCN1CCC[C@@H](NC(=O)N(C)Cc2cc(-c3cccnc3)no2)C1 ZINC000426386294 513922902 /nfs/dbraw/zinc/92/29/02/513922902.db2.gz KDTJDPJCQDNERP-MRXNPFEDSA-N 0 3 357.458 2.752 50 0 FFAAHN CC(C)C(=O)N1CCn2nc(CNC3CCc4ccccc4CC3)cc2C1 ZINC000426415285 513934797 /nfs/dbraw/zinc/93/47/97/513934797.db2.gz GRWYTDQFAIMQSV-UHFFFAOYSA-N 0 3 366.509 2.919 50 0 FFAAHN C[C@H]1CCCCN1C1CN(C(=O)NCc2cccc(-n3cccn3)c2)C1 ZINC000426497356 513960133 /nfs/dbraw/zinc/96/01/33/513960133.db2.gz OHGCTURNORHDJP-INIZCTEOSA-N 0 3 353.470 2.641 50 0 FFAAHN COc1cccc(CCNC(=O)N2CC[C@H](N3CCCCC3)C2)c1OC ZINC000426533865 513972852 /nfs/dbraw/zinc/97/28/52/513972852.db2.gz BXLKRJJZICVKDY-KRWDZBQOSA-N 0 3 361.486 2.516 50 0 FFAAHN CCN1CCC[C@@H](NC(=O)N2Cc3cnc(-c4ccccc4)nc3C2)C1 ZINC000534637824 517976870 /nfs/dbraw/zinc/97/68/70/517976870.db2.gz OFJJAEALTRMKCJ-QGZVFWFLSA-N 0 3 351.454 2.653 50 0 FFAAHN CC(=O)c1sccc1-c1cccc(C(=O)N2CC[C@](O)(CN(C)C)C2)c1 ZINC000534655228 517984915 /nfs/dbraw/zinc/98/49/15/517984915.db2.gz ZNHNXUZQCBBMQS-FQEVSTJZSA-N 0 3 372.490 2.756 50 0 FFAAHN O=S(=O)([N-][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cc(F)cc(Cl)c1 ZINC000569795150 518294987 /nfs/dbraw/zinc/29/49/87/518294987.db2.gz GLHFTGMDHJKSGN-JKSUJKDBSA-N 0 3 354.834 2.513 50 0 FFAAHN CCN1CC[C@@H](NC(=O)N2CCN(c3cccc4ccccc43)CC2)C1 ZINC000584885527 518522193 /nfs/dbraw/zinc/52/21/93/518522193.db2.gz QPBHMRBRVDPZFZ-GOSISDBHSA-N 0 3 352.482 2.766 50 0 FFAAHN Cc1nc(-c2cccc(C(=O)N(CCN(C)C)C[C@H]3CCCO3)c2)c(C)[nH]1 ZINC000584901443 518530710 /nfs/dbraw/zinc/53/07/10/518530710.db2.gz PFKQVBIFHOPJCP-LJQANCHMSA-N 0 3 370.497 2.876 50 0 FFAAHN CCCN1CCCn2nc(CNC(=O)c3cccnc3SC)cc2C1 ZINC000082120978 519855160 /nfs/dbraw/zinc/85/51/60/519855160.db2.gz ZINCMPRTMGJDRQ-UHFFFAOYSA-N 0 3 359.499 2.546 50 0 FFAAHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1Cc1ccccc1 ZINC000239672641 521096447 /nfs/dbraw/zinc/09/64/47/521096447.db2.gz BUKGYQIVDFZTHW-OALUTQOASA-N 0 3 358.482 2.638 50 0 FFAAHN CCCn1ncc2c1nc(C1CC1)cc2C(=O)N1CCN2CCC[C@H]2C1 ZINC000020607049 521671976 /nfs/dbraw/zinc/67/19/76/521671976.db2.gz RBGLOYXYEMTHBO-HNNXBMFYSA-N 0 3 353.470 2.639 50 0 FFAAHN COc1cc(CN2CC[C@H](N3CCN(C)CC3)C2)ccc1OCC=C(C)C ZINC000216455933 522392659 /nfs/dbraw/zinc/39/26/59/522392659.db2.gz ZUTIJQBMRIXONO-FQEVSTJZSA-N 0 3 373.541 2.862 50 0 FFAAHN COCc1cn(CC2CCN(Cc3c[nH]c4ccc(F)cc34)CC2)nn1 ZINC000019838804 523141812 /nfs/dbraw/zinc/14/18/12/523141812.db2.gz LRAZOAGWJOYWAD-UHFFFAOYSA-N 0 3 357.433 2.957 50 0 FFAAHN CN(Cc1ccc2c(c1)CN(C)C2)Cc1cnc(NC[C@H]2CCCO2)nc1 ZINC000244605603 523277843 /nfs/dbraw/zinc/27/78/43/523277843.db2.gz FBQNBYHTHVCUGP-HXUWFJFHSA-N 0 3 367.497 2.645 50 0 FFAAHN COc1ccc(CNC[C@@H](C)NCc2ccc(OC)c(OC)c2)cc1OC ZINC000020034827 524071799 /nfs/dbraw/zinc/07/17/99/524071799.db2.gz ANGZRUFMMINUAK-OAHLLOKOSA-N 0 3 374.481 2.989 50 0 biogenic FFAAHN C[C@@H]1CN(C)CCN1CC1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000085468235 524893474 /nfs/dbraw/zinc/89/34/74/524893474.db2.gz UVBREQDCFVIATE-LJQANCHMSA-N 0 3 357.542 2.884 50 0 FFAAHN Cc1ccccc1CC(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 ZINC000082099622 525096204 /nfs/dbraw/zinc/09/62/04/525096204.db2.gz RUZYCRAWFNCKMY-UHFFFAOYSA-N 0 3 354.498 2.912 50 0 FFAAHN Cc1cc(-c2nnc(CCC(=O)N3CCN(C4CCCC4)CC3)o2)c(C)o1 ZINC000020782887 526056900 /nfs/dbraw/zinc/05/69/00/526056900.db2.gz IROWSQBYOQRGDL-UHFFFAOYSA-N 0 3 372.469 2.966 50 0 FFAAHN CSc1ncc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cn1 ZINC000082109733 526219232 /nfs/dbraw/zinc/21/92/32/526219232.db2.gz LGVSBBTYHDXXFA-UHFFFAOYSA-N 0 3 370.522 2.979 50 0 FFAAHN Cc1nn(CCO)cc1CN1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000082106762 526281509 /nfs/dbraw/zinc/28/15/09/526281509.db2.gz DIEYJAIBVJNLEB-UHFFFAOYSA-N 0 3 365.481 2.954 50 0 FFAAHN O=C(c1nccc2ccccc21)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000079105976 526919197 /nfs/dbraw/zinc/91/91/97/526919197.db2.gz NFBAMBRWKUCCSF-GOSISDBHSA-N 0 3 353.466 2.952 50 0 FFAAHN O=C1CC[C@@]2(CCCN(Cc3cccc(F)c3)C2)CN1CCc1c[nH]cn1 ZINC000082148046 526993066 /nfs/dbraw/zinc/99/30/66/526993066.db2.gz GTRQCNGJVJGNST-OAQYLSRUSA-N 0 3 370.472 2.996 50 0 FFAAHN O=C1CC[C@@]2(CCCN(Cc3cccc(F)c3)C2)CN1CCc1cnc[nH]1 ZINC000082148046 526993073 /nfs/dbraw/zinc/99/30/73/526993073.db2.gz GTRQCNGJVJGNST-OAQYLSRUSA-N 0 3 370.472 2.996 50 0 FFAAHN Cn1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)n1 ZINC000091474627 527341029 /nfs/dbraw/zinc/34/10/29/527341029.db2.gz CJTCCNMNNLJCFK-RBUKOAKNSA-N 0 3 352.482 2.589 50 0 FFAAHN COc1ccc(OC)c(CNC(=O)C2CCN(c3ccncc3)CC2)c1 ZINC000033129034 536829688 /nfs/dbraw/zinc/82/96/88/536829688.db2.gz XFOAYWUZWKPJBA-UHFFFAOYSA-N 0 3 355.438 2.632 50 0 FFAAHN O=C(NC1CC1)c1ccc(N2CC[C@@H](NCc3ccc(Cl)cc3)C2)nc1 ZINC000049420989 570962988 /nfs/dbraw/zinc/96/29/88/570962988.db2.gz ZVHWTGSSLYYILP-GOSISDBHSA-N 0 3 370.884 2.996 50 0 FFAAHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000084388018 571084294 /nfs/dbraw/zinc/08/42/94/571084294.db2.gz FFBQZFAYBRZERC-CQSZACIVSA-N 0 3 358.360 2.568 50 0 FFAAHN NS(=O)(=O)c1ccc(N2CCN(Cc3ccccc3C3CC3)CC2)cc1 ZINC000584908312 571320059 /nfs/dbraw/zinc/32/00/59/571320059.db2.gz DUDRWKYPWFRJMP-UHFFFAOYSA-N 0 3 371.506 2.534 50 0 FFAAHN C[C@H]1CCCCN1CCNC(=O)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000670451111 571352632 /nfs/dbraw/zinc/35/26/32/571352632.db2.gz PRUQJKRVHMSVHZ-KRWDZBQOSA-N 0 3 362.493 2.527 50 0 FFAAHN O=C(C1CC1)N1CC[C@H]2[C@H](CCCN2Cc2ccc3nsnc3c2)C1 ZINC000011880316 727812103 /nfs/dbraw/zinc/81/21/03/727812103.db2.gz FYLZUWAXLGMBIK-QAPCUYQASA-N 0 3 356.495 2.914 50 0 FFAAHN COCCN1CCC[C@]2(CCN(Cc3c(F)cccc3Cl)C2)C1=O ZINC000012579335 727814417 /nfs/dbraw/zinc/81/44/17/727814417.db2.gz SBZTUSCEQLVGES-GOSISDBHSA-N 0 3 354.853 2.940 50 0 FFAAHN Cc1nn(C(C)C)c(C)c1CN1CCN(CC(C)(C)C)[C@@H](CCO)C1 ZINC000020600693 727832493 /nfs/dbraw/zinc/83/24/93/727832493.db2.gz FJRHLBMJZMWFHT-SFHVURJKSA-N 0 3 350.551 2.996 50 0 FFAAHN O=C(NCCCn1cc(Cl)cn1)C1CCN(Cc2ccco2)CC1 ZINC000952964696 740471421 /nfs/dbraw/zinc/47/14/21/740471421.db2.gz BGWAXNTVQXUWNY-UHFFFAOYSA-N 0 3 350.850 2.548 50 0 FFAAHN COc1ccccc1Nc1ncccc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000195320275 974470707 /nfs/dbraw/zinc/47/07/07/974470707.db2.gz ULWKECLZXFCSIR-HNNXBMFYSA-N 0 3 352.438 2.754 50 0 FFAAHN CN1CCC(N(C[C@H]2CCOC2)C(=O)c2nccc3ccccc32)CC1 ZINC000169751270 984951726 /nfs/dbraw/zinc/95/17/26/984951726.db2.gz JVGXFZVGWRJTHT-MRXNPFEDSA-N 0 3 353.466 2.808 50 0 FFAAHN O=C(NCC1C2CC3CC(C2)CC1C3)c1ccc(CN2CCCC2)[nH]c1=O ZINC000014987135 1021739154 /nfs/dbraw/zinc/73/91/54/1021739154.db2.gz ZBVGIXVRGCDQLJ-UHFFFAOYSA-N 0 3 369.509 2.773 50 0 FFAAHN CCn1ncc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c1C ZINC000020916043 1022618954 /nfs/dbraw/zinc/61/89/54/1022618954.db2.gz UFMIAFHYDFOVLY-QFIPXVFZSA-N 0 3 370.541 2.713 50 0 FFAAHN Fc1cc(Cl)cnc1N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC001506399917 1059491792 /nfs/dbraw/zinc/49/17/92/1059491792.db2.gz ROYHCOKDUXEDHY-JMARDNNUSA-N 0 3 372.875 2.854 50 0 FFAAHN Cc1c(C(=O)N2CCCNCC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000237743572 209353726 /nfs/dbraw/zinc/35/37/26/209353726.db2.gz LGWSIWMSHYUTNW-UHFFFAOYSA-N 0 3 352.360 2.635 50 0 FFAAHN Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCC1(O)CCOCC1 ZINC000237772484 209353766 /nfs/dbraw/zinc/35/37/66/209353766.db2.gz XEWQBZXEPJGFIZ-UHFFFAOYSA-N 0 3 353.825 2.604 50 0 FFAAHN COc1ccc(C(C)C)cc1CN1CCN(C)[C@@]2(C1)CCNC(=O)CC2 ZINC000107403450 209275818 /nfs/dbraw/zinc/27/58/18/209275818.db2.gz SGVYDWDGLGWHPP-OAQYLSRUSA-N 0 3 359.514 2.605 50 0 FFAAHN Cc1cccn2c(CC(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3)cnc12 ZINC000097805588 209199167 /nfs/dbraw/zinc/19/91/67/209199167.db2.gz BRUADXGQFDSUET-IBGZPJMESA-N 0 3 362.477 2.918 50 0 FFAAHN COc1cc2cccnc2c(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000096160971 209127433 /nfs/dbraw/zinc/12/74/33/209127433.db2.gz BIQLQYPLRRXUAS-MRXNPFEDSA-N 0 3 372.469 2.818 50 0 FFAAHN CN1CCC(n2nc(-c3ccncc3)nc2COC[C@H]2CCCCO2)CC1 ZINC000096160048 209127020 /nfs/dbraw/zinc/12/70/20/209127020.db2.gz JJBHTFOZPILEQL-GOSISDBHSA-N 0 3 371.485 2.693 50 0 FFAAHN COc1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@H](C)N2CCCCC2)C3)c1 ZINC000096147911 209123037 /nfs/dbraw/zinc/12/30/37/209123037.db2.gz PAECHIZQTDGOCG-HNNXBMFYSA-N 0 3 368.481 2.844 50 0 FFAAHN COc1cccc(-c2nc3c([nH]2)CN(C(=O)[C@H](C)N2CCCCC2)CC3)c1 ZINC000096147911 209123039 /nfs/dbraw/zinc/12/30/39/209123039.db2.gz PAECHIZQTDGOCG-HNNXBMFYSA-N 0 3 368.481 2.844 50 0 FFAAHN Cn1cc(CCc2nc(-c3ccccc3)nn2C2CCN(C)CC2)cn1 ZINC000096153511 209126437 /nfs/dbraw/zinc/12/64/37/209126437.db2.gz RPIRIZZYWUDVJX-UHFFFAOYSA-N 0 3 350.470 2.731 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC ZINC000096115298 209114957 /nfs/dbraw/zinc/11/49/57/209114957.db2.gz AHWKZXHQZLTRJI-INIZCTEOSA-N 0 3 372.465 2.643 50 0 biogenic FFAAHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc(N2CCCC2)cc1 ZINC000299767358 206639433 /nfs/dbraw/zinc/63/94/33/206639433.db2.gz GGBCJAPWPLHVOP-HXUWFJFHSA-N 0 3 357.498 2.660 50 0 FFAAHN CCNc1cc(NCCNC(=O)c2c(F)cccc2Cl)nc(C)n1 ZINC000036708073 207288244 /nfs/dbraw/zinc/28/82/44/207288244.db2.gz VDDOINARNCQZGQ-UHFFFAOYSA-N 0 3 351.813 2.851 50 0 FFAAHN CN(Cc1ccccc1)C[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000011661838 207317148 /nfs/dbraw/zinc/31/71/48/207317148.db2.gz WQACRQILFPDXEI-OAQYLSRUSA-N 0 3 356.441 2.811 50 0 FFAAHN CN(C(=O)/C=C/c1cnn(C)c1)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000011707168 207318083 /nfs/dbraw/zinc/31/80/83/207318083.db2.gz WZGADGYMYPJTNS-CTDFXDFQSA-N 0 3 352.482 2.599 50 0 FFAAHN Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCN4CCCO4)C3)C2)c1 ZINC000011717890 207321033 /nfs/dbraw/zinc/32/10/33/207321033.db2.gz PGJKTKIKHRPULW-JOCHJYFZSA-N 0 3 371.525 2.837 50 0 FFAAHN Cc1cc(C)c(C(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)c(=O)[nH]1 ZINC000011813445 207321313 /nfs/dbraw/zinc/32/13/13/207321313.db2.gz BPPZHLLQBYXNEQ-IBGZPJMESA-N 0 3 367.493 2.819 50 0 FFAAHN CN(C[C@@H]1CCCCN1C)C(=O)c1cc(Cn2ccc3ccccc32)n[nH]1 ZINC000011820214 207323205 /nfs/dbraw/zinc/32/32/05/207323205.db2.gz PABZBVGAEKHZTG-SFHVURJKSA-N 0 3 365.481 2.969 50 0 FFAAHN Cc1cc(C)n(CC(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)n1 ZINC000011662228 207316575 /nfs/dbraw/zinc/31/65/75/207316575.db2.gz WJROPYLYJCGDAO-FQEVSTJZSA-N 0 3 354.498 2.713 50 0 FFAAHN COC(=O)CCC(=O)N[C@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 ZINC000012298381 207356791 /nfs/dbraw/zinc/35/67/91/207356791.db2.gz WDRSGUUUUFVUKF-IBGZPJMESA-N 0 3 360.498 2.919 50 0 FFAAHN CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2cnn(C)c2)C1 ZINC000012431578 207373486 /nfs/dbraw/zinc/37/34/86/207373486.db2.gz ACJSLWBRKYWBIB-CTDFXDFQSA-N 0 3 352.482 2.599 50 0 FFAAHN C[S@](=O)c1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000032400704 208028719 /nfs/dbraw/zinc/02/87/19/208028719.db2.gz QEYQBKADSYWPII-RUZDIDTESA-N 0 3 356.491 2.602 50 0 FFAAHN CCc1ccc([C@H](CNC(=O)c2cnn(C)c2-n2cccc2)N(C)C)cc1 ZINC000032734606 208037587 /nfs/dbraw/zinc/03/75/87/208037587.db2.gz HESWCAJFNNUKMH-IBGZPJMESA-N 0 3 365.481 2.806 50 0 FFAAHN COCCN(Cc1ccc(OC)cc1)C[C@@H](O)COc1ccccc1C ZINC000036095198 208143057 /nfs/dbraw/zinc/14/30/57/208143057.db2.gz BPAQURFKOHOOMW-LJQANCHMSA-N 0 3 359.466 2.892 50 0 FFAAHN COCCCN(Cc1cccc(OC)c1OC)C[C@@H](O)COCC(C)C ZINC000036097178 208145823 /nfs/dbraw/zinc/14/58/23/208145823.db2.gz SAIUFNJXEFZJFY-GOSISDBHSA-N 0 3 369.502 2.576 50 0 FFAAHN COCCCN(Cc1ccc(C)o1)C[C@H](O)COc1ccc(OC)cc1 ZINC000036097853 208147502 /nfs/dbraw/zinc/14/75/02/208147502.db2.gz ZHKBSPQFLXVUHN-KRWDZBQOSA-N 0 3 363.454 2.875 50 0 FFAAHN O=C(Cn1ccnc1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1F)C2 ZINC000039371936 208211671 /nfs/dbraw/zinc/21/16/71/208211671.db2.gz QWIVTZJQKFYQSO-FQEVSTJZSA-N 0 3 356.445 2.537 50 0 FFAAHN CNC(=O)[C@@H]1C[C@H](NCc2ccc(Cl)cc2)CN1Cc1ccccc1 ZINC000039557751 208214718 /nfs/dbraw/zinc/21/47/18/208214718.db2.gz UBTGASBJVSENAB-OALUTQOASA-N 0 3 357.885 2.819 50 0 FFAAHN O=C(NCCN1CCCCCC1)c1nc(N2CCCCC2)ncc1Cl ZINC000040141976 208234291 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/nfs/dbraw/zinc/49/50/63/507495063.db2.gz QPXANUJBCUVPKD-HZPDHXFCSA-N 0 3 366.527 2.578 50 0 FFAAHN CN1CCN(CCCNC(=O)c2ccccc2Nc2ccccc2)CC1 ZINC000061211515 507604500 /nfs/dbraw/zinc/60/45/00/507604500.db2.gz NQTNDQYZBRRMBH-UHFFFAOYSA-N 0 3 352.482 2.798 50 0 FFAAHN c1coc(-c2nnc(CN(Cc3cccnc3)[C@@H]3CN4CCC3CC4)o2)c1 ZINC000072119466 507749849 /nfs/dbraw/zinc/74/98/49/507749849.db2.gz GTPIDZRTQAUFCT-QGZVFWFLSA-N 0 3 365.437 2.821 50 0 FFAAHN COc1cccc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)c1C ZINC000072121594 507750390 /nfs/dbraw/zinc/75/03/90/507750390.db2.gz BDUZYSBMRSBITM-UXHICEINSA-N 0 3 366.461 2.552 50 0 FFAAHN O[C@@H]1CCCN(CCCNc2cc(-c3ccccc3F)nc3ccnn32)C1 ZINC000072161515 507765897 /nfs/dbraw/zinc/76/58/97/507765897.db2.gz DOGDFOXHHFQGJA-OAHLLOKOSA-N 0 3 369.444 2.794 50 0 FFAAHN Cc1ccc(C(=O)Nc2cccc(NC(=O)C[C@H]3CNCCO3)c2)cc1 ZINC000063881567 507778718 /nfs/dbraw/zinc/77/87/18/507778718.db2.gz LHQQIVJDZIMGEU-SFHVURJKSA-N 0 3 353.422 2.564 50 0 FFAAHN CCCc1n[nH]cc1C(=O)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000072435883 507791730 /nfs/dbraw/zinc/79/17/30/507791730.db2.gz HOXBYERVWUGIAD-UHFFFAOYSA-N 0 3 352.482 2.678 50 0 FFAAHN Cn1ncc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)c1C1CC1 ZINC000072475575 507795779 /nfs/dbraw/zinc/79/57/79/507795779.db2.gz RWDONODJZFBWCY-NRFANRHFSA-N 0 3 350.510 2.973 50 0 FFAAHN NS(=O)(=O)c1ccc(OCCN2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000052455254 507809596 /nfs/dbraw/zinc/80/95/96/507809596.db2.gz IXZWITCQGZKACW-GOSISDBHSA-N 0 3 364.442 2.689 50 0 FFAAHN O=C(CCCN1CCN(Cc2ccccc2)C[C@H](O)C1)c1ccc(F)cc1 ZINC000108257683 507883206 /nfs/dbraw/zinc/88/32/06/507883206.db2.gz DGDMRRPGRVLTIN-OAQYLSRUSA-N 0 3 370.468 2.967 50 0 FFAAHN CC1CCN(C[C@H](O)CNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000078803172 507908639 /nfs/dbraw/zinc/90/86/39/507908639.db2.gz QZDZTCUOUZEBOU-KURKYZTESA-N 0 3 350.890 2.653 50 0 FFAAHN COc1ccc(CN2CCC3(CCC(=O)N(C[C@H](C)O)C3)CC2)cc1C ZINC000091624915 507997167 /nfs/dbraw/zinc/99/71/67/507997167.db2.gz XGKHBXDAFSURPA-KRWDZBQOSA-N 0 3 360.498 2.589 50 0 FFAAHN O=C(c1ccc2cccc(F)c2n1)N1CCCO[C@H](CN2CCCC2)C1 ZINC000091664763 508000550 /nfs/dbraw/zinc/00/05/50/508000550.db2.gz MILXSXJMHNMQHW-MRXNPFEDSA-N 0 3 357.429 2.701 50 0 FFAAHN O=C(NCCN1CCCC1)c1nc2ccccn2c1-c1ccc(F)cc1 ZINC000097939360 508230477 /nfs/dbraw/zinc/23/04/77/508230477.db2.gz OAPSYZVBVMWDTC-UHFFFAOYSA-N 0 3 352.413 2.966 50 0 FFAAHN Cc1nccn1CCC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000077320714 508299700 /nfs/dbraw/zinc/29/97/00/508299700.db2.gz FYULHBZLAOBFOY-UHFFFAOYSA-N 0 3 354.498 2.749 50 0 FFAAHN c1ccc(-c2nc3c(c(NC[C@H]4OCCc5ccccc54)n2)CCNC3)nc1 ZINC000077319645 508300070 /nfs/dbraw/zinc/30/00/70/508300070.db2.gz LJIFMUWZOGZZNC-HXUWFJFHSA-N 0 3 373.460 2.910 50 0 FFAAHN CC(C)CCN1CCN(Cc2cccc(-n3cccn3)c2)C[C@H]1CCO ZINC000104336718 508332166 /nfs/dbraw/zinc/33/21/66/508332166.db2.gz UQPSBRDBYWLPSY-OAQYLSRUSA-N 0 3 356.514 2.787 50 0 FFAAHN Cc1ccc(CN2CCN(Cc3cc(C(C)C)[nH]n3)C[C@H]2CCO)cc1 ZINC000104459023 508335698 /nfs/dbraw/zinc/33/56/98/508335698.db2.gz ZEMRBBGYXDQHRM-HXUWFJFHSA-N 0 3 356.514 2.910 50 0 FFAAHN C[C@H](C(=O)NCCc1ccccc1)N1CC[C@H](CNc2ccccn2)C1 ZINC000114717160 508340690 /nfs/dbraw/zinc/34/06/90/508340690.db2.gz UQAXBRROQVPXKJ-IEBWSBKVSA-N 0 3 352.482 2.563 50 0 FFAAHN C[C@@H](C(=O)NCCc1ccccc1)N1CC[C@H](CNc2ccccn2)C1 ZINC000114717158 508340981 /nfs/dbraw/zinc/34/09/81/508340981.db2.gz UQAXBRROQVPXKJ-PKOBYXMFSA-N 0 3 352.482 2.563 50 0 FFAAHN C[C@H](CNC(=O)c1ccc(OCc2nccn2C)cc1)N1CCC[C@H](C)C1 ZINC000106147957 508396524 /nfs/dbraw/zinc/39/65/24/508396524.db2.gz SPGFBTAWOSMMNA-DLBZAZTESA-N 0 3 370.497 2.849 50 0 FFAAHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000154181188 508731452 /nfs/dbraw/zinc/73/14/52/508731452.db2.gz QKGWLAWLIAGMMX-SFHVURJKSA-N 0 3 355.486 2.560 50 0 FFAAHN CN(C)[C@H]1CCN(C(=O)Nc2ccc(OCCc3ccccc3)nc2)C1 ZINC000151707395 509070685 /nfs/dbraw/zinc/07/06/85/509070685.db2.gz NGIUCQBZRRRBGC-SFHVURJKSA-N 0 3 354.454 2.871 50 0 FFAAHN COc1cc(CN2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)ccc1OCC=C(C)C ZINC000215892263 509253327 /nfs/dbraw/zinc/25/33/27/509253327.db2.gz KKUZVHSWRHIVDG-RDGPPVDQSA-N 0 3 361.482 2.604 50 0 FFAAHN Cc1c2cccc(C)c2n(C)c1C(=O)NCC1(CN2CCN(C)CC2)CC1 ZINC000216440236 509261376 /nfs/dbraw/zinc/26/13/76/509261376.db2.gz CUOLBLSIZQDALG-UHFFFAOYSA-N 0 3 368.525 2.553 50 0 FFAAHN CN(C)C[C@H](C(=O)NCCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000225471099 509373480 /nfs/dbraw/zinc/37/34/80/509373480.db2.gz UQNSQXKARCEHBF-NRFANRHFSA-N 0 3 362.477 2.876 50 0 FFAAHN COc1ccc([C@H](CO)N(C)CCCN(C)C(=O)OC(C)(C)C)cc1 ZINC000225494005 509373857 /nfs/dbraw/zinc/37/38/57/509373857.db2.gz RGSGCULMMZWKKN-KRWDZBQOSA-N 0 3 352.475 2.917 50 0 FFAAHN CN1CC[C@H](CNC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)C1 ZINC000225484434 509374515 /nfs/dbraw/zinc/37/45/15/509374515.db2.gz IHJKJAKYOWXSFN-LLVKDONJSA-N 0 3 353.253 2.861 50 0 FFAAHN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1cc[n+]([O-])cc1 ZINC000225759420 509388280 /nfs/dbraw/zinc/38/82/80/509388280.db2.gz WMAPUFRVQVETRM-FCHUYYIVSA-N 0 3 373.456 2.718 50 0 FFAAHN CCN(CC)[C@H](CNC(=O)Nc1cc(N(C)C)ncn1)c1ccsc1 ZINC000225849821 509391150 /nfs/dbraw/zinc/39/11/50/509391150.db2.gz MTFKXZXFRFUTFU-CQSZACIVSA-N 0 3 362.503 2.809 50 0 FFAAHN CC(=O)Nc1cccc(NC(=O)CCN2CC(N3CCCC[C@H]3C)C2)c1 ZINC000240499925 509841703 /nfs/dbraw/zinc/84/17/03/509841703.db2.gz NOVPQUZEXJODGV-OAHLLOKOSA-N 0 3 358.486 2.532 50 0 FFAAHN CC(=O)Nc1cccc(NC(=O)CCN2CC(N3CCCC[C@@H]3C)C2)c1 ZINC000240499924 509841900 /nfs/dbraw/zinc/84/19/00/509841900.db2.gz NOVPQUZEXJODGV-HNNXBMFYSA-N 0 3 358.486 2.532 50 0 FFAAHN C[C@@H]1C[C@H]1c1ccc(CN(C)C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)o1 ZINC000252549873 509853061 /nfs/dbraw/zinc/85/30/61/509853061.db2.gz RWCYVBIUJOGGJB-HXFPYSNGSA-N 0 3 356.470 2.788 50 0 FFAAHN CO[C@]12CCN(Cc3[nH]nc4ncccc34)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000299758987 511669585 /nfs/dbraw/zinc/66/95/85/511669585.db2.gz GIMMPVRXECCXLS-MOXGXCLJSA-N 0 3 356.470 2.897 50 0 FFAAHN CCCc1ncncc1C(=O)NCC1CCN(Cc2ccc(C)o2)CC1 ZINC000299758325 511669648 /nfs/dbraw/zinc/66/96/48/511669648.db2.gz ODWCFUIAFGZXJR-UHFFFAOYSA-N 0 3 356.470 2.973 50 0 FFAAHN CN1CCN(CC[C@H]2CCCCN2C(=O)Nc2cccc3n[nH]cc32)CC1 ZINC000299784880 511680613 /nfs/dbraw/zinc/68/06/13/511680613.db2.gz IGCFVTKVEUSRFL-MRXNPFEDSA-N 0 3 370.501 2.587 50 0 FFAAHN CO[C@H]1CC[C@@]2(OC)CCN(Cc3cnc(C(F)(F)F)nc3C)[C@H]2C1 ZINC000299791488 511682076 /nfs/dbraw/zinc/68/20/76/511682076.db2.gz DCWISOMKLIIZRN-OFQRWUPVSA-N 0 3 359.392 2.962 50 0 FFAAHN NC(=O)C1CCN(CCCNC(=O)c2cccc(-c3ccccc3)c2)CC1 ZINC000299791220 511682728 /nfs/dbraw/zinc/68/27/28/511682728.db2.gz CTIQVRCCPAHBTO-UHFFFAOYSA-N 0 3 365.477 2.671 50 0 FFAAHN CN1CCN(CC[C@@H]2CCCCN2C(=O)NC2(c3ccccc3)CC2)CC1 ZINC000426389518 513925175 /nfs/dbraw/zinc/92/51/75/513925175.db2.gz VTMYIRGSLQYMEN-FQEVSTJZSA-N 0 3 370.541 2.877 50 0 FFAAHN COCCN1CC[C@@H](CNC(=O)c2ccc(-c3ccc(F)cn3)cc2)C1 ZINC000426563207 513981953 /nfs/dbraw/zinc/98/19/53/513981953.db2.gz HLEYNQRWLJRGSA-HNNXBMFYSA-N 0 3 357.429 2.586 50 0 FFAAHN C[C@H]1CCCCN1C1CN(C(=O)NCc2ccc(N3CCCC3=O)cc2)C1 ZINC000426597196 513991465 /nfs/dbraw/zinc/99/14/65/513991465.db2.gz IPIRGLSUSOGXKP-INIZCTEOSA-N 0 3 370.497 2.582 50 0 FFAAHN Cc1ccsc1CN(CCN(C)C)C(=O)NCCC1(O)CCCC1 ZINC000534589552 517955680 /nfs/dbraw/zinc/95/56/80/517955680.db2.gz BTWRHBNOBZENKZ-UHFFFAOYSA-N 0 3 353.532 2.825 50 0 FFAAHN CC1CCN(CCNC(=O)N(Cc2ccncc2)C[C@H]2CCCO2)CC1 ZINC000534647934 517981116 /nfs/dbraw/zinc/98/11/16/517981116.db2.gz LRGRZSCQFUQZJT-LJQANCHMSA-N 0 3 360.502 2.504 50 0 FFAAHN Nc1ccnc(-c2ccc(C(=O)N3CCCC[C@H]3CN3CCCC3)cc2)n1 ZINC000534676953 517996047 /nfs/dbraw/zinc/99/60/47/517996047.db2.gz LBMWUIMNNPIELB-SFHVURJKSA-N 0 3 365.481 2.647 50 0 FFAAHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC1(c2cc(F)cc(F)c2)CC1 ZINC000584887991 518524054 /nfs/dbraw/zinc/52/40/54/518524054.db2.gz JSPQJVBHNAYNJG-KRWDZBQOSA-N 0 3 367.440 2.706 50 0 FFAAHN CN1CCC(O)(Cn2cnc3cc(-c4ccc(F)cc4)sc3c2=O)CC1 ZINC000584899885 518529727 /nfs/dbraw/zinc/52/97/27/518529727.db2.gz WZCAMTHWKLCPGM-UHFFFAOYSA-N 0 3 373.453 2.721 50 0 FFAAHN CCN1CCC[C@H](NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000065512746 521646336 /nfs/dbraw/zinc/64/63/36/521646336.db2.gz YKGYPPPLFIGAJO-GJZGRUSLSA-N 0 3 366.456 2.575 50 0 FFAAHN CCN1CCN(Cc2cc(C)cc(CN(C)Cc3nc(C)no3)c2C)CC1 ZINC000216468773 521687842 /nfs/dbraw/zinc/68/78/42/521687842.db2.gz OKCLFQGMDXJONX-UHFFFAOYSA-N 0 3 371.529 2.764 50 0 FFAAHN COc1ccc(-c2cc(C(=O)N3C[C@H](N)[C@@H](c4ccc(C)o4)C3)[nH]n2)cc1 ZINC000091585963 523095566 /nfs/dbraw/zinc/09/55/66/523095566.db2.gz DXOVRZPXLCONMW-HOTGVXAUSA-N 0 3 366.421 2.554 50 0 FFAAHN CN(Cc1ccccc1)C1(CNC(=O)c2ccnn2C)Cc2ccccc2C1 ZINC000020779124 523344570 /nfs/dbraw/zinc/34/45/70/523344570.db2.gz GXEAXOBTWGYVKF-UHFFFAOYSA-N 0 3 374.488 2.820 50 0 FFAAHN CCn1nccc1C(=O)N[C@H]1CN(CCCC(F)(F)F)C[C@@H]1C1CC1 ZINC000091621519 523708960 /nfs/dbraw/zinc/70/89/60/523708960.db2.gz UVQPXRRUMWTNHW-KGLIPLIRSA-N 0 3 358.408 2.686 50 0 FFAAHN COc1ccc(CN2C[C@H]3CC[C@H](CN3CCC(=O)N3CCCC3)C2)cc1 ZINC000091663839 524042594 /nfs/dbraw/zinc/04/25/94/524042594.db2.gz ULRREGMNNXDHSF-VQTJNVASSA-N 0 3 371.525 2.604 50 0 FFAAHN C[C@H](OC[C@H]1CCCO1)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000251570223 525916955 /nfs/dbraw/zinc/91/69/55/525916955.db2.gz UPTWBXKKHIEQIT-GVDBMIGSSA-N 0 3 366.527 2.660 50 0 FFAAHN NC(=O)C[C@H]1CCCCN1C(=O)c1cccc(CN2CCCCCC2)c1 ZINC000020256064 526908543 /nfs/dbraw/zinc/90/85/43/526908543.db2.gz OCFDQVYULNBYEH-LJQANCHMSA-N 0 3 357.498 2.933 50 0 FFAAHN Cc1nc2c(ncnc2NC[C@H]2C[C@@H](CO)N(C)[C@H]2c2ccccc2F)o1 ZINC000091503805 527102208 /nfs/dbraw/zinc/10/22/08/527102208.db2.gz UTLLDIJZXFVGLU-IIYDPXPESA-N 0 3 371.416 2.531 50 0 FFAAHN CCCc1cnc(C)nc1N1CCC[C@@]2(CCC(=O)N(CCN(C)C)C2)C1 ZINC000072457918 535437621 /nfs/dbraw/zinc/43/76/21/535437621.db2.gz NEBKFGGBZKZDFF-NRFANRHFSA-N 0 3 373.545 2.508 50 0 FFAAHN O=C(CSC12CC3CC(CC(C3)C1)C2)NCCCN1CCC[C@H](O)C1 ZINC000670437128 571347053 /nfs/dbraw/zinc/34/70/53/571347053.db2.gz OKLXDUZCKHODHE-AZRLCKCBSA-N 0 3 366.571 2.651 50 0 FFAAHN O=c1cc(C2CC2)nc(-c2ccc(C[N@@H+]3CC[C@H](n4ccnc4)C3)cc2)[n-]1 ZINC000023153363 967198211 /nfs/dbraw/zinc/19/82/11/967198211.db2.gz HKLVEJJRVUFQRH-SFHVURJKSA-N 0 3 361.449 2.958 50 0 FFAAHN O=c1cc(C2CC2)nc(-c2ccc(C[N@H+]3CC[C@H](n4ccnc4)C3)cc2)[n-]1 ZINC000023153363 967198218 /nfs/dbraw/zinc/19/82/18/967198218.db2.gz HKLVEJJRVUFQRH-SFHVURJKSA-N 0 3 361.449 2.958 50 0 FFAAHN CC(=O)Nc1ccc(CN[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)cc1 ZINC000012744732 988379238 /nfs/dbraw/zinc/37/92/38/988379238.db2.gz YOBAXNCKOLUSMP-IBGZPJMESA-N 0 3 355.413 2.675 50 0 FFAAHN CC(=O)Nc1ccc(CN[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)cc1 ZINC000012744735 988379916 /nfs/dbraw/zinc/37/99/16/988379916.db2.gz YOBAXNCKOLUSMP-LJQANCHMSA-N 0 3 355.413 2.675 50 0 FFAAHN Cc1cccnc1CN(C)C[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000012306659 988519132 /nfs/dbraw/zinc/51/91/32/988519132.db2.gz IFYALVVXITWIEL-OAQYLSRUSA-N 0 3 371.456 2.515 50 0 FFAAHN C[C@H](c1nc(Cc2cccs2)nn1-c1ccncc1)N1CCN(C)CC1 ZINC000823789434 999085644 /nfs/dbraw/zinc/08/56/44/999085644.db2.gz PTFWZJWYLPBLQJ-OAHLLOKOSA-N 0 3 368.510 2.623 50 0 FFAAHN CN(C)Cc1cccc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c1 ZINC000952974295 1011018603 /nfs/dbraw/zinc/01/86/03/1011018603.db2.gz AKRCWHLMNHZVRT-UHFFFAOYSA-N 0 3 351.450 2.822 50 0 FFAAHN C[C@H]1C[C@H]1c1noc(CC2CCN(C(=O)C3(N)CC4(CCC4)C3)CC2)n1 ZINC000659328024 1026006441 /nfs/dbraw/zinc/00/64/41/1026006441.db2.gz IVYHOHHVEWGHCQ-DZGCQCFKSA-N 0 3 358.486 2.636 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(I)cc1 ZINC000042200301 209253782 /nfs/dbraw/zinc/25/37/82/209253782.db2.gz LQVJJPZEJBTFAF-ZDUSSCGKSA-N 0 3 358.223 2.505 50 0 FFAAHN CN(C)c1ccc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)cn1 ZINC000097711691 209192804 /nfs/dbraw/zinc/19/28/04/209192804.db2.gz ZXPZSLSIRNCILZ-LJQANCHMSA-N 0 3 352.482 2.757 50 0 FFAAHN Cc1ccc(CN2CCC(CNC(=O)c3ccc(N(C)C)nc3)CC2)o1 ZINC000097660306 209191536 /nfs/dbraw/zinc/19/15/36/209191536.db2.gz USTOMHGHUODZLC-UHFFFAOYSA-N 0 3 356.470 2.691 50 0 FFAAHN Cc1ccc([C@H](CNC(=O)c2cc(C(F)(F)F)nn2C)N(C)C)cc1 ZINC000097495533 209182527 /nfs/dbraw/zinc/18/25/27/209182527.db2.gz ZYSYVMNKWAHSAQ-AWEZNQCLSA-N 0 3 354.376 2.780 50 0 FFAAHN CN(C)C1=NC2(CCN(Cc3ccc(-c4ccccc4)cc3)CC2)C(=O)N1 ZINC000097370524 209180515 /nfs/dbraw/zinc/18/05/15/209180515.db2.gz AUEWPACOTNRPGE-UHFFFAOYSA-N 0 3 362.477 2.736 50 0 FFAAHN O=C(NCCc1nnc2ccccn21)c1ccc(CN2CCCCC2)cc1 ZINC000008774748 207249312 /nfs/dbraw/zinc/24/93/12/207249312.db2.gz ORLIZJCQESSINT-UHFFFAOYSA-N 0 3 363.465 2.688 50 0 FFAAHN CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1cnsn1 ZINC000012439613 207377118 /nfs/dbraw/zinc/37/71/18/207377118.db2.gz YPODPTQGVUMUAS-CQSZACIVSA-N 0 3 362.474 2.704 50 0 FFAAHN CCOC(=O)c1nc2onc(C)c2c(NCCN(C)Cc2ccccc2)n1 ZINC000035534911 208130340 /nfs/dbraw/zinc/13/03/40/208130340.db2.gz RTYVLGBFYZBZHC-UHFFFAOYSA-N 0 3 369.425 2.647 50 0 FFAAHN COc1cccc(CN(C[C@@H](O)COC(C)(C)C)C[C@@H]2CCCO2)c1 ZINC000036100298 208147246 /nfs/dbraw/zinc/14/72/46/208147246.db2.gz XAGUPTFYZWMLEZ-MJGOQNOKSA-N 0 3 351.487 2.852 50 0 FFAAHN CCC(CC)N1CCN(Cc2cc(OC)cc(OC)c2)[C@H](CCO)C1 ZINC000039364609 208209914 /nfs/dbraw/zinc/20/99/14/208209914.db2.gz XJSVODVSYHMKSY-GOSISDBHSA-N 0 3 350.503 2.761 50 0 FFAAHN Cc1c(=O)[n-]c(-c2ccc(CN3CC[NH2+]CC3)cc2)nc1C(F)(F)F ZINC000048284541 208396754 /nfs/dbraw/zinc/39/67/54/208396754.db2.gz AKJLUJSURYTVHF-UHFFFAOYSA-N 0 3 352.360 2.582 50 0 FFAAHN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)Cc1ccccc1C(F)(F)F)C2 ZINC000091877232 209001651 /nfs/dbraw/zinc/00/16/51/209001651.db2.gz KXQVEKLCHHXQOZ-GDBMZVCRSA-N 0 3 370.415 2.817 50 0 FFAAHN COc1cc(Cl)c(CN2CC[C@]3(C2)CCCN(C)C3=O)c(OC)c1 ZINC000091876718 209003011 /nfs/dbraw/zinc/00/30/11/209003011.db2.gz DKORPCPCUBPWES-SFHVURJKSA-N 0 3 352.862 2.802 50 0 FFAAHN CCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2cc(C)no2)CC1 ZINC000091943335 209004915 /nfs/dbraw/zinc/00/49/15/209004915.db2.gz LJJHUJUATZUWNV-UHFFFAOYSA-N 0 3 369.473 2.527 50 0 FFAAHN CS[C@@H]1CN(C(=O)Nc2ccccc2-n2nc(C)cc2C)C[C@H]1N(C)C ZINC000095996481 209094966 /nfs/dbraw/zinc/09/49/66/209094966.db2.gz TUGVWROBPVINMS-QZTJIDSGSA-N 0 3 373.526 2.998 50 0 FFAAHN COc1ccc(C(=O)N2CCC(c3nccn3CCN(C)C)CC2)c(C)c1 ZINC000091997911 209011464 /nfs/dbraw/zinc/01/14/64/209011464.db2.gz GCQZFORMYWAFIM-UHFFFAOYSA-N 0 3 370.497 2.782 50 0 FFAAHN COc1ccc2[nH]c(CNC(=O)[C@H]3CCCN(Cc4ccco4)C3)nc2c1 ZINC000095355645 209023774 /nfs/dbraw/zinc/02/37/74/209023774.db2.gz JGKXWPBNOMOHAJ-AWEZNQCLSA-N 0 3 368.437 2.693 50 0 FFAAHN Cc1cc(CN2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)ccc1F ZINC000095354436 209024935 /nfs/dbraw/zinc/02/49/35/209024935.db2.gz OVNSQTFPSRNJAP-KRWDZBQOSA-N 0 3 368.460 2.887 50 0 FFAAHN CCc1nccn1CC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000095369145 209033657 /nfs/dbraw/zinc/03/36/57/209033657.db2.gz BRQDGHFWRPMEJO-RBUKOAKNSA-N 0 3 352.482 2.569 50 0 FFAAHN O=C(c1ccc(CO)cc1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095372223 209035300 /nfs/dbraw/zinc/03/53/00/209035300.db2.gz AUPQQEVTEAEYJG-TZIWHRDSSA-N 0 3 350.462 2.916 50 0 FFAAHN c1cnn(-c2ccc(CN3C[C@H]4CC[C@@H]3CN(C3CCOCC3)C4)cc2)c1 ZINC000095374626 209036285 /nfs/dbraw/zinc/03/62/85/209036285.db2.gz KNHXFIDSXYVWSZ-DENIHFKCSA-N 0 3 366.509 2.948 50 0 FFAAHN CN(C)c1ncc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)cn1 ZINC000095375038 209037073 /nfs/dbraw/zinc/03/70/73/209037073.db2.gz WXTYVONZAXTHFZ-FXAWDEMLSA-N 0 3 369.488 2.778 50 0 FFAAHN Cc1noc(C)c1CN1CC2(CC1=O)CCN(Cc1ccccn1)CC2 ZINC000095391464 209047553 /nfs/dbraw/zinc/04/75/53/209047553.db2.gz APDLPIKIMRLAKZ-UHFFFAOYSA-N 0 3 354.454 2.701 50 0 FFAAHN COc1ccc([C@@H]2CN(Cc3ccccc3OC)C[C@H]2NC(C)=O)cc1 ZINC000095506173 209064976 /nfs/dbraw/zinc/06/49/76/209064976.db2.gz ZMHXFUKVCXHXRQ-VQTJNVASSA-N 0 3 354.450 2.808 50 0 FFAAHN Cc1cc(C(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)ccc1[O-] ZINC000095513152 209070028 /nfs/dbraw/zinc/07/00/28/209070028.db2.gz PVKGYHOVBDHMCJ-SFHVURJKSA-N 0 3 370.497 2.869 50 0 FFAAHN CCn1cc(CN2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cn1 ZINC000023375516 136152822 /nfs/dbraw/zinc/15/28/22/136152822.db2.gz WLIJDMRSCCHCBE-NRFANRHFSA-N 0 3 367.541 2.998 50 0 FFAAHN COc1ccc(NC(C)=O)cc1NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000095526692 209075199 /nfs/dbraw/zinc/07/51/99/209075199.db2.gz BDNWCVZDYVPJBL-INIZCTEOSA-N 0 3 360.458 2.746 50 0 FFAAHN COc1ccc(C)c(NC(=O)N2CCC([C@H](C)N3CCN(C)CC3)CC2)c1 ZINC000095524972 209076202 /nfs/dbraw/zinc/07/62/02/209076202.db2.gz NSKCIRSSVDDPMW-KRWDZBQOSA-N 0 3 374.529 2.883 50 0 FFAAHN CC(C)CN1CCc2nc[nH]c2C12CCN(C(=O)c1cncc(F)c1)CC2 ZINC000095530213 209079688 /nfs/dbraw/zinc/07/96/88/209079688.db2.gz GBKGQEUBHFIJCR-UHFFFAOYSA-N 0 3 371.460 2.589 50 0 FFAAHN COc1ccccc1N1CCN(C2CCN(Cc3ccccn3)CC2)CC1 ZINC000001167858 506251450 /nfs/dbraw/zinc/25/14/50/506251450.db2.gz WCJLQSZSUJQJNV-UHFFFAOYSA-N 0 3 366.509 2.877 50 0 FFAAHN Cc1ccc2c(cc(NC(=O)C(C)C)cc2C(=O)NC2CCN(C)CC2)n1 ZINC000065135994 506263555 /nfs/dbraw/zinc/26/35/55/506263555.db2.gz HWGRHMFJDDVHNR-UHFFFAOYSA-N 0 3 368.481 2.962 50 0 FFAAHN CN(C)CCNC(=O)c1cccc2c1CCN2C(=O)Nc1ccc(F)cc1 ZINC000065210166 506270246 /nfs/dbraw/zinc/27/02/46/506270246.db2.gz UWIUVXYIWYURTF-UHFFFAOYSA-N 0 3 370.428 2.712 50 0 FFAAHN COc1ccccc1-c1nc(-c2ccc3c(c2)nnn3CCN(C)C)no1 ZINC000065254986 506276164 /nfs/dbraw/zinc/27/61/64/506276164.db2.gz VJPZSBUSKQUEAJ-UHFFFAOYSA-N 0 3 364.409 2.719 50 0 FFAAHN O=C(NC1CCCC1)c1cccnc1N1CCN[C@@H](c2ccccc2)C1 ZINC000065255761 506276604 /nfs/dbraw/zinc/27/66/04/506276604.db2.gz QJFBLVZSUKISGN-LJQANCHMSA-N 0 3 350.466 2.905 50 0 FFAAHN O=C(NC1CCCC1)c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1 ZINC000065256250 506277423 /nfs/dbraw/zinc/27/74/23/506277423.db2.gz SRDRIBVNSLKWTI-LJQANCHMSA-N 0 3 350.466 2.905 50 0 FFAAHN CCNc1cc(NCCNC(=O)Nc2ccc(F)cc2F)nc(C)n1 ZINC000065364520 506288094 /nfs/dbraw/zinc/28/80/94/506288094.db2.gz XOCJNAQBDLDLHH-UHFFFAOYSA-N 0 3 350.373 2.729 50 0 FFAAHN CN1CCC(n2ncc3c2NC(=O)C[C@H]3COCc2ccccc2)CC1 ZINC000065369796 506290120 /nfs/dbraw/zinc/29/01/20/506290120.db2.gz QYZSZQIEOHBMIA-INIZCTEOSA-N 0 3 354.454 2.792 50 0 FFAAHN C[C@@H]1CCCCN1C1CN(Cc2ccc(C(=O)Nc3cnn(C)c3)cc2)C1 ZINC000065373719 506291233 /nfs/dbraw/zinc/29/12/33/506291233.db2.gz AOMKNGHCNBVKRX-MRXNPFEDSA-N 0 3 367.497 2.731 50 0 FFAAHN CCCc1cncnc1N1CCN(C2CCN(Cc3ccco3)CC2)CC1 ZINC000065398711 506293401 /nfs/dbraw/zinc/29/34/01/506293401.db2.gz QJZJLRYXYVPOMP-UHFFFAOYSA-N 0 3 369.513 2.809 50 0 FFAAHN NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)c2ccc(F)c(F)c2)C1 ZINC000065474818 506307393 /nfs/dbraw/zinc/30/73/93/506307393.db2.gz QQWNYLJZNRJUDS-HNNXBMFYSA-N 0 3 373.403 2.914 50 0 FFAAHN COc1ccc(NC(=O)c2ccc(NC(=S)NCCN(C)C)cc2)cc1 ZINC000003318185 506320188 /nfs/dbraw/zinc/32/01/88/506320188.db2.gz IZPKENWHJCPYDC-UHFFFAOYSA-N 0 3 372.494 2.796 50 0 FFAAHN CN(C)[C@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000003438841 506330909 /nfs/dbraw/zinc/33/09/09/506330909.db2.gz RIKZNKZTRFXPAQ-LJQANCHMSA-N 0 3 351.450 2.846 50 0 FFAAHN C[C@@H](N[C@H](Cc1ccccc1)c1ccccc1)C(=O)NC(=O)NC1CC1 ZINC000040017907 506457899 /nfs/dbraw/zinc/45/78/99/506457899.db2.gz FNXMLIZQKCYOFS-DNVCBOLYSA-N 0 3 351.450 2.937 50 0 FFAAHN COc1cc2nc(NCCN3CCC[C@H](CO)C3)cc(C)c2cc1OC ZINC000055284174 506718768 /nfs/dbraw/zinc/71/87/68/506718768.db2.gz XJQYETOGFCNBNX-HNNXBMFYSA-N 0 3 359.470 2.677 50 0 FFAAHN CSc1nnc(CC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)n1C ZINC000055340854 506730462 /nfs/dbraw/zinc/73/04/62/506730462.db2.gz JVPFRIXYPTVJTO-UHFFFAOYSA-N 0 3 373.526 2.950 50 0 FFAAHN CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCC[C@@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000013450821 506940687 /nfs/dbraw/zinc/94/06/87/506940687.db2.gz ZPZXBSYRQXXUMN-SNRMKQJTSA-N 0 3 369.465 2.932 50 0 FFAAHN COc1cc(CNCCO)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000014187110 506975842 /nfs/dbraw/zinc/97/58/42/506975842.db2.gz QDEPONFBVQLNBN-UHFFFAOYSA-N 0 3 372.465 2.720 50 0 FFAAHN O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CNCc1ccc(F)cc1 ZINC000067725662 506990280 /nfs/dbraw/zinc/99/02/80/506990280.db2.gz QUQMFACHZLAZFZ-JOCHJYFZSA-N 0 3 370.468 2.902 50 0 FFAAHN CN1CC[C@@]2(C1)CCCN(S(=O)(=O)c1ccc(-c3cnco3)s1)C2 ZINC000067726045 506990796 /nfs/dbraw/zinc/99/07/96/506990796.db2.gz BWTPHHQHXFWYDW-MRXNPFEDSA-N 0 3 367.496 2.510 50 0 FFAAHN COc1cccc(CCN2C(=O)CC[C@@H]2CCNCc2ccccn2)c1 ZINC000014999305 507011817 /nfs/dbraw/zinc/01/18/17/507011817.db2.gz YZEUHQXHGWIZCE-LJQANCHMSA-N 0 3 353.466 2.804 50 0 FFAAHN CC(C)(C)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000015377236 507037675 /nfs/dbraw/zinc/03/76/75/507037675.db2.gz FLJWBNNLMKVVQK-UHFFFAOYSA-N 0 3 367.515 2.578 50 0 FFAAHN COc1ccc(N2C(=O)C[C@H](NCCc3ccc(Cl)cc3)C2=O)cc1 ZINC000018116307 507139351 /nfs/dbraw/zinc/13/93/51/507139351.db2.gz MBXXEZUYTNFOFM-KRWDZBQOSA-N 0 3 358.825 2.813 50 0 FFAAHN NS(=O)(=O)c1ccc(CCNCc2cccc(Cl)c2Cl)cc1 ZINC000019872019 507204023 /nfs/dbraw/zinc/20/40/23/507204023.db2.gz VKFBIRWRDUTIPR-UHFFFAOYSA-N 0 3 359.278 2.973 50 0 FFAAHN Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c1 ZINC000021795041 507268852 /nfs/dbraw/zinc/26/88/52/507268852.db2.gz DITNJOGEZNTENI-UHFFFAOYSA-N 0 3 368.485 2.822 50 0 FFAAHN CN(C)[C@@H](CNC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccccc1 ZINC000022315325 507289035 /nfs/dbraw/zinc/28/90/35/507289035.db2.gz VELVQVQPBDCZIC-QUCCMNQESA-N 0 3 365.477 2.997 50 0 FFAAHN COCCn1c(C)cc(O)c([C@H](c2ccccn2)N2CCC(C)CC2)c1=O ZINC000022697819 507305411 /nfs/dbraw/zinc/30/54/11/507305411.db2.gz RSERGTVWKTYGDL-FQEVSTJZSA-N 0 3 371.481 2.725 50 0 FFAAHN COc1ccc2cc(CN3CCC(n4cc(CO)nn4)CC3)ccc2c1 ZINC000023398626 507351166 /nfs/dbraw/zinc/35/11/66/507351166.db2.gz YDDDNKOYYPCYRY-UHFFFAOYSA-N 0 3 352.438 2.769 50 0 FFAAHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1COc2ccccc2O1 ZINC000058185781 507381690 /nfs/dbraw/zinc/38/16/90/507381690.db2.gz CAEFMVREOBQSIA-KXBFYZLASA-N 0 3 372.490 2.916 50 0 FFAAHN CNC(=O)c1ccc(CN(C)C(=O)[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000058311131 507403220 /nfs/dbraw/zinc/40/32/20/507403220.db2.gz GMKIWHYTVAQDFP-HXUWFJFHSA-N 0 3 365.477 2.669 50 0 FFAAHN CN(C)CCSc1nnc2n1c1ccccc1c(=O)n2-c1ccccc1 ZINC000071282819 507700972 /nfs/dbraw/zinc/70/09/72/507700972.db2.gz PBALFBOZSYRSQT-UHFFFAOYSA-N 0 3 365.462 2.687 50 0 FFAAHN Cc1ccc([C@@H]2CN(C(=O)c3ccc(CO)o3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072138663 507754331 /nfs/dbraw/zinc/75/43/31/507754331.db2.gz MUGPHYYBIIQPSU-CEWLAPEOSA-N 0 3 366.461 2.783 50 0 FFAAHN COc1ccc([C@@H]2CN(c3nccnc3C)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072157085 507762627 /nfs/dbraw/zinc/76/26/27/507762627.db2.gz HBDKXRKRBPVYEF-XUVXKRRUSA-N 0 3 350.466 2.860 50 0 FFAAHN O=C1NCCN1c1ccc(CN2CCC[C@H](OCc3ccccn3)C2)cc1 ZINC000072167529 507767806 /nfs/dbraw/zinc/76/78/06/507767806.db2.gz FJMIPBBOXIWTPK-FQEVSTJZSA-N 0 3 366.465 2.792 50 0 FFAAHN CCNc1ncc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cn1 ZINC000072407175 507784198 /nfs/dbraw/zinc/78/41/98/507784198.db2.gz ZUKXOCOIYURSLZ-UHFFFAOYSA-N 0 3 369.513 2.635 50 0 FFAAHN Cc1ccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]cn3)C2)s1 ZINC000072411024 507785581 /nfs/dbraw/zinc/78/55/81/507785581.db2.gz VQZRIVMAOHIFFD-MAUKXSAKSA-N 0 3 358.511 2.835 50 0 FFAAHN c1cn(CCc2nc3c(s2)CCCC3)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072417860 507786536 /nfs/dbraw/zinc/78/65/36/507786536.db2.gz PRRHICVDONWAOH-UHFFFAOYSA-N 0 3 368.510 2.818 50 0 FFAAHN Cc1cccc(CN2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)n1 ZINC000072423685 507787748 /nfs/dbraw/zinc/78/77/48/507787748.db2.gz SROLZNYFPPZWOG-SFHVURJKSA-N 0 3 368.529 2.884 50 0 FFAAHN Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000072436076 507791243 /nfs/dbraw/zinc/79/12/43/507791243.db2.gz ILXIXKBUULCNLA-SFHVURJKSA-N 0 3 369.513 2.886 50 0 FFAAHN Cc1nc(N)sc1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072438660 507792167 /nfs/dbraw/zinc/79/21/67/507792167.db2.gz KSKLZBMKTXQNAG-UHFFFAOYSA-N 0 3 360.527 2.760 50 0 FFAAHN COc1cccc(C(=O)NCCCN2CCc3ccccc3C2)c1OC ZINC000029838864 507792590 /nfs/dbraw/zinc/79/25/90/507792590.db2.gz XQKBZIMWTASNKD-UHFFFAOYSA-N 0 3 354.450 2.882 50 0 FFAAHN Cc1c(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)cnn1C ZINC000072463062 507794113 /nfs/dbraw/zinc/79/41/13/507794113.db2.gz RNQJWVIOZNBPMQ-QFBILLFUSA-N 0 3 372.538 2.846 50 0 FFAAHN Cc1nc[nH]c1CN1C[C@H](O)[C@@H](N(C)CCCSc2ccc(C)cc2)C1 ZINC000072478032 507796851 /nfs/dbraw/zinc/79/68/51/507796851.db2.gz YFLIDHGENXCNTE-PMACEKPBSA-N 0 3 374.554 2.686 50 0 FFAAHN O=C1CCC2(CCN(CCc3ccccn3)CC2)CN1C[C@H]1CCCO1 ZINC000091602571 507995842 /nfs/dbraw/zinc/99/58/42/507995842.db2.gz PPACYCXLVOVANZ-LJQANCHMSA-N 0 3 357.498 2.508 50 0 FFAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccccc1)C2 ZINC000082087134 508224719 /nfs/dbraw/zinc/22/47/19/508224719.db2.gz KQMNOVZKEPVSBC-SJBKTWHCSA-N 0 3 372.509 2.666 50 0 FFAAHN O=c1cc(C[NH+]2CCCCC2)nc2[n-]c(NCc3ccc(Cl)cc3)nn21 ZINC000101795840 508257363 /nfs/dbraw/zinc/25/73/63/508257363.db2.gz FMCWVAATYAFVFK-UHFFFAOYSA-N 0 3 372.860 2.669 50 0 FFAAHN O=C1CCCN1CC[C@@H]1CCCCN1Cc1cnc(-c2ccccn2)nc1 ZINC000077285584 508295366 /nfs/dbraw/zinc/29/53/66/508295366.db2.gz ICDBAGAXTNWYRJ-SFHVURJKSA-N 0 3 365.481 2.906 50 0 FFAAHN O=C(c1cnc2ccccn12)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000077320639 508300068 /nfs/dbraw/zinc/30/00/68/508300068.db2.gz UYGCWCDQGXEDSX-UHFFFAOYSA-N 0 3 360.461 2.650 50 0 FFAAHN Cc1ccc([C@@H]2CN(C(=O)CN3CCc4ccccc43)C[C@H]2N(C)C)cc1 ZINC000077406352 508311902 /nfs/dbraw/zinc/31/19/02/508311902.db2.gz BYSYPKPXGFOPJY-RBBKRZOGSA-N 0 3 363.505 2.914 50 0 FFAAHN CN(C)c1ncc(CN2CCCN(C3Cc4ccccc4C3)CC2)s1 ZINC000077540866 508330778 /nfs/dbraw/zinc/33/07/78/508330778.db2.gz RNPNQOMYVYHZME-UHFFFAOYSA-N 0 3 356.539 2.884 50 0 FFAAHN COc1cc(NC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)ccc1NC(C)=O ZINC000106089331 508392079 /nfs/dbraw/zinc/39/20/79/508392079.db2.gz RANSMMGBAZSOBX-UONOGXRCSA-N 0 3 362.474 2.896 50 0 FFAAHN C[C@@H]1C[C@@H](C)CN(CCNC(=O)[C@H]2CC(c3ccc(Cl)s3)=NO2)C1 ZINC000106752740 508404136 /nfs/dbraw/zinc/40/41/36/508404136.db2.gz BHFAXSIHOROYLX-YRGRVCCFSA-N 0 3 369.918 2.989 50 0 FFAAHN Cn1ncc2c1ncnc2SC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000170617577 509680967 /nfs/dbraw/zinc/68/09/67/509680967.db2.gz AINURXQSXALHPL-MRXNPFEDSA-N 0 3 369.494 2.747 50 0 FFAAHN CCN(CCNC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)C1CC1 ZINC000181013195 510238752 /nfs/dbraw/zinc/23/87/52/510238752.db2.gz LFZIKJFZCQPXLG-UHFFFAOYSA-N 0 3 373.423 2.733 50 0 FFAAHN O=C(c1cccc(CN[C@H]2CCC(=O)NC23CCC3)c1)N1CCCCC1 ZINC000282865528 511140700 /nfs/dbraw/zinc/14/07/00/511140700.db2.gz UGEVYBCJBKNIQV-SFHVURJKSA-N 0 3 355.482 2.604 50 0 FFAAHN CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C12CCOCC2 ZINC000332966830 511164236 /nfs/dbraw/zinc/16/42/36/511164236.db2.gz ZMPIEVRJHIMXCW-KZNAEPCWSA-N 0 3 352.519 2.587 50 0 FFAAHN CCS(=O)(=O)C(C)C(=O)N1CCC(Oc2cccc(Cl)c2)CC1 ZINC000299762585 511671885 /nfs/dbraw/zinc/67/18/85/511671885.db2.gz NZORMCYDXZKLNJ-GFCCVEGCSA-N 0 3 359.875 2.533 50 0 FFAAHN CN(C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1cccc(O)c1)CCO2 ZINC000299775773 511675946 /nfs/dbraw/zinc/67/59/46/511675946.db2.gz JLQCIGIXAXLMBW-NRFANRHFSA-N 0 3 356.466 2.556 50 0 FFAAHN Cc1noc(C)c1-c1cccc(C(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)c1 ZINC000299774891 511676572 /nfs/dbraw/zinc/67/65/72/511676572.db2.gz JKLNTTLVEPJDFI-OALUTQOASA-N 0 3 369.465 2.630 50 0 FFAAHN CN(CC(=O)NC[C@@H](c1ccccc1)N1CCCCC1)Cc1ccccn1 ZINC000299780187 511678746 /nfs/dbraw/zinc/67/87/46/511678746.db2.gz RXKKWKMTVRPJBF-NRFANRHFSA-N 0 3 366.509 2.857 50 0 FFAAHN COc1cccc([C@H]2CN(C(=O)c3ccccc3CN(C)C)CCO2)c1 ZINC000365855910 511689843 /nfs/dbraw/zinc/68/98/43/511689843.db2.gz LWWKPNFOLXCTRM-HXUWFJFHSA-N 0 3 354.450 2.971 50 0 FFAAHN Cc1nccn1CCNC(=O)N(C)Cc1ccccc1CN1CCCC1 ZINC000426398015 513927768 /nfs/dbraw/zinc/92/77/68/513927768.db2.gz GFWUCZMUJYWCRQ-UHFFFAOYSA-N 0 3 355.486 2.629 50 0 FFAAHN O=C(NCCN1CCC[C@H](CO)C1)c1cccc(-c2ncccc2Cl)c1 ZINC000426491611 513957984 /nfs/dbraw/zinc/95/79/84/513957984.db2.gz XXWSWSNJRBFGDV-HNNXBMFYSA-N 0 3 373.884 2.836 50 0 FFAAHN O=C(c1ccc(-c2cncnc2)cc1)N1CCC(N2CCSCC2)CC1 ZINC000426662333 514009628 /nfs/dbraw/zinc/00/96/28/514009628.db2.gz TUWCENPYPCTVEB-UHFFFAOYSA-N 0 3 368.506 2.797 50 0 FFAAHN O=C(NCCN1CCCC[C@H]1CO)c1ccc(-c2cc(F)ccc2O)cc1 ZINC000426730295 514026273 /nfs/dbraw/zinc/02/62/73/514026273.db2.gz CYNKKTVSBANJSW-SFHVURJKSA-N 0 3 372.440 2.775 50 0 FFAAHN CCN1CC[C@H](NC(=O)N2CCC(COc3ccc(OC)cc3)CC2)C1 ZINC000584889639 518524739 /nfs/dbraw/zinc/52/47/39/518524739.db2.gz FGFFCOVLMVCIHH-KRWDZBQOSA-N 0 3 361.486 2.590 50 0 FFAAHN CC(C)Cc1cc(CN2CC[C@]3(C2)CCCN(C2CCOCC2)C3=O)[nH]n1 ZINC000091713308 519432434 /nfs/dbraw/zinc/43/24/34/519432434.db2.gz LCSIEWRMDGFSJV-NRFANRHFSA-N 0 3 374.529 2.602 50 0 FFAAHN CC(C)Cc1cc(CN2CC[C@]3(C2)CCCN(C2CCOCC2)C3=O)n[nH]1 ZINC000091713308 519432442 /nfs/dbraw/zinc/43/24/42/519432442.db2.gz LCSIEWRMDGFSJV-NRFANRHFSA-N 0 3 374.529 2.602 50 0 FFAAHN CCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@H]1NC(C)=O ZINC000082109385 520837787 /nfs/dbraw/zinc/83/77/87/520837787.db2.gz AZMOXAFDVVTYKC-VQIMIIECSA-N 0 3 356.470 2.822 50 0 FFAAHN CCOc1ccc(C(=O)N2CCC(CN3CCN(C)C[C@@H]3C)CC2)cc1 ZINC000085468245 520894014 /nfs/dbraw/zinc/89/40/14/520894014.db2.gz UHLGRWCENHIRNJ-KRWDZBQOSA-N 0 3 359.514 2.573 50 0 FFAAHN CCOc1ccc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)cc1 ZINC000082120116 520973437 /nfs/dbraw/zinc/97/34/37/520973437.db2.gz DFCGSXOWYVDHCB-NRFANRHFSA-N 0 3 360.498 2.672 50 0 FFAAHN COc1cc(CN2CCCC[C@H]2CO)ccc1OCCN1CCCCC1 ZINC000216363612 522373545 /nfs/dbraw/zinc/37/35/45/522373545.db2.gz UTDHDBROPQRVBN-IBGZPJMESA-N 0 3 362.514 2.907 50 0 FFAAHN CN1CCC[C@@H](NC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)C1 ZINC000252467318 523817012 /nfs/dbraw/zinc/81/70/12/523817012.db2.gz CGIVYEHECPJJMJ-GDBMZVCRSA-N 0 3 350.894 2.560 50 0 FFAAHN COc1ccccc1-n1cc(CN[C@@H]2COc3c(cccc3OC)C2)cn1 ZINC000020323343 524303126 /nfs/dbraw/zinc/30/31/26/524303126.db2.gz OFNGZEPRKMVUHB-KRWDZBQOSA-N 0 3 365.433 2.983 50 0 FFAAHN COCc1cc(CNC2CCN(c3ncnc4c(C)csc43)CC2)[nH]n1 ZINC000095499059 536711905 /nfs/dbraw/zinc/71/19/05/536711905.db2.gz MDLWLXYGYDMAAZ-UHFFFAOYSA-N 0 3 372.498 2.628 50 0 FFAAHN O=C(NC1CC1)c1ccc(N2CC[C@H](NCc3ccc(Cl)cc3)C2)nc1 ZINC000049420990 570963220 /nfs/dbraw/zinc/96/32/20/570963220.db2.gz ZVHWTGSSLYYILP-SFHVURJKSA-N 0 3 370.884 2.996 50 0 FFAAHN C[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccc3c(c2)nnn3C)CC1 ZINC000116064747 571164231 /nfs/dbraw/zinc/16/42/31/571164231.db2.gz HKYGRFFHVAVBDX-HNNXBMFYSA-N 0 3 363.465 2.924 50 0 FFAAHN Cc1c(CN2CCC3(C[C@@H]3C(=O)NCc3cccs3)CC2)cnn1C ZINC000011981299 727813125 /nfs/dbraw/zinc/81/31/25/727813125.db2.gz IDJHSZWQTXDHLA-QGZVFWFLSA-N 0 3 358.511 2.709 50 0 FFAAHN C[C@@H](Cc1ccccn1)NC(=O)N(Cc1ccncc1)C1CCN(C)CC1 ZINC000426433712 977985720 /nfs/dbraw/zinc/98/57/20/977985720.db2.gz WSHRVCLZWPWIGB-KRWDZBQOSA-N 0 3 367.497 2.714 50 0 FFAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4nc(C)c[nH]4)C3)C2)c1 ZINC000012317265 988552973 /nfs/dbraw/zinc/55/29/73/988552973.db2.gz MECPFWQXEMOYDK-NRFANRHFSA-N 0 3 368.481 2.855 50 0 FFAAHN CC[C@@H]1CCCCN1CC(=O)Nc1ccc(NC(=O)CN(C)C)c(C)c1 ZINC000822718127 998925959 /nfs/dbraw/zinc/92/59/59/998925959.db2.gz JUGQQIYUFOJEKY-QGZVFWFLSA-N 0 3 360.502 2.698 50 0 FFAAHN CCCN1CCOC2(CCN(C(=O)c3cccc4c3NCCC4)CC2)C1 ZINC000822921653 998971779 /nfs/dbraw/zinc/97/17/79/998971779.db2.gz RHNOOCUWVPRWMB-UHFFFAOYSA-N 0 3 357.498 2.762 50 0 FFAAHN CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1ccccc1F)C2 ZINC000014538818 1021654701 /nfs/dbraw/zinc/65/47/01/1021654701.db2.gz BISQBZCHFSKHAK-MRXNPFEDSA-N 0 3 370.472 2.925 50 0 FFAAHN Cc1ccc(CN[C@H]2CCc3c(c(C(=O)N(C)C)nn3CC(C)C)C2)o1 ZINC000014745619 1021681690 /nfs/dbraw/zinc/68/16/90/1021681690.db2.gz VLCQZZHOFQBACC-HNNXBMFYSA-N 0 3 358.486 2.789 50 0 FFAAHN COc1ccc(OCCCN2CCC[C@@H](C(=O)c3nccn3C)C2)cc1 ZINC001506405573 1059496365 /nfs/dbraw/zinc/49/63/65/1059496365.db2.gz VMMCMXDJSUWSIG-MRXNPFEDSA-N 0 3 357.454 2.793 50 0 FFAAHN OC1CCN(c2cc(N[C@@H]3CCCN(Cc4cccs4)C3)ncn2)CC1 ZINC001529100305 1062160690 /nfs/dbraw/zinc/16/06/90/1062160690.db2.gz QEUHCYNFISOEMA-OAHLLOKOSA-N 0 3 373.526 2.576 50 0 FFAAHN Cc1nc(CC2CCN(CCC(=O)Nc3cc(F)ccc3F)CC2)no1 ZINC000244701123 209904337 /nfs/dbraw/zinc/90/43/37/209904337.db2.gz KAOXAQIRAVHYMJ-UHFFFAOYSA-N 0 3 364.396 2.940 50 0 FFAAHN CN(C)CCOc1ccccc1C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000129178493 209370743 /nfs/dbraw/zinc/37/07/43/209370743.db2.gz YIIFXIUCFHPSBQ-UHFFFAOYSA-N 0 3 372.856 2.858 50 0 FFAAHN CC(=O)c1ccc(-n2c(O)c3onc(-c4ccccc4Cl)c3c2O)cc1 ZINC000101186565 209221345 /nfs/dbraw/zinc/22/13/45/209221345.db2.gz GZKXYEPXSDABOI-WBVHZDCISA-N 0 3 368.776 2.835 50 0 FFAAHN Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)NCCN1CCCC[C@H]1CO ZINC000097785208 209196176 /nfs/dbraw/zinc/19/61/76/209196176.db2.gz SXKVDPMZYKRKKU-KRWDZBQOSA-N 0 3 357.498 2.599 50 0 FFAAHN O=C(c1ccccc1-c1ncc[nH]1)N1CCC(N2CCSCC2)CC1 ZINC000097696394 209193055 /nfs/dbraw/zinc/19/30/55/209193055.db2.gz KSOMYNPADSZROL-UHFFFAOYSA-N 0 3 356.495 2.730 50 0 FFAAHN CC(C)(CNC(=O)[C@H]1CC(=O)OC12CCCC2)N1CCc2ccccc2C1 ZINC000097532653 209183855 /nfs/dbraw/zinc/18/38/55/209183855.db2.gz KHFXMNXZBOAWBY-GOSISDBHSA-N 0 3 370.493 2.815 50 0 FFAAHN COc1cccc(CCN2CCCC2)c1NC(=O)N1CCc2n[nH]cc2C1 ZINC000097213010 209174750 /nfs/dbraw/zinc/17/47/50/209174750.db2.gz UNVJKJSMTMIXBD-UHFFFAOYSA-N 0 3 369.469 2.647 50 0 FFAAHN CCC(=O)N(CCN(C)C)Cc1cc(-c2cc(OC)ccc2OC)on1 ZINC000096210702 209136034 /nfs/dbraw/zinc/13/60/34/209136034.db2.gz NNCYVSQOHVBASU-UHFFFAOYSA-N 0 3 361.442 2.659 50 0 FFAAHN O=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1n[nH]c2c1CCCC2 ZINC000096164180 209129551 /nfs/dbraw/zinc/12/95/51/209129551.db2.gz YFKXQHKXXRIAOB-QGZVFWFLSA-N 0 3 352.482 2.898 50 0 FFAAHN CCn1nc(CC2CCN(C)CC2)nc1-c1cc(-c2ccc(O)cc2)[nH]n1 ZINC000096162789 209128445 /nfs/dbraw/zinc/12/84/45/209128445.db2.gz XMHSKBNMUQVKEB-UHFFFAOYSA-N 0 3 366.469 2.945 50 0 FFAAHN CCN1CCCC[C@H]1C(=O)N1CCc2[nH]c(-c3cccc(OC)c3)nc2C1 ZINC000096137799 209119156 /nfs/dbraw/zinc/11/91/56/209119156.db2.gz VQNCITPGZPNGEQ-IBGZPJMESA-N 0 3 368.481 2.844 50 0 FFAAHN CCN1CCCC[C@H]1C(=O)N1CCc2nc(-c3cccc(OC)c3)[nH]c2C1 ZINC000096137799 209119160 /nfs/dbraw/zinc/11/91/60/209119160.db2.gz VQNCITPGZPNGEQ-IBGZPJMESA-N 0 3 368.481 2.844 50 0 FFAAHN Cc1cc(NC(=O)N2CCCO[C@@H](CN3CCCCC3)C2)n(C(C)C)n1 ZINC000299770225 206640596 /nfs/dbraw/zinc/64/05/96/206640596.db2.gz QCJZMIDVHWJBBM-KRWDZBQOSA-N 0 3 363.506 2.881 50 0 FFAAHN CN(C)C[C@@H](O)COc1cc2ccccc2cc1C(=O)N1CCCCC1 ZINC000000864183 206841190 /nfs/dbraw/zinc/84/11/90/206841190.db2.gz XMYLAJNYZJSVSX-GOSISDBHSA-N 0 3 356.466 2.767 50 0 FFAAHN O[C@@H](CNCCNc1ccc(C(F)(F)F)cn1)COc1ccccc1 ZINC000004299476 207010319 /nfs/dbraw/zinc/01/03/19/207010319.db2.gz XSKWCPPGOGQYLW-AWEZNQCLSA-N 0 3 355.360 2.542 50 0 FFAAHN O=C(NCCc1ccccc1)C1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000004547191 207026463 /nfs/dbraw/zinc/02/64/63/207026463.db2.gz KKTHHGFLOBMJQP-UHFFFAOYSA-N 0 3 366.461 2.986 50 0 FFAAHN CC(=O)c1ccc(-n2c(O)c3onc(-c4ccccc4Cl)c3c2O)cc1 ZINC000006186599 207133422 /nfs/dbraw/zinc/13/34/22/207133422.db2.gz GZKXYEPXSDABOI-NVXWUHKLSA-N 0 3 368.776 2.835 50 0 FFAAHN C[C@@H]1C[C@@H](C)CN(Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000007191857 207189977 /nfs/dbraw/zinc/18/99/77/207189977.db2.gz NPAYZJVDWGQNAR-VXGBXAGGSA-N 0 3 350.260 2.935 50 0 FFAAHN CS(=O)(=O)N1CCC([C@@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC000011838533 207324545 /nfs/dbraw/zinc/32/45/45/207324545.db2.gz DDNVROYGKGHUIK-MRXNPFEDSA-N 0 3 356.919 2.834 50 0 FFAAHN CCN(CCN1CCCC1)C(=O)c1cc(Cn2ccc3ccccc32)n[nH]1 ZINC000012316297 207358899 /nfs/dbraw/zinc/35/88/99/207358899.db2.gz GPGKRHAVGLICHX-UHFFFAOYSA-N 0 3 365.481 2.971 50 0 FFAAHN CCCCn1c(C)c(CC(=O)N2CC[C@H](N(C)C)C2)c2c1CCCC2=O ZINC000012373134 207364724 /nfs/dbraw/zinc/36/47/24/207364724.db2.gz WISORGYTIPBWQX-INIZCTEOSA-N 0 3 359.514 2.821 50 0 FFAAHN CC[C@H](CNC(=O)c1cccc(I)c1)N1CCCC1 ZINC000032653698 208035893 /nfs/dbraw/zinc/03/58/93/208035893.db2.gz WTTICJJJDBRWBM-CQSZACIVSA-N 0 3 372.250 2.895 50 0 FFAAHN Cn1ncc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1-n1cccc1 ZINC000032762632 208041356 /nfs/dbraw/zinc/04/13/56/208041356.db2.gz LJMCOWILPGWXAW-MRXNPFEDSA-N 0 3 369.494 2.839 50 0 FFAAHN CCOCc1cc(CN2CCN(C(C)C)[C@H](CCO)C2)ccc1OC ZINC000039380756 208209796 /nfs/dbraw/zinc/20/97/96/208209796.db2.gz VVCKBPSRNDEGHD-LJQANCHMSA-N 0 3 350.503 2.509 50 0 FFAAHN Cc1nn(C(C)C)c(C)c1CN1CCN(CC(C)(C)C)[C@H](CCO)C1 ZINC000039394379 208212188 /nfs/dbraw/zinc/21/21/88/208212188.db2.gz FJRHLBMJZMWFHT-GOSISDBHSA-N 0 3 350.551 2.996 50 0 FFAAHN CN1CCN(CCCNC(=O)Cc2ccccc2F)[C@H](c2ccccc2)C1 ZINC000046388207 208364089 /nfs/dbraw/zinc/36/40/89/208364089.db2.gz BOVPTCYOZZYRBH-NRFANRHFSA-N 0 3 369.484 2.863 50 0 FFAAHN COc1ccccc1OC1CN(c2ncnc3sc4c(c32)CCNC4)C1 ZINC000065527798 208686686 /nfs/dbraw/zinc/68/66/86/208686686.db2.gz UBUUVFMUUJSLLU-UHFFFAOYSA-N 0 3 368.462 2.613 50 0 FFAAHN O=C(CCN1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2)N1CCCC1 ZINC000091846338 209000423 /nfs/dbraw/zinc/00/04/23/209000423.db2.gz IQSUQGVDLQDFDC-AZUAARDMSA-N 0 3 359.489 2.734 50 0 FFAAHN c1cnn(-c2ccccc2CN2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)c1 ZINC000091876803 209002191 /nfs/dbraw/zinc/00/21/91/209002191.db2.gz WCHJZJXXUHSCKF-IEBWSBKVSA-N 0 3 360.465 2.763 50 0 FFAAHN CC(C)(C)c1cc(CN2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)n[nH]1 ZINC000092020492 209010435 /nfs/dbraw/zinc/01/04/35/209010435.db2.gz AAASYMFLOQTDLN-XJKSGUPXSA-N 0 3 373.526 2.787 50 0 FFAAHN O=C1CC2(CN1CCCc1ccccc1)CCN(Cc1cnc[nH]1)CC2 ZINC000091998034 209011661 /nfs/dbraw/zinc/01/16/61/209011661.db2.gz UGCVXSUDSRSMNT-UHFFFAOYSA-N 0 3 352.482 2.857 50 0 FFAAHN CCn1c(C)cc(C(=O)N2CCC([C@H](C)N3CCN(C)CC3)CC2)c1C ZINC000092019321 209011955 /nfs/dbraw/zinc/01/19/55/209011955.db2.gz PVDHOADDGNRFKP-KRWDZBQOSA-N 0 3 360.546 2.613 50 0 FFAAHN Cc1ccc(F)cc1CN1CCC[C@H](c2nnc(Cn3cccn3)n2C)C1 ZINC000095363170 209029931 /nfs/dbraw/zinc/02/99/31/209029931.db2.gz SDEAXKUGSPORPO-INIZCTEOSA-N 0 3 368.460 2.887 50 0 FFAAHN O=C(NCCN1CCc2ccccc21)C1CCN(Cc2ccco2)CC1 ZINC000095390831 209045613 /nfs/dbraw/zinc/04/56/13/209045613.db2.gz KNPMMUUVPUPRCE-UHFFFAOYSA-N 0 3 353.466 2.671 50 0 FFAAHN COc1ccc(CN2C[C@H]3CC[C@H](CN3C(=O)Cc3ccccn3)C2)cc1 ZINC000095370067 209032330 /nfs/dbraw/zinc/03/23/30/209032330.db2.gz PRIMZXRIVLJYNX-AZUAARDMSA-N 0 3 365.477 2.756 50 0 FFAAHN COc1ccc([C@@H]2CN(c3nccc(C)n3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095372193 209035143 /nfs/dbraw/zinc/03/51/43/209035143.db2.gz PAWMNWRQWDOPJJ-XUVXKRRUSA-N 0 3 350.466 2.860 50 0 FFAAHN O=C(NCCN1CCCC1)c1ccc2nc(-c3ccc(F)cc3)cn2c1 ZINC000095373790 209036255 /nfs/dbraw/zinc/03/62/55/209036255.db2.gz YEZIBBFPNLOLHC-UHFFFAOYSA-N 0 3 352.413 2.966 50 0 FFAAHN Cc1ccc(C)c(CN2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)c1 ZINC000095375827 209037733 /nfs/dbraw/zinc/03/77/33/209037733.db2.gz MTUNGMXZPPFFSF-IFMALSPDSA-N 0 3 356.510 2.889 50 0 FFAAHN COc1ccc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)cc1F ZINC000095378298 209038610 /nfs/dbraw/zinc/03/86/10/209038610.db2.gz UDKVPOLIIHMJDA-INIZCTEOSA-N 0 3 374.460 2.612 50 0 FFAAHN COCCN1C[C@H]2CC[C@@H]1CN(Cc1cc3c(cc1Cl)OCO3)C2 ZINC000095378987 209039172 /nfs/dbraw/zinc/03/91/72/209039172.db2.gz DGIQCRWBRYYZRL-DZGCQCFKSA-N 0 3 352.862 2.611 50 0 FFAAHN CN(C)CCN1C[C@H](C(=O)NC(C)(C)c2cccc3ccccc32)CC1=O ZINC000095381859 209041332 /nfs/dbraw/zinc/04/13/32/209041332.db2.gz FRIBAINQBNVJTF-QGZVFWFLSA-N 0 3 367.493 2.601 50 0 FFAAHN COc1ccc(CN2C[C@H]3CC[C@H](CN3C(=O)Cc3ccncc3)C2)cc1 ZINC000095392774 209047202 /nfs/dbraw/zinc/04/72/02/209047202.db2.gz MULKGKHVMHCFFO-VQTJNVASSA-N 0 3 365.477 2.756 50 0 FFAAHN COc1ccc(CCNC(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1 ZINC000057205830 221084730 /nfs/dbraw/zinc/08/47/30/221084730.db2.gz PHUNMLJNTQPSPI-LJQANCHMSA-N 0 3 355.482 2.710 50 0 FFAAHN Cc1cc(C)n(C[C@@H](C)CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)n1 ZINC000057202435 221085049 /nfs/dbraw/zinc/08/50/49/221085049.db2.gz CUUKKZLTSKIMQY-OXJNMPFZSA-N 0 3 371.529 2.608 50 0 FFAAHN COc1ccc(C(C)(C)C)cc1NC(=O)NCCCN1CCC[C@H](O)C1 ZINC000095504267 209065320 /nfs/dbraw/zinc/06/53/20/209065320.db2.gz HCYQAYYBGSHQAY-INIZCTEOSA-N 0 3 363.502 2.961 50 0 FFAAHN O=C(NCCN1CC[C@H](c2ccccc2)C1)Nc1ccc2c(c1)CC(=O)N2 ZINC000095519831 209072885 /nfs/dbraw/zinc/07/28/85/209072885.db2.gz GKOORLFCOFGNGN-INIZCTEOSA-N 0 3 364.449 2.792 50 0 FFAAHN CCN1CC[C@]2(CN(c3nccc(C4CCCC4)n3)CCN2C)CCC1=O ZINC000091486073 132202149 /nfs/dbraw/zinc/20/21/49/132202149.db2.gz YGJCMGZYXKLPJS-NRFANRHFSA-N 0 3 371.529 2.657 50 0 FFAAHN O=C(c1cnc(Nc2ccccc2)nc1)N1CCN(c2ccncc2)CC1 ZINC000091964508 132205047 /nfs/dbraw/zinc/20/50/47/132205047.db2.gz OGEGWHWCTLUCBV-UHFFFAOYSA-N 0 3 360.421 2.578 50 0 FFAAHN Cc1ncnc(N2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c1C ZINC000106981765 132241027 /nfs/dbraw/zinc/24/10/27/132241027.db2.gz DSOBRWVLYFYCAZ-FQEVSTJZSA-N 0 3 354.498 2.599 50 0 FFAAHN O=C(N[C@@H]1CCCN(c2cnccn2)C1)C1(N2CCCCC2)CCCCC1 ZINC000216427642 132271057 /nfs/dbraw/zinc/27/10/57/132271057.db2.gz DIEUPVZPRRZWCW-GOSISDBHSA-N 0 3 371.529 2.750 50 0 FFAAHN COc1ccc(CNC[C@@H](O)c2cccc(O)c2)cc1Br ZINC000057354892 507244659 /nfs/dbraw/zinc/24/46/59/507244659.db2.gz DMMYCBJHILDHHL-OAHLLOKOSA-N 0 3 352.228 2.987 50 0 FFAAHN O=C(NCc1ccc2c(c1)OCO2)C1=CCN(Cc2ccccc2)CC1 ZINC000064817960 506230224 /nfs/dbraw/zinc/23/02/24/506230224.db2.gz JDWUPKXDLKGOLI-UHFFFAOYSA-N 0 3 350.418 2.864 50 0 FFAAHN Cc1ccc(N(C[C@H](O)CN2CCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000000895836 506238363 /nfs/dbraw/zinc/23/83/63/506238363.db2.gz DJZWPMWOJCHJCS-LJQANCHMSA-N 0 3 374.506 2.647 50 0 FFAAHN CC(=O)N1CCc2cc(-c3ccc(C(=O)NCCN(C)C)cc3)ccc21 ZINC000065026947 506251863 /nfs/dbraw/zinc/25/18/63/506251863.db2.gz UGMLQVUDADYEFI-UHFFFAOYSA-N 0 3 351.450 2.554 50 0 FFAAHN CC[C@H](CNC(=O)[C@@H]1Cc2ccccc2O1)N1CCc2ccccc2C1 ZINC000032446762 506255400 /nfs/dbraw/zinc/25/54/00/506255400.db2.gz IUVFOQLANPUYHW-CTNGQTDRSA-N 0 3 350.462 2.943 50 0 FFAAHN CN(C)CCn1nnc2cc(-c3noc(Cc4ccc(F)cc4)n3)ccc21 ZINC000065254995 506275427 /nfs/dbraw/zinc/27/54/27/506275427.db2.gz FJHKGFKHFQLUSQ-UHFFFAOYSA-N 0 3 366.400 2.773 50 0 FFAAHN C[C@H]1c2ccsc2CCN1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000032776777 506293884 /nfs/dbraw/zinc/29/38/84/506293884.db2.gz WXJRPEJNQITXTK-INIZCTEOSA-N 0 3 370.522 2.801 50 0 FFAAHN O=C(NCc1noc([C@H]2CCCO2)n1)c1ccc(CN2CCCCC2)cc1 ZINC000065409074 506295202 /nfs/dbraw/zinc/29/52/02/506295202.db2.gz ZXTQNVVNZDPGKA-QGZVFWFLSA-N 0 3 370.453 2.837 50 0 FFAAHN CCOC(=O)N1CCC(N[C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000039990616 506457558 /nfs/dbraw/zinc/45/75/58/506457558.db2.gz INSZQHFWAKWGQB-IBGZPJMESA-N 0 3 373.497 2.951 50 0 FFAAHN Cc1ccccc1OC[C@H](O)CN1CCC(NC(=O)c2ccccc2)CC1 ZINC000040023673 506459463 /nfs/dbraw/zinc/45/94/63/506459463.db2.gz QJNYYWWOFONMPL-HXUWFJFHSA-N 0 3 368.477 2.629 50 0 FFAAHN COc1ccc(OC)c2c(=O)c(C[N@H+](C)C3CCN(C)CC3)c(C)[n-]c12 ZINC000008717342 506664368 /nfs/dbraw/zinc/66/43/68/506664368.db2.gz PHGZZSSWLVSDFA-UHFFFAOYSA-N 0 3 359.470 2.792 50 0 FFAAHN COc1ccc(OC)c2c(=O)c(C[N@@H+](C)C3CCN(C)CC3)c(C)[n-]c12 ZINC000008717342 506664375 /nfs/dbraw/zinc/66/43/75/506664375.db2.gz PHGZZSSWLVSDFA-UHFFFAOYSA-N 0 3 359.470 2.792 50 0 FFAAHN COc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc(OC)c1OC ZINC000010328049 506737659 /nfs/dbraw/zinc/73/76/59/506737659.db2.gz SASTWYYCGXCCFM-MRXNPFEDSA-N 0 3 358.438 2.745 50 0 FFAAHN c1ccc(CCc2noc(CN3CCC(N4CCSCC4)CC3)n2)cc1 ZINC000012613294 506884445 /nfs/dbraw/zinc/88/44/45/506884445.db2.gz GBKUTJRDAPZRPC-UHFFFAOYSA-N 0 3 372.538 2.868 50 0 FFAAHN CN(CCc1ccccc1)[C@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 ZINC000012706787 506892179 /nfs/dbraw/zinc/89/21/79/506892179.db2.gz CJSNFUHWHBSISH-FQEVSTJZSA-N 0 3 371.525 2.555 50 0 FFAAHN CNc1ncccc1CN1CCc2[nH]cnc2[C@@H]1c1nc2ccccc2[nH]1 ZINC000067676267 506971504 /nfs/dbraw/zinc/97/15/04/506971504.db2.gz AEOYUAYLPXVSJB-GOSISDBHSA-N 0 3 359.437 2.870 50 0 FFAAHN CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1C ZINC000014171073 506975013 /nfs/dbraw/zinc/97/50/13/506975013.db2.gz FXKXYJRGMKOXQI-QGZVFWFLSA-N 0 3 369.465 2.813 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N(C)[C@@H](C)c3nccs3)cnn2c1 ZINC000067689359 506977759 /nfs/dbraw/zinc/97/77/59/506977759.db2.gz SQTKTVXYOYQGGK-ZDUSSCGKSA-N 0 3 372.498 2.861 50 0 FFAAHN CN(C)Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000014199580 506977794 /nfs/dbraw/zinc/97/77/94/506977794.db2.gz PGAJQFXKHYULKW-UHFFFAOYSA-N 0 3 355.463 2.722 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)NCc3sc(C)nc3C)cnn2c1 ZINC000067834476 507021810 /nfs/dbraw/zinc/02/18/10/507021810.db2.gz JDHZHSQFKHXGRP-UHFFFAOYSA-N 0 3 372.498 2.574 50 0 FFAAHN Cc1ccc(-c2nc(CNC(=O)C3(N)CCC3)[nH]c2-c2ccccn2)cc1 ZINC000067881441 507037214 /nfs/dbraw/zinc/03/72/14/507037214.db2.gz ORVIBOYSBMGJAC-UHFFFAOYSA-N 0 3 361.449 2.945 50 0 FFAAHN Cc1ccc(-c2[nH]c(CNC(=O)C3(N)CCC3)nc2-c2ccccn2)cc1 ZINC000067881441 507037218 /nfs/dbraw/zinc/03/72/18/507037218.db2.gz ORVIBOYSBMGJAC-UHFFFAOYSA-N 0 3 361.449 2.945 50 0 FFAAHN CCc1c(C)sc(NC(=S)N2CCN3CCC[C@H]3C2)c1C(=O)OC ZINC000017075499 507114986 /nfs/dbraw/zinc/11/49/86/507114986.db2.gz XNZJQYOMKHHREE-LBPRGKRZSA-N 0 3 367.540 2.882 50 0 FFAAHN CCN1CCN(CCC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000019528176 507176214 /nfs/dbraw/zinc/17/62/14/507176214.db2.gz MKUPOFKMLPHPFJ-UHFFFAOYSA-N 0 3 354.292 2.724 50 0 FFAAHN C[C@H](C1CCN(c2nncc(-c3ccc(F)cc3)n2)CC1)N1CCOCC1 ZINC000019535283 507176240 /nfs/dbraw/zinc/17/62/40/507176240.db2.gz XMUSWQDKACOTNO-OAHLLOKOSA-N 0 3 371.460 2.615 50 0 FFAAHN CN(C)[C@H](CNC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccccc1 ZINC000022315330 507288690 /nfs/dbraw/zinc/28/86/90/507288690.db2.gz VELVQVQPBDCZIC-UYAOXDASSA-N 0 3 365.477 2.997 50 0 FFAAHN COCC[C@@H](C)NC(=O)Nc1ccc(N2CCCN(C)CC2)c(F)c1 ZINC000058179151 507380814 /nfs/dbraw/zinc/38/08/14/507380814.db2.gz RLEBXRKTHLRGHR-CQSZACIVSA-N 0 3 352.454 2.514 50 0 FFAAHN COc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1OC(F)F ZINC000047774003 507392610 /nfs/dbraw/zinc/39/26/10/507392610.db2.gz WFWPXZOICXLEFM-UHFFFAOYSA-N 0 3 363.364 2.654 50 0 FFAAHN CCS(=O)(=O)c1ccc(C(=O)NC[C@@]2(N(C)C)CCC[C@@H](C)C2)cc1 ZINC000069119170 507413806 /nfs/dbraw/zinc/41/38/06/507413806.db2.gz XMRMWIZOIUQFPY-DNVCBOLYSA-N 0 3 366.527 2.721 50 0 FFAAHN Cc1ccc([C@@H](CNC(=O)[C@@H](C)NC(=O)c2ccco2)N2CCCC2)cc1 ZINC000058430910 507418154 /nfs/dbraw/zinc/41/81/54/507418154.db2.gz DWROLBSPKPHPIC-SJLPKXTDSA-N 0 3 369.465 2.660 50 0 FFAAHN Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000061554179 507620680 /nfs/dbraw/zinc/62/06/80/507620680.db2.gz DUPSGSPKPQBJJZ-ZBFHGGJFSA-N 0 3 360.502 2.939 50 0 FFAAHN c1ccc2c(c1)CN(c1nc(-c3cccnc3)nc3c1CCNC3)CCO2 ZINC000071759063 507712854 /nfs/dbraw/zinc/71/28/54/507712854.db2.gz TYOHHGUJOSLJSE-UHFFFAOYSA-N 0 3 359.433 2.583 50 0 FFAAHN CC(C)[C@@H]1CN(C(=O)Cn2cccn2)CCCN1Cc1ccc(F)cc1 ZINC000071762544 507714916 /nfs/dbraw/zinc/71/49/16/507714916.db2.gz BCFWGDUHQNIXAI-IBGZPJMESA-N 0 3 358.461 2.781 50 0 FFAAHN COCC1(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)CCC1 ZINC000071776368 507716441 /nfs/dbraw/zinc/71/64/41/507716441.db2.gz PDDXUPDHVJZRCO-XUVXKRRUSA-N 0 3 354.494 2.892 50 0 FFAAHN COCCc1noc([C@H]2CCCN(Cc3ccc(-c4cc[nH]n4)o3)C2)n1 ZINC000072159307 507763939 /nfs/dbraw/zinc/76/39/39/507763939.db2.gz NPXFBRIZMIHVRN-ZDUSSCGKSA-N 0 3 357.414 2.621 50 0 FFAAHN CCOC(=O)CCNC(=O)N1CCCC[C@@H]1c1ccc(CN(C)C)cc1 ZINC000072165088 507766994 /nfs/dbraw/zinc/76/69/94/507766994.db2.gz CTXUGEJOZQJLCP-GOSISDBHSA-N 0 3 361.486 2.938 50 0 FFAAHN Oc1cccc([C@@H]2CN(Cc3ncccc3F)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072170099 507768926 /nfs/dbraw/zinc/76/89/26/507768926.db2.gz FDDMECTWHPIMHZ-IOMROCGXSA-N 0 3 353.441 2.989 50 0 FFAAHN CN1CCC(N(CCc2ccccc2)C(=O)CCN2CCCCO2)CC1 ZINC000063882819 507778814 /nfs/dbraw/zinc/77/88/14/507778814.db2.gz IPCNKKYHRUDHKS-UHFFFAOYSA-N 0 3 359.514 2.569 50 0 FFAAHN COc1ccc(CCCC(=O)NCc2c(C)ncc3c2CCNC3)cc1 ZINC000072408740 507784645 /nfs/dbraw/zinc/78/46/45/507784645.db2.gz IYJBGESCLDORHJ-UHFFFAOYSA-N 0 3 353.466 2.683 50 0 FFAAHN COc1c(C)cc(C)cc1CN1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082098218 508225435 /nfs/dbraw/zinc/22/54/35/508225435.db2.gz DNPQDRDNNJSIAY-JOCHJYFZSA-N 0 3 374.525 2.899 50 0 FFAAHN O=C1CC[C@@]2(CCCN(Cc3ccc(C(F)(F)F)cc3)C2)CN1CCO ZINC000077422091 508314205 /nfs/dbraw/zinc/31/42/05/508314205.db2.gz BUKMJCOMDYQSMN-GOSISDBHSA-N 0 3 370.415 2.902 50 0 FFAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cccn(C)c2=O)cc1 ZINC000077436894 508315625 /nfs/dbraw/zinc/31/56/25/508315625.db2.gz ORIKLHMMJHKNMS-IBGZPJMESA-N 0 3 353.466 2.814 50 0 FFAAHN CN(C)Cc1nnc(C2CCN(Cc3ccc4ccn(C)c4c3)CC2)n1C ZINC000077488002 508322983 /nfs/dbraw/zinc/32/29/83/508322983.db2.gz UHPFWSRPGFXGOJ-UHFFFAOYSA-N 0 3 366.513 2.748 50 0 FFAAHN CC(C)CCN1CCN(Cc2cnn(-c3cccc(F)c3)c2)C[C@H]1CCO ZINC000104351020 508332822 /nfs/dbraw/zinc/33/28/22/508332822.db2.gz MIXDYYNRYQXAHV-OAQYLSRUSA-N 0 3 374.504 2.926 50 0 FFAAHN Cc1cc(CNC[C@@H]2CN(C)CCO2)cc(C)c1OCc1ccccn1 ZINC000105471345 508373271 /nfs/dbraw/zinc/37/32/71/508373271.db2.gz QGCDYPKYHWJOES-HXUWFJFHSA-N 0 3 355.482 2.698 50 0 FFAAHN CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1OCCc2ccccc21 ZINC000153396749 508579295 /nfs/dbraw/zinc/57/92/95/508579295.db2.gz OYLOPLMVTNQOQB-FQEVSTJZSA-N 0 3 354.450 2.596 50 0 FFAAHN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)c1C ZINC000154908817 508881136 /nfs/dbraw/zinc/88/11/36/508881136.db2.gz KVJGYZAQZXLEGL-UHFFFAOYSA-N 0 3 370.453 2.954 50 0 FFAAHN O=C(Cn1nc2ccccc2n1)NC[C@H](c1ccccc1)N1CCCCC1 ZINC000215887223 509253421 /nfs/dbraw/zinc/25/34/21/509253421.db2.gz DIKPWTLESZNPPK-HXUWFJFHSA-N 0 3 363.465 2.775 50 0 FFAAHN O=C(N1CCC[C@@H](OCc2cccnc2)C1)C1(N2CCCC2)CCCC1 ZINC000220013922 509293107 /nfs/dbraw/zinc/29/31/07/509293107.db2.gz XLUDTFQLBGUMNH-LJQANCHMSA-N 0 3 357.498 2.998 50 0 FFAAHN Cc1ccc([C@@H](NC(=O)CN(C)C2CCN(C)CC2)c2ccncc2)cc1 ZINC000221327382 509306031 /nfs/dbraw/zinc/30/60/31/509306031.db2.gz GTNLZHVMSIYLGN-JOCHJYFZSA-N 0 3 366.509 2.622 50 0 FFAAHN CC(C)c1ccc([C@@H](N)CNC(=O)c2ccc(-n3cncn3)c(F)c2)cc1 ZINC000225468251 509372468 /nfs/dbraw/zinc/37/24/68/509372468.db2.gz CHFWNKUFMGFJNV-SFHVURJKSA-N 0 3 367.428 2.960 50 0 FFAAHN COCCN(C)c1ccc(CN[C@H](C)c2ccc3c(c2)OCCO3)cn1 ZINC000252489392 509842477 /nfs/dbraw/zinc/84/24/77/509842477.db2.gz JPZNJMOMFFDOSK-OAHLLOKOSA-N 0 3 357.454 2.786 50 0 FFAAHN C[C@@H](Oc1ncccc1C(=O)NCCN1CCC(C)CC1)C(F)(F)F ZINC000242273636 509844461 /nfs/dbraw/zinc/84/44/61/509844461.db2.gz YEOGUHYDHZLTTQ-CYBMUJFWSA-N 0 3 359.392 2.873 50 0 FFAAHN c1cc(CN2CCC(N3C[C@@H](OCC4CC4)C34CCOCC4)CC2)ccn1 ZINC000257181340 509948613 /nfs/dbraw/zinc/94/86/13/509948613.db2.gz MXDRGIHULPRSPC-OAQYLSRUSA-N 0 3 371.525 2.706 50 0 FFAAHN O=C(NCCCN1CCC[C@@H](O)C1)Nc1cc(F)cc(C(F)(F)F)c1 ZINC000299755354 511668171 /nfs/dbraw/zinc/66/81/71/511668171.db2.gz HVAUXCWHPBGBAE-CQSZACIVSA-N 0 3 363.355 2.813 50 0 FFAAHN CN(C)CCN1C(=O)CC[C@H]1CCNC(=O)c1cc2ccccc2s1 ZINC000299757725 511670279 /nfs/dbraw/zinc/67/02/79/511670279.db2.gz MTAPCKVOLMQCPY-HNNXBMFYSA-N 0 3 359.495 2.574 50 0 FFAAHN O=C(c1cccn2cnnc12)N1CCCN(CCCc2ccccc2)CC1 ZINC000299758239 511670621 /nfs/dbraw/zinc/67/06/21/511670621.db2.gz NIOILXCLBZSOKP-UHFFFAOYSA-N 0 3 363.465 2.510 50 0 FFAAHN O=C(Nc1cccc(-n2cnnc2)c1)N1CCN(C2CCCCC2)CC1 ZINC000299768421 511674201 /nfs/dbraw/zinc/67/42/01/511674201.db2.gz UYNPBRLFRXICOB-UHFFFAOYSA-N 0 3 354.458 2.750 50 0 FFAAHN CC1CCN(C(=O)c2cccc(NC(=O)N3CCN4CCC[C@@H]4C3)c2)CC1 ZINC000299776862 511677738 /nfs/dbraw/zinc/67/77/38/511677738.db2.gz DQBZNLGEWFWWKF-LJQANCHMSA-N 0 3 370.497 2.871 50 0 FFAAHN CCn1c(C)cc2cc(NC(=O)NCCCN3CCC[C@@H](O)C3)ccc21 ZINC000299795600 511683889 /nfs/dbraw/zinc/68/38/89/511683889.db2.gz KRHZBTVZHKOKBK-GOSISDBHSA-N 0 3 358.486 2.938 50 0 FFAAHN COc1cccc([C@@H]2CN(C(=O)c3ccccc3CN(C)C)CCO2)c1 ZINC000365855909 511689819 /nfs/dbraw/zinc/68/98/19/511689819.db2.gz LWWKPNFOLXCTRM-FQEVSTJZSA-N 0 3 354.450 2.971 50 0 FFAAHN COCCN1CCC[C@@H](CNC(=O)N2CCC(c3ccccc3)CC2)C1 ZINC000426441926 513941802 /nfs/dbraw/zinc/94/18/02/513941802.db2.gz QMIQTZKADMGJQD-SFHVURJKSA-N 0 3 359.514 2.934 50 0 FFAAHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1conc1-c1ccccc1 ZINC000426544580 513976199 /nfs/dbraw/zinc/97/61/99/513976199.db2.gz YQGCGPJSYATMKM-KRWDZBQOSA-N 0 3 355.438 2.715 50 0 FFAAHN Nc1ncc(-c2cccc(C(=O)N3CCCC[C@H]3CN3CCCC3)c2)cn1 ZINC000426580622 513985290 /nfs/dbraw/zinc/98/52/90/513985290.db2.gz BAKOTZCGUSXXIC-IBGZPJMESA-N 0 3 365.481 2.816 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000426658498 514007834 /nfs/dbraw/zinc/00/78/34/514007834.db2.gz QFLGCEIHVPTZGE-SFHVURJKSA-N 0 3 364.921 2.652 50 0 FFAAHN C[C@@H](CNC(=O)N(CCc1ccccc1)C1CCN(C)CC1)n1ccnc1 ZINC000534587897 517955706 /nfs/dbraw/zinc/95/57/06/517955706.db2.gz RHSJCGKMMGAHQE-SFHVURJKSA-N 0 3 369.513 2.793 50 0 FFAAHN CO[C@]12CCN(Cc3ccc(C)o3)[C@H]1C[C@H](NC(=O)c1cc(C)on1)CC2 ZINC000534590216 517957403 /nfs/dbraw/zinc/95/74/03/517957403.db2.gz JBDIDZDMNVQMRA-MOXGXCLJSA-N 0 3 373.453 2.826 50 0 FFAAHN CC[C@@H](CNC(=O)N1CCC(c2ccnc(C)n2)CC1)N1CCCCC1 ZINC000534647980 517981456 /nfs/dbraw/zinc/98/14/56/517981456.db2.gz CPHVVMQRUTZOJZ-SFHVURJKSA-N 0 3 359.518 2.939 50 0 FFAAHN Cc1nc(CCCNC(=O)N2CCN(c3ccncc3)CC2)sc1C ZINC000584900662 518530359 /nfs/dbraw/zinc/53/03/59/518530359.db2.gz MLVBBGUIQFHERD-UHFFFAOYSA-N 0 3 359.499 2.619 50 0 FFAAHN CN(C)Cc1nnc(C2CCN(Cc3cccc(O)c3)CC2)n1C1CC1 ZINC000082097581 521936910 /nfs/dbraw/zinc/93/69/10/521936910.db2.gz DIGPOLSXONYPPM-UHFFFAOYSA-N 0 3 355.486 2.760 50 0 FFAAHN CC1(C)CN(C(=O)c2cn[nH]c(=O)c2)C(C)(C)CN1Cc1ccccc1 ZINC000623044520 523644540 /nfs/dbraw/zinc/64/45/40/523644540.db2.gz TYXLTOSMLSEBQP-UHFFFAOYSA-N 0 3 354.454 2.697 50 0 FFAAHN CN1CCC(n2nccc2NC(=O)Cn2ccc(-c3ccccc3)n2)CC1 ZINC000020536877 523785887 /nfs/dbraw/zinc/78/58/87/523785887.db2.gz DAPPBKGNNMBXQO-UHFFFAOYSA-N 0 3 364.453 2.652 50 0 FFAAHN COCCN1CCC(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)CC1 ZINC000091694225 523812879 /nfs/dbraw/zinc/81/28/79/523812879.db2.gz IRSXQACMNRGNPE-UHFFFAOYSA-N 0 3 362.489 2.965 50 0 FFAAHN COc1ccc(CCNC(=O)CN2CC[C@@H]3CCCC[C@H]3C2)cc1OC ZINC000245237100 523958631 /nfs/dbraw/zinc/95/86/31/523958631.db2.gz FRXTUKPKZWGEBX-ROUUACIJSA-N 0 3 360.498 2.875 50 0 FFAAHN COc1nc2c(cc1C(=O)NC[C@@H]1CCCN(Cc3ccco3)C1)CCC2 ZINC000091255006 524989923 /nfs/dbraw/zinc/98/99/23/524989923.db2.gz YTEZLMSBCLGTAB-HNNXBMFYSA-N 0 3 369.465 2.814 50 0 FFAAHN Cc1ccccc1OCC(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 ZINC000082137638 525279920 /nfs/dbraw/zinc/27/99/20/525279920.db2.gz GTBULYACRTUKGN-UHFFFAOYSA-N 0 3 370.497 2.748 50 0 FFAAHN O=C(NCc1coc(-c2ccccc2)n1)[C@@H]1CCCN1C1CCOCC1 ZINC000089851341 526807692 /nfs/dbraw/zinc/80/76/92/526807692.db2.gz LXUSVQPQMFDBJR-SFHVURJKSA-N 0 3 355.438 2.601 50 0 FFAAHN O=C1CC[C@@]2(CCCN(Cc3cccc(O)c3)C2)CN1CCc1c[nH]cn1 ZINC000082120577 526992943 /nfs/dbraw/zinc/99/29/43/526992943.db2.gz GOLLHLLENKCRNF-OAQYLSRUSA-N 0 3 368.481 2.563 50 0 FFAAHN NS(=O)(=O)c1ccc(CCNCc2ccc(-c3ccccc3)o2)cc1 ZINC000019872387 527311685 /nfs/dbraw/zinc/31/16/85/527311685.db2.gz XRBVPANMBNIBJD-UHFFFAOYSA-N 0 3 356.447 2.926 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(c2nc(C)cc(C)n2)CC1 ZINC000095512214 535561402 /nfs/dbraw/zinc/56/14/02/535561402.db2.gz RZEQFHYRNIWLTG-LJQANCHMSA-N 0 3 373.545 2.691 50 0 FFAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000252482191 571131892 /nfs/dbraw/zinc/13/18/92/571131892.db2.gz DAGFBGSJTQGGOT-QGZVFWFLSA-N 0 3 352.434 2.943 50 0 FFAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4nc(C)c[nH]4)C3)C2)c1 ZINC000012317264 988247952 /nfs/dbraw/zinc/24/79/52/988247952.db2.gz MECPFWQXEMOYDK-OAQYLSRUSA-N 0 3 368.481 2.855 50 0 FFAAHN C[C@H](CCc1nc(-c2cccc3c2ccn3C)n[nH]1)N1CCN(C)CC1 ZINC000823789304 999085211 /nfs/dbraw/zinc/08/52/11/999085211.db2.gz CQBGUDQTVAYYEJ-OAHLLOKOSA-N 0 3 352.486 2.532 50 0 FFAAHN O=C(N[C@H]1CCCN(C2Cc3ccccc3C2)C1)c1onc2c1CCCC2 ZINC000828231288 999563379 /nfs/dbraw/zinc/56/33/79/999563379.db2.gz QRKLUFQOZJFLTI-KRWDZBQOSA-N 0 3 365.477 2.915 50 0 FFAAHN O=C(NCCN1CCCCC1)[C@@H]1CCCCC(=O)N1Cc1ccccc1 ZINC000581785762 999944247 /nfs/dbraw/zinc/94/42/47/999944247.db2.gz PZKOJJKQJRIMMV-IBGZPJMESA-N 0 3 357.498 2.560 50 0 FFAAHN O=C(N[C@@H]1CN(Cc2cccc3[nH]ccc32)CC[C@@H]1CO)c1ccccc1 ZINC000581799372 999945510 /nfs/dbraw/zinc/94/55/10/999945510.db2.gz UIVJBPTXWZARCC-WIYYLYMNSA-N 0 3 363.461 2.781 50 0 FFAAHN CCCN(CCN1CCN(CC)CC1)C(=O)c1ccc2ncccc2c1 ZINC000585085149 1008292545 /nfs/dbraw/zinc/29/25/45/1008292545.db2.gz MLMHNDPQEGRFTP-UHFFFAOYSA-N 0 3 354.498 2.725 50 0 FFAAHN CC(C)c1cc(C(=O)NC[C@H]2CCN(Cc3ccccc3F)C2)nc(N)n1 ZINC000952977481 1011020702 /nfs/dbraw/zinc/02/07/02/1011020702.db2.gz IKGIDRHUVVAGBV-CQSZACIVSA-N 0 3 371.460 2.573 50 0 FFAAHN CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)CN3CCCC3=O)C2)cc1 ZINC000015073945 1021788441 /nfs/dbraw/zinc/78/84/41/1021788441.db2.gz MGFRCYPEPNAOQY-FQEVSTJZSA-N 0 3 371.525 2.588 50 0 FFAAHN Cc1cccc(-c2n[nH]cc2C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000252510088 209937350 /nfs/dbraw/zinc/93/73/50/209937350.db2.gz ZBDZFHGGYAEHOW-GOSISDBHSA-N 0 3 368.481 2.758 50 0 FFAAHN Cc1nn(C)c2ncc(CN3CC[C@@H](CNc4cccc(C)n4)C3)cc12 ZINC000237864930 209355752 /nfs/dbraw/zinc/35/57/52/209355752.db2.gz DDSCGJLSSAIVFK-INIZCTEOSA-N 0 3 350.470 2.914 50 0 FFAAHN Cc1cc(=O)n2nc(NC[C@H](c3ccccc3)N3CCCC3)sc2n1 ZINC000048332544 209330889 /nfs/dbraw/zinc/33/08/89/209330889.db2.gz RLQQRURRHUWOFM-OAHLLOKOSA-N 0 3 355.467 2.708 50 0 FFAAHN C[C@@H](CNC(=O)[C@H](C)Oc1ccc(F)cc1Br)N1CCCC1 ZINC000048128656 209329483 /nfs/dbraw/zinc/32/94/83/209329483.db2.gz ZUZQIBBWWZYEMH-RYUDHWBXSA-N 0 3 373.266 2.956 50 0 FFAAHN Cn1nc2cccc(NC(=O)NC[C@H]3CCCN(Cc4ccco4)C3)c2n1 ZINC000097551431 209186600 /nfs/dbraw/zinc/18/66/00/209186600.db2.gz BKECSLNDIZELFG-CQSZACIVSA-N 0 3 368.441 2.595 50 0 FFAAHN CN(CCNC(=O)/C=C1\Sc2ccccc2NC1=O)Cc1ccccc1 ZINC000004931778 207063606 /nfs/dbraw/zinc/06/36/06/207063606.db2.gz FHAZZONNHFHYPP-AQTBWJFISA-N 0 3 367.474 2.863 50 0 FFAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC000004990300 207069174 /nfs/dbraw/zinc/06/91/74/207069174.db2.gz RQHJEUFWGDBUAB-INIZCTEOSA-N 0 3 364.486 2.793 50 0 FFAAHN CCOc1ccc(CCNC(=O)CNCCCOC(C)C)cc1OCC ZINC000006539245 207145214 /nfs/dbraw/zinc/14/52/14/207145214.db2.gz NHODBGXTBRQGAU-UHFFFAOYSA-N 0 3 366.502 2.547 50 0 FFAAHN Cn1ncc(Cl)c1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000006741239 207159137 /nfs/dbraw/zinc/15/91/37/207159137.db2.gz XCYAFTVIJHRRCD-UHFFFAOYSA-N 0 3 362.905 2.800 50 0 FFAAHN CCOc1c(Cl)cc(CNCCCSc2nnnn2C)cc1OC ZINC000010434519 207300939 /nfs/dbraw/zinc/30/09/39/207300939.db2.gz LSUNOIMPVBZYRD-UHFFFAOYSA-N 0 3 371.894 2.543 50 0 FFAAHN O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)CNCc1ccccc1 ZINC000011934230 207330543 /nfs/dbraw/zinc/33/05/43/207330543.db2.gz QGKLTUMGWSEXQY-HXUWFJFHSA-N 0 3 360.404 2.608 50 0 FFAAHN CN(C)CCN(C(=O)c1cn(Cc2ccc(F)cc2)nn1)C1CCCCC1 ZINC000012092034 207336786 /nfs/dbraw/zinc/33/67/86/207336786.db2.gz USRGPJYTHBNLSX-UHFFFAOYSA-N 0 3 373.476 2.802 50 0 FFAAHN C[C@H](O)CCN1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000012314055 207358026 /nfs/dbraw/zinc/35/80/26/207358026.db2.gz GRJVFOGRDMYJBA-KRWDZBQOSA-N 0 3 360.498 2.927 50 0 FFAAHN CN(CCc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2cnn(C)c2)C1 ZINC000012431579 207373999 /nfs/dbraw/zinc/37/39/99/207373999.db2.gz ACJSLWBRKYWBIB-CFGKVWFZSA-N 0 3 352.482 2.599 50 0 FFAAHN Cc1ccccc1Sc1nccnc1SCC(=O)NCCN(C)C ZINC000033288939 208082161 /nfs/dbraw/zinc/08/21/61/208082161.db2.gz BTRRBCNGSWWRSK-UHFFFAOYSA-N 0 3 362.524 2.706 50 0 FFAAHN COCCCN(Cc1ccccc1F)C[C@H](O)COCc1ccco1 ZINC000036030888 208141108 /nfs/dbraw/zinc/14/11/08/208141108.db2.gz CXPVDEYYJLZHCD-KRWDZBQOSA-N 0 3 351.418 2.835 50 0 FFAAHN CC(C)c1cc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)[nH]n1 ZINC000039478621 208211116 /nfs/dbraw/zinc/21/11/16/208211116.db2.gz PNWMTESOGKDSLL-HXUWFJFHSA-N 0 3 356.514 2.644 50 0 FFAAHN CC(C)c1cc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)n[nH]1 ZINC000039478621 208211126 /nfs/dbraw/zinc/21/11/26/208211126.db2.gz PNWMTESOGKDSLL-HXUWFJFHSA-N 0 3 356.514 2.644 50 0 FFAAHN O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NC1CCN(C2CC2)CC1 ZINC000048236073 208392450 /nfs/dbraw/zinc/39/24/50/208392450.db2.gz LVWOQAQFUYNKAK-DAFODLJHSA-N 0 3 362.857 2.867 50 0 FFAAHN O=C(c1cnn2c1CCCC2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000077321649 208898236 /nfs/dbraw/zinc/89/82/36/208898236.db2.gz OTTUECZZOQGFEJ-UHFFFAOYSA-N 0 3 368.525 2.946 50 0 FFAAHN Cc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 ZINC000092002145 209011306 /nfs/dbraw/zinc/01/13/06/209011306.db2.gz GTBHIWKEAIQMSJ-AZUAARDMSA-N 0 3 370.472 2.844 50 0 FFAAHN NC(=O)CCN(CCc1ccccc1)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000092097435 209017471 /nfs/dbraw/zinc/01/74/71/209017471.db2.gz NWZOFXUXQPHWRI-UHFFFAOYSA-N 0 3 367.424 3.000 50 0 FFAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000095388884 209045947 /nfs/dbraw/zinc/04/59/47/209045947.db2.gz HSYKOQKSIKDEKH-QGZVFWFLSA-N 0 3 358.461 2.533 50 0 FFAAHN CCOCCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095380140 209040362 /nfs/dbraw/zinc/04/03/62/209040362.db2.gz FXFXCHOZGXSXBC-CEWLAPEOSA-N 0 3 358.482 2.510 50 0 FFAAHN COc1ccc(NC(=O)CC[C@@H]2CCCN(CCn3cnnc3)C2)c(C)c1 ZINC000095500059 209061775 /nfs/dbraw/zinc/06/17/75/209061775.db2.gz JVFNMCODUARCJU-KRWDZBQOSA-N 0 3 371.485 2.726 50 0 FFAAHN Cc1ccc(CNC(=O)C2CCN(C[C@](C)(O)C(F)(F)F)CC2)cc1 ZINC000330391687 258162707 /nfs/dbraw/zinc/16/27/07/258162707.db2.gz PIHWPUUYUKVOKX-KRWDZBQOSA-N 0 3 358.404 2.637 50 0 FFAAHN NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(CC2CCOCC2)CC1 ZINC000332158560 258216809 /nfs/dbraw/zinc/21/68/09/258216809.db2.gz YBUUPUQGFVLAHI-QGZVFWFLSA-N 0 3 351.878 2.961 50 0 FFAAHN Cn1ccnc1C1CCN(CCC(=O)N2CCCc3ccccc32)CC1 ZINC000091745363 132203760 /nfs/dbraw/zinc/20/37/60/132203760.db2.gz RNUWFHPVFUEYTO-UHFFFAOYSA-N 0 3 352.482 2.969 50 0 FFAAHN CCN1CC[C@@]2(CN(c3cc(C(F)(F)F)ccn3)CCN2C)CCC1=O ZINC000095352433 132206755 /nfs/dbraw/zinc/20/67/55/132206755.db2.gz UTOCXDLNRHCNOG-QGZVFWFLSA-N 0 3 370.419 2.623 50 0 FFAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ncccc1F)C2 ZINC000095362350 132207751 /nfs/dbraw/zinc/20/77/51/132207751.db2.gz CYDULFZOVFVYMP-HLIPFELVSA-N 0 3 363.477 2.565 50 0 FFAAHN Cc1ccc(-c2ccnc(N3CCC(N4CCC(O)CC4)CC3)n2)c(C)n1 ZINC000071385503 136139025 /nfs/dbraw/zinc/13/90/25/136139025.db2.gz HEAHUULYEVIGGM-UHFFFAOYSA-N 0 3 367.497 2.581 50 0 FFAAHN COc1cc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)ccc1F ZINC000095522226 209074370 /nfs/dbraw/zinc/07/43/70/209074370.db2.gz 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/nfs/dbraw/zinc/29/21/21/506292121.db2.gz JLJMOTFRMIXSKK-NRFANRHFSA-N 0 3 350.462 2.865 50 0 FFAAHN COCCN1CC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CCC2)C1 ZINC000065499839 506310636 /nfs/dbraw/zinc/31/06/36/506310636.db2.gz IFYVAYUTVYFPIN-HNNXBMFYSA-N 0 3 350.890 2.846 50 0 FFAAHN Cc1ccc(C(=O)N2CCC(CC(=O)NCCN3CCCCC3)CC2)cc1 ZINC000032974171 506320239 /nfs/dbraw/zinc/32/02/39/506320239.db2.gz KBQKBIKZAIKPLO-UHFFFAOYSA-N 0 3 371.525 2.839 50 0 FFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)[nH]c2ccccc21 ZINC000003337113 506321498 /nfs/dbraw/zinc/32/14/98/506321498.db2.gz ZJYBCPCFTOJYQT-UHFFFAOYSA-N 0 3 361.445 2.923 50 0 FFAAHN O=C(CN1CCC[C@@H]1CCc1ccccc1)NC1CCC2(CC1)OCCO2 ZINC000053183187 506328570 /nfs/dbraw/zinc/32/85/70/506328570.db2.gz PZMCBDSVIUBXJW-HXUWFJFHSA-N 0 3 372.509 2.886 50 0 FFAAHN Cc1c(NC(=O)[C@@H](C)N2C[C@H](C)C[C@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000035335163 506380716 /nfs/dbraw/zinc/38/07/16/506380716.db2.gz SYGMLVDCRSEUQO-HLLBOEOZSA-N 0 3 370.497 2.789 50 0 FFAAHN C[C@H](NC[C@H](O)COc1ccc2ccccc2c1)[C@H](O)c1ccc(O)cc1 ZINC000006083741 506465969 /nfs/dbraw/zinc/46/59/69/506465969.db2.gz JMVYEBIJCGPPPF-LVWPNOBMSA-N 0 3 367.445 2.997 50 0 FFAAHN Cc1cc(C)cc(C(=O)NCC(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000040158562 506477374 /nfs/dbraw/zinc/47/73/74/506477374.db2.gz BYIOXSBQSKTCMQ-UHFFFAOYSA-N 0 3 371.525 2.758 50 0 FFAAHN CN(C)C[C@H](O)COc1ccc(Br)cc1Br ZINC000012420352 506862581 /nfs/dbraw/zinc/86/25/81/506862581.db2.gz GGBVNYZQGSIRJO-VIFPVBQESA-N 0 3 353.054 2.513 50 0 FFAAHN Cc1cccc2[nH]c(CN(C)c3nc(C)nc4c3CCN(C)CC4)nc21 ZINC000067459813 506888538 /nfs/dbraw/zinc/88/85/38/506888538.db2.gz RKBGXNYRKAPYEJ-UHFFFAOYSA-N 0 3 350.470 2.637 50 0 FFAAHN Cc1cccc2nc(CN(C)c3nc(C)nc4c3CCN(C)CC4)[nH]c21 ZINC000067459813 506888546 /nfs/dbraw/zinc/88/85/46/506888546.db2.gz RKBGXNYRKAPYEJ-UHFFFAOYSA-N 0 3 350.470 2.637 50 0 FFAAHN COc1ccc([C@@H]2CCCN2CCC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000012797470 506904764 /nfs/dbraw/zinc/90/47/64/506904764.db2.gz 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/nfs/dbraw/zinc/03/13/34/507031334.db2.gz PBFFIYVFBATOQT-UHFFFAOYSA-N 0 3 360.465 2.664 50 0 FFAAHN CC(=O)N1CCc2cc([C@@H](O)CN3CCN(C4CCCCC4)CC3)ccc21 ZINC000020287193 507217984 /nfs/dbraw/zinc/21/79/84/507217984.db2.gz XJKPYIZXRCACMI-QFIPXVFZSA-N 0 3 371.525 2.579 50 0 FFAAHN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCCN(C)C ZINC000020979138 507240439 /nfs/dbraw/zinc/24/04/39/507240439.db2.gz YPQXSSKZEMPZEK-UHFFFAOYSA-N 0 3 351.454 2.571 50 0 FFAAHN COCCN1CC[C@@H](CNC(=O)Nc2nnc(C3CCCCC3)s2)C1 ZINC000058112316 507371464 /nfs/dbraw/zinc/37/14/64/507371464.db2.gz UGTQUPKNGYWSKK-ZDUSSCGKSA-N 0 3 367.519 2.676 50 0 FFAAHN CN(C)C1(CNC(=O)c2cccc(CS(C)(=O)=O)c2)CCCCCC1 ZINC000023798361 507375729 /nfs/dbraw/zinc/37/57/29/507375729.db2.gz COEPQFBDRMPZHX-UHFFFAOYSA-N 0 3 366.527 2.616 50 0 FFAAHN COc1ccc(CN2CCN(C(=O)c3[nH]nc4ccccc43)CC2)cc1 ZINC000024119431 507395072 /nfs/dbraw/zinc/39/50/72/507395072.db2.gz AIQNFWAPOVXOBJ-UHFFFAOYSA-N 0 3 350.422 2.530 50 0 FFAAHN CNC(=O)c1ccc(CN(C)C(=O)[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000058311129 507402658 /nfs/dbraw/zinc/40/26/58/507402658.db2.gz GMKIWHYTVAQDFP-FQEVSTJZSA-N 0 3 365.477 2.669 50 0 FFAAHN CCN1CCN(Cc2ccc(CNC(=O)c3scnc3C)cc2)CC1 ZINC000048332497 507503619 /nfs/dbraw/zinc/50/36/19/507503619.db2.gz SVHUCADXOUTKFD-UHFFFAOYSA-N 0 3 358.511 2.519 50 0 FFAAHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cc1cn2ccccc2n1 ZINC000060367735 507533486 /nfs/dbraw/zinc/53/34/86/507533486.db2.gz PFYNGQXVYZFVDI-UHFFFAOYSA-N 0 3 372.419 2.745 50 0 FFAAHN CCc1ccc(OCC(=O)NCC2(N3CCN(C)CC3)CCCCC2)cc1 ZINC000027744321 507679988 /nfs/dbraw/zinc/67/99/88/507679988.db2.gz YGILDSRXIWCPNM-UHFFFAOYSA-N 0 3 373.541 2.694 50 0 FFAAHN CC(C)[C@H]1CN(C(=O)N2CCOCC2)CCCN1Cc1ccc(F)cc1 ZINC000071681150 507708163 /nfs/dbraw/zinc/70/81/63/507708163.db2.gz FTCWIQMQAIQQKI-LJQANCHMSA-N 0 3 363.477 2.810 50 0 FFAAHN COc1cc(N2C[C@H](c3ccccc3OC)[C@@H]3[C@H]2C2CCN3CC2)ncn1 ZINC000072169694 507769039 /nfs/dbraw/zinc/76/90/39/507769039.db2.gz 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ZINC000091769103 508010821 /nfs/dbraw/zinc/01/08/21/508010821.db2.gz LVJACRBJPUYXTO-UHFFFAOYSA-N 0 3 373.526 2.964 50 0 FFAAHN O=C1N(CCO)CCC[C@]12CCN(Cc1ccccc1C(F)(F)F)C2 ZINC000091808478 508015040 /nfs/dbraw/zinc/01/50/40/508015040.db2.gz ZJJADHZKVNRUNR-QGZVFWFLSA-N 0 3 356.388 2.512 50 0 FFAAHN O=c1cc(CN2CCCC[C@H]2CCN2CCOCC2)[nH]c2ccccc12 ZINC000077302656 508296877 /nfs/dbraw/zinc/29/68/77/508296877.db2.gz OSEKGHLHWAVRKH-SFHVURJKSA-N 0 3 355.482 2.605 50 0 FFAAHN O=C(NCCN1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1)c1ccccc1 ZINC000077385447 508308766 /nfs/dbraw/zinc/30/87/66/508308766.db2.gz SQBQNAXRPLLCGQ-QFIPXVFZSA-N 0 3 369.509 2.531 50 0 FFAAHN COc1cc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c(Cl)cc1O ZINC000104400571 508334023 /nfs/dbraw/zinc/33/40/23/508334023.db2.gz NKYSKICPNAZATB-OAHLLOKOSA-N 0 3 370.921 2.969 50 0 FFAAHN CC(C)(C)CN1CCN(Cc2cnn(-c3cccc(F)c3)c2)C[C@H]1CCO ZINC000104391421 508334087 /nfs/dbraw/zinc/33/40/87/508334087.db2.gz FWEDTDVEGFWGHN-HXUWFJFHSA-N 0 3 374.504 2.926 50 0 FFAAHN C[C@H](CNC(=O)Nc1cccc(CN2CCOC2=O)c1)N1CCC[C@H](C)C1 ZINC000106085430 508392362 /nfs/dbraw/zinc/39/23/62/508392362.db2.gz FRNFXJMWMSVIDH-JKSUJKDBSA-N 0 3 374.485 2.881 50 0 FFAAHN c1ccc(OCc2cccnc2)c(CNC[C@@H]2CN(C3CC3)CCO2)c1 ZINC000106380641 508400038 /nfs/dbraw/zinc/40/00/38/508400038.db2.gz CXCKFJATNIIEBN-HXUWFJFHSA-N 0 3 353.466 2.613 50 0 FFAAHN O[C@H](COc1ccccc1-c1nnco1)CN1CCc2ccccc2C1 ZINC000154460634 508789071 /nfs/dbraw/zinc/78/90/71/508789071.db2.gz FDBAZBSSEUVLEX-KRWDZBQOSA-N 0 3 351.406 2.535 50 0 FFAAHN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000248026069 509218333 /nfs/dbraw/zinc/21/83/33/509218333.db2.gz NSQYFGBSTQTYQQ-KNBMTAEXSA-N 0 3 354.450 2.504 50 0 FFAAHN O=C(COc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1)N1CCCC1 ZINC000215069416 509243887 /nfs/dbraw/zinc/24/38/87/509243887.db2.gz DZUADSNMSLYEGZ-UHFFFAOYSA-N 0 3 368.481 2.791 50 0 FFAAHN CC(C)c1cc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c([O-])c(C(C)C)c1 ZINC000216470370 509261742 /nfs/dbraw/zinc/26/17/42/509261742.db2.gz JOALCNGFHLHQDR-KRWDZBQOSA-N 0 3 359.514 2.759 50 0 FFAAHN CN1CCN(CC[C@H]2CCCCN2C(=O)CSc2ccccc2)CC1 ZINC000219488791 509288921 /nfs/dbraw/zinc/28/89/21/509288921.db2.gz OYQDOUKOAMLKLR-GOSISDBHSA-N 0 3 361.555 2.797 50 0 FFAAHN CC(C)[C@H](NC(=O)C1(c2ccccc2)CCN(C)CC1)c1nccn1C ZINC000223682164 509345386 /nfs/dbraw/zinc/34/53/86/509345386.db2.gz MYAALZDRYXOSGQ-SFHVURJKSA-N 0 3 354.498 2.897 50 0 FFAAHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2CCN(C(=O)C3CC3)CC2)C1 ZINC000229625734 509427194 /nfs/dbraw/zinc/42/71/94/509427194.db2.gz QNVMJSAATSRWSN-OXJNMPFZSA-N 0 3 369.509 2.587 50 0 FFAAHN C[C@@H]1CN(Cc2ccccc2CNCc2cccc(C(N)=O)c2)C[C@@H](C)O1 ZINC000237412716 509642260 /nfs/dbraw/zinc/64/22/60/509642260.db2.gz KPEGKQMEQPOXLY-IAGOWNOFSA-N 0 3 367.493 2.685 50 0 FFAAHN CC(C)Oc1ccccc1CNC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000240886169 509841612 /nfs/dbraw/zinc/84/16/12/509841612.db2.gz INMLJQADOSQOIC-IRXDYDNUSA-N 0 3 364.486 2.791 50 0 FFAAHN CN(C)[C@H](C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1)c1ccc2c(c1)OCO2 ZINC000244633673 509860829 /nfs/dbraw/zinc/86/08/29/509860829.db2.gz GHKCFCAEPUHGCB-SFHVURJKSA-N 0 3 372.469 2.697 50 0 FFAAHN O=C(c1ccccc1C(F)(F)F)N1CCN([C@@H]2CN3CCC2CC3)CC1 ZINC000244900141 509877409 /nfs/dbraw/zinc/87/74/09/509877409.db2.gz ZWTBFIATHXOWTJ-QGZVFWFLSA-N 0 3 367.415 2.557 50 0 FFAAHN CCN(C[C@@H](O)COCC(C)C)C[C@H]1CC(c2ccc(OC)cc2)=NO1 ZINC000245325525 509886383 /nfs/dbraw/zinc/88/63/83/509886383.db2.gz AOTABTQPJOLIPQ-IEBWSBKVSA-N 0 3 364.486 2.544 50 0 FFAAHN C[C@@H](c1ccc(OC(F)F)cc1)N1CCC(CNS(C)(=O)=O)CC1 ZINC000285564023 510957319 /nfs/dbraw/zinc/95/73/19/510957319.db2.gz VQTMBORKZSAJJR-LBPRGKRZSA-N 0 3 362.442 2.610 50 0 FFAAHN CN1CCC(N(Cc2ccccc2)C(=O)c2ncn(C(C)(C)C)n2)CC1 ZINC000292361090 511566925 /nfs/dbraw/zinc/56/69/25/511566925.db2.gz PVPXTVQXYSPRRP-UHFFFAOYSA-N 0 3 355.486 2.770 50 0 FFAAHN COc1ccc2nc(CCN(C)C(=O)C[C@H](C)n3ccnc3C)[nH]c2c1 ZINC000299763041 511672225 /nfs/dbraw/zinc/67/22/25/511672225.db2.gz OHKMWIPZMFSSTK-ZDUSSCGKSA-N 0 3 355.442 2.729 50 0 FFAAHN COCc1ccc(CN2CCOc3ccc([C@@](C)(O)CN(C)C)cc3C2)o1 ZINC000299765828 511673213 /nfs/dbraw/zinc/67/32/13/511673213.db2.gz BWRVNGLWUOEGOJ-NRFANRHFSA-N 0 3 374.481 2.590 50 0 FFAAHN CCc1oc2c(cccc2NC(=O)NCCN2CCC[C@H](C(N)=O)C2)c1C ZINC000299767066 511673566 /nfs/dbraw/zinc/67/35/66/511673566.db2.gz DMLMSJVTXCECCQ-AWEZNQCLSA-N 0 3 372.469 2.622 50 0 FFAAHN Cc1c(NC(=O)N2CCC[C@]3(CCN(C)C3)C2)cccc1C(=O)N(C)C ZINC000299796214 511684504 /nfs/dbraw/zinc/68/45/04/511684504.db2.gz NJXAHGDFYZRQPS-HXUWFJFHSA-N 0 3 358.486 2.646 50 0 FFAAHN CO[C@]12CCN(Cc3cccnc3N)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000299798117 511686037 /nfs/dbraw/zinc/68/60/37/511686037.db2.gz PRMMZJFQDLZCRS-FUHIMQAGSA-N 0 3 354.454 2.650 50 0 FFAAHN CC(C)Oc1ccccc1-c1cccc(C(=O)NC[C@H]2CNCCO2)c1 ZINC000426534447 513972452 /nfs/dbraw/zinc/97/24/52/513972452.db2.gz MDRLXDKTPBCMSX-GOSISDBHSA-N 0 3 354.450 2.859 50 0 FFAAHN CCOC(=O)N1CCC(NC(=O)c2ccc(-c3cnccc3N)cc2)CC1 ZINC000426593709 513989998 /nfs/dbraw/zinc/98/99/98/513989998.db2.gz KSXACNABBBECAP-UHFFFAOYSA-N 0 3 368.437 2.512 50 0 FFAAHN CC[C@H](CNC(=O)N(C)Cc1nc2ccccc2n1C)N1CCCCC1 ZINC000534581230 517950324 /nfs/dbraw/zinc/95/03/24/517950324.db2.gz QWRPXIRFYMKVEQ-MRXNPFEDSA-N 0 3 357.502 2.979 50 0 FFAAHN COc1ccc(-c2noc([C@@H](C)NC(=O)N(C)CCN3CCCC3)n2)cc1 ZINC000534587306 517955817 /nfs/dbraw/zinc/95/58/17/517955817.db2.gz WMRZHHRBCIHHSV-CQSZACIVSA-N 0 3 373.457 2.543 50 0 FFAAHN COc1nn(C)cc1C(=O)NC[C@@H](c1csc2ccccc21)N(C)C ZINC000575622193 518239423 /nfs/dbraw/zinc/23/94/23/518239423.db2.gz XLZFQMPRQKELKD-HNNXBMFYSA-N 0 3 358.467 2.676 50 0 FFAAHN CCCN1CCCn2nc(CNC(=O)[C@H]3CCc4ccccc4C3)cc2C1 ZINC000082083926 519855479 /nfs/dbraw/zinc/85/54/79/519855479.db2.gz YRBCYLWRKHCPBY-IBGZPJMESA-N 0 3 366.509 2.920 50 0 FFAAHN CCc1n[nH]c(C(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)c1C ZINC000082108969 522131907 /nfs/dbraw/zinc/13/19/07/522131907.db2.gz ZYXJMMTWAPPLAQ-UHFFFAOYSA-N 0 3 370.501 2.555 50 0 FFAAHN Cc1cccc(CN2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)n1 ZINC000082098297 524396898 /nfs/dbraw/zinc/39/68/98/524396898.db2.gz HEIMLMFUXGNGOF-NRFANRHFSA-N 0 3 367.497 2.560 50 0 FFAAHN Cc1cccc(CN2CCC[C@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)n1 ZINC000082098297 524396901 /nfs/dbraw/zinc/39/69/01/524396901.db2.gz HEIMLMFUXGNGOF-NRFANRHFSA-N 0 3 367.497 2.560 50 0 FFAAHN Cc1ccc(CN2CCC(c3nnc(Cn4ccnc4C)n3C)CC2)o1 ZINC000091616748 524442621 /nfs/dbraw/zinc/44/26/21/524442621.db2.gz VYXIUNJADVUQMO-UHFFFAOYSA-N 0 3 354.458 2.649 50 0 FFAAHN Cc1ccc(CN2CCN(Cc3cc(C(C)C)[nH]n3)C[C@@H]2CCO)cc1 ZINC000019790837 524457958 /nfs/dbraw/zinc/45/79/58/524457958.db2.gz ZEMRBBGYXDQHRM-FQEVSTJZSA-N 0 3 356.514 2.910 50 0 FFAAHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc(-c2cn(-c3ccccc3)cn2)cc1 ZINC000082156493 526559464 /nfs/dbraw/zinc/55/94/64/526559464.db2.gz GKXUYGBNOSHTSK-ROUUACIJSA-N 0 3 364.424 2.969 50 0 FFAAHN COc1ncc(CN2C[C@H](c3nnc(C(C)C)[nH]3)[C@@H](C3CC3)C2)c(C)n1 ZINC000685941741 571102007 /nfs/dbraw/zinc/10/20/07/571102007.db2.gz AUCOLLSSOQZJHR-CVEARBPZSA-N 0 3 356.474 2.661 50 0 FFAAHN C[C@H](Cc1ccccc1)NCCS(=O)(=O)N[C@H](C)Cc1ccccc1 ZINC000669368692 571173826 /nfs/dbraw/zinc/17/38/26/571173826.db2.gz CVBWMLQFSONOFO-QZTJIDSGSA-N 0 3 360.523 2.758 50 0 FFAAHN C[C@@H]1CN(Cc2ccc3c[nH]nc3c2)CCN1C[C@@H](O)c1ccccc1 ZINC000584908331 571320076 /nfs/dbraw/zinc/32/00/76/571320076.db2.gz FWCCWONVMKPSGM-IIBYNOLFSA-N 0 3 350.466 2.803 50 0 FFAAHN C[C@@H](CCC(=O)Nc1cc(Cl)ccc1N(C)C)N1CCN(C)CC1 ZINC000952978421 740472273 /nfs/dbraw/zinc/47/22/73/740472273.db2.gz CGQUPRCDAQUEKF-AWEZNQCLSA-N 0 3 352.910 2.761 50 0 FFAAHN CCN1CCN(C(=O)[C@@H]2OCCN(C3CCCC3)[C@H]2c2ccccc2)CC1 ZINC000675010227 971484215 /nfs/dbraw/zinc/48/42/15/971484215.db2.gz HEZNYTBSBZJPKX-LEWJYISDSA-N 0 3 371.525 2.535 50 0 FFAAHN COCCc1nc(CO[C@H]2CCCN(Cc3ccc4[nH]ccc4c3)C2)no1 ZINC000675017526 971491161 /nfs/dbraw/zinc/49/11/61/971491161.db2.gz VBICCZUERAZUOW-KRWDZBQOSA-N 0 3 370.453 2.921 50 0 FFAAHN Cc1ccc(-c2cccc(CN3CC[C@@H](N4CCOCC4)[C@H](O)C3)c2)o1 ZINC000023128986 967136066 /nfs/dbraw/zinc/13/60/66/967136066.db2.gz HVPHRHYVBBFOGI-WOJBJXKFSA-N 0 3 356.466 2.522 50 0 FFAAHN O=C(NCCn1ccnc1)[C@@H]1CC12CCN(C/C=C/c1ccccc1)CC2 ZINC000042460188 1000457475 /nfs/dbraw/zinc/45/74/75/1000457475.db2.gz QYTDFVBRXBYGIT-PDGUBNMISA-N 0 3 364.493 2.815 50 0 FFAAHN CNC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccco3)C2)c(C)c1 ZINC000952983538 1011037387 /nfs/dbraw/zinc/03/73/87/1011037387.db2.gz GVAGRAPEYPKXGP-INIZCTEOSA-N 0 3 355.438 2.798 50 0 FFAAHN CN1CCCN(c2ncccc2CNC(=O)Cc2ccccc2Cl)CC1 ZINC000067740562 1019184793 /nfs/dbraw/zinc/18/47/93/1019184793.db2.gz NFYWYWGGUHUPBK-UHFFFAOYSA-N 0 3 372.900 2.736 50 0 FFAAHN CCN1CCC(N(CCc2ccccn2)C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000097805753 209199000 /nfs/dbraw/zinc/19/90/00/209199000.db2.gz KXICJMWNZMTOGF-UHFFFAOYSA-N 0 3 367.497 2.851 50 0 FFAAHN CSCCN1CCC(NC(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000097568912 209185360 /nfs/dbraw/zinc/18/53/60/209185360.db2.gz FKGOTDHUMMRPAH-UHFFFAOYSA-N 0 3 350.488 2.594 50 0 FFAAHN COc1ccc(S(=O)(=O)NCCCN2CCCC2)c(Cl)c1Cl ZINC000013670854 220082209 /nfs/dbraw/zinc/08/22/09/220082209.db2.gz RGUSBCHTHCTTAT-UHFFFAOYSA-N 0 3 367.298 2.766 50 0 FFAAHN Cc1nccn1Cc1nc(COc2ccccc2)nn1C1CCN(C)CC1 ZINC000096142306 209122330 /nfs/dbraw/zinc/12/23/30/209122330.db2.gz ZTLDYAPJZHKHKX-UHFFFAOYSA-N 0 3 366.469 2.677 50 0 FFAAHN CCn1cc(-c2cccc(C(=O)N(CCN(C)C)C[C@H]3CCCO3)c2)cn1 ZINC000299778265 206644955 /nfs/dbraw/zinc/64/49/55/206644955.db2.gz PCYFYVGACIGINC-HXUWFJFHSA-N 0 3 370.497 2.753 50 0 FFAAHN COc1cccc(CNCCSc2nnnn2-c2ccccc2)c1OC ZINC000004993776 207070059 /nfs/dbraw/zinc/07/00/59/207070059.db2.gz ZRKXMGHFBXZIGX-UHFFFAOYSA-N 0 3 371.466 2.561 50 0 FFAAHN COc1cccc([C@H](CNc2nnnn2-c2ccccc2)N2CCCC2)c1 ZINC000008755294 207247438 /nfs/dbraw/zinc/24/74/38/207247438.db2.gz WSCVLHAVVFFFEC-IBGZPJMESA-N 0 3 364.453 2.920 50 0 FFAAHN COc1cc(CN[C@H]2CCSc3ccccc32)ccc1OCC(N)=O ZINC000008882660 207251010 /nfs/dbraw/zinc/25/10/10/207251010.db2.gz QNELXTZAOQCWPO-HNNXBMFYSA-N 0 3 358.463 2.886 50 0 FFAAHN CCCC[C@H]1CN(CCC(=O)NCCc2cn[nH]c2)Cc2ccccc2O1 ZINC000011972784 207333433 /nfs/dbraw/zinc/33/34/33/207333433.db2.gz WEBQYONKXAEYAY-IBGZPJMESA-N 0 3 370.497 2.912 50 0 FFAAHN Cc1cccnc1CN(C)C[C@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000012318458 207360882 /nfs/dbraw/zinc/36/08/82/207360882.db2.gz KUNPELAUNUFBLJ-OAQYLSRUSA-N 0 3 359.514 2.756 50 0 FFAAHN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1cnsn1 ZINC000012439612 207376544 /nfs/dbraw/zinc/37/65/44/207376544.db2.gz YPODPTQGVUMUAS-AWEZNQCLSA-N 0 3 362.474 2.704 50 0 FFAAHN CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)CCN2CCCCO2)C1 ZINC000012587576 207398504 /nfs/dbraw/zinc/39/85/04/207398504.db2.gz JDPVHJUEHLBUOY-HXUWFJFHSA-N 0 3 359.514 2.569 50 0 FFAAHN Cc1ccc(OCCNCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000016695460 207593970 /nfs/dbraw/zinc/59/39/70/207593970.db2.gz WMAUEVYEAXFLLT-MRXNPFEDSA-N 0 3 370.449 2.612 50 0 FFAAHN COc1ccc([C@H](CNC(=O)/C=C/c2ccc3c(c2)OCO3)N(C)C)cc1 ZINC000022414427 207808287 /nfs/dbraw/zinc/80/82/87/207808287.db2.gz WWIJFCLGXNVGQL-CZIMKVFHSA-N 0 3 368.433 2.856 50 0 FFAAHN COC(=O)C1=C(CN2CCC[C@H](C)C2)NC(=O)N[C@H]1c1ccccc1C ZINC000034087025 208102035 /nfs/dbraw/zinc/10/20/35/208102035.db2.gz FSUIGPQIJFZONB-UGSOOPFHSA-N 0 3 357.454 2.508 50 0 FFAAHN C[C@H](C(=O)NCCN1CCCC[C@@H]1C)N1c2ccccc2CCCC1=O ZINC000033249781 208077213 /nfs/dbraw/zinc/07/72/13/208077213.db2.gz GYDDIDNKWJGAID-DLBZAZTESA-N 0 3 357.498 2.735 50 0 FFAAHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1cc(-c2cc(C)no2)cs1 ZINC000033290238 208083906 /nfs/dbraw/zinc/08/39/06/208083906.db2.gz DMRQWWPNISKAGJ-UHFFFAOYSA-N 0 3 357.501 2.722 50 0 FFAAHN CC(C)n1cc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)cn1 ZINC000036385607 208160470 /nfs/dbraw/zinc/16/04/70/208160470.db2.gz KUYVVCRHPIKEMS-OAQYLSRUSA-N 0 3 356.514 2.575 50 0 FFAAHN O=C(CCNC(=O)c1ccc(Cl)cc1)N1CCN(C2CCCC2)CC1 ZINC000045083284 208324796 /nfs/dbraw/zinc/32/47/96/208324796.db2.gz TYRGZIFSDVQGDI-UHFFFAOYSA-N 0 3 363.889 2.547 50 0 FFAAHN CCN1CCN(Cc2ccccc2CNC(=O)NCC2CCCC2)CC1 ZINC000046121200 208361174 /nfs/dbraw/zinc/36/11/74/208361174.db2.gz PEHZLVNDIPBGMF-UHFFFAOYSA-N 0 3 358.530 2.814 50 0 FFAAHN CC(C)n1cnnc1SCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000047442161 208377820 /nfs/dbraw/zinc/37/78/20/208377820.db2.gz YDIOZKXNFSVTGK-KRWDZBQOSA-N 0 3 373.526 2.904 50 0 FFAAHN CN1CCN(Cc2ccc(CNC(=O)c3cc(F)cc(F)c3)cc2)CC1 ZINC000047255209 208376522 /nfs/dbraw/zinc/37/65/22/208376522.db2.gz HUVKBDRVHKJZEU-UHFFFAOYSA-N 0 3 359.420 2.642 50 0 FFAAHN Cc1cc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)n(C)n1 ZINC000072144345 208808343 /nfs/dbraw/zinc/80/83/43/208808343.db2.gz RSHVTVMSBXRNQE-CEWLAPEOSA-N 0 3 364.493 2.739 50 0 FFAAHN COc1cccc([C@H]2CN(C(=O)CCSC)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095355363 209024472 /nfs/dbraw/zinc/02/44/72/209024472.db2.gz RVNQRQIRFVORRD-MISYRCLQSA-N 0 3 360.523 2.837 50 0 FFAAHN Cc1ccc(F)cc1CN1CCC[C@@H](c2nnc(Cn3cccn3)n2C)C1 ZINC000095363171 209029837 /nfs/dbraw/zinc/02/98/37/209029837.db2.gz SDEAXKUGSPORPO-MRXNPFEDSA-N 0 3 368.460 2.887 50 0 FFAAHN Cc1ccc2nc(CNC(=O)[C@H]3CCCN(Cc4ccco4)C3)cn2c1 ZINC000095385422 209043800 /nfs/dbraw/zinc/04/38/00/209043800.db2.gz GWNPDHBVVYKKFG-INIZCTEOSA-N 0 3 352.438 2.764 50 0 FFAAHN CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(CN2CCCC2)cc1 ZINC000095387448 209044320 /nfs/dbraw/zinc/04/43/20/209044320.db2.gz YLLMXDYEAHVAEO-IBGZPJMESA-N 0 3 357.498 2.755 50 0 FFAAHN CN1CCC(c2nc3c([nH]2)C(=O)NCC(C)(C)C3)(c2ccccc2)CC1 ZINC000095371133 209034434 /nfs/dbraw/zinc/03/44/34/209034434.db2.gz HSAJHLYLUOZOMG-UHFFFAOYSA-N 0 3 352.482 2.734 50 0 FFAAHN Cc1cc(C)cc(CN2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)c1 ZINC000095372877 209034809 /nfs/dbraw/zinc/03/48/09/209034809.db2.gz JFGKXAPSLZRXQO-IFMALSPDSA-N 0 3 356.510 2.889 50 0 FFAAHN CCc1ncc(CN2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000095379637 209040403 /nfs/dbraw/zinc/04/04/03/209040403.db2.gz TXYJXXYSBLTAIA-KSEOMHKRSA-N 0 3 364.493 2.807 50 0 FFAAHN CC[C@@H](NC(=O)C1CCN(Cc2ccco2)CC1)c1cn2cccnc2n1 ZINC000095380814 209041000 /nfs/dbraw/zinc/04/10/00/209041000.db2.gz MBIHUWKUKYBIAZ-QGZVFWFLSA-N 0 3 367.453 2.802 50 0 FFAAHN COc1cc(C)ccc1OCCN1C[C@@H](C(C)C)[C@H](NC(=O)N(C)C)C1 ZINC000095384618 209042670 /nfs/dbraw/zinc/04/26/70/209042670.db2.gz PBVGQVOGRFNHNM-DLBZAZTESA-N 0 3 363.502 2.610 50 0 FFAAHN CN1CC[NH+]([C@H]2CCN(C/C=C/c3ccccc3)C[C@H]2CCC(=O)[O-])CC1 ZINC000095391825 209047106 /nfs/dbraw/zinc/04/71/06/209047106.db2.gz ZATILMZSFGHIRU-OCXKFJFWSA-N 0 3 371.525 2.503 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)Cc1c(C)[nH]nc1-c1ccc(OC)cc1 ZINC000095472749 209057352 /nfs/dbraw/zinc/05/73/52/209057352.db2.gz FYDRBBYVQCMKEH-MRXNPFEDSA-N 0 3 356.470 2.537 50 0 FFAAHN COc1ccc(NC(=O)CC[C@H]2CCCN(CCn3cnnc3)C2)c(C)c1 ZINC000095500060 209061987 /nfs/dbraw/zinc/06/19/87/209061987.db2.gz JVFNMCODUARCJU-QGZVFWFLSA-N 0 3 371.485 2.726 50 0 FFAAHN CCOc1cccc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)c1 ZINC000095519180 209072138 /nfs/dbraw/zinc/07/21/38/209072138.db2.gz YAYMDCRCUARTQH-SFHVURJKSA-N 0 3 370.497 2.863 50 0 FFAAHN Cc1ccc(-c2cn(C[C@H]3CCCN(c4cc(C)nc(N)n4)C3)nn2)cc1 ZINC000065462354 136136507 /nfs/dbraw/zinc/13/65/07/136136507.db2.gz ACQXCJUOEAYMHP-INIZCTEOSA-N 0 3 363.469 2.851 50 0 FFAAHN Cc1ccc([C@@H]2CN(C(=O)c3cc(Cl)c[nH]c3=O)C[C@H]2N(C)C)cc1 ZINC000095529446 209077499 /nfs/dbraw/zinc/07/74/99/209077499.db2.gz CGDDPNHIXNRAHK-DLBZAZTESA-N 0 3 359.857 2.507 50 0 FFAAHN Cc1ccccc1[C@H](C(=O)NC1CCN(Cc2ccco2)CC1)N(C)C ZINC000095531396 209079525 /nfs/dbraw/zinc/07/95/25/209079525.db2.gz DUKNBBUBBCBGKF-HXUWFJFHSA-N 0 3 355.482 2.972 50 0 FFAAHN O[C@@H](CNCCNc1ncccc1C(F)(F)F)COc1ccc(F)cc1 ZINC000002141878 506272285 /nfs/dbraw/zinc/27/22/85/506272285.db2.gz ONWODZGYBGJKFQ-ZDUSSCGKSA-N 0 3 373.350 2.681 50 0 FFAAHN C[C@@H](N[C@@H](Cc1ccccc1)c1ccccc1)C(=O)NC(=O)NC1CC1 ZINC000040017905 506457624 /nfs/dbraw/zinc/45/76/24/506457624.db2.gz FNXMLIZQKCYOFS-BEFAXECRSA-N 0 3 351.450 2.937 50 0 FFAAHN CCN(CCN1CCCCCC1)C(=O)c1cnc(-c2cccnc2)nc1 ZINC000055134017 506685824 /nfs/dbraw/zinc/68/58/24/506685824.db2.gz OPXZHNMUQKBCMH-UHFFFAOYSA-N 0 3 353.470 2.877 50 0 FFAAHN Cc1ccc(CN(CCN(C)C)C(=O)Cn2c(=O)oc3ccccc32)s1 ZINC000055340702 506730539 /nfs/dbraw/zinc/73/05/39/506730539.db2.gz SWBJIXYXCCOFSA-UHFFFAOYSA-N 0 3 373.478 2.555 50 0 FFAAHN CN(C)CCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1 ZINC000010312724 506737986 /nfs/dbraw/zinc/73/79/86/506737986.db2.gz JPDZFLPTOSRICW-UHFFFAOYSA-N 0 3 351.406 2.977 50 0 FFAAHN COc1ccc(/C=C/CN2CCC(n3cc(CN(C)C)nn3)CC2)cc1 ZINC000055385255 506740019 /nfs/dbraw/zinc/74/00/19/506740019.db2.gz ZQTQVQGHRYMFMQ-SNAWJCMRSA-N 0 3 355.486 2.699 50 0 FFAAHN Cc1ccc(C(=O)NCCNc2cc(N3CCCC3)nc(C)n2)c(C)c1 ZINC000067604887 506947133 /nfs/dbraw/zinc/94/71/33/506947133.db2.gz LNKCVQMODBUUPT-UHFFFAOYSA-N 0 3 353.470 2.844 50 0 FFAAHN CCNc1cc(N2CCN(C(=O)c3ccc(C)cc3C)CC2)nc(C)n1 ZINC000067612582 506950117 /nfs/dbraw/zinc/95/01/17/506950117.db2.gz PCSODRHHEZFYHY-UHFFFAOYSA-N 0 3 353.470 2.796 50 0 FFAAHN C[C@@H](Cn1cnc2ccccc2c1=O)NCc1[nH]nc2c1CCCCC2 ZINC000067643507 506959249 /nfs/dbraw/zinc/95/92/49/506959249.db2.gz YECXXQYQXJLEMW-AWEZNQCLSA-N 0 3 351.454 2.567 50 0 FFAAHN C[C@@H](Cn1cnc2ccccc2c1=O)NCc1n[nH]c2c1CCCCC2 ZINC000067643507 506959255 /nfs/dbraw/zinc/95/92/55/506959255.db2.gz YECXXQYQXJLEMW-AWEZNQCLSA-N 0 3 351.454 2.567 50 0 FFAAHN C[C@H](Cn1cnc2ccccc2c1=O)NCc1[nH]nc2c1CCCCC2 ZINC000067643509 506959485 /nfs/dbraw/zinc/95/94/85/506959485.db2.gz YECXXQYQXJLEMW-CQSZACIVSA-N 0 3 351.454 2.567 50 0 FFAAHN C[C@H](Cn1cnc2ccccc2c1=O)NCc1n[nH]c2c1CCCCC2 ZINC000067643509 506959491 /nfs/dbraw/zinc/95/94/91/506959491.db2.gz YECXXQYQXJLEMW-CQSZACIVSA-N 0 3 351.454 2.567 50 0 FFAAHN C[C@H]1CCCCN1C1CN(C(=O)c2cc(COc3ccccc3)n[nH]2)C1 ZINC000067654448 506964523 /nfs/dbraw/zinc/96/45/23/506964523.db2.gz IQSCIBONHIDGAZ-HNNXBMFYSA-N 0 3 354.454 2.688 50 0 FFAAHN Cc1ccc(CN2CCCN(c3ccc(C(=O)NC4CC4)cn3)CC2)cc1 ZINC000014188173 506976206 /nfs/dbraw/zinc/97/62/06/506976206.db2.gz BWHRWWJONJJPKT-UHFFFAOYSA-N 0 3 364.493 2.995 50 0 FFAAHN Cc1nn(C)c2nc(C)cc(C(=O)NCc3ccccc3CN(C)C)c12 ZINC000014815237 507001421 /nfs/dbraw/zinc/00/14/21/507001421.db2.gz GDVKQWGTRSTRKZ-UHFFFAOYSA-N 0 3 351.454 2.577 50 0 FFAAHN CN(C)CCN(C)C(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000014979193 507009291 /nfs/dbraw/zinc/00/92/91/507009291.db2.gz AZVPYRMBMKVPGC-GOSISDBHSA-N 0 3 354.450 2.957 50 0 FFAAHN Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)cc1 ZINC000015072745 507015360 /nfs/dbraw/zinc/01/53/60/507015360.db2.gz UFQGQIPAKHUEFT-IBGZPJMESA-N 0 3 354.454 2.763 50 0 FFAAHN CN(CCN1CCCCC1)C(=O)c1coc(COc2cccc(F)c2)n1 ZINC000015073373 507018376 /nfs/dbraw/zinc/01/83/76/507018376.db2.gz PMLSIIOCGVPEIR-UHFFFAOYSA-N 0 3 361.417 2.951 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)c1cc(COc2cccc(C(C)=O)c2)on1 ZINC000015073997 507018823 /nfs/dbraw/zinc/01/88/23/507018823.db2.gz KRECZTIULKHKNG-INIZCTEOSA-N 0 3 371.437 2.670 50 0 FFAAHN Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(C2CCN(C)CC2)CCO3)n1 ZINC000067919895 507051583 /nfs/dbraw/zinc/05/15/83/507051583.db2.gz YBFOZOSTOXPKBV-UHFFFAOYSA-N 0 3 368.481 2.755 50 0 FFAAHN Fc1ccc(CNCc2cccn2-c2nnc(N3CCOCC3)s2)cc1 ZINC000015728201 507055742 /nfs/dbraw/zinc/05/57/42/507055742.db2.gz KVWKWSASDINVLO-UHFFFAOYSA-N 0 3 373.457 2.594 50 0 FFAAHN Cc1cccc(CNC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)c1 ZINC000067982992 507073791 /nfs/dbraw/zinc/07/37/91/507073791.db2.gz GXLBIIHSDVEAOO-QFIPXVFZSA-N 0 3 352.478 2.681 50 0 FFAAHN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCCCCCC1 ZINC000016484800 507094608 /nfs/dbraw/zinc/09/46/08/507094608.db2.gz YJWHDTWOTBWEAJ-HNNXBMFYSA-N 0 3 367.515 2.530 50 0 FFAAHN COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000020518257 507224496 /nfs/dbraw/zinc/22/44/96/507224496.db2.gz NYZIYAWFNPFJNT-IBGZPJMESA-N 0 3 371.481 2.960 50 0 FFAAHN CC(=O)N1CCc2cc(C(=O)NCc3ccccc3CN(C)C)ccc21 ZINC000021938509 507275711 /nfs/dbraw/zinc/27/57/11/507275711.db2.gz IBVYLTRGYFENGD-UHFFFAOYSA-N 0 3 351.450 2.587 50 0 FFAAHN COC(=O)c1ccc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)cc1 ZINC000022932636 507320849 /nfs/dbraw/zinc/32/08/49/507320849.db2.gz RUZGXZYPKSIOKL-FQEVSTJZSA-N 0 3 360.498 2.675 50 0 FFAAHN CC(C)CCC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058174440 507378797 /nfs/dbraw/zinc/37/87/97/507378797.db2.gz MULIUCPVNWCDSF-LJQANCHMSA-N 0 3 358.530 2.878 50 0 FFAAHN CCN1CCC(NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000058420061 507416824 /nfs/dbraw/zinc/41/68/24/507416824.db2.gz KMZRCQFKFSFQEA-AWEZNQCLSA-N 0 3 366.456 2.575 50 0 FFAAHN COCCCNCc1ccc(-c2ccc(S(=O)(=O)NC(C)C)cc2)o1 ZINC000024761252 507436740 /nfs/dbraw/zinc/43/67/40/507436740.db2.gz BDDMYOMHYADTOK-UHFFFAOYSA-N 0 3 366.483 2.759 50 0 FFAAHN Cc1ccc(S(=O)(=O)N2CCN(c3ccncc3)CC2)c(Cl)c1 ZINC000025370171 507494161 /nfs/dbraw/zinc/49/41/61/507494161.db2.gz DADIXZVAWPNIGE-UHFFFAOYSA-N 0 3 351.859 2.554 50 0 FFAAHN O=c1[nH]nc(C2CCN(Cc3cccc(O)c3)CC2)n1Cc1ccccc1 ZINC000071754051 507712421 /nfs/dbraw/zinc/71/24/21/507712421.db2.gz WVJBNDGBACBGHJ-UHFFFAOYSA-N 0 3 364.449 2.705 50 0 FFAAHN COCc1nc2c(cnn2C)c(NC[C@@H](c2sccc2C)N(C)C)n1 ZINC000072126644 507751250 /nfs/dbraw/zinc/75/12/50/507751250.db2.gz FHDCASKDDPGESP-ZDUSSCGKSA-N 0 3 360.487 2.594 50 0 FFAAHN CC(C)(C)c1ccc(CN2CCN(Cc3cc4n(n3)CCNC4)CC2)cc1 ZINC000072135460 507755032 /nfs/dbraw/zinc/75/50/32/507755032.db2.gz DDEOCCLGGSFNCO-UHFFFAOYSA-N 0 3 367.541 2.602 50 0 FFAAHN N[C@@H]1c2ccccc2C2(CCN(C(=O)c3nccc4ccccc43)CC2)[C@H]1O ZINC000072157828 507764333 /nfs/dbraw/zinc/76/43/33/507764333.db2.gz IJPQOEBEUYIHHX-CTNGQTDRSA-N 0 3 373.456 2.783 50 0 FFAAHN CCN(CCN1CCCC1)C(=O)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000072169554 507769356 /nfs/dbraw/zinc/76/93/56/507769356.db2.gz AKMYYEVPQJQWDZ-UHFFFAOYSA-N 0 3 361.877 2.538 50 0 FFAAHN CN(C)CCN1CC2(CCN(Cc3ccc(F)c(Cl)c3)CC2)OC1=O ZINC000072406766 507783996 /nfs/dbraw/zinc/78/39/96/507783996.db2.gz DEWJGGGCACCEOY-UHFFFAOYSA-N 0 3 369.868 2.828 50 0 FFAAHN Cc1nn(C)c2nc(C)nc(N[C@H]3CCCN(Cc4cccc(O)c4)C3)c12 ZINC000072430984 507790049 /nfs/dbraw/zinc/79/00/49/507790049.db2.gz QOZQVPDJRBNJKC-INIZCTEOSA-N 0 3 366.469 2.762 50 0 FFAAHN Cc1nn(C)c2nc(-c3ccncc3)nc(NC[C@H]3CCCCN3C)c12 ZINC000072453605 507793125 /nfs/dbraw/zinc/79/31/25/507793125.db2.gz ZWJFEQXJFQCLRW-OAHLLOKOSA-N 0 3 351.458 2.630 50 0 FFAAHN Cc1cc(C)c2[nH]c(=O)c(CN3CCC[C@@]4(CN(C)C(=O)O4)C3)cc2c1 ZINC000072447622 507793306 /nfs/dbraw/zinc/79/33/06/507793306.db2.gz PXKYFNYNFSNXOU-HXUWFJFHSA-N 0 3 355.438 2.562 50 0 FFAAHN c1cn(CCCN2CCc3ccccc32)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072476241 507796068 /nfs/dbraw/zinc/79/60/68/507796068.db2.gz LCPVGSOTFKYNGV-UHFFFAOYSA-N 0 3 362.481 2.693 50 0 FFAAHN CCN1CCN(c2ccc(NC(=O)CCNC(=O)C(C)(C)C)c(C)c2)CC1 ZINC000029928323 507796210 /nfs/dbraw/zinc/79/62/10/507796210.db2.gz KNHAUNSFCJTVEW-UHFFFAOYSA-N 0 3 374.529 2.628 50 0 FFAAHN OC1CCN(CCCNc2cc(-c3ccc(F)cc3)nc3ccnn32)CC1 ZINC000072480795 507797504 /nfs/dbraw/zinc/79/75/04/507797504.db2.gz OUVPVZYEVGWRDZ-UHFFFAOYSA-N 0 3 369.444 2.794 50 0 FFAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000079057365 507928787 /nfs/dbraw/zinc/92/87/87/507928787.db2.gz VTFFHMHWHJTJQO-BLLLJJGKSA-N 0 3 356.445 2.983 50 0 FFAAHN Cc1cccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)n1 ZINC000091655891 508000606 /nfs/dbraw/zinc/00/06/06/508000606.db2.gz SAWIGRIYSOXOQJ-UHFFFAOYSA-N 0 3 367.497 2.759 50 0 FFAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1cc[nH]c1C)CC2 ZINC000091746949 508007506 /nfs/dbraw/zinc/00/75/06/508007506.db2.gz LJBDQXHCGJJYOK-UHFFFAOYSA-N 0 3 355.486 2.836 50 0 FFAAHN CN(C)[C@H]1CCCCN(C(=O)Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000082109255 508226361 /nfs/dbraw/zinc/22/63/61/508226361.db2.gz QLWMQTAQNZEZLW-AWEZNQCLSA-N 0 3 352.862 2.596 50 0 FFAAHN C[C@@H](C1CCN(C(=O)c2cc(Cl)ccc2F)CC1)N1CCN(C)CC1 ZINC000082109154 508226380 /nfs/dbraw/zinc/22/63/80/508226380.db2.gz IHLITMBAHCNJCF-AWEZNQCLSA-N 0 3 367.896 2.967 50 0 FFAAHN Cc1nc([C@@H]2CCCN(C(=O)C3([NH+]4CCCC4)CCCC3)C2)cc(=O)[n-]1 ZINC000082160803 508227396 /nfs/dbraw/zinc/22/73/96/508227396.db2.gz TZIASGPZXOPTCA-MRXNPFEDSA-N 0 3 358.486 2.605 50 0 FFAAHN CC(C)CN1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1CCO ZINC000104512915 508336730 /nfs/dbraw/zinc/33/67/30/508336730.db2.gz LBGMSIIXUHNQBW-LJQANCHMSA-N 0 3 360.477 2.740 50 0 FFAAHN Cc1nn(Cc2ccccc2)c(C)c1CNC[C@H]1CN(C2CC2)CCO1 ZINC000106379505 508399954 /nfs/dbraw/zinc/39/99/54/508399954.db2.gz QJNIDUOPUDMAMC-FQEVSTJZSA-N 0 3 354.498 2.501 50 0 FFAAHN COc1ccc(-n2cccn2)c(CN2CCC(c3nccn3C)CC2)c1 ZINC000215134522 509243985 /nfs/dbraw/zinc/24/39/85/509243985.db2.gz VEIRELMTRFOGDO-UHFFFAOYSA-N 0 3 351.454 2.994 50 0 FFAAHN O=C(Cc1ccc(F)cc1Cl)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000220070917 509296703 /nfs/dbraw/zinc/29/67/03/509296703.db2.gz NWKQKDKHKWMCPA-MRXNPFEDSA-N 0 3 354.853 2.781 50 0 FFAAHN CCc1nccn1CC(=O)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 ZINC000221363691 509308793 /nfs/dbraw/zinc/30/87/93/509308793.db2.gz UAQOCRBBYXHKQH-UHFFFAOYSA-N 0 3 355.417 2.867 50 0 FFAAHN COc1cc(NC(=O)CN(CCO)[C@H](C)C2CCCCC2)cc(OC)c1 ZINC000225535520 509375707 /nfs/dbraw/zinc/37/57/07/509375707.db2.gz JTDZCFBHPIRDIM-OAHLLOKOSA-N 0 3 364.486 2.905 50 0 FFAAHN C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000229428738 509425337 /nfs/dbraw/zinc/42/53/37/509425337.db2.gz LCHXPRGVEGQBNL-BQFCYCMXSA-N 0 3 369.465 2.567 50 0 FFAAHN Cc1ccc([C@H](O)CNCc2c(C(C)C)nn(C)c2N2CCOCC2)cc1 ZINC000236886851 509527385 /nfs/dbraw/zinc/52/73/85/509527385.db2.gz XWGISQIWJCPWLB-LJQANCHMSA-N 0 3 372.513 2.512 50 0 FFAAHN CCN(CC)CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1OC ZINC000170623943 509683715 /nfs/dbraw/zinc/68/37/15/509683715.db2.gz UVNUWRWQTGSGQP-UHFFFAOYSA-N 0 3 355.287 2.622 50 0 FFAAHN CC(C)Oc1ccccc1CNC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000240886170 509840978 /nfs/dbraw/zinc/84/09/78/509840978.db2.gz INMLJQADOSQOIC-SJORKVTESA-N 0 3 364.486 2.791 50 0 FFAAHN CN(C)CCn1ncc(C(=O)NCC2(O)CCCCC2)c1-c1ccccc1 ZINC000241719783 509843912 /nfs/dbraw/zinc/84/39/12/509843912.db2.gz QPOMEUOVHVJSBB-UHFFFAOYSA-N 0 3 370.497 2.537 50 0 FFAAHN CN(C[C@@H](O)COc1ccccc1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000252569017 509853074 /nfs/dbraw/zinc/85/30/74/509853074.db2.gz VTZVLKQNHIIZNC-AEFFLSMTSA-N 0 3 364.486 2.661 50 0 FFAAHN COc1ccc([C@@H](N)CC(=O)N2CC(Oc3ccccc3C)C2)cc1OC ZINC000244626583 509861270 /nfs/dbraw/zinc/86/12/70/509861270.db2.gz FOITZQMHSHUWML-KRWDZBQOSA-N 0 3 370.449 2.692 50 0 FFAAHN Cc1nc2cc(C(=O)N3CCCO[C@H](CN4CCCC4)C3)ccc2s1 ZINC000244715854 509865468 /nfs/dbraw/zinc/86/54/68/509865468.db2.gz LDPQVDJEDOGTGZ-MRXNPFEDSA-N 0 3 359.495 2.932 50 0 FFAAHN CC(C)Cc1noc([C@@H]2CCCN(CCC(=O)Nc3cccnc3)C2)n1 ZINC000244741836 509867429 /nfs/dbraw/zinc/86/74/29/509867429.db2.gz NXVHZEGNCQMWQL-OAHLLOKOSA-N 0 3 357.458 2.871 50 0 FFAAHN O=C(CCN1CCC([C@@H](O)Cc2ccccc2)CC1)Nc1nccs1 ZINC000244734387 509867533 /nfs/dbraw/zinc/86/75/33/509867533.db2.gz NEPYQMRMROLOCF-KRWDZBQOSA-N 0 3 359.495 2.787 50 0 FFAAHN CN1C[C@@]2(CCCN(Cc3ccc4c5c3cccc5C(=O)OC4)C2)OC1=O ZINC000244794838 509871196 /nfs/dbraw/zinc/87/11/96/509871196.db2.gz QUXIOHCEUPMTKU-OAQYLSRUSA-N 0 3 366.417 2.927 50 0 FFAAHN CCn1ncc(CN2CCC3(CC[C@H]3OCc3nc(C)no3)CC2)c1C ZINC000257193593 509953681 /nfs/dbraw/zinc/95/36/81/509953681.db2.gz ZDAMAEDOCMBGLE-QGZVFWFLSA-N 0 3 359.474 2.864 50 0 FFAAHN CC1(C)C[C@H](NCc2cccc(N3CCCS3(=O)=O)c2)C(C)(C)O1 ZINC000185296753 510795493 /nfs/dbraw/zinc/79/54/93/510795493.db2.gz PGGYFYCJSSMDQP-INIZCTEOSA-N 0 3 352.500 2.662 50 0 FFAAHN O=c1[nH]c2ccccc2n1C1CCN(C[C@H](O)CCc2ccccc2)CC1 ZINC000182180477 510799010 /nfs/dbraw/zinc/79/90/10/510799010.db2.gz YOXIOOFVBNBERH-LJQANCHMSA-N 0 3 365.477 2.960 50 0 FFAAHN COCC(=O)Nc1ccc(C)c(NC(=O)N2CC(N3CCCC[C@@H]3C)C2)c1 ZINC000299786120 511680820 /nfs/dbraw/zinc/68/08/20/511680820.db2.gz VYLHJOPRKOBYIM-HNNXBMFYSA-N 0 3 374.485 2.670 50 0 FFAAHN CN(CCCc1nccn1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000426415708 513935024 /nfs/dbraw/zinc/93/50/24/513935024.db2.gz ZDKHXSVBURXBGA-UHFFFAOYSA-N 0 3 369.513 2.659 50 0 FFAAHN OCCn1ccc([C@@H]2CCCN(Cc3ccc(-c4cc[nH]n4)s3)C2)n1 ZINC000426434126 513939261 /nfs/dbraw/zinc/93/92/61/513939261.db2.gz PASCYNMSGHMQCL-CQSZACIVSA-N 0 3 357.483 2.707 50 0 FFAAHN C[C@@H]1CCCCN1C1CN(C(=O)NCc2ccc(N3CCCC3=O)cc2)C1 ZINC000426597197 513991755 /nfs/dbraw/zinc/99/17/55/513991755.db2.gz IPIRGLSUSOGXKP-MRXNPFEDSA-N 0 3 370.497 2.582 50 0 FFAAHN CN(C)CCOc1ccccc1-c1ccc(C(=O)N2CCOCC2)cc1 ZINC000426700068 514018095 /nfs/dbraw/zinc/01/80/95/514018095.db2.gz PTDMVRYABZAKGX-UHFFFAOYSA-N 0 3 354.450 2.766 50 0 FFAAHN CN(C)C(=O)c1cc(NC(=O)N2CCC[C@@H](N(C)C)C2)ccc1Cl ZINC000426701761 514019056 /nfs/dbraw/zinc/01/90/56/514019056.db2.gz XTCQDBWFJBBGCL-CYBMUJFWSA-N 0 3 352.866 2.600 50 0 FFAAHN CN(C)C(=O)c1cc(NC(=O)N2CCC[C@H](N(C)C)C2)ccc1Cl ZINC000426701763 514019669 /nfs/dbraw/zinc/01/96/69/514019669.db2.gz XTCQDBWFJBBGCL-ZDUSSCGKSA-N 0 3 352.866 2.600 50 0 FFAAHN Cc1ccc([C@@H](CNC(=O)c2ccccc2N2CCOCC2)N(C)C)cc1 ZINC000509940131 515377247 /nfs/dbraw/zinc/37/72/47/515377247.db2.gz UJRJQKDDQOBQHJ-OAQYLSRUSA-N 0 3 367.493 2.864 50 0 FFAAHN C[C@@H](CNC(=O)N(Cc1ccc(O)cc1)Cc1cccnc1)N1CCCC1 ZINC000534642971 517979385 /nfs/dbraw/zinc/97/93/85/517979385.db2.gz AQQJEKDKDRMSSK-KRWDZBQOSA-N 0 3 368.481 2.983 50 0 FFAAHN CO[C@]12CCN(Cc3ccc(C)o3)[C@H]1C[C@H](NC(=O)c1cnoc1C)CC2 ZINC000534657457 517986805 /nfs/dbraw/zinc/98/68/05/517986805.db2.gz MKMBYFDFAUTFIQ-MOXGXCLJSA-N 0 3 373.453 2.826 50 0 FFAAHN CCOc1cc(CNC(=O)N2CC(N3CCCC[C@@H]3C)C2)ccc1OC ZINC000534660385 517988041 /nfs/dbraw/zinc/98/80/41/517988041.db2.gz LXPWONPXQRURRR-HNNXBMFYSA-N 0 3 361.486 2.862 50 0 FFAAHN CCn1ncc(CN2CCC3(CC2)C[C@H](Cc2nc(C)no2)CCO3)c1C ZINC000575544250 518229657 /nfs/dbraw/zinc/22/96/57/518229657.db2.gz GOAXZMVNCINMPS-KRWDZBQOSA-N 0 3 373.501 2.907 50 0 FFAAHN Cc1csc(CCCNC(=O)N2CCC(N3CCSCC3)CC2)n1 ZINC000584886856 518523999 /nfs/dbraw/zinc/52/39/99/518523999.db2.gz GUWHWYWLHMZBMF-UHFFFAOYSA-N 0 3 368.572 2.607 50 0 FFAAHN Cc1ccc(C(=O)N2CC(N(Cc3ccccc3)C3CCOCC3)C2)cn1 ZINC000575315191 519583480 /nfs/dbraw/zinc/58/34/80/519583480.db2.gz OAZVFCPOKSEIJB-UHFFFAOYSA-N 0 3 365.477 2.896 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)c1nc(-c2ccc(OC(C)C)cc2)no1 ZINC000020726041 521656974 /nfs/dbraw/zinc/65/69/74/521656974.db2.gz JROLYBASMAJUTQ-HNNXBMFYSA-N 0 3 358.442 2.738 50 0 FFAAHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000253370054 524576646 /nfs/dbraw/zinc/57/66/46/524576646.db2.gz LKZWBSWLAGAUKG-RKVPGOIHSA-N 0 3 354.491 2.993 50 0 FFAAHN COc1ccc2c(c1)OC[C@@H](CNC(=O)C1(N3CCCC3)CCCC1)C2 ZINC000091594407 525561315 /nfs/dbraw/zinc/56/13/15/525561315.db2.gz YHUJQOQBQROABO-MRXNPFEDSA-N 0 3 358.482 2.771 50 0 FFAAHN Cc1noc2ncnc(NCCCN3CCN(c4ccccc4)CC3)c12 ZINC000020575197 526688404 /nfs/dbraw/zinc/68/84/04/526688404.db2.gz HRESBJIGQQNDSN-UHFFFAOYSA-N 0 3 352.442 2.550 50 0 FFAAHN O=C(CN1CCN2CCC[C@H]2C1)Nc1ccc(Br)cc1Cl ZINC000239432976 526785098 /nfs/dbraw/zinc/78/50/98/526785098.db2.gz XAOXJXJVFDBOOJ-LBPRGKRZSA-N 0 3 372.694 2.821 50 0 FFAAHN Cc1nc2sccn2c1CN1CCN(CCC(C)C)[C@@H](CCO)C1 ZINC000020322076 527210249 /nfs/dbraw/zinc/21/02/49/527210249.db2.gz YNQAMPOVBLSWRL-INIZCTEOSA-N 0 3 350.532 2.619 50 0 FFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000095529886 535936798 /nfs/dbraw/zinc/93/67/98/535936798.db2.gz UOZWFQCDGOCBTH-INIZCTEOSA-N 0 3 350.470 2.772 50 0 FFAAHN CN(C)CCN(Cc1nn(C)c2cccc(Cl)c12)C[C@H]1CCCO1 ZINC000215611096 568079733 /nfs/dbraw/zinc/07/97/33/568079733.db2.gz MALZCVSSFWTJBL-CQSZACIVSA-N 0 3 350.894 2.769 50 0 FFAAHN CCOC(=O)N1CCN(C(=O)Nc2ccccc2CN(CC)CC)CC1 ZINC000047568461 570892432 /nfs/dbraw/zinc/89/24/32/570892432.db2.gz KOXBKBMDKCHYNU-UHFFFAOYSA-N 0 3 362.474 2.834 50 0 FFAAHN O=C(c1cc2c(s1)CCNC2)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000888101535 734011871 /nfs/dbraw/zinc/01/18/71/734011871.db2.gz HFXXYBHQHIZHII-HNNXBMFYSA-N 0 3 352.463 2.831 50 0 FFAAHN Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)CN2CCCCCC2)n1 ZINC000952966859 740471465 /nfs/dbraw/zinc/47/14/65/740471465.db2.gz HBCHMCDVZUBCGS-CYBMUJFWSA-N 0 3 360.424 2.839 50 0 FFAAHN COCc1noc(C[C@@H]2CCOC3(CCN(Cc4ccncc4)CC3)C2)n1 ZINC000581804370 999947649 /nfs/dbraw/zinc/94/76/49/999947649.db2.gz NBKUPIHFFJJICB-KRWDZBQOSA-N 0 3 372.469 2.615 50 0 FFAAHN CN1CCN(Cc2ccc(CC3CCN(C(=O)C4CC4)CC3)cc2)CC1 ZINC000581810394 999948675 /nfs/dbraw/zinc/94/86/75/999948675.db2.gz QNKODXQCUQBDNC-UHFFFAOYSA-N 0 3 355.526 2.625 50 0 FFAAHN O=C(c1ccco1)N1CCC[C@H](NCc2cnc(-c3ccccn3)nc2)C1 ZINC000952979548 1011025891 /nfs/dbraw/zinc/02/58/91/1011025891.db2.gz UHRHJFFVHUMXQD-INIZCTEOSA-N 0 3 363.421 2.526 50 0 FFAAHN CC(C)c1nc(CCN(C)C(=O)[C@@H]2CCCN(Cc3ccco3)C2)no1 ZINC000055042386 1018245167 /nfs/dbraw/zinc/24/51/67/1018245167.db2.gz HRKDMWBWCHOOFM-OAHLLOKOSA-N 0 3 360.458 2.699 50 0 FFAAHN CC(C)c1ccc(C(=O)N(Cc2ccncc2)C2CCN(C)CC2)c(=O)[nH]1 ZINC000072447522 1019898572 /nfs/dbraw/zinc/89/85/72/1019898572.db2.gz GFRCQDGDYRIVLZ-UHFFFAOYSA-N 0 3 368.481 2.630 50 0 FFAAHN CN(C)c1ccc(CN2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)cn1 ZINC001529196236 1062217217 /nfs/dbraw/zinc/21/72/17/1062217217.db2.gz WSSUIASHYVPDQX-WIYYLYMNSA-N 0 3 362.477 2.731 50 0 FFAAHN Cc1cc2n(n1)C[C@H](CNCc1c(C)nn(-c3ccccc3)c1C)CN2 ZINC000071888672 210213616 /nfs/dbraw/zinc/21/36/16/210213616.db2.gz SSAQSHPBFIDXAQ-QGZVFWFLSA-N 0 3 350.470 2.826 50 0 FFAAHN Cc1ccc(F)c(C(=O)N2CCN([C@H]3CN4CCC3CC4)CC2)c1Cl ZINC000299768107 210017622 /nfs/dbraw/zinc/01/76/22/210017622.db2.gz IWLLWZHEBFZOHA-INIZCTEOSA-N 0 3 365.880 2.640 50 0 FFAAHN Cc1cc(-c2cccc(C(=O)N3CC[C@@](O)(CN(C)C)C3)c2)ccc1F ZINC000299769714 210017745 /nfs/dbraw/zinc/01/77/45/210017745.db2.gz TZFHXAXKLAYIST-OAQYLSRUSA-N 0 3 356.441 2.940 50 0 FFAAHN O=C([C@H](NCCc1c[nH]c2ccccc12)c1ccccc1)N1CCOCC1 ZINC000023817840 211397051 /nfs/dbraw/zinc/39/70/51/211397051.db2.gz FBGQMJDUMNVIHB-OAQYLSRUSA-N 0 3 363.461 2.900 50 0 FFAAHN Cc1csc(=O)n1CCCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000023739909 211395254 /nfs/dbraw/zinc/39/52/54/211395254.db2.gz IDBDAPGYVLPVEF-GOSISDBHSA-N 0 3 373.522 2.952 50 0 FFAAHN CCOC(=O)c1n[nH]cc1CN1CCC[C@@H](N(C)Cc2ccccc2)C1 ZINC000022851333 211365249 /nfs/dbraw/zinc/36/52/49/211365249.db2.gz MVZAVMFCEGZCJE-GOSISDBHSA-N 0 3 356.470 2.683 50 0 FFAAHN COC(=O)c1ccc(OC[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1 ZINC000022405269 211350799 /nfs/dbraw/zinc/35/07/99/211350799.db2.gz CJOVVVGWWPLTDV-KRWDZBQOSA-N 0 3 357.406 2.756 50 0 biogenic FFAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2cnccn2)C1 ZINC000014979373 211110425 /nfs/dbraw/zinc/11/04/25/211110425.db2.gz QTWJARCSZPOVGZ-KRWDZBQOSA-N 0 3 368.481 2.512 50 0 FFAAHN CC(C)N1C(=O)N(C)C2(CCN(Cc3c[nH]c4ccccc34)CC2)C1=O ZINC000014752220 211100903 /nfs/dbraw/zinc/10/09/03/211100903.db2.gz RWEYEGIJRILITO-UHFFFAOYSA-N 0 3 354.454 2.805 50 0 FFAAHN O=c1nc(CSC2=NCCN2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000014201579 211085463 /nfs/dbraw/zinc/08/54/63/211085463.db2.gz PFWSZXHWFAGWKW-UHFFFAOYSA-N 0 3 360.439 2.983 50 0 FFAAHN Cn1nnnc1SCCNCc1cccc(OCc2ccccc2)c1 ZINC000013945471 211065106 /nfs/dbraw/zinc/06/51/06/211065106.db2.gz JCTPIUXMXVXOGM-UHFFFAOYSA-N 0 3 355.467 2.671 50 0 FFAAHN Cc1nc(-c2ccccc2)nc2sc3c(ncn(CCN(C)C)c3=O)c21 ZINC000013682122 211049086 /nfs/dbraw/zinc/04/90/86/211049086.db2.gz KMZBKOHLCVZQOG-UHFFFAOYSA-N 0 3 365.462 2.938 50 0 FFAAHN COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000012983154 211014876 /nfs/dbraw/zinc/01/48/76/211014876.db2.gz COGFTKDIDZRASD-UHFFFAOYSA-N 0 3 358.438 2.704 50 0 FFAAHN CCOC(=O)C1CCN(C[C@H](O)COC23CC4CC(CC(C4)C2)C3)CC1 ZINC000010434674 210371764 /nfs/dbraw/zinc/37/17/64/210371764.db2.gz IAYGHVQQSYPFRF-ILCGBQQYSA-N 0 3 365.514 2.608 50 0 FFAAHN COc1ccc(CN2CCC(C(N)=O)CC2)cc1OCc1ccccc1 ZINC000000819564 210275401 /nfs/dbraw/zinc/27/54/01/210275401.db2.gz SDYORKMHJSROLV-UHFFFAOYSA-N 0 3 354.450 2.972 50 0 FFAAHN CCOc1ccccc1C(=O)N1CCCC[C@@H]1CCN1CCN(C)CC1 ZINC000065288759 221195785 /nfs/dbraw/zinc/19/57/85/221195785.db2.gz YCZJUEVIJFFQLZ-GOSISDBHSA-N 0 3 359.514 2.718 50 0 FFAAHN COc1ccccc1NC(=O)NCCNc1cc(N2CCCC2)nc(C)n1 ZINC000065362051 221202783 /nfs/dbraw/zinc/20/27/83/221202783.db2.gz ZBEIZRVJVNLCRW-UHFFFAOYSA-N 0 3 370.457 2.627 50 0 FFAAHN Cc1ccc(Cc2nc(-c3ccc4c(c3)nnn4CCN(C)C)no2)cc1 ZINC000065254983 221188877 /nfs/dbraw/zinc/18/88/77/221188877.db2.gz MJVRBNOPHOGVRV-UHFFFAOYSA-N 0 3 362.437 2.942 50 0 FFAAHN COc1cccc(-c2nc(-c3ccc4c(c3)nnn4CCN(C)C)no2)c1 ZINC000065254976 221189126 /nfs/dbraw/zinc/18/91/26/221189126.db2.gz DENNZACRGPMANN-UHFFFAOYSA-N 0 3 364.409 2.719 50 0 FFAAHN Nc1nc2c(s1)CN(C(=O)c1ccc(CN3CCCCC3)cc1)CC2 ZINC000065500692 221227397 /nfs/dbraw/zinc/22/73/97/221227397.db2.gz KPEKCDWONXQVDO-UHFFFAOYSA-N 0 3 356.495 2.910 50 0 FFAAHN CCn1c(=O)n(C)nc1[C@@H]1CCCN(Cc2ccc(OC)c(C)c2C)C1 ZINC000067643412 221265569 /nfs/dbraw/zinc/26/55/69/221265569.db2.gz QTBHDRLSBYYUML-QGZVFWFLSA-N 0 3 358.486 2.607 50 0 FFAAHN CC(C)(CN1CCCCC1)NC(=O)c1cc(COc2ccccc2)n[nH]1 ZINC000067514770 221258426 /nfs/dbraw/zinc/25/84/26/221258426.db2.gz KQGHLTILDYRUTE-UHFFFAOYSA-N 0 3 356.470 2.983 50 0 FFAAHN Cc1nc(NCCNC(=O)c2ccccc2Cl)cc(N2CCCC2)n1 ZINC000067612842 221262919 /nfs/dbraw/zinc/26/29/19/221262919.db2.gz QYVLQZDOFTXWNB-UHFFFAOYSA-N 0 3 359.861 2.881 50 0 FFAAHN CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(N(C)CCN(C)C)nc2)C1 ZINC000067724708 221276051 /nfs/dbraw/zinc/27/60/51/221276051.db2.gz CAMHPSDNYCMNCR-SFHVURJKSA-N 0 3 374.529 2.547 50 0 FFAAHN O=C1N(CCC2CCCCC2)CCC[C@@]1(O)CNCc1ccc(CO)cc1 ZINC000067726289 221277752 /nfs/dbraw/zinc/27/77/52/221277752.db2.gz PAMWDDHHIMIGLD-JOCHJYFZSA-N 0 3 374.525 2.592 50 0 FFAAHN CCN(Cc1cccc(C(=O)Nc2cc(C)nn2C)c1)C[C@@H]1CCCO1 ZINC000067743676 221280727 /nfs/dbraw/zinc/28/07/27/221280727.db2.gz QITXFANAWATTEX-SFHVURJKSA-N 0 3 356.470 2.982 50 0 FFAAHN CC[C@H]1CN(C(=O)c2coc(COc3cccc4cccnc43)n2)CCN1 ZINC000071755016 221365219 /nfs/dbraw/zinc/36/52/19/221365219.db2.gz GBSSMWQPDWOUEV-HNNXBMFYSA-N 0 3 366.421 2.626 50 0 FFAAHN COCC[C@@H]1CCCCN1C(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000095386957 132210130 /nfs/dbraw/zinc/21/01/30/132210130.db2.gz HWTNBAGBXKEAHI-FQEVSTJZSA-N 0 3 373.541 2.925 50 0 FFAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1Cl ZINC000096098676 132219062 /nfs/dbraw/zinc/21/90/62/132219062.db2.gz LFSOMIUKRMBMKR-UHFFFAOYSA-N 0 3 374.876 2.859 50 0 FFAAHN O=C(C1CCCC1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058208526 136131113 /nfs/dbraw/zinc/13/11/13/136131113.db2.gz PKLWYWPVPABHDG-GOSISDBHSA-N 0 3 356.514 2.632 50 0 FFAAHN CCN1CCN(c2ccc(C(=O)N(C)CCOc3ccccc3)cc2)CC1 ZINC000072284183 136144155 /nfs/dbraw/zinc/14/41/55/136144155.db2.gz ZITOKZLMFKOONF-UHFFFAOYSA-N 0 3 367.493 2.980 50 0 FFAAHN OCC[C@@H]1CN(c2nccc(C(F)(F)F)n2)CCN1CC1CCCCC1 ZINC000072433616 136147146 /nfs/dbraw/zinc/14/71/46/136147146.db2.gz YFBIMPWYBCLZIJ-OAHLLOKOSA-N 0 3 372.435 2.949 50 0 FFAAHN CCn1c(Cn2ccnc2)nnc1C1CCN(Cc2ccccc2)CC1 ZINC000096139748 222043933 /nfs/dbraw/zinc/04/39/33/222043933.db2.gz CKRTVELDMLDEKE-UHFFFAOYSA-N 0 3 350.470 2.922 50 0 FFAAHN CC[C@@H](C(=O)N1CCc2[nH]c(-c3ccc(OC)cc3)nc2C1)N1CCCC1 ZINC000096150298 222051955 /nfs/dbraw/zinc/05/19/55/222051955.db2.gz YHOIAMXRTCLZQJ-IBGZPJMESA-N 0 3 368.481 2.844 50 0 FFAAHN CC[C@@H](C(=O)N1CCc2nc(-c3ccc(OC)cc3)[nH]c2C1)N1CCCC1 ZINC000096150298 222051959 /nfs/dbraw/zinc/05/19/59/222051959.db2.gz YHOIAMXRTCLZQJ-IBGZPJMESA-N 0 3 368.481 2.844 50 0 FFAAHN CC(C)Nc1ncc(C(=O)NCCN2CCC(c3ccccc3)CC2)cn1 ZINC000096152408 222053398 /nfs/dbraw/zinc/05/33/98/222053398.db2.gz JCUHRWXNXYEFTK-UHFFFAOYSA-N 0 3 367.497 2.906 50 0 FFAAHN Cc1nc([C@H](O)c2ccc(C(F)(F)F)cc2)n(C2CCN(C)CC2)n1 ZINC000096152646 222054659 /nfs/dbraw/zinc/05/46/59/222054659.db2.gz MDVQLEYWYSSSAN-OAHLLOKOSA-N 0 3 354.376 2.954 50 0 FFAAHN COCCN1CCC[C@H](C(=O)NCc2nc(-c3ccccc3)cs2)C1 ZINC000097578841 222193953 /nfs/dbraw/zinc/19/39/53/222193953.db2.gz CMCWFSBNPTVZFH-INIZCTEOSA-N 0 3 359.495 2.785 50 0 FFAAHN O=C(NCCN1CC[C@@H](c2ccccc2)C1)c1ccc(Cn2cccn2)o1 ZINC000097694964 222205774 /nfs/dbraw/zinc/20/57/74/222205774.db2.gz GATWZRVLOJNBPT-GOSISDBHSA-N 0 3 364.449 2.744 50 0 FFAAHN CN1CCN(C)[C@H](CC(=O)NCCc2cccc(Oc3ccccc3)c2)C1 ZINC000097819663 222214367 /nfs/dbraw/zinc/21/43/67/222214367.db2.gz ZOSRMUCMBSHVQX-LJQANCHMSA-N 0 3 367.493 2.774 50 0 FFAAHN CC(C)CCN1CCN(Cc2cnc(N3CCCC3)s2)C[C@H]1CCO ZINC000104532062 222358815 /nfs/dbraw/zinc/35/88/15/222358815.db2.gz GGAKYEOOYONSOH-QGZVFWFLSA-N 0 3 366.575 2.658 50 0 FFAAHN Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000106136283 222383535 /nfs/dbraw/zinc/38/35/35/222383535.db2.gz GWJLTGJUKYBYOS-OLZOCXBDSA-N 0 3 359.499 2.759 50 0 FFAAHN O=C(NC1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1)C1CC1 ZINC000040120380 506470210 /nfs/dbraw/zinc/47/02/10/506470210.db2.gz OKOXIDQGMVJLAI-INIZCTEOSA-N 0 3 356.388 2.729 50 0 FFAAHN O=C(NC1CCCC1)c1cccnc1N1CCN[C@H](c2ccccc2)C1 ZINC000065255760 506275631 /nfs/dbraw/zinc/27/56/31/506275631.db2.gz QJFBLVZSUKISGN-IBGZPJMESA-N 0 3 350.466 2.905 50 0 FFAAHN CN(C)[C@@H](CNC(=O)CCCNC(=O)c1cccs1)c1ccccc1 ZINC000032716611 506282792 /nfs/dbraw/zinc/28/27/92/506282792.db2.gz 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/nfs/dbraw/zinc/40/46/14/506404614.db2.gz RZJGEDTVUMERPN-NRFANRHFSA-N 0 3 367.493 2.804 50 0 FFAAHN Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(-c4ccccc4[O-])nc3c12 ZINC000006720012 506500198 /nfs/dbraw/zinc/50/01/98/506500198.db2.gz RCGYCJRNIXKXRZ-UHFFFAOYSA-N 0 3 350.426 2.630 50 0 FFAAHN CC[C@H](C)N(CCNC(=O)Cn1c(=O)oc2ccccc21)Cc1ccco1 ZINC000009688497 506708854 /nfs/dbraw/zinc/70/88/54/506708854.db2.gz GNODFGBZDLTQOW-HNNXBMFYSA-N 0 3 371.437 2.604 50 0 FFAAHN CCNC(=O)N1CCC(NCc2cnc(-c3cccc(C)c3)nc2)CC1 ZINC000055271432 506715168 /nfs/dbraw/zinc/71/51/68/506715168.db2.gz RMNDCFRRWVNOND-UHFFFAOYSA-N 0 3 353.470 2.736 50 0 FFAAHN CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000011566383 506781865 /nfs/dbraw/zinc/78/18/65/506781865.db2.gz CUXRNHVITUJGQR-RTBURBONSA-N 0 3 357.450 2.855 50 0 FFAAHN COCCNC(=O)NCC1CCN(Cc2ccccc2SC)CC1 ZINC000043991614 506805415 /nfs/dbraw/zinc/80/54/15/506805415.db2.gz OJWARXVXNJMRLQ-UHFFFAOYSA-N 0 3 351.516 2.566 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2ccoc2)CC1 ZINC000012702903 506889192 /nfs/dbraw/zinc/88/91/92/506889192.db2.gz NSBDZRWPQOYDKV-GOSISDBHSA-N 0 3 361.486 2.513 50 0 FFAAHN O=C1N(CC2CC2)CCC[C@@]1(O)CNCc1ccccc1C(F)(F)F ZINC000012750475 506896258 /nfs/dbraw/zinc/89/62/58/506896258.db2.gz NALULMMRAMKJBV-QGZVFWFLSA-N 0 3 356.388 2.559 50 0 FFAAHN C/C(=C\c1ccco1)CN1CC[C@]2(C1)CCCN(C(=O)N1CCOCC1)C2 ZINC000067540963 506917295 /nfs/dbraw/zinc/91/72/95/506917295.db2.gz UKIBZNDWRWCOIL-TVADFSRQSA-N 0 3 373.497 2.923 50 0 FFAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccccc3)CC2)n1 ZINC000021795044 507269268 /nfs/dbraw/zinc/26/92/68/507269268.db2.gz BNMHMLWVLMZQRA-UHFFFAOYSA-N 0 3 366.469 2.739 50 0 FFAAHN Cc1nn(C)c(C)c1/C=C/C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000058217005 507388164 /nfs/dbraw/zinc/38/81/64/507388164.db2.gz JZIUPMCLNPTYTJ-ZHACJKMWSA-N 0 3 358.461 2.780 50 0 FFAAHN O=C(Nc1cccc(CN2CCCCC2)c1)c1ccc(-n2cnnn2)cc1 ZINC000027140407 507634366 /nfs/dbraw/zinc/63/43/66/507634366.db2.gz 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ZINC000072167528 507767954 /nfs/dbraw/zinc/76/79/54/507767954.db2.gz FJMIPBBOXIWTPK-HXUWFJFHSA-N 0 3 366.465 2.792 50 0 FFAAHN CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000072174485 507770148 /nfs/dbraw/zinc/77/01/48/507770148.db2.gz RIHYROJLWRJQRT-KRWDZBQOSA-N 0 3 353.470 2.809 50 0 FFAAHN O[C@@H]1CCCN(CCCNc2cc(-c3ccccc3)nc3ccnn32)C1 ZINC000072421861 507787942 /nfs/dbraw/zinc/78/79/42/507787942.db2.gz UEDVDQSUSGJQBB-QGZVFWFLSA-N 0 3 351.454 2.655 50 0 FFAAHN Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000072426691 507788314 /nfs/dbraw/zinc/78/83/14/507788314.db2.gz XGTIRJVBZMRAAC-GOSISDBHSA-N 0 3 354.502 2.576 50 0 FFAAHN COc1ccc([C@H](C)n2ccnc2-c2cc3n(n2)CCCNC3)cc1F ZINC000072438603 507792161 /nfs/dbraw/zinc/79/21/61/507792161.db2.gz HBKWWPFSKXIYAI-ZDUSSCGKSA-N 0 3 355.417 2.997 50 0 FFAAHN COc1ccc(CN2CCC[C@H](c3nnc(CN(C)C)n3C)C2)cc1C ZINC000072447295 507792621 /nfs/dbraw/zinc/79/26/21/507792621.db2.gz NOWFVPDIPGFWFK-KRWDZBQOSA-N 0 3 357.502 2.573 50 0 FFAAHN CCCNC(=O)CN1CCC(NCc2ccccc2Br)CC1 ZINC000030911881 507814776 /nfs/dbraw/zinc/81/47/76/507814776.db2.gz VQTUILKGMUAULQ-UHFFFAOYSA-N 0 3 368.319 2.529 50 0 FFAAHN Cc1nc2ccc(Cl)cn2c1C(=O)N1C[C@H](N)[C@@H](c2ccccc2)C1 ZINC000091410337 507983522 /nfs/dbraw/zinc/98/35/22/507983522.db2.gz JUJVBXVCAXXKIM-CVEARBPZSA-N 0 3 354.841 2.863 50 0 FFAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1oc(C)nc1C)CC2 ZINC000091563469 507993215 /nfs/dbraw/zinc/99/32/15/507993215.db2.gz DBCHTKUYUTYEPC-UHFFFAOYSA-N 0 3 371.485 2.804 50 0 FFAAHN Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)cn1 ZINC000091563191 507993351 /nfs/dbraw/zinc/99/33/51/507993351.db2.gz GDRBXTDOPFGHNJ-AZUAARDMSA-N 0 3 352.482 2.589 50 0 FFAAHN CCCN1C(=O)[C@H]2CC[C@@H]1CN(C1CCN(C(=O)c3ccccc3)CC1)C2 ZINC000091819853 508015496 /nfs/dbraw/zinc/01/54/96/508015496.db2.gz QTRVONHQKABXOD-AZUAARDMSA-N 0 3 369.509 2.624 50 0 FFAAHN Cn1c(CN2CCCCCC2)nnc1C1CCN(Cc2cccnc2)CC1 ZINC000091830985 508016854 /nfs/dbraw/zinc/01/68/54/508016854.db2.gz NOHRDHFTWJMSRO-UHFFFAOYSA-N 0 3 368.529 2.966 50 0 FFAAHN COC(=O)CCCN1CCC2(CC(=O)N(C/C=C/c3ccccc3)C2)CC1 ZINC000091964894 508028025 /nfs/dbraw/zinc/02/80/25/508028025.db2.gz BJOAFAQYPPEARJ-WEVVVXLNSA-N 0 3 370.493 2.968 50 0 FFAAHN CCc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)no1 ZINC000092021697 508034687 /nfs/dbraw/zinc/03/46/87/508034687.db2.gz KMBNPEAZDSQWFG-UHFFFAOYSA-N 0 3 371.485 2.606 50 0 FFAAHN c1cc2c(cc1CN1C[C@H]3CC[C@@H]1CN(C1CCOCC1)C3)OCCO2 ZINC000095362184 508175777 /nfs/dbraw/zinc/17/57/77/508175777.db2.gz PBWUREQOZFFPBI-IEBWSBKVSA-N 0 3 358.482 2.533 50 0 FFAAHN C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000095385904 508182164 /nfs/dbraw/zinc/18/21/64/508182164.db2.gz HVBLDLBXYXMSHC-QGZVFWFLSA-N 0 3 356.470 2.560 50 0 FFAAHN CN(C)CCOCCNC(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000095467263 508187570 /nfs/dbraw/zinc/18/75/70/508187570.db2.gz SNKMRHNTBSABNN-UHFFFAOYSA-N 0 3 352.435 2.649 50 0 FFAAHN O=C(NCCN1CCc2ccccc2C1)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000095498493 508189890 /nfs/dbraw/zinc/18/98/90/508189890.db2.gz ITXMSCXQRCIRBS-HXUWFJFHSA-N 0 3 367.493 2.666 50 0 FFAAHN CC(=O)N[C@@H]1CN(Cc2ccc3c(c2)OCO3)C[C@H]1c1ccc(C)cc1 ZINC000095496944 508189973 /nfs/dbraw/zinc/18/99/73/508189973.db2.gz ZPQPYTHCTKAULO-RBUKOAKNSA-N 0 3 352.434 2.828 50 0 FFAAHN Cc1nc(CN(C)CC2CCN(CCc3ccccc3F)CC2)n(C)n1 ZINC000095499405 508190254 /nfs/dbraw/zinc/19/02/54/508190254.db2.gz UOQLEFIZRGORJI-UHFFFAOYSA-N 0 3 359.493 2.649 50 0 FFAAHN Cc1nc(CC2CCN(C(=O)[C@@H]3CCCN(Cc4ccco4)C3)CC2)no1 ZINC000095500820 508190627 /nfs/dbraw/zinc/19/06/27/508190627.db2.gz IUHVKDKFYXSMTC-QGZVFWFLSA-N 0 3 372.469 2.664 50 0 FFAAHN CSCc1nc(CC2CCN(C)CC2)nn1-c1ccc2c(c1)OCO2 ZINC000095500247 508190670 /nfs/dbraw/zinc/19/06/70/508190670.db2.gz RJMPSUYPVMQOSO-UHFFFAOYSA-N 0 3 360.483 2.743 50 0 FFAAHN COc1ccc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)c(C)c1 ZINC000082109465 508226378 /nfs/dbraw/zinc/22/63/78/508226378.db2.gz WPPWJKSBHKNQLI-NRFANRHFSA-N 0 3 360.498 2.591 50 0 FFAAHN Cn1ccc2ccc(CN3CCC[C@@]4(CCC(=O)N(CCCO)C4)C3)cc21 ZINC000082135179 508227022 /nfs/dbraw/zinc/22/70/22/508227022.db2.gz RFDSLEQYDOYPBU-JOCHJYFZSA-N 0 3 369.509 2.765 50 0 FFAAHN CC(C)CCN1CC2(CCN(C(=O)[C@H]3CCCCCN3C)CC2)OC1=O ZINC000077407762 508312487 /nfs/dbraw/zinc/31/24/87/508312487.db2.gz YXGPNZLKSSKEQM-QGZVFWFLSA-N 0 3 365.518 2.720 50 0 FFAAHN COCCN1C[C@]2(CCCN(Cc3ccc(C)cc3OC)C2)CCC1=O ZINC000077437230 508315458 /nfs/dbraw/zinc/31/54/58/508315458.db2.gz BEBFSTRZNKQYAH-OAQYLSRUSA-N 0 3 360.498 2.855 50 0 FFAAHN CNc1ncc(C(=O)N2CCCC[C@@H]2c2ccc(CN(C)C)cc2)cn1 ZINC000077523844 508327581 /nfs/dbraw/zinc/32/75/81/508327581.db2.gz IFNHKNUYCKCZAT-GOSISDBHSA-N 0 3 353.470 2.947 50 0 FFAAHN CN1CCN(CC2CCN(C(=O)Nc3cccc(Cl)c3F)CC2)CC1 ZINC000140747161 508808293 /nfs/dbraw/zinc/80/82/93/508808293.db2.gz JPUAAXKWGXMDFZ-UHFFFAOYSA-N 0 3 368.884 2.970 50 0 FFAAHN CN(C)CCn1ccc(NC(=O)N2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC000151375275 509007479 /nfs/dbraw/zinc/00/74/79/509007479.db2.gz 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ZINC000244794806 509870984 /nfs/dbraw/zinc/87/09/84/509870984.db2.gz QTWYYSBQNBXJHP-GOSISDBHSA-N 0 3 365.861 2.894 50 0 FFAAHN COCCCN1CCC(NC(=O)c2ccnc(-c3ccccc3)c2N)CC1 ZINC000253417829 509880786 /nfs/dbraw/zinc/88/07/86/509880786.db2.gz HHDMVKLVMJURTK-UHFFFAOYSA-N 0 3 368.481 2.562 50 0 FFAAHN OCCN1CCC([C@@H]2c3nccn3CCCN2Cc2ccccc2)CC1 ZINC000257188223 509950780 /nfs/dbraw/zinc/95/07/80/509950780.db2.gz DRIVANZXXBTJNM-HXUWFJFHSA-N 0 3 354.498 2.534 50 0 FFAAHN C[C@H]1CN([C@H](CNCc2cnn(C)c2)c2c(F)cccc2Cl)CCO1 ZINC000261949366 510125765 /nfs/dbraw/zinc/12/57/65/510125765.db2.gz GWIWVPZTIYKNHT-SUMWQHHRSA-N 0 3 366.868 2.764 50 0 FFAAHN Cc1ccccc1OC[C@H](O)CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000172555829 510788461 /nfs/dbraw/zinc/78/84/61/510788461.db2.gz GVQNYYVFIZNUCL-ZWKOTPCHSA-N 0 3 366.465 2.657 50 0 FFAAHN Cc1cc2c(cc1C)[C@H](C(=O)N1C[C@@H](c3ccccc3F)[C@H](N)C1)CO2 ZINC000333339533 511209794 /nfs/dbraw/zinc/20/97/94/511209794.db2.gz XTEXPXFZFLDDMK-YQVWRLOYSA-N 0 3 354.425 2.872 50 0 FFAAHN CO[C@]12CCN(Cc3cccs3)[C@H]1C[C@H](NC(=O)c1[nH]cnc1C)CC2 ZINC000534656005 517987503 /nfs/dbraw/zinc/98/75/03/517987503.db2.gz SCPLRXWHNLQRPM-SIXWZSSISA-N 0 3 374.510 2.722 50 0 FFAAHN O=C(NC1(CN2CCCCC2)CC1)N1CCC(CCn2cccn2)CC1 ZINC000534658879 517989140 /nfs/dbraw/zinc/98/91/40/517989140.db2.gz MYCVTMKCYBZYDL-UHFFFAOYSA-N 0 3 359.518 2.713 50 0 FFAAHN CCN1CC[C@@H](NC(=O)N2CCC(COc3ccc(OC)cc3)CC2)C1 ZINC000584889640 518525142 /nfs/dbraw/zinc/52/51/42/518525142.db2.gz FGFFCOVLMVCIHH-QGZVFWFLSA-N 0 3 361.486 2.590 50 0 FFAAHN CCCN1CCCn2nc(CNC(=O)NCc3ccc(F)cc3)cc2C1 ZINC000082145740 519855000 /nfs/dbraw/zinc/85/50/00/519855000.db2.gz SSRRIMABWDEZHI-UHFFFAOYSA-N 0 3 359.449 2.637 50 0 FFAAHN CCCCOC(=O)Cn1c2ccccc2n(CCN2CCCCC2)c1=N ZINC000020157988 520715990 /nfs/dbraw/zinc/71/59/90/520715990.db2.gz MVWDJLWWISBQQP-UHFFFAOYSA-N 0 3 358.486 2.751 50 0 FFAAHN O=C(NCc1cnc(C(F)(F)F)nc1)NC[C@@H]1CCN1C1CCCCC1 ZINC000624331976 522614072 /nfs/dbraw/zinc/61/40/72/522614072.db2.gz OIGGMPIOPWRIDO-AWEZNQCLSA-N 0 3 371.407 2.702 50 0 FFAAHN CN(CCc1ccccc1)[C@H]1CCCN(C(=O)CSc2ncccn2)C1 ZINC000020913109 522957078 /nfs/dbraw/zinc/95/70/78/522957078.db2.gz AEHCREPFHQUBLJ-SFHVURJKSA-N 0 3 370.522 2.734 50 0 FFAAHN CN(CCc1ccccn1)[C@@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000020256587 522965390 /nfs/dbraw/zinc/96/53/90/522965390.db2.gz ISEVYGFHNCMYQR-HXUWFJFHSA-N 0 3 352.482 2.930 50 0 FFAAHN C[C@@H]1CCCN(CCNC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000249796554 524227983 /nfs/dbraw/zinc/22/79/83/524227983.db2.gz XBZZSIYNJFORQU-IAGOWNOFSA-N 0 3 362.493 2.683 50 0 FFAAHN COc1nc2c(cc1C(=O)NC[C@H]1CCCN(Cc3ccco3)C1)CCC2 ZINC000091255010 524990428 /nfs/dbraw/zinc/99/04/28/524990428.db2.gz YTEZLMSBCLGTAB-OAHLLOKOSA-N 0 3 369.465 2.814 50 0 FFAAHN CSc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cc1 ZINC000082120024 525989332 /nfs/dbraw/zinc/98/93/32/525989332.db2.gz VOORXDCXNVBUPI-HXUWFJFHSA-N 0 3 362.539 2.996 50 0 FFAAHN COc1cccc(OCCN2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)c1 ZINC000091411484 526232755 /nfs/dbraw/zinc/23/27/55/526232755.db2.gz XIOHUAFSJXMXDU-IEBWSBKVSA-N 0 3 360.498 2.649 50 0 FFAAHN CNS(=O)(=O)Cc1ccccc1CNCc1ccc(OC(F)F)cc1 ZINC000048040432 570642550 /nfs/dbraw/zinc/64/25/50/570642550.db2.gz WHVTVIQOSOIMLT-UHFFFAOYSA-N 0 3 370.421 2.627 50 0 FFAAHN CC(C)n1ncc2cc(CNCCCCN3CCOCC3)c(Cl)nc21 ZINC000048260479 570938533 /nfs/dbraw/zinc/93/85/33/570938533.db2.gz UARZTPCIONGENS-UHFFFAOYSA-N 0 3 365.909 2.868 50 0 FFAAHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)Cc1c(F)cccc1Cl ZINC000084199713 571079029 /nfs/dbraw/zinc/07/90/29/571079029.db2.gz NPCJDOWPHYQYCT-UHFFFAOYSA-N 0 3 372.868 2.754 50 0 FFAAHN C[C@H]1CCCCN1CCNC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1 ZINC000084692285 571096985 /nfs/dbraw/zinc/09/69/85/571096985.db2.gz HDTUAKCFVKJSMW-AAEUAGOBSA-N 0 3 355.891 2.885 50 0 FFAAHN Cc1nccc(-c2ccccc2)c1C(=O)NCCN1CCCC[C@@H]1CO ZINC000670455881 571354155 /nfs/dbraw/zinc/35/41/55/571354155.db2.gz WRDWXUWFSKTIOP-GOSISDBHSA-N 0 3 353.466 2.634 50 0 FFAAHN CN(C)C[C@@H](c1ccccc1)N(C)C(=O)c1ccccc1N1CCOCC1 ZINC000823680698 999069311 /nfs/dbraw/zinc/06/93/11/999069311.db2.gz WEEURCIZOBWBJR-NRFANRHFSA-N 0 3 367.493 2.898 50 0 FFAAHN Cn1cccc1C(=O)N1CC(N(Cc2ccccc2)C2CCOCC2)C1 ZINC000581794920 999946692 /nfs/dbraw/zinc/94/66/92/999946692.db2.gz YGKRLNVEDYSHBP-UHFFFAOYSA-N 0 3 353.466 2.531 50 0 FFAAHN O=C(Nc1ccccc1)c1nn(CCOc2ccccc2)c2c1CNCC2 ZINC000581814557 999950282 /nfs/dbraw/zinc/95/02/82/999950282.db2.gz AYPONDKGEVPOFU-UHFFFAOYSA-N 0 3 362.433 2.860 50 0 FFAAHN Cc1ccc(CNC(=O)N2CCN3CCC2CC3)c(OCC(F)(F)F)c1 ZINC000585081189 1008250481 /nfs/dbraw/zinc/25/04/81/1008250481.db2.gz FJMKCGOCYJRJSH-UHFFFAOYSA-N 0 3 371.403 2.926 50 0 FFAAHN CN(Cc1cccnc1)C[C@H]1CCCN(C(=O)c2cn(C)nc2C2CC2)C1 ZINC000585085240 1008303198 /nfs/dbraw/zinc/30/31/98/1008303198.db2.gz DJGRUKBBPXQWEJ-QGZVFWFLSA-N 0 3 367.497 2.677 50 0 FFAAHN Cc1ccccc1N1CCN([C@H]2CCCN(Cc3cnn(C)c3)C2)CC1 ZINC000020543088 1022586107 /nfs/dbraw/zinc/58/61/07/1022586107.db2.gz OUETVAQFVQOTHQ-FQEVSTJZSA-N 0 3 353.514 2.515 50 0 FFAAHN Fc1cc(Cl)cnc1N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC001506399931 1059492177 /nfs/dbraw/zinc/49/21/77/1059492177.db2.gz ROYHCOKDUXEDHY-RPLTXICNSA-N 0 3 372.875 2.854 50 0 FFAAHN CN(C)c1nc2c(c(N3CCCN(Cc4ccccn4)CC3)n1)CCCC2 ZINC001529099101 1062161572 /nfs/dbraw/zinc/16/15/72/1062161572.db2.gz QGZIMMQRYMAJMJ-UHFFFAOYSA-N 0 3 366.513 2.529 50 0 FFAAHN Cc1cc(C[C@@H]2CN(Cc3cnn(-c4cccc(Cl)c4)c3)C[C@H]2O)n[nH]1 ZINC001529189574 1062212010 /nfs/dbraw/zinc/21/20/10/1062212010.db2.gz SBNCCFXUJZUVBV-DNVCBOLYSA-N 0 3 371.872 2.593 50 0 FFAAHN Cc1cc(C[C@@H]2CN(Cc3cnn(-c4cccc(Cl)c4)c3)C[C@H]2O)[nH]n1 ZINC001529189574 1062212040 /nfs/dbraw/zinc/21/20/40/1062212040.db2.gz SBNCCFXUJZUVBV-DNVCBOLYSA-N 0 3 371.872 2.593 50 0 FFAAHN Cc1cc2n(n1)C[C@@H](CNCc1cc(Br)ccc1F)CN2 ZINC000065609785 210211572 /nfs/dbraw/zinc/21/15/72/210211572.db2.gz BJQDWRZUMMPWFH-NSHDSACASA-N 0 3 353.239 2.925 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000245257214 210210458 /nfs/dbraw/zinc/21/04/58/210210458.db2.gz XBVODWZAVJNKIW-BRWVUGGUSA-N 0 3 367.534 2.918 50 0 FFAAHN O=C(NCC(F)(F)F)c1ccc(NC(=O)C23CCCN2CCC3)cc1 ZINC000328586502 210108271 /nfs/dbraw/zinc/10/82/71/210108271.db2.gz OXZJMWYCFIIQEI-UHFFFAOYSA-N 0 3 355.360 2.546 50 0 FFAAHN O=C(NCCCN1CCC(O)CC1)[C@]1(c2ccccc2)CC12CCCC2 ZINC000299787875 210028157 /nfs/dbraw/zinc/02/81/57/210028157.db2.gz SNVWCEUINWHOCM-JOCHJYFZSA-N 0 3 356.510 2.852 50 0 FFAAHN O=C(Nc1ccc(-c2cc[nH]n2)cc1)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000299755955 210008812 /nfs/dbraw/zinc/00/88/12/210008812.db2.gz GPCYPOFGDJBRBF-SFHVURJKSA-N 0 3 369.469 2.842 50 0 FFAAHN O=C(N[C@H](CCn1cncn1)c1ccccc1)C1(N2CCCC2)CCCC1 ZINC000223955258 222802219 /nfs/dbraw/zinc/80/22/19/222802219.db2.gz ORGJOPXWJTVHJI-LJQANCHMSA-N 0 3 367.497 2.934 50 0 FFAAHN CC(=O)Nc1nc(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cs1 ZINC000058299574 212003492 /nfs/dbraw/zinc/00/34/92/212003492.db2.gz GHAOEIPDIONUMU-INIZCTEOSA-N 0 3 372.494 2.744 50 0 FFAAHN CCN1CCN(CCCCNC(=O)N(C)[C@@H](C)c2ccccc2F)CC1 ZINC000058268463 212001611 /nfs/dbraw/zinc/00/16/11/212001611.db2.gz ARRVWLOVDZHFEK-KRWDZBQOSA-N 0 3 364.509 2.946 50 0 FFAAHN COc1ccc(-c2n[nH]cc2CN2CCN(CC(C)C)[C@@H](CCO)C2)cc1 ZINC000023373404 211387777 /nfs/dbraw/zinc/38/77/77/211387777.db2.gz GMMLJRHRHJCJAU-IBGZPJMESA-N 0 3 372.513 2.610 50 0 FFAAHN COc1ccc([C@@H](CNC(=O)c2cc(=O)[nH]c3ccccc32)N(C)C)cc1 ZINC000022414474 211349800 /nfs/dbraw/zinc/34/98/00/211349800.db2.gz DODGXJXZLVNEBE-LJQANCHMSA-N 0 3 365.433 2.982 50 0 FFAAHN CC(C)CCN1CCN(Cc2cccn2-c2nccs2)C[C@@H]1CCO ZINC000020512481 211285749 /nfs/dbraw/zinc/28/57/49/211285749.db2.gz CJOITCLUZBMUBH-KRWDZBQOSA-N 0 3 362.543 2.849 50 0 FFAAHN CCOC(=O)C1=C(CN2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020283399 211272547 /nfs/dbraw/zinc/27/25/47/211272547.db2.gz DKTQTXSHRGRCCF-ZRGWGRIASA-N 0 3 371.481 2.836 50 0 FFAAHN Cc1nc(-c2ccccc2)[nH]c1CN1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000019782058 211255522 /nfs/dbraw/zinc/25/55/22/211255522.db2.gz ABBCXSPUWPFGHO-PMACEKPBSA-N 0 3 354.498 2.806 50 0 FFAAHN CC(C)=CCN1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@@H]1CCO ZINC000019300907 211213210 /nfs/dbraw/zinc/21/32/10/211213210.db2.gz DOWJSGSOMJYOCJ-FQEVSTJZSA-N 0 3 354.498 2.912 50 0 FFAAHN Cc1ccc(CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 ZINC000017317421 211184046 /nfs/dbraw/zinc/18/40/46/211184046.db2.gz CCUMVMKIATUKRX-UHFFFAOYSA-N 0 3 374.506 2.614 50 0 FFAAHN COc1ccc(OCCNCC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000016695403 211166340 /nfs/dbraw/zinc/16/63/40/211166340.db2.gz DWRSIHWPBAHWHW-HXUWFJFHSA-N 0 3 354.450 2.857 50 0 FFAAHN COC(=O)C1CCN(C(=O)C2CCN(Cc3cccc(C)c3)CC2)CC1 ZINC000016607247 211164999 /nfs/dbraw/zinc/16/49/99/211164999.db2.gz CWMQARHAEYWJBP-UHFFFAOYSA-N 0 3 358.482 2.619 50 0 FFAAHN Cc1ncc(CN2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)cn1 ZINC000015070590 211119749 /nfs/dbraw/zinc/11/97/49/211119749.db2.gz CPDCAEMVZKKQGQ-NRFANRHFSA-N 0 3 368.456 2.939 50 0 FFAAHN CSc1ccc(CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)cc1 ZINC000015067276 211116830 /nfs/dbraw/zinc/11/68/30/211116830.db2.gz WLGCUCGSXNSSDI-NHCUHLMSSA-N 0 3 371.550 2.913 50 0 FFAAHN CN(Cc1ccccc1)C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000014981626 211111171 /nfs/dbraw/zinc/11/11/71/211111171.db2.gz GKXMNDNVBNTFQN-OAQYLSRUSA-N 0 3 374.431 2.950 50 0 FFAAHN COCCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1ccccc1)CC2 ZINC000014539468 211094997 /nfs/dbraw/zinc/09/49/97/211094997.db2.gz FBENQMQQWSFHII-UHFFFAOYSA-N 0 3 373.497 2.588 50 0 FFAAHN Cn1nc(C(=O)NCCc2ccccc2)c2c1CC[C@@H](N1CCCCC1)C2 ZINC000014534574 211094285 /nfs/dbraw/zinc/09/42/85/211094285.db2.gz ONRWUTRULRJNKH-GOSISDBHSA-N 0 3 366.509 2.736 50 0 FFAAHN CN(Cc1ccsc1)[C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 ZINC000014731275 211098908 /nfs/dbraw/zinc/09/89/08/211098908.db2.gz CAYAQLZASVWSRO-OAHLLOKOSA-N 0 3 358.511 2.707 50 0 FFAAHN O=C1CC(N(O)c2ccccc2)C(=O)N1c1ccccc1Br ZINC000002263304 210386291 /nfs/dbraw/zinc/38/62/91/210386291.db2.gz BVADSFSELUVLSH-CQSZACIVSA-N 0 3 361.195 2.977 50 0 FFAAHN CC(C)C[C@@H](Nc1ncnc2sc3c(c21)CCNC3)c1ncnn1C ZINC000065375146 221206029 /nfs/dbraw/zinc/20/60/29/221206029.db2.gz DXQMOJAISCYJGV-GFCCVEGCSA-N 0 3 357.487 2.665 50 0 FFAAHN COc1ccccc1-n1nc(CC(C)C)nc1C1CCN(CCO)CC1 ZINC000065453013 221220253 /nfs/dbraw/zinc/22/02/53/221220253.db2.gz DCGDATUNPBTMQT-UHFFFAOYSA-N 0 3 358.486 2.646 50 0 FFAAHN Cc1ccc(N2CC(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1 ZINC000067340766 221252543 /nfs/dbraw/zinc/25/25/43/221252543.db2.gz KTHASJPLEHZRKM-IBGZPJMESA-N 0 3 370.474 2.911 50 0 FFAAHN O=C1N(CCC2CCCCC2)CCC[C@]1(O)CNCCc1ccccn1 ZINC000067472776 221255682 /nfs/dbraw/zinc/25/56/82/221255682.db2.gz KWYIAKHDPJPIGA-NRFANRHFSA-N 0 3 359.514 2.538 50 0 FFAAHN CCn1c(=O)n(C)nc1[C@@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC000067674277 221267746 /nfs/dbraw/zinc/26/77/46/221267746.db2.gz SQIKMHPFEAQKMC-QGZVFWFLSA-N 0 3 351.454 2.530 50 0 FFAAHN COc1ccc(-n2cccn2)c(CN2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000067818127 221290293 /nfs/dbraw/zinc/29/02/93/221290293.db2.gz IHGBFCLUJWMZNY-KRWDZBQOSA-N 0 3 368.481 2.715 50 0 FFAAHN O=C1N(CCCc2ccccc2)CCC[C@]1(O)CNCc1cccc(F)c1 ZINC000067895458 221302044 /nfs/dbraw/zinc/30/20/44/221302044.db2.gz JKGBSSQBWCVHEM-QFIPXVFZSA-N 0 3 370.468 2.902 50 0 FFAAHN COCCc1ncc(CN[C@H]2CCCN(Cc3ccccc3F)C2)cn1 ZINC000067920918 221305422 /nfs/dbraw/zinc/30/54/22/221305422.db2.gz CCUPWIHIVPXHCY-SFHVURJKSA-N 0 3 358.461 2.559 50 0 FFAAHN Cc1cnn(CCC(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000071589717 221352589 /nfs/dbraw/zinc/35/25/89/221352589.db2.gz XBRABWRBSNOEFL-CEMLEFRQSA-N 0 3 364.493 2.670 50 0 FFAAHN c1c2c(cc3nc(N4CCOCC4)c(CNC[C@@H]4CCCO4)cc13)CCC2 ZINC000299795309 132300355 /nfs/dbraw/zinc/30/03/55/132300355.db2.gz LEGMJLQHHDSRGM-FQEVSTJZSA-N 0 3 367.493 2.829 50 0 FFAAHN O=C(C[C@H]1C=CCC1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058201307 136130938 /nfs/dbraw/zinc/13/09/38/136130938.db2.gz PYVYXSBRPUXQEN-VQTJNVASSA-N 0 3 368.525 2.799 50 0 FFAAHN Cc1cccc(N2CCC3(CCCN3Cc3cnc(N(C)C)nc3)CC2)n1 ZINC000072458160 136148601 /nfs/dbraw/zinc/14/86/01/136148601.db2.gz LJNTUXGLVLMJHC-UHFFFAOYSA-N 0 3 366.513 2.881 50 0 FFAAHN COCCc1ncc(CN2CCCC23CCN(c2ccccn2)CC3)cn1 ZINC000072473184 136149073 /nfs/dbraw/zinc/14/90/73/136149073.db2.gz NYJPFQXUHXGFJD-UHFFFAOYSA-N 0 3 367.497 2.696 50 0 FFAAHN CC(C)c1ccccc1NC(=O)NCC[C@H]1CCC(=O)N1CCN(C)C ZINC000096132941 222038494 /nfs/dbraw/zinc/03/84/94/222038494.db2.gz YZQZSXUPDZHZLL-MRXNPFEDSA-N 0 3 360.502 2.874 50 0 FFAAHN Cc1nc(CCc2nc(-c3ccccc3C)no2)n(C2CCN(C)CC2)n1 ZINC000096148347 222050701 /nfs/dbraw/zinc/05/07/01/222050701.db2.gz KGSYXYLANPIEBN-UHFFFAOYSA-N 0 3 366.469 2.997 50 0 FFAAHN COC(=O)/C=C1\SCC(=O)N1CCCN1CCC[C@@H]1c1ccccc1 ZINC000096313892 222113379 /nfs/dbraw/zinc/11/33/79/222113379.db2.gz IBUDYYWSSQUPLZ-OKSBFYSISA-N 0 3 360.479 2.803 50 0 FFAAHN Cn1ccc2ccc(C(=O)NCC3(N4CCN(C)CC4)CCCCC3)cc21 ZINC000097155605 222164488 /nfs/dbraw/zinc/16/44/88/222164488.db2.gz ZNWKVVBOBWUTAC-UHFFFAOYSA-N 0 3 368.525 2.858 50 0 FFAAHN OC[C@H]1CN(Cc2c[nH]cn2)CCC12CCN(Cc1cccc(F)c1)CC2 ZINC000097553317 222190874 /nfs/dbraw/zinc/19/08/74/222190874.db2.gz FOAYRJTVPQFUGG-GOSISDBHSA-N 0 3 372.488 2.645 50 0 FFAAHN CCc1ccccc1NC(=O)C[C@H](C)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000097373036 222178069 /nfs/dbraw/zinc/17/80/69/222178069.db2.gz NFMKAQZLYYXQRD-ZDUSSCGKSA-N 0 3 352.438 2.926 50 0 FFAAHN COc1ccc(CN(C)Cc2cc(C(C)(C)C)[nH]n2)cc1Cn1cncn1 ZINC000097574990 222194475 /nfs/dbraw/zinc/19/44/75/222194475.db2.gz YNVTYDRZMCVTFH-UHFFFAOYSA-N 0 3 368.485 2.988 50 0 FFAAHN Cc1cc(-c2nn(C)c(Cl)c2CN(C)CCCc2nccn2C)no1 ZINC000097785243 222213023 /nfs/dbraw/zinc/21/30/23/222213023.db2.gz HOHCGWUEQNSNEU-UHFFFAOYSA-N 0 3 362.865 2.835 50 0 FFAAHN O=C1CC(N(O)c2ccccc2)C(=O)N1c1ccccc1Br ZINC000101030644 222260521 /nfs/dbraw/zinc/26/05/21/222260521.db2.gz BVADSFSELUVLSH-AWEZNQCLSA-N 0 3 361.195 2.977 50 0 FFAAHN CN1CCN(Cc2ccc(C(F)(F)F)cc2F)C[C@@]12CCNC(=O)CC2 ZINC000107412391 222393313 /nfs/dbraw/zinc/39/33/13/222393313.db2.gz SFOBVRHKCPYXFJ-QGZVFWFLSA-N 0 3 373.394 2.631 50 0 FFAAHN O=c1c2ccc(C(F)(F)F)cc2ncn1CCCN1CCCC[C@@H]1CO ZINC000032593120 506268332 /nfs/dbraw/zinc/26/83/32/506268332.db2.gz IYWFXZFKEMVVCI-CQSZACIVSA-N 0 3 369.387 2.652 50 0 FFAAHN O=C(NC1CCCC1)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1 ZINC000065256249 506277417 /nfs/dbraw/zinc/27/74/17/506277417.db2.gz SRDRIBVNSLKWTI-IBGZPJMESA-N 0 3 350.466 2.905 50 0 FFAAHN CC(=O)Nc1nc2ccc(CC(=O)NCCN3CCCC[C@@H]3C)cc2s1 ZINC000032959587 506317810 /nfs/dbraw/zinc/31/78/10/506317810.db2.gz JJZCRMSGXGBDSR-ZDUSSCGKSA-N 0 3 374.510 2.788 50 0 FFAAHN Cc1ccc2[nH]c(N3CCC[C@@H](C(=O)NCCN4CCCCC4)C3)nc2c1 ZINC000033072040 506332491 /nfs/dbraw/zinc/33/24/91/506332491.db2.gz DHPDWHQZQNKBCE-QGZVFWFLSA-N 0 3 369.513 2.690 50 0 FFAAHN Cc1ccc2nc(N3CCC[C@@H](C(=O)NCCN4CCCCC4)C3)[nH]c2c1 ZINC000033072040 506332499 /nfs/dbraw/zinc/33/24/99/506332499.db2.gz DHPDWHQZQNKBCE-QGZVFWFLSA-N 0 3 369.513 2.690 50 0 FFAAHN CCCCN(C)CCNC(=O)[C@H](NC(=O)C1CCC(C)CC1)C(C)C ZINC000003895656 506351634 /nfs/dbraw/zinc/35/16/34/506351634.db2.gz IWNHOHZUZOCUJC-DAWZGUTISA-N 0 3 353.551 2.802 50 0 FFAAHN COCCN(Cc1cccc(OC)c1)C[C@@H](O)COc1ccccc1C ZINC000036100150 506396157 /nfs/dbraw/zinc/39/61/57/506396157.db2.gz DKRSNBYKECLIGH-LJQANCHMSA-N 0 3 359.466 2.892 50 0 FFAAHN O=C(c1cc(C2CC2)n[nH]1)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 ZINC000036614093 506408519 /nfs/dbraw/zinc/40/85/19/506408519.db2.gz HJUKBCPPUZYXOF-UHFFFAOYSA-N 0 3 354.498 2.870 50 0 FFAAHN CN1CCN(CCCNC(=O)Cc2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC000040081451 506463158 /nfs/dbraw/zinc/46/31/58/506463158.db2.gz PJYWVSSVOSCKMI-NRFANRHFSA-N 0 3 369.484 2.863 50 0 FFAAHN CCOc1ccc(Br)cc1CNCCCN1CCOCC1 ZINC000006702721 506499547 /nfs/dbraw/zinc/49/95/47/506499547.db2.gz GMTFKAHADXOIKB-UHFFFAOYSA-N 0 3 357.292 2.660 50 0 FFAAHN CC(C)[C@@H](C)NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000008735471 506665960 /nfs/dbraw/zinc/66/59/60/506665960.db2.gz ISMGSZNBSXBXKJ-RISCZKNCSA-N 0 3 357.376 2.927 50 0 FFAAHN CC[C@@H](C)c1ccc([C@@H](NCCS(=O)(=O)CCC(N)=O)C(C)C)cc1 ZINC000009478917 506699281 /nfs/dbraw/zinc/69/92/81/506699281.db2.gz AMFZUOBEUNSXHP-BEFAXECRSA-N 0 3 368.543 2.777 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)CCCc1nc(-c2ccccc2C)no1 ZINC000055325026 506727575 /nfs/dbraw/zinc/72/75/75/506727575.db2.gz APGSNBLJFNMAFN-MRXNPFEDSA-N 0 3 356.470 2.968 50 0 FFAAHN Cc1ncc(CN2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)n1C ZINC000012302510 506845615 /nfs/dbraw/zinc/84/56/15/506845615.db2.gz TVCFJLAJZJKWIW-NRFANRHFSA-N 0 3 370.472 2.882 50 0 FFAAHN Cc1cccc(CNC[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)c1 ZINC000012303926 506847571 /nfs/dbraw/zinc/84/75/71/506847571.db2.gz MUIPGZSYQTWAIX-OAQYLSRUSA-N 0 3 374.431 2.917 50 0 FFAAHN COc1ccc(C(=O)[C@H]2CCCN(CCCn3cccn3)C2)c(OC)c1 ZINC000012387446 506857991 /nfs/dbraw/zinc/85/79/91/506857991.db2.gz BTZPFFRPHAZWSN-INIZCTEOSA-N 0 3 357.454 2.885 50 0 FFAAHN CCN1CCC(NC(=O)NCCOc2cccc(Br)c2)CC1 ZINC000057364795 507246805 /nfs/dbraw/zinc/24/68/05/507246805.db2.gz PKJRTHLZUCSCMU-UHFFFAOYSA-N 0 3 370.291 2.611 50 0 FFAAHN COCCN1CCC(CNC(=O)COc2ccc3ccccc3c2)CC1 ZINC000023014090 507324876 /nfs/dbraw/zinc/32/48/76/507324876.db2.gz DVEXIQMICUOFAP-UHFFFAOYSA-N 0 3 356.466 2.693 50 0 FFAAHN COc1ccc(C(=O)NCC2CCN(Cc3ccco3)CC2)cc1OC ZINC000023128032 507331363 /nfs/dbraw/zinc/33/13/63/507331363.db2.gz ODDDINNEQCXNTM-UHFFFAOYSA-N 0 3 358.438 2.939 50 0 FFAAHN Cc1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccco3)CC2)cc1F ZINC000023127484 507332346 /nfs/dbraw/zinc/33/23/46/507332346.db2.gz DDUNIQVXMOEMCC-UHFFFAOYSA-N 0 3 373.428 2.694 50 0 FFAAHN COc1ccc(CNCCC(=O)NCc2ccccc2)c(OC)c1OC ZINC000058209480 507385406 /nfs/dbraw/zinc/38/54/06/507385406.db2.gz ZWBBLDXHOGNOEA-UHFFFAOYSA-N 0 3 358.438 2.509 50 0 FFAAHN CNC(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1 ZINC000048057982 507444212 /nfs/dbraw/zinc/44/42/12/507444212.db2.gz AQYRPGDCUKZXIT-UHFFFAOYSA-N 0 3 372.444 2.781 50 0 FFAAHN CC(C)NC(=O)CC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCCC1 ZINC000024843293 507444530 /nfs/dbraw/zinc/44/45/30/507444530.db2.gz BNRFZYXERUUYQL-LJQANCHMSA-N 0 3 371.525 2.852 50 0 FFAAHN CCc1ccccc1C(=O)N1CCC[C@@H](Cn2cc(C(C)(C)N)nn2)C1 ZINC000048436021 507522888 /nfs/dbraw/zinc/52/28/88/507522888.db2.gz LYXZHSIGQAEVNO-OAHLLOKOSA-N 0 3 355.486 2.587 50 0 FFAAHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNC[C@H]1CCS(=O)(=O)C1 ZINC000048709552 507553448 /nfs/dbraw/zinc/55/34/48/507553448.db2.gz XXJFJXVKNBGXMX-CQSZACIVSA-N 0 3 367.902 2.667 50 0 FFAAHN Cc1c(C(=O)NCC(C)C)nnn1-c1cccc2c1CCN(CC1CC1)C2 ZINC000069902442 507580497 /nfs/dbraw/zinc/58/04/97/507580497.db2.gz QUIKGESBZURGAQ-UHFFFAOYSA-N 0 3 367.497 2.730 50 0 FFAAHN O=C(CCNC(=O)c1ccccc1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000027602841 507670996 /nfs/dbraw/zinc/67/09/96/507670996.db2.gz YHAYARAQLSMCDM-KRWDZBQOSA-N 0 3 371.506 2.821 50 0 FFAAHN COCCN1CCC[C@]2(CCN(C(=O)c3nccc4ccccc43)C2)C1 ZINC000072146624 507757683 /nfs/dbraw/zinc/75/76/83/507757683.db2.gz XRLBWLFMEGNOHN-NRFANRHFSA-N 0 3 353.466 2.809 50 0 FFAAHN CCn1ncc(S(=O)(=O)N[C@H]2CCCN(C3CCCCCC3)C2)c1C ZINC000072147742 507758131 /nfs/dbraw/zinc/75/81/31/507758131.db2.gz IMYUWQXAOMRGTK-INIZCTEOSA-N 0 3 368.547 2.677 50 0 FFAAHN CCCCN(CC)CC1=NC(=O)N[C@H](c2ccc(C)cc2)C1C(=O)OC ZINC000051318289 507761800 /nfs/dbraw/zinc/76/18/00/507761800.db2.gz YXHCGPGUUSKHBI-GOSISDBHSA-N 0 3 359.470 2.898 50 0 FFAAHN CCCCN(CC)CC1=C(C(=O)OC)[C@@H](c2ccc(C)cc2)NC(=O)N1 ZINC000051318289 507761804 /nfs/dbraw/zinc/76/18/04/507761804.db2.gz YXHCGPGUUSKHBI-GOSISDBHSA-N 0 3 359.470 2.898 50 0 FFAAHN COC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318306 507761974 /nfs/dbraw/zinc/76/19/74/507761974.db2.gz BOMZDMABBNUWFC-SFHVURJKSA-N 0 3 357.454 2.508 50 0 FFAAHN CC(C)c1cc(N2CCCN(Cc3ccncc3)CC2)n2nccc2n1 ZINC000072165820 507768137 /nfs/dbraw/zinc/76/81/37/507768137.db2.gz DCJQWZJULJUXLW-UHFFFAOYSA-N 0 3 350.470 2.960 50 0 FFAAHN O=C1CC[C@H]2CN(Cc3ccccc3F)CC[C@H]2N1CCc1c[nH]cn1 ZINC000072447202 507792034 /nfs/dbraw/zinc/79/20/34/507792034.db2.gz HLGGRHZFSGRRLD-QFBILLFUSA-N 0 3 356.445 2.604 50 0 FFAAHN O=C1CC[C@H]2CN(Cc3ccccc3F)CC[C@H]2N1CCc1cnc[nH]1 ZINC000072447202 507792035 /nfs/dbraw/zinc/79/20/35/507792035.db2.gz HLGGRHZFSGRRLD-QFBILLFUSA-N 0 3 356.445 2.604 50 0 FFAAHN Cc1nc2c(c(NC[C@@H]3CCOC3)n1)CCN(Cc1cccs1)CC2 ZINC000072467918 507794874 /nfs/dbraw/zinc/79/48/74/507794874.db2.gz RKDLDGJRWPYMKR-HNNXBMFYSA-N 0 3 358.511 2.896 50 0 FFAAHN COCCCN(C(=O)c1cc2cc(OC)ccc2[nH]1)C1CCN(C)CC1 ZINC000072477035 507796395 /nfs/dbraw/zinc/79/63/95/507796395.db2.gz YCCGBDKOFYCSED-UHFFFAOYSA-N 0 3 359.470 2.749 50 0 FFAAHN CN1CCN(CCCNC(=O)c2ccccc2Nc2ccc(F)cc2)CC1 ZINC000072753553 507849833 /nfs/dbraw/zinc/84/98/33/507849833.db2.gz LPTHJFUMKXFAOO-UHFFFAOYSA-N 0 3 370.472 2.937 50 0 FFAAHN COc1ccccc1CN1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1c(C)noc1C ZINC000091603400 507995812 /nfs/dbraw/zinc/99/58/12/507995812.db2.gz ZLJYVDWCHFROST-ZWKOTPCHSA-N 0 3 369.465 2.923 50 0 FFAAHN CCN1CCc2nc[nH]c2C12CCN(Cc1c(C)nc3sccn13)CC2 ZINC000091779124 508012395 /nfs/dbraw/zinc/01/23/95/508012395.db2.gz SLEVZIKEDPIRSV-UHFFFAOYSA-N 0 3 370.526 2.797 50 0 FFAAHN c1cncc(CN2C[C@H]3CC[C@H](CN3Cc3ccc4c(c3)OCCO4)C2)c1 ZINC000091780405 508012460 /nfs/dbraw/zinc/01/24/60/508012460.db2.gz AENIDZKKXJKSCW-VQTJNVASSA-N 0 3 365.477 2.949 50 0 FFAAHN O=C1N(CCO)CCC[C@@]12CCN(Cc1ccccc1C(F)(F)F)C2 ZINC000091808480 508014957 /nfs/dbraw/zinc/01/49/57/508014957.db2.gz ZJJADHZKVNRUNR-KRWDZBQOSA-N 0 3 356.388 2.512 50 0 FFAAHN CCCc1nc(C(=O)N2CCCO[C@H](CN3CCCCC3)C2)cs1 ZINC000091965475 508028524 /nfs/dbraw/zinc/02/85/24/508028524.db2.gz NGARIVXFLNUPDM-OAHLLOKOSA-N 0 3 351.516 2.813 50 0 FFAAHN CCn1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)n1 ZINC000092066555 508038811 /nfs/dbraw/zinc/03/88/11/508038811.db2.gz RJPXPSLEOXKPDS-QFBILLFUSA-N 0 3 364.493 2.607 50 0 FFAAHN CC(C)c1cc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)no1 ZINC000095361526 508176356 /nfs/dbraw/zinc/17/63/56/508176356.db2.gz PHCWBVXNJSQREK-OAHLLOKOSA-N 0 3 359.474 2.576 50 0 FFAAHN O=C(NCCN1CCc2ccccc21)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095368331 508177320 /nfs/dbraw/zinc/17/73/20/508177320.db2.gz XURGKDPHEKBRQZ-SFHVURJKSA-N 0 3 353.466 2.671 50 0 FFAAHN O=C(CCN1C[C@H]2CC[C@H](CN2CC2CCC2)C1)NCc1cccs1 ZINC000095368049 508177451 /nfs/dbraw/zinc/17/74/51/508177451.db2.gz QPZHFMQEFKCGCK-ZWKOTPCHSA-N 0 3 361.555 2.951 50 0 FFAAHN c1nc(CN2C[C@H]3CC[C@H](CN3Cc3cccc4nonc43)C2)cs1 ZINC000095376221 508179570 /nfs/dbraw/zinc/17/95/70/508179570.db2.gz WCZHXFMIXKGQBU-XJKSGUPXSA-N 0 3 355.467 2.776 50 0 FFAAHN Cc1ccc([C@H](C(=O)N2CCC(N3CCSCC3)CC2)N(C)C)cc1 ZINC000095376098 508180014 /nfs/dbraw/zinc/18/00/14/508180014.db2.gz OZSHZWJMPNEFOR-LJQANCHMSA-N 0 3 361.555 2.638 50 0 FFAAHN O=C(NCCc1cn2ccsc2n1)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095390778 508183760 /nfs/dbraw/zinc/18/37/60/508183760.db2.gz RILHZUKYLGQDHM-AWEZNQCLSA-N 0 3 358.467 2.560 50 0 FFAAHN O=C(NC1CCCC1)c1ccc(OC2CCN(CCO)CC2)c(Cl)c1 ZINC000095509202 508192963 /nfs/dbraw/zinc/19/29/63/508192963.db2.gz FWDKWIYOQMYLFS-UHFFFAOYSA-N 0 3 366.889 2.848 50 0 FFAAHN O[C@H]1CN(Cc2c[nH]c(CC3CCCC3)n2)CCN(Cc2ccccc2)C1 ZINC000095521292 508194586 /nfs/dbraw/zinc/19/45/86/508194586.db2.gz BPZWFYKBJMHAJH-OAQYLSRUSA-N 0 3 368.525 2.821 50 0 FFAAHN O[C@H]1CN(Cc2cnc(CC3CCCC3)[nH]2)CCN(Cc2ccccc2)C1 ZINC000095521292 508194591 /nfs/dbraw/zinc/19/45/91/508194591.db2.gz BPZWFYKBJMHAJH-OAQYLSRUSA-N 0 3 368.525 2.821 50 0 FFAAHN CN(C)C(=O)CN1CCC(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000095521562 508194875 /nfs/dbraw/zinc/19/48/75/508194875.db2.gz IJNKXUDWVIGOMF-UHFFFAOYSA-N 0 3 369.868 2.998 50 0 FFAAHN CCN1CCc2nc[nH]c2C12CCN(Cc1ccc3nsnc3c1)CC2 ZINC000095525042 508195812 /nfs/dbraw/zinc/19/58/12/508195812.db2.gz BXDCWJDZVBXGAR-UHFFFAOYSA-N 0 3 368.510 2.784 50 0 FFAAHN O=C(/C=C\c1ccc2c(c1)OCO2)NCCCN1CCc2ccccc2C1 ZINC000096401551 508214541 /nfs/dbraw/zinc/21/45/41/508214541.db2.gz KMKKWXOEEXPOBL-CLFYSBASSA-N 0 3 364.445 2.993 50 0 FFAAHN Cc1nc([C@H]2CCCN(C(=O)C3([NH+]4CCCC4)CCCC3)C2)cc(=O)[n-]1 ZINC000082160805 508227266 /nfs/dbraw/zinc/22/72/66/508227266.db2.gz TZIASGPZXOPTCA-INIZCTEOSA-N 0 3 358.486 2.605 50 0 FFAAHN CCN(CC)CCNS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000076825403 508256265 /nfs/dbraw/zinc/25/62/65/508256265.db2.gz DYTIRDOYMFGYQN-UHFFFAOYSA-N 0 3 355.287 2.622 50 0 FFAAHN CN(CC1CCN(Cc2ccccc2)CC1)C(=O)COC[C@H]1CCCCO1 ZINC000077356896 508305130 /nfs/dbraw/zinc/30/51/30/508305130.db2.gz PIRKUDRAEOEQOI-OAQYLSRUSA-N 0 3 374.525 2.943 50 0 FFAAHN CN1CCC(N(Cc2ccncc2)C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000077389453 508309324 /nfs/dbraw/zinc/30/93/24/508309324.db2.gz DTUFPXXPCJKHNH-UHFFFAOYSA-N 0 3 353.422 2.547 50 0 FFAAHN CCc1ccc2nc(C)cc(C(=O)N[C@H]3CN(C(C)C)C[C@@H]3OC)c2c1 ZINC000077393660 508310306 /nfs/dbraw/zinc/31/03/06/508310306.db2.gz MRFGCNHZQPQWRY-PMACEKPBSA-N 0 3 355.482 2.943 50 0 FFAAHN C[C@H](CC(=O)N1CCCN(C2Cc3ccccc3C2)CC1)n1ccnc1 ZINC000077452123 508317880 /nfs/dbraw/zinc/31/78/80/508317880.db2.gz UWRBAMNWBCKOPW-QGZVFWFLSA-N 0 3 352.482 2.536 50 0 FFAAHN CC[C@@H](C(=O)N1CCC2(CN(CCC(C)C)C(=O)O2)CC1)N1CCCC1 ZINC000077516197 508326731 /nfs/dbraw/zinc/32/67/31/508326731.db2.gz QXBJZNYPSACPGJ-KRWDZBQOSA-N 0 3 365.518 2.720 50 0 FFAAHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 ZINC000222058228 509309739 /nfs/dbraw/zinc/30/97/39/509309739.db2.gz YAINDUZPDCUSGM-JSGCOSHPSA-N 0 3 372.391 2.971 50 0 FFAAHN C[C@H]1C[C@H]1c1ccc(CN(C)C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)o1 ZINC000225811202 509389562 /nfs/dbraw/zinc/38/95/62/509389562.db2.gz RWCYVBIUJOGGJB-WBFDFMGXSA-N 0 3 356.470 2.788 50 0 FFAAHN CN(Cc1ccc([S@](C)=O)cc1)C1CCN(C(=O)c2ccco2)CC1 ZINC000170602802 509677173 /nfs/dbraw/zinc/67/71/73/509677173.db2.gz QNFHEDFNAVXSLX-VWLOTQADSA-N 0 3 360.479 2.754 50 0 FFAAHN C[C@@H]1C[C@H](N(C)C(=O)c2csc(CN)n2)CCN1Cc1ccccc1 ZINC000237586482 509684009 /nfs/dbraw/zinc/68/40/09/509684009.db2.gz WDCHMVZECUHZPO-GDBMZVCRSA-N 0 3 358.511 2.727 50 0 FFAAHN CN(C)CCOc1ccccc1C(=O)NC[C@](C)(CO)Cc1ccccc1 ZINC000252484295 509840624 /nfs/dbraw/zinc/84/06/24/509840624.db2.gz FTWAIDPZNUODAU-JOCHJYFZSA-N 0 3 370.493 2.598 50 0 FFAAHN CN1CCN(CCCOc2ccc(C(N)=O)cc2)C[C@H]1c1ccccc1 ZINC000240825183 509842025 /nfs/dbraw/zinc/84/20/25/509842025.db2.gz QNWDCGVQWUTCPV-FQEVSTJZSA-N 0 3 353.466 2.543 50 0 FFAAHN COCCN(C)c1ccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)cn1 ZINC000252489391 509842227 /nfs/dbraw/zinc/84/22/27/509842227.db2.gz JPZNJMOMFFDOSK-HNNXBMFYSA-N 0 3 357.454 2.786 50 0 FFAAHN CC(C)(C)c1oc(C(N)=O)cc1CN1CCC(N2CCSCC2)CC1 ZINC000243892835 509854383 /nfs/dbraw/zinc/85/43/83/509854383.db2.gz ALTMQHSLUFRPGM-UHFFFAOYSA-N 0 3 365.543 2.689 50 0 FFAAHN O=C(CCN1CCC([C@@H](O)c2cccs2)CC1)Nc1nccs1 ZINC000244633243 509862072 /nfs/dbraw/zinc/86/20/72/509862072.db2.gz FZLYDSORMYILSE-OAHLLOKOSA-N 0 3 351.497 2.979 50 0 FFAAHN C[C@@H](C1CCN(C(=O)CC2Cc3ccccc3C2)CC1)N1CCOCC1 ZINC000244795027 509871126 /nfs/dbraw/zinc/87/11/26/509871126.db2.gz QYGBCHKPOJLZFB-KRWDZBQOSA-N 0 3 356.510 2.751 50 0 FFAAHN CCc1cccc(CC)c1NC(=O)CCN1CCC(N2CCOCC2)CC1 ZINC000244831512 509873010 /nfs/dbraw/zinc/87/30/10/509873010.db2.gz UFCXLERBMAXGIQ-UHFFFAOYSA-N 0 3 373.541 2.937 50 0 FFAAHN O[C@H]1C[C@@H]([C@H](NC2CSCCSC2)c2ccc3c(c2)CCO3)C1 ZINC000244872958 509873860 /nfs/dbraw/zinc/87/38/60/509873860.db2.gz WHLYMYUJLRPGNB-UWWQBHOKSA-N 0 3 351.537 2.872 50 0 FFAAHN O=C([C@@H]1CN(Cc2cccnc2)C[C@H]1c1ccncc1)N1CCCCC1 ZINC000257189177 509952453 /nfs/dbraw/zinc/95/24/53/509952453.db2.gz NNAVPMQOESTXMD-VQTJNVASSA-N 0 3 350.466 2.705 50 0 FFAAHN CCn1ncc(CN2CCC3(CC[C@@H]3OCc3nc(C)no3)CC2)c1C ZINC000257193592 509953110 /nfs/dbraw/zinc/95/31/10/509953110.db2.gz ZDAMAEDOCMBGLE-KRWDZBQOSA-N 0 3 359.474 2.864 50 0 FFAAHN CCc1nc(C2CCN(C[C@@H](O)COc3c(C)cccc3C)CC2)n[nH]1 ZINC000190645084 510258266 /nfs/dbraw/zinc/25/82/66/510258266.db2.gz FPVLJCVNLXJZIV-QGZVFWFLSA-N 0 3 358.486 2.603 50 0 FFAAHN CCc1n[nH]c(C2CCN(C[C@@H](O)COc3c(C)cccc3C)CC2)n1 ZINC000190645084 510258272 /nfs/dbraw/zinc/25/82/72/510258272.db2.gz FPVLJCVNLXJZIV-QGZVFWFLSA-N 0 3 358.486 2.603 50 0 FFAAHN Cc1cc2ncn(C[C@@H](O)CN3CC[C@@H](Oc4cccnc4)C3)c2cc1C ZINC000246770695 510662934 /nfs/dbraw/zinc/66/29/34/510662934.db2.gz QKNIUMNCZJVGQY-PKOBYXMFSA-N 0 3 366.465 2.562 50 0 FFAAHN CN1CC[C@@H](NC(=O)N2CCOc3cc(O)ccc3C2)[C@H]1c1ccccc1 ZINC000332856337 511130619 /nfs/dbraw/zinc/13/06/19/511130619.db2.gz XUSRGJISLLQPDO-UYAOXDASSA-N 0 3 367.449 2.742 50 0 FFAAHN Cc1cc2c(cc1C)[C@@H](C(=O)N1C[C@@H](c3ccccc3F)[C@H](N)C1)CO2 ZINC000333339523 511210304 /nfs/dbraw/zinc/21/03/04/511210304.db2.gz XTEXPXFZFLDDMK-JENIJYKNSA-N 0 3 354.425 2.872 50 0 FFAAHN O=C(NCc1cc2n(n1)CCCNC2)c1cccc(-c2ncccc2F)c1 ZINC000426387584 513924864 /nfs/dbraw/zinc/92/48/64/513924864.db2.gz BWMZDJUSJSNMSN-UHFFFAOYSA-N 0 3 365.412 2.508 50 0 FFAAHN Cc1n[nH]c(C)c1CCN1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000426472971 513951094 /nfs/dbraw/zinc/95/10/94/513951094.db2.gz QLKCUKRFFFRVGU-UHFFFAOYSA-N 0 3 366.509 2.866 50 0 FFAAHN CN(C)[C@@H]1CCN(C(=O)c2cc(COc3cccc4cnccc43)on2)C1 ZINC000011997149 517910475 /nfs/dbraw/zinc/91/04/75/517910475.db2.gz UGKUTFKPATZBAC-OAHLLOKOSA-N 0 3 366.421 2.578 50 0 FFAAHN Cc1cc(C)n(C2CN(C(=O)NC3CCN(Cc4cccs4)CC3)C2)n1 ZINC000584903290 518531731 /nfs/dbraw/zinc/53/17/31/518531731.db2.gz USFRDJIIMYWDJF-UHFFFAOYSA-N 0 3 373.526 2.792 50 0 FFAAHN O=C(CC(F)(F)F)NC[C@H]1CCCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000580602123 519259411 /nfs/dbraw/zinc/25/94/11/519259411.db2.gz AXIUPYZIVZNBTR-CYBMUJFWSA-N 0 3 354.376 2.844 50 0 FFAAHN CC(C)c1cc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)[nH]n1 ZINC000019791261 519832910 /nfs/dbraw/zinc/83/29/10/519832910.db2.gz PNWMTESOGKDSLL-FQEVSTJZSA-N 0 3 356.514 2.644 50 0 FFAAHN CC(C)c1cc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)n[nH]1 ZINC000019791261 519832911 /nfs/dbraw/zinc/83/29/11/519832911.db2.gz PNWMTESOGKDSLL-FQEVSTJZSA-N 0 3 356.514 2.644 50 0 FFAAHN CN1CCN(CCCNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[C@H](c2ccccc2)C1 ZINC000242284636 523897017 /nfs/dbraw/zinc/89/70/17/523897017.db2.gz YIJRWLCCJBJQOF-JSXRDJHFSA-N 0 3 355.526 2.918 50 0 FFAAHN Cc1cc(C(=O)NCCCOC2CCN(C)CC2)c2ccc(F)cc2n1 ZINC000082156835 526266758 /nfs/dbraw/zinc/26/67/58/526266758.db2.gz RDLGEFQCERRHQV-UHFFFAOYSA-N 0 3 359.445 2.913 50 0 FFAAHN O=C(NCc1ccc2c(c1)OCO2)C1CCN(Cc2ccccc2)CC1 ZINC000020100523 526698282 /nfs/dbraw/zinc/69/82/82/526698282.db2.gz GNYXCDAYYXAHQV-UHFFFAOYSA-N 0 3 352.434 2.944 50 0 FFAAHN CN(C)C(=O)COc1ccccc1CNC[C@H]1CCN(c2ccccc2)C1 ZINC000048375257 570953833 /nfs/dbraw/zinc/95/38/33/570953833.db2.gz REDIVXKULBSBOY-GOSISDBHSA-N 0 3 367.493 2.770 50 0 FFAAHN O=C(NCCc1ccccc1)N(CCN1CCCCC1)C1CCOCC1 ZINC000675019892 971498124 /nfs/dbraw/zinc/49/81/24/971498124.db2.gz LXYKUXHZGJRUAX-UHFFFAOYSA-N 0 3 359.514 2.906 50 0 FFAAHN COC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000643919644 978203253 /nfs/dbraw/zinc/20/32/53/978203253.db2.gz WMGXAUAHDBNUJK-FIKGOQFSSA-N 0 3 374.481 2.965 50 0 FFAAHN COc1cc(C(=O)NC[C@@H]2CCCN(Cc3cccc(F)c3)C2)ccn1 ZINC000824852241 999276142 /nfs/dbraw/zinc/27/61/42/999276142.db2.gz YJRQDNDOTRCJMM-INIZCTEOSA-N 0 3 357.429 2.871 50 0 FFAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)c2cc(C(C)C)nc(N)n2)C1 ZINC000827587185 999504822 /nfs/dbraw/zinc/50/48/22/999504822.db2.gz MURQXESIJVAJKU-INIZCTEOSA-N 0 3 367.497 2.710 50 0 FFAAHN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1c1nc2c(cnn2C)c(=O)[nH]1 ZINC000585090437 1008339737 /nfs/dbraw/zinc/33/97/37/1008339737.db2.gz NDNCKNRPLWRPRF-RRFJBIMHSA-N 0 3 366.469 2.557 50 0 FFAAHN O=C(c1ccco1)N1CCC[C@@H](NCc2cc3ccccc3[nH]c2=O)C1 ZINC000952964104 1011013509 /nfs/dbraw/zinc/01/35/09/1011013509.db2.gz NBZGWYIVEOZWLI-MRXNPFEDSA-N 0 3 351.406 2.928 50 0 FFAAHN Cc1ccc2n[nH]c(C(=O)N3CCCC[C@H]3CCN3CCOCC3)c2c1 ZINC000077387734 1020666843 /nfs/dbraw/zinc/66/68/43/1020666843.db2.gz UDNUOESXQAQLKL-INIZCTEOSA-N 0 3 356.470 2.588 50 0 FFAAHN C[C@@H]1C[C@@H]1c1noc(CC2CCN(C(=O)C3(N)CC4(CCC4)C3)CC2)n1 ZINC000659328025 1026004553 /nfs/dbraw/zinc/00/45/53/1026004553.db2.gz IVYHOHHVEWGHCQ-HIFRSBDPSA-N 0 3 358.486 2.636 50 0 FFAAHN Cc1ccc(-c2csc(NC(=O)CN3CCCN(C)CC3)n2)s1 ZINC001506417286 1059505855 /nfs/dbraw/zinc/50/58/55/1059505855.db2.gz PGYVPMCNZYNBAU-UHFFFAOYSA-N 0 3 350.513 2.756 50 0 FFAAHN O[C@@H]1CN(Cc2ccccc2OC2CCCC2)C[C@H]1Cc1cnccn1 ZINC001529133535 1062181217 /nfs/dbraw/zinc/18/12/17/1062181217.db2.gz OECIFZLJMSYOTA-YLJYHZDGSA-N 0 3 353.466 2.833 50 0 FFAAHN CCn1cc(-c2cccc(C(=O)N(CCN(C)C)C[C@@H]3CCCO3)c2)cn1 ZINC000299778253 210023103 /nfs/dbraw/zinc/02/31/03/210023103.db2.gz PCYFYVGACIGINC-FQEVSTJZSA-N 0 3 370.497 2.753 50 0 FFAAHN CCOC(=O)c1coc(-c2ccc(NC(=O)N3CC[C@H](N(C)C)C3)cc2)n1 ZINC000299758101 210009013 /nfs/dbraw/zinc/00/90/13/210009013.db2.gz BTTVRHLVNFVMQO-HNNXBMFYSA-N 0 3 372.425 2.686 50 0 FFAAHN CCS(=O)(=O)c1ccccc1C(=O)NCCCCN1CCC(C)CC1 ZINC000058968274 212015322 /nfs/dbraw/zinc/01/53/22/212015322.db2.gz BJDJQRJWJYTDCD-UHFFFAOYSA-N 0 3 366.527 2.722 50 0 FFAAHN CN(C)Cc1ccc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)cc1 ZINC000058379464 212007961 /nfs/dbraw/zinc/00/79/61/212007961.db2.gz OBYIPFQWUCYKDD-UHFFFAOYSA-N 0 3 365.477 2.914 50 0 FFAAHN Cc1noc2ncc(C(=O)N(CCN(C)C)Cc3ccccc3F)cc12 ZINC000058268353 212001622 /nfs/dbraw/zinc/00/16/22/212001622.db2.gz AEOFAKYEAURLHA-UHFFFAOYSA-N 0 3 356.401 2.874 50 0 FFAAHN CCC12CN3CC(CC)(CN(C1)C31CCN(Cc3ccccc3)CC1)C2O ZINC000019331491 220251988 /nfs/dbraw/zinc/25/19/88/220251988.db2.gz RRDYGMGCYBODDD-UHFFFAOYSA-N 0 3 369.553 2.777 50 0 biogenic FFAAHN Cc1ccc(C(=O)Nc2cccc(CNCCN3CCOCC3)c2)cc1 ZINC000023479799 211390051 /nfs/dbraw/zinc/39/00/51/211390051.db2.gz IORZRQUZOBFSHH-UHFFFAOYSA-N 0 3 353.466 2.669 50 0 FFAAHN Cc1nc[nH]c1CN1CCC[C@H](Cn2cc(Cc3ccccc3)nn2)C1 ZINC000023231644 211379386 /nfs/dbraw/zinc/37/93/86/211379386.db2.gz SOQQYIJSNWMCNH-SFHVURJKSA-N 0 3 350.470 2.813 50 0 FFAAHN CN1CCN(C[C@@H](O)Cn2c3c(c4cccc(Cl)c42)CCCC3)CC1 ZINC000022918322 211372354 /nfs/dbraw/zinc/37/23/54/211372354.db2.gz NAUNZADOQZNCQT-OAHLLOKOSA-N 0 3 361.917 2.782 50 0 FFAAHN CC(C)CCN1CCN(Cc2cccn2-c2ccccn2)C[C@@H]1CCO ZINC000022932551 211370435 /nfs/dbraw/zinc/37/04/35/211370435.db2.gz BCBZHSQWXNJVLH-IBGZPJMESA-N 0 3 356.514 2.787 50 0 FFAAHN COC(=O)c1ccc(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)cc1 ZINC000022851156 211366377 /nfs/dbraw/zinc/36/63/77/211366377.db2.gz RQCLKZXUMUEKHI-OAQYLSRUSA-N 0 3 374.525 2.922 50 0 FFAAHN COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000020029428 211263532 /nfs/dbraw/zinc/26/35/32/211263532.db2.gz CJTGHPGIPVXCHV-SFHVURJKSA-N 0 3 357.454 2.570 50 0 FFAAHN Cc1cc(C(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)c(=O)[nH]c1C ZINC000015074458 211119491 /nfs/dbraw/zinc/11/94/91/211119491.db2.gz VPKJQMSZEVOVKS-IBGZPJMESA-N 0 3 367.493 2.819 50 0 FFAAHN CCN1CCC[C@@H]1CNC(=O)c1cc(COc2cccc(C(C)=O)c2)on1 ZINC000015073996 211118521 /nfs/dbraw/zinc/11/85/21/211118521.db2.gz KRECZTIULKHKNG-MRXNPFEDSA-N 0 3 371.437 2.670 50 0 FFAAHN COc1ccc(C(=O)[C@H]2CCCN(CCCn3cccn3)C2)cc1OC ZINC000014963202 211108745 /nfs/dbraw/zinc/10/87/45/211108745.db2.gz CJKRRGYGKQMKHV-KRWDZBQOSA-N 0 3 357.454 2.885 50 0 FFAAHN COC[C@@H](C)N1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCC(C)C ZINC000014542285 211095432 /nfs/dbraw/zinc/09/54/32/211095432.db2.gz GNOKDWNNFGDGLE-MRXNPFEDSA-N 0 3 353.507 2.575 50 0 FFAAHN Cc1ccc(CN[C@@H]2CCc3c(c(C(=O)N(C)C)nn3CC(C)C)C2)o1 ZINC000014745620 211101147 /nfs/dbraw/zinc/10/11/47/211101147.db2.gz VLCQZZHOFQBACC-OAHLLOKOSA-N 0 3 358.486 2.789 50 0 FFAAHN CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccnn1C ZINC000012052992 210911467 /nfs/dbraw/zinc/91/14/67/210911467.db2.gz MUSJSBUHHAALFN-MRXNPFEDSA-N 0 3 358.461 2.586 50 0 FFAAHN Cc1cccc(N(C[C@@H](O)CN2CCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000000895848 210288991 /nfs/dbraw/zinc/28/89/91/210288991.db2.gz PEGQBEVAWHAZFU-IBGZPJMESA-N 0 3 374.506 2.647 50 0 FFAAHN CN(C)Cc1ccccc1CNC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000022318525 220383127 /nfs/dbraw/zinc/38/31/27/220383127.db2.gz WFCIBUVBJMTCJW-KRWDZBQOSA-N 0 3 365.477 2.956 50 0 FFAAHN Cc1ccc(/C=C/C(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)o1 ZINC000058434854 221119522 /nfs/dbraw/zinc/11/95/22/221119522.db2.gz ITAKOKZGLCMURP-SXSDINLZSA-N 0 3 367.449 2.937 50 0 FFAAHN O=C1CCCN1[C@H]1CCN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC000276835967 256134999 /nfs/dbraw/zinc/13/49/99/256134999.db2.gz RVPSQURZOVSLDO-IBGZPJMESA-N 0 3 351.450 2.857 50 0 FFAAHN O=C(NCc1ccncc1)c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1 ZINC000065256232 221188638 /nfs/dbraw/zinc/18/86/38/221188638.db2.gz BKFVIVPWRNLQQE-HXUWFJFHSA-N 0 3 373.460 2.558 50 0 FFAAHN O=C(NCc1nnc2n1CCCCC2)C1(N2CCCCC2)CCCCC1 ZINC000065490217 221225102 /nfs/dbraw/zinc/22/51/02/221225102.db2.gz VKKLXXJSNVMVKB-UHFFFAOYSA-N 0 3 359.518 2.810 50 0 FFAAHN Cc1ncc(CN2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)s1 ZINC000067489839 221257042 /nfs/dbraw/zinc/25/70/42/221257042.db2.gz NHESDVKAYJJBKP-UHFFFAOYSA-N 0 3 369.494 2.716 50 0 FFAAHN CCNc1cc(N2CCN(C(=O)c3ccccc3Cl)CC2)nc(C)n1 ZINC000067621811 221263544 /nfs/dbraw/zinc/26/35/44/221263544.db2.gz RCPKNHZGTWBUJP-UHFFFAOYSA-N 0 3 359.861 2.833 50 0 FFAAHN Cc1cccnc1CCNC[C@@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067673434 221267679 /nfs/dbraw/zinc/26/76/79/221267679.db2.gz RZWHFJOCWCJAJC-QFIPXVFZSA-N 0 3 373.541 2.846 50 0 FFAAHN Cc1cc(CN(C)Cc2ccc3nsnc3c2)c(C)n1-n1cnnc1 ZINC000067895241 221303145 /nfs/dbraw/zinc/30/31/45/221303145.db2.gz RCCUGOUXIOEGDQ-UHFFFAOYSA-N 0 3 353.455 2.645 50 0 FFAAHN O=C1NCCNC12CCN(Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 ZINC000067964825 221308905 /nfs/dbraw/zinc/30/89/05/221308905.db2.gz CTDGEVVFPFVZJE-UHFFFAOYSA-N 0 3 359.857 2.654 50 0 FFAAHN CCc1[nH]nc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1C ZINC000071759445 221365953 /nfs/dbraw/zinc/36/59/53/221365953.db2.gz GJNWLKPCDKBMIH-DUXKGJEZSA-N 0 3 364.493 2.983 50 0 FFAAHN OCCOc1ccccc1CN1CCN([C@H]2CCc3ccccc3C2)CC1 ZINC000072410632 221503536 /nfs/dbraw/zinc/50/35/36/221503536.db2.gz GJIOWSDSWMNLIN-QFIPXVFZSA-N 0 3 366.505 2.733 50 0 FFAAHN Cc1ncc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(C)n1 ZINC000072434389 221527210 /nfs/dbraw/zinc/52/72/10/221527210.db2.gz KITRLAGTMZBHSM-UHFFFAOYSA-N 0 3 354.498 2.820 50 0 FFAAHN O=C(CN[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)N1CCNC(=O)C1 ZINC000329047129 258127958 /nfs/dbraw/zinc/12/79/58/258127958.db2.gz GBLQUORCWOLJAD-GJZGRUSLSA-N 0 3 369.387 2.730 50 0 FFAAHN Cc1ccc2cc(CN3CC[C@](C)(O)[C@H](C)C3)c(N3CCOCC3)nc2c1 ZINC000092097970 132206219 /nfs/dbraw/zinc/20/62/19/132206219.db2.gz ULZPSPJDTNAHAC-VGSWGCGISA-N 0 3 369.509 2.973 50 0 FFAAHN COc1cc(CN[C@H]2CCCN(c3cccnn3)C2)cc(Cl)c1OC ZINC000109071015 132306740 /nfs/dbraw/zinc/30/67/40/132306740.db2.gz LMYISORXPAYCFN-AWEZNQCLSA-N 0 3 362.861 2.906 50 0 FFAAHN CC(C)Nc1nc(N2CCN(C3CCCCC3)CC2)nc2c1cnn2C ZINC000033266217 136117528 /nfs/dbraw/zinc/11/75/28/136117528.db2.gz MNAVNWOHXOAKTM-UHFFFAOYSA-N 0 3 357.506 2.638 50 0 FFAAHN C[C@H](CC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)C1CC1 ZINC000058403251 136131656 /nfs/dbraw/zinc/13/16/56/136131656.db2.gz UGFOLYLSDHROCJ-RTBURBONSA-N 0 3 370.541 2.878 50 0 FFAAHN O=C(NCCN1CC[C@H](c2ccccc2)C1)c1cnc(-c2cccnc2)nc1 ZINC000095353651 221854784 /nfs/dbraw/zinc/85/47/84/221854784.db2.gz URVKSGWQOYZOCS-IBGZPJMESA-N 0 3 373.460 2.758 50 0 FFAAHN Cc1ccc(CN2CCC(CNC(=O)c3n[nH]c4c3CCCC4)CC2)o1 ZINC000096131497 222037218 /nfs/dbraw/zinc/03/72/18/222037218.db2.gz AGZYBERTEMNDDA-UHFFFAOYSA-N 0 3 356.470 2.832 50 0 FFAAHN COCc1noc(CNC(=O)Nc2cccc(CN3CCCC[C@H]3C)c2)n1 ZINC000096151129 222054016 /nfs/dbraw/zinc/05/40/16/222054016.db2.gz AZMCAIMSSAVTOJ-CQSZACIVSA-N 0 3 373.457 2.912 50 0 FFAAHN CCO[C@@H]1C[C@H](NCCNS(=O)(=O)c2ccccc2)C1(CC)CC ZINC000097034472 222154598 /nfs/dbraw/zinc/15/45/98/222154598.db2.gz BENPRZBSBYSQMT-DLBZAZTESA-N 0 3 354.516 2.538 50 0 FFAAHN CNC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000097102620 222159335 /nfs/dbraw/zinc/15/93/35/222159335.db2.gz ANZIPMJPVLJPKV-HIFRSBDPSA-N 0 3 351.878 2.790 50 0 FFAAHN COc1ncccc1NC(=O)c1cccc(CN2[C@@H]3CC[C@H]2C[C@@H](O)C3)c1 ZINC000102506866 222297762 /nfs/dbraw/zinc/29/77/62/222297762.db2.gz RFMNPSKINKMSCJ-PIIMJCKOSA-N 0 3 367.449 2.830 50 0 FFAAHN CCc1ccc([C@H](CNC(=O)CCNC(=O)c2cccs2)N(C)C)cc1 ZINC000032733378 506286887 /nfs/dbraw/zinc/28/68/87/506286887.db2.gz QPNDCRTWZRWDNY-KRWDZBQOSA-N 0 3 373.522 2.850 50 0 FFAAHN CN(C)CCNC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000002782201 506293302 /nfs/dbraw/zinc/29/33/02/506293302.db2.gz GHAGLYDUSZDUQD-UHFFFAOYSA-N 0 3 360.307 2.706 50 0 FFAAHN C[C@H]1C[C@H](C)CN(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000032929497 506314534 /nfs/dbraw/zinc/31/45/34/506314534.db2.gz QWWSCMPFTVIEDV-STQMWFEESA-N 0 3 364.433 2.962 50 0 FFAAHN CCOc1ccc(N2C(=O)C[C@H](NCCc3cccc(OC)c3)C2=O)cc1 ZINC000003864321 506352024 /nfs/dbraw/zinc/35/20/24/506352024.db2.gz ZGDKRMHVGBBXBE-IBGZPJMESA-N 0 3 368.433 2.558 50 0 FFAAHN COc1cc(CN(C[C@@H](O)COCc2ccco2)C2CC2)cc(OC)c1 ZINC000036095105 506397213 /nfs/dbraw/zinc/39/72/13/506397213.db2.gz FJEWEJMDTZKNPQ-QGZVFWFLSA-N 0 3 361.438 2.839 50 0 FFAAHN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(C)C3CCN(C)CC3)c12 ZINC000036616977 506408788 /nfs/dbraw/zinc/40/87/88/506408788.db2.gz ARZIWXFXNYZAJO-UHFFFAOYSA-N 0 3 367.453 2.703 50 0 FFAAHN C[C@@H]1CCCc2sc3nc(SCCN4CCCC4)n(N)c(=O)c3c21 ZINC000036646177 506410437 /nfs/dbraw/zinc/41/04/37/506410437.db2.gz ANYQJRQGGPJYLR-LLVKDONJSA-N 0 3 364.540 2.800 50 0 FFAAHN CCN1CCN(c2ccc(NC(=O)CN3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000007346263 506555170 /nfs/dbraw/zinc/55/51/70/506555170.db2.gz SLCWQNRLCOQURR-HDICACEKSA-N 0 3 358.530 2.745 50 0 FFAAHN O=C(NC[C@H]1CCCO1)c1oc2ccccc2c1CNC[C@@H]1CCCO1 ZINC000008344189 506644562 /nfs/dbraw/zinc/64/45/62/506644562.db2.gz DGGSICPJGRDJAF-LSDHHAIUSA-N 0 3 358.438 2.610 50 0 FFAAHN CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc(CCN2CCCC2)nc1 ZINC000055282815 506718326 /nfs/dbraw/zinc/71/83/26/506718326.db2.gz XGFSEICPJAQWRH-UHFFFAOYSA-N 0 3 369.513 2.752 50 0 FFAAHN CCN(C[C@H]1CCN(C)C1)C(=O)CCC(=O)NC1CCCCCCC1 ZINC000055403065 506743971 /nfs/dbraw/zinc/74/39/71/506743971.db2.gz SFLYOWMWQIJHBX-KRWDZBQOSA-N 0 3 351.535 2.796 50 0 FFAAHN CCC(CC)CN1CCc2nnc([C@@H](C)NC(=O)c3ccco3)n2CC1 ZINC000012003007 506807221 /nfs/dbraw/zinc/80/72/21/506807221.db2.gz HWNHBIAHRNCFDU-CQSZACIVSA-N 0 3 359.474 2.656 50 0 FFAAHN C/C(=C\c1ccco1)CN1CC[C@@]2(C1)CCCN(C(=O)N1CCOCC1)C2 ZINC000067540961 506917658 /nfs/dbraw/zinc/91/76/58/506917658.db2.gz UKIBZNDWRWCOIL-IYYMRFBLSA-N 0 3 373.497 2.923 50 0 FFAAHN Cc1ccc(CN(CCN(C)C)C(=O)Nc2ccc(-n3cncn3)cc2)o1 ZINC000058157985 507376820 /nfs/dbraw/zinc/37/68/20/507376820.db2.gz BUTUTHDBBIALFV-UHFFFAOYSA-N 0 3 368.441 2.764 50 0 FFAAHN COc1cc(CCC(=O)NC2CCN(C)CC2)ccc1OCC(F)(F)F ZINC000058181436 507380744 /nfs/dbraw/zinc/38/07/44/507380744.db2.gz MWQBPHVHTCMPMR-UHFFFAOYSA-N 0 3 374.403 2.779 50 0 FFAAHN CC(=O)c1cccc(S(=O)(=O)NC2CCN(CC3CCCC3)CC2)c1 ZINC000058201261 507383580 /nfs/dbraw/zinc/38/35/80/507383580.db2.gz DFTAYINZRYMQQU-UHFFFAOYSA-N 0 3 364.511 2.822 50 0 FFAAHN Cc1ccc([C@H](CNC(=O)[C@@H](C)NC(=O)c2cccs2)N(C)C)cc1 ZINC000058195640 507383825 /nfs/dbraw/zinc/38/38/25/507383825.db2.gz LWXXNYPMMUJZGE-ZBFHGGJFSA-N 0 3 359.495 2.594 50 0 FFAAHN CCN1CCC(NC(=O)COc2ccc(Br)cc2F)CC1 ZINC000024831557 507442202 /nfs/dbraw/zinc/44/22/02/507442202.db2.gz ADSPHSMWBBLBRR-UHFFFAOYSA-N 0 3 359.239 2.568 50 0 FFAAHN CC(C)NC(=O)CC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCCC1 ZINC000024843297 507443850 /nfs/dbraw/zinc/44/38/50/507443850.db2.gz BNRFZYXERUUYQL-IBGZPJMESA-N 0 3 371.525 2.852 50 0 FFAAHN CCN1CCc2c(cccc2-n2nnc(C(=O)N[C@H](C)C(C)C)c2C)C1 ZINC000069565099 507517880 /nfs/dbraw/zinc/51/78/80/507517880.db2.gz UKCDTUBPOTZIHG-CQSZACIVSA-N 0 3 355.486 2.728 50 0 FFAAHN CC(C)Nc1ncc(C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)cn1 ZINC000072137155 507755458 /nfs/dbraw/zinc/75/54/58/507755458.db2.gz XZQKTBBSERKKCJ-IBGZPJMESA-N 0 3 367.497 2.734 50 0 FFAAHN CN(C[C@@H]1CCCN1C)c1nc(CCc2ccccc2)nc2c1cnn2C ZINC000072152911 507761439 /nfs/dbraw/zinc/76/14/39/507761439.db2.gz IYLNHQKVKMYOAC-KRWDZBQOSA-N 0 3 364.497 2.679 50 0 FFAAHN c1coc(-c2nc(CN(Cc3cccnc3)[C@H]3CN4CCC3CC4)no2)c1 ZINC000072154963 507763427 /nfs/dbraw/zinc/76/34/27/507763427.db2.gz UVKHMYIDRATBSH-KRWDZBQOSA-N 0 3 365.437 2.821 50 0 FFAAHN CN(CCc1ccccc1)C1(C(=O)NCc2ncc[nH]2)Cc2ccccc2C1 ZINC000072165747 507766707 /nfs/dbraw/zinc/76/67/07/507766707.db2.gz SESFMFUYBGAEAR-UHFFFAOYSA-N 0 3 374.488 2.738 50 0 FFAAHN CC(C)(O)CCc1ccc(CN2CCCO[C@H](Cn3cccn3)C2)cc1 ZINC000072409919 507785464 /nfs/dbraw/zinc/78/54/64/507785464.db2.gz PLXRQJKTRZTTNZ-FQEVSTJZSA-N 0 3 357.498 2.878 50 0 FFAAHN Cc1ncc2c(c1CNC(=O)[C@@H](C)Oc1cccc(Cl)c1)CCNC2 ZINC000072426557 507788459 /nfs/dbraw/zinc/78/84/59/507788459.db2.gz LUAFIFFXVGVCQU-CYBMUJFWSA-N 0 3 359.857 2.773 50 0 FFAAHN CCc1nnc(CN2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)o1 ZINC000072426770 507789060 /nfs/dbraw/zinc/78/90/60/507789060.db2.gz GEMVJSWYEFGDPF-PWIZWCRZSA-N 0 3 356.445 2.833 50 0 FFAAHN CSCCN1CCC(NC(=O)c2cccc(CCC(C)(C)O)c2)CC1 ZINC000072453555 507793179 /nfs/dbraw/zinc/79/31/79/507793179.db2.gz LAXAJIQWEPHBHF-UHFFFAOYSA-N 0 3 364.555 2.947 50 0 FFAAHN Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000072475247 507795276 /nfs/dbraw/zinc/79/52/76/507795276.db2.gz QQFOAFCEZCZSRA-QGZVFWFLSA-N 0 3 354.502 2.576 50 0 FFAAHN Cc1cc2nc(-c3ccccc3)cc(NCCCN3CCN(C)CC3)n2n1 ZINC000072477030 507796082 /nfs/dbraw/zinc/79/60/82/507796082.db2.gz ATQLKDLLVZCYCY-UHFFFAOYSA-N 0 3 364.497 2.754 50 0 FFAAHN COc1cccc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000030000105 507799747 /nfs/dbraw/zinc/79/97/47/507799747.db2.gz RHVAZNIUJSESKW-OAQYLSRUSA-N 0 3 367.493 2.804 50 0 FFAAHN O=C(CCc1ccc(Cl)cc1Cl)N1C[C@@H](N2CCCC2)[C@@H](O)C1 ZINC000089768395 507863857 /nfs/dbraw/zinc/86/38/57/507863857.db2.gz VJMCQIDUVOAYOA-CVEARBPZSA-N 0 3 357.281 2.594 50 0 FFAAHN CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccccc1OCCO ZINC000079067011 507930070 /nfs/dbraw/zinc/93/00/70/507930070.db2.gz JUWIMYQBDIDMHH-UHFFFAOYSA-N 0 3 368.433 2.796 50 0 FFAAHN C[C@H]1C[C@H](NCCS(=O)(=O)c2ccccc2)CN1Cc1ccccc1 ZINC000079100140 507933283 /nfs/dbraw/zinc/93/32/83/507933283.db2.gz HAXJBODUNAQNBR-HKUYNNGSSA-N 0 3 358.507 2.713 50 0 FFAAHN C[C@@H](C(=O)N1CCC2(CCC(=O)N(CCN(C)C)C2)CC1)c1ccccc1 ZINC000091365137 507982350 /nfs/dbraw/zinc/98/23/50/507982350.db2.gz ANGYOVFGLDSGBS-GOSISDBHSA-N 0 3 371.525 2.583 50 0 FFAAHN COc1ccnc(CN2C[C@H]3CC[C@@H]2CN(Cc2c(C)noc2C)C3)c1 ZINC000091574729 507993366 /nfs/dbraw/zinc/99/33/66/507993366.db2.gz OUMVOVQBNMLCRG-FUHWJXTLSA-N 0 3 356.470 2.791 50 0 FFAAHN CCCn1ncc(CN2CCC3(CC2)c2[nH]cnc2CCN3CC)c1C ZINC000091746348 508007479 /nfs/dbraw/zinc/00/74/79/508007479.db2.gz UHKISFFOUSRJKW-UHFFFAOYSA-N 0 3 356.518 2.694 50 0 FFAAHN Cc1nn(C)cc1CN1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000091915220 508024583 /nfs/dbraw/zinc/02/45/83/508024583.db2.gz CKQYUJSNXIMMRI-NRFANRHFSA-N 0 3 367.497 2.528 50 0 FFAAHN CN(C(=O)CN1CC[C@]2(C1)CCCN(CC1CCC1)C2=O)c1ccccc1 ZINC000092062224 508038592 /nfs/dbraw/zinc/03/85/92/508038592.db2.gz REJDLXOBGAWDEM-QFIPXVFZSA-N 0 3 369.509 2.764 50 0 FFAAHN Cc1ccsc1[C@@H](CNC(=O)c1cnc(C(C)(C)C)[n-]c1=O)[NH+](C)C ZINC000092062441 508038964 /nfs/dbraw/zinc/03/89/64/508038964.db2.gz PHEUGDIYOLSMQC-CYBMUJFWSA-N 0 3 362.499 2.882 50 0 FFAAHN O=c1cc(CN2C[C@H]3CC[C@H](CN3Cc3ccccc3)C2)nc2ccccn12 ZINC000095355932 508174573 /nfs/dbraw/zinc/17/45/73/508174573.db2.gz SHTQTYOTRIEOQJ-PZJWPPBQSA-N 0 3 374.488 2.791 50 0 FFAAHN O=C(NCc1nc(-c2ccccc2)no1)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000095354566 508174848 /nfs/dbraw/zinc/17/48/48/508174848.db2.gz AWMABKLCOSODBK-MRXNPFEDSA-N 0 3 366.421 2.858 50 0 FFAAHN CCOCCN1CCC2(CC(=O)N(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000095378802 508180258 /nfs/dbraw/zinc/18/02/58/508180258.db2.gz QJKUDVRYACCANA-UHFFFAOYSA-N 0 3 352.425 2.816 50 0 FFAAHN CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cccc(OCc3ccccn3)c1)C2 ZINC000095383537 508182329 /nfs/dbraw/zinc/18/23/29/508182329.db2.gz YHQUGQAUMITEEE-PKOBYXMFSA-N 0 3 351.450 2.713 50 0 FFAAHN CC(C)[C@@H]1CN(Cc2ccc(-c3cc[nH]n3)s2)C[C@H]1NC(=O)N(C)C ZINC000095386073 508182735 /nfs/dbraw/zinc/18/27/35/508182735.db2.gz NYEOJLYEGNCLMI-GOEBONIOSA-N 0 3 361.515 2.866 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)c3cccc(N(C)C)c3)C[C@H]2N(C)C)cc1 ZINC000095499977 508190406 /nfs/dbraw/zinc/19/04/06/508190406.db2.gz HQCFEFPLVGAVGB-LEWJYISDSA-N 0 3 367.493 2.931 50 0 FFAAHN C[C@H](C1CCN(C(=O)c2ccc(Cl)cc2F)CC1)N1CCN(C)CC1 ZINC000082115375 508226406 /nfs/dbraw/zinc/22/64/06/508226406.db2.gz GNHQHQVCCYRXNI-CQSZACIVSA-N 0 3 367.896 2.967 50 0 FFAAHN CC(C)CCN1CC2(CCN(C(=O)[C@@H]3CCCCCN3C)CC2)OC1=O ZINC000077407761 508312442 /nfs/dbraw/zinc/31/24/42/508312442.db2.gz YXGPNZLKSSKEQM-KRWDZBQOSA-N 0 3 365.518 2.720 50 0 FFAAHN c1cc(CN2CCSCC2)cc(OCCCCN2CCOCC2)c1 ZINC000215317971 509246671 /nfs/dbraw/zinc/24/66/71/509246671.db2.gz BYKUDDCUCDNXHI-UHFFFAOYSA-N 0 3 350.528 2.727 50 0 FFAAHN c1ccc2c(c1)CCN(Cc1cccc(OCCN3CCOCC3)c1)C2 ZINC000223072362 509328719 /nfs/dbraw/zinc/32/87/19/509328719.db2.gz PYUJDCSMKUUNAS-UHFFFAOYSA-N 0 3 352.478 2.956 50 0 FFAAHN C[C@@H]1CN(C[C@H]2CCCN2Cc2cc(F)cc3c2OCOC3)C[C@@H](C)O1 ZINC000229780590 509428668 /nfs/dbraw/zinc/42/86/68/509428668.db2.gz CQWAJYFDXVJSGK-SPYBWZPUSA-N 0 3 364.461 2.766 50 0 FFAAHN CCn1ccc2c1cccc2CN1CCN(C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000230181410 509433669 /nfs/dbraw/zinc/43/36/69/509433669.db2.gz WUSWTQVHVSGHIA-JOCHJYFZSA-N 0 3 368.525 2.790 50 0 FFAAHN O=C(NC1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)CC1)C1CC1 ZINC000179913708 509671419 /nfs/dbraw/zinc/67/14/19/509671419.db2.gz FNJJRBLSQMJLFQ-HXUWFJFHSA-N 0 3 358.482 2.735 50 0 FFAAHN CC1(C)CN(CC(=O)NC2CCN(C3CC3)CC2)CC[C@@H]1C(F)(F)F ZINC000252503672 509846020 /nfs/dbraw/zinc/84/60/20/509846020.db2.gz VFMNFXOMACHJRD-HNNXBMFYSA-N 0 3 361.452 2.640 50 0 FFAAHN O=C(CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)NC(=O)NC1CCCCC1 ZINC000252550360 509852965 /nfs/dbraw/zinc/85/29/65/509852965.db2.gz SLRKJCSCQFDPJA-KZNAEPCWSA-N 0 3 365.518 2.551 50 0 FFAAHN CCc1nnc(NC(=O)CCN(C)Cc2cc(C(C)(C)C)[nH]n2)s1 ZINC000244691889 509862973 /nfs/dbraw/zinc/86/29/73/509862973.db2.gz JKVQRZROAKBULN-UHFFFAOYSA-N 0 3 350.492 2.582 50 0 FFAAHN Cc1ccc(CN2C[C@H]([C@H](C)OC(C)(C)C)NC[C@H]2[C@H](C)O)cc1F ZINC000245204394 509885103 /nfs/dbraw/zinc/88/51/03/509885103.db2.gz AOETUOPIFXUJJP-SAKMYQHLSA-N 0 3 352.494 2.861 50 0 FFAAHN CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCC[C@@H]4CCCC[C@H]43)C2=O)cc1 ZINC000245380471 509886583 /nfs/dbraw/zinc/88/65/83/509886583.db2.gz ZPZXBSYRQXXUMN-IPELMVKDSA-N 0 3 369.465 2.932 50 0 FFAAHN CCc1nc(C2CCN(CC(=O)N(CC)Cc3cccc(F)c3)CC2)n[nH]1 ZINC000190660029 510267540 /nfs/dbraw/zinc/26/75/40/510267540.db2.gz JWSQBGQMAHLQHW-UHFFFAOYSA-N 0 3 373.476 2.734 50 0 FFAAHN CCc1n[nH]c(C2CCN(CC(=O)N(CC)Cc3cccc(F)c3)CC2)n1 ZINC000190660029 510267548 /nfs/dbraw/zinc/26/75/48/510267548.db2.gz JWSQBGQMAHLQHW-UHFFFAOYSA-N 0 3 373.476 2.734 50 0 FFAAHN CCc1nnc(C2CCN(CC(=O)N(CC)Cc3cccc(F)c3)CC2)[nH]1 ZINC000190660029 510267557 /nfs/dbraw/zinc/26/75/57/510267557.db2.gz JWSQBGQMAHLQHW-UHFFFAOYSA-N 0 3 373.476 2.734 50 0 FFAAHN Cc1nccn1CCCSc1nnc([C@H](N)Cc2ccccc2)n1C ZINC000426395121 513927653 /nfs/dbraw/zinc/92/76/53/513927653.db2.gz FCPDMFPSHMXLNX-MRXNPFEDSA-N 0 3 356.499 2.745 50 0 FFAAHN Cc1n[nH]cc1CN(C)C(=O)NCCN1CCC[C@H](c2ccccc2)C1 ZINC000426440351 513942619 /nfs/dbraw/zinc/94/26/19/513942619.db2.gz SAZZLMXKGINMIK-SFHVURJKSA-N 0 3 355.486 2.739 50 0 FFAAHN OCCn1ccc([C@@H]2CCCN(Cc3cc(-c4ccccc4)no3)C2)n1 ZINC000426562843 513981857 /nfs/dbraw/zinc/98/18/57/513981857.db2.gz GSKZLBXRLUGPBX-QGZVFWFLSA-N 0 3 352.438 2.910 50 0 FFAAHN COCC[N@@H+]1CC[C@H](CNC(=O)c2cccc(-c3ccc([O-])cc3F)c2)C1 ZINC000426618626 513997016 /nfs/dbraw/zinc/99/70/16/513997016.db2.gz ZNCBXOOFMWFYCS-OAHLLOKOSA-N 0 3 372.440 2.896 50 0 FFAAHN COCC[N@H+]1CC[C@H](CNC(=O)c2cccc(-c3ccc([O-])cc3F)c2)C1 ZINC000426618626 513997022 /nfs/dbraw/zinc/99/70/22/513997022.db2.gz ZNCBXOOFMWFYCS-OAHLLOKOSA-N 0 3 372.440 2.896 50 0 FFAAHN CN(Cc1nc(-c2ccccn2)no1)C(=O)NC(C)(C)CN1CCCCC1 ZINC000426624909 513999422 /nfs/dbraw/zinc/99/94/22/513999422.db2.gz XDMTXYKNSCKLNZ-UHFFFAOYSA-N 0 3 372.473 2.538 50 0 FFAAHN O=C(c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000426697297 514017848 /nfs/dbraw/zinc/01/78/48/514017848.db2.gz HLWOHYRCDFWLLK-MOPGFXCFSA-N 0 3 374.448 2.500 50 0 FFAAHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NC1(c2cc(F)cc(F)c2)CC1 ZINC000584887992 518524164 /nfs/dbraw/zinc/52/41/64/518524164.db2.gz JSPQJVBHNAYNJG-QGZVFWFLSA-N 0 3 367.440 2.706 50 0 FFAAHN CC(C)c1noc(C2CCN(C(=O)N[C@H]3CCN(C(C)(C)C)C3)CC2)n1 ZINC000584893824 518526793 /nfs/dbraw/zinc/52/67/93/518526793.db2.gz QHQLULVCMHMBIV-HNNXBMFYSA-N 0 3 363.506 2.955 50 0 FFAAHN CC(C)n1ncnc1-c1cccc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1 ZINC000584904034 518531655 /nfs/dbraw/zinc/53/16/55/518531655.db2.gz MCNLDSAZPLFGMQ-ZWKOTPCHSA-N 0 3 353.470 2.835 50 0 FFAAHN CCNc1ncc(C(=O)NCCN2CCC[C@H](c3ccccc3)C2)cn1 ZINC000091706542 520365606 /nfs/dbraw/zinc/36/56/06/520365606.db2.gz QGICJWVCGOYMJN-KRWDZBQOSA-N 0 3 353.470 2.518 50 0 FFAAHN COc1cc(C)ccc1C(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 ZINC000082134884 522254564 /nfs/dbraw/zinc/25/45/64/522254564.db2.gz GNPWUFCOLNPNQD-UHFFFAOYSA-N 0 3 370.497 2.992 50 0 FFAAHN Cc1ccc(N2CCC(NCc3cc4n(n3)CCNC4)CC2)cc1Cl ZINC000082160714 524941543 /nfs/dbraw/zinc/94/15/43/524941543.db2.gz CPMPBZDPOQRAKJ-UHFFFAOYSA-N 0 3 359.905 2.707 50 0 FFAAHN Cc1cc(NCc2cc3n(n2)CCCN(CC(C)C)C3)nc(N(C)C)n1 ZINC000082098260 525276998 /nfs/dbraw/zinc/27/69/98/525276998.db2.gz KOIRGHHFSIQBCX-UHFFFAOYSA-N 0 3 357.506 2.521 50 0 FFAAHN Cc1ccc(OCC(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)cc1 ZINC000082099342 525389189 /nfs/dbraw/zinc/38/91/89/525389189.db2.gz LIIFJFJUYZACMA-UHFFFAOYSA-N 0 3 370.497 2.748 50 0 FFAAHN Cc1ccn(Cc2nc(CCc3ccccc3)nn2C2CCN(C)CC2)n1 ZINC000091288903 525605177 /nfs/dbraw/zinc/60/51/77/525605177.db2.gz UZMZLHZROIMQIY-UHFFFAOYSA-N 0 3 364.497 2.883 50 0 FFAAHN COc1cccc(CCC(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)c1 ZINC000072474745 525878532 /nfs/dbraw/zinc/87/85/32/525878532.db2.gz IAQLHEXYYNHBTF-QGZVFWFLSA-N 0 3 360.498 2.587 50 0 FFAAHN CC(C)[NH2+]Cc1cc(=O)n2nc(NCc3ccc(C(C)C)cc3)[n-]c2n1 ZINC000101796806 570823810 /nfs/dbraw/zinc/82/38/10/570823810.db2.gz IBEMDEJYQAUEFA-UHFFFAOYSA-N 0 3 354.458 2.651 50 0 FFAAHN Cc1ccc(-c2noc(CCCN3CCC4(CC3)OCCO4)n2)cc1F ZINC000045750127 570911592 /nfs/dbraw/zinc/91/15/92/570911592.db2.gz OZKWJXGBTFSDCQ-UHFFFAOYSA-N 0 3 361.417 2.956 50 0 FFAAHN O=C(CSc1ccncc1)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000012431037 727813548 /nfs/dbraw/zinc/81/35/48/727813548.db2.gz LQQVJQIGUHCVKK-GOSISDBHSA-N 0 3 355.507 2.997 50 0 FFAAHN COc1ccc(C2(C(=O)N(CCN3CCCC3)C3CCOCC3)CC2)cc1 ZINC000675022606 971501816 /nfs/dbraw/zinc/50/18/16/971501816.db2.gz QHJXYXHKGPQTEG-UHFFFAOYSA-N 0 3 372.509 2.830 50 0 FFAAHN CCOc1ccccc1CN(C)[C@H]1CCc2nn(CC3CC3)c(=O)n2CC1 ZINC000169784027 984964264 /nfs/dbraw/zinc/96/42/64/984964264.db2.gz DMDNPYAVLHUSRA-SFHVURJKSA-N 0 3 370.497 2.690 50 0 FFAAHN CCC[C@@H]1CN(c2ncnc3cc(F)c(OC)cc32)CCN1CCOC ZINC000186276899 985847897 /nfs/dbraw/zinc/84/78/97/985847897.db2.gz DVSYDAMAUGJXDG-CQSZACIVSA-N 0 3 362.449 2.715 50 0 FFAAHN c1ccc(-c2nc3c(c(N4CCN(C5CCOCC5)CC4)n2)CCC3)cc1 ZINC000012590250 988334385 /nfs/dbraw/zinc/33/43/85/988334385.db2.gz QDTKANUVUQDOAY-UHFFFAOYSA-N 0 3 364.493 2.933 50 0 FFAAHN Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)CN2CCCN(C)CC2)c1 ZINC000823778365 999078102 /nfs/dbraw/zinc/07/81/02/999078102.db2.gz MVWYARFEOUESCT-UHFFFAOYSA-N 0 3 372.513 2.700 50 0 FFAAHN COc1ccc(Cc2nc([C@]3(C)CCN(C)C3)n(-c3ccncc3)n2)cc1 ZINC000824674419 999245847 /nfs/dbraw/zinc/24/58/47/999245847.db2.gz CTPOHMNQFDBYHT-OAQYLSRUSA-N 0 3 363.465 2.855 50 0 FFAAHN COc1ccccc1-c1ccc(C(=O)NCCN2CCC[C@@H](CO)C2)cc1 ZINC000828711198 999579531 /nfs/dbraw/zinc/57/95/31/999579531.db2.gz PPUMEHJBNYCDNG-QGZVFWFLSA-N 0 3 368.477 2.796 50 0 FFAAHN O=C(c1ccncc1)N1CC(N(Cc2ccccc2)C2CCOCC2)C1 ZINC000581794868 999946832 /nfs/dbraw/zinc/94/68/32/999946832.db2.gz WAGUQQYPGYRXRG-UHFFFAOYSA-N 0 3 351.450 2.587 50 0 FFAAHN CO[C@@H]1C(=O)N(c2cccc(F)c2)C12CCN(Cc1ccc(O)cc1)CC2 ZINC000581803767 999947605 /nfs/dbraw/zinc/94/76/05/999947605.db2.gz YDUSGMLWLXSIKB-LJQANCHMSA-N 0 3 370.424 2.928 50 0 FFAAHN O=C(NCCN1CCCCC1)c1c2n(c(=O)cc1-c1ccccc1)CCC2 ZINC000581819352 999949621 /nfs/dbraw/zinc/94/96/21/999949621.db2.gz DVWIHQQVJXXYAX-UHFFFAOYSA-N 0 3 365.477 2.677 50 0 FFAAHN c1ccc(C23CN4CC(CN(C2)CC4)[C@@H]3Nc2ncnc3ccccc32)cc1 ZINC000952969238 1011015872 /nfs/dbraw/zinc/01/58/72/1011015872.db2.gz SSGXHAQBRJPMCL-QKTWPWEVSA-N 0 3 371.488 2.609 50 0 FFAAHN C[C@@H](CN(C)Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1)N1CCOCC1 ZINC000952975401 1011018330 /nfs/dbraw/zinc/01/83/30/1011018330.db2.gz NIFNAUYLJQLUTL-HNNXBMFYSA-N 0 3 370.449 2.770 50 0 FFAAHN CN(C)Cc1ccc(N2CCN(C(=O)c3cccc4c3CCC4)CC2)nc1 ZINC000114415105 1011454298 /nfs/dbraw/zinc/45/42/98/1011454298.db2.gz IXZODBPLUIXGHC-UHFFFAOYSA-N 0 3 364.493 2.594 50 0 FFAAHN Cc1cc(C)c2[nH]c(=O)c(CN3CCC[C@H](N4CCCC4=O)C3)cc2c1 ZINC000071760684 1019682212 /nfs/dbraw/zinc/68/22/12/1019682212.db2.gz QYFSNVKPPLASKV-SFHVURJKSA-N 0 3 353.466 2.732 50 0 FFAAHN CN1CCN(CCCNC(=O)CCc2ccncc2)[C@@H](c2ccccc2)C1 ZINC000229519369 210177815 /nfs/dbraw/zinc/17/78/15/210177815.db2.gz SNBQAVIVQMWBIP-OAQYLSRUSA-N 0 3 366.509 2.509 50 0 FFAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000299797311 210038227 /nfs/dbraw/zinc/03/82/27/210038227.db2.gz PSKFVHSEQCMJIJ-IRXDYDNUSA-N 0 3 350.890 2.986 50 0 FFAAHN COc1ccc(-n2cc([C@@H](C)NC(=O)CN(C)C3CCCC3)cn2)cc1 ZINC000299780866 210025292 /nfs/dbraw/zinc/02/52/92/210025292.db2.gz CKSSYRCLCUANIT-OAHLLOKOSA-N 0 3 356.470 2.933 50 0 FFAAHN O=C(Nc1ccc(-c2cc[nH]n2)cc1)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000299755952 210009767 /nfs/dbraw/zinc/00/97/67/210009767.db2.gz GPCYPOFGDJBRBF-GOSISDBHSA-N 0 3 369.469 2.842 50 0 FFAAHN Cn1cc(CN2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)cn1 ZINC000012707980 220019955 /nfs/dbraw/zinc/01/99/55/220019955.db2.gz HUIGJTSFDVHXNO-UHFFFAOYSA-N 0 3 358.461 2.868 50 0 FFAAHN CCN(CC)[C@H](CNc1ncnc2c1cnn2C)c1cccc(OC)c1 ZINC000022079224 211337619 /nfs/dbraw/zinc/33/76/19/211337619.db2.gz DSPYTUOHJMHOSD-QGZVFWFLSA-N 0 3 354.458 2.867 50 0 FFAAHN COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000020518255 211285889 /nfs/dbraw/zinc/28/58/89/211285889.db2.gz NYZIYAWFNPFJNT-LJQANCHMSA-N 0 3 371.481 2.960 50 0 FFAAHN CCOc1ccc(N2C(=O)C[C@@H](NCCc3ccc(OC)cc3)C2=O)cc1 ZINC000019533494 211231249 /nfs/dbraw/zinc/23/12/49/211231249.db2.gz ICGPJYQGMGIENK-LJQANCHMSA-N 0 3 368.433 2.558 50 0 FFAAHN Cc1ncc(CN2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)cn1 ZINC000015070592 211118748 /nfs/dbraw/zinc/11/87/48/211118748.db2.gz CPDCAEMVZKKQGQ-OAQYLSRUSA-N 0 3 368.456 2.939 50 0 FFAAHN CSCCN1C(=O)CC[C@@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000015069475 211116862 /nfs/dbraw/zinc/11/68/62/211116862.db2.gz PUVBSBLTFKJBQZ-CYBMUJFWSA-N 0 3 370.902 2.902 50 0 FFAAHN COc1ccc(-c2noc(-c3ccc(N(C)[C@@H]4CCN(C)C4)nc3)n2)cc1 ZINC000014969574 211108559 /nfs/dbraw/zinc/10/85/59/211108559.db2.gz YNMXLXBIDOKTCW-MRXNPFEDSA-N 0 3 365.437 2.948 50 0 FFAAHN O=C(CCN1CCCCCC1=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000014954677 211106603 /nfs/dbraw/zinc/10/66/03/211106603.db2.gz CAYAAKWRSIFZFR-HXUWFJFHSA-N 0 3 371.525 2.602 50 0 FFAAHN COc1ccc(CN2CCC3(CC2)C(=O)N(C)C(=O)N3CC(C)C)cc1C ZINC000014530774 211094630 /nfs/dbraw/zinc/09/46/30/211094630.db2.gz GAGHIYWFRQQBNX-UHFFFAOYSA-N 0 3 373.497 2.888 50 0 FFAAHN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCN1CCCCC1 ZINC000013473135 211035487 /nfs/dbraw/zinc/03/54/87/211035487.db2.gz DTADGWKJEOSJTP-UHFFFAOYSA-N 0 3 363.461 2.968 50 0 FFAAHN COc1ccc(CN[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000012913391 211007535 /nfs/dbraw/zinc/00/75/35/211007535.db2.gz NGKXRQYYEKYXIH-SFHVURJKSA-N 0 3 367.493 2.518 50 0 FFAAHN CN(C)Cc1ccc(-c2ccccc2CNc2ccc3nnnn3n2)cc1 ZINC000012909434 211004874 /nfs/dbraw/zinc/00/48/74/211004874.db2.gz SQTMOBWDMYZNLU-UHFFFAOYSA-N 0 3 359.437 2.860 50 0 FFAAHN CCN1CCC(NC(=O)NCc2cc(Br)ccc2OC)CC1 ZINC000050134801 221030510 /nfs/dbraw/zinc/03/05/10/221030510.db2.gz ONNYIZJOAHZCCZ-UHFFFAOYSA-N 0 3 370.291 2.741 50 0 FFAAHN CC(C)[C@H]1C[C@@H](C(=O)NCc2ccccc2)[C@@]2(N1)c1ccccc1NC2=O ZINC000062001600 221137976 /nfs/dbraw/zinc/13/79/76/221137976.db2.gz BENFUVMBZROWIC-KPLVRAHFSA-N 0 3 363.461 2.785 50 0 biogenic FFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cn2c(n1)CSCC2 ZINC000065231636 221182275 /nfs/dbraw/zinc/18/22/75/221182275.db2.gz SCCUPIJGFVBMGI-UHFFFAOYSA-N 0 3 356.495 2.524 50 0 FFAAHN Cc1cc(C)nc(NC(=O)c2cccc(CN3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000065406418 221214558 /nfs/dbraw/zinc/21/45/58/221214558.db2.gz GTXCIAHOFWWYNZ-SFHVURJKSA-N 0 3 366.465 2.648 50 0 FFAAHN CC(C)c1ccc(NC(=O)CCN2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000065526937 221230022 /nfs/dbraw/zinc/23/00/22/221230022.db2.gz KAESTLIXYXRLCG-HXUWFJFHSA-N 0 3 359.514 2.935 50 0 FFAAHN CN1CCC[C@@H]1CNC(=O)CCCOc1cccc(Br)c1 ZINC000065590734 221235050 /nfs/dbraw/zinc/23/50/50/221235050.db2.gz RAIUBGFOIJZJGW-CQSZACIVSA-N 0 3 355.276 2.819 50 0 FFAAHN O=C1N(CCc2ccccc2)CCC[C@@]1(O)CNCc1cccc(F)c1 ZINC000067605138 221262674 /nfs/dbraw/zinc/26/26/74/221262674.db2.gz RMQHILQNADZTTE-OAQYLSRUSA-N 0 3 356.441 2.512 50 0 FFAAHN CCN1C[C@@H](CN(C)Cc2cnc3c(-c4ccccc4)cnn3c2)CC1=O ZINC000067954796 221308587 /nfs/dbraw/zinc/30/85/87/221308587.db2.gz GTBDDLUKJVXDLC-MRXNPFEDSA-N 0 3 363.465 2.697 50 0 FFAAHN CCC(=O)OC1(c2ccccc2)CCN(CC[C@@H]2CN(C)C(=O)O2)CC1 ZINC000071769283 221374121 /nfs/dbraw/zinc/37/41/21/221374121.db2.gz AEVSRSRNYPRNHS-QGZVFWFLSA-N 0 3 360.454 2.772 50 0 FFAAHN CN(C)CCn1c2cc(NC(=O)CSC(C)(C)C)ccc2oc1=O ZINC000072048301 221399042 /nfs/dbraw/zinc/39/90/42/221399042.db2.gz IYHUTQUCVJRVMO-UHFFFAOYSA-N 0 3 351.472 2.626 50 0 FFAAHN Cc1noc2nc(C)nc(N3CCN([C@H]4CCc5ccccc5C4)CC3)c12 ZINC000077542430 132189433 /nfs/dbraw/zinc/18/94/33/132189433.db2.gz RNRYLNOYJWSIES-SFHVURJKSA-N 0 3 363.465 2.914 50 0 FFAAHN Cn1nc(CNC2CCN(c3ncccn3)CC2)c2c1cccc2Cl ZINC000095522962 132214363 /nfs/dbraw/zinc/21/43/63/132214363.db2.gz FLKZOAVFUOGOKT-UHFFFAOYSA-N 0 3 356.861 2.775 50 0 FFAAHN CCCc1cc(N2CCC(NCc3cnc(SC)n3C)CC2)nc(C)n1 ZINC000096150903 132220776 /nfs/dbraw/zinc/22/07/76/132220776.db2.gz FMGZXNMUJFPWIJ-UHFFFAOYSA-N 0 3 374.558 2.952 50 0 FFAAHN COc1ccccc1N1CCN(C2CCN(Cc3cccnc3)CC2)CC1 ZINC000001166424 132380671 /nfs/dbraw/zinc/38/06/71/132380671.db2.gz KQXCMHLGUGQIIO-UHFFFAOYSA-N 0 3 366.509 2.877 50 0 FFAAHN COc1cc(OC)c(C2=CCN(c3cc(C)nc(N)n3)CC2)c(OC)c1 ZINC000043533914 136121370 /nfs/dbraw/zinc/12/13/70/136121370.db2.gz COSDBVCWOXTLHV-UHFFFAOYSA-N 0 3 356.426 2.687 50 0 FFAAHN O=C(NCc1ccco1)c1cc(N2CCN[C@H](c3ccccc3)C2)ccn1 ZINC000071759031 136140519 /nfs/dbraw/zinc/14/05/19/136140519.db2.gz WVSFHFNSSMORIH-FQEVSTJZSA-N 0 3 362.433 2.756 50 0 FFAAHN O=C(Nc1ccc(-n2ccnc2)cc1)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000096131712 222036529 /nfs/dbraw/zinc/03/65/29/222036529.db2.gz DHUOHRZIUPYAOM-IBGZPJMESA-N 0 3 369.469 2.637 50 0 FFAAHN Cc1[nH]c(=O)c(C(=O)NCCN2CC[C@@H](c3ccccc3)C2)c(C)c1Cl ZINC000097413382 222180338 /nfs/dbraw/zinc/18/03/38/222180338.db2.gz GVZRATNYNJATPM-MRXNPFEDSA-N 0 3 373.884 2.864 50 0 FFAAHN Cn1c(CO)nnc1C1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000097775506 222211401 /nfs/dbraw/zinc/21/14/01/222211401.db2.gz KZYIDJCQEAFTPM-UHFFFAOYSA-N 0 3 369.494 2.811 50 0 FFAAHN CN1CCN(CCCC(F)(F)F)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000107411291 222394482 /nfs/dbraw/zinc/39/44/82/222394482.db2.gz MTBCRVYOTIDZBT-QGZVFWFLSA-N 0 3 361.452 2.738 50 0 FFAAHN CN1CCN(Cc2cc(F)ccc2C(F)(F)F)C[C@@]12CCNC(=O)CC2 ZINC000107407176 222394973 /nfs/dbraw/zinc/39/49/73/222394973.db2.gz UYWBVYRBDKIIRV-QGZVFWFLSA-N 0 3 373.394 2.631 50 0 FFAAHN C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000032731293 506286876 /nfs/dbraw/zinc/28/68/76/506286876.db2.gz MHKAWSKLQRQHSX-QFBILLFUSA-N 0 3 369.465 2.720 50 0 FFAAHN CN(CC(=O)NCCc1ccc(Cl)cc1Cl)C1CCN(C)CC1 ZINC000002655704 506287002 /nfs/dbraw/zinc/28/70/02/506287002.db2.gz MMWMQJDXYYTNBV-UHFFFAOYSA-N 0 3 358.313 2.678 50 0 FFAAHN Cc1ccccc1CC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000032827694 506299744 /nfs/dbraw/zinc/29/97/44/506299744.db2.gz GGKRJKWYOYIGDM-UHFFFAOYSA-N 0 3 365.521 2.862 50 0 FFAAHN Cn1nnnc1SCCNCc1ccccc1OCc1ccc(F)cc1 ZINC000002885286 506300011 /nfs/dbraw/zinc/30/00/11/506300011.db2.gz UZDHHHBPUMWJBN-UHFFFAOYSA-N 0 3 373.457 2.810 50 0 FFAAHN CCN(CC)[C@H](CNC(=O)[C@@H]1CCCN(C(C)=O)C1)c1ccsc1 ZINC000032915211 506311441 /nfs/dbraw/zinc/31/14/41/506311441.db2.gz LVAOUCHDKOREOD-NVXWUHKLSA-N 0 3 351.516 2.506 50 0 FFAAHN COc1cc(OC)c(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1OC ZINC000003289132 506318391 /nfs/dbraw/zinc/31/83/91/506318391.db2.gz TWLTYPBHZPWBPR-INIZCTEOSA-N 0 3 358.438 2.745 50 0 FFAAHN COc1ccc(N2C(=O)C[C@@H](NCCc3ccc(Cl)cc3)C2=O)cc1 ZINC000004535379 506380837 /nfs/dbraw/zinc/38/08/37/506380837.db2.gz MBXXEZUYTNFOFM-QGZVFWFLSA-N 0 3 358.825 2.813 50 0 FFAAHN COc1cc(C(=O)NC[C@@H](C)N2CCC(C)CC2)cc(OC)c1OC ZINC000036077770 506394693 /nfs/dbraw/zinc/39/46/93/506394693.db2.gz SUCHGXPWHRNLPU-CQSZACIVSA-N 0 3 350.459 2.563 50 0 FFAAHN CCNc1cc(NCCNC(=O)Nc2ccc(OC)cc2C)nc(C)n1 ZINC000036708109 506414183 /nfs/dbraw/zinc/41/41/83/506414183.db2.gz FQAIBJBMLUKUBF-UHFFFAOYSA-N 0 3 358.446 2.767 50 0 FFAAHN C[C@H](CNC(=O)c1ccc(I)cc1)N1CCCC1 ZINC000040092389 506466536 /nfs/dbraw/zinc/46/65/36/506466536.db2.gz REPFSYCMUBEBJL-LLVKDONJSA-N 0 3 358.223 2.505 50 0 FFAAHN CN(CCCN1C(=O)NC(C)(C)C1=O)Cc1ccc(C(F)(F)F)cc1 ZINC000041625791 506536181 /nfs/dbraw/zinc/53/61/81/506536181.db2.gz DJNVSEMRPQKINC-UHFFFAOYSA-N 0 3 357.376 2.858 50 0 FFAAHN O=C(NC[C@@H](O)CN1CCCCC1)Nc1ccccc1SC(F)F ZINC000043552049 506758767 /nfs/dbraw/zinc/75/87/67/506758767.db2.gz VONULGIIGTZINC-GFCCVEGCSA-N 0 3 359.442 2.970 50 0 FFAAHN Cc1ccc(CNC[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)cc1 ZINC000011662483 506784774 /nfs/dbraw/zinc/78/47/74/506784774.db2.gz QLPIEWMHRXUXER-NRFANRHFSA-N 0 3 374.431 2.917 50 0 FFAAHN CCc1c(C(=O)NC[C@@H]2CCCN(C)C2)nnn1-c1cccc(Cl)c1 ZINC000067306111 506822310 /nfs/dbraw/zinc/82/23/10/506822310.db2.gz IOCSIQPZMVALIA-ZDUSSCGKSA-N 0 3 361.877 2.555 50 0 FFAAHN Cc1cccc(CNC[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)c1 ZINC000012299632 506844797 /nfs/dbraw/zinc/84/47/97/506844797.db2.gz DSEJFAHYCAPUHN-NRFANRHFSA-N 0 3 374.431 2.917 50 0 FFAAHN O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1CC1CC1 ZINC000012331454 506852126 /nfs/dbraw/zinc/85/21/26/506852126.db2.gz BBBAHAUVMPWDTD-AWEZNQCLSA-N 0 3 350.846 2.949 50 0 FFAAHN CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)c1ccnn1C ZINC000012756129 506895385 /nfs/dbraw/zinc/89/53/85/506895385.db2.gz YHRJDYPRTBUIBR-UHFFFAOYSA-N 0 3 358.461 2.586 50 0 FFAAHN NS(=O)(=O)c1ccc(OCCN2CCC[C@@H]2c2ccsc2)cc1 ZINC000046088810 507074268 /nfs/dbraw/zinc/07/42/68/507074268.db2.gz LNFKMLYEOISZMF-MRXNPFEDSA-N 0 3 352.481 2.611 50 0 FFAAHN C[S@](=O)Cc1cccc(C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000046362566 507122535 /nfs/dbraw/zinc/12/25/35/507122535.db2.gz BKXZDYZDOLGNEA-AREMUKBSSA-N 0 3 370.518 2.743 50 0 FFAAHN COc1ccccc1NC(=O)CN1CCCN(Cc2ccccc2)CC1 ZINC000023354970 507346622 /nfs/dbraw/zinc/34/66/22/507346622.db2.gz HPXNHGZVJGIOKH-UHFFFAOYSA-N 0 3 353.466 2.842 50 0 FFAAHN Cc1occc1C(=O)NCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000058185125 507381923 /nfs/dbraw/zinc/38/19/23/507381923.db2.gz WXLYTELXIKKKKI-LJQANCHMSA-N 0 3 369.465 2.580 50 0 FFAAHN C[C@@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)N1CCC[C@H](C)C1 ZINC000058217898 507388768 /nfs/dbraw/zinc/38/87/68/507388768.db2.gz VUYNOIDTMWFSKW-KBPBESRZSA-N 0 3 365.909 2.580 50 0 FFAAHN CN(C)[C@@H](CNCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000025427130 507500474 /nfs/dbraw/zinc/50/04/74/507500474.db2.gz DZSCYPOCASVNBK-BUMILGAPSA-N 0 3 355.526 2.964 50 0 FFAAHN CCN1CCc2c(cccc2-n2nnc(C(=O)NC3CCCC3)c2C)C1 ZINC000069564839 507518850 /nfs/dbraw/zinc/51/88/50/507518850.db2.gz FBRHXGLWTZVHFI-UHFFFAOYSA-N 0 3 353.470 2.626 50 0 FFAAHN Cc1c(C(=O)Nc2ccccc2F)nnn1-c1cccc2c1CCN(C)C2 ZINC000069742510 507548127 /nfs/dbraw/zinc/54/81/27/507548127.db2.gz XXRGKXNYDKLNMJ-UHFFFAOYSA-N 0 3 365.412 2.955 50 0 FFAAHN O=C(CCN1CCOCC1)Nc1cccc(CNCc2ccsc2)c1 ZINC000048778126 507562900 /nfs/dbraw/zinc/56/29/00/507562900.db2.gz KIRBBECIRZSHKQ-UHFFFAOYSA-N 0 3 359.495 2.699 50 0 FFAAHN O=C(CCN1CCOCC1)Nc1cccc(CNCc2cccs2)c1 ZINC000048778103 507563007 /nfs/dbraw/zinc/56/30/07/507563007.db2.gz YHWBUZNJIMGHHZ-UHFFFAOYSA-N 0 3 359.495 2.699 50 0 FFAAHN Cc1n[nH]c(C)c1CCNC(=O)C1(N2CCCCC2)Cc2ccccc2C1 ZINC000072165750 507766567 /nfs/dbraw/zinc/76/65/67/507766567.db2.gz HCXCQCAKHFOABL-UHFFFAOYSA-N 0 3 366.509 2.709 50 0 FFAAHN Cc1nc[nH]c1C(=O)N1C[C@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072163921 507767276 /nfs/dbraw/zinc/76/72/76/507767276.db2.gz ZEQBMSLMLLQGGG-MISYRCLQSA-N 0 3 350.466 2.729 50 0 FFAAHN COc1cc(Cl)cc(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)c1 ZINC000072407422 507784152 /nfs/dbraw/zinc/78/41/52/507784152.db2.gz ZLNKUDMKJFITRF-CQSZACIVSA-N 0 3 366.889 2.922 50 0 FFAAHN OCCOc1ccc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000072421241 507786843 /nfs/dbraw/zinc/78/68/43/507786843.db2.gz SHBDBEPAFMDDER-QFIPXVFZSA-N 0 3 366.505 2.733 50 0 FFAAHN O=C(c1cc(C2CC2)n[nH]1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072425475 507788426 /nfs/dbraw/zinc/78/84/26/507788426.db2.gz MZUJSRSFBCFZPZ-UHFFFAOYSA-N 0 3 350.466 2.950 50 0 FFAAHN CNc1nc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cs1 ZINC000072456864 507793973 /nfs/dbraw/zinc/79/39/73/507793973.db2.gz AZBRMYBGQPHIOE-UHFFFAOYSA-N 0 3 356.495 2.848 50 0 FFAAHN C[C@@H](C1CCN(C(=O)c2ncoc2-c2ccccc2)CC1)N1CCOCC1 ZINC000072475606 507796378 /nfs/dbraw/zinc/79/63/78/507796378.db2.gz SLRYQZKAKFLXOV-INIZCTEOSA-N 0 3 369.465 2.915 50 0 FFAAHN O=C(Cc1cnc2ccccn12)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072479442 507797627 /nfs/dbraw/zinc/79/76/27/507797627.db2.gz DJBQCEDQPBUSSH-UHFFFAOYSA-N 0 3 374.488 2.926 50 0 FFAAHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1 ZINC000031075270 507817022 /nfs/dbraw/zinc/81/70/22/507817022.db2.gz NIFHRQGYYLKCSA-UHFFFAOYSA-N 0 3 360.479 2.770 50 0 FFAAHN O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000079073847 507930369 /nfs/dbraw/zinc/93/03/69/507930369.db2.gz NYNOOAZTFXRHBC-GOSISDBHSA-N 0 3 367.449 2.879 50 0 FFAAHN Cc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)cc1N1CCNC1=O ZINC000091326701 507981243 /nfs/dbraw/zinc/98/12/43/507981243.db2.gz QTFSUQNAKQJFMW-UHFFFAOYSA-N 0 3 370.497 2.615 50 0 FFAAHN Cc1nc(Cc2nc(-c3ccccn3)nn2C2CCN(C)CC2)cs1 ZINC000091486915 507990152 /nfs/dbraw/zinc/99/01/52/507990152.db2.gz TXOLVWOSUYVKSG-UHFFFAOYSA-N 0 3 354.483 2.963 50 0 FFAAHN Cc1c(CN2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)cnn1C ZINC000091645526 507999613 /nfs/dbraw/zinc/99/96/13/507999613.db2.gz CTIDKZDWXGJEMF-OAQYLSRUSA-N 0 3 367.497 2.528 50 0 FFAAHN Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1N1CCNC1=O ZINC000091807723 508015178 /nfs/dbraw/zinc/01/51/78/508015178.db2.gz OTGYVXUZPZZMMQ-UHFFFAOYSA-N 0 3 370.497 2.615 50 0 FFAAHN COCCN1C[C@H]2CC[C@@H]1CN(Cc1c[nH]nc1-c1ccc(OC)cc1)C2 ZINC000091896261 508022371 /nfs/dbraw/zinc/02/23/71/508022371.db2.gz AOMFNKZWTCHDAC-QFBILLFUSA-N 0 3 370.497 2.628 50 0 FFAAHN COc1ccccc1CN1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000091988012 508030361 /nfs/dbraw/zinc/03/03/61/508030361.db2.gz GRJQTXHWZNTTHA-DOTOQJQBSA-N 0 3 357.479 2.775 50 0 FFAAHN O=C(NCc1cccc(-n2cccn2)c1)C1CCN(Cc2ccco2)CC1 ZINC000095357633 508175456 /nfs/dbraw/zinc/17/54/56/508175456.db2.gz LFBUZHNBDVUUQM-UHFFFAOYSA-N 0 3 364.449 2.994 50 0 FFAAHN c1ccc(-c2nnc(CN3C[C@H]4CC[C@@H]3CN(C3CCOCC3)C4)o2)cc1 ZINC000095377831 508180006 /nfs/dbraw/zinc/18/00/06/508180006.db2.gz AFAPXJVMJGLOFB-QFBILLFUSA-N 0 3 368.481 2.812 50 0 FFAAHN O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000095386711 508182880 /nfs/dbraw/zinc/18/28/80/508182880.db2.gz DXPZOPMQLVNTSL-OAHLLOKOSA-N 0 3 352.438 2.727 50 0 FFAAHN CCN1CC[C@@]2(CN(Cc3ccc(SC)cc3)CCN2C)CCC1=O ZINC000095387276 508182995 /nfs/dbraw/zinc/18/29/95/508182995.db2.gz FDWXEMHHEILGLZ-HXUWFJFHSA-N 0 3 361.555 2.927 50 0 FFAAHN COc1cccc(NC(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)c1 ZINC000095505173 508192208 /nfs/dbraw/zinc/19/22/08/508192208.db2.gz QYORRNIAWXZTKE-INIZCTEOSA-N 0 3 371.485 2.865 50 0 FFAAHN COc1nc(C)cc(C)c1CNC(=O)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000095518774 508194011 /nfs/dbraw/zinc/19/40/11/508194011.db2.gz SRNRUVNUNNLLNY-MRXNPFEDSA-N 0 3 357.454 2.828 50 0 FFAAHN Cc1nn(C)cc1CN1CCC[C@@H](c2nccn2Cc2cscn2)C1 ZINC000095525704 508195832 /nfs/dbraw/zinc/19/58/32/508195832.db2.gz YBNHQRFNRJIPFC-OAHLLOKOSA-N 0 3 356.499 2.809 50 0 FFAAHN Cc1c(CN2CCC[C@@H](c3nccn3Cc3cccnc3)C2)cnn1C ZINC000095531267 508196829 /nfs/dbraw/zinc/19/68/29/508196829.db2.gz LQUULIPGZZLYKY-GOSISDBHSA-N 0 3 350.470 2.748 50 0 FFAAHN COC(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000095529315 508197183 /nfs/dbraw/zinc/19/71/83/508197183.db2.gz RNJSFBPLLYPOJK-IBGZPJMESA-N 0 3 373.497 2.636 50 0 FFAAHN C[C@@H](CO)[C@H](C)NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000095941357 508198717 /nfs/dbraw/zinc/19/87/17/508198717.db2.gz VVAPGRZNDVDLTH-GJZGRUSLSA-N 0 3 358.486 2.715 50 0 FFAAHN C[C@@H](C1CCN(C(=O)c2cc(F)ccc2Cl)CC1)N1CCN(C)CC1 ZINC000082097584 508225246 /nfs/dbraw/zinc/22/52/46/508225246.db2.gz VRSYPXVIVYPTHD-AWEZNQCLSA-N 0 3 367.896 2.967 50 0 FFAAHN C[C@@H](C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1)N1CCN(C)CC1 ZINC000082108609 508226307 /nfs/dbraw/zinc/22/63/07/508226307.db2.gz CDZNTFTZDSYLCT-INIZCTEOSA-N 0 3 354.498 2.656 50 0 FFAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)CCCn2cncn2)cc1 ZINC000077298310 508297122 /nfs/dbraw/zinc/29/71/22/508297122.db2.gz PWFQXTBQMOKZJP-LJQANCHMSA-N 0 3 355.486 2.874 50 0 FFAAHN COc1cccc(CN2CCC(c3nnc(CN4CCCC4)n3C)CC2)c1 ZINC000077319865 508299790 /nfs/dbraw/zinc/29/97/90/508299790.db2.gz CQZMVIVFUAPICJ-UHFFFAOYSA-N 0 3 369.513 2.799 50 0 FFAAHN O=C1CC[C@]2(CCCN(Cc3ccc(C(F)(F)F)cc3)C2)CN1CCO ZINC000077422090 508314470 /nfs/dbraw/zinc/31/44/70/508314470.db2.gz BUKMJCOMDYQSMN-SFHVURJKSA-N 0 3 370.415 2.902 50 0 FFAAHN Cc1cccc(OC2CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)c1 ZINC000077490021 508323487 /nfs/dbraw/zinc/32/34/87/508323487.db2.gz HTSVDKUKSTTZEJ-FQEVSTJZSA-N 0 3 354.450 2.640 50 0 FFAAHN Cc1cc2occ(CC(=O)NCCN3CCC[C@@H](CO)C3)c2cc1Cl ZINC000214978790 509242920 /nfs/dbraw/zinc/24/29/20/509242920.db2.gz NIHYJBPHEFJNGO-CQSZACIVSA-N 0 3 364.873 2.758 50 0 FFAAHN COc1ccccc1-n1cc(CN2CCC(c3nccn3C)CC2)cn1 ZINC000216072729 509255531 /nfs/dbraw/zinc/25/55/31/509255531.db2.gz KDAZHKJORBEESM-UHFFFAOYSA-N 0 3 351.454 2.994 50 0 FFAAHN CCN(CC)c1ccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)cc1 ZINC000219320458 509288116 /nfs/dbraw/zinc/28/81/16/509288116.db2.gz SYAZHWYWJLSPGK-IYWMVGAKSA-N 0 3 357.498 2.514 50 0 FFAAHN CC(C)(O)CN1CCCN(C(=O)c2ccc(SC(F)F)cc2)CC1 ZINC000170086619 509667284 /nfs/dbraw/zinc/66/72/84/509667284.db2.gz MUFYMMQYWBHQMU-UHFFFAOYSA-N 0 3 358.454 2.920 50 0 FFAAHN Cn1ccnc1SCc1ccc(C(=O)NCCCNc2ccncc2)o1 ZINC000170607481 509677781 /nfs/dbraw/zinc/67/77/81/509677781.db2.gz JDHCMKRAQQCEFE-UHFFFAOYSA-N 0 3 371.466 2.932 50 0 FFAAHN Cc1ccc(-n2cccn2)cc1NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000252484762 509840881 /nfs/dbraw/zinc/84/08/81/509840881.db2.gz GGZFGDYRKNQRPX-UHFFFAOYSA-N 0 3 353.430 2.583 50 0 FFAAHN Cc1ccc(SC2CCN(C(=O)CN3CC[C@@H](N(C)C)C3)CC2)cc1 ZINC000244626482 509861704 /nfs/dbraw/zinc/86/17/04/509861704.db2.gz FMLKBVWUJHPNIL-QGZVFWFLSA-N 0 3 361.555 2.714 50 0 FFAAHN Cc1ccc(NC(=O)CCN2CCC[C@H](CN3CCCC3=O)C2)cc1F ZINC000244724142 509867471 /nfs/dbraw/zinc/86/74/71/509867471.db2.gz MOJTXQOXNAHWSM-INIZCTEOSA-N 0 3 361.461 2.797 50 0 FFAAHN CCOCC(=O)N1CCC(N2C[C@H](OCC3CC3)C23CCCCC3)CC1 ZINC000257184100 509947816 /nfs/dbraw/zinc/94/78/16/509947816.db2.gz TWZUJJWJTYGMMZ-IBGZPJMESA-N 0 3 364.530 2.828 50 0 FFAAHN Cn1cc([C@H]2CCCN2C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000194451330 510371579 /nfs/dbraw/zinc/37/15/79/510371579.db2.gz LQVVYSWQCVMESU-UYAOXDASSA-N 0 3 367.497 2.789 50 0 FFAAHN C[C@H](c1ccc(OC(F)F)cc1)N1CCC(CNS(C)(=O)=O)CC1 ZINC000285564020 510958084 /nfs/dbraw/zinc/95/80/84/510958084.db2.gz VQTMBORKZSAJJR-GFCCVEGCSA-N 0 3 362.442 2.610 50 0 FFAAHN O=C(c1ccccc1)N1CC[C@@H](CN2CCC(Nc3cccnn3)CC2)C1 ZINC000283580629 511422915 /nfs/dbraw/zinc/42/29/15/511422915.db2.gz PBWQKNHXUQORBL-KRWDZBQOSA-N 0 3 365.481 2.515 50 0 FFAAHN CCN1CC[C@H](NC(=O)N(CCc2ccccc2)Cc2cccnc2)C1 ZINC000413849058 513848273 /nfs/dbraw/zinc/84/82/73/513848273.db2.gz XFBREMIOQDMZEF-FQEVSTJZSA-N 0 3 352.482 2.930 50 0 FFAAHN O=C(NCc1c[nH]nc1-c1ccc(F)cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000426358310 513913413 /nfs/dbraw/zinc/91/34/13/513913413.db2.gz MDAUSJBMHJBEAJ-GOSISDBHSA-N 0 3 371.460 2.986 50 0 FFAAHN CCn1cc(CN2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)cn1 ZINC000426428254 513937652 /nfs/dbraw/zinc/93/76/52/513937652.db2.gz HUCQMQHEQLUFEJ-CMKODMSKSA-N 0 3 356.470 2.889 50 0 FFAAHN CC(C)Nc1cc(-c2ccc(C(=O)N(C)[C@H]3CCN(C)C3)cc2)ncn1 ZINC000426444885 513942955 /nfs/dbraw/zinc/94/29/55/513942955.db2.gz IBXCEDKBKXKHKR-KRWDZBQOSA-N 0 3 353.470 2.740 50 0 FFAAHN O=C(NC[C@H](O)c1cccs1)NC1CCN(Cc2ccccc2)CC1 ZINC000426497063 513959899 /nfs/dbraw/zinc/95/98/99/513959899.db2.gz BQPQQEXOPWZOGU-KRWDZBQOSA-N 0 3 359.495 2.745 50 0 FFAAHN C[C@@H]1CCCCN1C1CN(C(=O)NCc2nc(-c3ccccc3)no2)C1 ZINC000426551755 513978856 /nfs/dbraw/zinc/97/88/56/513978856.db2.gz GAOWOTFEUAXSRR-CQSZACIVSA-N 0 3 355.442 2.505 50 0 FFAAHN O=C(NCc1nc(-c2ccccc2)no1)N1CC[C@@H](N2CCCCC2)C1 ZINC000426578799 513986085 /nfs/dbraw/zinc/98/60/85/513986085.db2.gz PJNHQDMVATYJJS-MRXNPFEDSA-N 0 3 355.442 2.506 50 0 FFAAHN CN(C)[C@H]1CN(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)cc2)C[C@@H]1O ZINC000426621618 513996938 /nfs/dbraw/zinc/99/69/38/513996938.db2.gz KCJBNNVENOZNLE-ROUUACIJSA-N 0 3 362.832 2.893 50 0 FFAAHN CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCN1CCCC[C@@H]1CO ZINC000426693859 514018014 /nfs/dbraw/zinc/01/80/14/514018014.db2.gz UENDCWIHDOQYMI-MRXNPFEDSA-N 0 3 373.419 2.694 50 0 FFAAHN C[C@@H](CN1CCCC1)NC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000534590756 517957063 /nfs/dbraw/zinc/95/70/63/517957063.db2.gz FSZWITYXPQYITL-VQFGERMISA-N 0 3 356.514 2.511 50 0 FFAAHN CCN1CCN(CCCNC(=O)N(Cc2sccc2C)C2CC2)CC1 ZINC000534671618 517993549 /nfs/dbraw/zinc/99/35/49/517993549.db2.gz SEKRRNRZVRWTIT-UHFFFAOYSA-N 0 3 364.559 2.758 50 0 FFAAHN CN(CCc1ccccn1)C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000584887261 518523468 /nfs/dbraw/zinc/52/34/68/518523468.db2.gz JMYRQXGJYMAXMP-UHFFFAOYSA-N 0 3 358.511 2.992 50 0 FFAAHN CC(C)CCN1CCN(Cc2cc(F)ccc2-n2cccn2)C[C@@H]1CCO ZINC000020995318 519653637 /nfs/dbraw/zinc/65/36/37/519653637.db2.gz LXPXTBOHLZRVSA-FQEVSTJZSA-N 0 3 374.504 2.926 50 0 FFAAHN CC(C)CCN1CCN(Cc2nc(-c3ccccc3)no2)C[C@@H]1CCO ZINC000020997667 519654459 /nfs/dbraw/zinc/65/44/59/519654459.db2.gz YQMSLXBIOQQPDZ-SFHVURJKSA-N 0 3 358.486 2.651 50 0 FFAAHN CCCN1CCCn2nc(CNC(=O)C3(c4ccc(F)cc4)CC3)cc2C1 ZINC000082137580 519854932 /nfs/dbraw/zinc/85/49/32/519854932.db2.gz VWSJMCXMPOESLP-UHFFFAOYSA-N 0 3 370.472 2.986 50 0 FFAAHN CN(C)c1ccc(CN2CC[C@]3(C2)CCCN(CC2CCC2)C3=O)cn1 ZINC000091550880 522185148 /nfs/dbraw/zinc/18/51/48/522185148.db2.gz UAFYWPBWVSWGGB-NRFANRHFSA-N 0 3 356.514 2.762 50 0 FFAAHN COc1cc(CN2CC[C@@H](N3CCN(C)CC3)C2)ccc1OCC=C(C)C ZINC000216455979 522390153 /nfs/dbraw/zinc/39/01/53/522390153.db2.gz ZUTIJQBMRIXONO-HXUWFJFHSA-N 0 3 373.541 2.862 50 0 FFAAHN CNc1nc(C)cc(NCc2cc3n(n2)CCN(C2CCCCC2)C3)n1 ZINC000082120313 522678107 /nfs/dbraw/zinc/67/81/07/522678107.db2.gz NHQPVYTXNCPZTO-UHFFFAOYSA-N 0 3 355.490 2.784 50 0 FFAAHN CCc1cc(NC2CCN(C[C@@H](O)CC)CC2)nc(-c2ccccn2)n1 ZINC000089282918 523821378 /nfs/dbraw/zinc/82/13/78/523821378.db2.gz MVDQHSIWOQSOFQ-KRWDZBQOSA-N 0 3 355.486 2.748 50 0 FFAAHN COc1ccc(CCNC(=O)CN2CC[C@H]3CCCC[C@H]3C2)cc1OC ZINC000245237099 523958022 /nfs/dbraw/zinc/95/80/22/523958022.db2.gz FRXTUKPKZWGEBX-MSOLQXFVSA-N 0 3 360.498 2.875 50 0 FFAAHN C[C@@H]1CN(C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000019939369 524922358 /nfs/dbraw/zinc/92/23/58/524922358.db2.gz UYCQSPPQIKEXDZ-HUUCEWRRSA-N 0 3 366.889 2.819 50 0 FFAAHN Cc1ccc([C@@H](O)CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000084148682 525782757 /nfs/dbraw/zinc/78/27/57/525782757.db2.gz REYLDHBQNRCCNW-KXBFYZLASA-N 0 3 362.495 2.630 50 0 FFAAHN COCCCN(C)Cc1cc2cc(C)ccc2nc1N1CCC[C@H](O)C1 ZINC000072422524 536514015 /nfs/dbraw/zinc/51/40/15/536514015.db2.gz OTHKXKJOVFGTLR-IBGZPJMESA-N 0 3 357.498 2.973 50 0 FFAAHN O=C(c1ccoc1)N1CCC(NCc2cccc3c2OCCCO3)CC1 ZINC000048252236 570940100 /nfs/dbraw/zinc/94/01/00/570940100.db2.gz UGEHRSHGRLJKFH-UHFFFAOYSA-N 0 3 356.422 2.835 50 0 FFAAHN O=C(CN1CCCCCC1)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000072144539 571172698 /nfs/dbraw/zinc/17/26/98/571172698.db2.gz IJLJEEKPCTWUSE-SFHVURJKSA-N 0 3 373.497 2.737 50 0 FFAAHN CC(C)c1nc(CCN(C)C(=O)N[C@H]2CCCN(C3CCCC3)C2)no1 ZINC000670452369 571352666 /nfs/dbraw/zinc/35/26/66/571352666.db2.gz FJSPZYJVKOSRMK-HNNXBMFYSA-N 0 3 363.506 2.784 50 0 FFAAHN COCCN1CCC[C@]2(CCN(Cc3ccc(Cl)c(F)c3)C2)C1=O ZINC000012457058 727813913 /nfs/dbraw/zinc/81/39/13/727813913.db2.gz SCIYSCDUUVRTSD-GOSISDBHSA-N 0 3 354.853 2.940 50 0 FFAAHN CN(C)c1nc(Cl)c(CN2CCN(C3CCCC3)[C@@H](CCO)C2)s1 ZINC000020514049 727832490 /nfs/dbraw/zinc/83/24/90/727832490.db2.gz MJYKJGILFCLAKK-AWEZNQCLSA-N 0 3 372.966 2.674 50 0 FFAAHN O=C(c1ccc2ncccc2c1)N(CCN1CCCC1)C1CCOCC1 ZINC000675022107 971503830 /nfs/dbraw/zinc/50/38/30/971503830.db2.gz IYPWUBVXAJLKDT-UHFFFAOYSA-N 0 3 353.466 2.952 50 0 FFAAHN CC(C)CCN1CCN(C(=O)/C=C\c2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000098009156 1013266352 /nfs/dbraw/zinc/26/63/52/1013266352.db2.gz FUCZRUCSYSVVKR-YHYXMXQVSA-N 0 3 369.509 2.782 50 0 FFAAHN COC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000643919646 978203391 /nfs/dbraw/zinc/20/33/91/978203391.db2.gz WMGXAUAHDBNUJK-LZJOCLMNSA-N 0 3 374.481 2.965 50 0 FFAAHN O=C(CCC1CCN(C(=O)c2ccccc2)CC1)NCCN1CCCCC1 ZINC000169749560 984950332 /nfs/dbraw/zinc/95/03/32/984950332.db2.gz FSBFTVILYIWZJX-UHFFFAOYSA-N 0 3 371.525 2.921 50 0 FFAAHN O=C1OCCN1c1cccc2c1CCN(C[C@H](O)Cc1ccccc1)C2 ZINC000173701908 985957744 /nfs/dbraw/zinc/95/77/44/985957744.db2.gz LAKBRUHTPIDBEQ-GOSISDBHSA-N 0 3 352.434 2.605 50 0 FFAAHN CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)Cc2c(C)noc2C)C1 ZINC000012448173 989447749 /nfs/dbraw/zinc/44/77/49/989447749.db2.gz BKOOKNCYGRLVNV-GOSISDBHSA-N 0 3 356.470 2.742 50 0 FFAAHN CO[C@H]1CN(C2CCN(C(=O)CCC3CCCC3)CC2)C12CCOCC2 ZINC000581802354 999945726 /nfs/dbraw/zinc/94/57/26/999945726.db2.gz JWQCZHRSDFDXCQ-IBGZPJMESA-N 0 3 364.530 2.828 50 0 FFAAHN CCc1nc(C)c(CN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)[nH]1 ZINC001529095706 1062159091 /nfs/dbraw/zinc/15/90/91/1062159091.db2.gz UGPPXNSIHWBNML-UZLBHIALSA-N 0 3 350.466 2.864 50 0 FFAAHN Cc1cc(C[C@@H]2CN(Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@@H]2O)n[nH]1 ZINC001529147184 1062189816 /nfs/dbraw/zinc/18/98/16/1062189816.db2.gz VRECJDMDMPXELD-BEFAXECRSA-N 0 3 371.872 2.593 50 0 FFAAHN Cc1cc(C[C@@H]2CN(Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@@H]2O)[nH]n1 ZINC001529147184 1062189820 /nfs/dbraw/zinc/18/98/20/1062189820.db2.gz VRECJDMDMPXELD-BEFAXECRSA-N 0 3 371.872 2.593 50 0 FFAAHN Cc1ccc([C@@H](C)CCN2CCCN(C(=O)Cn3ccnc3C)CC2)o1 ZINC001529174308 1062202604 /nfs/dbraw/zinc/20/26/04/1062202604.db2.gz TVAADZOPCQGQIB-INIZCTEOSA-N 0 3 358.486 2.821 50 0 FFAAHN O=C1C[C@@H](NCc2ccc3nonc3c2)CN1CCCc1ccccc1 ZINC000055212118 210067855 /nfs/dbraw/zinc/06/78/55/210067855.db2.gz SSKAWOAMCNUHSL-QGZVFWFLSA-N 0 3 350.422 2.546 50 0 FFAAHN CCCn1nc(C)c(NC(=O)N(C)CC2CCN(CCOC)CC2)c1C ZINC000299797994 210037925 /nfs/dbraw/zinc/03/79/25/210037925.db2.gz DKBLFILGJDQLGS-UHFFFAOYSA-N 0 3 365.522 2.732 50 0 FFAAHN O=C(c1cccc(Cl)c1)N1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000299787945 210029820 /nfs/dbraw/zinc/02/98/20/210029820.db2.gz ZCMFCCHADYWTQX-UHFFFAOYSA-N 0 3 363.889 2.500 50 0 FFAAHN CN1CCC(Oc2ccccc2NC(=O)NCCc2cscn2)CC1 ZINC000299780081 210025603 /nfs/dbraw/zinc/02/56/03/210025603.db2.gz JQIHITATXLHSFY-UHFFFAOYSA-N 0 3 360.483 2.980 50 0 FFAAHN O=C(NCCN1CCCC[C@H]1CO)Nc1ccc(Cl)c2ncccc12 ZINC000299767996 210014488 /nfs/dbraw/zinc/01/44/88/210014488.db2.gz DRMWUQOFGFZWLB-ZDUSSCGKSA-N 0 3 362.861 2.857 50 0 FFAAHN CCOC(=O)[C@H]1CCCN(C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)C1 ZINC000012414186 219991132 /nfs/dbraw/zinc/99/11/32/219991132.db2.gz UTVHFJMPJPDOLN-GELQRLDPSA-N 0 3 365.514 2.608 50 0 FFAAHN Cc1c2cccc(C)c2oc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000060359732 212020978 /nfs/dbraw/zinc/02/09/78/212020978.db2.gz QRUZEQFDILBALD-QGZVFWFLSA-N 0 3 371.481 2.722 50 0 FFAAHN COc1cc(CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)ccn1 ZINC000058264555 212000888 /nfs/dbraw/zinc/00/08/88/212000888.db2.gz NYZXJPMVJNBSQQ-INIZCTEOSA-N 0 3 374.510 2.863 50 0 FFAAHN C[C@@H](C(=O)NCCN1CCCCCC1)N1c2ccccc2CCCC1=O ZINC000032929352 211575502 /nfs/dbraw/zinc/57/55/02/211575502.db2.gz RWHFVXRXEVFODB-KRWDZBQOSA-N 0 3 357.498 2.737 50 0 FFAAHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCc1ccccc1 ZINC000023424874 211389684 /nfs/dbraw/zinc/38/96/84/211389684.db2.gz VUMJPKMHPYRSJR-OAHLLOKOSA-N 0 3 367.902 2.537 50 0 FFAAHN CCOC(=O)N1CCN([C@H]2CCCN(C/C=C/c3ccccc3)C2)CC1 ZINC000023372819 211387505 /nfs/dbraw/zinc/38/75/05/211387505.db2.gz VREVTKKPVCJFRY-FXVWLTTGSA-N 0 3 357.498 2.938 50 0 FFAAHN C/C=C(\C)CN1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023358838 211383696 /nfs/dbraw/zinc/38/36/96/211383696.db2.gz QUTLKPNCBSAPGA-VUGVYLIFSA-N 0 3 371.525 2.964 50 0 FFAAHN CCOC(=O)c1n[nH]cc1CN1CCC[C@H](N(C)Cc2ccccc2)C1 ZINC000022851331 211365120 /nfs/dbraw/zinc/36/51/20/211365120.db2.gz MVZAVMFCEGZCJE-SFHVURJKSA-N 0 3 356.470 2.683 50 0 FFAAHN C[C@@H](NCC1(N2CCOCC2)CCCCC1)C(=O)N1CCc2ccccc21 ZINC000022461394 211351252 /nfs/dbraw/zinc/35/12/52/211351252.db2.gz GVZJFPNZXNBHRX-GOSISDBHSA-N 0 3 371.525 2.589 50 0 FFAAHN Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)s1 ZINC000020998768 211304314 /nfs/dbraw/zinc/30/43/14/211304314.db2.gz DLWNVIWDKJERFL-CQSZACIVSA-N 0 3 361.515 2.540 50 0 FFAAHN CC(C)(C)CN1CCN(Cc2cnn(-c3cccc(F)c3)c2)C[C@@H]1CCO ZINC000020906982 211299932 /nfs/dbraw/zinc/29/99/32/211299932.db2.gz FWEDTDVEGFWGHN-FQEVSTJZSA-N 0 3 374.504 2.926 50 0 FFAAHN Cc1ccc(CN2CCN(C3CSCCSC3)C[C@@H]2CCO)cc1 ZINC000020448929 211278613 /nfs/dbraw/zinc/27/86/13/211278613.db2.gz DMRAQLJKUMQEOL-SFHVURJKSA-N 0 3 366.596 2.712 50 0 FFAAHN Cc1nc2ccccc2n1CCc1nc(-c2c(C)ncc3c2CCNC3)no1 ZINC000019883086 211260336 /nfs/dbraw/zinc/26/03/36/211260336.db2.gz OSTMXKRJOKOGME-UHFFFAOYSA-N 0 3 374.448 2.987 50 0 FFAAHN COc1cccc(-c2cc(C(=O)N3CCN(C4CCCC4)CC3)n[nH]2)c1 ZINC000015772538 211140955 /nfs/dbraw/zinc/14/09/55/211140955.db2.gz KGNSITKVAKWCJD-UHFFFAOYSA-N 0 3 354.454 2.786 50 0 FFAAHN C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1C[C@H](C)C[C@@H](C)C1 ZINC000015258065 211125652 /nfs/dbraw/zinc/12/56/52/211125652.db2.gz JUOQKGNWVQVFCM-UTUOFQBUSA-N 0 3 371.403 2.525 50 0 FFAAHN COc1ccc(C(=O)[C@@H]2CCCN(CCCn3cccn3)C2)cc1OC ZINC000014963198 211109459 /nfs/dbraw/zinc/10/94/59/211109459.db2.gz CJKRRGYGKQMKHV-QGZVFWFLSA-N 0 3 357.454 2.885 50 0 FFAAHN CCOC(=O)c1sc(NC(=O)C2Oc3ccccc3O[C@@H]2C)nc1C ZINC000014165496 211081087 /nfs/dbraw/zinc/08/10/87/211081087.db2.gz VPBXNDUZZDFBLU-MFKMUULPSA-N 0 3 362.407 2.795 50 0 FFAAHN CC(=O)Nc1ccc(CNCc2ccccc2CN2CCOCC2)cc1 ZINC000014157471 211079153 /nfs/dbraw/zinc/07/91/53/211079153.db2.gz AEYHKVBEJDVOOV-UHFFFAOYSA-N 0 3 353.466 2.767 50 0 FFAAHN O=C(c1ccco1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000000872216 210284977 /nfs/dbraw/zinc/28/49/77/210284977.db2.gz IBJQHZCMKBAUKY-UHFFFAOYSA-N 0 3 353.466 2.702 50 0 FFAAHN CN(C)CCNCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000022037599 220375670 /nfs/dbraw/zinc/37/56/70/220375670.db2.gz GIRODFXETIXMQW-UHFFFAOYSA-N 0 3 357.298 2.814 50 0 FFAAHN Cc1nn(C)cc1CN1CCC[C@H](c2nncn2Cc2ccccc2)C1 ZINC000065287786 221195759 /nfs/dbraw/zinc/19/57/59/221195759.db2.gz XTQFITZXYUQSCQ-SFHVURJKSA-N 0 3 350.470 2.748 50 0 FFAAHN O=c1oc2ccccc2n1CCN1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 ZINC000065529166 221230875 /nfs/dbraw/zinc/23/08/75/221230875.db2.gz VDOLCMXJUKBAIO-FUHWJXTLSA-N 0 3 356.397 2.584 50 0 FFAAHN CCNc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc(C)n1 ZINC000067601918 221261154 /nfs/dbraw/zinc/26/11/54/221261154.db2.gz NAMSNXWMVGHDRM-UHFFFAOYSA-N 0 3 359.861 2.833 50 0 FFAAHN Cc1[nH]c2c(cccc2C(=O)N2CCN(C)C3(CCN(C)CC3)C2)c1C ZINC000067605909 221261927 /nfs/dbraw/zinc/26/19/27/221261927.db2.gz BMCYJNVZNUEZAS-UHFFFAOYSA-N 0 3 354.498 2.637 50 0 FFAAHN CCC[C@H](N)C(=O)N1CCC(c2n[nH]cc2-c2cccc(OC)c2)CC1 ZINC000067884401 221301867 /nfs/dbraw/zinc/30/18/67/221301867.db2.gz JDHRNJYWGMYEGQ-SFHVURJKSA-N 0 3 356.470 2.919 50 0 FFAAHN CC(C)[C@H]1CN(C(=O)CCn2cnnc2)CCCN1Cc1ccc(F)cc1 ZINC000071661819 221354444 /nfs/dbraw/zinc/35/44/44/221354444.db2.gz VRKMOLVHQDKSSI-LJQANCHMSA-N 0 3 373.476 2.566 50 0 FFAAHN O=C(CCCc1cn[nH]c1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071762619 221369210 /nfs/dbraw/zinc/36/92/10/221369210.db2.gz UMNVCVPSARWRMA-CEMLEFRQSA-N 0 3 364.493 2.821 50 0 FFAAHN C[C@H]1C[C@H](Nc2cc(N3CCOCC3)ncn2)CCN1Cc1ccccc1 ZINC000302870319 258113396 /nfs/dbraw/zinc/11/33/96/258113396.db2.gz BBYDELXWPJFICZ-PKOBYXMFSA-N 0 3 367.497 2.778 50 0 FFAAHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCc1ccncc1OCCN(C)C ZINC000332053640 258212002 /nfs/dbraw/zinc/21/20/02/258212002.db2.gz NRLRYWVGPKVKOB-RYRKJORJSA-N 0 3 360.502 2.885 50 0 FFAAHN Cc1cccnc1N1CCN(C(=O)CN2CC[C@@H](c3ccccc3)C2)CC1 ZINC000082092983 132194162 /nfs/dbraw/zinc/19/41/62/132194162.db2.gz JNCCKLQWABXUOI-HXUWFJFHSA-N 0 3 364.493 2.528 50 0 FFAAHN OC1(CNCc2cc3ccccc3nc2N2CCCCC2)CCOCC1 ZINC000238157087 132249092 /nfs/dbraw/zinc/24/90/92/132249092.db2.gz FSANIHGJZIFGCF-UHFFFAOYSA-N 0 3 355.482 2.856 50 0 FFAAHN CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CC1 ZINC000000809574 132378643 /nfs/dbraw/zinc/37/86/43/132378643.db2.gz JHUGPCBKFREDMC-UHFFFAOYSA-N 0 3 353.422 2.810 50 0 FFAAHN COc1c(C)cc(C)cc1CN1CCC2(CCC(=O)N(CCO)C2)CC1 ZINC000091679331 221784255 /nfs/dbraw/zinc/78/42/55/221784255.db2.gz KXMSQKBJNFMRRA-UHFFFAOYSA-N 0 3 360.498 2.509 50 0 FFAAHN COCC(=O)Nc1cccc(NC(=O)N(C)CCN2CCCC[C@@H]2C)c1 ZINC000096165451 222065134 /nfs/dbraw/zinc/06/51/34/222065134.db2.gz CLQSTGJPDLWTPA-HNNXBMFYSA-N 0 3 362.474 2.610 50 0 FFAAHN Cc1ccc(CN(Cc2ccccn2)C(=O)C[C@@H]2CN(C)CCN2C)s1 ZINC000097334223 222175796 /nfs/dbraw/zinc/17/57/96/222175796.db2.gz XCBABIZFMXJSBR-GOSISDBHSA-N 0 3 372.538 2.616 50 0 FFAAHN Cc1cc(C)n(-c2ccc(F)cc2CN(C)CC2(CO)CCOCC2)n1 ZINC000097515156 222188194 /nfs/dbraw/zinc/18/81/94/222188194.db2.gz XCCDFZKMKIKOMC-UHFFFAOYSA-N 0 3 361.461 2.849 50 0 FFAAHN CN1CCCCC[C@@H]1C(=O)N(CCCn1ccnc1)Cc1cccnc1 ZINC000097681773 222205852 /nfs/dbraw/zinc/20/58/52/222205852.db2.gz DWKOEYWAFIPBTQ-LJQANCHMSA-N 0 3 355.486 2.571 50 0 FFAAHN O=C1C[C@H](NC2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1 ZINC000102470920 222298877 /nfs/dbraw/zinc/29/88/77/222298877.db2.gz ITQJDRUMVJXLTB-FQEVSTJZSA-N 0 3 363.461 2.573 50 0 FFAAHN CC(C)CCN1CCN(Cc2cccn2-c2ccccn2)C[C@H]1CCO ZINC000104535880 222359736 /nfs/dbraw/zinc/35/97/36/222359736.db2.gz BCBZHSQWXNJVLH-LJQANCHMSA-N 0 3 356.514 2.787 50 0 FFAAHN CCc1ccc([C@H](CNC(=O)C2CCN(C(=O)C3CC3)CC2)N(C)C)cc1 ZINC000032733264 506285604 /nfs/dbraw/zinc/28/56/04/506285604.db2.gz FKDLEXKEHISJRF-FQEVSTJZSA-N 0 3 371.525 2.617 50 0 FFAAHN Cc1ccc(C(=O)N/C(=C/c2ccc(F)cc2)C(=O)NCCN(C)C)cc1 ZINC000002678710 506287508 /nfs/dbraw/zinc/28/75/08/506287508.db2.gz LTVZJJFZTFHIHY-XMHGGMMESA-N 0 3 369.440 2.583 50 0 FFAAHN COc1ccc(N2C(=O)C[C@@H](NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000004247713 506366042 /nfs/dbraw/zinc/36/60/42/506366042.db2.gz CMDGXOSBMYYFSQ-YXSDIZSPSA-N 0 3 354.450 2.886 50 0 FFAAHN O[C@H](CNCCNc1nccc(C(F)(F)F)n1)CSc1ccccc1 ZINC000004299445 506369678 /nfs/dbraw/zinc/36/96/78/506369678.db2.gz ZMHPJEUQVNFNNB-GFCCVEGCSA-N 0 3 372.416 2.650 50 0 FFAAHN COC(=O)C1CCN(C(=O)CN2CCC(CCc3ccccc3)CC2)CC1 ZINC000040024261 506459100 /nfs/dbraw/zinc/45/91/00/506459100.db2.gz OLMYRLKIAVZMQB-UHFFFAOYSA-N 0 3 372.509 2.743 50 0 FFAAHN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN(C)C1CCCCC1 ZINC000007909892 506600878 /nfs/dbraw/zinc/60/08/78/506600878.db2.gz YAWHUTHHYJSJCH-UHFFFAOYSA-N 0 3 351.878 2.968 50 0 FFAAHN Cn1nc(C(=O)NCCN2CCCCCC2)c2c1-c1ccsc1CC2 ZINC000009687625 506709048 /nfs/dbraw/zinc/70/90/48/506709048.db2.gz WMIIPXUKOGGDCZ-UHFFFAOYSA-N 0 3 358.511 2.853 50 0 FFAAHN Cc1nn(C)cc1CN1CCC[C@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000012074531 506813693 /nfs/dbraw/zinc/81/36/93/506813693.db2.gz QBMMWZQDIXZTKJ-MRXNPFEDSA-N 0 3 365.481 2.852 50 0 FFAAHN CC(=O)N1CCN(c2ncccc2CNC/C(C)=C/c2ccccc2)CC1 ZINC000012300324 506844779 /nfs/dbraw/zinc/84/47/79/506844779.db2.gz SWFQRQBZKAEGAK-OBGWFSINSA-N 0 3 364.493 2.943 50 0 FFAAHN COc1ccc(CNCc2ccc(C)o2)cc1OC[C@H](O)CN1CCCC1 ZINC000012297947 506844876 /nfs/dbraw/zinc/84/48/76/506844876.db2.gz WAXAMTJYRPBUII-GOSISDBHSA-N 0 3 374.481 2.722 50 0 FFAAHN COc1ccc(-c2n[nH]cc2CN(C[C@H]2CCC(=O)N2)C(C)C)c(OC)c1 ZINC000012306262 506847255 /nfs/dbraw/zinc/84/72/55/506847255.db2.gz WHAKDZZVNZNLAA-OAHLLOKOSA-N 0 3 372.469 2.583 50 0 FFAAHN CCn1nc(C)c(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)c1C ZINC000012441926 506864311 /nfs/dbraw/zinc/86/43/11/506864311.db2.gz OKFDVSNWGYOVJM-UHFFFAOYSA-N 0 3 370.501 2.902 50 0 FFAAHN O=C(CSc1ncccn1)N[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000012595132 506882749 /nfs/dbraw/zinc/88/27/49/506882749.db2.gz KTEKLWYDTVTEQB-SFHVURJKSA-N 0 3 370.522 2.782 50 0 FFAAHN Cc1c(=O)[n-]c(-c2cccc(C[N@H+](C)CCCO)c2)nc1C(F)(F)F ZINC000048066934 507445633 /nfs/dbraw/zinc/44/56/33/507445633.db2.gz MVDPKCFMBFHHCX-UHFFFAOYSA-N 0 3 355.360 2.991 50 0 FFAAHN Cc1c(=O)[n-]c(-c2cccc(C[N@@H+](C)CCCO)c2)nc1C(F)(F)F ZINC000048066934 507445638 /nfs/dbraw/zinc/44/56/38/507445638.db2.gz MVDPKCFMBFHHCX-UHFFFAOYSA-N 0 3 355.360 2.991 50 0 FFAAHN CC(=O)N1CCCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000025221843 507476062 /nfs/dbraw/zinc/47/60/62/507476062.db2.gz HEDKQHFJNFUWFQ-SFHVURJKSA-N 0 3 365.477 2.710 50 0 FFAAHN Cc1nc[nH]c1CN1CC[C@H]2N(Cc3cccs3)CCC[C@]2(CO)C1 ZINC000072128211 507751723 /nfs/dbraw/zinc/75/17/23/507751723.db2.gz CPTBUVOJNLWJAG-RTBURBONSA-N 0 3 360.527 2.629 50 0 FFAAHN O[C@H]1Cc2ccccc2C12CCN(Cc1cnc(-c3ccccn3)nc1)CC2 ZINC000072153347 507761583 /nfs/dbraw/zinc/76/15/83/507761583.db2.gz IBRICEGHLISIEV-NRFANRHFSA-N 0 3 372.472 2.989 50 0 FFAAHN CN(C[C@H]1CCCN1C)c1nc(CCc2ccccc2)nc2c1cnn2C ZINC000072152912 507761967 /nfs/dbraw/zinc/76/19/67/507761967.db2.gz IYLNHQKVKMYOAC-QGZVFWFLSA-N 0 3 364.497 2.679 50 0 FFAAHN Cc1ccccc1Cn1cc(-c2nc(CC3CCN(C)CC3)no2)nn1 ZINC000072157033 507763092 /nfs/dbraw/zinc/76/30/92/507763092.db2.gz IFDWPVCOTGUQAW-UHFFFAOYSA-N 0 3 352.442 2.569 50 0 FFAAHN COC(=O)c1cccnc1N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072157805 507764121 /nfs/dbraw/zinc/76/41/21/507764121.db2.gz PWSRVRUAIUZULD-XUVXKRRUSA-N 0 3 363.461 2.935 50 0 FFAAHN Cc1cc(-n2cccn2)ccc1C[N@H+]1CCC[C@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000072164516 507766393 /nfs/dbraw/zinc/76/63/93/507766393.db2.gz MXXOAJHAUYFWCZ-SFHVURJKSA-N 0 3 363.465 2.952 50 0 FFAAHN Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCC[C@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000072164516 507766396 /nfs/dbraw/zinc/76/63/96/507766396.db2.gz MXXOAJHAUYFWCZ-SFHVURJKSA-N 0 3 363.465 2.952 50 0 FFAAHN CCC[NH+]1CCC(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)CC1 ZINC000072301566 507773252 /nfs/dbraw/zinc/77/32/52/507773252.db2.gz CCXZHKQZOHGNLT-UHFFFAOYSA-N 0 3 354.454 2.806 50 0 FFAAHN O[C@H]1CCCN(CCCNc2cc(-c3ccccc3)nc3ccnn32)C1 ZINC000072421860 507787599 /nfs/dbraw/zinc/78/75/99/507787599.db2.gz UEDVDQSUSGJQBB-KRWDZBQOSA-N 0 3 351.454 2.655 50 0 FFAAHN Cc1cccc(CN2CCN(C(=O)c3ccc(-c4nnc[nH]4)cc3)CC2)c1 ZINC000072430947 507789737 /nfs/dbraw/zinc/78/97/37/507789737.db2.gz SQHOJCFHVMOEKO-UHFFFAOYSA-N 0 3 361.449 2.738 50 0 FFAAHN O=C1CC[C@H]2CN(C/C=C/c3ccccc3)CC[C@H]2N1CCc1c[nH]cn1 ZINC000072463264 507793866 /nfs/dbraw/zinc/79/38/66/507793866.db2.gz ACGDUCMUJCEWDJ-ZJXRNUBLSA-N 0 3 364.493 2.979 50 0 FFAAHN O=C1CC[C@H]2CN(Cc3cccs3)CC[C@H]2N1CCCn1ccnc1 ZINC000072474173 507795518 /nfs/dbraw/zinc/79/55/18/507795518.db2.gz AQKFSKAQDGEKCG-FUHWJXTLSA-N 0 3 358.511 2.848 50 0 FFAAHN Cc1ccccc1NC(=O)[C@@H](C)N1CCC(C)(CN2CCOCC2)CC1 ZINC000089690514 507857128 /nfs/dbraw/zinc/85/71/28/507857128.db2.gz BEESMUBJUDIFPI-GOSISDBHSA-N 0 3 359.514 2.756 50 0 FFAAHN O=C1CCC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)CN1CCO ZINC000091289579 507979183 /nfs/dbraw/zinc/97/91/83/507979183.db2.gz IXCNNTBNBLNFPC-UHFFFAOYSA-N 0 3 370.415 2.902 50 0 FFAAHN COc1c[nH]c(CN2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)cc1=O ZINC000091390762 507982847 /nfs/dbraw/zinc/98/28/47/507982847.db2.gz ZIDMHZXZNUMIMN-OAQYLSRUSA-N 0 3 373.497 2.531 50 0 FFAAHN Cc1ncc2c(c1CNC(=O)c1ccc([C@@H]3CCCO3)s1)CCNC2 ZINC000091444893 507986073 /nfs/dbraw/zinc/98/60/73/507986073.db2.gz WDQOXLILYOCYCU-INIZCTEOSA-N 0 3 357.479 2.879 50 0 FFAAHN CCOCc1nc(-c2ccc(-n3cccn3)cc2)n(C2CCN(C)CC2)n1 ZINC000091468792 507988361 /nfs/dbraw/zinc/98/83/61/507988361.db2.gz IBHHPJQYIUJNMZ-UHFFFAOYSA-N 0 3 366.469 2.934 50 0 FFAAHN O=C(C1CC1)N1CCc2nc[nH]c2C12CCN(Cc1cccc(F)c1)CC2 ZINC000091487148 507989703 /nfs/dbraw/zinc/98/97/03/507989703.db2.gz MXCTXBVSFUNCSI-UHFFFAOYSA-N 0 3 368.456 2.835 50 0 FFAAHN CCOCc1nc(-c2cccc(OC)c2OC)n(C2CCN(C)CC2)n1 ZINC000091574882 507993180 /nfs/dbraw/zinc/99/31/80/507993180.db2.gz FQCWESBFPMZKEL-UHFFFAOYSA-N 0 3 360.458 2.766 50 0 FFAAHN CNC(=O)c1cccnc1N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000091794532 508013766 /nfs/dbraw/zinc/01/37/66/508013766.db2.gz BNPNQWFMFRSULF-QZTJIDSGSA-N 0 3 350.466 2.542 50 0 FFAAHN CN(CCNC(=O)c1cc(-c2ccccc2O)n[nH]1)CCc1ccccc1 ZINC000095371072 508178287 /nfs/dbraw/zinc/17/82/87/508178287.db2.gz IOTZXLXKCCGCRN-UHFFFAOYSA-N 0 3 364.449 2.687 50 0 FFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 ZINC000095370894 508178542 /nfs/dbraw/zinc/17/85/42/508178542.db2.gz UJPIWLHBYWVUMZ-SFHVURJKSA-N 0 3 369.513 2.531 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)CCc3scnc3C)C[C@H]2N(C)C)cc1 ZINC000095384807 508182316 /nfs/dbraw/zinc/18/23/16/508182316.db2.gz NIIQPUFAIONNJS-ZWKOTPCHSA-N 0 3 373.522 2.949 50 0 FFAAHN Clc1cccc(N2CCN(CCCN3CCc4nc[nH]c4C3)CC2)c1 ZINC000095392091 508184359 /nfs/dbraw/zinc/18/43/59/508184359.db2.gz GWHMMUWUEMJIOZ-UHFFFAOYSA-N 0 3 359.905 2.634 50 0 FFAAHN CN(Cc1ccon1)Cc1ccccc1OC[C@H](O)CN1CCCCC1 ZINC000095501552 508190520 /nfs/dbraw/zinc/19/05/20/508190520.db2.gz VMCKPOSJALNTHH-LJQANCHMSA-N 0 3 359.470 2.532 50 0 FFAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1nccn1C ZINC000095501431 508190597 /nfs/dbraw/zinc/19/05/97/508190597.db2.gz JBYWDNYKKXUGFG-GOSISDBHSA-N 0 3 372.488 2.976 50 0 FFAAHN Cc1cc(C(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)ccc1[O-] ZINC000095513153 508193447 /nfs/dbraw/zinc/19/34/47/508193447.db2.gz PVKGYHOVBDHMCJ-GOSISDBHSA-N 0 3 370.497 2.869 50 0 FFAAHN CN(C[C@@H]1CCCN(CCc2ccc(F)cc2)C1)S(=O)(=O)C1CC1 ZINC000095521328 508195070 /nfs/dbraw/zinc/19/50/70/508195070.db2.gz BYXMUHXNQSGUIM-INIZCTEOSA-N 0 3 354.491 2.504 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)c3cnn4ccccc34)C[C@H]2N(C)C)cc1 ZINC000095523687 508195647 /nfs/dbraw/zinc/19/56/47/508195647.db2.gz CDXWNVYWELVLQF-AZUAARDMSA-N 0 3 364.449 2.513 50 0 FFAAHN O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CC(Oc2ccccc2F)C1 ZINC000095527705 508196248 /nfs/dbraw/zinc/19/62/48/508196248.db2.gz CITDKOUCGVEZSD-OAHLLOKOSA-N 0 3 358.413 2.921 50 0 FFAAHN Fc1ccc(-c2nnc3n2C[C@H](NCc2cccc4nccn42)CC3)cc1 ZINC000096002606 508201919 /nfs/dbraw/zinc/20/19/19/508201919.db2.gz FDIZZUUYUZTUOB-MRXNPFEDSA-N 0 3 362.412 2.837 50 0 FFAAHN Cc1c(C(=O)O[C@H](C)C(=O)NCC(F)(F)F)ccc2cnc(C3CC3)n21 ZINC000096004043 508202597 /nfs/dbraw/zinc/20/25/97/508202597.db2.gz MUHRSLPMUHYCKD-SNVBAGLBSA-N 0 3 369.343 2.744 50 0 FFAAHN O=C1CC[C@@]2(CCCN(Cc3ccnc4ccccc34)C2)CN1CCCO ZINC000082086638 508224906 /nfs/dbraw/zinc/22/49/06/508224906.db2.gz JCRCGWVIPNPVJD-JOCHJYFZSA-N 0 3 367.493 2.822 50 0 FFAAHN O=C(NCc1cc2n(n1)CCCNC2)C1(c2ccccc2)CCCCC1 ZINC000082125689 508226337 /nfs/dbraw/zinc/22/63/37/508226337.db2.gz TXRXESAQTCDWCD-UHFFFAOYSA-N 0 3 352.482 2.895 50 0 FFAAHN C[C@H](C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1)N1CCN(C)CC1 ZINC000082108610 508226408 /nfs/dbraw/zinc/22/64/08/508226408.db2.gz CDZNTFTZDSYLCT-MRXNPFEDSA-N 0 3 354.498 2.656 50 0 FFAAHN Cc1ccc(C2(C(=O)N3CCC([C@@H](C)N4CCN(C)CC4)CC3)CC2)cc1 ZINC000082146773 508227011 /nfs/dbraw/zinc/22/70/11/508227011.db2.gz PLZVWCRHIZAMLU-LJQANCHMSA-N 0 3 369.553 2.901 50 0 FFAAHN CCc1nc(C)c(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)o1 ZINC000077406062 508312059 /nfs/dbraw/zinc/31/20/59/508312059.db2.gz RDCRIZLMSOHDPO-UHFFFAOYSA-N 0 3 353.466 2.861 50 0 FFAAHN O=C(CCCn1cccn1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000077519265 508327373 /nfs/dbraw/zinc/32/73/73/508327373.db2.gz UMMMYGMGYZJFJD-UHFFFAOYSA-N 0 3 356.514 2.776 50 0 FFAAHN O[C@]1(CN2CCCC2)COCCN(c2nc3ccc(Cl)cc3s2)C1 ZINC000077565091 508335323 /nfs/dbraw/zinc/33/53/23/508335323.db2.gz GFGNLZMZWKMQPU-KRWDZBQOSA-N 0 3 367.902 2.613 50 0 FFAAHN CN(C)[C@@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000106770418 508404235 /nfs/dbraw/zinc/40/42/35/508404235.db2.gz PKUSFAGYAOLFMA-GFCCVEGCSA-N 0 3 353.253 2.955 50 0 FFAAHN Cc1ccccc1[C@@]1(O)CCN(Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000215083465 509245334 /nfs/dbraw/zinc/24/53/34/509245334.db2.gz RFKHWKGARLUVPU-HXUWFJFHSA-N 0 3 374.868 2.606 50 0 FFAAHN Cc1cc(C)c2[nH]c(=O)c(CN3CCC(Oc4ncccn4)CC3)cc2c1 ZINC000215681371 509250311 /nfs/dbraw/zinc/25/03/11/509250311.db2.gz JHXXRWJIOQBZDH-UHFFFAOYSA-N 0 3 364.449 2.978 50 0 FFAAHN c1cnn(Cc2ccc(CN3CCN(C4CCSCC4)CC3)cc2)c1 ZINC000216074270 509255346 /nfs/dbraw/zinc/25/53/46/509255346.db2.gz ORWKFQQVNMVGPB-UHFFFAOYSA-N 0 3 356.539 2.945 50 0 FFAAHN O=C(c1cccs1)N1CCC(N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)CC1 ZINC000219601062 509290208 /nfs/dbraw/zinc/29/02/08/509290208.db2.gz VYDBZTMQIRMLDF-SIXWZSSISA-N 0 3 371.506 2.850 50 0 FFAAHN Cc1ccc(NCCCNC(=O)CN2CC[C@H](c3ccccc3)C2)nc1 ZINC000219918819 509294926 /nfs/dbraw/zinc/29/49/26/509294926.db2.gz YWNXMVULBFIVMZ-IBGZPJMESA-N 0 3 352.482 2.798 50 0 FFAAHN CSc1ncc(C(=O)NCC2(c3ccccc3)CCN(C)CC2)cn1 ZINC000220621065 509301912 /nfs/dbraw/zinc/30/19/12/509301912.db2.gz MMMDHBLODJBEPD-UHFFFAOYSA-N 0 3 356.495 2.592 50 0 FFAAHN O=C(c1cccs1)N1CC[C@@](O)(c2ccccc2)[C@H](N2CCCC2)C1 ZINC000225304225 509368374 /nfs/dbraw/zinc/36/83/74/509368374.db2.gz JGYQGSNPBYQKCO-UYAOXDASSA-N 0 3 356.491 2.946 50 0 FFAAHN CSCC[C@H](N)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000237310920 509619864 /nfs/dbraw/zinc/61/98/64/509619864.db2.gz YMUALSFQGNXUPN-INIZCTEOSA-N 0 3 355.935 2.501 50 0 FFAAHN COc1ccc([C@H](CNC(=O)[C@H]2CCCN2C2CC2)N2CCCC2)cc1 ZINC000170615863 509681995 /nfs/dbraw/zinc/68/19/95/509681995.db2.gz SHONEQSPXYKUKV-UXHICEINSA-N 0 3 357.498 2.575 50 0 FFAAHN Cc1c(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c2cc(O)ccc2n1C ZINC000252488580 509841924 /nfs/dbraw/zinc/84/19/24/509841924.db2.gz IUYLHVYLCJFZON-KRWDZBQOSA-N 0 3 371.481 2.566 50 0 FFAAHN COc1ccc(OC)c(NC(=O)CCN(C)Cc2ccc3nonc3c2)c1 ZINC000244673552 509863113 /nfs/dbraw/zinc/86/31/13/509863113.db2.gz HRKOHZMOBMVRCY-UHFFFAOYSA-N 0 3 370.409 2.701 50 0 FFAAHN COc1ccc2nc(CCN(C)Cc3nc(-c4ccncc4)no3)[nH]c2c1 ZINC000244874894 509875177 /nfs/dbraw/zinc/87/51/77/509875177.db2.gz XJDBFYPAIFITJK-UHFFFAOYSA-N 0 3 364.409 2.691 50 0 FFAAHN O=C(CCN1CCC[C@H](OCc2ccccn2)C1)NCc1cccs1 ZINC000244887887 509876405 /nfs/dbraw/zinc/87/64/05/509876405.db2.gz YQCZOBLJHIYLFW-KRWDZBQOSA-N 0 3 359.495 2.831 50 0 FFAAHN COC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@H]1c1ccccc1C ZINC000245229838 509885178 /nfs/dbraw/zinc/88/51/78/509885178.db2.gz GYKGGYRCKBGYPY-KDOFPFPSSA-N 0 3 357.454 2.650 50 0 FFAAHN Cc1noc(CN2CCN([C@@H]3CCN(Cc4cc(C)ccc4C)C3)C2=O)n1 ZINC000257194330 509953614 /nfs/dbraw/zinc/95/36/14/509953614.db2.gz TWDQCMMZVPJJIN-GOSISDBHSA-N 0 3 369.469 2.507 50 0 FFAAHN O=S(=O)(CCc1cccs1)NC1CCN(CC2CCCC2)CC1 ZINC000195360117 510800767 /nfs/dbraw/zinc/80/07/67/510800767.db2.gz RCCFMHDTUYZYJG-UHFFFAOYSA-N 0 3 356.557 2.865 50 0 FFAAHN Cc1cc(=O)c(C(=O)NCC[C@H]2CCCCN2Cc2ccccc2)cn1C ZINC000426401964 513928408 /nfs/dbraw/zinc/92/84/08/513928408.db2.gz POXWNYITGKACRG-LJQANCHMSA-N 0 3 367.493 2.868 50 0 FFAAHN O=C(NCCN1CCC[C@@H](CO)C1)c1cccc(-c2ncccc2Cl)c1 ZINC000426491612 513958538 /nfs/dbraw/zinc/95/85/38/513958538.db2.gz XXWSWSNJRBFGDV-OAHLLOKOSA-N 0 3 373.884 2.836 50 0 FFAAHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cnn(Cc3cccc(F)c3)c1)C2 ZINC000426505842 513964348 /nfs/dbraw/zinc/96/43/48/513964348.db2.gz PJOYAXKIBZTJRC-ZWKOTPCHSA-N 0 3 357.433 2.771 50 0 FFAAHN CN(C)[C@H]1CCN(C(=O)c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)C1 ZINC000426514631 513965127 /nfs/dbraw/zinc/96/51/27/513965127.db2.gz JDOLYNBAZRXXJY-SFHVURJKSA-N 0 3 372.490 2.533 50 0 FFAAHN COCCN1CCC[C@@H](CNC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000426589910 513988648 /nfs/dbraw/zinc/98/86/48/513988648.db2.gz CTQPJGZZJRGUFF-HNNXBMFYSA-N 0 3 353.894 2.840 50 0 FFAAHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-c3cccc(N)n3)cc1)C2 ZINC000426746346 514031725 /nfs/dbraw/zinc/03/17/25/514031725.db2.gz UBVSYGBWRVRMTO-OAQYLSRUSA-N 0 3 350.466 2.889 50 0 FFAAHN Cc1ccc(CC2(NC(=O)N(CCN(C)C)C[C@@H]3CCCO3)CC2)cc1 ZINC000584895766 518527427 /nfs/dbraw/zinc/52/74/27/518527427.db2.gz RGDZVMFKBMGZJQ-IBGZPJMESA-N 0 3 359.514 2.822 50 0 FFAAHN COc1cc(C)c(NC(=O)N[C@H]2CCC[C@H]2N2CC[C@@H](OC)C2)cc1F ZINC000626509725 522242419 /nfs/dbraw/zinc/24/24/19/522242419.db2.gz VTAPHBFGNWVIJQ-UKPHBRMFSA-N 0 3 365.449 2.906 50 0 FFAAHN COc1cc(OC)c(OC)cc1CN[C@H]1CCCN(Cc2ccccn2)C1 ZINC000020994615 522827018 /nfs/dbraw/zinc/82/70/18/522827018.db2.gz VSDOSLBSQWVDPZ-SFHVURJKSA-N 0 3 371.481 2.862 50 0 FFAAHN CCn1c(Cn2cccn2)nnc1C1CCN(Cc2cccc(O)c2)CC1 ZINC000091416818 523203801 /nfs/dbraw/zinc/20/38/01/523203801.db2.gz CTFHSBMKBUCAHP-UHFFFAOYSA-N 0 3 366.469 2.628 50 0 FFAAHN Cc1cccc(N2CCN(CCC(=O)N3CC(c4ccccn4)C3)CC2)c1 ZINC000091550789 524556750 /nfs/dbraw/zinc/55/67/50/524556750.db2.gz OPIBJINFUDBHIY-UHFFFAOYSA-N 0 3 364.493 2.528 50 0 FFAAHN Cc1cccc(OCC(=O)Nc2cccc3c2CN(CCN(C)C)C3)c1 ZINC000089677571 524722207 /nfs/dbraw/zinc/72/22/07/524722207.db2.gz XFXCBQCQIBODCB-UHFFFAOYSA-N 0 3 353.466 2.890 50 0 FFAAHN Cc1ccc(/C=C\C(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)o1 ZINC000227133922 525961433 /nfs/dbraw/zinc/96/14/33/525961433.db2.gz ITAKOKZGLCMURP-QXPKXGMISA-N 0 3 367.449 2.937 50 0 FFAAHN O=C(NCCN1CCCCC1)[C@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000020996339 526307409 /nfs/dbraw/zinc/30/74/09/526307409.db2.gz RZWWNUNXPUPGFJ-HNNXBMFYSA-N 0 3 373.526 2.510 50 0 FFAAHN O=C1CCC2(CCN(CCSc3ccccc3)CC2)CN1CCCO ZINC000091468536 526964462 /nfs/dbraw/zinc/96/44/62/526964462.db2.gz DOFYCAPQFGPNJB-UHFFFAOYSA-N 0 3 362.539 2.866 50 0 FFAAHN Cc1nccn1CCCC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000082156603 527391867 /nfs/dbraw/zinc/39/18/67/527391867.db2.gz TVGYDFANTDRQOI-UHFFFAOYSA-N 0 3 358.461 2.845 50 0 FFAAHN CCCc1cnc(C)nc1N1CCC[C@@H](c2nccn2CCN(C)C)C1 ZINC000095502225 535436743 /nfs/dbraw/zinc/43/67/43/535436743.db2.gz RUUXNOLWTWPGIR-GOSISDBHSA-N 0 3 356.518 2.880 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(c2nc(C)cc(C)n2)CC1 ZINC000095512215 535599651 /nfs/dbraw/zinc/59/96/51/535599651.db2.gz RZEQFHYRNIWLTG-IBGZPJMESA-N 0 3 373.545 2.691 50 0 FFAAHN Cc1ccsc1C(=O)N1CCC2(CC1)C[C@@H](N1CCOCC1)CCO2 ZINC000581783793 845943027 /nfs/dbraw/zinc/94/30/27/845943027.db2.gz AAPAYHBWJHGPCA-INIZCTEOSA-N 0 3 364.511 2.543 50 0 FFAAHN CC(C)n1ccnc1CNC(=O)N(Cc1ccncc1)C1CCN(C)CC1 ZINC000823759339 999074977 /nfs/dbraw/zinc/07/49/77/999074977.db2.gz OVYMRQNFLHYWRL-UHFFFAOYSA-N 0 3 370.501 2.665 50 0 FFAAHN CO[C@H]1C(=O)N(c2cccc(F)c2)C12CCN(Cc1ccc(O)cc1)CC2 ZINC000581803765 999947683 /nfs/dbraw/zinc/94/76/83/999947683.db2.gz YDUSGMLWLXSIKB-IBGZPJMESA-N 0 3 370.424 2.928 50 0 FFAAHN Cc1cnc(-c2ccncc2)n1[C@@H]1CCN(C(=O)CN2CCCCCC2)C1 ZINC000581808206 999948441 /nfs/dbraw/zinc/94/84/41/999948441.db2.gz YROZTUGXVVKRRQ-LJQANCHMSA-N 0 3 367.497 2.903 50 0 FFAAHN Cc1ncc(CO)c(C[N@H+]2CCC[C@@H](c3nc(CC(C)C)no3)C2)c1[O-] ZINC000952872372 1011005165 /nfs/dbraw/zinc/00/51/65/1011005165.db2.gz MSPSBOALSFKEBJ-CQSZACIVSA-N 0 3 360.458 2.549 50 0 FFAAHN Cc1ncc(CO)c(C[N@@H+]2CCC[C@@H](c3nc(CC(C)C)no3)C2)c1[O-] ZINC000952872372 1011005173 /nfs/dbraw/zinc/00/51/73/1011005173.db2.gz MSPSBOALSFKEBJ-CQSZACIVSA-N 0 3 360.458 2.549 50 0 FFAAHN CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2nnc3ccccc3c2[O-])C1 ZINC000111633612 1011327760 /nfs/dbraw/zinc/32/77/60/1011327760.db2.gz QZACUKHLQBRPIJ-CQSZACIVSA-N 0 3 356.470 2.554 50 0 FFAAHN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2nnc3ccccc3c2[O-])C1 ZINC000111633612 1011327771 /nfs/dbraw/zinc/32/77/71/1011327771.db2.gz QZACUKHLQBRPIJ-CQSZACIVSA-N 0 3 356.470 2.554 50 0 FFAAHN COc1ccc(CCN(CCn2cnnc2C)Cc2ccccn2)cc1 ZINC001506413663 1059504799 /nfs/dbraw/zinc/50/47/99/1059504799.db2.gz SRDLQFXEOMKTEB-UHFFFAOYSA-N 0 3 351.454 2.735 50 0 FFAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CNC[C@H]1CN(C2CC2)CCO1 ZINC000106380335 210137851 /nfs/dbraw/zinc/13/78/51/210137851.db2.gz OBAQYZFDFWSNRT-IBGZPJMESA-N 0 3 358.461 2.581 50 0 FFAAHN CN1CCN(CCCNC(=O)COc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000032818674 210102480 /nfs/dbraw/zinc/10/24/80/210102480.db2.gz RXNGCFBASAFABE-OAQYLSRUSA-N 0 3 367.493 2.560 50 0 FFAAHN COc1c(C)cc(NC(=O)N2CCC(CN3CCN(C)CC3)CC2)cc1C ZINC000299789868 210031606 /nfs/dbraw/zinc/03/16/06/210031606.db2.gz BDERLCXKBFXWJU-UHFFFAOYSA-N 0 3 374.529 2.803 50 0 FFAAHN Cc1ccc(CNC[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000012716824 220021760 /nfs/dbraw/zinc/02/17/60/220021760.db2.gz FDNQRWQDMWVLPG-NRFANRHFSA-N 0 3 356.441 2.777 50 0 FFAAHN CCC(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000058323483 212005173 /nfs/dbraw/zinc/00/51/73/212005173.db2.gz DHLSVSBQLBMIHP-PMACEKPBSA-N 0 3 371.525 2.663 50 0 FFAAHN CC(=O)Nc1nc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cs1 ZINC000058299577 212002932 /nfs/dbraw/zinc/00/29/32/212002932.db2.gz GHAOEIPDIONUMU-MRXNPFEDSA-N 0 3 372.494 2.744 50 0 FFAAHN CN(C)[C@@H](CNC(=S)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000013039886 220055568 /nfs/dbraw/zinc/05/55/68/220055568.db2.gz IXEMBFYLQZMDGZ-INIZCTEOSA-N 0 3 357.479 2.682 50 0 FFAAHN O=c1cc(CCn2cccn2)nc(-c2ccc(C[NH+]3CCCCC3)cc2)[n-]1 ZINC000048368540 211875118 /nfs/dbraw/zinc/87/51/18/211875118.db2.gz VYOFVYKVJZNSGL-UHFFFAOYSA-N 0 3 363.465 2.862 50 0 FFAAHN COc1ccc(CN[C@@H]2C[C@@H](C(=O)NC(C)C)N(C(C)C)C2)c(C)c1C ZINC000023374222 211386500 /nfs/dbraw/zinc/38/65/00/211386500.db2.gz MSGHGPYOEWEOSI-MOPGFXCFSA-N 0 3 361.530 2.778 50 0 FFAAHN CCOC(=O)C1=C(CN2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020283396 211273554 /nfs/dbraw/zinc/27/35/54/211273554.db2.gz DKTQTXSHRGRCCF-SPYBWZPUSA-N 0 3 371.481 2.836 50 0 FFAAHN COc1cc(CNCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000019550260 211229892 /nfs/dbraw/zinc/22/98/92/211229892.db2.gz AHUCQQCBIJURQA-UHFFFAOYSA-N 0 3 356.466 2.696 50 0 FFAAHN COc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)c(Cl)c1OC ZINC000093018209 250012221 /nfs/dbraw/zinc/01/22/21/250012221.db2.gz FODNUXIGTGSICE-HNNXBMFYSA-N 0 3 368.905 2.901 50 0 FFAAHN CC[C@H](Oc1ccc(Br)cc1)C(=O)NC1CCN(C)CC1 ZINC000016603386 211163404 /nfs/dbraw/zinc/16/34/04/211163404.db2.gz VQTMYJLNTVHMHN-HNNXBMFYSA-N 0 3 355.276 2.817 50 0 FFAAHN CCc1ccc(N2CC[C@@H](C(=O)NCCN3CCCCCC3)C2=O)cc1 ZINC000015782626 211142375 /nfs/dbraw/zinc/14/23/75/211142375.db2.gz UYPYXDHNNVTNNX-IBGZPJMESA-N 0 3 357.498 2.594 50 0 FFAAHN CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000015773223 211141076 /nfs/dbraw/zinc/14/10/76/211141076.db2.gz RMBBLCSQIXUXCD-OAQYLSRUSA-N 0 3 365.477 2.603 50 0 FFAAHN COc1ccc(CCN2C[C@H](NC3Cc4ccccc4C3)CC2=O)cc1 ZINC000015065022 211117554 /nfs/dbraw/zinc/11/75/54/211117554.db2.gz AEDUCDNMCQDJOA-HXUWFJFHSA-N 0 3 350.462 2.596 50 0 FFAAHN Cc1cccc2cc(CN(CCN(C)C)C(=O)C3CC3)c(N(C)C)nc12 ZINC000015069502 211116922 /nfs/dbraw/zinc/11/69/22/211116922.db2.gz FZQWZPRHWIVAPJ-UHFFFAOYSA-N 0 3 354.498 2.909 50 0 FFAAHN CN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000014540586 211095450 /nfs/dbraw/zinc/09/54/50/211095450.db2.gz NQGADZVGTKMOCE-UHFFFAOYSA-N 0 3 370.478 2.572 50 0 FFAAHN COc1cc(CNC(C)(C)CO)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731349 211053052 /nfs/dbraw/zinc/05/30/52/211053052.db2.gz XICAXIOSXUOWSA-UHFFFAOYSA-N 0 3 372.465 2.882 50 0 FFAAHN CC[C@@H](C(=O)NCCN(C)C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799265 210703355 /nfs/dbraw/zinc/70/33/55/210703355.db2.gz VMTMOGSNEZNRIA-AWEZNQCLSA-N 0 3 372.494 2.549 50 0 FFAAHN C[C@H](C(=O)NCCN(C)C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000002780354 210421704 /nfs/dbraw/zinc/42/17/04/210421704.db2.gz WYFQTJMKFHJVLG-MRVPVSSYSA-N 0 3 352.788 2.672 50 0 FFAAHN Clc1cc(CNCCc2nnc3ccccn32)cc2c1OCCCO2 ZINC000021866299 220368894 /nfs/dbraw/zinc/36/88/94/220368894.db2.gz KHVZUQZKAXDOAW-UHFFFAOYSA-N 0 3 358.829 2.876 50 0 FFAAHN Cc1nc(C2(S(=O)(=O)c3ccccc3)CC2)n(-c2ccnc(C)c2)n1 ZINC000065372496 221205204 /nfs/dbraw/zinc/20/52/04/221205204.db2.gz OEZJOIHKRIORFU-UHFFFAOYSA-N 0 3 354.435 2.742 50 0 FFAAHN Cc1ccc(N2CC(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1 ZINC000067340762 221252769 /nfs/dbraw/zinc/25/27/69/221252769.db2.gz KTHASJPLEHZRKM-LJQANCHMSA-N 0 3 370.474 2.911 50 0 FFAAHN COc1ccccc1-c1cn2c(C(=O)N[C@@H](C)CN(C)C)csc2n1 ZINC000067515101 221258250 /nfs/dbraw/zinc/25/82/50/221258250.db2.gz YZTZVNJCOYAZPQ-LBPRGKRZSA-N 0 3 358.467 2.751 50 0 FFAAHN COc1ccccc1-c1cn2c(C(=O)N[C@H](C)CN(C)C)csc2n1 ZINC000067515104 221258449 /nfs/dbraw/zinc/25/84/49/221258449.db2.gz YZTZVNJCOYAZPQ-GFCCVEGCSA-N 0 3 358.467 2.751 50 0 FFAAHN CCn1c(=O)n(C)nc1[C@@H]1CCCN(Cc2ccc(C)c3ncccc23)C1 ZINC000067713037 221275536 /nfs/dbraw/zinc/27/55/36/221275536.db2.gz XSSRCGQOPAGZHR-QGZVFWFLSA-N 0 3 365.481 2.838 50 0 FFAAHN O=C1N(CCc2ccccc2)CCC[C@]1(O)CNCc1ccc(F)cc1 ZINC000067695562 221273535 /nfs/dbraw/zinc/27/35/35/221273535.db2.gz QHSAEVBIXUVCMP-NRFANRHFSA-N 0 3 356.441 2.512 50 0 FFAAHN CC(C)(N)C(=O)N1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067757805 221282235 /nfs/dbraw/zinc/28/22/35/221282235.db2.gz UKGKNOVOVNXHBU-UHFFFAOYSA-N 0 3 361.829 2.566 50 0 FFAAHN C[C@H](N)C(=O)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067895747 221302420 /nfs/dbraw/zinc/30/24/20/221302420.db2.gz QNLMELVPTNEIPY-HNNXBMFYSA-N 0 3 360.461 2.822 50 0 FFAAHN COc1ncccc1C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071639299 221353906 /nfs/dbraw/zinc/35/39/06/221353906.db2.gz DBPAWXBIYUJULW-XUVXKRRUSA-N 0 3 363.461 2.793 50 0 FFAAHN CC(C)[C@H]1CN(CCn2cccn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071738719 221356500 /nfs/dbraw/zinc/35/65/00/221356500.db2.gz MIJLFUMHZFXYCX-LJQANCHMSA-N 0 3 358.461 2.781 50 0 FFAAHN CCC[NH+](CCC)Cc1ccc(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc1 ZINC000071764344 221371802 /nfs/dbraw/zinc/37/18/02/221371802.db2.gz XBCFTCMAHHHKPY-UHFFFAOYSA-N 0 3 368.481 2.590 50 0 FFAAHN Cc1cc(N2CCN(C(=O)c3ccc4sccc4c3)CC2)nc(N)n1 ZINC000091876657 132204502 /nfs/dbraw/zinc/20/45/02/132204502.db2.gz BIKDVQJALWDTSX-UHFFFAOYSA-N 0 3 353.451 2.544 50 0 FFAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ccncc1F)C2 ZINC000096161119 132221112 /nfs/dbraw/zinc/22/11/12/132221112.db2.gz DRWSYZTVUXUQAR-HLIPFELVSA-N 0 3 363.477 2.565 50 0 FFAAHN CN(C)CCN1C[C@]2(CCCN(c3ncc(Cl)cc3F)C2)CCC1=O ZINC000072476832 136149403 /nfs/dbraw/zinc/14/94/03/136149403.db2.gz IKUCGHIGXTVQLM-SFHVURJKSA-N 0 3 368.884 2.645 50 0 FFAAHN O=C(Nc1ccc(-n2ccnc2)cc1)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000096131713 222036898 /nfs/dbraw/zinc/03/68/98/222036898.db2.gz DHUOHRZIUPYAOM-LJQANCHMSA-N 0 3 369.469 2.637 50 0 FFAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000096153714 222054530 /nfs/dbraw/zinc/05/45/30/222054530.db2.gz GHNOJICCFPQPLM-GOSISDBHSA-N 0 3 366.461 2.986 50 0 FFAAHN Cc1nc2c(c(NCCCN3CCC[C@H](O)C3)n1)Cc1ccccc1OC2 ZINC000097532400 222189322 /nfs/dbraw/zinc/18/93/22/222189322.db2.gz FEGUZNFDULENDJ-KRWDZBQOSA-N 0 3 368.481 2.527 50 0 FFAAHN O=C(c1ccn2cnnc2c1)N1CCCN(CCCc2ccccc2)CC1 ZINC000097447009 222181790 /nfs/dbraw/zinc/18/17/90/222181790.db2.gz NHCMFFSMBRSVMR-UHFFFAOYSA-N 0 3 363.465 2.510 50 0 FFAAHN CN1CCC(O)(C(=O)NCC(C)(c2ccccc2)c2ccccc2)CC1 ZINC000097696179 222205917 /nfs/dbraw/zinc/20/59/17/222205917.db2.gz HHVAHYGRTLBYNX-UHFFFAOYSA-N 0 3 352.478 2.566 50 0 FFAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)CCc2csc(N)n2)C1 ZINC000097729824 222208922 /nfs/dbraw/zinc/20/89/22/222208922.db2.gz OWDGYQDFQPVJFH-OAHLLOKOSA-N 0 3 358.511 2.572 50 0 FFAAHN CC(C)=CCN1CCN(Cc2cccc(-n3cccn3)c2)C[C@H]1CCO ZINC000104300535 222356236 /nfs/dbraw/zinc/35/62/36/222356236.db2.gz YWLAPFXUFIWXSP-OAQYLSRUSA-N 0 3 354.498 2.707 50 0 FFAAHN O=C(NCc1cccnc1)c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1 ZINC000065256230 506277428 /nfs/dbraw/zinc/27/74/28/506277428.db2.gz UYLOGVVRAQXGCD-HXUWFJFHSA-N 0 3 373.460 2.558 50 0 FFAAHN CN(C)[C@@H](CNC(=O)CSc1nnc(-c2ccco2)o1)c1ccccc1 ZINC000002623669 506285034 /nfs/dbraw/zinc/28/50/34/506285034.db2.gz MCOGYJKVEWZQRB-AWEZNQCLSA-N 0 3 372.450 2.841 50 0 FFAAHN CN(CCNC(=O)c1ccc(N2CCCC2=O)cc1)CCc1ccccc1 ZINC000003055641 506310143 /nfs/dbraw/zinc/31/01/43/506310143.db2.gz QPQOZNJHRZODKL-UHFFFAOYSA-N 0 3 365.477 2.718 50 0 FFAAHN CCCC[C@H](O)C[N@@H+]1CCc2nc(Cc3ccccc3C)[n-]c(=O)c2C1 ZINC000004155577 506361887 /nfs/dbraw/zinc/36/18/87/506361887.db2.gz DNDLRUMQHLXPLZ-KRWDZBQOSA-N 0 3 355.482 2.578 50 0 FFAAHN CCCC[C@H](O)C[N@H+]1CCc2nc(Cc3ccccc3C)[n-]c(=O)c2C1 ZINC000004155577 506361897 /nfs/dbraw/zinc/36/18/97/506361897.db2.gz DNDLRUMQHLXPLZ-KRWDZBQOSA-N 0 3 355.482 2.578 50 0 FFAAHN COc1cc(CNC(C)(C)CO)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000004223004 506366311 /nfs/dbraw/zinc/36/63/11/506366311.db2.gz TTYDULNTPOFURF-UHFFFAOYSA-N 0 3 372.893 2.503 50 0 FFAAHN COc1cc(Cl)c(C)cc1NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000040099142 506467093 /nfs/dbraw/zinc/46/70/93/506467093.db2.gz ARBZLGUNANZVRG-ZDUSSCGKSA-N 0 3 355.866 2.625 50 0 FFAAHN CN(C)Cc1ccccc1CNC(=O)CCCn1c2ccccc2oc1=O ZINC000006992863 506523666 /nfs/dbraw/zinc/52/36/66/506523666.db2.gz HPUGHBVIFBINFE-UHFFFAOYSA-N 0 3 367.449 2.753 50 0 FFAAHN CCN1CCN(c2ccc(NC(=O)CN(C)Cc3ccccc3)cc2)CC1 ZINC000007340160 506554875 /nfs/dbraw/zinc/55/48/75/506554875.db2.gz HRKONLUQPSTFPC-UHFFFAOYSA-N 0 3 366.509 2.899 50 0 FFAAHN CCN1CCN(c2ccc(NC(=O)Cc3cn4ccsc4n3)cc2)CC1 ZINC000008778545 506669371 /nfs/dbraw/zinc/66/93/71/506669371.db2.gz FRUAGVZPXQUPKY-UHFFFAOYSA-N 0 3 369.494 2.719 50 0 FFAAHN CC(C)Cc1nc(CN(C)C(=O)[C@@H]2CCCN(Cc3ccco3)C2)no1 ZINC000055253695 506710522 /nfs/dbraw/zinc/71/05/22/506710522.db2.gz GCMZOONNJMNEDU-OAHLLOKOSA-N 0 3 360.458 2.732 50 0 FFAAHN COCCSc1nnc(C2CCN(Cc3ccsc3)CC2)n1C ZINC000011815636 506794981 /nfs/dbraw/zinc/79/49/81/506794981.db2.gz PKXGOVLKALSNGG-UHFFFAOYSA-N 0 3 352.529 2.995 50 0 FFAAHN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2cnn(C)c2)C1 ZINC000012000086 506807800 /nfs/dbraw/zinc/80/78/00/506807800.db2.gz RHRFWZJUTOJPCR-OAQYLSRUSA-N 0 3 371.481 2.817 50 0 FFAAHN CCCC[C@@H]1CN(CCC(=O)NCC(C)(C)CO)Cc2ccccc2O1 ZINC000012191719 506832377 /nfs/dbraw/zinc/83/23/77/506832377.db2.gz LVHOOQNOJCRSMG-GOSISDBHSA-N 0 3 362.514 2.965 50 0 FFAAHN Cc1cc(N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)nc(N)n1 ZINC000012299292 506845759 /nfs/dbraw/zinc/84/57/59/506845759.db2.gz SRGMABPNDVWUDO-HNNXBMFYSA-N 0 3 371.460 2.819 50 0 FFAAHN CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)CCN3CCCO3)C2)cc1 ZINC000012704282 506889887 /nfs/dbraw/zinc/88/98/87/506889887.db2.gz QEQICQUZFMQMII-OAQYLSRUSA-N 0 3 373.541 2.993 50 0 FFAAHN O=C(Nc1ccccc1)[C@@H]1CCCN(C[C@H](O)c2ccc3c(c2)OCO3)C1 ZINC000058105312 507371838 /nfs/dbraw/zinc/37/18/38/507371838.db2.gz IVBVUMFCBFHJJO-AEFFLSMTSA-N 0 3 368.433 2.799 50 0 FFAAHN CC(C)(C)CC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058178393 507380278 /nfs/dbraw/zinc/38/02/78/507380278.db2.gz MWMLWORQXCJSIB-SFHVURJKSA-N 0 3 358.530 2.878 50 0 FFAAHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1COc2ccccc2O1 ZINC000058185779 507382388 /nfs/dbraw/zinc/38/23/88/507382388.db2.gz CAEFMVREOBQSIA-HNAYVOBHSA-N 0 3 372.490 2.916 50 0 FFAAHN Cc1ccc([C@@H](CNC(=O)[C@@H](C)NC(=O)c2cccs2)N(C)C)cc1 ZINC000058195637 507383377 /nfs/dbraw/zinc/38/33/77/507383377.db2.gz LWXXNYPMMUJZGE-GDBMZVCRSA-N 0 3 359.495 2.594 50 0 FFAAHN CN1CCc2nc(NC(=O)c3cccc(CN4CCCC4)c3)sc2C1 ZINC000058215997 507387034 /nfs/dbraw/zinc/38/70/34/507387034.db2.gz JNSIWTHVDBIKAT-UHFFFAOYSA-N 0 3 356.495 2.979 50 0 FFAAHN COC(=O)N(C)CC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000058223951 507390246 /nfs/dbraw/zinc/39/02/46/507390246.db2.gz LNEKFOUNKZCWOV-UHFFFAOYSA-N 0 3 369.465 2.730 50 0 FFAAHN Cc1cc(C)cc(OCC(=O)NCC2(N3CCN(C)CC3)CCCCC2)c1 ZINC000027742157 507680395 /nfs/dbraw/zinc/68/03/95/507680395.db2.gz JEADGTNDAAGRBL-UHFFFAOYSA-N 0 3 373.541 2.749 50 0 FFAAHN C[C@H](NCC1(N2CCOCC2)CCCCC1)C(=O)Nc1cccc(F)c1 ZINC000028893230 507749846 /nfs/dbraw/zinc/74/98/46/507749846.db2.gz FDRBNDBZWVNHRS-INIZCTEOSA-N 0 3 363.477 2.777 50 0 FFAAHN COc1c(C)cc(C(=O)N2CCC[C@@H](N3CCC(CO)CC3)C2)cc1C ZINC000072133415 507755586 /nfs/dbraw/zinc/75/55/86/507755586.db2.gz CCYVIKYRRBHSGD-LJQANCHMSA-N 0 3 360.498 2.621 50 0 FFAAHN COc1cccc([C@@H]2CN(C(=O)C3CCOCC3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072146518 507758626 /nfs/dbraw/zinc/75/86/26/507758626.db2.gz QEVNDCGERUTHQK-PWRODBHTSA-N 0 3 370.493 2.510 50 0 FFAAHN CCCCN(CC)CC1=NC(=O)N[C@@H](c2ccc(C)cc2)C1C(=O)OC ZINC000051318288 507761738 /nfs/dbraw/zinc/76/17/38/507761738.db2.gz YXHCGPGUUSKHBI-SFHVURJKSA-N 0 3 359.470 2.898 50 0 FFAAHN CCCCN(CC)CC1=C(C(=O)OC)[C@H](c2ccc(C)cc2)NC(=O)N1 ZINC000051318288 507761741 /nfs/dbraw/zinc/76/17/41/507761741.db2.gz YXHCGPGUUSKHBI-SFHVURJKSA-N 0 3 359.470 2.898 50 0 FFAAHN CCn1cc(S(=O)(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)c(C)n1 ZINC000072167450 507767879 /nfs/dbraw/zinc/76/78/79/507767879.db2.gz RJMQKAGTVLCWKN-MRXNPFEDSA-N 0 3 368.547 2.677 50 0 FFAAHN Cc1ccc([C@H]2CN(C(=O)c3ccnc(N)c3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072170173 507769047 /nfs/dbraw/zinc/76/90/47/507769047.db2.gz MLGORCWBCQXIIL-HMXCVIKNSA-N 0 3 362.477 2.675 50 0 FFAAHN O=C(CCc1cc2n(n1)CCCNC2)N1CCCC[C@@H]1c1nccs1 ZINC000072419404 507786663 /nfs/dbraw/zinc/78/66/63/507786663.db2.gz PFYDCXINIGMBRV-MRXNPFEDSA-N 0 3 359.499 2.519 50 0 FFAAHN COc1ccc(CN2CCC([C@@H](C)N3CCOCC3)CC2)c(F)c1F ZINC000072422921 507787885 /nfs/dbraw/zinc/78/78/85/507787885.db2.gz LFELNSSZURZOKL-CQSZACIVSA-N 0 3 354.441 2.906 50 0 FFAAHN CCN1C[C@@]2(CCCN(Cc3cc(=O)c4ccccc4[nH]3)C2)CCC1=O ZINC000072425917 507788333 /nfs/dbraw/zinc/78/83/33/507788333.db2.gz SBUBIZAKWBNNDY-NRFANRHFSA-N 0 3 353.466 2.753 50 0 FFAAHN COCCCN(C(=O)Cc1cn(C)c2ccccc12)C1CCN(C)CC1 ZINC000072426154 507788442 /nfs/dbraw/zinc/78/84/42/507788442.db2.gz VMSBPDKRQLMGAK-UHFFFAOYSA-N 0 3 357.498 2.680 50 0 FFAAHN CC(C)(O)CCc1ccc(C(=O)N2CCCO[C@H](CN3CCCC3)C2)cc1 ZINC000072426583 507788645 /nfs/dbraw/zinc/78/86/45/507788645.db2.gz BJISOURDGBGQNZ-HXUWFJFHSA-N 0 3 374.525 2.717 50 0 FFAAHN COc1cc(F)c(C(=O)N2CCC([C@H](C)N3CCOCC3)CC2)c(F)c1 ZINC000072428837 507788921 /nfs/dbraw/zinc/78/89/21/507788921.db2.gz QZIVYVRYYFHAOU-ZDUSSCGKSA-N 0 3 368.424 2.546 50 0 FFAAHN Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CC[C@H]1[NH2+]C1CCCCCCC1 ZINC000072433726 507790221 /nfs/dbraw/zinc/79/02/21/507790221.db2.gz VABXCWQLXHFXKK-CVEARBPZSA-N 0 3 355.504 2.803 50 0 FFAAHN O=C(c1cccc2ccnn21)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072468636 507794510 /nfs/dbraw/zinc/79/45/10/507794510.db2.gz QQWYWWWWLXGSLB-UHFFFAOYSA-N 0 3 360.461 2.997 50 0 FFAAHN C[C@@H]1CN(C2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)C[C@H](C)O1 ZINC000072477702 507796606 /nfs/dbraw/zinc/79/66/06/507796606.db2.gz AORNGCSTYHNHJW-CALCHBBNSA-N 0 3 368.481 2.586 50 0 FFAAHN NC(=O)CCN(C(=O)CN1CCC[C@H]1C1CCCCC1)c1ccccc1 ZINC000052131770 507798459 /nfs/dbraw/zinc/79/84/59/507798459.db2.gz CWCBQQLELJKYOX-IBGZPJMESA-N 0 3 357.498 2.940 50 0 FFAAHN COc1ccc(S(=O)(=O)NC[C@@H]2CCCN2CC(C)C)c(C)c1C ZINC000089505538 507843782 /nfs/dbraw/zinc/84/37/82/507843782.db2.gz DORFYPDCXOWJHV-INIZCTEOSA-N 0 3 354.516 2.711 50 0 FFAAHN COc1cc(SC)c(OC)cc1CN1CC[C@@]2(C1)CCCN(C)C2=O ZINC000091270307 507977975 /nfs/dbraw/zinc/97/79/75/507977975.db2.gz PSUHITFAMDYKGQ-LJQANCHMSA-N 0 3 364.511 2.870 50 0 FFAAHN CN1CCN(Cc2ccc(Cl)c(F)c2)C[C@@]12CCC(=O)N(C)CC2 ZINC000091350833 507982433 /nfs/dbraw/zinc/98/24/33/507982433.db2.gz VWRAGNHKPJUGLL-SFHVURJKSA-N 0 3 353.869 2.608 50 0 FFAAHN O=c1cc(CN2CCC(N3CCSCC3)CC2)[nH]c2ccc(F)cc12 ZINC000091416756 507984228 /nfs/dbraw/zinc/98/42/28/507984228.db2.gz DISWPQJURUVOQW-UHFFFAOYSA-N 0 3 361.486 2.680 50 0 FFAAHN O=C(NC1CCN(Cc2cccs2)CC1)c1cc(=O)[nH]c2ccccc21 ZINC000091655848 508000165 /nfs/dbraw/zinc/00/01/65/508000165.db2.gz BUOJDYIVFWNBTF-UHFFFAOYSA-N 0 3 367.474 2.984 50 0 FFAAHN O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(CCc1ccccc1)CC2 ZINC000091779684 508012577 /nfs/dbraw/zinc/01/25/77/508012577.db2.gz HPPBRKZFVWRZKR-UHFFFAOYSA-N 0 3 364.493 2.738 50 0 FFAAHN Cc1ccnn1CCC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000091818864 508015589 /nfs/dbraw/zinc/01/55/89/508015589.db2.gz JWPWNEZZGPBFQY-WOJBJXKFSA-N 0 3 352.482 2.705 50 0 FFAAHN Cc1ccc(CN2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)c(C)c1 ZINC000091965771 508028008 /nfs/dbraw/zinc/02/80/08/508028008.db2.gz XGNZCVZUIPZSCG-IFMALSPDSA-N 0 3 356.510 2.889 50 0 FFAAHN Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)c(=O)[nH]1 ZINC000091997890 508031304 /nfs/dbraw/zinc/03/13/04/508031304.db2.gz OZTDHQOOOWYRGK-RTBURBONSA-N 0 3 365.477 2.728 50 0 FFAAHN CC(=O)N[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)C[C@H]1c1ccc(C)o1 ZINC000092077753 508040518 /nfs/dbraw/zinc/04/05/18/508040518.db2.gz USDNHOFTTWUMPK-WOJBJXKFSA-N 0 3 364.449 2.878 50 0 FFAAHN COC(=O)C1CCN(CCCN(Cc2ccccc2)C[C@H]2CCCO2)CC1 ZINC000095448104 508186057 /nfs/dbraw/zinc/18/60/57/508186057.db2.gz KUKYCKUFPTWXHB-OAQYLSRUSA-N 0 3 374.525 2.943 50 0 FFAAHN NC(=O)Cn1ccnc1[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000095504390 508191203 /nfs/dbraw/zinc/19/12/03/508191203.db2.gz HZWVJFAVXNQOBT-CQSZACIVSA-N 0 3 366.387 2.767 50 0 FFAAHN CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)c1ccnnc1 ZINC000095507163 508191809 /nfs/dbraw/zinc/19/18/09/508191809.db2.gz CZCWNFLRUKCBMY-UHFFFAOYSA-N 0 3 356.445 2.642 50 0 FFAAHN C[C@@H](CNC(=O)Nc1ccc(OC2CCN(C)CC2)cc1)n1ccnc1 ZINC000095506188 508192203 /nfs/dbraw/zinc/19/22/03/508192203.db2.gz MMVHWOAOXTVAJV-HNNXBMFYSA-N 0 3 357.458 2.739 50 0 FFAAHN Cc1nc(C2CCN(C(=O)C3([NH+]4CCCC4)CCCC3)CC2)cc(=O)[n-]1 ZINC000082087486 508224887 /nfs/dbraw/zinc/22/48/87/508224887.db2.gz MZNSZACVUGCGMV-UHFFFAOYSA-N 0 3 358.486 2.605 50 0 FFAAHN O=C1CC[C@]2(CCCN(Cc3ccc(Cl)cc3)C2)CN1CCCO ZINC000082170729 508227715 /nfs/dbraw/zinc/22/77/15/508227715.db2.gz YJRYKJUGOVCUDJ-IBGZPJMESA-N 0 3 350.890 2.927 50 0 FFAAHN CCc1ccc(CNc2nn3c([n-]2)nc(C[NH+]2CCCCC2)cc3=O)cc1 ZINC000101796945 508257454 /nfs/dbraw/zinc/25/74/54/508257454.db2.gz HGJSTDNWZPRZJS-UHFFFAOYSA-N 0 3 366.469 2.578 50 0 FFAAHN COc1ccc2[nH]nc(CN3CCCC[C@H]3CCN3CCOCC3)c2c1 ZINC000077406272 508312029 /nfs/dbraw/zinc/31/20/29/508312029.db2.gz JACATUBHPMZHHP-INIZCTEOSA-N 0 3 358.486 2.648 50 0 FFAAHN COc1ccc2n[nH]c(CN3CCCC[C@H]3CCN3CCOCC3)c2c1 ZINC000077406272 508312032 /nfs/dbraw/zinc/31/20/32/508312032.db2.gz JACATUBHPMZHHP-INIZCTEOSA-N 0 3 358.486 2.648 50 0 FFAAHN COc1ncccc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000077506078 508324943 /nfs/dbraw/zinc/32/49/43/508324943.db2.gz OESUHTNDQVGOKQ-UHFFFAOYSA-N 0 3 353.466 2.871 50 0 FFAAHN O=C(CCCCc1ccccc1)N1CCN([C@H]2CN3CCC2CC3)CC1 ZINC000077521778 508327864 /nfs/dbraw/zinc/32/78/64/508327864.db2.gz VQUSAINPJKCOTQ-NRFANRHFSA-N 0 3 355.526 2.638 50 0 FFAAHN COc1ccccc1-c1cccc(NC(=O)NCC2(O)CCN(C)CC2)c1 ZINC000077712095 508356695 /nfs/dbraw/zinc/35/66/95/508356695.db2.gz BOGFRIFKXDGGEO-UHFFFAOYSA-N 0 3 369.465 2.940 50 0 FFAAHN CCc1nn(C)c(Cl)c1CN1CCN(C2Cc3ccccc3C2)CC1 ZINC000215243991 509246770 /nfs/dbraw/zinc/24/67/70/509246770.db2.gz WBALDNVGXWXCAG-UHFFFAOYSA-N 0 3 358.917 2.921 50 0 FFAAHN CN1CCN2CCN(Cc3ccccc3OCCc3ccccc3)C[C@@H]2C1 ZINC000216332325 509259729 /nfs/dbraw/zinc/25/97/29/509259729.db2.gz ZKJOFEBRLCVCKC-QFIPXVFZSA-N 0 3 365.521 2.740 50 0 FFAAHN O=C(COc1ccc2ccccc2c1)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000218895205 509281776 /nfs/dbraw/zinc/28/17/76/509281776.db2.gz UUQSQQDVJZHTQE-OAQYLSRUSA-N 0 3 368.477 2.978 50 0 FFAAHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 ZINC000222058159 509311098 /nfs/dbraw/zinc/31/10/98/509311098.db2.gz YAINDUZPDCUSGM-GXTWGEPZSA-N 0 3 372.391 2.971 50 0 FFAAHN O=C(CN1CCCCCCC1)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 ZINC000223918529 509351246 /nfs/dbraw/zinc/35/12/46/509351246.db2.gz YKGVCAQNACGNKH-OBFZPWGMSA-N 0 3 372.509 2.816 50 0 FFAAHN C[C@H]1CN([C@@H](CNCc2cncn2C)c2c(F)cccc2Cl)CCO1 ZINC000237650028 509701691 /nfs/dbraw/zinc/70/16/91/509701691.db2.gz JDMLCLQTZMGLSC-GUYCJALGSA-N 0 3 366.868 2.764 50 0 FFAAHN Cc1ccccc1-n1ncc(C(=O)N2CCCNCC2)c1C(F)(F)F ZINC000237736479 509722861 /nfs/dbraw/zinc/72/28/61/509722861.db2.gz ZTNLHPQXYAKGRU-UHFFFAOYSA-N 0 3 352.360 2.635 50 0 FFAAHN O=C(CCN1CCCC[C@@H]1c1ccccn1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000243956719 509856382 /nfs/dbraw/zinc/85/63/82/509856382.db2.gz CCPISCXIWRCGRI-GOSISDBHSA-N 0 3 365.437 2.807 50 0 FFAAHN O=C(NCCN1CCC(c2ccccc2)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000244899598 509877365 /nfs/dbraw/zinc/87/73/65/509877365.db2.gz ZMPHCCSLGZWPSO-FQEVSTJZSA-N 0 3 356.441 2.855 50 0 FFAAHN Cn1cc(CN2C[C@@H](CO)[C@H](c3nc(C4CC4)no3)C2)c2ccccc21 ZINC000257181907 509948792 /nfs/dbraw/zinc/94/87/92/509948792.db2.gz GASCDFQTEZGHMO-DOTOQJQBSA-N 0 3 352.438 2.647 50 0 FFAAHN CN(Cc1nncn1C)C(=O)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000426442979 513942755 /nfs/dbraw/zinc/94/27/55/513942755.db2.gz PVRPLZHKTFOKGP-GOSISDBHSA-N 0 3 370.501 2.574 50 0 FFAAHN O=C(NCCCN1CCC[C@@H](O)C1)N(Cc1ccccc1)C1CCCC1 ZINC000426667127 514010036 /nfs/dbraw/zinc/01/00/36/514010036.db2.gz RQHKCPIXSAAZGL-HXUWFJFHSA-N 0 3 359.514 2.988 50 0 FFAAHN CC(C)C[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)c1ncnn1C ZINC000534653759 517985457 /nfs/dbraw/zinc/98/54/57/517985457.db2.gz GGVLDIMQBXUORE-QGZVFWFLSA-N 0 3 362.522 2.562 50 0 FFAAHN O=C(NCC1CCN([C@H]2CCOC2)CC1)c1cc(-c2ccccc2)on1 ZINC000575606689 518233473 /nfs/dbraw/zinc/23/34/73/518233473.db2.gz LEABDCJPYZZOAH-KRWDZBQOSA-N 0 3 355.438 2.572 50 0 FFAAHN Cc1ccc([C@@H](NC(=O)NCC2(O)CCN(C)CC2)c2cccs2)cc1 ZINC000584886689 518523515 /nfs/dbraw/zinc/52/35/15/518523515.db2.gz XPRGLMGDWXDOAA-GOSISDBHSA-N 0 3 373.522 2.902 50 0 FFAAHN CCCN1CCCn2nc(CNC(=O)C3(c4ccccc4F)CC3)cc2C1 ZINC000082116163 519854818 /nfs/dbraw/zinc/85/48/18/519854818.db2.gz NSKFDSZAQMRYEK-UHFFFAOYSA-N 0 3 370.472 2.986 50 0 FFAAHN NCc1ccc(-c2cnc(N3CCC(O)CC3)nc2)cc1C(F)(F)F ZINC000629763729 522444209 /nfs/dbraw/zinc/44/42/09/522444209.db2.gz WUNWZDSGSPKLTF-UHFFFAOYSA-N 0 3 352.360 2.582 50 0 FFAAHN COc1cc(CNCCN2CCOCC2)ccc1OCc1ccc(F)cc1 ZINC000019872204 522451367 /nfs/dbraw/zinc/45/13/67/522451367.db2.gz YSRDGXLCASBVLJ-UHFFFAOYSA-N 0 3 374.456 2.835 50 0 FFAAHN COc1cc(OC)c(OC)cc1CN[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000020994613 522826503 /nfs/dbraw/zinc/82/65/03/522826503.db2.gz VSDOSLBSQWVDPZ-GOSISDBHSA-N 0 3 371.481 2.862 50 0 FFAAHN CCn1c(CN2CCCC2)nnc1C1CCN(Cc2cccc(C)n2)CC1 ZINC000082097376 523187424 /nfs/dbraw/zinc/18/74/24/523187424.db2.gz VDJBGLFBAYYKEO-UHFFFAOYSA-N 0 3 368.529 2.977 50 0 FFAAHN CCn1nc(C)c(C(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)c1C ZINC000082156686 523626166 /nfs/dbraw/zinc/62/61/66/523626166.db2.gz UFMQIKXAWMBQOW-UHFFFAOYSA-N 0 3 372.517 2.508 50 0 FFAAHN Cc1cc(C)n(Cc2cccc(C(=O)N3C[C@H]4CC[C@@H]3CN(C)C4)c2)n1 ZINC000091452241 524540367 /nfs/dbraw/zinc/54/03/67/524540367.db2.gz OPJSZDLGISPVLD-AZUAARDMSA-N 0 3 352.482 2.714 50 0 FFAAHN Cc1ccccc1CN1CCN(Cc2cc(C(C)C)[nH]n2)C[C@@H]1CCO ZINC000020877541 525143720 /nfs/dbraw/zinc/14/37/20/525143720.db2.gz SZCSOVIQWLDELH-FQEVSTJZSA-N 0 3 356.514 2.910 50 0 FFAAHN Cc1ccsc1CN1CCC(c2nnc(Cn3cccn3)n2C)CC1 ZINC000091416753 525843942 /nfs/dbraw/zinc/84/39/42/525843942.db2.gz SKPXHNKXKSOFQG-UHFFFAOYSA-N 0 3 356.499 2.809 50 0 FFAAHN COc1cccc(CN2CCN(CCC(C)C)[C@@H](CCO)C2)c1OC ZINC000020909583 525945960 /nfs/dbraw/zinc/94/59/60/525945960.db2.gz BOQIVBYHWOTKLB-SFHVURJKSA-N 0 3 350.503 2.619 50 0 FFAAHN NC(=O)C[C@@H]1CCCCN1C(=O)c1cccc(CN2CCCCCC2)c1 ZINC000020256062 526904384 /nfs/dbraw/zinc/90/43/84/526904384.db2.gz OCFDQVYULNBYEH-IBGZPJMESA-N 0 3 357.498 2.933 50 0 FFAAHN O=C1C[C@@H](NCc2cccn2-c2ccccn2)CN1Cc1ccc(F)cc1 ZINC000020865007 527019406 /nfs/dbraw/zinc/01/94/06/527019406.db2.gz KLCBNXHVCMLKIR-GOSISDBHSA-N 0 3 364.424 2.902 50 0 FFAAHN O=C1C[C@H](NCCc2ccc(Cl)cc2)C(=O)N1CCc1ccccc1 ZINC000020191729 527029524 /nfs/dbraw/zinc/02/95/24/527029524.db2.gz QDMRYMPYKXJHMO-SFHVURJKSA-N 0 3 356.853 2.842 50 0 FFAAHN O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C[C@H]2CCCO2)C1 ZINC000247741803 527159725 /nfs/dbraw/zinc/15/97/25/527159725.db2.gz OFIFYUIAHUQNPE-GXTWGEPZSA-N 0 3 368.275 2.674 50 0 FFAAHN COCCCN(C)Cc1cc2cc(C)ccc2nc1N1CCC[C@@H](O)C1 ZINC000072422525 536511555 /nfs/dbraw/zinc/51/15/55/536511555.db2.gz OTHKXKJOVFGTLR-LJQANCHMSA-N 0 3 357.498 2.973 50 0 FFAAHN O=C(NC1CCN(C2CC2)CC1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000045137445 570906131 /nfs/dbraw/zinc/90/61/31/570906131.db2.gz SCCHAOQZNPRBJJ-UHFFFAOYSA-N 0 3 355.482 2.918 50 0 FFAAHN C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1 ZINC000084692283 571096834 /nfs/dbraw/zinc/09/68/34/571096834.db2.gz HDTUAKCFVKJSMW-YPMHNXCESA-N 0 3 355.891 2.885 50 0 FFAAHN C[C@@H](C1CCN(Cc2ccc([O-])cc2Cl)CC1)[NH+]1CCN(C)CC1 ZINC000077355659 571140146 /nfs/dbraw/zinc/14/01/46/571140146.db2.gz XHCXFSVJFNJSSZ-HNNXBMFYSA-N 0 3 351.922 2.894 50 0 FFAAHN Cc1nc([C@@H]2CCCN(Cc3cnc(-c4ccco4)nc3)C2)cc(=O)[nH]1 ZINC000072146078 571173324 /nfs/dbraw/zinc/17/33/24/571173324.db2.gz KYIDRQDAGXULIE-OAHLLOKOSA-N 0 3 351.410 2.508 50 0 FFAAHN Cc1nc2ncccn2c1C(=O)NCCN1CC[C@@H](c2ccccc2C)C1 ZINC000670462631 571357149 /nfs/dbraw/zinc/35/71/49/571357149.db2.gz ZHGITEXOTWMYAY-QGZVFWFLSA-N 0 3 363.465 2.565 50 0 FFAAHN CN1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 ZINC000828052092 999552381 /nfs/dbraw/zinc/55/23/81/999552381.db2.gz CIIVSHZTAFOACP-GOSISDBHSA-N 0 3 358.486 2.534 50 0 FFAAHN OCc1ccc(CN2CCOC3(CCN(Cc4ccsc4)CC3)C2)o1 ZINC000828827031 999582764 /nfs/dbraw/zinc/58/27/64/999582764.db2.gz QKKJIOXXZMBDRI-UHFFFAOYSA-N 0 3 362.495 2.700 50 0 FFAAHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cccn1C1CC1 ZINC000192231117 1001269926 /nfs/dbraw/zinc/26/99/26/1001269926.db2.gz ZUSKDFCVIYQXOW-IBGZPJMESA-N 0 3 353.466 2.844 50 0 FFAAHN CCc1nc2cc(NC(=O)CC[C@H](C)N3CCN(C)CC3)ccc2n1CC ZINC000952966197 1011014773 /nfs/dbraw/zinc/01/47/73/1011014773.db2.gz VUTOJQCIBNLNNF-INIZCTEOSA-N 0 3 371.529 2.973 50 0 FFAAHN Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCc1ccco1)C2 ZINC000014748807 1021682466 /nfs/dbraw/zinc/68/24/66/1021682466.db2.gz JYMIRMNQNBQWES-OAHLLOKOSA-N 0 3 356.470 2.676 50 0 FFAAHN Cc1nc2ccccc2nc1CN1CCN(CCC(C)C)[C@@H](CCO)C1 ZINC000019535199 1022525240 /nfs/dbraw/zinc/52/52/40/1022525240.db2.gz ZWZQYTNTNLMMJE-SFHVURJKSA-N 0 3 356.514 2.853 50 0 FFAAHN COc1cccc2c1OC[C@H](N1CCCN(Cc3ccncc3)CC1)C2 ZINC000020783403 1022611335 /nfs/dbraw/zinc/61/13/35/1022611335.db2.gz DBYYYKLORXFVQK-LJQANCHMSA-N 0 3 353.466 2.602 50 0 FFAAHN CCC1=NO[C@@H](CN2CCC(CNC(=O)c3ccc(C)nc3C)CC2)C1 ZINC001506396704 1059489680 /nfs/dbraw/zinc/48/96/80/1059489680.db2.gz MSVPJAOKSLVFMP-GOSISDBHSA-N 0 3 358.486 2.695 50 0 FFAAHN CCc1nc(C)c(CN2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)[nH]1 ZINC001529118898 1062171082 /nfs/dbraw/zinc/17/10/82/1062171082.db2.gz PSRJQCVBXYUEGC-OXQOHEQNSA-N 0 3 350.466 2.864 50 0 FFAAHN Cc1cc(C[C@@H]2CN(Cc3ccc4cc(Cl)ccc4n3)C[C@H]2O)n[nH]1 ZINC001529167688 1062197041 /nfs/dbraw/zinc/19/70/41/1062197041.db2.gz PYMAZOIVHAEOHV-AUUYWEPGSA-N 0 3 356.857 2.955 50 0 FFAAHN Cc1cc(C[C@@H]2CN(Cc3ccc4cc(Cl)ccc4n3)C[C@H]2O)[nH]n1 ZINC001529167688 1062197049 /nfs/dbraw/zinc/19/70/49/1062197049.db2.gz PYMAZOIVHAEOHV-AUUYWEPGSA-N 0 3 356.857 2.955 50 0 FFAAHN CCN1CCN(c2ccc(NC(=O)COc3ccccc3F)cc2)CC1 ZINC000009118026 210249444 /nfs/dbraw/zinc/24/94/44/210249444.db2.gz QXLWORPAWKPKPS-UHFFFAOYSA-N 0 3 357.429 2.985 50 0 FFAAHN Cc1ccccc1CNC[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000011933394 210101870 /nfs/dbraw/zinc/10/18/70/210101870.db2.gz QIUOTQNCWDMRMM-NRFANRHFSA-N 0 3 356.441 2.777 50 0 FFAAHN O=C(Nc1cc(F)c(F)c(F)c1)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000299798219 210037836 /nfs/dbraw/zinc/03/78/36/210037836.db2.gz WORXNPOWWSLZHU-ZDUSSCGKSA-N 0 3 357.376 2.869 50 0 FFAAHN O=C(Nc1cc(F)c(F)c(F)c1)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000299798217 210037007 /nfs/dbraw/zinc/03/70/07/210037007.db2.gz WORXNPOWWSLZHU-CYBMUJFWSA-N 0 3 357.376 2.869 50 0 FFAAHN CN(CC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)Cc1ccccn1 ZINC000299785823 210029206 /nfs/dbraw/zinc/02/92/06/210029206.db2.gz MGDIZTKQMDMSFV-FQEVSTJZSA-N 0 3 366.509 2.542 50 0 FFAAHN COc1cc(Cl)c(C)cc1NC(=O)NCC[C@@H](C)N1CCN(C)CC1 ZINC000299787124 210029111 /nfs/dbraw/zinc/02/91/11/210029111.db2.gz OYIXIQFWVMUZCY-CQSZACIVSA-N 0 3 368.909 2.805 50 0 FFAAHN Cc1cc(NC(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)c(Cl)cc1F ZINC000299787900 210028916 /nfs/dbraw/zinc/02/89/16/210028916.db2.gz TUGOSLOOTAHIKI-HOTGVXAUSA-N 0 3 355.841 2.850 50 0 FFAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)Nc2cccc3c2CCC3)CC1 ZINC000299776251 210020556 /nfs/dbraw/zinc/02/05/56/210020556.db2.gz MMYMZSYTQGBGQG-UHFFFAOYSA-N 0 3 370.497 2.513 50 0 FFAAHN NC(=O)c1cccc(NC(=O)NCCN2CCC[C@@H](c3ccccc3)C2)c1 ZINC000299772954 210019281 /nfs/dbraw/zinc/01/92/81/210019281.db2.gz DCSRDRZSXFWLLH-GOSISDBHSA-N 0 3 366.465 2.787 50 0 FFAAHN Cc1ccnc(SCC(=O)NCC2(c3ccccc3)CCN(C)CC2)n1 ZINC000299758073 210009034 /nfs/dbraw/zinc/00/90/34/210009034.db2.gz ASEZOPPJVAJHOY-UHFFFAOYSA-N 0 3 370.522 2.657 50 0 FFAAHN CCCc1cc(CNC(=O)CCN2CCN(c3cccc(C)c3)CC2)on1 ZINC000095391542 535396857 /nfs/dbraw/zinc/39/68/57/535396857.db2.gz RWRFGWQNMKCBTF-UHFFFAOYSA-N 0 3 370.497 2.764 50 0 FFAAHN Cc1cccc2c(C(=O)N(C)[C@@H]3CCN(C)C3)cc(-c3cnn(C)c3)nc12 ZINC000063832814 212034282 /nfs/dbraw/zinc/03/42/82/212034282.db2.gz SUCAIJLBKSIAOD-MRXNPFEDSA-N 0 3 363.465 2.720 50 0 FFAAHN CCNC(=O)[C@@H]1C[C@H](NCc2ccc(F)cc2F)CN1Cc1ccccc1 ZINC000039543759 211708168 /nfs/dbraw/zinc/70/81/68/211708168.db2.gz JARYJVXXHCKPPP-ICSRJNTNSA-N 0 3 373.447 2.834 50 0 FFAAHN COCCc1ncc(CN(C)[C@H]2CCCN(CCc3ccccc3)C2)cn1 ZINC000023374814 211387295 /nfs/dbraw/zinc/38/72/95/211387295.db2.gz VMAJREOJPAOOBP-NRFANRHFSA-N 0 3 368.525 2.804 50 0 FFAAHN COc1cc(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)c(Cl)cc1O ZINC000020993412 211300885 /nfs/dbraw/zinc/30/08/85/211300885.db2.gz NKYSKICPNAZATB-HNNXBMFYSA-N 0 3 370.921 2.969 50 0 FFAAHN CN1CC[C@@H](O)[C@H](C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000020201822 211271400 /nfs/dbraw/zinc/27/14/00/211271400.db2.gz NLJZXKUGBFALSU-QRVBRYPASA-N 0 3 358.869 2.858 50 0 FFAAHN CN1CC[C@@H](O)[C@H](C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000020201825 211269955 /nfs/dbraw/zinc/26/99/55/211269955.db2.gz NLJZXKUGBFALSU-GUDVDZBRSA-N 0 3 358.869 2.858 50 0 FFAAHN O=C(CSc1ccccn1)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000015072049 211118498 /nfs/dbraw/zinc/11/84/98/211118498.db2.gz NWFIZSIOYOWZEF-SFHVURJKSA-N 0 3 355.507 2.997 50 0 FFAAHN Cc1cccc(CN2CCC[C@@]3(CCN(c4ccnc(CO)c4)C3)C2=O)c1 ZINC000014949420 211106235 /nfs/dbraw/zinc/10/62/35/211106235.db2.gz MHAKZMSDWTUEJZ-QFIPXVFZSA-N 0 3 365.477 2.901 50 0 FFAAHN COC(=O)C1=C(CN2CCC[C@@H](C)C2)NC(=O)N[C@@H]1c1ccccc1C ZINC000013566280 211040356 /nfs/dbraw/zinc/04/03/56/211040356.db2.gz FSUIGPQIJFZONB-FZKQIMNGSA-N 0 3 357.454 2.508 50 0 FFAAHN NC(=O)NC(=O)[C@H](NCCCCOc1ccc(F)cc1)c1ccccc1 ZINC000012928831 211008280 /nfs/dbraw/zinc/00/82/80/211008280.db2.gz LVYNFZUQMNPKHG-QGZVFWFLSA-N 0 3 359.401 2.511 50 0 FFAAHN CCN(CC)CCn1cnc2c3cc(Br)ccc3[nH]c2c1=O ZINC000002297431 210389865 /nfs/dbraw/zinc/38/98/65/210389865.db2.gz OCBLFFKMGRPRGK-UHFFFAOYSA-N 0 3 363.259 2.982 50 0 FFAAHN COCCn1c(C)cc(O)c([C@H](c2cccnc2)N2CCC(C)CC2)c1=O ZINC000022697856 220395930 /nfs/dbraw/zinc/39/59/30/220395930.db2.gz KDNAAQDWKNZHNM-FQEVSTJZSA-N 0 3 371.481 2.725 50 0 FFAAHN CN(C)c1ccc([C@@H]2CC(=O)Nc3c2cnn3C2CCN(C)CC2)cc1 ZINC000065383298 221207693 /nfs/dbraw/zinc/20/76/93/221207693.db2.gz SEJLOOUJFGKESY-KRWDZBQOSA-N 0 3 353.470 2.690 50 0 FFAAHN CCCn1ncc(NC(=O)c2cccc(CN3CCC[C@@H]3COC)c2)n1 ZINC000065383447 221207980 /nfs/dbraw/zinc/20/79/80/221207980.db2.gz QBMDINNCLIKVQC-QGZVFWFLSA-N 0 3 357.458 2.551 50 0 FFAAHN O=C(c1cc2n(n1)CCCNC2)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000065430590 221218435 /nfs/dbraw/zinc/21/84/35/221218435.db2.gz HHFYWRYIQUPZAD-INIZCTEOSA-N 0 3 367.478 2.963 50 0 FFAAHN CCn1ncnc1NC(=O)c1cccc(CN(C)[C@H]2CCOC(C)(C)C2)c1 ZINC000065530950 221231381 /nfs/dbraw/zinc/23/13/81/221231381.db2.gz CGIRLOZADDMZFL-KRWDZBQOSA-N 0 3 371.485 2.940 50 0 FFAAHN O=C(c1[nH]nnc1Nc1ccccc1F)N1CCN(C2CCCCC2)CC1 ZINC000067284413 221250961 /nfs/dbraw/zinc/25/09/61/221250961.db2.gz HJTZLCOIQLMKQM-UHFFFAOYSA-N 0 3 372.448 2.778 50 0 FFAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c(C)c1 ZINC000067604169 221262382 /nfs/dbraw/zinc/26/23/82/221262382.db2.gz KOMFQLUSOABZSZ-UHFFFAOYSA-N 0 3 368.485 2.822 50 0 FFAAHN CCNc1cc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)nc(C)n1 ZINC000067621599 221263772 /nfs/dbraw/zinc/26/37/72/221263772.db2.gz HSHPQSITAOSBFD-UHFFFAOYSA-N 0 3 353.470 2.796 50 0 FFAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000067622627 221264266 /nfs/dbraw/zinc/26/42/66/221264266.db2.gz XGXFJMUGOYQCDV-UHFFFAOYSA-N 0 3 365.481 2.738 50 0 FFAAHN CC[C@@H](Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1)N1CCN(C)CC1 ZINC000067649345 221264592 /nfs/dbraw/zinc/26/45/92/221264592.db2.gz OVXXTDHUZMGZSK-SFHVURJKSA-N 0 3 364.497 2.966 50 0 FFAAHN C[C@@H](C(=O)NCc1cccnc1N1CCc2ccccc2C1)N1CCCC1 ZINC000067740171 221278995 /nfs/dbraw/zinc/27/89/95/221278995.db2.gz GPOZBSQAWKBAHH-KRWDZBQOSA-N 0 3 364.493 2.745 50 0 FFAAHN Cc1nc(CCNc2nc(-c3cccnc3)nc3c2CCNC3)sc1C ZINC000067804304 221287703 /nfs/dbraw/zinc/28/77/03/221287703.db2.gz JDISSUFQCDZFMV-UHFFFAOYSA-N 0 3 366.494 2.912 50 0 FFAAHN CCc1[nH]c2c(cc(C)cc2CNC(=O)CN2CC[C@@H](N(C)C)C2)c1C ZINC000071662184 221353795 /nfs/dbraw/zinc/35/37/95/221353795.db2.gz AEFQQNUSKAFUSJ-QGZVFWFLSA-N 0 3 356.514 2.599 50 0 FFAAHN Cc1cccc(N2CCN(CCC(=O)N[C@H](C)Cc3cccnc3)CC2)c1 ZINC000095352058 132206898 /nfs/dbraw/zinc/20/68/98/132206898.db2.gz IICVIEAXXMLTBO-LJQANCHMSA-N 0 3 366.509 2.650 50 0 FFAAHN CCN1CC[C@]2(CN(c3cc(C(F)(F)F)ccn3)CCN2C)CCC1=O ZINC000095352432 132206925 /nfs/dbraw/zinc/20/69/25/132206925.db2.gz UTOCXDLNRHCNOG-KRWDZBQOSA-N 0 3 370.419 2.623 50 0 FFAAHN Cc1ccc(C)c(N2N=C(C(=O)N[C@H](C)C3=CCN(C)CC3)CCC2=O)c1 ZINC000095469066 132211600 /nfs/dbraw/zinc/21/16/00/132211600.db2.gz RTHSTZGHYHJVMK-MRXNPFEDSA-N 0 3 368.481 2.553 50 0 FFAAHN CN(C)CCNC(=O)CCC1CCN(c2ccc3ccccc3n2)CC1 ZINC000096164807 132221462 /nfs/dbraw/zinc/22/14/62/132221462.db2.gz UTWJXQBJICPMDO-UHFFFAOYSA-N 0 3 354.498 2.909 50 0 FFAAHN COc1cccc(N2CCN(C3CCN([C@@H]4CCCCC4=O)CC3)CC2)c1 ZINC000252490483 132292432 /nfs/dbraw/zinc/29/24/32/132292432.db2.gz KUVOHMUMLMWYMR-OAQYLSRUSA-N 0 3 371.525 2.793 50 0 FFAAHN COc1cccc(-c2nc3c([nH]2)CCN(C(=O)CN2CCCCCC2)C3)c1 ZINC000096131403 222036202 /nfs/dbraw/zinc/03/62/02/222036202.db2.gz YKODROICEPJMLU-UHFFFAOYSA-N 0 3 368.481 2.846 50 0 FFAAHN COc1cccc(-c2nc3c([nH]2)CN(C(=O)CN2CCCCCC2)CC3)c1 ZINC000096131403 222036204 /nfs/dbraw/zinc/03/62/04/222036204.db2.gz YKODROICEPJMLU-UHFFFAOYSA-N 0 3 368.481 2.846 50 0 FFAAHN O=C(NCCN1CCC[C@H](c2ccccc2)C1)c1n[nH]c2c1CCCC2 ZINC000096164181 222062859 /nfs/dbraw/zinc/06/28/59/222062859.db2.gz YFKXQHKXXRIAOB-KRWDZBQOSA-N 0 3 352.482 2.898 50 0 FFAAHN NC(=O)c1ccccc1-c1ccccc1OC[C@@H](O)CN1CCCCC1 ZINC000096180155 222068303 /nfs/dbraw/zinc/06/83/03/222068303.db2.gz GYAPSBHPQRVEGL-INIZCTEOSA-N 0 3 354.450 2.678 50 0 FFAAHN CN1CCCCC[C@H]1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000097334156 222176684 /nfs/dbraw/zinc/17/66/84/222176684.db2.gz GXZUBYIBFCQJJD-IBGZPJMESA-N 0 3 365.468 2.920 50 0 FFAAHN Cc1ccc(CN2CCC(CNC(=O)[C@@H]3CC(=O)OC34CCCC4)CC2)o1 ZINC000097505858 222186901 /nfs/dbraw/zinc/18/69/01/222186901.db2.gz WATWVPPFIZDFON-SFHVURJKSA-N 0 3 374.481 2.792 50 0 FFAAHN Fc1ccc(-c2n[nH]cc2CN2CCCO[C@@H](CN3CCCC3)C2)cc1 ZINC000097729994 222209013 /nfs/dbraw/zinc/20/90/13/222209013.db2.gz WUILBSGRMDAWPN-IBGZPJMESA-N 0 3 358.461 2.903 50 0 FFAAHN CN1C[C@]2(CCCN(Cc3cnc(N4CCCC4)s3)CC2)OC1=O ZINC000097772688 222211044 /nfs/dbraw/zinc/21/10/44/222211044.db2.gz DXUPMABWVTZMSW-QGZVFWFLSA-N 0 3 350.488 2.550 50 0 FFAAHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000097990914 222218598 /nfs/dbraw/zinc/21/85/98/222218598.db2.gz LKZWBSWLAGAUKG-IIDMSEBBSA-N 0 3 354.491 2.993 50 0 FFAAHN CCCC(=O)N1C[C@@H]2[C@@H](CN3CCCOc4c(cccc4OC)C3)[C@@H]2C1 ZINC000101802725 222285634 /nfs/dbraw/zinc/28/56/34/222285634.db2.gz JEOKHUFVGNVANZ-NNZMDNLPSA-N 0 3 358.482 2.784 50 0 FFAAHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)NC1CCC(O)CC1 ZINC000107158816 222389613 /nfs/dbraw/zinc/38/96/13/222389613.db2.gz XEPRQHMGOOKQTI-CMTQZCSUSA-N 0 3 359.514 2.842 50 0 FFAAHN Cc1cnccc1-c1ccc(C(=O)NCC[C@@H](C)N2CCN(C)CC2)cc1 ZINC000426712536 263662842 /nfs/dbraw/zinc/66/28/42/263662842.db2.gz ABRQVAIKBVXEFY-GOSISDBHSA-N 0 3 366.509 2.813 50 0 FFAAHN O=C(/C=C/c1ccc2c(c1)OCO2)NCCCN1CCc2ccccc2C1 ZINC000032398983 506247972 /nfs/dbraw/zinc/24/79/72/506247972.db2.gz KMKKWXOEEXPOBL-VQHVLOKHSA-N 0 3 364.445 2.993 50 0 FFAAHN CC[C@H](CNC(=O)c1ccc(I)cc1)N1CCCC1 ZINC000032653574 506274986 /nfs/dbraw/zinc/27/49/86/506274986.db2.gz ORCRNQNZQMKSQO-CQSZACIVSA-N 0 3 372.250 2.895 50 0 FFAAHN Cc1ccc(-c2nccn3cc(C(=O)NCCN4CCCCC4)nc23)cc1 ZINC000065274571 506278966 /nfs/dbraw/zinc/27/89/66/506278966.db2.gz PTSRJVNXIFLQFC-UHFFFAOYSA-N 0 3 363.465 2.920 50 0 FFAAHN CC1CCN([C@H](CNC(=O)c2ccn(C)c(=O)c2)c2cccs2)CC1 ZINC000032764472 506291934 /nfs/dbraw/zinc/29/19/34/506291934.db2.gz IIPNDEQATKQDLG-MRXNPFEDSA-N 0 3 359.495 2.650 50 0 FFAAHN Cc1ccc(CN2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)o1 ZINC000004725529 506391231 /nfs/dbraw/zinc/39/12/31/506391231.db2.gz HFHZDILZKDDXDL-UHFFFAOYSA-N 0 3 356.466 2.821 50 0 FFAAHN COCCCN(Cc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 ZINC000036095472 506396258 /nfs/dbraw/zinc/39/62/58/506396258.db2.gz VDLHVUYKXRXITE-GOSISDBHSA-N 0 3 351.418 2.835 50 0 FFAAHN COCCN(Cc1ccc(OC)cc1)C[C@H](O)COCc1ccccc1 ZINC000036095186 506397666 /nfs/dbraw/zinc/39/76/66/506397666.db2.gz DPVIONVPRXYWNF-FQEVSTJZSA-N 0 3 359.466 2.721 50 0 FFAAHN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000037133097 506421831 /nfs/dbraw/zinc/42/18/31/506421831.db2.gz NSQYFGBSTQTYQQ-XAUMDUMWSA-N 0 3 354.450 2.504 50 0 FFAAHN NC(=O)C1CCN(CCCNC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000040145663 506473714 /nfs/dbraw/zinc/47/37/14/506473714.db2.gz HTHYPDJMBZVENJ-UHFFFAOYSA-N 0 3 373.284 2.702 50 0 FFAAHN CCN1CCN(CCCNC(=O)c2cc(SC)ccc2Cl)CC1 ZINC000041443243 506520281 /nfs/dbraw/zinc/52/02/81/506520281.db2.gz ROIJDFDGKVAGEH-UHFFFAOYSA-N 0 3 355.935 2.819 50 0 FFAAHN CCOC(=N)c1c2ccc(CNCCO)c(Cl)c2sc1NC(C)=O ZINC000009193897 506686220 /nfs/dbraw/zinc/68/62/20/506686220.db2.gz BZCODWMVUOHMLV-UHFFFAOYSA-N 0 3 369.874 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/nfs/dbraw/zinc/36/29/52/507362952.db2.gz UTXNPISHJVDMCP-UHFFFAOYSA-N 0 3 356.397 2.952 50 0 FFAAHN CC(C)NC(=O)CNC1(c2cccc(Br)c2)CCOCC1 ZINC000058214424 507386750 /nfs/dbraw/zinc/38/67/50/507386750.db2.gz OWCZOTAYLVMAQA-UHFFFAOYSA-N 0 3 355.276 2.569 50 0 FFAAHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]1Cc1ccccc1 ZINC000048324652 507501448 /nfs/dbraw/zinc/50/14/48/507501448.db2.gz BUKGYQIVDFZTHW-MOPGFXCFSA-N 0 3 358.482 2.638 50 0 FFAAHN CCc1[nH]c(C(=O)NC[C@@H](c2ccccc2)N(C)C)c(C)c1C(=O)OC ZINC000025712309 507525928 /nfs/dbraw/zinc/52/59/28/507525928.db2.gz IJRLMVQPQJKLOE-INIZCTEOSA-N 0 3 357.454 2.705 50 0 FFAAHN Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000070024810 507602539 /nfs/dbraw/zinc/60/25/39/507602539.db2.gz GFNPMKRHJFSKPZ-KXBFYZLASA-N 0 3 354.498 2.921 50 0 FFAAHN CC1(C)NC(=O)N(CCN2Cc3ccccc3[C@@H](c3ccccc3)C2)C1=O ZINC000026918841 507622794 /nfs/dbraw/zinc/62/27/94/507622794.db2.gz WBRNEXIHUNJXHP-LJQANCHMSA-N 0 3 363.461 2.965 50 0 FFAAHN Cc1ccc(-c2nc(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)cs2)cc1 ZINC000061650046 507631175 /nfs/dbraw/zinc/63/11/75/507631175.db2.gz IXRCGOBUBCTRGZ-JKSUJKDBSA-N 0 3 357.479 2.712 50 0 FFAAHN COC[C@H](C)NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072120798 507750416 /nfs/dbraw/zinc/75/04/16/507750416.db2.gz ONSAHSMRMMIODO-SFHVURJKSA-N 0 3 366.505 2.850 50 0 FFAAHN Cc1cc(C)n(-c2cccc(CN(C)Cc3cc4n(n3)CCCNC4)c2)n1 ZINC000072143509 507756863 /nfs/dbraw/zinc/75/68/63/507756863.db2.gz BOVCPYMMOZPSBH-UHFFFAOYSA-N 0 3 364.497 2.811 50 0 FFAAHN CCCN(CCC)CC1=NC(=O)N[C@H](c2ccc(C)cc2)C1C(=O)OC ZINC000051318286 507761908 /nfs/dbraw/zinc/76/19/08/507761908.db2.gz IOCONZVAMOLHJA-GOSISDBHSA-N 0 3 359.470 2.898 50 0 FFAAHN Cc1ncc2c(c1CNC(=O)c1c[nH]nc1C1CCCCC1)CCNC2 ZINC000072163843 507767023 /nfs/dbraw/zinc/76/70/23/507767023.db2.gz KIPGRICNCNZWOI-UHFFFAOYSA-N 0 3 353.470 2.737 50 0 FFAAHN CN(Cc1cc2n(n1)CCCN(CCc1ccccc1)C2)Cc1ncc[nH]1 ZINC000072163545 507767355 /nfs/dbraw/zinc/76/73/55/507767355.db2.gz 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CC[C@H](C)[C@H](N)C(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000091616752 507996421 /nfs/dbraw/zinc/99/64/21/507996421.db2.gz QTBMGAULKKJHPF-PXNSSMCTSA-N 0 3 371.525 2.791 50 0 FFAAHN Cc1nc[nH]c1CN1C[C@H]2CC[C@H](CN2Cc2ccc3c(c2)OCCO3)C1 ZINC000091665238 508000575 /nfs/dbraw/zinc/00/05/75/508000575.db2.gz YILKCWPVRNRMOF-ZWKOTPCHSA-N 0 3 368.481 2.586 50 0 FFAAHN CN1CCN(Cc2cc(C3CCCCC3)no2)C[C@@]12CCC(=O)N(C)CC2 ZINC000091707514 508004181 /nfs/dbraw/zinc/00/41/81/508004181.db2.gz XWIQDHAHVOEBOD-NRFANRHFSA-N 0 3 374.529 2.851 50 0 FFAAHN CCn1c(Cn2ccnc2C)nnc1C1CCN(CCC(F)(F)F)CC1 ZINC000091858224 508019903 /nfs/dbraw/zinc/01/99/03/508019903.db2.gz GINHELMVHCQQMY-UHFFFAOYSA-N 0 3 370.423 2.983 50 0 FFAAHN Cc1ccsc1[C@H](CNC(=O)c1cnc(C(C)(C)C)[n-]c1=O)[NH+](C)C ZINC000092062442 508039089 /nfs/dbraw/zinc/03/90/89/508039089.db2.gz PHEUGDIYOLSMQC-ZDUSSCGKSA-N 0 3 362.499 2.882 50 0 FFAAHN c1cn(-c2ccc(CN3C[C@H]4CC[C@@H]3CN(c3cnccn3)C4)cc2)cn1 ZINC000092078784 508041869 /nfs/dbraw/zinc/04/18/69/508041869.db2.gz LLQJBNBOULGWBJ-UYAOXDASSA-N 0 3 360.465 2.763 50 0 FFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2cc(F)ccc2F)C1 ZINC000095352422 508173979 /nfs/dbraw/zinc/17/39/79/508173979.db2.gz XNPULUBKSMBSAE-AWEZNQCLSA-N 0 3 362.424 2.743 50 0 FFAAHN CC(=O)Nc1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2[nH]cnc2C)C3)cc1 ZINC000095356349 508174751 /nfs/dbraw/zinc/17/47/51/508174751.db2.gz JWIKFEDLHIZSAH-AZUAARDMSA-N 0 3 367.497 2.773 50 0 FFAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2N(C)C)C1 ZINC000095357847 508175479 /nfs/dbraw/zinc/17/54/79/508175479.db2.gz ZZSREIHSZXWZKK-QGZVFWFLSA-N 0 3 369.513 2.531 50 0 FFAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000095361848 508176307 /nfs/dbraw/zinc/17/63/07/508176307.db2.gz IZXPGVQKUOBHPR-QGZVFWFLSA-N 0 3 365.481 2.946 50 0 FFAAHN CN1CCN(Cc2ccc(F)c(Cl)c2F)C[C@@]12CCC(=O)N(C)CC2 ZINC000095371414 508178432 /nfs/dbraw/zinc/17/84/32/508178432.db2.gz UBRBSWNOLQNDCE-SFHVURJKSA-N 0 3 371.859 2.747 50 0 FFAAHN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)Cc1c(C)[nH]c3c1cccc3F)C2 ZINC000095380507 508180310 /nfs/dbraw/zinc/18/03/10/508180310.db2.gz ZAYCVXVCBVYRKG-HZPDHXFCSA-N 0 3 373.472 2.727 50 0 FFAAHN CN(C)C[C@@H]1CN(C(=O)Nc2cccc(C3SCCS3)c2)CCO1 ZINC000095398681 508184515 /nfs/dbraw/zinc/18/45/15/508184515.db2.gz WVEKPPRAAANZFC-OAHLLOKOSA-N 0 3 367.540 2.960 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)Cc3sc(C)nc3C)C[C@H]2N(C)C)cc1 ZINC000095498271 508189775 /nfs/dbraw/zinc/18/97/75/508189775.db2.gz JJZDOLGXHDTBPS-ZWKOTPCHSA-N 0 3 373.522 2.867 50 0 FFAAHN COc1ncccc1-c1nc(CC2CCN(C)CC2)nn1CC(F)(F)F ZINC000095521017 508194788 /nfs/dbraw/zinc/19/47/88/508194788.db2.gz BZALSLYUCSJTSW-UHFFFAOYSA-N 0 3 369.391 2.795 50 0 FFAAHN Cc1ccc(C2(C(=O)N3CCC([C@H](C)N4CCN(C)CC4)CC3)CC2)cc1 ZINC000082146775 508226847 /nfs/dbraw/zinc/22/68/47/508226847.db2.gz PLZVWCRHIZAMLU-IBGZPJMESA-N 0 3 369.553 2.901 50 0 FFAAHN O=C1CCCN1CCC1CCN(Cc2cnc(-c3ccccn3)nc2)CC1 ZINC000077322927 508300397 /nfs/dbraw/zinc/30/03/97/508300397.db2.gz XPMIEFRAKITPBU-UHFFFAOYSA-N 0 3 365.481 2.763 50 0 FFAAHN COc1ccccc1OCC(=O)N1C[C@@H](c2ccc(C)cc2)[C@H](N(C)C)C1 ZINC000077355636 508304459 /nfs/dbraw/zinc/30/44/59/508304459.db2.gz PPMJYJQEARAXMY-RBUKOAKNSA-N 0 3 368.477 2.939 50 0 FFAAHN Cc1c[nH+]ccc1N1CCCN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)CC1 ZINC000077375951 508306928 /nfs/dbraw/zinc/30/69/28/508306928.db2.gz SORKNUWCAKBBEH-KRWDZBQOSA-N 0 3 369.465 2.954 50 0 FFAAHN CCn1cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c(C)n1 ZINC000077427436 508314787 /nfs/dbraw/zinc/31/47/87/508314787.db2.gz PLFWGAMGKQNCGX-UHFFFAOYSA-N 0 3 354.498 2.992 50 0 FFAAHN C[C@@H](CNC(=O)[C@@H]1CCCN1C1CCOCC1)Oc1ccc(Cl)cc1 ZINC000155627480 509040523 /nfs/dbraw/zinc/04/05/23/509040523.db2.gz FQEQQCUMDKATFO-KSSFIOAISA-N 0 3 366.889 2.867 50 0 FFAAHN COc1ccccc1-n1cc(CN2CCN(C3CCSCC3)CC2)cn1 ZINC000215531347 509248808 /nfs/dbraw/zinc/24/88/08/509248808.db2.gz LFCRXGJZNCQZSP-UHFFFAOYSA-N 0 3 372.538 2.894 50 0 FFAAHN Cc1cc(C(F)(F)F)n2ncc(C(=O)NC(C)(C)CN3CCCC3)c2n1 ZINC000216512868 509262780 /nfs/dbraw/zinc/26/27/80/509262780.db2.gz SYXOYUKHPACWHL-UHFFFAOYSA-N 0 3 369.391 2.661 50 0 FFAAHN CN1CCN(CC[C@H]2CCCCN2C(=O)c2cnc3ccccc3c2)CC1 ZINC000218795853 509282324 /nfs/dbraw/zinc/28/23/24/509282324.db2.gz HJFUVVIQSZMJCO-HXUWFJFHSA-N 0 3 366.509 2.867 50 0 FFAAHN CCNC(=O)[C@@H]1CCCN1Cc1cccc(OCCN2CCCCC2)c1 ZINC000219210198 509285617 /nfs/dbraw/zinc/28/56/17/509285617.db2.gz MHMYXDQEIUBYMK-FQEVSTJZSA-N 0 3 359.514 2.652 50 0 FFAAHN COCCN1CCN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000252516606 509849169 /nfs/dbraw/zinc/84/91/69/509849169.db2.gz VAVVTFSAIJFJLS-ZWKOTPCHSA-N 0 3 369.550 2.676 50 0 FFAAHN Cc1cc([C@H]2CCCN2CCN2CCN(Cc3ccccc3)CC2)on1 ZINC000244723761 509867477 /nfs/dbraw/zinc/86/74/77/509867477.db2.gz MGUKRVHEVZXTBM-HXUWFJFHSA-N 0 3 354.498 2.938 50 0 FFAAHN O=C(CN1CCN(C2CCSCC2)CC1)Nc1ccc(Cl)cc1F ZINC000244852620 509873816 /nfs/dbraw/zinc/87/38/16/509873816.db2.gz UVUSJPQYROQWLI-UHFFFAOYSA-N 0 3 371.909 2.931 50 0 FFAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)c2c[nH]c(=O)c(Cl)c2)C1 ZINC000253537080 509888495 /nfs/dbraw/zinc/88/84/95/509888495.db2.gz WTMLQLSGFCNKOY-AWEZNQCLSA-N 0 3 359.857 2.968 50 0 FFAAHN COc1ccc(-c2n[nH]cc2CN2CCC3(CC2)C[C@](C)(O)CCO3)cc1 ZINC000257176461 509946639 /nfs/dbraw/zinc/94/66/39/509946639.db2.gz SWCTUAVYKHFFCD-HXUWFJFHSA-N 0 3 371.481 2.981 50 0 FFAAHN O=C1N[C@@H]2CCCC[C@@H]2CC1S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000333812465 511363737 /nfs/dbraw/zinc/36/37/37/511363737.db2.gz IHWDJOFAKVHJGM-DQRRXLOISA-N 0 3 367.433 2.970 50 0 FFAAHN Cc1ccc(C(N)=O)cc1-c1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000426429124 513938911 /nfs/dbraw/zinc/93/89/11/513938911.db2.gz YDRZBDBYMVFSHN-LJQANCHMSA-N 0 3 365.477 2.927 50 0 FFAAHN CN(Cc1nncn1C)C(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000426442981 513942046 /nfs/dbraw/zinc/94/20/46/513942046.db2.gz PVRPLZHKTFOKGP-SFHVURJKSA-N 0 3 370.501 2.574 50 0 FFAAHN CN(Cc1ccccc1C(F)(F)F)C(=O)NCCN1CCC[C@H](CO)C1 ZINC000426488554 513956792 /nfs/dbraw/zinc/95/67/92/513956792.db2.gz WGVNKQQQPRLOQS-AWEZNQCLSA-N 0 3 373.419 2.551 50 0 FFAAHN NC(=O)c1ccnc(N2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3)c1 ZINC000426584105 513986949 /nfs/dbraw/zinc/98/69/49/513986949.db2.gz SNTADBJHAOPMMI-OAQYLSRUSA-N 0 3 368.456 2.812 50 0 FFAAHN Cc1cc(C)n(C2CN(C(=O)NCCN3CC[C@@H](c4ccccc4)C3)C2)n1 ZINC000426627643 513998172 /nfs/dbraw/zinc/99/81/72/513998172.db2.gz IACNWMMLCBVRCO-LJQANCHMSA-N 0 3 367.497 2.556 50 0 FFAAHN O=C(NCCCN1CCc2ccccc2C1)c1cc(-c2cccnc2)on1 ZINC000048236872 518199580 /nfs/dbraw/zinc/19/95/80/518199580.db2.gz XRQJQSFLXAGFFC-UHFFFAOYSA-N 0 3 362.433 2.915 50 0 FFAAHN O=c1c2sc(-c3ccccc3)cc2ncn1C[C@@H]1CCCN(CCO)C1 ZINC000584889788 518525307 /nfs/dbraw/zinc/52/53/07/518525307.db2.gz WUGKABLTNGVNOY-OAHLLOKOSA-N 0 3 369.490 2.829 50 0 FFAAHN CCCN1CCCn2nc(CNC(=O)c3ccc(CSC)o3)cc2C1 ZINC000082098610 519855182 /nfs/dbraw/zinc/85/51/82/519855182.db2.gz MYKCWGXUSNUHHC-UHFFFAOYSA-N 0 3 362.499 2.885 50 0 FFAAHN CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1 ZINC000082146102 519855296 /nfs/dbraw/zinc/85/52/96/519855296.db2.gz JRPIQUQBQPOOOZ-UHFFFAOYSA-N 0 3 357.506 2.529 50 0 FFAAHN COc1cc(C)ccc1CN1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082125836 522255499 /nfs/dbraw/zinc/25/54/99/522255499.db2.gz CEOUVGHTAQEUPY-OAQYLSRUSA-N 0 3 360.498 2.591 50 0 FFAAHN CCc1ccc(CN2CCN(C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)o1 ZINC000091411084 523927887 /nfs/dbraw/zinc/92/78/87/523927887.db2.gz PDXNGKWWJYPFBY-NRFANRHFSA-N 0 3 359.514 2.751 50 0 FFAAHN CCc1ccc(N2C(=O)C[C@@H](NCCc3ccc(OC)cc3)C2=O)cc1 ZINC000019841519 523962585 /nfs/dbraw/zinc/96/25/85/523962585.db2.gz SADNVBAVWKRLNJ-LJQANCHMSA-N 0 3 352.434 2.722 50 0 FFAAHN O=C(NCCN1CCCCC1)[C@@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000020996337 526307038 /nfs/dbraw/zinc/30/70/38/526307038.db2.gz RZWWNUNXPUPGFJ-OAHLLOKOSA-N 0 3 373.526 2.510 50 0 FFAAHN Fc1cccc(CNCc2cccn2-c2nnc(N3CCOCC3)s2)c1 ZINC000020576740 526388812 /nfs/dbraw/zinc/38/88/12/526388812.db2.gz HHVAYHTZDWXDRJ-UHFFFAOYSA-N 0 3 373.457 2.594 50 0 FFAAHN OCCOc1ccccc1CN[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000019788807 527557809 /nfs/dbraw/zinc/55/78/09/527557809.db2.gz ZAHLBBUYJSCJNO-LJQANCHMSA-N 0 3 358.457 2.951 50 0 FFAAHN OCC[C@H]1CN(Cc2cnn(-c3ccc(F)cc3)c2)CCN1C1CCCC1 ZINC000019789846 527573358 /nfs/dbraw/zinc/57/33/58/527573358.db2.gz ORIHCXAVTNZGLD-NRFANRHFSA-N 0 3 372.488 2.823 50 0 FFAAHN C[C@@H](CNC(=O)Nc1cccc(CN2CCOC2=O)c1)N1CCC[C@H](C)C1 ZINC000048367457 570952410 /nfs/dbraw/zinc/95/24/10/570952410.db2.gz FRNFXJMWMSVIDH-HOTGVXAUSA-N 0 3 374.485 2.881 50 0 FFAAHN COCCc1noc([C@@H]2CCCN(Cc3c(C)nc4ccccn43)C2)n1 ZINC000072144756 571172599 /nfs/dbraw/zinc/17/25/99/571172599.db2.gz FWPIRQGFCJWGIX-OAHLLOKOSA-N 0 3 355.442 2.594 50 0 FFAAHN COCCc1noc([C@H]2CCCN(Cc3c(C)nc4ccccn43)C2)n1 ZINC000072144753 571172695 /nfs/dbraw/zinc/17/26/95/571172695.db2.gz FWPIRQGFCJWGIX-HNNXBMFYSA-N 0 3 355.442 2.594 50 0 FFAAHN O=C(CN1CCCCCC1)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000072144538 571172732 /nfs/dbraw/zinc/17/27/32/571172732.db2.gz IJLJEEKPCTWUSE-GOSISDBHSA-N 0 3 373.497 2.737 50 0 FFAAHN COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(Cc3ccncc3)C2)c1 ZINC000012303270 571318534 /nfs/dbraw/zinc/31/85/34/571318534.db2.gz SXXSJPJLELNPMZ-KRWDZBQOSA-N 0 3 369.465 2.741 50 0 FFAAHN O=C(CCCN1CCOCC1)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000670452496 571352826 /nfs/dbraw/zinc/35/28/26/571352826.db2.gz GNOWSVCDGMSQIA-NRFANRHFSA-N 0 3 373.541 2.832 50 0 FFAAHN Cc1cc(C)cc(C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c1 ZINC000091849308 963738463 /nfs/dbraw/zinc/73/84/63/963738463.db2.gz MOBUODJBLVCHSJ-UHFFFAOYSA-N 0 3 371.525 2.710 50 0 FFAAHN O=C(CCCc1ccccc1)N1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000020208518 970491856 /nfs/dbraw/zinc/49/18/56/970491856.db2.gz WBSKLWDPRQKYTC-UHFFFAOYSA-N 0 3 371.525 2.556 50 0 FFAAHN C[C@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc2c(c1)OCO2 ZINC000186033265 984080536 /nfs/dbraw/zinc/08/05/36/984080536.db2.gz XCUDLCOHIBHBPB-AWEZNQCLSA-N 0 3 374.462 2.806 50 0 FFAAHN O=C(N[C@H]1CCCN(C2Cc3ccccc3C2)C1)c1n[nH]c2c1CCCC2 ZINC000012207555 988226148 /nfs/dbraw/zinc/22/61/48/988226148.db2.gz ZHWBPSFUICNKTD-KRWDZBQOSA-N 0 3 364.493 2.650 50 0 FFAAHN O=C1CC[C@@H](NCc2[nH]nc3c2CCCCC3)CN1Cc1ccccc1 ZINC000828256397 999562560 /nfs/dbraw/zinc/56/25/60/999562560.db2.gz DMNFHCCWFNMHLP-QGZVFWFLSA-N 0 3 352.482 2.959 50 0 FFAAHN CCc1nccn1CCC(=O)NC[C@H](c1cccnc1)N1CCCCC1 ZINC000952972586 1011017334 /nfs/dbraw/zinc/01/73/34/1011017334.db2.gz QBFKEXYQHHMMBC-GOSISDBHSA-N 0 3 355.486 2.574 50 0 FFAAHN C[C@H](c1ccccn1)N(C)Cc1ccccc1OCCN1CCN(C)CC1 ZINC000952977425 1011020761 /nfs/dbraw/zinc/02/07/61/1011020761.db2.gz IBWPJUWRNVZALX-LJQANCHMSA-N 0 3 368.525 2.901 50 0 FFAAHN Cc1ccc(CN(C)Cc2ccccc2OCCN2CCN(C)CC2)o1 ZINC000952982281 1011036632 /nfs/dbraw/zinc/03/66/32/1011036632.db2.gz YLWZNXXWHNNAFD-UHFFFAOYSA-N 0 3 357.498 2.846 50 0 FFAAHN C[C@@H](CN1CCCC1)OC(=O)c1ccccc1I ZINC000000641628 210256989 /nfs/dbraw/zinc/25/69/89/210256989.db2.gz MDDXWRBUFJYQFK-NSHDSACASA-N 0 3 359.207 2.932 50 0 FFAAHN COc1cc(CNC[C@H]2CN(C)CCO2)ccc1OCc1cccs1 ZINC000105472044 210137951 /nfs/dbraw/zinc/13/79/51/210137951.db2.gz IHPNHUCJCUZUDA-INIZCTEOSA-N 0 3 362.495 2.756 50 0 FFAAHN Cc1cc(N[C@H](C)C2(S(C)(=O)=O)CC2)c2cc(OC(F)F)ccc2n1 ZINC000328592905 210107408 /nfs/dbraw/zinc/10/74/08/210107408.db2.gz OTMKAKSPAUHNCY-LLVKDONJSA-N 0 3 370.421 2.944 50 0 FFAAHN O=C(CSCCN1CCCC1)NCc1c[nH]nc1-c1ccc(F)cc1 ZINC000299799736 210039409 /nfs/dbraw/zinc/03/94/09/210039409.db2.gz ZORAEPGJGCWKRV-UHFFFAOYSA-N 0 3 362.474 2.661 50 0 FFAAHN CCc1cc(C(=O)NCC2CCN(Cc3ccc(C)o3)CC2)cc(=O)[nH]1 ZINC000299789520 210031375 /nfs/dbraw/zinc/03/13/75/210031375.db2.gz YXGRUXMLPXBRCP-UHFFFAOYSA-N 0 3 357.454 2.893 50 0 FFAAHN O=C(NCCN1CCCC[C@@H]1CO)Nc1cc(F)cc(C(F)(F)F)c1 ZINC000299782971 210026791 /nfs/dbraw/zinc/02/67/91/210026791.db2.gz WGGLBAIGCYEEMX-CQSZACIVSA-N 0 3 363.355 2.813 50 0 FFAAHN O=C(c1cccc(-c2ccncc2F)c1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000299776977 210024031 /nfs/dbraw/zinc/02/40/31/210024031.db2.gz IYCJJNNSIACDEZ-PMACEKPBSA-N 0 3 369.440 2.559 50 0 FFAAHN COCC(=O)Nc1cccc(NC(=O)N2CCC[C@@]3(CCN(C)C3)C2)c1C ZINC000299769068 210017613 /nfs/dbraw/zinc/01/76/13/210017613.db2.gz ITISKVDHZFYWHJ-FQEVSTJZSA-N 0 3 374.485 2.530 50 0 FFAAHN Cc1cc(NC(=O)N2CCCO[C@H](CN3CCCCC3)C2)n(C(C)C)n1 ZINC000299770227 210016570 /nfs/dbraw/zinc/01/65/70/210016570.db2.gz QCJZMIDVHWJBBM-QGZVFWFLSA-N 0 3 363.506 2.881 50 0 FFAAHN Cc1cnc2c(C(=O)NCCN3CC[C@@H](c4ccccc4C)C3)cnn2c1 ZINC000299765088 210014931 /nfs/dbraw/zinc/01/49/31/210014931.db2.gz VEJSJCCOQWEDEO-QGZVFWFLSA-N 0 3 363.465 2.565 50 0 FFAAHN C[C@H]1CCCCN1Cc1cccc(NC(=O)NCc2nnc(N)s2)c1 ZINC000299756633 210009979 /nfs/dbraw/zinc/00/99/79/210009979.db2.gz GFRNKMMOKZCWDG-LBPRGKRZSA-N 0 3 360.487 2.816 50 0 FFAAHN Brc1cccc(C2(NCCn3cccn3)CCOCC2)c1 ZINC000064249428 212037359 /nfs/dbraw/zinc/03/73/59/212037359.db2.gz KIRRPJSZAKCFDQ-UHFFFAOYSA-N 0 3 350.260 2.941 50 0 FFAAHN O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)NC1CCN(C2CC2)CC1 ZINC000058406535 212009917 /nfs/dbraw/zinc/00/99/17/212009917.db2.gz VBFYKOJNKURSSB-HNNXBMFYSA-N 0 3 360.477 2.578 50 0 FFAAHN COc1cc(CCC(=O)N[C@H]2CCCN(C)C2)ccc1OCC(F)(F)F ZINC000058390956 212008478 /nfs/dbraw/zinc/00/84/78/212008478.db2.gz QMGUKWHFGJFEGI-AWEZNQCLSA-N 0 3 374.403 2.779 50 0 FFAAHN OCC[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)CCN1C1CCCC1 ZINC000023373296 211386535 /nfs/dbraw/zinc/38/65/35/211386535.db2.gz AGLKTDSHMAGHOC-OAQYLSRUSA-N 0 3 354.498 2.684 50 0 FFAAHN Cc1nc[nH]c1CN1CCC[C@@H](Cn2cc(Cc3ccccc3)nn2)C1 ZINC000023231641 211380593 /nfs/dbraw/zinc/38/05/93/211380593.db2.gz SOQQYIJSNWMCNH-GOSISDBHSA-N 0 3 350.470 2.813 50 0 FFAAHN CN1CCN(C(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000023213165 211380247 /nfs/dbraw/zinc/38/02/47/211380247.db2.gz AUDLDNSZLZDLDD-UHFFFAOYSA-N 0 3 367.449 2.972 50 0 FFAAHN COc1ccccc1-c1n[nH]c2c1CN(Cc1cnn3cccnc13)CC2 ZINC000023214872 211379522 /nfs/dbraw/zinc/37/95/22/211379522.db2.gz XVXAJDDDAVUIEV-UHFFFAOYSA-N 0 3 360.421 2.686 50 0 FFAAHN COc1cccc(CNCCN2CCOCC2)c1OCc1ccccc1F ZINC000019568261 211234656 /nfs/dbraw/zinc/23/46/56/211234656.db2.gz OWDCSLZSFPHDFH-UHFFFAOYSA-N 0 3 374.456 2.835 50 0 FFAAHN COc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccccc4)C3=O)c2c1 ZINC000018223025 211195138 /nfs/dbraw/zinc/19/51/38/211195138.db2.gz WRBSYGJAGIIMKC-LJQANCHMSA-N 0 3 363.417 2.641 50 0 biogenic FFAAHN Cc1ccc(CN(C)C[C@@]2(O)CCCN(Cc3cccc(C)c3)C2=O)o1 ZINC000015080399 211121637 /nfs/dbraw/zinc/12/16/37/211121637.db2.gz WPSTVHNUTYGOBZ-NRFANRHFSA-N 0 3 356.466 2.882 50 0 FFAAHN Cc1ccccc1CNC[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000015074890 211119739 /nfs/dbraw/zinc/11/97/39/211119739.db2.gz AJYQGWCCSVJXRL-NRFANRHFSA-N 0 3 374.431 2.917 50 0 FFAAHN O=C(CSc1ccccn1)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000015072047 211119048 /nfs/dbraw/zinc/11/90/48/211119048.db2.gz NWFIZSIOYOWZEF-GOSISDBHSA-N 0 3 355.507 2.997 50 0 FFAAHN COc1cc(CN[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc(OC)c1 ZINC000014964795 211108016 /nfs/dbraw/zinc/10/80/16/211108016.db2.gz ACZFPTIPHYLFLV-QGZVFWFLSA-N 0 3 358.413 2.734 50 0 FFAAHN CN(Cc1ccco1)[C@H]1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 ZINC000014750480 211100134 /nfs/dbraw/zinc/10/01/34/211100134.db2.gz VTWNLCVRRVOTLC-HNNXBMFYSA-N 0 3 356.470 2.629 50 0 FFAAHN O=C(N[C@H]1CCCN(CCc2ccccc2)C1)c1cc(C(F)(F)F)n[nH]1 ZINC000012299389 210936787 /nfs/dbraw/zinc/93/67/87/210936787.db2.gz CSIJEBSNMYLAEU-AWEZNQCLSA-N 0 3 366.387 2.865 50 0 FFAAHN Cc1cc(CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)oc1C ZINC000011815201 210895858 /nfs/dbraw/zinc/89/58/58/210895858.db2.gz JFPFGYOOCPMAOK-MRXNPFEDSA-N 0 3 372.469 2.905 50 0 FFAAHN CN(C)CCNC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000002179573 210382419 /nfs/dbraw/zinc/38/24/19/210382419.db2.gz OHIFJWBBKLZSNK-UHFFFAOYSA-N 0 3 357.292 2.803 50 0 FFAAHN Cc1occc1C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000048368381 221011245 /nfs/dbraw/zinc/01/12/45/221011245.db2.gz VALMADKOOWSNEG-UHFFFAOYSA-N 0 3 355.482 2.916 50 0 FFAAHN CCN1CCN(Cc2ccc(CNC(=O)OCC(F)(F)F)cc2)CC1 ZINC000058161967 221100852 /nfs/dbraw/zinc/10/08/52/221100852.db2.gz DKFDVUHVKBCGCQ-UHFFFAOYSA-N 0 3 359.392 2.613 50 0 FFAAHN Cc1cc(OCC(=O)NC2CCN(C)CC2)cc(C)c1Br ZINC000065363607 221202113 /nfs/dbraw/zinc/20/21/13/221202113.db2.gz RQWMCXIKOGIEML-UHFFFAOYSA-N 0 3 355.276 2.655 50 0 FFAAHN CCN(CC)[C@@H](Cn1cnc2sc3c(c2c1=O)CCNC3)c1ccco1 ZINC000065373590 221205285 /nfs/dbraw/zinc/20/52/85/221205285.db2.gz RVVXHKSLDMZUHG-AWEZNQCLSA-N 0 3 372.494 2.780 50 0 FFAAHN Cc1cc(-n2nc(CCc3ccccc3)nc2CCn2cncn2)ccn1 ZINC000065404682 221213464 /nfs/dbraw/zinc/21/34/64/221213464.db2.gz UIBZXERQIQWTMO-UHFFFAOYSA-N 0 3 359.437 2.590 50 0 FFAAHN O=C(NCc1noc([C@@H]2CCCO2)n1)c1ccc(CN2CCCCC2)cc1 ZINC000065409072 221215807 /nfs/dbraw/zinc/21/58/07/221215807.db2.gz ZXTQNVVNZDPGKA-KRWDZBQOSA-N 0 3 370.453 2.837 50 0 FFAAHN CN1CCC[C@H]1CNC(=O)CCCOc1ccc(Br)cc1 ZINC000065588826 221234848 /nfs/dbraw/zinc/23/48/48/221234848.db2.gz JHRTVHGAKGHNCN-AWEZNQCLSA-N 0 3 355.276 2.819 50 0 FFAAHN Cc1nc(NCCNC(=O)c2ccc(Cl)cc2)cc(N2CCCC2)n1 ZINC000067601779 221260183 /nfs/dbraw/zinc/26/01/83/221260183.db2.gz QNEWGDDRWZYKFJ-UHFFFAOYSA-N 0 3 359.861 2.881 50 0 FFAAHN CSCc1noc(CNc2nc(-c3ccccc3)nc3c2CCNC3)n1 ZINC000067641315 221263810 /nfs/dbraw/zinc/26/38/10/221263810.db2.gz MZTOVFAPGIAMIX-UHFFFAOYSA-N 0 3 368.466 2.647 50 0 FFAAHN CCN(C[C@H]1CCN(C)C1)C(=O)c1coc(COc2ccccc2F)n1 ZINC000067673631 221268051 /nfs/dbraw/zinc/26/80/51/221268051.db2.gz WKAIWZXAFNOTEJ-AWEZNQCLSA-N 0 3 361.417 2.807 50 0 FFAAHN COC(=O)N1CCC[C@@]2(CCN(Cc3cccc(-n4cccn4)c3)C2)C1 ZINC000067691141 221272618 /nfs/dbraw/zinc/27/26/18/221272618.db2.gz JYMAIIYBVDIXDH-FQEVSTJZSA-N 0 3 354.454 2.927 50 0 FFAAHN Cn1nc(CC2CCN(Cc3ccoc3)CC2)n(-c2ccccc2)c1=O ZINC000067871358 221298120 /nfs/dbraw/zinc/29/81/20/221298120.db2.gz VZZCUWVGJOTVHV-UHFFFAOYSA-N 0 3 352.438 2.619 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3ccc(OC)c(O)c3)cnn2c1 ZINC000067920752 221305337 /nfs/dbraw/zinc/30/53/37/221305337.db2.gz DZVLRRIFDMPBRI-UHFFFAOYSA-N 0 3 369.425 2.538 50 0 FFAAHN C[C@@H](N)C(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067967252 221310372 /nfs/dbraw/zinc/31/03/72/221310372.db2.gz PQDSRXYPOLZDJR-LLVKDONJSA-N 0 3 369.446 2.737 50 0 FFAAHN Cc1c(-c2nc(CC3CCN(C)CC3)no2)nnn1Cc1ccccc1 ZINC000067983524 221312994 /nfs/dbraw/zinc/31/29/94/221312994.db2.gz FUEMYOJIKPDECM-UHFFFAOYSA-N 0 3 352.442 2.569 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)C(C)(C)OC)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071419121 221347801 /nfs/dbraw/zinc/34/78/01/221347801.db2.gz KTXXYOIQEIBDSW-IPMKNSEASA-N 0 3 358.482 2.509 50 0 FFAAHN C[C@H]1C[C@@H](Nc2cc(N3CCOCC3)ncn2)CCN1Cc1ccccc1 ZINC000302870151 258113323 /nfs/dbraw/zinc/11/33/23/258113323.db2.gz BBYDELXWPJFICZ-HKUYNNGSSA-N 0 3 367.497 2.778 50 0 FFAAHN Cc1cc(C)n(CCC(=O)N(C)CC2CCN(c3ccncc3)CC2)n1 ZINC000095452144 132211057 /nfs/dbraw/zinc/21/10/57/132211057.db2.gz REZWPJOJHVMFPR-UHFFFAOYSA-N 0 3 355.486 2.660 50 0 FFAAHN Cc1c(C(=O)N2CCN(c3ccncc3)CC2)c2cc(O)ccc2n1C ZINC000097323977 132228434 /nfs/dbraw/zinc/22/84/34/132228434.db2.gz WEFIXTKGYKRACC-UHFFFAOYSA-N 0 3 350.422 2.550 50 0 FFAAHN Cc1nc([C@H]2C[C@@H]([NH2+]C3CCN(c4ccccc4F)CC3)C2)cc(=O)[n-]1 ZINC000222922979 132278252 /nfs/dbraw/zinc/27/82/52/132278252.db2.gz AVTCHFVOYGEERQ-KOMQPUFPSA-N 0 3 356.445 2.722 50 0 FFAAHN C[C@H](CC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)C1CC1 ZINC000058403257 136131647 /nfs/dbraw/zinc/13/16/47/136131647.db2.gz UGFOLYLSDHROCJ-MOPGFXCFSA-N 0 3 370.541 2.878 50 0 FFAAHN COc1ccccc1N1CCN(CC(C)(C)CN2CCOCC2)[C@@H](C)C1 ZINC000072131854 136142246 /nfs/dbraw/zinc/14/22/46/136142246.db2.gz ZHYIVQQJXSVLSU-SFHVURJKSA-N 0 3 361.530 2.564 50 0 FFAAHN Cc1n[nH]c(C)c1CCC(=O)NCCN1CC[C@@H](c2ccccc2C)C1 ZINC000096136214 222039778 /nfs/dbraw/zinc/03/97/78/222039778.db2.gz YTYNASVOBYYGQQ-GOSISDBHSA-N 0 3 354.498 2.873 50 0 FFAAHN CN1CCC(n2nc(-c3ccncc3)nc2COC[C@@H]2CCCCO2)CC1 ZINC000096160046 222059920 /nfs/dbraw/zinc/05/99/20/222059920.db2.gz JJBHTFOZPILEQL-SFHVURJKSA-N 0 3 371.485 2.693 50 0 FFAAHN CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cc[nH]c2C)CN1CC1CCCC1 ZINC000096163615 222062837 /nfs/dbraw/zinc/06/28/37/222062837.db2.gz GMWJWTPNECQJAJ-HKUYNNGSSA-N 0 3 374.529 2.554 50 0 FFAAHN O=C(NCCN1CCCC[C@@H]1CO)Nc1ccc(Oc2ccccc2)nc1 ZINC000096165591 222064406 /nfs/dbraw/zinc/06/44/06/222064406.db2.gz GTRVECZQADVZCS-QGZVFWFLSA-N 0 3 370.453 2.842 50 0 FFAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)CCc2csc(N)n2)C1 ZINC000097729825 222209480 /nfs/dbraw/zinc/20/94/80/222209480.db2.gz OWDGYQDFQPVJFH-HNNXBMFYSA-N 0 3 358.511 2.572 50 0 FFAAHN Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](N)Cc2c[nH]cn2)ccc1F ZINC000102685031 222303639 /nfs/dbraw/zinc/30/36/39/222303639.db2.gz ABORJUNHBTVOPQ-RUENVJTFSA-N 0 3 356.445 2.664 50 0 FFAAHN Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](N)Cc2cnc[nH]2)ccc1F ZINC000102685031 222303644 /nfs/dbraw/zinc/30/36/44/222303644.db2.gz ABORJUNHBTVOPQ-RUENVJTFSA-N 0 3 356.445 2.664 50 0 FFAAHN CC(C)(C)CN1CCN(Cc2cnn(-c3ccccc3)c2)C[C@H]1CCO ZINC000104317297 222355074 /nfs/dbraw/zinc/35/50/74/222355074.db2.gz PMPNSZNOPWXXMC-HXUWFJFHSA-N 0 3 356.514 2.787 50 0 FFAAHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(SC(F)(F)F)cc1 ZINC000106530995 222386187 /nfs/dbraw/zinc/38/61/87/222386187.db2.gz SUZZUOMXVZVGER-STQMWFEESA-N 0 3 360.401 2.892 50 0 FFAAHN CCn1cc(Cl)c(C(=O)N(Cc2cccnc2)C2CCN(C)CC2)n1 ZINC000097757819 263431952 /nfs/dbraw/zinc/43/19/52/263431952.db2.gz DNRSBQJKRGISMX-UHFFFAOYSA-N 0 3 361.877 2.688 50 0 FFAAHN O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000032400779 506247944 /nfs/dbraw/zinc/24/79/44/506247944.db2.gz VSHDTJYOKJTZOF-LJQANCHMSA-N 0 3 363.461 2.677 50 0 FFAAHN COC(=O)c1ccc(OC[C@@H](O)CN(C)Cc2ccc(Cl)cc2)cc1 ZINC000032686283 506278490 /nfs/dbraw/zinc/27/84/90/506278490.db2.gz HEHXEQARKHQGBK-KRWDZBQOSA-N 0 3 363.841 2.998 50 0 FFAAHN COc1cc(CN2CCC[C@H](C(=O)N3CCCC3)C2)cc(OC)c1OC ZINC000002734739 506290003 /nfs/dbraw/zinc/29/00/03/506290003.db2.gz HQLNLOBMQOWZIR-INIZCTEOSA-N 0 3 362.470 2.547 50 0 FFAAHN CCN1C[C@H](CN(C)C[C@@H](O)COc2ccccc2F)Oc2ccccc21 ZINC000032814666 506298048 /nfs/dbraw/zinc/29/80/48/506298048.db2.gz CCRZBXDKCQCKKJ-SJORKVTESA-N 0 3 374.456 2.785 50 0 FFAAHN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](C)N1CCCC1 ZINC000032824240 506300484 /nfs/dbraw/zinc/30/04/84/506300484.db2.gz BZGAHTUDNPUPLD-WMLDXEAASA-N 0 3 365.905 2.695 50 0 FFAAHN COc1ccccc1OCCNCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000003338883 506321648 /nfs/dbraw/zinc/32/16/48/506321648.db2.gz MNYHZZYRENHYBO-KRWDZBQOSA-N 0 3 356.466 2.801 50 0 FFAAHN CC1(C)CC(NC(=O)c2nc[n-]c2C(=O)Nc2ccccc2)CC(C)(C)[NH2+]1 ZINC000004625278 506385839 /nfs/dbraw/zinc/38/58/39/506385839.db2.gz BSGJRVLTKIQYHR-UHFFFAOYSA-N 0 3 369.469 2.701 50 0 FFAAHN CC1(C)CC(NC(=O)c2[n-]cnc2C(=O)Nc2ccccc2)CC(C)(C)[NH2+]1 ZINC000004625278 506385844 /nfs/dbraw/zinc/38/58/44/506385844.db2.gz BSGJRVLTKIQYHR-UHFFFAOYSA-N 0 3 369.469 2.701 50 0 FFAAHN CCCCCCN(CCC(=O)NCCN(C)C)C(=O)c1cc(C)oc1C ZINC000004914498 506406685 /nfs/dbraw/zinc/40/66/85/506406685.db2.gz 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/nfs/dbraw/zinc/54/22/83/506542283.db2.gz NPAYZJVDWGQNAR-RYUDHWBXSA-N 0 3 350.260 2.935 50 0 FFAAHN Cn1nnnc1SCCNCc1ccccc1OCc1ccccc1F ZINC000008590863 506658747 /nfs/dbraw/zinc/65/87/47/506658747.db2.gz GARHNQJRRZZVKZ-UHFFFAOYSA-N 0 3 373.457 2.810 50 0 FFAAHN COc1ccc([C@H](CNC(=O)c2cnn(-c3ccccc3)c2)N(C)C)cc1 ZINC000009479430 506700103 /nfs/dbraw/zinc/70/01/03/506700103.db2.gz LEFNXZPBDOGXHT-FQEVSTJZSA-N 0 3 364.449 2.914 50 0 FFAAHN O=C(NC(=S)NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000010451157 506742247 /nfs/dbraw/zinc/74/22/47/506742247.db2.gz DVQNKOIBZZCQIL-UHFFFAOYSA-N 0 3 353.491 2.956 50 0 FFAAHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc(Cl)c[nH]c2=O)s1 ZINC000055415124 506746775 /nfs/dbraw/zinc/74/67/75/506746775.db2.gz IYDGAHFMQMSFSO-UHFFFAOYSA-N 0 3 353.875 2.602 50 0 FFAAHN Fc1ccc(-n2cccn2)c(CN[C@H]2CCCN(c3ncccn3)C2)c1 ZINC000011818767 506796962 /nfs/dbraw/zinc/79/69/62/506796962.db2.gz WQRNYJFFXIWWLD-KRWDZBQOSA-N 0 3 352.417 2.560 50 0 FFAAHN O=C(NC[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1)c1ccco1 ZINC000011879888 506801270 /nfs/dbraw/zinc/80/12/70/506801270.db2.gz WZEGVGBZQTXXBA-MRXNPFEDSA-N 0 3 356.422 2.693 50 0 FFAAHN Cc1ccccc1CNC[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000011957458 506805219 /nfs/dbraw/zinc/80/52/19/506805219.db2.gz ADHGZSHTCOHQAM-NRFANRHFSA-N 0 3 374.431 2.917 50 0 FFAAHN O=C1O[C@@H]2CN(Cc3ccc(Cl)s3)C[C@@H]2N1CCN1CCCCC1 ZINC000011998394 506807105 /nfs/dbraw/zinc/80/71/05/506807105.db2.gz GSXFCIDDGYSDLF-LSDHHAIUSA-N 0 3 369.918 2.892 50 0 FFAAHN CN(C)c1cc(N2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)ncn1 ZINC000012436316 506864616 /nfs/dbraw/zinc/86/46/16/506864616.db2.gz HJXYJPBKKBHHGE-LJQANCHMSA-N 0 3 366.513 2.676 50 0 FFAAHN CCCCc1ncc(CN2CCC[C@@H](CNC(=O)c3cccnc3)C2)[nH]1 ZINC000012445738 506866741 /nfs/dbraw/zinc/86/67/41/506866741.db2.gz CVKUXRQFGAKLJD-INIZCTEOSA-N 0 3 355.486 2.789 50 0 FFAAHN Cc1ccc(CN(C)C[C@@]2(O)CCCN(Cc3ccccc3F)C2=O)o1 ZINC000012470274 506867978 /nfs/dbraw/zinc/86/79/78/506867978.db2.gz IVRQPMQDQOZICP-FQEVSTJZSA-N 0 3 360.429 2.713 50 0 FFAAHN CCN(CC)CC(=O)N(C)CC1CCN(CCc2ccccc2F)CC1 ZINC000012577773 506880295 /nfs/dbraw/zinc/88/02/95/506880295.db2.gz DQWDFRZXLZHYEL-UHFFFAOYSA-N 0 3 363.521 2.880 50 0 FFAAHN Cc1c(NC(=O)[C@H](C)N2C[C@@H](C)C[C@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000012601459 506881970 /nfs/dbraw/zinc/88/19/70/506881970.db2.gz SYGMLVDCRSEUQO-ZOBUZTSGSA-N 0 3 370.497 2.789 50 0 FFAAHN CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)CCN3CCCO3)C2)cc1 ZINC000012704289 506889131 /nfs/dbraw/zinc/88/91/31/506889131.db2.gz QEQICQUZFMQMII-NRFANRHFSA-N 0 3 373.541 2.993 50 0 FFAAHN O=C1N(CC2CC2)CCC[C@]1(O)CNCc1ccccc1C(F)(F)F ZINC000012750481 506896016 /nfs/dbraw/zinc/89/60/16/506896016.db2.gz NALULMMRAMKJBV-KRWDZBQOSA-N 0 3 356.388 2.559 50 0 FFAAHN CCc1ncc(CN2CC[C@H](C3CCN(c4ncccn4)CC3)C2)cn1 ZINC000014968103 507009746 /nfs/dbraw/zinc/00/97/46/507009746.db2.gz FWWZYHUDQXHIMX-SFHVURJKSA-N 0 3 352.486 2.568 50 0 FFAAHN CCc1cc2c(ncnc2N2CCC(C(N)=O)(N3CCCCC3)CC2)s1 ZINC000021651674 507262027 /nfs/dbraw/zinc/26/20/27/507262027.db2.gz XQFURJCLLATING-UHFFFAOYSA-N 0 3 373.526 2.564 50 0 FFAAHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)Cc1ccccc1F ZINC000058154301 507375168 /nfs/dbraw/zinc/37/51/68/507375168.db2.gz LTGSLDQQHDQPEJ-QGZVFWFLSA-N 0 3 364.461 2.634 50 0 FFAAHN CCOC(=O)NCC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000058165905 507376549 /nfs/dbraw/zinc/37/65/49/507376549.db2.gz AFGISFWEHFCNSB-UHFFFAOYSA-N 0 3 369.465 2.778 50 0 FFAAHN CC(=O)N1CCC(NC(=O)CN(CC2CC2)[C@H](C)c2ccccc2)CC1 ZINC000058200855 507383169 /nfs/dbraw/zinc/38/31/69/507383169.db2.gz IBEWRKOBQWMRHE-MRXNPFEDSA-N 0 3 357.498 2.587 50 0 FFAAHN COc1ccc(CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cn1 ZINC000058203212 507384992 /nfs/dbraw/zinc/38/49/92/507384992.db2.gz CAQSSERTFGKURV-MRXNPFEDSA-N 0 3 374.510 2.863 50 0 FFAAHN CC(=O)c1ccc(S(=O)(=O)NC2CCN(CC3CCCC3)CC2)cc1 ZINC000058217638 507388998 /nfs/dbraw/zinc/38/89/98/507388998.db2.gz ROBIULMTJFDOGN-UHFFFAOYSA-N 0 3 364.511 2.822 50 0 FFAAHN CCc1nc2ccccc2n1CC(=O)NCc1ccccc1CN(C)C ZINC000024084646 507391853 /nfs/dbraw/zinc/39/18/53/507391853.db2.gz WMGSVMXATJITEC-UHFFFAOYSA-N 0 3 350.466 2.977 50 0 FFAAHN CC(C(=O)NC(C)(C)C)S(=O)(=O)c1nc(-c2ccccc2)cs1 ZINC000047941744 507421439 /nfs/dbraw/zinc/42/14/39/507421439.db2.gz RXPMUAVNRBJZFW-NSHDSACASA-N 0 3 352.481 2.887 50 0 FFAAHN Cc1cccc(OCCN(C)C[C@@H](O)COCc2ccc3c(c2)OCO3)c1 ZINC000025698304 507523922 /nfs/dbraw/zinc/52/39/22/507523922.db2.gz UDXUUZARRVGXAX-GOSISDBHSA-N 0 3 373.449 2.612 50 0 FFAAHN CCc1noc(CN2C[C@H](c3cccc(OC)c3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000072143211 507756917 /nfs/dbraw/zinc/75/69/17/507756917.db2.gz MMUZHJVTDARZGM-DUXKGJEZSA-N 0 3 368.481 2.703 50 0 FFAAHN COc1ccc(-n2cccn2)c(CN[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000072156965 507763033 /nfs/dbraw/zinc/76/30/33/507763033.db2.gz XARHPIJUWLRVHD-KRWDZBQOSA-N 0 3 362.433 2.776 50 0 FFAAHN Cc1ccc(Cl)c(O[C@H](C)C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000072278355 507772602 /nfs/dbraw/zinc/77/26/02/507772602.db2.gz HEDDQHBHQKNXRA-HZPDHXFCSA-N 0 3 368.905 2.985 50 0 FFAAHN Cc1cc(C)n(CC2(Cn3ccnc3-c3cc4n(n3)CCCNC4)CC2)n1 ZINC000072425098 507788539 /nfs/dbraw/zinc/78/85/39/507788539.db2.gz IGWHKMHSJDRHKT-UHFFFAOYSA-N 0 3 365.485 2.534 50 0 FFAAHN CN(Cc1ccccc1)[C@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@@H]1O ZINC000072434566 507791514 /nfs/dbraw/zinc/79/15/14/507791514.db2.gz KUNRWIWGPSYZHV-ROUUACIJSA-N 0 3 367.474 2.614 50 0 FFAAHN c1cn(CCCc2nc3ccccc3[nH]2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072448246 507793440 /nfs/dbraw/zinc/79/34/40/507793440.db2.gz XAUHAAYDYWYYBO-UHFFFAOYSA-N 0 3 361.453 2.749 50 0 FFAAHN CCC[C@@H](C)N1CC2(CCN(CC(C)(C)N3CCOCC3)CC2)OC1=O ZINC000072462923 507794071 /nfs/dbraw/zinc/79/40/71/507794071.db2.gz BIUOGQNWOICHCR-QGZVFWFLSA-N 0 3 367.534 2.573 50 0 FFAAHN CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]cn3)C2)cc1 ZINC000072476446 507796300 /nfs/dbraw/zinc/79/63/00/507796300.db2.gz CIASVWNSSYWGQU-GOSISDBHSA-N 0 3 355.482 2.853 50 0 FFAAHN CC(C)(O)CCc1ccc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]cn3)C2)cc1 ZINC000072476446 507796303 /nfs/dbraw/zinc/79/63/03/507796303.db2.gz CIASVWNSSYWGQU-GOSISDBHSA-N 0 3 355.482 2.853 50 0 FFAAHN O=C1C[C@H]([C@@H]2CCCCN2Cc2cc(Cl)c3c(c2)OCCCO3)CN1 ZINC000108365460 507889972 /nfs/dbraw/zinc/88/99/72/507889972.db2.gz IEBKDJLDBPOSPT-HOCLYGCPSA-N 0 3 364.873 2.992 50 0 FFAAHN Cn1cc(CCN2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)cn1 ZINC000091305916 507979742 /nfs/dbraw/zinc/97/97/42/507979742.db2.gz LQIJFRVSUBCMAE-UHFFFAOYSA-N 0 3 366.509 2.867 50 0 FFAAHN Cc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NC3CCCCCC3)C2)cc1 ZINC000091391347 507982900 /nfs/dbraw/zinc/98/29/00/507982900.db2.gz KFWAYTODQLIGLZ-SJORKVTESA-N 0 3 357.498 2.998 50 0 FFAAHN Cc1ccc2[nH]c(=O)c(CN3CC[C@@](O)(C4CCOCC4)[C@H](C)C3)cc2c1 ZINC000091624899 507997229 /nfs/dbraw/zinc/99/72/29/507997229.db2.gz AYXBDUMLXINCMR-ZHRRBRCNSA-N 0 3 370.493 2.836 50 0 FFAAHN O=C(c1ccc2cccc(F)c2n1)N1CCCO[C@@H](CN2CCCC2)C1 ZINC000091664764 508000167 /nfs/dbraw/zinc/00/01/67/508000167.db2.gz MILXSXJMHNMQHW-INIZCTEOSA-N 0 3 357.429 2.701 50 0 FFAAHN c1cc(CN2C[C@H]3CC[C@H](CN3Cc3ccc4c(c3)OCCO4)C2)ccn1 ZINC000091738505 508006091 /nfs/dbraw/zinc/00/60/91/508006091.db2.gz CEFMONKVOVWDPL-VQTJNVASSA-N 0 3 365.477 2.949 50 0 FFAAHN COc1cccc([C@H]2CN(C(=O)c3ccc(Cl)cc3OC)C[C@@H]2N)c1 ZINC000091747085 508007688 /nfs/dbraw/zinc/00/76/88/508007688.db2.gz VQEVMEDJHSOLKQ-SJORKVTESA-N 0 3 360.841 2.924 50 0 FFAAHN O=C(CCCN1CCCC1=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095363423 508176642 /nfs/dbraw/zinc/17/66/42/508176642.db2.gz CWLHWAMBXRQGPY-WOJBJXKFSA-N 0 3 369.509 2.512 50 0 FFAAHN Cc1ccccc1[C@@H](C(=O)N1CCC(N2CCSCC2)CC1)N(C)C ZINC000095362609 508176881 /nfs/dbraw/zinc/17/68/81/508176881.db2.gz FPEMZMXZSMCRIA-IBGZPJMESA-N 0 3 361.555 2.638 50 0 FFAAHN Cc1cccc(C)c1CN1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2 ZINC000095376311 508179966 /nfs/dbraw/zinc/17/99/66/508179966.db2.gz OFMBIWCZGHKLJC-QZTJIDSGSA-N 0 3 350.466 2.830 50 0 FFAAHN O=C(c1ccc(Cn2cccn2)o1)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 ZINC000095379565 508180421 /nfs/dbraw/zinc/18/04/21/508180421.db2.gz QIKOLPFLVPPZJT-QZTJIDSGSA-N 0 3 368.481 2.861 50 0 FFAAHN COc1cccc([C@H]2CN(c3cc(OC)ncn3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095381240 508181310 /nfs/dbraw/zinc/18/13/10/508181310.db2.gz OPOTZGPSYGCSLN-DUXKGJEZSA-N 0 3 366.465 2.560 50 0 FFAAHN COc1ccc2c(c1)OC[C@]1(CO)CN(Cc3ccc(OC)c(C)c3)C[C@H]21 ZINC000095385084 508182255 /nfs/dbraw/zinc/18/22/55/508182255.db2.gz DPHNHRFPSPJLOK-DENIHFKCSA-N 0 3 369.461 2.983 50 0 FFAAHN CN(C)Cc1ccc(CSCCNC(=O)[C@H]2CCCCCN2C)o1 ZINC000095391263 508183922 /nfs/dbraw/zinc/18/39/22/508183922.db2.gz BDSYLQFQRGUQFZ-QGZVFWFLSA-N 0 3 353.532 2.565 50 0 FFAAHN Cc1ccc(N2C[C@@H](C(=O)N(C)[C@H](C)C3CCN(C)CC3)CC2=O)cc1 ZINC000095450527 508185829 /nfs/dbraw/zinc/18/58/29/508185829.db2.gz YZNUWNYNRPPUSS-AEFFLSMTSA-N 0 3 357.498 2.537 50 0 FFAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)[C@H]2CCCCO2)cc1 ZINC000095501593 508190667 /nfs/dbraw/zinc/19/06/67/508190667.db2.gz CWBNRDKLFCDKDJ-OAQYLSRUSA-N 0 3 374.525 2.977 50 0 FFAAHN CC(C)N1CCC(C(=O)N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)CC1 ZINC000095507256 508191838 /nfs/dbraw/zinc/19/18/38/508191838.db2.gz GFTIPAIKNPOPNJ-NRFANRHFSA-N 0 3 356.466 2.743 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)CN(C)c3ccccc3)C[C@H]2N(C)C)cc1 ZINC000095509186 508192580 /nfs/dbraw/zinc/19/25/80/508192580.db2.gz HLWJKNWDWPCCFN-LEWJYISDSA-N 0 3 367.493 2.688 50 0 FFAAHN CC(C)c1cc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)on1 ZINC000095511085 508192947 /nfs/dbraw/zinc/19/29/47/508192947.db2.gz YKNQDDGTKADBPR-HNNXBMFYSA-N 0 3 359.474 2.576 50 0 FFAAHN C[C@@H](C1CCN(C(=O)c2ccc(F)cc2Cl)CC1)N1CCN(C)CC1 ZINC000082119984 508226367 /nfs/dbraw/zinc/22/63/67/508226367.db2.gz BRBUHSQRFOALJJ-AWEZNQCLSA-N 0 3 367.896 2.967 50 0 FFAAHN COCc1ccc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)o1 ZINC000077319684 508299966 /nfs/dbraw/zinc/29/99/66/508299966.db2.gz JMZXBGFSEVKJLP-UHFFFAOYSA-N 0 3 354.450 2.741 50 0 FFAAHN COc1c(C)cc(C)cc1CN1CCC[C@]2(CCC(=O)N(CCO)C2)C1 ZINC000077390104 508309646 /nfs/dbraw/zinc/30/96/46/508309646.db2.gz FIHDBQBEFSUWAV-NRFANRHFSA-N 0 3 360.498 2.509 50 0 FFAAHN CC(C)Oc1ccc(CN2CCC[C@]3(CCC(=O)N(CCO)C3)C2)cc1 ZINC000077470589 508319741 /nfs/dbraw/zinc/31/97/41/508319741.db2.gz MERQPEJZBUULJR-NRFANRHFSA-N 0 3 360.498 2.671 50 0 FFAAHN C[C@@H](C1CCN(c2noc(-c3ccccc3)n2)CC1)N1CCN(C)CC1 ZINC000077470608 508320050 /nfs/dbraw/zinc/32/00/50/508320050.db2.gz SUUYOUGDFHKTBT-INIZCTEOSA-N 0 3 355.486 2.589 50 0 FFAAHN COc1ccc2[nH]nc(CN3CCCC[C@H]3CCN3CCCC3=O)c2c1 ZINC000077521281 508327294 /nfs/dbraw/zinc/32/72/94/508327294.db2.gz VBWZZNVSPYZWLE-HNNXBMFYSA-N 0 3 356.470 2.939 50 0 FFAAHN COc1ccc2n[nH]c(CN3CCCC[C@H]3CCN3CCCC3=O)c2c1 ZINC000077521281 508327297 /nfs/dbraw/zinc/32/72/97/508327297.db2.gz VBWZZNVSPYZWLE-HNNXBMFYSA-N 0 3 356.470 2.939 50 0 FFAAHN CN(C)c1cccc(C(=O)N(Cc2cccnc2)C2CCN(C)CC2)c1 ZINC000077565747 508335090 /nfs/dbraw/zinc/33/50/90/508335090.db2.gz AGIRHYNOZZWFMW-UHFFFAOYSA-N 0 3 352.482 2.884 50 0 FFAAHN c1cn(CCCOc2ccccc2CN2CCC(c3nnc[nH]3)CC2)cn1 ZINC000215076099 509245304 /nfs/dbraw/zinc/24/53/04/509245304.db2.gz QMRHNWGRVQBVRC-UHFFFAOYSA-N 0 3 366.469 2.850 50 0 FFAAHN CN1CCN(CC[C@@H]2CCCCN2C(=O)c2cnc3ccccc3c2)CC1 ZINC000218795783 509282475 /nfs/dbraw/zinc/28/24/75/509282475.db2.gz HJFUVVIQSZMJCO-FQEVSTJZSA-N 0 3 366.509 2.867 50 0 FFAAHN Cc1nc2cc(F)c(F)cc2n1CC(=O)NCCN(C)Cc1ccccc1 ZINC000225417389 509370507 /nfs/dbraw/zinc/37/05/07/509370507.db2.gz SCLNLIJLZSUFDO-UHFFFAOYSA-N 0 3 372.419 2.871 50 0 FFAAHN COc1cc(NC(=O)CN(CCO)[C@@H](C)C2CCCCC2)cc(OC)c1 ZINC000225535543 509375297 /nfs/dbraw/zinc/37/52/97/509375297.db2.gz JTDZCFBHPIRDIM-HNNXBMFYSA-N 0 3 364.486 2.905 50 0 FFAAHN C[C@@H]1CN(C[C@H]2CCCN2Cc2cc(F)cc3c2OCOC3)C[C@H](C)O1 ZINC000229780599 509429549 /nfs/dbraw/zinc/42/95/49/509429549.db2.gz CQWAJYFDXVJSGK-ZRGWGRIASA-N 0 3 364.461 2.766 50 0 FFAAHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)CSC(C)(C)C ZINC000170601436 509677263 /nfs/dbraw/zinc/67/72/63/509677263.db2.gz SPDSVIYURYVPOQ-IBGZPJMESA-N 0 3 350.528 2.614 50 0 FFAAHN c1cc(CN2CCOCC2)cc(-c2noc(C34CCCN3CCC4)n2)c1 ZINC000242324353 509844524 /nfs/dbraw/zinc/84/45/24/509844524.db2.gz ZANCJLFIQUODDN-UHFFFAOYSA-N 0 3 354.454 2.654 50 0 FFAAHN CN(C)CCOc1cccc(C[N@@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC000244633527 509861075 /nfs/dbraw/zinc/86/10/75/509861075.db2.gz GELBABXWJJPZKA-JOCHJYFZSA-N 0 3 368.477 2.855 50 0 FFAAHN CN(C)CCOc1cccc(C[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC000244633527 509861084 /nfs/dbraw/zinc/86/10/84/509861084.db2.gz GELBABXWJJPZKA-JOCHJYFZSA-N 0 3 368.477 2.855 50 0 FFAAHN CN(C)Cc1cccc(CNC(=O)N2CC(OCc3ccccc3F)C2)c1 ZINC000426512337 513965620 /nfs/dbraw/zinc/96/56/20/513965620.db2.gz VHCKYXKNJMPKGH-UHFFFAOYSA-N 0 3 371.456 2.998 50 0 FFAAHN Cc1cn2c(n1)[C@@H](CNC(=O)NC[C@@H]1CCN1C1CCCCC1)CCC2 ZINC000527827443 517939407 /nfs/dbraw/zinc/93/94/07/517939407.db2.gz ZRTGQWCDNXMLMQ-AEFFLSMTSA-N 0 3 359.518 2.775 50 0 FFAAHN O=C(Cc1c(F)cccc1Cl)NCC1CCN([C@H]2CCOC2)CC1 ZINC000575608882 518234060 /nfs/dbraw/zinc/23/40/60/518234060.db2.gz WBXSCJHQQPMICH-AWEZNQCLSA-N 0 3 354.853 2.639 50 0 FFAAHN CC(=O)c1ccc(C(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)s1 ZINC000082107080 518321365 /nfs/dbraw/zinc/32/13/65/518321365.db2.gz DEWWGYIZOIJPQL-UHFFFAOYSA-N 0 3 374.510 2.939 50 0 FFAAHN COc1c(N)ccnc1-c1ccc(C(=O)NCCCn2ccnc2C)cc1 ZINC000584885536 518521538 /nfs/dbraw/zinc/52/15/38/518521538.db2.gz GGUVIAUIPOEJFM-UHFFFAOYSA-N 0 3 365.437 2.664 50 0 FFAAHN CCc1csc(CNC(=O)c2ccc(N(C)C[C@@H]3CCCN3C)nc2)n1 ZINC000020540958 522101574 /nfs/dbraw/zinc/10/15/74/522101574.db2.gz WKZVJFAPOBGEJZ-INIZCTEOSA-N 0 3 373.526 2.561 50 0 FFAAHN CCn1c(CN2CCCC2)nnc1C1CCN(Cc2ccncc2)CC1 ZINC000082146224 523187587 /nfs/dbraw/zinc/18/75/87/523187587.db2.gz RCYFBNOADUSRGS-UHFFFAOYSA-N 0 3 354.502 2.668 50 0 FFAAHN CCc1ccc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)o1 ZINC000239359529 523889327 /nfs/dbraw/zinc/88/93/27/523889327.db2.gz AEMZDNNPULSRJF-IBGZPJMESA-N 0 3 355.482 2.951 50 0 FFAAHN COc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)c(C)c1 ZINC000082109466 524029438 /nfs/dbraw/zinc/02/94/38/524029438.db2.gz WPPWJKSBHKNQLI-OAQYLSRUSA-N 0 3 360.498 2.591 50 0 FFAAHN COc1ccc(CNC[C@H](C)NCc2ccc(OC)c(OC)c2)cc1OC ZINC000020034831 524072004 /nfs/dbraw/zinc/07/20/04/524072004.db2.gz ANGZRUFMMINUAK-HNNXBMFYSA-N 0 3 374.481 2.989 50 0 biogenic FFAAHN C[C@H]1CCCN(CCNC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000249796544 524090265 /nfs/dbraw/zinc/09/02/65/524090265.db2.gz XBZZSIYNJFORQU-DLBZAZTESA-N 0 3 362.493 2.683 50 0 FFAAHN O=C1C[C@@H](NCc2cc(=O)c3ccccc3[nH]2)CN1Cc1ccc(F)cc1 ZINC000020256841 527020353 /nfs/dbraw/zinc/02/03/53/527020353.db2.gz GWJIIVJISXBMMJ-QGZVFWFLSA-N 0 3 365.408 2.558 50 0 FFAAHN CC[C@H](C)[C@H](N)C(=O)N1CCC(Cn2cc(-c3ccc(F)cc3)nn2)CC1 ZINC000048477916 570955549 /nfs/dbraw/zinc/95/55/49/570955549.db2.gz RAVSYWSWPCQPEP-LIRRHRJNSA-N 0 3 373.476 2.696 50 0 FFAAHN COc1cc(CNCc2ccc(CN3CCN(C)CC3)cc2)cc(OC)c1 ZINC000048782969 570959692 /nfs/dbraw/zinc/95/96/92/570959692.db2.gz VRXCQWBPYHMHOX-UHFFFAOYSA-N 0 3 369.509 2.741 50 0 FFAAHN CC(C)n1cnnc1CCNCc1cc2c(cc1OC(F)F)OCO2 ZINC000084633256 571093711 /nfs/dbraw/zinc/09/37/11/571093711.db2.gz GFGWETOKNGKJGW-UHFFFAOYSA-N 0 3 354.357 2.521 50 0 FFAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)Cn2ncc3ccccc32)C1 ZINC000670444405 571349746 /nfs/dbraw/zinc/34/97/46/571349746.db2.gz PSXMVFFBEDTHGU-IBGZPJMESA-N 0 3 362.477 2.950 50 0 FFAAHN CCN1CCCn2nc([C@H]3CCCN(Cc4c(C)noc4C)C3)cc2C1=O ZINC000675009123 971479758 /nfs/dbraw/zinc/47/97/58/971479758.db2.gz GORDMOADKLNWSO-INIZCTEOSA-N 0 3 371.485 2.733 50 0 FFAAHN Cc1c(CN2CCC3(C[C@@H]3C(=O)NCc3ccccc3)CC2)cnn1C ZINC000011971976 987846418 /nfs/dbraw/zinc/84/64/18/987846418.db2.gz BGRDPZNZFLPVDC-LJQANCHMSA-N 0 3 352.482 2.647 50 0 FFAAHN Cc1cnc(C2CCOCC2)n1CCNC(=O)[C@H]1CCN1C1CCCCC1 ZINC000581813038 999947432 /nfs/dbraw/zinc/94/74/32/999947432.db2.gz MZPJRAZMARQMQD-LJQANCHMSA-N 0 3 374.529 2.609 50 0 FFAAHN COc1cc(CN2CC[C@H](Nc3ncnc4cc(C)[nH]c43)C2)cc(OC)c1 ZINC000585082372 1008252682 /nfs/dbraw/zinc/25/26/82/1008252682.db2.gz KHQXAFOHDUKXOB-HNNXBMFYSA-N 0 3 367.453 2.970 50 0 FFAAHN COCCN1CC[C@H](C(=O)Nc2ncc(Cc3cccc(F)c3)s2)C1 ZINC001506397085 1059488989 /nfs/dbraw/zinc/48/89/89/1059488989.db2.gz YLSVUTMLXZKPMP-AWEZNQCLSA-N 0 3 363.458 2.780 50 0 FFAAHN Cc1[nH]nc(CN2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)c1Cl ZINC001529113270 1062169157 /nfs/dbraw/zinc/16/91/57/1062169157.db2.gz DKVVKKNZDKEGGU-RDTXWAMCSA-N 0 3 356.857 2.955 50 0 FFAAHN CN1CCN(C[C@H]2CCCN(C(=O)c3ccc4c(c3)CCCC4)C2)CC1 ZINC000221376571 222724984 /nfs/dbraw/zinc/72/49/84/222724984.db2.gz RWPJQZXEABYOTG-GOSISDBHSA-N 0 3 355.526 2.665 50 0 FFAAHN CCOc1ccc(N2C(=O)C[C@H](NCCc3ccc(OC)cc3)C2=O)cc1 ZINC000000855385 219331901 /nfs/dbraw/zinc/33/19/01/219331901.db2.gz ICGPJYQGMGIENK-IBGZPJMESA-N 0 3 368.433 2.558 50 0 FFAAHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cccc(-c2cncnc2)c1 ZINC000299759283 223083227 /nfs/dbraw/zinc/08/32/27/223083227.db2.gz PWGWPFYJIDKMKU-FQEVSTJZSA-N 0 3 366.465 2.517 50 0 FFAAHN Cc1cc(-c2cccc(C(=O)N[C@@H]3CNCC[C@H]3O)c2)c2ccccc2n1 ZINC000299764011 223085704 /nfs/dbraw/zinc/08/57/04/223085704.db2.gz QLOBGCAPSYGBEB-NHCUHLMSSA-N 0 3 361.445 2.663 50 0 FFAAHN COCCN1CCC(CNC(=O)[C@]2(c3cccs3)CC2(C)C)CC1 ZINC000299773177 223090974 /nfs/dbraw/zinc/09/09/74/223090974.db2.gz CUISAEAZLUUDJX-LJQANCHMSA-N 0 3 350.528 2.890 50 0 FFAAHN NC(=O)NC(=O)[C@@H](NCCCCOc1ccc(F)cc1)c1ccccc1 ZINC000012928824 220044565 /nfs/dbraw/zinc/04/45/65/220044565.db2.gz LVYNFZUQMNPKHG-KRWDZBQOSA-N 0 3 359.401 2.511 50 0 FFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000013326748 220064066 /nfs/dbraw/zinc/06/40/66/220064066.db2.gz WHDFLNZSZASKNG-UHFFFAOYSA-N 0 3 352.434 2.852 50 0 FFAAHN CN(C[C@H]1CCCN1C)C(=O)c1coc(COc2cccc(F)c2F)n1 ZINC000014960366 220137669 /nfs/dbraw/zinc/13/76/69/220137669.db2.gz OMXLILQSWWRLGE-GFCCVEGCSA-N 0 3 365.380 2.698 50 0 FFAAHN COc1cc(C)c(CN2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1C ZINC000019742674 220291389 /nfs/dbraw/zinc/29/13/89/220291389.db2.gz UBQWQVJHILFCEW-KRWDZBQOSA-N 0 3 356.470 2.813 50 0 FFAAHN COC(=O)C1=C(CN2CCCC[C@@H]2C)NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000020518244 220331388 /nfs/dbraw/zinc/33/13/88/220331388.db2.gz GDARBXUVMYRJPW-HNAYVOBHSA-N 0 3 371.481 2.959 50 0 FFAAHN CC(C)(CNC(=O)c1cccc(NC(=O)NC2CC2)c1)N1CCCCC1 ZINC000048374300 221012170 /nfs/dbraw/zinc/01/21/70/221012170.db2.gz VHMONQVZZFGVRH-UHFFFAOYSA-N 0 3 358.486 2.965 50 0 FFAAHN COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318337 221034633 /nfs/dbraw/zinc/03/46/33/221034633.db2.gz RUCYBXCUZNINAX-SFHVURJKSA-N 0 3 357.454 2.652 50 0 FFAAHN CC(C)Cc1nc(CN(C)C(=O)[C@H]2CCCN(Cc3ccco3)C2)no1 ZINC000055253697 221064910 /nfs/dbraw/zinc/06/49/10/221064910.db2.gz GCMZOONNJMNEDU-HNNXBMFYSA-N 0 3 360.458 2.732 50 0 FFAAHN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)NC1CCN(Cc2ccccc2)CC1 ZINC000053756266 221048184 /nfs/dbraw/zinc/04/81/84/221048184.db2.gz BFJKZZFDKAJHSU-LEWJYISDSA-N 0 3 365.477 2.609 50 0 FFAAHN CCN(C[C@@H]1CCN(C)C1)C(=O)CCC(=O)NC1CCCCCCC1 ZINC000055403063 221069261 /nfs/dbraw/zinc/06/92/61/221069261.db2.gz SFLYOWMWQIJHBX-QGZVFWFLSA-N 0 3 351.535 2.796 50 0 FFAAHN Cc1cccc(-c2ncc(CN(CCN(C)C)C[C@@H]3CCCO3)cn2)c1 ZINC000055414424 221069471 /nfs/dbraw/zinc/06/94/71/221069471.db2.gz GWRSTZBTGVVIKE-FQEVSTJZSA-N 0 3 354.498 2.995 50 0 FFAAHN O=C1CCCN1CCCN1CCN(Cc2cccc3ccccc32)CC1 ZINC000058180375 221103935 /nfs/dbraw/zinc/10/39/35/221103935.db2.gz WMGSEUBTKLOZMM-UHFFFAOYSA-N 0 3 351.494 2.970 50 0 FFAAHN COc1ccc2[nH]c(=O)c(CCC(=O)NCCN3CCCCCC3)cc2c1 ZINC000065245544 221185797 /nfs/dbraw/zinc/18/57/97/221185797.db2.gz ABQHXODMUQMMDD-UHFFFAOYSA-N 0 3 371.481 2.874 50 0 FFAAHN O=C1CCCN1C[C@H]1CCCN(Cc2cc(F)ccc2-n2cccn2)C1 ZINC000065396099 221211173 /nfs/dbraw/zinc/21/11/73/221211173.db2.gz QDDNWWHIRXFAIK-INIZCTEOSA-N 0 3 356.445 2.846 50 0 FFAAHN CN1CCCN(CC(=O)NCc2cccc(Oc3ccccc3)c2)CC1 ZINC000065467080 221223128 /nfs/dbraw/zinc/22/31/28/221223128.db2.gz VHVAZGSCQGXSRC-UHFFFAOYSA-N 0 3 353.466 2.733 50 0 FFAAHN CC[C@@H]1CN(C(=O)c2ccccc2N(C)C(=O)c2cccs2)CCN1 ZINC000067435087 221254676 /nfs/dbraw/zinc/25/46/76/221254676.db2.gz QFIHCBSVVBWVGB-CQSZACIVSA-N 0 3 357.479 2.849 50 0 FFAAHN FC(F)(F)c1cnc([C@@H]2CCCN(Cc3cnc4cnccn34)C2)[nH]1 ZINC000278736314 256343111 /nfs/dbraw/zinc/34/31/11/256343111.db2.gz QYFUNBFVAALUIA-LLVKDONJSA-N 0 3 350.348 2.851 50 0 FFAAHN O=C1N(CCCc2ccccc2)CCC[C@]1(O)CNCc1ccc(F)cc1 ZINC000067725658 221278268 /nfs/dbraw/zinc/27/82/68/221278268.db2.gz QUQMFACHZLAZFZ-QFIPXVFZSA-N 0 3 370.468 2.902 50 0 FFAAHN c1cncc(-c2nc3c(c(NCc4ccc5c(c4)OCO5)n2)CCNC3)c1 ZINC000067673377 221268651 /nfs/dbraw/zinc/26/86/51/221268651.db2.gz FXNSPEKJZVNCQV-UHFFFAOYSA-N 0 3 361.405 2.525 50 0 FFAAHN CCOc1ccc(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)cc1Cl ZINC000067756731 221281920 /nfs/dbraw/zinc/28/19/20/221281920.db2.gz XJWNQZAVMGHDBL-UHFFFAOYSA-N 0 3 365.905 2.591 50 0 FFAAHN O=C1N(CCc2ccccc2)CCC[C@]1(O)CNCc1ccc(F)c(F)c1 ZINC000067886293 221301689 /nfs/dbraw/zinc/30/16/89/221301689.db2.gz RNPPXTFFRMPMPU-NRFANRHFSA-N 0 3 374.431 2.651 50 0 FFAAHN NC1(C(=O)N2CCc3[nH]nc(C(c4ccccc4)c4ccccc4)c3C2)CC1 ZINC000067894696 221302928 /nfs/dbraw/zinc/30/29/28/221302928.db2.gz PBJFUZVVXRMQOI-UHFFFAOYSA-N 0 3 372.472 2.966 50 0 FFAAHN Cc1oc(-c2ccccc2C)nc1CN1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000071749202 221360953 /nfs/dbraw/zinc/36/09/53/221360953.db2.gz IFXUSBKQLKLIIR-PMACEKPBSA-N 0 3 355.482 2.989 50 0 FFAAHN Cc1cccc2c1ncc(C)c2N1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000291056846 257377938 /nfs/dbraw/zinc/37/79/38/257377938.db2.gz FHDJNERNISCMFJ-UHFFFAOYSA-N 0 3 364.453 2.571 50 0 FFAAHN Cc1noc2nc(C)nc(N3CCN([C@@H]4CCc5ccccc5C4)CC3)c12 ZINC000077542426 132189483 /nfs/dbraw/zinc/18/94/83/132189483.db2.gz RNRYLNOYJWSIES-GOSISDBHSA-N 0 3 363.465 2.914 50 0 FFAAHN CCN1CC[C@@]2(CN(c3nccc(C4CCCC4)n3)CCN2C)CCC1=O ZINC000091486076 132201984 /nfs/dbraw/zinc/20/19/84/132201984.db2.gz YGJCMGZYXKLPJS-OAQYLSRUSA-N 0 3 371.529 2.657 50 0 FFAAHN Cc1cc(CN(C)C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)no1 ZINC000065575531 136136659 /nfs/dbraw/zinc/13/66/59/136136659.db2.gz RDKOSGXUBVMEQM-UHFFFAOYSA-N 0 3 356.470 2.786 50 0 FFAAHN O=C(CCc1cn2ccccc2n1)NCCN1CC[C@H](c2ccccc2)C1 ZINC000097098996 222160089 /nfs/dbraw/zinc/16/00/89/222160089.db2.gz PTKREEKTPAQKRV-IBGZPJMESA-N 0 3 362.477 2.873 50 0 FFAAHN CN1Cc2ccccc2C[C@H]1C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000097323935 222174827 /nfs/dbraw/zinc/17/48/27/222174827.db2.gz FSOPISBXSCQCJR-FQEVSTJZSA-N 0 3 369.534 2.885 50 0 FFAAHN CN1C[C@@]2(CCCN(Cc3cnc(N4CCCC4)s3)CC2)OC1=O ZINC000097772687 222211612 /nfs/dbraw/zinc/21/16/12/222211612.db2.gz DXUPMABWVTZMSW-KRWDZBQOSA-N 0 3 350.488 2.550 50 0 FFAAHN O=C([C@H]1CCOc2ccccc2C1)N1CCC(N2CCSCC2)CC1 ZINC000097785291 222213719 /nfs/dbraw/zinc/21/37/19/222213719.db2.gz BRQADJNVQSKKJN-KRWDZBQOSA-N 0 3 360.523 2.668 50 0 FFAAHN C[C@H](OC[C@H]1CCCO1)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000106758222 222387909 /nfs/dbraw/zinc/38/79/09/222387909.db2.gz UPTWBXKKHIEQIT-YESZJQIVSA-N 0 3 366.527 2.660 50 0 FFAAHN CN1CCC(CC(=O)N(Cc2ccncc2)C[C@@H](O)c2ccccc2)CC1 ZINC000426504012 263612382 /nfs/dbraw/zinc/61/23/82/263612382.db2.gz OEIFSAYZISOEAR-OAQYLSRUSA-N 0 3 367.493 2.876 50 0 FFAAHN CC(=O)c1ccccc1-c1ccc(C(=O)NC[C@@H](O)CN2CCCC2)cc1 ZINC000426667319 263653178 /nfs/dbraw/zinc/65/31/78/263653178.db2.gz FRTPJBSXGBFTDO-LJQANCHMSA-N 0 3 366.461 2.743 50 0 FFAAHN CC[C@@H](CNC(=O)[C@H]1Cc2ccccc2O1)N1CCc2ccccc2C1 ZINC000032446763 506254640 /nfs/dbraw/zinc/25/46/40/506254640.db2.gz IUVFOQLANPUYHW-PZJWPPBQSA-N 0 3 350.462 2.943 50 0 FFAAHN CN1CCC(O)(CCn2cnc3c(Cl)ccc(Cl)c3c2=O)CC1 ZINC000032547896 506264322 /nfs/dbraw/zinc/26/43/22/506264322.db2.gz XMWICPLWAYMNOI-UHFFFAOYSA-N 0 3 356.253 2.550 50 0 FFAAHN CC[C@@H](CNC(=O)c1cccc(I)c1)N1CCCC1 ZINC000032653697 506274705 /nfs/dbraw/zinc/27/47/05/506274705.db2.gz WTTICJJJDBRWBM-AWEZNQCLSA-N 0 3 372.250 2.895 50 0 FFAAHN O[C@@H](COCc1ccco1)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000032769042 506291886 /nfs/dbraw/zinc/29/18/86/506291886.db2.gz WCPDWXVUHGURBJ-SJLPKXTDSA-N 0 3 359.422 2.765 50 0 FFAAHN COCCCN(Cc1ccc(OC)c(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000036095936 506396975 /nfs/dbraw/zinc/39/69/75/506396975.db2.gz RWZQVHFRXYRORX-QGZVFWFLSA-N 0 3 369.502 2.718 50 0 FFAAHN CC(C)c1nc(CC(=O)N2CCCN(C[C@H]3CCCO3)CC2)cs1 ZINC000040107276 506467725 /nfs/dbraw/zinc/46/77/25/506467725.db2.gz KFKDJNCLZMRSLC-MRXNPFEDSA-N 0 3 351.516 2.522 50 0 FFAAHN CCOC(=O)c1sc2nc(SCCN3CCCC3)nc(N)c2c1C ZINC000006719038 506500670 /nfs/dbraw/zinc/50/06/70/506500670.db2.gz RYDXVCOBHRLGAW-UHFFFAOYSA-N 0 3 366.512 2.947 50 0 FFAAHN COc1c(Cl)cc(Cl)cc1CNCCCSc1nnnn1C ZINC000007541543 506570033 /nfs/dbraw/zinc/57/00/33/506570033.db2.gz KLTBHNVICHBAKI-UHFFFAOYSA-N 0 3 362.286 2.798 50 0 FFAAHN CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 ZINC000008971757 506675570 /nfs/dbraw/zinc/67/55/70/506675570.db2.gz RNJXVOAAJNDBGH-UHFFFAOYSA-N 0 3 352.482 2.984 50 0 FFAAHN CCN1CCN(c2ccc(NC(=O)COc3ccc(F)cc3)cc2)CC1 ZINC000009368632 506695970 /nfs/dbraw/zinc/69/59/70/506695970.db2.gz UYZNIFBVSFBMQS-UHFFFAOYSA-N 0 3 357.429 2.985 50 0 FFAAHN CCc1nccn1CCC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000011662191 506785340 /nfs/dbraw/zinc/78/53/40/506785340.db2.gz QTXDZLDBNYYXNW-IBGZPJMESA-N 0 3 354.498 2.659 50 0 FFAAHN CN(C[C@H]1CCCCN1C)C(=O)c1coc(COc2ccccc2F)n1 ZINC000011753701 506793303 /nfs/dbraw/zinc/79/33/03/506793303.db2.gz HBXVMEAAKFRHOG-CQSZACIVSA-N 0 3 361.417 2.949 50 0 FFAAHN CCOC(=O)[C@@]1(CCOC)CCCN(Cc2ccc(NC(C)=O)cc2)C1 ZINC000012199248 506833233 /nfs/dbraw/zinc/83/32/33/506833233.db2.gz DZBLTIVFYWMKNM-HXUWFJFHSA-N 0 3 362.470 2.827 50 0 FFAAHN COc1ccc(-c2n[nH]cc2CN(C[C@H]2CCC(=O)N2)C(C)C)c(F)c1 ZINC000012434188 506864230 /nfs/dbraw/zinc/86/42/30/506864230.db2.gz IMAVLOIUNFXFSE-CQSZACIVSA-N 0 3 360.433 2.713 50 0 FFAAHN COc1cc(CN2CCN(CC(C)(C)C)C[C@@H]2CCO)cc(OC)c1 ZINC000023373329 507349732 /nfs/dbraw/zinc/34/97/32/507349732.db2.gz SIEPOPAEBSPSHB-KRWDZBQOSA-N 0 3 350.503 2.619 50 0 FFAAHN CN(C)S(=O)(=O)CCCN1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000072148598 507758520 /nfs/dbraw/zinc/75/85/20/507758520.db2.gz VWHZZHLOCPVLTP-QGZVFWFLSA-N 0 3 356.507 2.752 50 0 FFAAHN CN(C)c1ncc(CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cn1 ZINC000072150772 507759964 /nfs/dbraw/zinc/75/99/64/507759964.db2.gz JABIUGXKNYYPFJ-HNNXBMFYSA-N 0 3 350.470 2.874 50 0 FFAAHN CN(Cc1ccccc1)C1(C(=O)NCC(C)(C)CO)Cc2ccccc2C1 ZINC000072164486 507766534 /nfs/dbraw/zinc/76/65/34/507766534.db2.gz SHWGEKHEXQAIQA-UHFFFAOYSA-N 0 3 366.505 2.791 50 0 FFAAHN N[C@@H]1c2ccccc2C2(CCN(C(=O)C3(c4ccccc4)CC3)CC2)[C@H]1O ZINC000072167989 507767565 /nfs/dbraw/zinc/76/75/65/507767565.db2.gz UTQBVTMPZRXORT-UXHICEINSA-N 0 3 362.473 2.653 50 0 FFAAHN Cn1cc(CN2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072169705 507769195 /nfs/dbraw/zinc/76/91/95/507769195.db2.gz PLSHJXPFMHNUHN-VAMGGRTRSA-N 0 3 358.436 2.761 50 0 FFAAHN O=C(Nc1cccc(C(=O)N2CC[C@@H](N3CCCC3)C2)c1)c1ccco1 ZINC000072288403 507772435 /nfs/dbraw/zinc/77/24/35/507772435.db2.gz PWXSSKVNIOBQSX-QGZVFWFLSA-N 0 3 353.422 2.842 50 0 FFAAHN CO[C@H]1CN(C(C)C)C[C@@H]1Nc1nc(C2CCCC2)nc2c1cnn2C ZINC000072429899 507789955 /nfs/dbraw/zinc/78/99/55/507789955.db2.gz ZAXPIMBHZSVIGP-HOTGVXAUSA-N 0 3 358.490 2.540 50 0 FFAAHN CCOc1ccccc1CC(=O)N1CCC(N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000072429631 507790058 /nfs/dbraw/zinc/79/00/58/507790058.db2.gz UEQDBPUHSSACEH-CALCHBBNSA-N 0 3 360.498 2.728 50 0 FFAAHN Cc1noc(C)c1CNc1nc(-c2ccco2)nc2c1CCN(C)CC2 ZINC000072447725 507792937 /nfs/dbraw/zinc/79/29/37/507792937.db2.gz LRETVXLQGVQCER-UHFFFAOYSA-N 0 3 353.426 2.984 50 0 FFAAHN Cc1nc2c(c(NC[C@H]3CCOC3)n1)CCN(Cc1cccs1)CC2 ZINC000072467919 507794683 /nfs/dbraw/zinc/79/46/83/507794683.db2.gz RKDLDGJRWPYMKR-OAHLLOKOSA-N 0 3 358.511 2.896 50 0 FFAAHN Cc1cccc(OCCN2CC[C@@H]3[C@@H](CCC(=O)N3CCCCO)C2)c1C ZINC000072477872 507796818 /nfs/dbraw/zinc/79/68/18/507796818.db2.gz PMMFJMMCNFRESP-VQTJNVASSA-N 0 3 374.525 2.768 50 0 FFAAHN Cc1cc(C)c(CN2CCC[C@]3(CN(C)C(=O)O3)C2)c(-n2cccn2)c1 ZINC000072478297 507797082 /nfs/dbraw/zinc/79/70/82/507797082.db2.gz MTSTVKCWNVOCSQ-FQEVSTJZSA-N 0 3 354.454 2.906 50 0 FFAAHN O=C1[C@H]2CC[C@H](CN(C3Cc4ccccc4C3)C2)N1Cc1cscn1 ZINC000091320732 507980759 /nfs/dbraw/zinc/98/07/59/507980759.db2.gz QJZDEEFDSGSQTE-FUHWJXTLSA-N 0 3 353.491 2.733 50 0 FFAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1ncoc1CC)CC2 ZINC000091621350 507997252 /nfs/dbraw/zinc/99/72/52/507997252.db2.gz HRFLQTAVMBAODN-UHFFFAOYSA-N 0 3 371.485 2.750 50 0 FFAAHN Cc1cc(C)n(Cc2ccc(C(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4)cc2)n1 ZINC000091690979 508003279 /nfs/dbraw/zinc/00/32/79/508003279.db2.gz DOBZPXWKECKKEQ-UYAOXDASSA-N 0 3 352.482 2.714 50 0 FFAAHN Cc1ccc([C@H]2CN(C(=O)c3cc(-c4ccc(C)s4)n[nH]3)C[C@@H]2N)o1 ZINC000091713898 508005136 /nfs/dbraw/zinc/00/51/36/508005136.db2.gz RQAYLOQTHUYZKT-STQMWFEESA-N 0 3 356.451 2.915 50 0 FFAAHN C[C@@H](C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1)N1CCCC1 ZINC000091829928 508017366 /nfs/dbraw/zinc/01/73/66/508017366.db2.gz YMSJSBLMVZUIFA-KRWDZBQOSA-N 0 3 367.497 2.517 50 0 FFAAHN O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccc3[nH]ccc3c1)C2 ZINC000091906496 508023619 /nfs/dbraw/zinc/02/36/19/508023619.db2.gz FSFSXLHNZZWUON-SJLPKXTDSA-N 0 3 361.449 2.695 50 0 FFAAHN Cc1nc[nH]c1CN1C[C@H]2CC[C@H](CN2Cc2ccc3c(c2)OCO3)C1 ZINC000091943086 508026300 /nfs/dbraw/zinc/02/63/00/508026300.db2.gz AQDKCJVXUFCJFL-DLBZAZTESA-N 0 3 354.454 2.543 50 0 FFAAHN CSc1cccc(CN2CC[C@@](O)(CN3CCOCC3)C(C)(C)C2)c1 ZINC000091974203 508028979 /nfs/dbraw/zinc/02/89/79/508028979.db2.gz KULGIWLCRAOMBS-HXUWFJFHSA-N 0 3 364.555 2.704 50 0 FFAAHN COc1ccc2oc(CNC(=O)C3CCN(Cc4ccco4)CC3)nc2c1 ZINC000095360108 508176061 /nfs/dbraw/zinc/17/60/61/508176061.db2.gz QALXFDLCQGQHOG-UHFFFAOYSA-N 0 3 369.421 2.958 50 0 FFAAHN O=C(NCCc1nc2ccccc2[nH]1)C1CCN(Cc2ccco2)CC1 ZINC000095367260 508177591 /nfs/dbraw/zinc/17/75/91/508177591.db2.gz USCGEXVUPHKEDN-UHFFFAOYSA-N 0 3 352.438 2.727 50 0 FFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000095371193 508178349 /nfs/dbraw/zinc/17/83/49/508178349.db2.gz NNJIKWHFRGCUGQ-SFHVURJKSA-N 0 3 365.481 2.946 50 0 FFAAHN O=C(NCc1cccc(-n2cccn2)c1)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095371287 508178565 /nfs/dbraw/zinc/17/85/65/508178565.db2.gz XMNGIUAPDRCMQG-SFHVURJKSA-N 0 3 364.449 2.994 50 0 FFAAHN CCN(CC)c1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CCOC)C3)cc1 ZINC000095372505 508179104 /nfs/dbraw/zinc/17/91/04/508179104.db2.gz CEODNMVVAAKLMA-YLJYHZDGSA-N 0 3 359.514 2.716 50 0 FFAAHN C[C@H](C1CCN(C(=O)c2ccn(C(C)(C)C)c2)CC1)N1CCN(C)CC1 ZINC000095392287 508184557 /nfs/dbraw/zinc/18/45/57/508184557.db2.gz VMKNYCBDVZAUPL-QGZVFWFLSA-N 0 3 360.546 2.731 50 0 FFAAHN O=C1CC[C@@]2(CCCN(Cc3cccc(Cl)c3)C2)CN1CCCO ZINC000082120266 508225944 /nfs/dbraw/zinc/22/59/44/508225944.db2.gz RNPFBKGMYQPACA-LJQANCHMSA-N 0 3 350.890 2.927 50 0 FFAAHN C[C@H](C1CCN(C(=O)c2cc(Cl)ccc2F)CC1)N1CCN(C)CC1 ZINC000082109155 508226332 /nfs/dbraw/zinc/22/63/32/508226332.db2.gz IHLITMBAHCNJCF-CQSZACIVSA-N 0 3 367.896 2.967 50 0 FFAAHN CN(C[C@H]1COc2ccccc2O1)c1ncnc2sc3c(c21)CCNC3 ZINC000082137043 508226694 /nfs/dbraw/zinc/22/66/94/508226694.db2.gz NQTJLSPRYWERCU-LBPRGKRZSA-N 0 3 368.462 2.613 50 0 FFAAHN CCn1ccc2ccc(CN3CCC[C@]4(CCC(=O)N(CCO)C4)C3)cc21 ZINC000077354282 508304503 /nfs/dbraw/zinc/30/45/03/508304503.db2.gz QOILHXQDUBADNZ-QFIPXVFZSA-N 0 3 369.509 2.858 50 0 FFAAHN CCc1ccc2nc(C)cc(C(=O)NCCN3CCCC[C@@H]3CO)c2c1 ZINC000077391861 508310218 /nfs/dbraw/zinc/31/02/18/508310218.db2.gz VIRLLAVPLWATCN-QGZVFWFLSA-N 0 3 355.482 2.682 50 0 FFAAHN Cc1cc2ncn(C[C@H](O)CN3CC[C@H](Oc4cccnc4)C3)c2cc1C ZINC000152268158 508413187 /nfs/dbraw/zinc/41/31/87/508413187.db2.gz QKNIUMNCZJVGQY-MJGOQNOKSA-N 0 3 366.465 2.562 50 0 FFAAHN O=C(Cn1nc2ccccc2n1)NC[C@@H](c1ccccc1)N1CCCCC1 ZINC000215887270 509254053 /nfs/dbraw/zinc/25/40/53/509254053.db2.gz DIKPWTLESZNPPK-FQEVSTJZSA-N 0 3 363.465 2.775 50 0 FFAAHN NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(CN2CCCC2)cs1 ZINC000216018060 509255242 /nfs/dbraw/zinc/25/52/42/509255242.db2.gz YUUFOUWTDSLRDO-IBGZPJMESA-N 0 3 355.507 2.756 50 0 FFAAHN NC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(CN2CCCC2)cs1 ZINC000216018011 509256252 /nfs/dbraw/zinc/25/62/52/509256252.db2.gz YUUFOUWTDSLRDO-LJQANCHMSA-N 0 3 355.507 2.756 50 0 FFAAHN C[C@H](CNC(=O)NC[C@H]1CCN(c2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000229767064 509428904 /nfs/dbraw/zinc/42/89/04/509428904.db2.gz BXYZIONQJQONMS-GUDVDZBRSA-N 0 3 358.530 2.933 50 0 FFAAHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCc1ccccc1C(F)(F)F ZINC000170086054 509667513 /nfs/dbraw/zinc/66/75/13/509667513.db2.gz XUVFIMKRMVXMNQ-KBPBESRZSA-N 0 3 350.406 2.655 50 0 FFAAHN C[C@@H]1C[C@@H]1c1ccc(CN(C)C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)o1 ZINC000252549875 509852366 /nfs/dbraw/zinc/85/23/66/509852366.db2.gz RWCYVBIUJOGGJB-VYPVPOJWSA-N 0 3 356.470 2.788 50 0 FFAAHN O=C(CCN1CCN([C@H]2CCc3ccccc3C2)CC1)Nc1cccnc1 ZINC000244685644 509863975 /nfs/dbraw/zinc/86/39/75/509863975.db2.gz ITVRTANEABCDSD-NRFANRHFSA-N 0 3 364.493 2.585 50 0 FFAAHN CCNC(=O)C[C@@H]1CCCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000253422862 509880849 /nfs/dbraw/zinc/88/08/49/509880849.db2.gz DJFOWDRYHCZTSD-IBGZPJMESA-N 0 3 357.498 2.803 50 0 FFAAHN Cc1ccc(CN2CCC(CNC(=O)Nc3cccn4cnnc34)CC2)o1 ZINC000299793391 533917683 /nfs/dbraw/zinc/91/76/83/533917683.db2.gz HPHVSOHAFDJJOV-UHFFFAOYSA-N 0 3 368.441 2.664 50 0 FFAAHN CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(-c2cc(N)ccn2)cc1 ZINC000426386240 513923311 /nfs/dbraw/zinc/92/33/11/513923311.db2.gz BDJHXILBGPLZFV-IBGZPJMESA-N 0 3 366.465 2.804 50 0 FFAAHN COCCN1CC[C@@H](CNC(=O)c2ccc(-c3ccncc3F)cc2)C1 ZINC000426442869 513943040 /nfs/dbraw/zinc/94/30/40/513943040.db2.gz HYNUSKRYWFGMRS-HNNXBMFYSA-N 0 3 357.429 2.586 50 0 FFAAHN Nc1cnc(-c2cccc(C(=O)N3CCCN(C4CCCC4)CC3)c2)cn1 ZINC000426548849 513977795 /nfs/dbraw/zinc/97/77/95/513977795.db2.gz RQAMPHFLWJLLSR-UHFFFAOYSA-N 0 3 365.481 2.816 50 0 FFAAHN CCc1nc2cc(NC(=O)N[C@H]3COC[C@@H]3N3CCCC3)ccc2n1CC ZINC000426624714 513998379 /nfs/dbraw/zinc/99/83/79/513998379.db2.gz CYEWIPWOLVHGIR-WMZOPIPTSA-N 0 3 371.485 2.603 50 0 FFAAHN C[C@@H]1CCCCN1Cc1cccc(NC(=O)NCc2nnc(N)s2)c1 ZINC000299756632 534162436 /nfs/dbraw/zinc/16/24/36/534162436.db2.gz GFRNKMMOKZCWDG-GFCCVEGCSA-N 0 3 360.487 2.816 50 0 FFAAHN COCC1(CNC(=O)N(Cc2ccncc2)C2CCN(C)CC2)CCCC1 ZINC000534584157 517953113 /nfs/dbraw/zinc/95/31/13/517953113.db2.gz JFZXAQQCJKLDKX-UHFFFAOYSA-N 0 3 374.529 2.894 50 0 FFAAHN CC[C@H](CNC(=O)N1CCC(c2ccnc(C)n2)CC1)N1CCCCC1 ZINC000534647979 517981380 /nfs/dbraw/zinc/98/13/80/517981380.db2.gz CPHVVMQRUTZOJZ-GOSISDBHSA-N 0 3 359.518 2.939 50 0 FFAAHN CN(Cc1[nH]nc2c1CCCC2)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000534662689 517990631 /nfs/dbraw/zinc/99/06/31/517990631.db2.gz DKLPCASMNKQPNN-KRWDZBQOSA-N 0 3 367.497 2.704 50 0 FFAAHN CN(Cc1n[nH]c2c1CCCC2)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000534662689 517990639 /nfs/dbraw/zinc/99/06/39/517990639.db2.gz DKLPCASMNKQPNN-KRWDZBQOSA-N 0 3 367.497 2.704 50 0 FFAAHN CO[C@H]1CN(C2CCN(Cc3scnc3C)CC2)[C@H]1c1ccncc1 ZINC000575553645 518230723 /nfs/dbraw/zinc/23/07/23/518230723.db2.gz BXEDXLOWZPQPMB-HKUYNNGSSA-N 0 3 358.511 2.883 50 0 FFAAHN COc1c(N)ccnc1-c1ccc(C(=O)N[C@H](C)CCn2cccn2)cc1 ZINC000584887956 518523453 /nfs/dbraw/zinc/52/34/53/518523453.db2.gz ITDFPFFESMWENV-CQSZACIVSA-N 0 3 365.437 2.745 50 0 FFAAHN Cc1nc2ccc(NC(=O)N(CCN(C)C)C[C@@H]3CCCO3)cc2nc1C ZINC000299764149 534660515 /nfs/dbraw/zinc/66/05/15/534660515.db2.gz WVRLRBDEICNOKY-KRWDZBQOSA-N 0 3 371.485 2.821 50 0 FFAAHN Cc1ccc(CN2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)c(F)c1 ZINC000091656828 524450580 /nfs/dbraw/zinc/45/05/80/524450580.db2.gz CZIUBLOXHGUKCM-QGZVFWFLSA-N 0 3 368.460 2.887 50 0 FFAAHN COc1ccc(OC)c(CN2CCN(CCCCn3ccnc3C)CC2)c1 ZINC000089735583 524828383 /nfs/dbraw/zinc/82/83/83/524828383.db2.gz COANRLGEEWIIJM-UHFFFAOYSA-N 0 3 372.513 2.807 50 0 FFAAHN OCCOc1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cc1 ZINC000091426919 527559054 /nfs/dbraw/zinc/55/90/54/527559054.db2.gz DUAKTKIDAYMRNQ-LEWJYISDSA-N 0 3 367.493 2.549 50 0 FFAAHN OCCOc1cccc(CN2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)c1 ZINC000091503732 527559164 /nfs/dbraw/zinc/55/91/64/527559164.db2.gz NOILUOQFLBBQCV-LEWJYISDSA-N 0 3 367.493 2.549 50 0 FFAAHN CN(C)CCN1C[C@@]2(CCCN(c3ccc(Cl)cn3)C2)CCC1=O ZINC000072426003 535880473 /nfs/dbraw/zinc/88/04/73/535880473.db2.gz CLEZDSGYKOXRNR-SFHVURJKSA-N 0 3 350.894 2.506 50 0 FFAAHN CN1CCC(N2CCN(Cc3ccccc3OC(F)(F)F)CC2)CC1 ZINC000215609314 568079643 /nfs/dbraw/zinc/07/96/43/568079643.db2.gz OIJTWEXZFURDMD-UHFFFAOYSA-N 0 3 357.420 2.797 50 0 FFAAHN COCCCN1CCCN([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000081086910 570765757 /nfs/dbraw/zinc/76/57/57/570765757.db2.gz HOZORXRSASYJTR-AWEZNQCLSA-N 0 3 350.488 2.903 50 0 FFAAHN O=C(CCOc1ccc(Cl)cc1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000046744966 570865228 /nfs/dbraw/zinc/86/52/28/570865228.db2.gz QJVRBCHYPDEFFH-GOSISDBHSA-N 0 3 366.889 2.822 50 0 FFAAHN CN(C)CCN(Cc1cccnc1)C(=O)Nc1cccnc1N1CCCC1 ZINC000047540937 570891613 /nfs/dbraw/zinc/89/16/13/570891613.db2.gz FXFANBYLNLMJSS-UHFFFAOYSA-N 0 3 368.485 2.673 50 0 FFAAHN Cc1cccc(C(=O)NC[C@H](C)N2CCCC2)c1I ZINC000048128709 570935104 /nfs/dbraw/zinc/93/51/04/570935104.db2.gz KVAFOLINBXJPBZ-LBPRGKRZSA-N 0 3 372.250 2.814 50 0 FFAAHN CCOC(=O)c1nc2onc(C)c2c(N2CCN(C3CCCCC3)CC2)n1 ZINC000021646130 571144653 /nfs/dbraw/zinc/14/46/53/571144653.db2.gz ZRDNGBRBAPFBAC-UHFFFAOYSA-N 0 3 373.457 2.558 50 0 FFAAHN CCCN1CC[C@@H](NC(=O)N2CCN(c3nsc4ccccc43)CC2)C1 ZINC000670437071 571347058 /nfs/dbraw/zinc/34/70/58/571347058.db2.gz JLCDFIJDQJPMFK-OAHLLOKOSA-N 0 3 373.526 2.612 50 0 FFAAHN O=C(CSc1ncccn1)NCCN1CCC[C@@H](c2ccccc2)C1 ZINC000670444888 571350438 /nfs/dbraw/zinc/35/04/38/571350438.db2.gz YLDUWDPBLMHPHO-QGZVFWFLSA-N 0 3 356.495 2.565 50 0 FFAAHN OCCn1nccc1C1CCN(CCOc2ccc(Cl)c(F)c2)CC1 ZINC000191978906 729420830 /nfs/dbraw/zinc/42/08/30/729420830.db2.gz VRQYOKJCCCAPST-UHFFFAOYSA-N 0 3 367.852 2.926 50 0 FFAAHN c1ccc(-c2ccc(C[C@@H]3CC[C@H](CN4CCCOCC4)O3)nn2)cc1 ZINC000952854526 1010986025 /nfs/dbraw/zinc/98/60/25/1010986025.db2.gz CNGWDNISFWZZPQ-VQTJNVASSA-N 0 3 353.466 2.956 50 0 FFAAHN O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)CNCc1ccccc1 ZINC000012587262 220010667 /nfs/dbraw/zinc/01/06/67/220010667.db2.gz KQDLLIQKBLIXQL-FQEVSTJZSA-N 0 3 360.404 2.608 50 0 FFAAHN O=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000012717657 220020861 /nfs/dbraw/zinc/02/08/61/220020861.db2.gz BSRDYKUDHMDTAL-KRWDZBQOSA-N 0 3 354.454 2.695 50 0 FFAAHN CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1ccc(C)o1)C2 ZINC000014733616 220130906 /nfs/dbraw/zinc/13/09/06/220130906.db2.gz SZXIFSUHZJWGNR-OAHLLOKOSA-N 0 3 356.470 2.688 50 0 FFAAHN Cn1nc(C(=O)NCCc2ccccc2)c2c1CC[C@H](N1CCCCC1)C2 ZINC000014534573 220125624 /nfs/dbraw/zinc/12/56/24/220125624.db2.gz ONRWUTRULRJNKH-SFHVURJKSA-N 0 3 366.509 2.736 50 0 FFAAHN CC(=O)NC[C@@H]1CCC2(CCN(Cc3ccc4ncccc4c3)CC2)O1 ZINC000014887819 220135491 /nfs/dbraw/zinc/13/54/91/220135491.db2.gz HKJNULNDAVHHFX-IBGZPJMESA-N 0 3 353.466 2.885 50 0 FFAAHN C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1C[C@H](C)C[C@H](C)C1 ZINC000015258071 220150574 /nfs/dbraw/zinc/15/05/74/220150574.db2.gz JUOQKGNWVQVFCM-TUAOUCFPSA-N 0 3 371.403 2.525 50 0 FFAAHN C[C@@H]1CCCCN1CCNC(=O)c1nn(C)c2c1COc1ccccc1-2 ZINC000015674352 220159168 /nfs/dbraw/zinc/15/91/68/220159168.db2.gz UUZXICBBNGHDRG-CQSZACIVSA-N 0 3 354.454 2.584 50 0 FFAAHN c1nn2cccnc2c1CN1CCc2[nH]nc(COCc3ccccc3)c2C1 ZINC000019110771 220235891 /nfs/dbraw/zinc/23/58/91/220235891.db2.gz BIGGHMMBOBOCPK-UHFFFAOYSA-N 0 3 374.448 2.728 50 0 FFAAHN Cc1nsc(NC(=O)N2CCCN(C3Cc4ccccc4C3)CC2)n1 ZINC000020778547 220341396 /nfs/dbraw/zinc/34/13/96/220341396.db2.gz MOZOEPOJGZCKIJ-UHFFFAOYSA-N 0 3 357.483 2.554 50 0 FFAAHN CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccc(Cl)cc1 ZINC000021868462 220369067 /nfs/dbraw/zinc/36/90/67/220369067.db2.gz ZHULPVKROFEYCB-UHFFFAOYSA-N 0 3 362.857 2.684 50 0 biogenic FFAAHN CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1Cc1ccccc1 ZINC000048324653 221008323 /nfs/dbraw/zinc/00/83/23/221008323.db2.gz BUKGYQIVDFZTHW-RTBURBONSA-N 0 3 358.482 2.638 50 0 FFAAHN CN1CCN(CCCNC(=O)CCc2ccncc2)[C@H](c2ccccc2)C1 ZINC000052637262 221038721 /nfs/dbraw/zinc/03/87/21/221038721.db2.gz SNBQAVIVQMWBIP-NRFANRHFSA-N 0 3 366.509 2.509 50 0 FFAAHN COc1ccccc1NC(=O)C1CCN(CCC(=O)NC2CCCC2)CC1 ZINC000058197258 221105444 /nfs/dbraw/zinc/10/54/44/221105444.db2.gz JBMWZVKIMHRCME-UHFFFAOYSA-N 0 3 373.497 2.795 50 0 FFAAHN Cc1ccc([C@@H](CNC(=O)c2ccc(Cn3cncn3)cc2)N(C)C)cc1 ZINC000058201631 221106106 /nfs/dbraw/zinc/10/61/06/221106106.db2.gz DZZSQXAGEWLDMC-HXUWFJFHSA-N 0 3 363.465 2.668 50 0 FFAAHN COc1ccc(CNC(=O)NCC2CCN(Cc3cccs3)CC2)cn1 ZINC000058214923 221108507 /nfs/dbraw/zinc/10/85/07/221108507.db2.gz UFUQHXCAXBUYLJ-UHFFFAOYSA-N 0 3 374.510 2.863 50 0 FFAAHN C[C@H](CNC(=O)NC[C@@H]1CCN(c2ccccc2)C1)N1CCC(C)CC1 ZINC000058406590 221117355 /nfs/dbraw/zinc/11/73/55/221117355.db2.gz XBGGRBWCXTYQNX-MOPGFXCFSA-N 0 3 358.530 2.933 50 0 FFAAHN O=C(NCCN1CCCCC1)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000058406704 221117454 /nfs/dbraw/zinc/11/74/54/221117454.db2.gz VSOWTCSRYLUWDR-INIZCTEOSA-N 0 3 364.921 2.951 50 0 FFAAHN CCN1CCC(NC(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000058420037 221118524 /nfs/dbraw/zinc/11/85/24/221118524.db2.gz FGZQTUWWMYRATE-UHFFFAOYSA-N 0 3 370.291 2.611 50 0 FFAAHN CCOc1ccccc1CCn1cnc2sc3c(c2c1=O)CCNC3 ZINC000065404163 221212934 /nfs/dbraw/zinc/21/29/34/221212934.db2.gz SUDKZHVYHMSGKV-UHFFFAOYSA-N 0 3 355.463 2.745 50 0 FFAAHN COc1cc(NC(=O)c2ccc(CN3CC[C@H](O)C3)cc2)cc(OC)c1 ZINC000065534832 221232695 /nfs/dbraw/zinc/23/26/95/221232695.db2.gz SDJPJKXGWBTHBH-KRWDZBQOSA-N 0 3 356.422 2.523 50 0 FFAAHN Cc1ccc(CN2CCC(c3nn(C)c(=O)n3Cc3ccccc3)CC2)o1 ZINC000067432431 221253305 /nfs/dbraw/zinc/25/33/05/221253305.db2.gz MPDFSFWUWUXFSI-UHFFFAOYSA-N 0 3 366.465 2.911 50 0 FFAAHN C[C@@H]1CN(C[C@@H]2CCCN2Cc2cc(F)cc3c2OCOC3)C[C@H](C)O1 ZINC000066377897 221245393 /nfs/dbraw/zinc/24/53/93/221245393.db2.gz CQWAJYFDXVJSGK-KHYOSLBOSA-N 0 3 364.461 2.766 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)NCc3nc(C)c(C)s3)cnn2c1 ZINC000067819861 221289783 /nfs/dbraw/zinc/28/97/83/221289783.db2.gz GVFUNNWSNCNJAH-UHFFFAOYSA-N 0 3 372.498 2.574 50 0 FFAAHN CC(C)c1ccc(CN2CCC[C@](O)(CNCc3cccnc3)C2=O)cc1 ZINC000067822098 221291485 /nfs/dbraw/zinc/29/14/85/221291485.db2.gz VSAKMMOUOVZJCG-QFIPXVFZSA-N 0 3 367.493 2.848 50 0 FFAAHN CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cn2ccc3ccccc32)n[nH]1 ZINC000067920814 221305667 /nfs/dbraw/zinc/30/56/67/221305667.db2.gz CPWYBPGGCKNFNZ-MSOLQXFVSA-N 0 3 363.465 2.721 50 0 FFAAHN COCCc1ncc(CN[C@@H]2CCCN(Cc3ccccc3F)C2)cn1 ZINC000067920917 221305809 /nfs/dbraw/zinc/30/58/09/221305809.db2.gz CCUPWIHIVPXHCY-GOSISDBHSA-N 0 3 358.461 2.559 50 0 FFAAHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2oc(-c3ccccc3)nc2C)C1 ZINC000286566645 257043403 /nfs/dbraw/zinc/04/34/03/257043403.db2.gz YCVBKGALRULQSC-ROUUACIJSA-N 0 3 369.465 2.975 50 0 FFAAHN CCN1C(=O)NC(=O)C12CCN(Cc1cccc(-c3ccccn3)c1)CC2 ZINC000072169277 221445760 /nfs/dbraw/zinc/44/57/60/221445760.db2.gz HUTMUHLHEJUXJC-UHFFFAOYSA-N 0 3 364.449 2.655 50 0 FFAAHN Cc1nc(C(C)C)cc(N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)n1 ZINC000091616449 132202506 /nfs/dbraw/zinc/20/25/06/132202506.db2.gz JVIJHHAKVYKXSM-UHFFFAOYSA-N 0 3 373.545 2.679 50 0 FFAAHN O=C(NCC1CCN(c2ccncc2)CC1)C(=O)Nc1ccccc1Cl ZINC000070895902 136138490 /nfs/dbraw/zinc/13/84/90/136138490.db2.gz IOBGHQGCTMSUSP-UHFFFAOYSA-N 0 3 372.856 2.706 50 0 FFAAHN COc1ccccc1N1CCN(CC(C)(C)CN2CCOCC2)[C@H](C)C1 ZINC000072131853 136142109 /nfs/dbraw/zinc/14/21/09/136142109.db2.gz ZHYIVQQJXSVLSU-GOSISDBHSA-N 0 3 361.530 2.564 50 0 FFAAHN CSCC[C@H](O)c1nc(CC2CCN(C)CC2)nn1CC(F)(F)F ZINC000096132643 222038378 /nfs/dbraw/zinc/03/83/78/222038378.db2.gz CEYJLNNTWVIYRC-LBPRGKRZSA-N 0 3 366.453 2.511 50 0 FFAAHN Cc1ccc(-c2nc(-c3n[nH]c4c3CN(C)CC4)n(CC(F)(F)F)n2)o1 ZINC000096141975 222045571 /nfs/dbraw/zinc/04/55/71/222045571.db2.gz PLVXTRBQHJSPHF-UHFFFAOYSA-N 0 3 366.347 2.787 50 0 FFAAHN Cc1cc2cc(NC(=O)NCC[C@@H]3CCC(=O)N3CCN(C)C)ccc2o1 ZINC000096166704 222067116 /nfs/dbraw/zinc/06/71/16/222067116.db2.gz DTPJKEKDEROVAU-KRWDZBQOSA-N 0 3 372.469 2.805 50 0 FFAAHN CCn1c(Cn2cccn2)nnc1C1CCN(Cc2scnc2C)CC1 ZINC000096180715 222069922 /nfs/dbraw/zinc/06/99/22/222069922.db2.gz HWVLUPZLJBHSQO-UHFFFAOYSA-N 0 3 371.514 2.687 50 0 FFAAHN O=C(c1ccc(-n2ccnc2)cc1)N1CCC(N2CCSCC2)CC1 ZINC000097766637 222210727 /nfs/dbraw/zinc/21/07/27/222210727.db2.gz UTTRVEYURUWHLM-UHFFFAOYSA-N 0 3 356.495 2.526 50 0 FFAAHN CC(C)N1CCN(Cc2cnn(-c3cccc(Cl)c3)c2)C[C@H]1CCO ZINC000104367931 222355135 /nfs/dbraw/zinc/35/51/35/222355135.db2.gz MOIKBLKKCAKJBH-LJQANCHMSA-N 0 3 362.905 2.803 50 0 FFAAHN COc1ccc(CN2CCN(CC(C)C)[C@H](CCO)C2)c(Cl)c1OC ZINC000104377360 222357093 /nfs/dbraw/zinc/35/70/93/222357093.db2.gz FHOACDQBTJOUFK-MRXNPFEDSA-N 0 3 370.921 2.882 50 0 FFAAHN O=C(NCc1cccnc1)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065255896 506275127 /nfs/dbraw/zinc/27/51/27/506275127.db2.gz KCAQNRHRKJLZMW-HXUWFJFHSA-N 0 3 373.460 2.558 50 0 FFAAHN Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCCN(C)C)cc1 ZINC000002678702 506287963 /nfs/dbraw/zinc/28/79/63/506287963.db2.gz KLRCGSYAGMCJBG-GHRIWEEISA-N 0 3 357.479 2.505 50 0 FFAAHN COc1cc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)cc(OC)c1OC ZINC000002734737 506290077 /nfs/dbraw/zinc/29/00/77/506290077.db2.gz HQLNLOBMQOWZIR-MRXNPFEDSA-N 0 3 362.470 2.547 50 0 FFAAHN CCCCNCc1cc(OCC)c(OCC(N)=O)cc1Br ZINC000002863797 506297986 /nfs/dbraw/zinc/29/79/86/506297986.db2.gz WMKSEHYOJDVULD-UHFFFAOYSA-N 0 3 359.264 2.602 50 0 FFAAHN CC(C)NS(=O)(=O)c1ccc(NC[C@@H](c2cccs2)N(C)C)nc1 ZINC000032869502 506305727 /nfs/dbraw/zinc/30/57/27/506305727.db2.gz CDRSNOVRUARJNA-AWEZNQCLSA-N 0 3 368.528 2.545 50 0 FFAAHN COc1ccccc1NC(=O)NC[C@H](CN(C)C)[C@@H](O)c1ccccc1 ZINC000032912646 506310884 /nfs/dbraw/zinc/31/08/84/506310884.db2.gz QQUUITJANOBJQF-APWZRJJASA-N 0 3 357.454 2.728 50 0 FFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2cccnc2)n[nH]1 ZINC000035431354 506383819 /nfs/dbraw/zinc/38/38/19/506383819.db2.gz BNIOAEYPYWFWFO-UHFFFAOYSA-N 0 3 361.449 2.866 50 0 FFAAHN Cc1ccccc1CN1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000054153074 506502209 /nfs/dbraw/zinc/50/22/09/506502209.db2.gz RVQILMSOWAOILT-UHFFFAOYSA-N 0 3 362.477 2.592 50 0 FFAAHN CCN1CCC[C@H](OC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)C1 ZINC000006787046 506507201 /nfs/dbraw/zinc/50/72/01/506507201.db2.gz WXCPMYVAXVXIOM-INIZCTEOSA-N 0 3 369.465 2.764 50 0 FFAAHN COC(=O)c1ccc2[nH]c(C)c(CN(C)C3CCN(C)CC3)c(=O)c2c1 ZINC000008714052 506663830 /nfs/dbraw/zinc/66/38/30/506663830.db2.gz UWSVSDSALCLKDG-UHFFFAOYSA-N 0 3 357.454 2.561 50 0 FFAAHN CCOC(=O)c1ccc(OC[C@H](O)CN(C)Cc2cccc(OC)c2)cc1 ZINC000009550221 506702759 /nfs/dbraw/zinc/70/27/59/506702759.db2.gz MJLSFIVNCXTTKG-GOSISDBHSA-N 0 3 373.449 2.744 50 0 FFAAHN COc1ccc(CN2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)cc1 ZINC000011813477 506794875 /nfs/dbraw/zinc/79/48/75/506794875.db2.gz DEVRHMIDZZYBLC-UHFFFAOYSA-N 0 3 371.485 2.510 50 0 FFAAHN CN(C[C@H]1CCCCN1C)C(=O)c1cc(Cn2ccc3ccccc32)n[nH]1 ZINC000011820213 506798059 /nfs/dbraw/zinc/79/80/59/506798059.db2.gz PABZBVGAEKHZTG-GOSISDBHSA-N 0 3 365.481 2.969 50 0 FFAAHN CC(=O)Nc1ccc(CN2CCC[C@@H](CNC(=O)c3cccnc3)C2)cc1 ZINC000011873145 506801360 /nfs/dbraw/zinc/80/13/60/506801360.db2.gz IFXCJAIWRBZZIX-SFHVURJKSA-N 0 3 366.465 2.682 50 0 FFAAHN COc1cccc(CCN2C(=O)CC[C@H]2CCNCc2cccnc2)c1 ZINC000012159207 506825971 /nfs/dbraw/zinc/82/59/71/506825971.db2.gz XTGRGQBQJFDYNM-IBGZPJMESA-N 0 3 353.466 2.804 50 0 FFAAHN CCOC(=O)[C@]1(CCOC)CCCN(Cc2ccc(NC(C)=O)cc2)C1 ZINC000012199252 506833363 /nfs/dbraw/zinc/83/33/63/506833363.db2.gz DZBLTIVFYWMKNM-FQEVSTJZSA-N 0 3 362.470 2.827 50 0 FFAAHN COc1ccc(CN2CCN(C3Cc4ccccc4C3)CCC2=O)cc1 ZINC000012328865 506850356 /nfs/dbraw/zinc/85/03/56/506850356.db2.gz XYWDLPNDSYDBIJ-UHFFFAOYSA-N 0 3 350.462 2.897 50 0 FFAAHN COCCNC(=O)c1cccc(OC2CCN([C@H](C)CSC)CC2)c1 ZINC000012431523 506862564 /nfs/dbraw/zinc/86/25/64/506862564.db2.gz ZQFZXCZAYZQODA-OAHLLOKOSA-N 0 3 366.527 2.658 50 0 FFAAHN CN(C)CCSc1nnc(CNC(=O)c2cccc3ccccc32)n1C ZINC000012456890 506868468 /nfs/dbraw/zinc/86/84/68/506868468.db2.gz HIWIXPSUSHYAIX-UHFFFAOYSA-N 0 3 369.494 2.552 50 0 FFAAHN CC(C)(C)NC(=O)COc1ccc(CNCCOc2ccccn2)cc1 ZINC000057356052 507244942 /nfs/dbraw/zinc/24/49/42/507244942.db2.gz LFGSBAPZVLRUKU-UHFFFAOYSA-N 0 3 357.454 2.544 50 0 FFAAHN CC(C)N1CCC(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000022989580 507323267 /nfs/dbraw/zinc/32/32/67/507323267.db2.gz IDCCGZWGDUGNJD-UHFFFAOYSA-N 0 3 374.481 2.800 50 0 FFAAHN Cn1c(CN2CCC(n3cc(CCCO)nn3)CC2)cc2ccccc21 ZINC000023158628 507335057 /nfs/dbraw/zinc/33/50/57/507335057.db2.gz AAAZBYLGNAKWFK-UHFFFAOYSA-N 0 3 353.470 2.532 50 0 FFAAHN Cc1cnc(N2CCCN(Cc3cccs3)CC2)nc1-c1cnn(C)c1 ZINC000023505547 507357081 /nfs/dbraw/zinc/35/70/81/507357081.db2.gz CIDGXSMBHYTALS-UHFFFAOYSA-N 0 3 368.510 2.959 50 0 FFAAHN COc1cccc([C@H]2CN(Cc3snnc3C)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072121712 507751662 /nfs/dbraw/zinc/75/16/62/507751662.db2.gz DNSPAHQIEIDKAV-MISYRCLQSA-N 0 3 370.522 2.917 50 0 FFAAHN Cc1cccc(CN2CCC[C@@]3(CCN(c4ncccc4C(N)=O)C3)C2)c1 ZINC000072143316 507757077 /nfs/dbraw/zinc/75/70/77/507757077.db2.gz YMBYFUPRUVWWLP-JOCHJYFZSA-N 0 3 364.493 2.981 50 0 FFAAHN Nc1ncccc1CN1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072150803 507759591 /nfs/dbraw/zinc/75/95/91/507759591.db2.gz FQHMUXQCMZOGEP-XUVXKRRUSA-N 0 3 352.457 2.865 50 0 FFAAHN c1c(CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)nn2c1CNCCC2 ZINC000072164946 507766665 /nfs/dbraw/zinc/76/66/65/507766665.db2.gz HLGNKQIUQCYZHF-INIZCTEOSA-N 0 3 364.497 2.707 50 0 FFAAHN CC[C@H](O)CNC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072164457 507767435 /nfs/dbraw/zinc/76/74/35/507767435.db2.gz YGLVTEGDCZXEKJ-NRFANRHFSA-N 0 3 366.505 2.586 50 0 FFAAHN CC(C)(O)CCc1ccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000072418781 507786278 /nfs/dbraw/zinc/78/62/78/507786278.db2.gz LNPDBQZLJNZLNY-FQEVSTJZSA-N 0 3 374.525 2.763 50 0 FFAAHN O=C(c1cnn2c1CCCC2)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072457033 507794011 /nfs/dbraw/zinc/79/40/11/507794011.db2.gz BRIAEWCYZOXHRT-UHFFFAOYSA-N 0 3 364.493 2.882 50 0 FFAAHN CNc1nc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)cs1 ZINC000072475444 507795832 /nfs/dbraw/zinc/79/58/32/507795832.db2.gz YWCOALWNLXBCNW-UHFFFAOYSA-N 0 3 356.495 2.500 50 0 FFAAHN Cn1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1-n1cccc1 ZINC000030859255 507813814 /nfs/dbraw/zinc/81/38/14/507813814.db2.gz LTVHRKKGOGEZOK-UHFFFAOYSA-N 0 3 363.465 2.605 50 0 FFAAHN O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@H](NCc2ccccc2)C1 ZINC000079073854 507930445 /nfs/dbraw/zinc/93/04/45/507930445.db2.gz NYNOOAZTFXRHBC-SFHVURJKSA-N 0 3 367.449 2.879 50 0 FFAAHN C[C@@H]1CCC[C@H](C)N1CC(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091593686 507994593 /nfs/dbraw/zinc/99/45/93/507994593.db2.gz AHQMLFHREANENY-IYBDPMFKSA-N 0 3 370.497 2.675 50 0 FFAAHN O=C1CCC2(CCN(CCc3ccccn3)CC2)CN1C[C@@H]1CCCO1 ZINC000091602568 507995575 /nfs/dbraw/zinc/99/55/75/507995575.db2.gz PPACYCXLVOVANZ-IBGZPJMESA-N 0 3 357.498 2.508 50 0 FFAAHN Cc1cccc(C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c1C ZINC000091644781 507999584 /nfs/dbraw/zinc/99/95/84/507999584.db2.gz XUTCXEPNEXXCQR-UHFFFAOYSA-N 0 3 371.525 2.710 50 0 FFAAHN Cc1noc(C)c1CN1C[C@H]2CC[C@H](CN2Cc2ccc(N(C)C)nc2)C1 ZINC000091694440 508003038 /nfs/dbraw/zinc/00/30/38/508003038.db2.gz ZAYYVJHVIMRRGZ-RBUKOAKNSA-N 0 3 369.513 2.849 50 0 FFAAHN C[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)[C@H](O)c1ccc(O)cc1 ZINC000110542529 508033149 /nfs/dbraw/zinc/03/31/49/508033149.db2.gz JMVYEBIJCGPPPF-GNSUPJDDSA-N 0 3 367.445 2.997 50 0 FFAAHN Cc1c(C(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)[nH]c2c1c(C)ccc2C ZINC000092061552 508038271 /nfs/dbraw/zinc/03/82/71/508038271.db2.gz RAZZOTPOBXKDLM-IRXDYDNUSA-N 0 3 355.482 2.764 50 0 FFAAHN COc1ccc2c(c1)[C@H](NC1CCN(c3ncccn3)CC1)CCCO2 ZINC000375535320 512381221 /nfs/dbraw/zinc/38/12/21/512381221.db2.gz ZXAOVPGAWUCVQC-GOSISDBHSA-N 0 3 354.454 2.958 50 0 FFAAHN Cc1cccc(CC(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)c1 ZINC000095364037 508177035 /nfs/dbraw/zinc/17/70/35/508177035.db2.gz GWLYEMOFMRGINY-IBGZPJMESA-N 0 3 354.498 2.702 50 0 FFAAHN COCCCCCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095376224 508179670 /nfs/dbraw/zinc/17/96/70/508179670.db2.gz QRJRFFWUGUYAIG-KSEOMHKRSA-N 0 3 372.509 2.988 50 0 FFAAHN CN(C)C(=O)N1CC[C@]2(O)CCN(Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC000095380495 508180735 /nfs/dbraw/zinc/18/07/35/508180735.db2.gz ANWVRONGLSGMOT-OXQOHEQNSA-N 0 3 373.522 2.842 50 0 FFAAHN CCN1CC[C@]2(CN(c3nc4ccccc4s3)CCN2C)CCC1=O ZINC000095381857 508181303 /nfs/dbraw/zinc/18/13/03/508181303.db2.gz UKVXMPLWXWYUDU-IBGZPJMESA-N 0 3 358.511 2.819 50 0 FFAAHN COc1cccc(CN2CCC[C@]3(CCOC3)C2)c1OCCn1ccnc1 ZINC000095384352 508182371 /nfs/dbraw/zinc/18/23/71/508182371.db2.gz TZCCABRZZWQQFM-NRFANRHFSA-N 0 3 371.481 2.973 50 0 FFAAHN COc1ccc([C@@H]2CN(C(=O)c3cccn3C)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095391769 508183507 /nfs/dbraw/zinc/18/35/07/508183507.db2.gz HDEOXAJIEFPBOH-CEWLAPEOSA-N 0 3 365.477 2.736 50 0 FFAAHN O=C(Nc1cccc(OCc2ccccc2)c1)NC1CCN(CCO)CC1 ZINC000095508259 508192257 /nfs/dbraw/zinc/19/22/57/508192257.db2.gz SWZAXVFBKOQSKQ-UHFFFAOYSA-N 0 3 369.465 2.844 50 0 FFAAHN COc1ccc(C)c(NC(=O)N2CCC([C@@H](C)N3CCN(C)CC3)CC2)c1 ZINC000095524971 508195756 /nfs/dbraw/zinc/19/57/56/508195756.db2.gz NSKCIRSSVDDPMW-QGZVFWFLSA-N 0 3 374.529 2.883 50 0 FFAAHN CS[C@@H]1CN(C(=O)Nc2cccc(-c3noc(C)n3)c2)C[C@@H]1N(C)C ZINC000095996515 508200779 /nfs/dbraw/zinc/20/07/79/508200779.db2.gz NTTMPAYMUAXCMN-LSDHHAIUSA-N 0 3 361.471 2.554 50 0 FFAAHN C[C@H](CNC(=O)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C)N(C)C1CC1 ZINC000096004541 508202310 /nfs/dbraw/zinc/20/23/10/508202310.db2.gz GMBWOUYIVKRDED-AUUYWEPGSA-N 0 3 353.507 2.765 50 0 FFAAHN CCOc1ccccc1OCCCNCCS(=O)(=O)c1ccccc1 ZINC000096027428 508202768 /nfs/dbraw/zinc/20/27/68/508202768.db2.gz XQEULHUVMQRGCF-UHFFFAOYSA-N 0 3 363.479 2.918 50 0 FFAAHN CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000077287283 508295802 /nfs/dbraw/zinc/29/58/02/508295802.db2.gz UXAIJCKAHUPITP-IBGZPJMESA-N 0 3 352.413 2.540 50 0 FFAAHN CC(=O)N[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1c1ccc(C)cc1 ZINC000077300476 508297029 /nfs/dbraw/zinc/29/70/29/508297029.db2.gz QBSWHRGCQJYYBK-VQTJNVASSA-N 0 3 366.461 2.870 50 0 FFAAHN Cc1cc(C)c2nc(C)cc(C(=O)NCCN3CCCC[C@@H]3CO)c2c1 ZINC000077339130 508302142 /nfs/dbraw/zinc/30/21/42/508302142.db2.gz ZNLNQEHKZHXHBG-QGZVFWFLSA-N 0 3 355.482 2.737 50 0 FFAAHN Cc1cc(-n2cccn2)ccc1-c1nccn1C[C@@H](C)N1CCN(C)CC1 ZINC000077556216 508334292 /nfs/dbraw/zinc/33/42/92/508334292.db2.gz NXCCRBKQEFAXQP-GOSISDBHSA-N 0 3 364.497 2.680 50 0 FFAAHN CN1CCC(O)(CNC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000077660595 508346909 /nfs/dbraw/zinc/34/69/09/508346909.db2.gz OFESFHQWBDVIAP-UHFFFAOYSA-N 0 3 353.466 2.856 50 0 FFAAHN CN(Cc1ccccc1OCCN1CCOCC1)C1CCSCC1 ZINC000215209980 509243516 /nfs/dbraw/zinc/24/35/16/509243516.db2.gz JGWXMDBVAUBFBB-UHFFFAOYSA-N 0 3 350.528 2.725 50 0 FFAAHN O=C(Cc1cccc(C(F)(F)F)c1)N1CCCO[C@H](CN2CCCC2)C1 ZINC000215240512 509247773 /nfs/dbraw/zinc/24/77/73/509247773.db2.gz IRXIFXRBEPQUCZ-QGZVFWFLSA-N 0 3 370.415 2.961 50 0 FFAAHN CCCNc1ncc(CN2CCN(C3Cc4ccccc4C3)CC2)cn1 ZINC000216130155 509258101 /nfs/dbraw/zinc/25/81/01/509258101.db2.gz UHXRRBXNSTWSOF-UHFFFAOYSA-N 0 3 351.498 2.584 50 0 FFAAHN Cn1cnnc1Sc1ccc(CN2CCN[C@@H](c3ccccc3)C2)o1 ZINC000218830146 509281999 /nfs/dbraw/zinc/28/19/99/509281999.db2.gz YVAFHUFZFATKIH-MRXNPFEDSA-N 0 3 355.467 2.706 50 0 FFAAHN OCc1cccc(CNCc2cc3c(c(Br)c2)OCO3)c1 ZINC000222120842 509312969 /nfs/dbraw/zinc/31/29/69/509312969.db2.gz URRGEMACKNDVGT-UHFFFAOYSA-N 0 3 350.212 2.960 50 0 FFAAHN COc1ccccc1CC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192213231 509406255 /nfs/dbraw/zinc/40/62/55/509406255.db2.gz NWHPJKPHSCANJO-FQEVSTJZSA-N 0 3 368.477 2.645 50 0 FFAAHN CC(=O)Nc1ccc(N2C(=O)C[C@H](N[C@@H]3CCC[C@@H](C)[C@@H]3C)C2=O)cc1 ZINC000230462977 509438282 /nfs/dbraw/zinc/43/82/82/509438282.db2.gz AZTKASKUVGNYGP-OBQMCUGOSA-N 0 3 357.454 2.691 50 0 FFAAHN CCc1ccc([C@H](CNc2ncnc(-n3cccn3)c2N)N(C)C)cc1 ZINC000170665832 509708569 /nfs/dbraw/zinc/70/85/69/509708569.db2.gz GQSYAOMTFXAGBA-INIZCTEOSA-N 0 3 351.458 2.522 50 0 FFAAHN O=C1Nc2ccccc2CC[C@@H]1N1CCC(CCCN2CCOCC2)CC1 ZINC000252507370 509846376 /nfs/dbraw/zinc/84/63/76/509846376.db2.gz WJKXSUMCTOFUIR-NRFANRHFSA-N 0 3 371.525 2.764 50 0 FFAAHN O=C(NCCN1CCC[C@@H](CO)C1)c1ccc(-c2cccc(F)c2)cc1 ZINC000244652093 509861215 /nfs/dbraw/zinc/86/12/15/509861215.db2.gz GZTQBLLAAIRSNH-MRXNPFEDSA-N 0 3 356.441 2.927 50 0 FFAAHN Cc1nscc1-c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000274012850 511691491 /nfs/dbraw/zinc/69/14/91/511691491.db2.gz RPRXYWFRECIAJL-UHFFFAOYSA-N 0 3 356.455 2.705 50 0 FFAAHN CCC1CCN(CCNC(=O)N2CCC(O)(c3ccccc3)CC2)CC1 ZINC000426387194 513924593 /nfs/dbraw/zinc/92/45/93/513924593.db2.gz BJOMKGVBDNDTGB-UHFFFAOYSA-N 0 3 359.514 2.802 50 0 FFAAHN Cc1n[nH]cc1CN(C)C(=O)NCCN1CCC[C@@H](c2ccccc2)C1 ZINC000426440349 513942148 /nfs/dbraw/zinc/94/21/48/513942148.db2.gz SAZZLMXKGINMIK-GOSISDBHSA-N 0 3 355.486 2.739 50 0 FFAAHN CO[C@]12CCN(Cc3cnc(C)n3C)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426489702 513956197 /nfs/dbraw/zinc/95/61/97/513956197.db2.gz UIQAHXADSAMXBI-CMKODMSKSA-N 0 3 356.470 2.715 50 0 FFAAHN OCCn1ccc([C@H]2CCCN(Cc3cc(-c4ccccc4)no3)C2)n1 ZINC000426562842 513982099 /nfs/dbraw/zinc/98/20/99/513982099.db2.gz GSKZLBXRLUGPBX-KRWDZBQOSA-N 0 3 352.438 2.910 50 0 FFAAHN O=C(NCc1nc(-c2ccccc2)no1)N1CC[C@H](N2CCCCC2)C1 ZINC000426578796 513985720 /nfs/dbraw/zinc/98/57/20/513985720.db2.gz PJNHQDMVATYJJS-INIZCTEOSA-N 0 3 355.442 2.506 50 0 FFAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)N(C)C1CCN(C)CC1 ZINC000426726892 514024675 /nfs/dbraw/zinc/02/46/75/514024675.db2.gz OAAFZUAWAOHFQF-UHFFFAOYSA-N 0 3 373.476 2.864 50 0 FFAAHN CCOc1cc(CNC(=O)N2CC(N3CCCC[C@H]3C)C2)ccc1OC ZINC000534660386 517989097 /nfs/dbraw/zinc/98/90/97/517989097.db2.gz LXPWONPXQRURRR-OAHLLOKOSA-N 0 3 361.486 2.862 50 0 FFAAHN O=C(CCCn1cncn1)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000299776401 534393335 /nfs/dbraw/zinc/39/33/35/534393335.db2.gz KJMPRQJDSCHVFK-LJQANCHMSA-N 0 3 355.486 2.792 50 0 FFAAHN CCCN1CCCn2nc(CNC(=O)c3cnc4c(c3)CCCC4)cc2C1 ZINC000082162159 519855132 /nfs/dbraw/zinc/85/51/32/519855132.db2.gz XXYPJJZCUUVZSN-UHFFFAOYSA-N 0 3 367.497 2.703 50 0 FFAAHN CN(C)CCOc1cc(NC(=O)C(C)(C)Oc2ccc(F)cc2)ccn1 ZINC000089621029 521798611 /nfs/dbraw/zinc/79/86/11/521798611.db2.gz OTRQCIGDARFCNM-UHFFFAOYSA-N 0 3 361.417 2.957 50 0 FFAAHN COc1cc(CN2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)cc2c1OCO2 ZINC000091270335 522389976 /nfs/dbraw/zinc/38/99/76/522389976.db2.gz BTOKKWQEPQKLIL-HNNXBMFYSA-N 0 3 368.433 2.587 50 0 FFAAHN CCn1c(C)c(C)c2cc(C(=O)NCCCN3CCN(C)CC3)ccc21 ZINC000020583783 523123294 /nfs/dbraw/zinc/12/32/94/523123294.db2.gz QCJXPSYBBORWAR-UHFFFAOYSA-N 0 3 356.514 2.645 50 0 FFAAHN C[C@@H](C1CCN(Cc2nc(-c3ccccc3)no2)CC1)N1CCOCC1 ZINC000020454221 524336463 /nfs/dbraw/zinc/33/64/63/524336463.db2.gz JESGIRNSRWKZPE-INIZCTEOSA-N 0 3 356.470 2.669 50 0 FFAAHN Cc1cc(C)cc(CSCC(=O)NCc2cc3n(n2)CCCNC3)c1 ZINC000082158482 524395613 /nfs/dbraw/zinc/39/56/13/524395613.db2.gz IQANTLKZKCIACG-UHFFFAOYSA-N 0 3 358.511 2.543 50 0 FFAAHN Cc1cc2occ(CC(=O)NCCN3CCCC[C@H]3CO)c2cc1Cl ZINC000216533125 525696214 /nfs/dbraw/zinc/69/62/14/525696214.db2.gz IHFTYSLMDQJDTD-HNNXBMFYSA-N 0 3 364.873 2.900 50 0 FFAAHN COc1cccc(OC)c1CN1CCN(CCC(C)C)[C@@H](CCO)C1 ZINC000020201372 526222052 /nfs/dbraw/zinc/22/20/52/526222052.db2.gz IIHUEOOJGLLJDR-KRWDZBQOSA-N 0 3 350.503 2.619 50 0 FFAAHN O=C(c1cccnc1)N1C[C@@H]2CC[C@H](C1)N(CCOCc1ccccc1)C2 ZINC000091621517 526820080 /nfs/dbraw/zinc/82/00/80/526820080.db2.gz SVSCCLOODIKIHO-TZIWHRDSSA-N 0 3 365.477 2.835 50 0 FFAAHN O=C(c1ccncc1)N1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000019952201 526851262 /nfs/dbraw/zinc/85/12/62/526851262.db2.gz AWNPIEQFQSZQAC-HXUWFJFHSA-N 0 3 350.466 2.851 50 0 FFAAHN O=C1CCC2(CCN(Cc3ccc(CO)o3)CC2)CN1Cc1ccncc1 ZINC000091695727 526965285 /nfs/dbraw/zinc/96/52/85/526965285.db2.gz ZLXDXUJAADNWJL-UHFFFAOYSA-N 0 3 369.465 2.572 50 0 FFAAHN Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000089925361 527466114 /nfs/dbraw/zinc/46/61/14/527466114.db2.gz AXZDKVCTONMGHQ-LJQANCHMSA-N 0 3 351.454 2.551 50 0 FFAAHN CCOc1ccc(NC(=O)N2CCC[C@@](CO)(CN(C)C)C2)cc1Cl ZINC000299781555 528520637 /nfs/dbraw/zinc/52/06/37/528520637.db2.gz LZMUTSMIOQGFIF-GOSISDBHSA-N 0 3 369.893 2.907 50 0 FFAAHN O[C@H](COc1c(Cl)cccc1Cl)CN1CCCN(C2CC2)CC1 ZINC000084339077 571082822 /nfs/dbraw/zinc/08/28/22/571082822.db2.gz MFCANJLOVUWZLL-AWEZNQCLSA-N 0 3 359.297 2.903 50 0 FFAAHN O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000084562540 571089621 /nfs/dbraw/zinc/08/96/21/571089621.db2.gz RJVGCETULLGHSI-NHCUHLMSSA-N 0 3 350.462 2.876 50 0 FFAAHN COc1ccccc1[C@@H]1CN(Cc2cccnc2N)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072144870 571172639 /nfs/dbraw/zinc/17/26/39/571172639.db2.gz FGWRFYCQMVJMOP-CEWLAPEOSA-N 0 3 364.493 2.735 50 0 FFAAHN Cc1c(C(=O)N(C)C2CCN(C)CC2)nnn1-c1ccc(Cl)cc1F ZINC000172794402 729032666 /nfs/dbraw/zinc/03/26/66/729032666.db2.gz FTJWLDJQKAQTSN-UHFFFAOYSA-N 0 3 365.840 2.534 50 0 FFAAHN CCn1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)c(C)n1 ZINC000022909964 966264167 /nfs/dbraw/zinc/26/41/67/966264167.db2.gz CXYLORUPXFNFEM-JOCHJYFZSA-N 0 3 370.541 2.713 50 0 FFAAHN c1ccc(-c2nnc3n2CCN(Cc2cccc4nccnc24)CC3)cc1 ZINC000020601121 970504003 /nfs/dbraw/zinc/50/40/03/970504003.db2.gz NQPVAZJYUUCLBJ-UHFFFAOYSA-N 0 3 356.433 2.947 50 0 FFAAHN C[C@H](NCc1c[nH]c2nccnc12)c1cc(F)ccc1N1CCC(O)CC1 ZINC000585084995 1008295295 /nfs/dbraw/zinc/29/52/95/1008295295.db2.gz HLBRJSLVKARLSF-ZDUSSCGKSA-N 0 3 369.444 2.861 50 0 FFAAHN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1c1nc2c(cnn2C)c(=O)[nH]1 ZINC000585090438 1008339867 /nfs/dbraw/zinc/33/98/67/1008339867.db2.gz NDNCKNRPLWRPRF-SOUVJXGZSA-N 0 3 366.469 2.557 50 0 FFAAHN O=C(CN1CCCCCC1)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000952980201 1011025543 /nfs/dbraw/zinc/02/55/43/1011025543.db2.gz YMXLYLYYOGFEMB-UHFFFAOYSA-N 0 3 358.486 2.675 50 0 FFAAHN c1ccc(C[C@H]2CN(C3CCN(Cc4ccccn4)CC3)CCO2)cc1 ZINC000015076641 1021790138 /nfs/dbraw/zinc/79/01/38/1021790138.db2.gz CQDUPGIWVWULNI-QFIPXVFZSA-N 0 3 351.494 2.990 50 0 FFAAHN CNC(=O)c1cc[nH]c1[C@@H]1CCCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000409420498 1033634293 /nfs/dbraw/zinc/63/42/93/1033634293.db2.gz FMAQYHUALPPXCX-OAHLLOKOSA-N 0 3 357.454 2.771 50 0 FFAAHN Cc1ncsc1CN(Cc1ccccc1)C(=O)CN1CCCN(C)CC1 ZINC001506422171 1059510890 /nfs/dbraw/zinc/51/08/90/1059510890.db2.gz PEAFAKLSEVTJSL-UHFFFAOYSA-N 0 3 372.538 2.618 50 0 FFAAHN CCc1c(C)nn(CC(=O)NCCN2CC[C@@H](c3ccccc3C)C2)c1C ZINC000299778689 529491878 /nfs/dbraw/zinc/49/18/78/529491878.db2.gz NDBGQWZMXVXOQY-LJQANCHMSA-N 0 3 368.525 2.976 50 0 FFAAHN CCc1nccn1CC1(CNC(=O)CCc2n[nH]c3c2CCCC3)CC1 ZINC000299776153 529760024 /nfs/dbraw/zinc/76/00/24/529760024.db2.gz KUBYVCPWSJDLGR-UHFFFAOYSA-N 0 3 355.486 2.577 50 0 FFAAHN CN1CCN(CCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000299794866 530071899 /nfs/dbraw/zinc/07/18/99/530071899.db2.gz LCDGWLADGLTCHO-OAQYLSRUSA-N 0 3 351.494 2.724 50 0 FFAAHN Cc1nn(CCNC(=O)C2(c3ccccc3)CCN(C)CC2)c(C)c1C ZINC000222758516 222748922 /nfs/dbraw/zinc/74/89/22/222748922.db2.gz MDAYOULPESZQRL-UHFFFAOYSA-N 0 3 354.498 2.588 50 0 FFAAHN O=C(CSCCN1CCCC1)NCc1cc(-c2cccc(F)c2)no1 ZINC000252488371 222972164 /nfs/dbraw/zinc/97/21/64/222972164.db2.gz IQPJBYREYMCIEF-UHFFFAOYSA-N 0 3 363.458 2.926 50 0 FFAAHN Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccnn4C)C3)C2)c1 ZINC000012429505 219992461 /nfs/dbraw/zinc/99/24/61/219992461.db2.gz GNONZIWZKJISQA-NRFANRHFSA-N 0 3 352.482 2.857 50 0 FFAAHN O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CNCc1ccccc1 ZINC000012587254 220011292 /nfs/dbraw/zinc/01/12/92/220011292.db2.gz KQDLLIQKBLIXQL-HXUWFJFHSA-N 0 3 360.404 2.608 50 0 FFAAHN COc1cccc(CNC[C@@H](O)COc2ccc(CCC(C)=O)cc2)c1 ZINC000012781032 220029216 /nfs/dbraw/zinc/02/92/16/220029216.db2.gz YPNJFJITTFQASD-LJQANCHMSA-N 0 3 357.450 2.746 50 0 FFAAHN CC(C)CCNC(=O)CC1SC(c2cc3ccccc3oc2=O)=NC1=O ZINC000014022101 220103298 /nfs/dbraw/zinc/10/32/98/220103298.db2.gz MTKFCCRVVMBVGQ-OAHLLOKOSA-N 0 3 372.446 2.734 50 0 FFAAHN COC(=O)c1ccc(/C=C/C(=O)NCc2ccccc2CN(C)C)cc1 ZINC000014084975 220105724 /nfs/dbraw/zinc/10/57/24/220105724.db2.gz IZKQMPVFBIHJAI-JLHYYAGUSA-N 0 3 352.434 2.864 50 0 FFAAHN CCOC(=O)c1ccc(OC[C@@H](O)CN(C)Cc2cccc(F)c2)cc1 ZINC000014200885 220117089 /nfs/dbraw/zinc/11/70/89/220117089.db2.gz KFPMYAYUZSSLQV-SFHVURJKSA-N 0 3 361.413 2.874 50 0 FFAAHN COc1cccc(CN2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3C)c1 ZINC000014538705 220125335 /nfs/dbraw/zinc/12/53/35/220125335.db2.gz GNNSQEJERLBGPZ-UHFFFAOYSA-N 0 3 359.470 2.580 50 0 FFAAHN CCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@H](N1CCCC1)CC2 ZINC000014539790 220126296 /nfs/dbraw/zinc/12/62/96/220126296.db2.gz NSRBNFKGPHAJGE-QGZVFWFLSA-N 0 3 352.482 2.634 50 0 FFAAHN CCN1C(=O)N(CCc2ccccc2)C2(CCN(C3CCC3)CC2)C1=O ZINC000014530438 220126414 /nfs/dbraw/zinc/12/64/14/220126414.db2.gz GSKFJNDMIXILND-UHFFFAOYSA-N 0 3 355.482 2.900 50 0 FFAAHN Cc1ccccc1CN1CCC[C@@H](n2cc(C(=O)N3CCCC3)nn2)C1 ZINC000014982732 220138136 /nfs/dbraw/zinc/13/81/36/220138136.db2.gz RIGGHANRAHRBQW-GOSISDBHSA-N 0 3 353.470 2.660 50 0 FFAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CSC)C1 ZINC000015063879 220143654 /nfs/dbraw/zinc/14/36/54/220143654.db2.gz SKVXBHLBFRHKRK-INIZCTEOSA-N 0 3 350.528 2.771 50 0 FFAAHN COCC(=O)Nc1ccc(C)c(NC(=O)N2CC(N3CCCC[C@H]3C)C2)c1 ZINC000299786126 533067297 /nfs/dbraw/zinc/06/72/97/533067297.db2.gz VYLHJOPRKOBYIM-OAHLLOKOSA-N 0 3 374.485 2.670 50 0 FFAAHN O[C@H]1[C@H](N2CC=CCC2)c2ccccc2C12CCN(Cc1c[nH]cn1)CC2 ZINC000020908257 220343730 /nfs/dbraw/zinc/34/37/30/220343730.db2.gz XATILSXMQQJDLI-RTWAWAEBSA-N 0 3 364.493 2.621 50 0 FFAAHN COc1cccc(Nc2nc(NCCN3CCCC3)nc3c2cnn3C)c1 ZINC000021928399 220371867 /nfs/dbraw/zinc/37/18/67/220371867.db2.gz LQLLATGZMOSVLF-UHFFFAOYSA-N 0 3 367.457 2.623 50 0 FFAAHN COc1ccc([C@H](CNC(=O)CCc2ccc3c(c2)OCO3)N(C)C)cc1 ZINC000021972810 220372332 /nfs/dbraw/zinc/37/23/32/220372332.db2.gz XDEPPKRDVWIQPB-SFHVURJKSA-N 0 3 370.449 2.776 50 0 FFAAHN CN1CCN(CC2CCN(C(=O)Cc3cccc4ccccc43)CC2)CC1 ZINC000057066261 221083521 /nfs/dbraw/zinc/08/35/21/221083521.db2.gz IXWSHUZNOIDARK-UHFFFAOYSA-N 0 3 365.521 2.868 50 0 FFAAHN O=C(NCCN1CCCC[C@@H]1CO)c1cccc(-c2ccc(O)cc2)c1 ZINC000055414607 221069237 /nfs/dbraw/zinc/06/92/37/221069237.db2.gz LXMJSSFUYJGXTN-LJQANCHMSA-N 0 3 354.450 2.636 50 0 FFAAHN COC(=O)CCN(Cc1cc(=O)oc2cc(NC(C)=O)ccc12)CC(C)C ZINC000058191779 221104466 /nfs/dbraw/zinc/10/44/66/221104466.db2.gz WVLXUNHXEOOFLG-UHFFFAOYSA-N 0 3 374.437 2.773 50 0 FFAAHN CCc1c(C(=O)NC[C@H](C)N2CCC(C)CC2)cnn1-c1ccccn1 ZINC000058198010 221105622 /nfs/dbraw/zinc/10/56/22/221105622.db2.gz FZLWVBJJYMLZJJ-INIZCTEOSA-N 0 3 355.486 2.680 50 0 FFAAHN Cc1ccc([C@H](CNC(=O)[C@H](C)NC(=O)c2cccs2)N(C)C)cc1 ZINC000058195644 221105643 /nfs/dbraw/zinc/10/56/43/221105643.db2.gz LWXXNYPMMUJZGE-HOCLYGCPSA-N 0 3 359.495 2.594 50 0 FFAAHN CCN1CCC[C@@H](NC(=O)c2cccc(CSc3nccn3C)c2)C1 ZINC000058295891 221113311 /nfs/dbraw/zinc/11/33/11/221113311.db2.gz FUNFSDDTRBXQKP-QGZVFWFLSA-N 0 3 358.511 2.927 50 0 FFAAHN C[C@@H]1CCCCN1CCNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000058406896 221117387 /nfs/dbraw/zinc/11/73/87/221117387.db2.gz VMJDGBBNKQICRN-SJORKVTESA-N 0 3 362.493 2.826 50 0 FFAAHN C[C@@H](CNC(=O)NC[C@@H]1CCN(c2ccccc2)C1)N1CCC(C)CC1 ZINC000058406589 221117407 /nfs/dbraw/zinc/11/74/07/221117407.db2.gz XBGGRBWCXTYQNX-OALUTQOASA-N 0 3 358.530 2.933 50 0 FFAAHN O=C1CCCN1[C@@H]1CCN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC000276835969 256134853 /nfs/dbraw/zinc/13/48/53/256134853.db2.gz RVPSQURZOVSLDO-LJQANCHMSA-N 0 3 351.450 2.857 50 0 FFAAHN Cc1c(CN2CCC[C@H](c3nncn3Cc3ccccc3)C2)cnn1C ZINC000065287782 221195444 /nfs/dbraw/zinc/19/54/44/221195444.db2.gz SAIFKXUNGNJIGF-SFHVURJKSA-N 0 3 350.470 2.748 50 0 FFAAHN Fc1cnc(N2CCN(Cc3cc(CN4CCCC4)cs3)CC2)nc1 ZINC000065396343 221210950 /nfs/dbraw/zinc/21/09/50/221210950.db2.gz GBXGWUULLPRDFG-UHFFFAOYSA-N 0 3 361.490 2.595 50 0 FFAAHN CCNc1cc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)nc(C)n1 ZINC000065364536 221202931 /nfs/dbraw/zinc/20/29/31/221202931.db2.gz ZRRTXBLJTMCIFN-UHFFFAOYSA-N 0 3 370.457 2.580 50 0 FFAAHN Cc1ccnc([C@@H](C2CC2)n2cnc3sc4c(c3c2=O)CCNC4)c1 ZINC000065405456 221214017 /nfs/dbraw/zinc/21/40/17/221214017.db2.gz WWRNALWQNGQQER-QGZVFWFLSA-N 0 3 352.463 2.807 50 0 FFAAHN C[C@H](NC(=O)CCN1CCC(Oc2ncccn2)CC1)c1ccccc1 ZINC000065469484 221223563 /nfs/dbraw/zinc/22/35/63/221223563.db2.gz QVEANFIUHMFKTJ-INIZCTEOSA-N 0 3 354.454 2.587 50 0 FFAAHN CN1CCC[C@@H](NC(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)C1 ZINC000065488413 221224445 /nfs/dbraw/zinc/22/44/45/221224445.db2.gz CGIVYEHECPJJMJ-GOEBONIOSA-N 0 3 350.894 2.560 50 0 FFAAHN C[C@@H]1CNC(=O)CCN1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000067654968 221266687 /nfs/dbraw/zinc/26/66/87/221266687.db2.gz WURKGNMQJVNJHA-MRXNPFEDSA-N 0 3 361.449 2.645 50 0 FFAAHN CCNc1cc(N2CCN(C(=O)c3ccc(CC)cc3)CC2)nc(C)n1 ZINC000067602177 221260196 /nfs/dbraw/zinc/26/01/96/221260196.db2.gz YFNHGZXBUOTUTR-UHFFFAOYSA-N 0 3 353.470 2.742 50 0 FFAAHN Cc1cc(=O)oc2cc(CN3CCC(C(=O)N4CCCC4)CC3)ccc12 ZINC000067819897 221290253 /nfs/dbraw/zinc/29/02/53/221290253.db2.gz DHNDIBVHLVICEX-UHFFFAOYSA-N 0 3 354.450 2.936 50 0 FFAAHN Cc1ccc(C)c(CNC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)c1 ZINC000067880176 221300229 /nfs/dbraw/zinc/30/02/29/221300229.db2.gz MAAYDBAYERELTI-QHCPKHFHSA-N 0 3 366.505 2.989 50 0 FFAAHN CCNC(=O)[C@@H]1CCN(Cc2cccc(C(=O)Nc3c(C)noc3C)c2)C1 ZINC000067886320 221300593 /nfs/dbraw/zinc/30/05/93/221300593.db2.gz KFBFFYATOIQOHZ-QGZVFWFLSA-N 0 3 370.453 2.502 50 0 FFAAHN CSc1ccc2cc(CN3CCC[C@@H](CCC(N)=O)C3)c(=O)[nH]c2c1 ZINC000067955633 221309122 /nfs/dbraw/zinc/30/91/22/221309122.db2.gz HGCSIZTXOPXRHF-ZDUSSCGKSA-N 0 3 359.495 2.728 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N[C@H]3CCc4ccccc43)cnn2c1 ZINC000067983402 221313189 /nfs/dbraw/zinc/31/31/89/221313189.db2.gz LCUXYRGNLFKTLE-IBGZPJMESA-N 0 3 363.465 2.988 50 0 FFAAHN CN1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccccc3)cc2)CC1 ZINC000071384834 221344787 /nfs/dbraw/zinc/34/47/87/221344787.db2.gz XLSBWARYIIATAL-UHFFFAOYSA-N 0 3 374.506 2.779 50 0 FFAAHN CN1Cc2ccccc2C[C@H]1Cn1ccnc1-c1ccccc1OCCO ZINC000071415641 221346143 /nfs/dbraw/zinc/34/61/43/221346143.db2.gz VCWYHUUCDRTVNV-IBGZPJMESA-N 0 3 363.461 2.978 50 0 FFAAHN COCCN1CCC[C@@H](CNC(=O)c2cccc(-c3ccc[nH]c3=O)c2)C1 ZINC000299783088 533344032 /nfs/dbraw/zinc/34/40/32/533344032.db2.gz FDCCVSDYNFJKKI-INIZCTEOSA-N 0 3 369.465 2.542 50 0 FFAAHN Cc1nccc(C2CCN(CCN3CCN(c4ccccc4)CC3)CC2)n1 ZINC000244734484 132290972 /nfs/dbraw/zinc/29/09/72/132290972.db2.gz NGIGAJPMCJFUSD-UHFFFAOYSA-N 0 3 365.525 2.787 50 0 FFAAHN CCc1ccc(S(=O)(=O)NCC2CCN(c3ccncc3)CC2)s1 ZINC000070922105 136138546 /nfs/dbraw/zinc/13/85/46/136138546.db2.gz PGXRPBHNJFILJT-UHFFFAOYSA-N 0 3 365.524 2.900 50 0 FFAAHN CCCO[C@@H]1CCCN(c2nc(-c3cccnc3)nc3c2CCNC3)C1 ZINC000071765445 136141002 /nfs/dbraw/zinc/14/10/02/136141002.db2.gz WSMZVPUWOPSRTI-MRXNPFEDSA-N 0 3 353.470 2.580 50 0 FFAAHN COc1ccccc1-n1nc(C2CC2)nc1CC[C@@H](C)N1CCN(C)CC1 ZINC000096139129 222042333 /nfs/dbraw/zinc/04/23/33/222042333.db2.gz LUIOWGUYHQSKBK-MRXNPFEDSA-N 0 3 369.513 2.722 50 0 FFAAHN CN1CCC(Cc2nc(CCCn3cccn3)n(CC(F)(F)F)n2)CC1 ZINC000096165707 222064932 /nfs/dbraw/zinc/06/49/32/222064932.db2.gz PSZLNSWJAOLVAS-UHFFFAOYSA-N 0 3 370.423 2.554 50 0 FFAAHN O=C(CCN1CCCC1=O)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000097514309 222186507 /nfs/dbraw/zinc/18/65/07/222186507.db2.gz KPZLSRIWEWJGII-IBGZPJMESA-N 0 3 357.498 2.732 50 0 FFAAHN OC1(Cn2ccnc2)CCN(CC2=Cc3cc(Cl)ccc3OC2)CC1 ZINC000097604238 222198928 /nfs/dbraw/zinc/19/89/28/222198928.db2.gz DAFHXRBAYKPLQQ-UHFFFAOYSA-N 0 3 359.857 2.839 50 0 FFAAHN CC(C)CN1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1CCO ZINC000104426388 222357823 /nfs/dbraw/zinc/35/78/23/222357823.db2.gz MMFJAADTNCXELR-HXUWFJFHSA-N 0 3 360.477 2.536 50 0 FFAAHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000106529652 222386509 /nfs/dbraw/zinc/38/65/09/222386509.db2.gz BJBXIHWOBUZJQH-QYZOEREBSA-N 0 3 358.530 2.933 50 0 FFAAHN Cc1sc2ccccc2c1CN1CCN(C)[C@@]2(C1)CCNC(=O)CC2 ZINC000107414251 222393892 /nfs/dbraw/zinc/39/38/92/222393892.db2.gz UCVSMDSUMRWZQG-HXUWFJFHSA-N 0 3 357.523 2.996 50 0 FFAAHN CNC(=O)c1ccc(CN(C[C@H](O)COc2ccc(F)cc2)C2CC2)cc1 ZINC000025196132 263388691 /nfs/dbraw/zinc/38/86/91/263388691.db2.gz ZPUYJSWDRSOJLN-IBGZPJMESA-N 0 3 372.440 2.590 50 0 FFAAHN COCCN1C(=O)C(CC(=O)Nc2ccccc2)n2c3ccccc3nc21 ZINC000032071446 506227895 /nfs/dbraw/zinc/22/78/95/506227895.db2.gz OILFSCPDLZMDDF-KRWDZBQOSA-N 0 3 364.405 2.599 50 0 FFAAHN O=C(c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1)N1CCCCC1 ZINC000065256040 506276235 /nfs/dbraw/zinc/27/62/35/506276235.db2.gz HXJVGGYUBCSVLO-IBGZPJMESA-N 0 3 350.466 2.859 50 0 FFAAHN Cc1ccc(Cl)c(OCn2ccc(C(=O)NC3CCN(C)CC3)n2)c1 ZINC000002800435 506295221 /nfs/dbraw/zinc/29/52/21/506295221.db2.gz MYHMYZPEMYNQCL-UHFFFAOYSA-N 0 3 362.861 2.705 50 0 FFAAHN CCCN1CCN(c2ncnc3sc(C(=O)N4CCCC4)c(C)c32)CC1 ZINC000033048375 506329075 /nfs/dbraw/zinc/32/90/75/506329075.db2.gz KEEFYSPUYTYHMU-UHFFFAOYSA-N 0 3 373.526 2.768 50 0 FFAAHN O=C(CC1CCN(C(=O)Nc2ccccc2)CC1)NCCN1CCCCC1 ZINC000035399201 506382215 /nfs/dbraw/zinc/38/22/15/506382215.db2.gz YIUCLUPVJLBAHD-UHFFFAOYSA-N 0 3 372.513 2.923 50 0 FFAAHN Cc1ccc(N(C[C@@H](O)CN2CCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000004819203 506396448 /nfs/dbraw/zinc/39/64/48/506396448.db2.gz DJZWPMWOJCHJCS-IBGZPJMESA-N 0 3 374.506 2.647 50 0 FFAAHN CCCn1ncc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)c1C ZINC000036385769 506403342 /nfs/dbraw/zinc/40/33/42/506403342.db2.gz QQTQQWGMVUXTIO-JOCHJYFZSA-N 0 3 370.541 2.713 50 0 FFAAHN O=C(NCCN1CCCCC1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000004954052 506409574 /nfs/dbraw/zinc/40/95/74/506409574.db2.gz ALEXWYIOHWVYQP-MNDPQUGUSA-N 0 3 367.449 2.653 50 0 FFAAHN O=C1[N-]C(=O)/C(=C\c2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000040073245 506463203 /nfs/dbraw/zinc/46/32/03/506463203.db2.gz VDSBFYZSFQYHPA-HKWRFOASSA-N 0 3 362.429 2.972 50 0 FFAAHN CCOC(=O)c1c2c(sc1NC(=O)CN(C)C)C(C)(C)NC(C)(C)C2 ZINC000006497659 506486437 /nfs/dbraw/zinc/48/64/37/506486437.db2.gz DKNKKFIRDQEIHL-UHFFFAOYSA-N 0 3 367.515 2.584 50 0 FFAAHN COc1ccc([C@H]2NC(=N)NC(=N)N2c2ccc(Cl)cc2)cc1OC ZINC000006713544 506499340 /nfs/dbraw/zinc/49/93/40/506499340.db2.gz LAYFRVKCQRHPBM-HNNXBMFYSA-N 0 3 359.817 2.505 50 0 FFAAHN CCOc1cc(Cl)c(S(=O)(=O)[N-]CCC[NH+](C)C)cc1Cl ZINC000007616257 506574734 /nfs/dbraw/zinc/57/47/34/506574734.db2.gz CYSIOBMGYDONEB-UHFFFAOYSA-N 0 3 355.287 2.622 50 0 FFAAHN COc1cc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc(OC)c1OC ZINC000007683618 506579745 /nfs/dbraw/zinc/57/97/45/506579745.db2.gz AVXWRHNAZWVUHY-QGZVFWFLSA-N 0 3 372.465 2.615 50 0 FFAAHN Cc1ccc(C(=O)NCC(=O)NC2CCN(Cc3ccccc3)CC2)s1 ZINC000008314996 506641831 /nfs/dbraw/zinc/64/18/31/506641831.db2.gz SUWPQYURRPDBDN-UHFFFAOYSA-N 0 3 371.506 2.567 50 0 FFAAHN COc1cc(OC)c2[n-]c(C)c(C[N@H+](C)C3CCN(C)CC3)c(=O)c2c1 ZINC000008717261 506664450 /nfs/dbraw/zinc/66/44/50/506664450.db2.gz OTHLMXAZKUFHQS-UHFFFAOYSA-N 0 3 359.470 2.792 50 0 FFAAHN COc1cc(OC)c2[n-]c(C)c(C[N@@H+](C)C3CCN(C)CC3)c(=O)c2c1 ZINC000008717261 506664454 /nfs/dbraw/zinc/66/44/54/506664454.db2.gz OTHLMXAZKUFHQS-UHFFFAOYSA-N 0 3 359.470 2.792 50 0 FFAAHN NC(=O)CCN(Cc1ccccc1)C(=O)CN1CCC[C@@H]1c1ccccc1 ZINC000010340866 506739096 /nfs/dbraw/zinc/73/90/96/506739096.db2.gz IWZHALKNRBJJQH-HXUWFJFHSA-N 0 3 365.477 2.728 50 0 FFAAHN Cc1cc(N2CCN(C3CCCCC3)CC2)n2nc(C(F)(F)F)nc2n1 ZINC000012421728 506861723 /nfs/dbraw/zinc/86/17/23/506861723.db2.gz YVUYITRYPSYUCL-UHFFFAOYSA-N 0 3 368.407 2.906 50 0 FFAAHN Cc1ccc(CN2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)o1 ZINC000012439500 506863747 /nfs/dbraw/zinc/86/37/47/506863747.db2.gz HHLNZZIQXJQNQE-HNNXBMFYSA-N 0 3 356.422 2.959 50 0 FFAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2cnsn2)C1 ZINC000012438306 506864519 /nfs/dbraw/zinc/86/45/19/506864519.db2.gz NEVHGXOOYUQCDG-HNNXBMFYSA-N 0 3 374.510 2.573 50 0 FFAAHN CCCN1CCN(c2ncc3c(n2)CCN(Cc2ccccc2C)C3)CC1 ZINC000015779551 507059331 /nfs/dbraw/zinc/05/93/31/507059331.db2.gz WICVUQCQJZBDJO-UHFFFAOYSA-N 0 3 365.525 2.875 50 0 FFAAHN Cc1cnc(C)c(N2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)n1 ZINC000020351388 507217659 /nfs/dbraw/zinc/21/76/59/507217659.db2.gz OZDSOORRYXRLIY-MOPGFXCFSA-N 0 3 352.482 2.609 50 0 FFAAHN CNC(=O)[C@@H]1C[C@@H](NCc2ccc(SC)cc2)CN1Cc1ccccc1 ZINC000023362470 507346825 /nfs/dbraw/zinc/34/68/25/507346825.db2.gz GYTNAOGNCLIWKR-QUCCMNQESA-N 0 3 369.534 2.887 50 0 FFAAHN Cc1ccc(-c2csc(NC(=O)CN3CCN4CCC[C@@H]4C3)n2)cc1 ZINC000023477194 507356094 /nfs/dbraw/zinc/35/60/94/507356094.db2.gz KTZOZQYLYCRQDC-MRXNPFEDSA-N 0 3 356.495 2.837 50 0 FFAAHN Cc1oc(-c2cccs2)nc1CN1CCC(n2cc(CN)nn2)CC1 ZINC000023582213 507360384 /nfs/dbraw/zinc/36/03/84/507360384.db2.gz CHSZGAZNHZZGGQ-UHFFFAOYSA-N 0 3 358.471 2.599 50 0 FFAAHN C[C@H](CNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1)N1CCCCC1 ZINC000058393701 507413460 /nfs/dbraw/zinc/41/34/60/507413460.db2.gz PFNDTIWVYYMEHU-SJORKVTESA-N 0 3 362.493 2.826 50 0 FFAAHN COc1ncccc1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000060220922 507518828 /nfs/dbraw/zinc/51/88/28/507518828.db2.gz XSKRTFXZVVYVEF-UHFFFAOYSA-N 0 3 357.479 2.934 50 0 FFAAHN Cc1cccc(C(=O)N2CCC[C@@H](Cn3cc(C(C)(C)N)nn3)C2)c1C ZINC000048441267 507523061 /nfs/dbraw/zinc/52/30/61/507523061.db2.gz JDTLLANRRBJKAN-MRXNPFEDSA-N 0 3 355.486 2.641 50 0 FFAAHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(SC(F)(F)F)cc1 ZINC000061649970 507631424 /nfs/dbraw/zinc/63/14/24/507631424.db2.gz SUZZUOMXVZVGER-QWHCGFSZSA-N 0 3 360.401 2.892 50 0 FFAAHN O=C(CCNC(=O)c1ccccc1)NC[C@H](c1cccs1)N1CCCC1 ZINC000027602837 507672128 /nfs/dbraw/zinc/67/21/28/507672128.db2.gz YHAYARAQLSMCDM-QGZVFWFLSA-N 0 3 371.506 2.821 50 0 FFAAHN CN1CCN(C2(CNC(=O)Cc3ccc(Cl)cc3)CCCCC2)CC1 ZINC000027741762 507680277 /nfs/dbraw/zinc/68/02/77/507680277.db2.gz RQOAGTROHJBMMW-UHFFFAOYSA-N 0 3 363.933 2.949 50 0 FFAAHN C[C@H]1CCCCN1C1CN(c2ccnc(C(=O)NCc3ccco3)c2)C1 ZINC000071755203 507711982 /nfs/dbraw/zinc/71/19/82/507711982.db2.gz QXXOVEGLTLYGTD-HNNXBMFYSA-N 0 3 354.454 2.668 50 0 FFAAHN Cc1cc(N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)nc(N)n1 ZINC000072121845 507751784 /nfs/dbraw/zinc/75/17/84/507751784.db2.gz NKRUJPJYDSUVPE-BHIYHBOVSA-N 0 3 371.435 2.712 50 0 FFAAHN CC[C@@H](O)CNC(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1 ZINC000072127134 507752013 /nfs/dbraw/zinc/75/20/13/507752013.db2.gz NAGTYMGNUPXMBL-HXUWFJFHSA-N 0 3 352.478 2.543 50 0 FFAAHN COc1c(C)cnc(CN2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)c1C ZINC000072126363 507752095 /nfs/dbraw/zinc/75/20/95/507752095.db2.gz BMUQMQUEXQQFEU-KRWDZBQOSA-N 0 3 353.466 2.871 50 0 FFAAHN Cc1cc(CC(=O)N2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)on1 ZINC000072140431 507757136 /nfs/dbraw/zinc/75/71/36/507757136.db2.gz AOFOGJVZFUVOII-CEMLEFRQSA-N 0 3 365.477 2.923 50 0 FFAAHN COCCN1CCC[C@@]2(CCN(C(=O)c3nccc4ccccc43)C2)C1 ZINC000072146625 507758113 /nfs/dbraw/zinc/75/81/13/507758113.db2.gz XRLBWLFMEGNOHN-OAQYLSRUSA-N 0 3 353.466 2.809 50 0 FFAAHN COc1ccccc1[C@@H]1CN(Cc2[nH]cnc2C)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072162345 507765068 /nfs/dbraw/zinc/76/50/68/507765068.db2.gz BWERBBKEWSVAAU-IOMROCGXSA-N 0 3 352.482 2.789 50 0 FFAAHN COC(=O)c1n[nH]cc1CN1CCC[C@H](c2nc3cccc(C)c3[nH]2)C1 ZINC000072172907 507769891 /nfs/dbraw/zinc/76/98/91/507769891.db2.gz ZNCLMYUKSHSGKI-ZDUSSCGKSA-N 0 3 353.426 2.761 50 0 FFAAHN OCCN1CCC[C@H](CNc2cc(-c3ccccc3)nc3ccnn32)C1 ZINC000072172767 507770163 /nfs/dbraw/zinc/77/01/63/507770163.db2.gz YDPGVKCQGFSXHD-MRXNPFEDSA-N 0 3 351.454 2.513 50 0 FFAAHN Cc1nc2c(c(NCCO)n1)CCN(Cc1cc3ccccc3o1)CC2 ZINC000072407179 507783847 /nfs/dbraw/zinc/78/38/47/507783847.db2.gz KLZBJKBUCATOGQ-UHFFFAOYSA-N 0 3 352.438 2.536 50 0 FFAAHN COc1cc2c(cc1C(=O)N1CCC([C@H](C)N3CCOCC3)CC1)CCC2 ZINC000072435798 507791648 /nfs/dbraw/zinc/79/16/48/507791648.db2.gz BDCXKLWWLHUFBU-INIZCTEOSA-N 0 3 372.509 2.757 50 0 FFAAHN COc1ccc(OC)c(C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000029839481 507792522 /nfs/dbraw/zinc/79/25/22/507792522.db2.gz ZCKJSPRASAIEHM-UHFFFAOYSA-N 0 3 354.450 2.882 50 0 FFAAHN CN(CC1(N2CCCCC2)CCCCC1)C(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC000072474000 507795297 /nfs/dbraw/zinc/79/52/97/507795297.db2.gz XKLMIKXTUNFZTD-KRWDZBQOSA-N 0 3 368.543 2.582 50 0 FFAAHN CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000072474537 507795637 /nfs/dbraw/zinc/79/56/37/507795637.db2.gz 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ZINC000089690516 507857070 /nfs/dbraw/zinc/85/70/70/507857070.db2.gz BEESMUBJUDIFPI-SFHVURJKSA-N 0 3 359.514 2.756 50 0 FFAAHN CN1CCN(CC2CCN(Cc3cc(=O)c4cccc(F)c4[nH]3)CC2)CC1 ZINC000091304097 507979043 /nfs/dbraw/zinc/97/90/43/507979043.db2.gz VZYSJIOWEFPUGA-UHFFFAOYSA-N 0 3 372.488 2.539 50 0 FFAAHN CCN1CC[C@]2(CN(C/C=C/c3ccc(F)cc3)CCN2C)CCC1=O ZINC000091526370 507991698 /nfs/dbraw/zinc/99/16/98/507991698.db2.gz VYICFIDTXYJQMF-FNEOHHHZSA-N 0 3 359.489 2.858 50 0 FFAAHN COCCN(Cc1cc(=O)c2c(C)ccc(C)c2[nH]1)C1CCN(C)CC1 ZINC000091656871 508000134 /nfs/dbraw/zinc/00/01/34/508000134.db2.gz WCWLFIIKIPHUDU-UHFFFAOYSA-N 0 3 357.498 2.688 50 0 FFAAHN Cc1ccc([C@H]2CN(C(=O)C3=Cc4cc(Cl)ccc4OC3)C[C@@H]2N)o1 ZINC000091794286 508013842 /nfs/dbraw/zinc/01/38/42/508013842.db2.gz LHWPGMYFXOOHME-HOTGVXAUSA-N 0 3 358.825 2.971 50 0 FFAAHN CN1CCc2nc[nH]c2C12CCN(Cc1c[nH]c(CC3CCCC3)n1)CC2 ZINC000091820219 508016194 /nfs/dbraw/zinc/01/61/94/508016194.db2.gz CFTGAVAABHZBSN-UHFFFAOYSA-N 0 3 368.529 2.845 50 0 FFAAHN CN1CCc2nc[nH]c2C12CCN(Cc1cnc(CC3CCCC3)[nH]1)CC2 ZINC000091820219 508016196 /nfs/dbraw/zinc/01/61/96/508016196.db2.gz CFTGAVAABHZBSN-UHFFFAOYSA-N 0 3 368.529 2.845 50 0 FFAAHN Cc1nc[nH]c1CN1C[C@H]2CC[C@H](CN2Cc2ccc3nsnc3c2)C1 ZINC000095362602 508176870 /nfs/dbraw/zinc/17/68/70/508176870.db2.gz GEZWKLURXMOFBA-JKSUJKDBSA-N 0 3 368.510 2.819 50 0 FFAAHN O=C([C@H]1CCCN(Cc2ccco2)C1)N1CCN(Cc2cccs2)CC1 ZINC000095371651 508178767 /nfs/dbraw/zinc/17/87/67/508178767.db2.gz HGNSDDBDXZJQAW-KRWDZBQOSA-N 0 3 373.522 2.898 50 0 FFAAHN O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC(N2CCSCC2)CC1 ZINC000095378715 508180727 /nfs/dbraw/zinc/18/07/27/508180727.db2.gz LPGJVCVDHQKKOA-UHFFFAOYSA-N 0 3 356.495 2.730 50 0 FFAAHN Cc1cc(N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)nc(N)n1 ZINC000095383019 508181213 /nfs/dbraw/zinc/18/12/13/508181213.db2.gz WOIROTODJMVETP-GDIGMMSISA-N 0 3 371.435 2.712 50 0 FFAAHN Cc1[nH+]c(C[N-]S(=O)(=O)Cc2cccc3cccnc32)c2ccccn12 ZINC000095443803 508185043 /nfs/dbraw/zinc/18/50/43/508185043.db2.gz RQIGBBFJIVSOFG-UHFFFAOYSA-N 0 3 366.446 2.811 50 0 FFAAHN CC(C)S(=O)(=O)CC(=O)Nc1cccc(CCN2C[C@@H](C)[C@H](C)C2)c1 ZINC000095465472 508187006 /nfs/dbraw/zinc/18/70/06/508187006.db2.gz GYKVQUULWFKIFU-HZPDHXFCSA-N 0 3 366.527 2.579 50 0 FFAAHN Cc1cc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)ccc1F ZINC000095503339 508191526 /nfs/dbraw/zinc/19/15/26/508191526.db2.gz YZTAFTFQSOMBSD-KRWDZBQOSA-N 0 3 358.461 2.912 50 0 FFAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ncc[nH]1 ZINC000095515330 508193580 /nfs/dbraw/zinc/19/35/80/508193580.db2.gz KFHHPXUVXVUCLM-GOSISDBHSA-N 0 3 370.497 2.835 50 0 FFAAHN CS[C@H]1CN(C(=O)c2csc(-c3ccccn3)n2)C[C@@H]1N1CCCC1 ZINC000095939717 508198631 /nfs/dbraw/zinc/19/86/31/508198631.db2.gz LKAHFEIXBLTUCQ-HOTGVXAUSA-N 0 3 374.535 2.857 50 0 FFAAHN CS[C@H]1CN(C(=O)c2csc(-c3ccccn3)n2)C[C@H]1N1CCCC1 ZINC000095939719 508198639 /nfs/dbraw/zinc/19/86/39/508198639.db2.gz LKAHFEIXBLTUCQ-CVEARBPZSA-N 0 3 374.535 2.857 50 0 FFAAHN CCn1ccc(C(=O)N(C)CC2CCN(Cc3ccccc3)CC2)cc1=O ZINC000077321288 508299906 /nfs/dbraw/zinc/29/99/06/508299906.db2.gz HXIWABDNZDHFBO-UHFFFAOYSA-N 0 3 367.493 2.852 50 0 FFAAHN CCC(CC)CN1CC2(CCN(C(=O)[C@H]3CCCN3CC)CC2)OC1=O ZINC000077358744 508304909 /nfs/dbraw/zinc/30/49/09/508304909.db2.gz GAOYSWJVSBAKTB-QGZVFWFLSA-N 0 3 365.518 2.720 50 0 FFAAHN Cc1ccc([C@@H]2CN(CC(=O)Nc3ccc(C)cn3)C[C@H]2N(C)C)cc1 ZINC000077380439 508308153 /nfs/dbraw/zinc/30/81/53/508308153.db2.gz VJFZJYLUFOGWPX-RBUKOAKNSA-N 0 3 352.482 2.667 50 0 FFAAHN CCc1ccc(CN2CCC[C@]3(CCC(=O)N(CCCOC)C3)C2)nc1 ZINC000077453326 508318266 /nfs/dbraw/zinc/31/82/66/508318266.db2.gz IVQUWJCDSHFJSL-NRFANRHFSA-N 0 3 359.514 2.885 50 0 FFAAHN CCc1ccc2nc(C)cc(C(=O)NCCN3CCC[C@@H](CO)C3)c2c1 ZINC000077504740 508325235 /nfs/dbraw/zinc/32/52/35/508325235.db2.gz ICQAPAQQFIHCPW-QGZVFWFLSA-N 0 3 355.482 2.540 50 0 FFAAHN CCn1ccc2cc(CN3CCC[C@@]4(CCC(=O)N(CCO)C4)C3)ccc21 ZINC000077534855 508329910 /nfs/dbraw/zinc/32/99/10/508329910.db2.gz AECYYMVPKCBGLK-JOCHJYFZSA-N 0 3 369.509 2.858 50 0 FFAAHN C[C@@H](CC(=O)N1CCCN(C2Cc3ccccc3C2)CC1)n1cccn1 ZINC000077534843 508330018 /nfs/dbraw/zinc/33/00/18/508330018.db2.gz NVWXEUBBGAYFRI-KRWDZBQOSA-N 0 3 352.482 2.536 50 0 FFAAHN CCN1CCN(Cc2ccccc2CNC(=O)Nc2ccncc2C)CC1 ZINC000121323895 509166558 /nfs/dbraw/zinc/16/65/58/509166558.db2.gz YCEZZVYKUBIBMO-UHFFFAOYSA-N 0 3 367.497 2.849 50 0 FFAAHN COc1cccc2ccc(N3CCN(Cc4ccccc4)C[C@@H](O)C3)nc21 ZINC000217694960 509272707 /nfs/dbraw/zinc/27/27/07/509272707.db2.gz PUNVEVRJWCOUNL-LJQANCHMSA-N 0 3 363.461 2.927 50 0 FFAAHN CN(C)C[C@@]1(CO)CCCN(C(=O)CSc2ccc(Cl)cc2)C1 ZINC000221235375 509306216 /nfs/dbraw/zinc/30/62/16/509306216.db2.gz PJZTXCNSCKCZNN-KRWDZBQOSA-N 0 3 356.919 2.595 50 0 FFAAHN Cn1cc([C@@H](NC(=O)C2(N3CCCCC3)CCCCC2)C2CC(O)C2)cn1 ZINC000223958116 509351632 /nfs/dbraw/zinc/35/16/32/509351632.db2.gz WHBFENSYPGSYEE-KVZIAJEVSA-N 0 3 374.529 2.537 50 0 FFAAHN CC(C)OCCN1CCC(NC(=O)c2cnc(-c3ccncc3)s2)CC1 ZINC000176686908 509641623 /nfs/dbraw/zinc/64/16/23/509641623.db2.gz WIXXCULPNAIIRE-UHFFFAOYSA-N 0 3 374.510 2.824 50 0 FFAAHN CN(Cc1noc(C2CCCC2)n1)C(=O)CSCCN1CCCC1 ZINC000252495853 509843767 /nfs/dbraw/zinc/84/37/67/509843767.db2.gz PCXOOXOQANYHAL-UHFFFAOYSA-N 0 3 352.504 2.515 50 0 FFAAHN CN(CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1cc2cc(F)ccc2[nH]1 ZINC000243901550 509856086 /nfs/dbraw/zinc/85/60/86/509856086.db2.gz BCHYKDIUOXGKHZ-UHFFFAOYSA-N 0 3 368.412 2.867 50 0 FFAAHN Cc1ccc(NC(=O)CC[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000244701173 509865010 /nfs/dbraw/zinc/86/50/10/509865010.db2.gz KBNWKBAFFHAVJW-UHFFFAOYSA-N 0 3 368.416 2.775 50 0 FFAAHN Cc1ccc(NC(=O)CC[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000244701173 509865017 /nfs/dbraw/zinc/86/50/17/509865017.db2.gz KBNWKBAFFHAVJW-UHFFFAOYSA-N 0 3 368.416 2.775 50 0 FFAAHN O=C(NCCc1cn2cccnc2n1)c1ccc(CN2CCCCC2)cc1 ZINC000244795394 509871025 /nfs/dbraw/zinc/87/10/25/509871025.db2.gz RFPKHBLLCWKSQP-UHFFFAOYSA-N 0 3 363.465 2.688 50 0 FFAAHN c1cc(CN2CCC(N3C[C@H](OCC4CC4)C34CCOCC4)CC2)ccn1 ZINC000257181339 509948107 /nfs/dbraw/zinc/94/81/07/509948107.db2.gz MXDRGIHULPRSPC-NRFANRHFSA-N 0 3 371.525 2.706 50 0 FFAAHN OC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1c1ccncc1 ZINC000257189368 509952315 /nfs/dbraw/zinc/95/23/15/509952315.db2.gz NSOFXERERLJYNE-HKUYNNGSSA-N 0 3 352.413 2.819 50 0 FFAAHN OCCN1CCCn2ccnc2[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000257193143 509953479 /nfs/dbraw/zinc/95/34/79/509953479.db2.gz XHXGXWADTOVXAA-HXUWFJFHSA-N 0 3 354.498 2.534 50 0 FFAAHN CCN1CCC2(CC1)CN(C(=O)CCn1ccnc1)Cc1ccccc1O2 ZINC000257197315 509955121 /nfs/dbraw/zinc/95/51/21/509955121.db2.gz ZVJJRNGTHIPHPX-UHFFFAOYSA-N 0 3 368.481 2.549 50 0 FFAAHN COC[C@@H](Cc1ccccc1)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000185297583 510794943 /nfs/dbraw/zinc/79/49/43/510794943.db2.gz SXBDJYOCAANOGT-LJQANCHMSA-N 0 3 374.506 2.574 50 0 FFAAHN O=C(NCc1c[nH]nc1-c1ccc(F)cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000426358311 513913702 /nfs/dbraw/zinc/91/37/02/513913702.db2.gz MDAUSJBMHJBEAJ-SFHVURJKSA-N 0 3 371.460 2.986 50 0 FFAAHN CCn1ccnc1CN(C)C(=O)NCCN1CCC[C@@H](c2ccccc2)C1 ZINC000426404385 513930205 /nfs/dbraw/zinc/93/02/05/513930205.db2.gz SSCKMTBCIMUDNJ-LJQANCHMSA-N 0 3 369.513 2.924 50 0 FFAAHN COCCN1CCC[C@H](CNC(=O)N2CCC(c3ccccc3)CC2)C1 ZINC000426441925 513942022 /nfs/dbraw/zinc/94/20/22/513942022.db2.gz QMIQTZKADMGJQD-GOSISDBHSA-N 0 3 359.514 2.934 50 0 FFAAHN COCCN1CCC(CN(C)C(=O)N[C@@H](C)Cc2cccs2)CC1 ZINC000426504478 513962512 /nfs/dbraw/zinc/96/25/12/513962512.db2.gz MHGZEEJLGTXYJK-HNNXBMFYSA-N 0 3 353.532 2.679 50 0 FFAAHN Cc1nc(CNC(=O)N2CCCN(C3Cc4ccccc4C3)CC2)cs1 ZINC000426507851 513963529 /nfs/dbraw/zinc/96/35/29/513963529.db2.gz JNYDADKVWFKRFP-UHFFFAOYSA-N 0 3 370.522 2.836 50 0 FFAAHN C[C@@H](O)c1cccc(-c2ccc(C(=O)NC3CCN(CCO)CC3)cc2)c1 ZINC000426635655 514001929 /nfs/dbraw/zinc/00/19/29/514001929.db2.gz XHCOZFPVHPKIDI-MRXNPFEDSA-N 0 3 368.477 2.593 50 0 FFAAHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(-c2cccc(=O)[nH]2)c1 ZINC000426674053 514012093 /nfs/dbraw/zinc/01/20/93/514012093.db2.gz KSVSHOSTXOWFAY-SFHVURJKSA-N 0 3 369.465 2.637 50 0 FFAAHN CO[C@]12CCN(Cc3cccc4nonc43)[C@H]1C[C@H](NC(=O)C(C)C)CC2 ZINC000534584497 517952873 /nfs/dbraw/zinc/95/28/73/517952873.db2.gz GHEUYAJGDPWDBH-OXFYSEKESA-N 0 3 372.469 2.507 50 0 FFAAHN CCNC(=O)c1ccc(-c2ccc3c(c2)OC[C@@H](N2CCCC2)[C@@H]3O)cc1 ZINC000534657554 517986357 /nfs/dbraw/zinc/98/63/57/517986357.db2.gz XGMKDTREDJTING-TZIWHRDSSA-N 0 3 366.461 2.994 50 0 FFAAHN CN(C)C[C@@H](c1ccccc1)N(C)C(=O)NCCC(=O)NC1CCCCC1 ZINC000584894185 518525833 /nfs/dbraw/zinc/52/58/33/518525833.db2.gz JEDLRBZHZWUQOP-IBGZPJMESA-N 0 3 374.529 2.770 50 0 FFAAHN CCCc1ccc(CN2CCC(c3nnc(Cn4ccnc4)n3C)CC2)o1 ZINC000091410884 521397618 /nfs/dbraw/zinc/39/76/18/521397618.db2.gz VCZMQGJKUBAVGG-UHFFFAOYSA-N 0 3 368.485 2.985 50 0 FFAAHN CCOc1ccccc1CN1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082161667 521484684 /nfs/dbraw/zinc/48/46/84/521484684.db2.gz JVWYYRFIYBBFLS-NRFANRHFSA-N 0 3 360.498 2.672 50 0 FFAAHN CN(CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[C@H]1CCSC1 ZINC000241884850 522482246 /nfs/dbraw/zinc/48/22/46/522482246.db2.gz SYHVNWRHBHYFLL-CVEARBPZSA-N 0 3 367.584 2.514 50 0 FFAAHN C[C@@H]1CCCCN1CCNC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000242038590 524109030 /nfs/dbraw/zinc/10/90/30/524109030.db2.gz VMJDGBBNKQICRN-IAGOWNOFSA-N 0 3 362.493 2.826 50 0 FFAAHN Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1 ZINC000089585326 524658019 /nfs/dbraw/zinc/65/80/19/524658019.db2.gz FHYFYOQEPZAWCG-QUCCMNQESA-N 0 3 366.465 2.610 50 0 FFAAHN Cc1cccc(OCC(=O)NCC2(N3CCN(C)CC3)CCCCC2)c1C ZINC000019902164 524716983 /nfs/dbraw/zinc/71/69/83/524716983.db2.gz IIWFAGUZVGBEOA-UHFFFAOYSA-N 0 3 373.541 2.749 50 0 FFAAHN Cc1noc(C)c1CCC(=O)N[C@@H]1CCCN(Cc2cccnc2)CC1 ZINC000082108570 526486934 /nfs/dbraw/zinc/48/69/34/526486934.db2.gz RJZJSFVPPJZXKL-GOSISDBHSA-N 0 3 356.470 2.790 50 0 FFAAHN O=C(CCc1ccc(Cl)cc1Cl)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000089768393 526585362 /nfs/dbraw/zinc/58/53/62/526585362.db2.gz VJMCQIDUVOAYOA-HZPDHXFCSA-N 0 3 357.281 2.594 50 0 FFAAHN CC(C)c1nccc(C(=O)NCC2(c3ccccc3)CCN(C)CC2)n1 ZINC000299783364 528364193 /nfs/dbraw/zinc/36/41/93/528364193.db2.gz ZZSMRPVGICQLOE-UHFFFAOYSA-N 0 3 352.482 2.993 50 0 FFAAHN CCN(CC)CCn1c2ccccc2[nH]c1=NC(=O)CC[C@H]1CCCO1 ZINC000046130339 570928077 /nfs/dbraw/zinc/92/80/77/570928077.db2.gz JFGUGTDLKFKFDC-MRXNPFEDSA-N 0 3 358.486 2.698 50 0 FFAAHN CN1CCCN(CC(=O)NCC[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000670470844 571043842 /nfs/dbraw/zinc/04/38/42/571043842.db2.gz XHZXXEWGYFKXRS-LJQANCHMSA-N 0 3 355.482 2.555 50 0 FFAAHN CC[C@H](c1cccs1)N1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C1=O ZINC000169752181 728981335 /nfs/dbraw/zinc/98/13/35/728981335.db2.gz DUKDFAOGNVVRGO-OWCLPIDISA-N 0 3 355.463 2.711 50 0 FFAAHN Cc1oc(-c2cccs2)nc1CN1CCC(Cn2cc(CN)nn2)CC1 ZINC000023581681 969472327 /nfs/dbraw/zinc/47/23/27/969472327.db2.gz LQBZPAXLMSCJTG-UHFFFAOYSA-N 0 3 372.498 2.674 50 0 FFAAHN C[C@H]1[C@@H](NC(=O)N2CCCc3c(cnn3C)C2)CCN1Cc1ccccc1 ZINC000334127676 972590242 /nfs/dbraw/zinc/59/02/42/972590242.db2.gz QRGQGLWPBABFQS-LPHOPBHVSA-N 0 3 367.497 2.541 50 0 FFAAHN C[C@@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc2c(c1)OCO2 ZINC000186033286 984080758 /nfs/dbraw/zinc/08/07/58/984080758.db2.gz XCUDLCOHIBHBPB-CQSZACIVSA-N 0 3 374.462 2.806 50 0 FFAAHN O=C(N[C@@H]1CCCN(CCc2ccccc2)C1)c1cc(C(F)(F)F)n[nH]1 ZINC000012299388 988497072 /nfs/dbraw/zinc/49/70/72/988497072.db2.gz CSIJEBSNMYLAEU-CQSZACIVSA-N 0 3 366.387 2.865 50 0 FFAAHN COc1cccc(CC(=O)N2CCC([C@H]3[C@@H](OC)CN3C(C)C)CC2)c1 ZINC000581813174 999947417 /nfs/dbraw/zinc/94/74/17/999947417.db2.gz HPYNDGBYNJIRDC-FPOVZHCZSA-N 0 3 360.498 2.584 50 0 FFAAHN C[C@@H]1CN(c2nc3c(cnn3C)c(=O)[nH]2)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000585090436 1008339621 /nfs/dbraw/zinc/33/96/21/1008339621.db2.gz NDNCKNRPLWRPRF-RBSFLKMASA-N 0 3 366.469 2.557 50 0 FFAAHN Cc1nc(C(=O)NCC2CCN(Cc3scnc3C)CC2)cs1 ZINC001506416609 1059503682 /nfs/dbraw/zinc/50/36/82/1059503682.db2.gz KHSPULPARPTAJC-UHFFFAOYSA-N 0 3 350.513 2.858 50 0 FFAAHN CN1CCCN(CC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000299756392 530053747 /nfs/dbraw/zinc/05/37/47/530053747.db2.gz HTDBBHUDLUNNPU-SFHVURJKSA-N 0 3 357.498 2.577 50 0 FFAAHN CN1CCN(CCC(=O)NCc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000299786685 530071701 /nfs/dbraw/zinc/07/17/01/530071701.db2.gz OLZFMGWKULMLEB-UHFFFAOYSA-N 0 3 361.873 2.854 50 0 FFAAHN Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN2CCCC2)c2ccccc2)cc1 ZINC000000895891 219337443 /nfs/dbraw/zinc/33/74/43/219337443.db2.gz PUMGWAPCGWENNG-IBGZPJMESA-N 0 3 374.506 2.647 50 0 FFAAHN Cc1ccc(N(C)C)cc1NC(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000299762395 223085211 /nfs/dbraw/zinc/08/52/11/223085211.db2.gz VUPYSSIOVHEBIA-SFHVURJKSA-N 0 3 373.545 2.552 50 0 FFAAHN Cc1ccc2c(c1)c(C(=O)N1CCC(N3CCSCC3)CC1)nn2C ZINC000299760362 223083213 /nfs/dbraw/zinc/08/32/13/223083213.db2.gz FUXHGMUXRCXBRO-UHFFFAOYSA-N 0 3 358.511 2.535 50 0 FFAAHN Cc1csc2nc(CNC(=O)C3(c4ccccc4)CCN(C)CC3)cn12 ZINC000299777081 223092513 /nfs/dbraw/zinc/09/25/13/223092513.db2.gz ILTNWBFMHGCZSM-UHFFFAOYSA-N 0 3 368.506 2.984 50 0 FFAAHN COc1ccc(-n2cc([C@H](C)NC(=O)CN(C)C3CCCC3)cn2)cc1 ZINC000299780863 223093769 /nfs/dbraw/zinc/09/37/69/223093769.db2.gz CKSSYRCLCUANIT-HNNXBMFYSA-N 0 3 356.470 2.933 50 0 FFAAHN Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCNCC3)c1 ZINC000299790426 223099408 /nfs/dbraw/zinc/09/94/08/223099408.db2.gz BGACYTYSIWJWHV-KRWDZBQOSA-N 0 3 355.486 2.558 50 0 FFAAHN Cc1cc(=O)c(C(=O)N(C)CC2CCN(Cc3ccccc3)CC2)cn1C ZINC000299793671 223101018 /nfs/dbraw/zinc/10/10/18/223101018.db2.gz IRZPPLRJUUQBIJ-UHFFFAOYSA-N 0 3 367.493 2.678 50 0 FFAAHN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)C2CCCC2)cc1 ZINC000012914246 220042003 /nfs/dbraw/zinc/04/20/03/220042003.db2.gz BXSOLGUGPKFYNX-UHFFFAOYSA-N 0 3 367.515 2.530 50 0 FFAAHN CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C1CCCCCC1 ZINC000012938013 220045354 /nfs/dbraw/zinc/04/53/54/220045354.db2.gz YDJZHMMOXFLWGG-UHFFFAOYSA-N 0 3 353.413 2.674 50 0 FFAAHN c1ccc(-n2nnnc2Oc2cccc(CNC[C@H]3CCCO3)c2)cc1 ZINC000013717639 220090052 /nfs/dbraw/zinc/09/00/52/220090052.db2.gz NKFTVGSCQYQMQA-GOSISDBHSA-N 0 3 351.410 2.723 50 0 FFAAHN Cc1ccccc1CNC[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000015074891 220145900 /nfs/dbraw/zinc/14/59/00/220145900.db2.gz AJYQGWCCSVJXRL-OAQYLSRUSA-N 0 3 374.431 2.917 50 0 FFAAHN COc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(C3CCCCC3)CC1)CO2 ZINC000015787361 220164935 /nfs/dbraw/zinc/16/49/35/220164935.db2.gz XBKVEEBXVCPTRC-QGZVFWFLSA-N 0 3 373.497 2.659 50 0 FFAAHN CC[C@@H]1[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)C2ON1c1ccccc1 ZINC000019941831 220306824 /nfs/dbraw/zinc/30/68/24/220306824.db2.gz AJCJNWXPVDJBKE-KURKYZTESA-N 0 3 352.390 2.784 50 0 FFAAHN COCCn1c(C)cc(O)c([C@H](c2ccncc2)N2CCC(C)CC2)c1=O ZINC000022697893 220395115 /nfs/dbraw/zinc/39/51/15/220395115.db2.gz HHCHFWIBJJTOIQ-FQEVSTJZSA-N 0 3 371.481 2.725 50 0 FFAAHN O=C([C@@H](NCCc1c[nH]c2ccccc12)c1ccccc1)N1CCOCC1 ZINC000023817835 220435582 /nfs/dbraw/zinc/43/55/82/220435582.db2.gz FBGQMJDUMNVIHB-NRFANRHFSA-N 0 3 363.461 2.900 50 0 FFAAHN OC1CCN(CCNCc2cnc(-c3ccc4ccccc4c3)nc2)CC1 ZINC000055309483 221066129 /nfs/dbraw/zinc/06/61/29/221066129.db2.gz QGLQJPUOBNHKDF-UHFFFAOYSA-N 0 3 362.477 2.843 50 0 FFAAHN CCc1nc(C)c(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)[nH]1 ZINC000055414311 221069135 /nfs/dbraw/zinc/06/91/35/221069135.db2.gz PVSLCWYTRDANLN-HXUWFJFHSA-N 0 3 370.541 2.782 50 0 FFAAHN Cc1ccc(Cl)c(O[C@H](C)C(=O)NCCCCN2CCN(C)CC2)c1 ZINC000058229476 221110601 /nfs/dbraw/zinc/11/06/01/221110601.db2.gz GCFOXPJTWLRGDR-MRXNPFEDSA-N 0 3 367.921 2.560 50 0 FFAAHN O=C(NCCN1CCCCC1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000058407171 221117446 /nfs/dbraw/zinc/11/74/46/221117446.db2.gz WUJTVDNPLZLECG-HNNXBMFYSA-N 0 3 366.456 2.576 50 0 FFAAHN CCN1CCC(NC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000058420223 221118290 /nfs/dbraw/zinc/11/82/90/221118290.db2.gz YHXQHXPOMXZIBH-OAHLLOKOSA-N 0 3 364.921 2.950 50 0 FFAAHN CCN1CCC(NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000058420063 221118661 /nfs/dbraw/zinc/11/86/61/221118661.db2.gz KMZRCQFKFSFQEA-CQSZACIVSA-N 0 3 366.456 2.575 50 0 FFAAHN CCS(=O)(=O)c1ccc(C(=O)NC[C@]2(N(C)C)CCC[C@H](C)C2)cc1 ZINC000063811203 221144218 /nfs/dbraw/zinc/14/42/18/221144218.db2.gz XMRMWIZOIUQFPY-KXBFYZLASA-N 0 3 366.527 2.721 50 0 FFAAHN Cc1cc(C)c(CN2CCN(c3ccncc3)CC2)cc1Cn1cncn1 ZINC000065372910 221205319 /nfs/dbraw/zinc/20/53/19/221205319.db2.gz RHNNXEJSLKVGIA-UHFFFAOYSA-N 0 3 362.481 2.660 50 0 FFAAHN CN(C)c1ccc([C@H]2CC(=O)Nc3c2cnn3C2CCN(C)CC2)cc1 ZINC000065383300 221207664 /nfs/dbraw/zinc/20/76/64/221207664.db2.gz SEJLOOUJFGKESY-QGZVFWFLSA-N 0 3 353.470 2.690 50 0 FFAAHN CN(C)CCn1nnc2cc(-c3noc(Cc4cccs4)n3)ccc21 ZINC000065254979 221189176 /nfs/dbraw/zinc/18/91/76/221189176.db2.gz XZCYNLRBJUVKQI-UHFFFAOYSA-N 0 3 354.439 2.695 50 0 FFAAHN Cc1ccc2[nH]c(=O)c(CN3CCC[C@H](C(=O)c4nccn4C)C3)cc2c1 ZINC000067473377 221255085 /nfs/dbraw/zinc/25/50/85/221255085.db2.gz MCKBGHKQUPWNHU-HNNXBMFYSA-N 0 3 364.449 2.665 50 0 FFAAHN C[C@H]1CNC(=O)CCN1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000067654969 221266665 /nfs/dbraw/zinc/26/66/65/221266665.db2.gz WURKGNMQJVNJHA-INIZCTEOSA-N 0 3 361.449 2.645 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N(C)[C@H](C)c3ccccn3)cnn2c1 ZINC000067850328 221295844 /nfs/dbraw/zinc/29/58/44/221295844.db2.gz HOAKFTJNOTZPQF-OAHLLOKOSA-N 0 3 366.469 2.799 50 0 FFAAHN C[C@H](Cn1cnc2ccccc2c1=O)NCc1ccc2nsnc2c1 ZINC000067856087 221296659 /nfs/dbraw/zinc/29/66/59/221296659.db2.gz UXDIOQNUXKGTAZ-GFCCVEGCSA-N 0 3 351.435 2.580 50 0 FFAAHN Cc1cc(CNC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)ccc1F ZINC000067894609 221302969 /nfs/dbraw/zinc/30/29/69/221302969.db2.gz CXEPEUSFPQVHPL-QFIPXVFZSA-N 0 3 370.468 2.820 50 0 FFAAHN C[C@@H]1CCCCN1C1CN(c2nc(-c3ccccc3)nc3c2CCNC3)C1 ZINC000067954267 221307507 /nfs/dbraw/zinc/30/75/07/221307507.db2.gz LPTILFVNRTZZBR-MRXNPFEDSA-N 0 3 363.509 2.852 50 0 FFAAHN O=C(c1cc(C2CC2)n[nH]1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071479385 221350176 /nfs/dbraw/zinc/35/01/76/221350176.db2.gz DXLPNPVVRJHDQK-DUXKGJEZSA-N 0 3 362.477 2.990 50 0 FFAAHN CN1CCC(Oc2ccc(CNS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000071754981 221365153 /nfs/dbraw/zinc/36/51/53/221365153.db2.gz IVYHPJVPNFVQBN-UHFFFAOYSA-N 0 3 360.479 2.638 50 0 FFAAHN CCC(=O)OC1(c2ccccc2)CCN(CC[C@H]2CN(C)C(=O)O2)CC1 ZINC000071769284 221373762 /nfs/dbraw/zinc/37/37/62/221373762.db2.gz AEVSRSRNYPRNHS-KRWDZBQOSA-N 0 3 360.454 2.772 50 0 FFAAHN COc1ccccc1[C@H]1CN(c2nc(CO)cs2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072153438 221431121 /nfs/dbraw/zinc/43/11/21/221431121.db2.gz SOYFQPCQRWMFBS-BHIYHBOVSA-N 0 3 371.506 2.711 50 0 FFAAHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)cc1 ZINC000331972881 258208448 /nfs/dbraw/zinc/20/84/48/258208448.db2.gz RWPVDEQJDJTNBK-ROUUACIJSA-N 0 3 364.511 2.661 50 0 FFAAHN Cc1cc(N2CCC[C@]3(CN(C)C(=O)O3)C2)c2cc3c(cc2n1)OCO3 ZINC000072434531 136147155 /nfs/dbraw/zinc/14/71/55/136147155.db2.gz XMRLDXIEJSMQCJ-IBGZPJMESA-N 0 3 355.394 2.693 50 0 FFAAHN CC(C)c1ccccc1NC(=O)NCC[C@@H]1CCC(=O)N1CCN(C)C ZINC000096132940 222038449 /nfs/dbraw/zinc/03/84/49/222038449.db2.gz YZQZSXUPDZHZLL-INIZCTEOSA-N 0 3 360.502 2.874 50 0 FFAAHN CN1CCC(O)(C(=O)NCCc2ccccc2Oc2ccccc2)CC1 ZINC000097402390 222178774 /nfs/dbraw/zinc/17/87/74/222178774.db2.gz VAUMWEJFWLAPHP-UHFFFAOYSA-N 0 3 354.450 2.594 50 0 FFAAHN CC(C)(NC(=O)c1ccc(CN2CCCCC2)cc1)c1nnc(N)s1 ZINC000097480506 222184270 /nfs/dbraw/zinc/18/42/70/222184270.db2.gz QSVHGTWHZJXFRH-UHFFFAOYSA-N 0 3 359.499 2.771 50 0 FFAAHN COc1cc(CN2CCN(C3CCCCC3)C[C@H]2CCO)cc(OC)c1 ZINC000104464498 222358512 /nfs/dbraw/zinc/35/85/12/222358512.db2.gz YJPFNELNPVBIRR-LJQANCHMSA-N 0 3 362.514 2.905 50 0 FFAAHN CCCOc1ccc(N2C(=O)C[C@H](NCCc3ccccc3)C2=O)cc1 ZINC000001814359 506269072 /nfs/dbraw/zinc/26/90/72/506269072.db2.gz KYGCCJRAHIGYSX-IBGZPJMESA-N 0 3 352.434 2.940 50 0 FFAAHN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)N1CCCC1 ZINC000032824236 506299989 /nfs/dbraw/zinc/29/99/89/506299989.db2.gz BZGAHTUDNPUPLD-RHSMWYFYSA-N 0 3 365.905 2.695 50 0 FFAAHN CCOc1ccc(CN(C)CCC(=O)Nc2sccc2C(N)=O)cc1 ZINC000032870746 506305718 /nfs/dbraw/zinc/30/57/18/506305718.db2.gz JLZBRFFGJRIZNN-UHFFFAOYSA-N 0 3 361.467 2.706 50 0 FFAAHN CCc1ccccc1NC(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1 ZINC000033318534 506355689 /nfs/dbraw/zinc/35/56/89/506355689.db2.gz QHFHZFBVKIJVNN-UHFFFAOYSA-N 0 3 368.485 2.768 50 0 FFAAHN CCN(CC)[C@H](CNC(=O)C1CCN(C(C)=O)CC1)c1ccsc1 ZINC000040089502 506464555 /nfs/dbraw/zinc/46/45/55/506464555.db2.gz RVKWUUYNNIPXRF-QGZVFWFLSA-N 0 3 351.516 2.506 50 0 FFAAHN CN(C)Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000040092681 506466875 /nfs/dbraw/zinc/46/68/75/506466875.db2.gz AKVLHYWNLWMVCQ-QGZVFWFLSA-N 0 3 358.486 2.615 50 0 FFAAHN CCN1CCN(Cc2ccc(CNC(=O)Cc3ccc(C)cc3)cc2)CC1 ZINC000040115689 506468378 /nfs/dbraw/zinc/46/83/78/506468378.db2.gz UTONRVZWRKIEOS-UHFFFAOYSA-N 0 3 365.521 2.991 50 0 FFAAHN CC(C)CCN1CCN(C(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000040158046 506478224 /nfs/dbraw/zinc/47/82/24/506478224.db2.gz FUCZRUCSYSVVKR-BJMVGYQFSA-N 0 3 369.509 2.782 50 0 FFAAHN O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCN(c2ccccc2)CC1 ZINC000007095288 506533779 /nfs/dbraw/zinc/53/37/79/506533779.db2.gz QMOYIPUZGYPSNF-FQEVSTJZSA-N 0 3 364.493 2.642 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000007724498 506584501 /nfs/dbraw/zinc/58/45/01/506584501.db2.gz BYDUGASZNYJIDG-IBGZPJMESA-N 0 3 366.461 2.897 50 0 FFAAHN COc1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)N(C)C)cc1 ZINC000010018863 506723322 /nfs/dbraw/zinc/72/33/22/506723322.db2.gz OVPAPMOCZZXFEJ-GOSISDBHSA-N 0 3 366.417 2.834 50 0 FFAAHN CCOc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@H](C)C2)cc1 ZINC000010544008 506745900 /nfs/dbraw/zinc/74/59/00/506745900.db2.gz AEHVMHFHDPUJSZ-IYBDPMFKSA-N 0 3 354.516 2.732 50 0 FFAAHN Cc1cc(C(=O)N(CCc2ccccc2)C[C@@H]2CCCN(C)C2)nn1C ZINC000011874217 506801086 /nfs/dbraw/zinc/80/10/86/506801086.db2.gz WRTSVFYPOAQVHO-LJQANCHMSA-N 0 3 354.498 2.755 50 0 FFAAHN CN(C)[C@H]1CCN(C(=O)c2cc(COc3cccc4cnccc43)on2)C1 ZINC000011997152 506807403 /nfs/dbraw/zinc/80/74/03/506807403.db2.gz UGKUTFKPATZBAC-HNNXBMFYSA-N 0 3 366.421 2.578 50 0 FFAAHN COc1ccc(CNCc2ccc(C)o2)cc1OC[C@@H](O)CN1CCCC1 ZINC000012297946 506844762 /nfs/dbraw/zinc/84/47/62/506844762.db2.gz WAXAMTJYRPBUII-SFHVURJKSA-N 0 3 374.481 2.722 50 0 FFAAHN COc1ccc(CCN2CCC[C@@H](CN(C)C(=O)c3cnsn3)C2)cc1 ZINC000012440250 506864291 /nfs/dbraw/zinc/86/42/91/506864291.db2.gz NEGQVQZZATYPKR-INIZCTEOSA-N 0 3 374.510 2.573 50 0 FFAAHN CSc1ncc(Cl)c(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)n1 ZINC000012552232 506877728 /nfs/dbraw/zinc/87/77/28/506877728.db2.gz CQZKZJBFFBCJOV-CYBMUJFWSA-N 0 3 364.902 2.755 50 0 FFAAHN CN1CCN(CCCNC(=O)Cc2cccc(F)c2)[C@H](c2ccccc2)C1 ZINC000046388237 507128461 /nfs/dbraw/zinc/12/84/61/507128461.db2.gz GIGWITJVNPHSOH-NRFANRHFSA-N 0 3 369.484 2.863 50 0 FFAAHN Cc1ccc(OC[C@H](O)CN[C@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 ZINC000025368179 507494646 /nfs/dbraw/zinc/49/46/46/507494646.db2.gz FEMOJTRGCBCLQI-YLJYHZDGSA-N 0 3 366.465 2.975 50 0 FFAAHN Cc1nn(C)c(C)c1CNCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000069833362 507571523 /nfs/dbraw/zinc/57/15/23/507571523.db2.gz DUCVTRWQUMVPAT-HZPDHXFCSA-N 0 3 356.514 2.936 50 0 FFAAHN CN1CCC(Cc2noc(-c3cn(Cc4ccc(Cl)cc4)nn3)n2)CC1 ZINC000072149147 507759989 /nfs/dbraw/zinc/75/99/89/507759989.db2.gz HXXORVFTJGVOLD-UHFFFAOYSA-N 0 3 372.860 2.914 50 0 FFAAHN Cc1nc([C@H]2CCC[N@H+](Cc3ccc(-c4cc[nH]n4)s3)C2)cc(=O)[n-]1 ZINC000072163837 507767240 /nfs/dbraw/zinc/76/72/40/507767240.db2.gz GQBWOPUXPGFKEX-ZDUSSCGKSA-N 0 3 355.467 2.910 50 0 FFAAHN Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(-c4cc[nH]n4)s3)C2)cc(=O)[n-]1 ZINC000072163837 507767246 /nfs/dbraw/zinc/76/72/46/507767246.db2.gz GQBWOPUXPGFKEX-ZDUSSCGKSA-N 0 3 355.467 2.910 50 0 FFAAHN OCCN1CCC[C@H](CNc2cc(-c3ccccc3F)nc3ccnn32)C1 ZINC000072170564 507769290 /nfs/dbraw/zinc/76/92/90/507769290.db2.gz JYIXUIBRRNCINY-OAHLLOKOSA-N 0 3 369.444 2.652 50 0 FFAAHN CCCN1CCCN(C(=O)Nc2ccccc2OCCC(=O)OC)CC1 ZINC000072313522 507775345 /nfs/dbraw/zinc/77/53/45/507775345.db2.gz VRQNJVQNDHCLQK-UHFFFAOYSA-N 0 3 363.458 2.578 50 0 FFAAHN CCCNc1ncc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)cn1 ZINC000072431695 507790417 /nfs/dbraw/zinc/79/04/17/507790417.db2.gz QVAXIQGVTWWKAF-NRFANRHFSA-N 0 3 365.525 2.974 50 0 FFAAHN COc1ccc(CN2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)cc1 ZINC000072447352 507792866 /nfs/dbraw/zinc/79/28/66/507792866.db2.gz UHIUCNRNCKQAGW-GOSISDBHSA-N 0 3 369.513 2.799 50 0 FFAAHN CSCc1ccc(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)o1 ZINC000072476963 507796384 /nfs/dbraw/zinc/79/63/84/507796384.db2.gz YLTWRNDWTHCHQI-CQSZACIVSA-N 0 3 352.500 2.716 50 0 FFAAHN c1nc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cs1 ZINC000072478061 507796784 /nfs/dbraw/zinc/79/67/84/507796784.db2.gz UNGBNMDCLBJUIO-PWIZWCRZSA-N 0 3 369.490 2.934 50 0 FFAAHN COc1c[nH]c(CN2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)cc1=O ZINC000091390763 507983034 /nfs/dbraw/zinc/98/30/34/507983034.db2.gz ZIDMHZXZNUMIMN-NRFANRHFSA-N 0 3 373.497 2.531 50 0 FFAAHN CCN1CC[C@@]2(CN(C/C=C/c3ccc(F)cc3)CCN2C)CCC1=O ZINC000091526371 507991507 /nfs/dbraw/zinc/99/15/07/507991507.db2.gz VYICFIDTXYJQMF-KTBYTZPXSA-N 0 3 359.489 2.858 50 0 FFAAHN Cc1ccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)cn1 ZINC000091665546 508001232 /nfs/dbraw/zinc/00/12/32/508001232.db2.gz GCDVKRFWQULFCT-UHFFFAOYSA-N 0 3 367.497 2.759 50 0 FFAAHN CCCCc1ncc(CN2CCC[C@]3(CCC(=O)N(CCOC)C3)C2)[nH]1 ZINC000091780700 508012656 /nfs/dbraw/zinc/01/26/56/508012656.db2.gz OCOOITTVOFULSS-FQEVSTJZSA-N 0 3 362.518 2.603 50 0 FFAAHN Cc1nc(C(C)C)sc1C(=O)N1CCCO[C@@H](CN2CCCC2)C1 ZINC000091906582 508023472 /nfs/dbraw/zinc/02/34/72/508023472.db2.gz TVPRZSJNLXBKGK-HNNXBMFYSA-N 0 3 351.516 2.902 50 0 FFAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cnc(N)nc1-c1ccccc1)C2 ZINC000091914962 508024697 /nfs/dbraw/zinc/02/46/97/508024697.db2.gz HQHJHZCQYANYQR-NVXWUHKLSA-N 0 3 365.481 2.672 50 0 FFAAHN CC(=O)c1ccc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)s1 ZINC000095354092 508174596 /nfs/dbraw/zinc/17/45/96/508174596.db2.gz HQMDOLLKTQDRLE-HNNXBMFYSA-N 0 3 374.510 2.729 50 0 FFAAHN COc1ccc([C@@H]2CN(c3ccc(C)nn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095359243 508175276 /nfs/dbraw/zinc/17/52/76/508175276.db2.gz JIIRPNRMHOARHD-CEWLAPEOSA-N 0 3 350.466 2.860 50 0 FFAAHN CN(C)Cc1ccc(CSCCNC(=O)[C@@H]2CCCCCN2C)o1 ZINC000095391264 508183575 /nfs/dbraw/zinc/18/35/75/508183575.db2.gz BDSYLQFQRGUQFZ-KRWDZBQOSA-N 0 3 353.532 2.565 50 0 FFAAHN CCOc1cc(CN(C)CCN2C[C@H]3CC[C@@H](C2)O3)ccc1OC(F)F ZINC000095462695 508187223 /nfs/dbraw/zinc/18/72/23/508187223.db2.gz WQBUVHLDSMUGHD-IYBDPMFKSA-N 0 3 370.440 2.982 50 0 FFAAHN CC1(C)CN(Cc2ccc(OC[C@@H](O)CN3CCCCC3)cc2)CCO1 ZINC000095497319 508189443 /nfs/dbraw/zinc/18/94/43/508189443.db2.gz QIJUPZOZJJFOSR-IBGZPJMESA-N 0 3 362.514 2.523 50 0 FFAAHN COc1cc(C)ccc1C(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 ZINC000095502598 508191252 /nfs/dbraw/zinc/19/12/52/508191252.db2.gz BJXXZLUVLKSNNM-KRWDZBQOSA-N 0 3 370.497 2.782 50 0 FFAAHN Cc1cc(C)nc(CNC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)n1 ZINC000095507308 508192068 /nfs/dbraw/zinc/19/20/68/508192068.db2.gz GYHSKMIZEBCLEU-UHFFFAOYSA-N 0 3 369.469 2.888 50 0 FFAAHN CC(=O)OCCc1cccc(NC(=O)N(CCN(C)C)Cc2ccco2)c1 ZINC000096013036 508203189 /nfs/dbraw/zinc/20/31/89/508203189.db2.gz GDXPMCFDWQDMEY-UHFFFAOYSA-N 0 3 373.453 2.981 50 0 FFAAHN CCOC(=O)c1coc(N2CCC(N3CCc4ccccc4C3)CC2)n1 ZINC000077339689 508302283 /nfs/dbraw/zinc/30/22/83/508302283.db2.gz YZEWKXCDIGCDPO-UHFFFAOYSA-N 0 3 355.438 2.878 50 0 FFAAHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc(OC3CCC3)c(F)c2)CCO1 ZINC000120805413 509068457 /nfs/dbraw/zinc/06/84/57/509068457.db2.gz ICIWUXLWLRGBHQ-OAHLLOKOSA-N 0 3 351.422 2.551 50 0 FFAAHN Cc1cc(C)n(-c2cccc(CN3CCCN(c4ncccn4)CC3)c2)n1 ZINC000215013095 509241136 /nfs/dbraw/zinc/24/11/36/509241136.db2.gz SMVDKNXLWVATMY-UHFFFAOYSA-N 0 3 362.481 2.991 50 0 FFAAHN COc1ccc2[nH]c(=O)c(CN3CCC(Cn4ccnc4C)CC3)cc2c1 ZINC000215160337 509243630 /nfs/dbraw/zinc/24/36/30/509243630.db2.gz ZUWWOMDOJFWOHI-UHFFFAOYSA-N 0 3 366.465 2.954 50 0 FFAAHN COc1c(Cl)cc(Cl)cc1CN1CC[C@H](N2CCN(C)CC2)C1 ZINC000215777121 509250185 /nfs/dbraw/zinc/25/01/85/509250185.db2.gz BMWOHRCPEFVJKG-HNNXBMFYSA-N 0 3 358.313 2.824 50 0 FFAAHN O=C(NCC1CCN([C@H]2CCSC2)CC1)c1cc(=O)c2ccccc2o1 ZINC000225570321 509378779 /nfs/dbraw/zinc/37/87/79/509378779.db2.gz XHEQXEHUPWKVFC-HNNXBMFYSA-N 0 3 372.490 2.740 50 0 FFAAHN O=S(=O)(NCC1CCN(c2ccncc2)CC1)c1ccc2c(c1)CCC2 ZINC000180199497 509807032 /nfs/dbraw/zinc/80/70/32/509807032.db2.gz UVOFWRRWFYUFLP-UHFFFAOYSA-N 0 3 371.506 2.765 50 0 FFAAHN CCC(O)(CC)CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000252533082 509851029 /nfs/dbraw/zinc/85/10/29/509851029.db2.gz FUTUCXYOERYYNZ-UHFFFAOYSA-N 0 3 352.426 2.620 50 0 FFAAHN CCOC(=O)[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000252527796 509849030 /nfs/dbraw/zinc/84/90/30/509849030.db2.gz DJJSWRXPOBMRJY-WOPDTQHZSA-N 0 3 371.275 2.953 50 0 FFAAHN COc1ccc(NC(=O)CCN2CC(N3CCCC[C@@H]3C)C2)c(OC)c1 ZINC000244602081 509861250 /nfs/dbraw/zinc/86/12/50/509861250.db2.gz DXEAVBRTOJZCFU-HNNXBMFYSA-N 0 3 361.486 2.591 50 0 FFAAHN CC(C)c1cc(C(=O)NCCN2CCC(c3ccccc3)CC2)nc(N)n1 ZINC000244673823 509863834 /nfs/dbraw/zinc/86/38/34/509863834.db2.gz HWHWFRAZHVSBFB-UHFFFAOYSA-N 0 3 367.497 2.792 50 0 FFAAHN Cc1nc2cc(C(=O)NC[C@@H]3C[C@H](F)CN3)ccc2n1-c1ccccc1 ZINC000244708188 509865489 /nfs/dbraw/zinc/86/54/89/509865489.db2.gz KPGOWQTZLIDGJN-HOTGVXAUSA-N 0 3 352.413 2.764 50 0 FFAAHN Cc1cccnc1NC(=O)CCN(C)CCc1nc2cc(F)ccc2[nH]1 ZINC000244724138 509867447 /nfs/dbraw/zinc/86/74/47/509867447.db2.gz MOIFSMYMVACVFM-UHFFFAOYSA-N 0 3 355.417 2.909 50 0 FFAAHN COc1ccc(Cl)cc1NC(=O)CCN1CCN2CCCC[C@H]2C1 ZINC000244774272 509869077 /nfs/dbraw/zinc/86/90/77/509869077.db2.gz PRBKSLPPRQIPQQ-HNNXBMFYSA-N 0 3 351.878 2.847 50 0 FFAAHN Cc1ccc(OCc2cccc(C(=O)N3CCN4CCC[C@@H]4C3)c2)cn1 ZINC000172173225 510583249 /nfs/dbraw/zinc/58/32/49/510583249.db2.gz KCPYFWXQPMGJEU-LJQANCHMSA-N 0 3 351.450 2.889 50 0 FFAAHN CN(Cc1cnccn1)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000172283495 510646480 /nfs/dbraw/zinc/64/64/80/510646480.db2.gz ZEZFRPVWYHZYAN-UHFFFAOYSA-N 0 3 359.499 2.592 50 0 FFAAHN CC(C)[C@@H]1N(C(=O)Nc2cnc(N3CCNCC3)nc2)CC12CCCCC2 ZINC000333336771 511208900 /nfs/dbraw/zinc/20/89/00/511208900.db2.gz PCDTXGAUHHXWPL-KRWDZBQOSA-N 0 3 372.517 2.709 50 0 FFAAHN Cc1ccccc1-n1cc(CNC(=O)N2CC(N3CCCC[C@H]3C)C2)cn1 ZINC000426360233 513914479 /nfs/dbraw/zinc/91/44/79/513914479.db2.gz ZLDCCGJRXKXBAT-QGZVFWFLSA-N 0 3 367.497 2.949 50 0 FFAAHN CC(C)Oc1ccccc1-c1cccc(C(=O)NC[C@@H]2CNCCO2)c1 ZINC000426534448 513973005 /nfs/dbraw/zinc/97/30/05/513973005.db2.gz MDRLXDKTPBCMSX-SFHVURJKSA-N 0 3 354.450 2.859 50 0 FFAAHN Cc1cc(CN2CCC(Cc3ccc(CCC(N)=O)cc3)CC2)n(C)n1 ZINC000575560100 518232779 /nfs/dbraw/zinc/23/27/79/518232779.db2.gz RVBJLVGAOYTOAV-UHFFFAOYSA-N 0 3 354.498 2.601 50 0 FFAAHN O=C(CCc1cccc(Cl)c1)NCC1CCN([C@H]2CCOC2)CC1 ZINC000575608624 518233652 /nfs/dbraw/zinc/23/36/52/518233652.db2.gz UYRZAILGYZAGBL-SFHVURJKSA-N 0 3 350.890 2.890 50 0 FFAAHN O=C(NC[C@@H]1CCCO1)c1cccc(-c2cccc(N3CCNCC3)c2)c1 ZINC000584887129 518523725 /nfs/dbraw/zinc/52/37/25/518523725.db2.gz FEIABEALGHQNGO-NRFANRHFSA-N 0 3 365.477 2.672 50 0 FFAAHN COCCN(Cc1ccccc1F)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000584900203 518531128 /nfs/dbraw/zinc/53/11/28/518531128.db2.gz DYRLVIGSWMWSJN-INIZCTEOSA-N 0 3 351.466 2.857 50 0 FFAAHN CCn1c(Cn2cccn2)nnc1C1CCN(Cc2ccc(C)o2)CC1 ZINC000091320893 523205273 /nfs/dbraw/zinc/20/52/73/523205273.db2.gz ZLAOCNODIDLENI-UHFFFAOYSA-N 0 3 354.458 2.824 50 0 FFAAHN COc1ccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c(OC)c1C ZINC000020779536 524031599 /nfs/dbraw/zinc/03/15/99/524031599.db2.gz WARYVDSZZMHRRS-IBGZPJMESA-N 0 3 362.514 2.823 50 0 FFAAHN Cc1ccc(CN2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)o1 ZINC000082087748 524452945 /nfs/dbraw/zinc/45/29/45/524452945.db2.gz LRIRRKAMPBGDNF-FQEVSTJZSA-N 0 3 356.470 2.758 50 0 FFAAHN Cc1ccc(CN2CCC[C@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)o1 ZINC000082087748 524452947 /nfs/dbraw/zinc/45/29/47/524452947.db2.gz LRIRRKAMPBGDNF-FQEVSTJZSA-N 0 3 356.470 2.758 50 0 FFAAHN Cc1ccc([C@@H](O)CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000084148684 525782417 /nfs/dbraw/zinc/78/24/17/525782417.db2.gz REYLDHBQNRCCNW-BEFAXECRSA-N 0 3 362.495 2.630 50 0 FFAAHN O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCN(c2ccncc2)CC1 ZINC000091425015 526584476 /nfs/dbraw/zinc/58/44/76/526584476.db2.gz DRHGVPRQVLDCDA-UHFFFAOYSA-N 0 3 351.385 2.573 50 0 FFAAHN O=C1C[C@H](NCc2cccn2-c2ccccn2)CN1Cc1ccc(F)cc1 ZINC000020865004 527029554 /nfs/dbraw/zinc/02/95/54/527029554.db2.gz KLCBNXHVCMLKIR-SFHVURJKSA-N 0 3 364.424 2.902 50 0 FFAAHN OCCc1cn(C2CCN(CC3=Cc4cc(Cl)ccc4OC3)CC2)nn1 ZINC000020877454 527574539 /nfs/dbraw/zinc/57/45/39/527574539.db2.gz WNSASKPCEPWKOI-UHFFFAOYSA-N 0 3 374.872 2.579 50 0 FFAAHN CCN(C[C@@H]1CCN(C)C1)C(=O)Nc1ccnn1Cc1cccc(F)c1 ZINC000299759616 528682001 /nfs/dbraw/zinc/68/20/01/528682001.db2.gz NLPPIZWDXVQHQO-MRXNPFEDSA-N 0 3 359.449 2.876 50 0 FFAAHN CC(C)c1ccc(CNc2nn3c(nc(CN4CCCC4)cc3=O)[nH]2)cc1 ZINC000101796821 570860594 /nfs/dbraw/zinc/86/05/94/570860594.db2.gz TWDNBRYXSYQDGG-UHFFFAOYSA-N 0 3 366.469 2.749 50 0 FFAAHN CC(C)c1ccc(CNc2nn3c([n-]2)nc(C[NH+]2CCCC2)cc3=O)cc1 ZINC000101796821 570860596 /nfs/dbraw/zinc/86/05/96/570860596.db2.gz TWDNBRYXSYQDGG-UHFFFAOYSA-N 0 3 366.469 2.749 50 0 FFAAHN Cc1csc2c1ncnc2N1CCC[C@@H](Cn2cc(C(C)(C)N)nn2)C1 ZINC000048175522 570936647 /nfs/dbraw/zinc/93/66/47/570936647.db2.gz LTTGNHNBBGPFRP-CYBMUJFWSA-N 0 3 371.514 2.702 50 0 FFAAHN C[C@H]1CN(Cc2ccc3c[nH]nc3c2)CCN1C[C@@H](O)c1ccccc1 ZINC000584908329 571320082 /nfs/dbraw/zinc/32/00/82/571320082.db2.gz FWCCWONVMKPSGM-HRAATJIYSA-N 0 3 350.466 2.803 50 0 FFAAHN CO[C@H]1CN(C2CCN(C(=O)c3ccc(C)s3)CC2)C12CCOCC2 ZINC000581802452 845945423 /nfs/dbraw/zinc/94/54/23/845945423.db2.gz KNDXCVNKQBAYBW-KRWDZBQOSA-N 0 3 364.511 2.541 50 0 FFAAHN CCN1CCCn2nc([C@@H]3CCCN(Cc4ccncc4)C3)cc2C1=O ZINC000675006177 971481194 /nfs/dbraw/zinc/48/11/94/971481194.db2.gz PTHCJBYNRUHQEA-QGZVFWFLSA-N 0 3 353.470 2.524 50 0 FFAAHN COc1ccc(CC(=O)N(CCN2CCCCC2)C2CCOCC2)cc1 ZINC000675019863 971497988 /nfs/dbraw/zinc/49/79/88/971497988.db2.gz KXAFKJUAORWYEG-UHFFFAOYSA-N 0 3 360.498 2.731 50 0 FFAAHN Cc1nc2c(cnn2C)c(N2CCN(Cc3ccccc3C3CC3)CC2)n1 ZINC000678250514 988638527 /nfs/dbraw/zinc/63/85/27/988638527.db2.gz HWKKONQUUNWACS-UHFFFAOYSA-N 0 3 362.481 2.871 50 0 FFAAHN c1ccc(-c2nc3c(c(N4CCN(C[C@@H]5CCOC5)CC4)n2)CCC3)cc1 ZINC000012457729 989463795 /nfs/dbraw/zinc/46/37/95/989463795.db2.gz WLJQWVFNXCUPKA-KRWDZBQOSA-N 0 3 364.493 2.791 50 0 FFAAHN CCCCc1ncc(CN2CCC(CNC(=O)c3cscn3)CC2)[nH]1 ZINC000822884290 998967012 /nfs/dbraw/zinc/96/70/12/998967012.db2.gz IPRUHGCPBPRLKE-UHFFFAOYSA-N 0 3 361.515 2.851 50 0 FFAAHN CCN1CCN(c2ccccc2CNCc2nccc(C(F)F)n2)CC1 ZINC000585083620 1008266622 /nfs/dbraw/zinc/26/66/22/1008266622.db2.gz QNYXIBABQLFHOZ-UHFFFAOYSA-N 0 3 361.440 2.846 50 0 FFAAHN N=c1n(CCN2CCCCC2)c2ccccc2n1C[C@H](O)c1ccco1 ZINC000000858743 219332342 /nfs/dbraw/zinc/33/23/42/219332342.db2.gz WLLGNVXNXLBIKF-SFHVURJKSA-N 0 3 354.454 2.735 50 0 FFAAHN Cc1ccc(S(=O)(=O)N(C[C@H](O)CN2CCCC2)c2ccccc2)cc1 ZINC000000895885 219337886 /nfs/dbraw/zinc/33/78/86/219337886.db2.gz PUMGWAPCGWENNG-LJQANCHMSA-N 0 3 374.506 2.647 50 0 FFAAHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cccc(-c2cncnc2)c1 ZINC000299759285 223083236 /nfs/dbraw/zinc/08/32/36/223083236.db2.gz PWGWPFYJIDKMKU-HXUWFJFHSA-N 0 3 366.465 2.517 50 0 FFAAHN CCS(=O)(=O)CCNC(=O)Nc1cccc(CN2CCCC[C@@H]2C)c1 ZINC000299773359 223090111 /nfs/dbraw/zinc/09/01/11/223090111.db2.gz FOIBLYZVUYUIOX-HNNXBMFYSA-N 0 3 367.515 2.617 50 0 FFAAHN O=c1cc(CN2CCC(CCn3cccn3)CC2)nc2ccc(Cl)cn12 ZINC000299777262 223091925 /nfs/dbraw/zinc/09/19/25/223091925.db2.gz OGPSHEAEERBLTL-UHFFFAOYSA-N 0 3 371.872 2.847 50 0 FFAAHN O=C(Nc1ccc2ncccc2c1)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000299784238 223094821 /nfs/dbraw/zinc/09/48/21/223094821.db2.gz WYYLBOZNTJDPFG-SFHVURJKSA-N 0 3 354.454 3.000 50 0 FFAAHN COCCn1c2ccc(C)cc2cc(CNCCc2ccccn2)c1=O ZINC000299793998 223100629 /nfs/dbraw/zinc/10/06/29/223100629.db2.gz IQRQIRWJQWYJJV-UHFFFAOYSA-N 0 3 351.450 2.684 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2ccoc2)CC1 ZINC000012702910 220017584 /nfs/dbraw/zinc/01/75/84/220017584.db2.gz NSBDZRWPQOYDKV-SFHVURJKSA-N 0 3 361.486 2.513 50 0 FFAAHN O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCN1CCCn1cccn1 ZINC000012703599 220018636 /nfs/dbraw/zinc/01/86/36/220018636.db2.gz ROZYOVILWDDMFB-IBGZPJMESA-N 0 3 364.453 2.562 50 0 FFAAHN Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1cccc(F)c1F)C2 ZINC000014532653 220126229 /nfs/dbraw/zinc/12/62/29/220126229.db2.gz JNJSMVQMJJOECA-AWEZNQCLSA-N 0 3 374.435 2.581 50 0 FFAAHN CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1cccc(F)c1)C2 ZINC000014748176 220132170 /nfs/dbraw/zinc/13/21/70/220132170.db2.gz WIYILKKRNPZVCV-KRWDZBQOSA-N 0 3 370.472 2.925 50 0 FFAAHN CN(C)Cc1ccccc1CNC(=O)CCCNC(=O)NC1CCCCC1 ZINC000014848731 220134090 /nfs/dbraw/zinc/13/40/90/220134090.db2.gz HRKYPQNTIVAHJG-UHFFFAOYSA-N 0 3 374.529 2.777 50 0 FFAAHN COc1ccc(-c2noc(-c3ccc(N(C)[C@H]4CCN(C)C4)nc3)n2)cc1 ZINC000014969578 220137903 /nfs/dbraw/zinc/13/79/03/220137903.db2.gz YNMXLXBIDOKTCW-INIZCTEOSA-N 0 3 365.437 2.948 50 0 FFAAHN COc1cccc(CCN2C(=O)CC[C@H]2CCNCc2ccccn2)c1 ZINC000014999308 220140447 /nfs/dbraw/zinc/14/04/47/220140447.db2.gz YZEUHQXHGWIZCE-IBGZPJMESA-N 0 3 353.466 2.804 50 0 FFAAHN Cc1nonc1C(=O)N(C)C[C@H]1CCCN(CCc2ccccc2F)C1 ZINC000015077272 220147055 /nfs/dbraw/zinc/14/70/55/220147055.db2.gz BZBKSDVHWNASST-OAHLLOKOSA-N 0 3 360.433 2.544 50 0 FFAAHN Cc1ccc2nc(CN(C)[C@@H](C)c3ccc(-n4cncn4)cc3)cc(=O)n2c1 ZINC000017306011 220213285 /nfs/dbraw/zinc/21/32/85/220213285.db2.gz LSZVIIBEPWNWEF-INIZCTEOSA-N 0 3 374.448 2.777 50 0 FFAAHN COC(=O)c1cccc(-c2nc(-c3c(C)ncc4c3CCNC4)no2)c1 ZINC000019794379 220295698 /nfs/dbraw/zinc/29/56/98/220295698.db2.gz FPOYVXOQDOLHST-UHFFFAOYSA-N 0 3 350.378 2.539 50 0 FFAAHN O=C(NCCN1CCCC1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020531094 220331767 /nfs/dbraw/zinc/33/17/67/220331767.db2.gz RMZHKSKIXQVPAC-HXUWFJFHSA-N 0 3 363.461 2.596 50 0 FFAAHN COc1ccc(-c2ccc(NC(=O)NCC3(O)CCN(C)CC3)cc2)cc1 ZINC000299797468 533181545 /nfs/dbraw/zinc/18/15/45/533181545.db2.gz NVRALKYHNXBLJG-UHFFFAOYSA-N 0 3 369.465 2.940 50 0 FFAAHN COc1ccc(-c2n[nH]cc2CN2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)cc1 ZINC000299767716 533187863 /nfs/dbraw/zinc/18/78/63/533187863.db2.gz NJZQMCUXTZNLDJ-IMFGXOCKSA-N 0 3 357.454 2.590 50 0 FFAAHN COc1ccc(CNCc2ccc(CN3CCN(C)CC3)cc2)cc1OC ZINC000048782946 221014573 /nfs/dbraw/zinc/01/45/73/221014573.db2.gz HGXSGPOKTVGFCA-UHFFFAOYSA-N 0 3 369.509 2.741 50 0 FFAAHN CCCN(CCC)CC1=NC(=O)N[C@@H](c2ccc(C)cc2)C1C(=O)OC ZINC000051318284 221034406 /nfs/dbraw/zinc/03/44/06/221034406.db2.gz IOCONZVAMOLHJA-SFHVURJKSA-N 0 3 359.470 2.898 50 0 FFAAHN CCc1noc(CN(C(=O)[C@@H]2CCCN(Cc3ccco3)C2)C(C)C)n1 ZINC000055325389 221065892 /nfs/dbraw/zinc/06/58/92/221065892.db2.gz XTCWWYMPOGXDAA-OAHLLOKOSA-N 0 3 360.458 2.874 50 0 FFAAHN CCOc1ccc(OCC(=O)NCc2cccc(OCCN(C)C)c2)cc1 ZINC000056890892 221081570 /nfs/dbraw/zinc/08/15/70/221081570.db2.gz CYKPNZTYCQKVBT-UHFFFAOYSA-N 0 3 372.465 2.721 50 0 FFAAHN Cc1cccc(-c2ncc(CN(CCN(C)C)C[C@H]3CCCO3)cn2)c1 ZINC000055414426 221069070 /nfs/dbraw/zinc/06/90/70/221069070.db2.gz GWRSTZBTGVVIKE-HXUWFJFHSA-N 0 3 354.498 2.995 50 0 FFAAHN CCc1c(C(=O)NC[C@@H](C)N2CCC(C)CC2)cnn1-c1ccccn1 ZINC000058198008 221105778 /nfs/dbraw/zinc/10/57/78/221105778.db2.gz FZLWVBJJYMLZJJ-MRXNPFEDSA-N 0 3 355.486 2.680 50 0 FFAAHN COc1ccccc1C1(CN[C@@H](C)C(=O)Nc2cc(C)no2)CCOCC1 ZINC000058202140 221106447 /nfs/dbraw/zinc/10/64/47/221106447.db2.gz CLNFHWULXHNAES-HNNXBMFYSA-N 0 3 373.453 2.657 50 0 FFAAHN COc1ccccc1C1(C[NH2+][C@@H](C)C(=O)[N-]c2cc(C)no2)CCOCC1 ZINC000058202140 221106448 /nfs/dbraw/zinc/10/64/48/221106448.db2.gz CLNFHWULXHNAES-HNNXBMFYSA-N 0 3 373.453 2.657 50 0 FFAAHN Cc1cc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c(C)o1 ZINC000058264477 221111125 /nfs/dbraw/zinc/11/11/25/221111125.db2.gz NJFVWIIVYKJQGN-UHFFFAOYSA-N 0 3 355.438 2.846 50 0 FFAAHN CCN1CCC(NC(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000058420221 221118611 /nfs/dbraw/zinc/11/86/11/221118611.db2.gz YHXQHXPOMXZIBH-HNNXBMFYSA-N 0 3 364.921 2.950 50 0 FFAAHN CN(C)Cc1csc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccncc2)c1 ZINC000065423742 221217918 /nfs/dbraw/zinc/21/79/18/221217918.db2.gz HFKGBVNKPVGGNJ-OAHLLOKOSA-N 0 3 367.478 2.924 50 0 FFAAHN CN1CCC(N(Cc2ccncc2)Cc2ccc3c(c2)OCCO3)CC1 ZINC000065488660 221224414 /nfs/dbraw/zinc/22/44/14/221224414.db2.gz LCOMSGMIJUSEIX-UHFFFAOYSA-N 0 3 353.466 2.949 50 0 FFAAHN COC(=O)C1C(CNC2CCCCC2)=NC(=O)N[C@H]1c1ccccc1C ZINC000066089492 221240605 /nfs/dbraw/zinc/24/06/05/221240605.db2.gz IIAKCADCLHWBCT-SFHVURJKSA-N 0 3 357.454 2.698 50 0 FFAAHN CCOc1ncccc1CNc1nc(-c2cccnc2)nc2c1CCNC2 ZINC000067819159 221289701 /nfs/dbraw/zinc/28/97/01/221289701.db2.gz CXHWEXKSGXCHDD-UHFFFAOYSA-N 0 3 362.437 2.590 50 0 FFAAHN COc1ccc(-n2cccn2)c(CN2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000067818128 221290105 /nfs/dbraw/zinc/29/01/05/221290105.db2.gz IHGBFCLUJWMZNY-QGZVFWFLSA-N 0 3 368.481 2.715 50 0 FFAAHN CN1CCC2(CC1)CN(C(=O)c1ccc(Oc3ccccc3)o1)CCN2C ZINC000067790615 221286453 /nfs/dbraw/zinc/28/64/53/221286453.db2.gz KGHKIIGTZFMIRV-UHFFFAOYSA-N 0 3 369.465 2.924 50 0 FFAAHN Cc1cc(CNC[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)ccn1 ZINC000067849945 221293896 /nfs/dbraw/zinc/29/38/96/221293896.db2.gz WYAIWGFVBXFTHZ-NRFANRHFSA-N 0 3 359.514 2.804 50 0 FFAAHN COc1ccccc1OCc1cc(C(=O)N(C)C[C@H]2CCCCN2C)no1 ZINC000067908662 221303704 /nfs/dbraw/zinc/30/37/04/221303704.db2.gz YRMCRGFJAJFLSZ-OAHLLOKOSA-N 0 3 373.453 2.819 50 0 FFAAHN CC[C@@H]1CN(C(=O)c2coc(COc3cccc4cccnc43)n2)CCN1 ZINC000071755015 221364722 /nfs/dbraw/zinc/36/47/22/221364722.db2.gz GBSSMWQPDWOUEV-OAHLLOKOSA-N 0 3 366.421 2.626 50 0 FFAAHN O=S1(=O)CC[C@@H](Cn2ccnc2-c2cc(CN3CCCC3)cs2)C1 ZINC000071761269 221367615 /nfs/dbraw/zinc/36/76/15/221367615.db2.gz BRUAAIQLISVVGL-AWEZNQCLSA-N 0 3 365.524 2.642 50 0 FFAAHN Cc1ccc(CCNC(=O)CCN2CCN(c3cccc(C)c3)CC2)o1 ZINC000095387388 132210111 /nfs/dbraw/zinc/21/01/11/132210111.db2.gz CKCOZEYQKNTUOX-UHFFFAOYSA-N 0 3 355.482 2.767 50 0 FFAAHN CN(C)CCN(CCN(C)C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000097164606 132228108 /nfs/dbraw/zinc/22/81/08/132228108.db2.gz RDMMKTLSIMWVKD-UHFFFAOYSA-N 0 3 361.534 2.634 50 0 FFAAHN Cc1ccc(S[C@@H](C)C(=O)N2CCN(c3cc(C)nc(N)n3)CC2)cc1 ZINC000299771483 132298828 /nfs/dbraw/zinc/29/88/28/132298828.db2.gz YUWZMMZGLGCTGK-HNNXBMFYSA-N 0 3 371.510 2.505 50 0 FFAAHN COc1cccc2c1OCC(CN[C@@H]1CCCN(c3ncccn3)C1)=C2 ZINC000014980491 136132302 /nfs/dbraw/zinc/13/23/02/136132302.db2.gz IZYKMPWJXBTLSB-QGZVFWFLSA-N 0 3 352.438 2.520 50 0 FFAAHN CC(C)c1cccc(N2CCC[C@]3(CCC(=O)N(CCN(C)C)C3)C2)n1 ZINC000072418757 136145883 /nfs/dbraw/zinc/14/58/83/136145883.db2.gz DZNMIUPTHLBNIQ-NRFANRHFSA-N 0 3 358.530 2.976 50 0 FFAAHN Cc1ccc2nc(N3CCC[C@@H](O)C3)c(CN(C)CC3(C)COC3)cc2c1 ZINC000072429679 136146845 /nfs/dbraw/zinc/14/68/45/136146845.db2.gz SZFJQFUGEUDXJJ-LJQANCHMSA-N 0 3 369.509 2.973 50 0 FFAAHN COc1ccc(-c2nc3c([nH]2)CCN(C(=O)CN(C)C2CCCC2)C3)cc1 ZINC000096165713 222064977 /nfs/dbraw/zinc/06/49/77/222064977.db2.gz YGGJWUVZJXDLJJ-UHFFFAOYSA-N 0 3 368.481 2.844 50 0 FFAAHN COc1ccc(-c2nc3c([nH]2)CN(C(=O)CN(C)C2CCCC2)CC3)cc1 ZINC000096165713 222064979 /nfs/dbraw/zinc/06/49/79/222064979.db2.gz YGGJWUVZJXDLJJ-UHFFFAOYSA-N 0 3 368.481 2.844 50 0 FFAAHN Cc1cc2cc(NC(=O)NCC[C@H]3CCC(=O)N3CCN(C)C)ccc2o1 ZINC000096166705 222066226 /nfs/dbraw/zinc/06/62/26/222066226.db2.gz DTPJKEKDEROVAU-QGZVFWFLSA-N 0 3 372.469 2.805 50 0 FFAAHN COc1cc(-c2nnc(SC[C@H]3CCN(C)C3)o2)cc(OC)c1OC ZINC000097165086 222165465 /nfs/dbraw/zinc/16/54/65/222165465.db2.gz CRCJSLDIVBYPNT-NSHDSACASA-N 0 3 365.455 2.806 50 0 FFAAHN Cc1n[nH]c(CCC(=O)NCCN2CCC[C@@H](c3ccccc3)C2)c1C ZINC000097713732 222206784 /nfs/dbraw/zinc/20/67/84/222206784.db2.gz OKHDYZIIAJGAAI-LJQANCHMSA-N 0 3 354.498 2.955 50 0 FFAAHN FC(F)(F)c1ccc(CN2CCCO[C@@H](CN3CCOCC3)C2)cc1 ZINC000097759230 222211330 /nfs/dbraw/zinc/21/13/30/222211330.db2.gz RBFAXSHOCFDIJG-KRWDZBQOSA-N 0 3 358.404 2.629 50 0 FFAAHN CC(C)CCN1CCN(Cc2cc(=O)c3ccccc3[nH]2)C[C@H]1CCO ZINC000104292725 222353506 /nfs/dbraw/zinc/35/35/06/222353506.db2.gz GCWLSYBWLWUHAA-GOSISDBHSA-N 0 3 357.498 2.855 50 0 FFAAHN C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000107072385 222389955 /nfs/dbraw/zinc/38/99/55/222389955.db2.gz LCHXPRGVEGQBNL-RYRKJORJSA-N 0 3 369.465 2.567 50 0 FFAAHN CCc1nc(C)sc1CN1CCN(C)[C@]2(C1)CCC(=O)N(CC)CC2 ZINC000107402807 222393816 /nfs/dbraw/zinc/39/38/16/222393816.db2.gz LZYWAALOILWUOZ-LJQANCHMSA-N 0 3 364.559 2.533 50 0 FFAAHN O=C(O[C@@H]1CN2CCC1CC2)C(CO)(c1ccccc1)c1ccccc1 ZINC000000622138 506224709 /nfs/dbraw/zinc/22/47/09/506224709.db2.gz VHKOZTIPJRRUQY-HXUWFJFHSA-N 0 3 351.446 2.602 50 0 FFAAHN Cc1ccccc1[C@H](OC[C@@H](O)CN1CCC[C@@H](O)C1)c1ccccc1 ZINC000002620477 506283080 /nfs/dbraw/zinc/28/30/80/506283080.db2.gz LPAQJNMFSMKAPT-RZUBCFFCSA-N 0 3 355.478 2.919 50 0 FFAAHN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CNCCCO ZINC000002680250 506288290 /nfs/dbraw/zinc/28/82/90/506288290.db2.gz HIAUKJACEHTXOG-UHFFFAOYSA-N 0 3 362.451 2.502 50 0 FFAAHN COc1ccccc1NC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000032937683 506316268 /nfs/dbraw/zinc/31/62/68/506316268.db2.gz OENSZBLJXUKRJX-UHFFFAOYSA-N 0 3 368.481 2.764 50 0 FFAAHN COc1ccc(CN(C[C@H](O)COC(C)(C)C)C[C@@H]2CCCO2)cc1 ZINC000036095283 506396218 /nfs/dbraw/zinc/39/62/18/506396218.db2.gz YVTYJHGDYRRJHC-HKUYNNGSSA-N 0 3 351.487 2.852 50 0 FFAAHN COc1cccc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000036389944 506404572 /nfs/dbraw/zinc/40/45/72/506404572.db2.gz RHVAZNIUJSESKW-NRFANRHFSA-N 0 3 367.493 2.804 50 0 FFAAHN O=C(NCC1CCN(Cc2cccs2)CC1)[C@@H]1COc2ccccc2O1 ZINC000038584521 506440666 /nfs/dbraw/zinc/44/06/66/506440666.db2.gz ZNTWDBLUIURDLW-IBGZPJMESA-N 0 3 372.490 2.916 50 0 FFAAHN C[C@H]1CCCN(CCNC(=O)c2cccc(I)c2)C1 ZINC000040107557 506468584 /nfs/dbraw/zinc/46/85/84/506468584.db2.gz BOPOIJSNRKKDHY-LBPRGKRZSA-N 0 3 372.250 2.753 50 0 FFAAHN Cc1ccccc1[C@H](OC[C@H](O)CN1CCC[C@H](O)C1)c1ccccc1 ZINC000006451860 506485226 /nfs/dbraw/zinc/48/52/26/506485226.db2.gz LPAQJNMFSMKAPT-TUNNFDKTSA-N 0 3 355.478 2.919 50 0 FFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-n2cccn2)nc1 ZINC000042657989 506650234 /nfs/dbraw/zinc/65/02/34/506650234.db2.gz UWYCSUDXTGSFGL-UHFFFAOYSA-N 0 3 361.449 2.662 50 0 FFAAHN CC(C)N1CCC(CNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000011693587 506789062 /nfs/dbraw/zinc/78/90/62/506789062.db2.gz AMBWWJILPZYKOJ-UHFFFAOYSA-N 0 3 350.528 2.964 50 0 FFAAHN C[C@@H](NC(=O)C1(N2CCCCC2)Cc2ccccc2C1)c1cnn(C)c1 ZINC000011841921 506799206 /nfs/dbraw/zinc/79/92/06/506799206.db2.gz HTCBTEMUBRARKE-MRXNPFEDSA-N 0 3 352.482 2.621 50 0 FFAAHN Cn1cc(CN(CCO)CCO)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012003784 506807763 /nfs/dbraw/zinc/80/77/63/506807763.db2.gz JDOJZJKTQVBQIN-UHFFFAOYSA-N 0 3 357.498 2.921 50 0 FFAAHN CN(C)S(=O)(=O)NC[C@@H]1CCCN(Cc2cc3ccccc3s2)C1 ZINC000012198967 506834286 /nfs/dbraw/zinc/83/42/86/506834286.db2.gz KVGKJSWCEAIHTK-AWEZNQCLSA-N 0 3 367.540 2.509 50 0 FFAAHN COc1c(C)cc(S(=O)(=O)NCC2CCN(C(C)C)CC2)cc1C ZINC000012441460 506863765 /nfs/dbraw/zinc/86/37/65/506863765.db2.gz XYLIETXFEWDEAJ-UHFFFAOYSA-N 0 3 354.516 2.711 50 0 FFAAHN CN1CCN(C[C@H](O)Cn2c3c(c4cccc(Cl)c42)CCCC3)CC1 ZINC000022918326 507320129 /nfs/dbraw/zinc/32/01/29/507320129.db2.gz NAUNZADOQZNCQT-HNNXBMFYSA-N 0 3 361.917 2.782 50 0 FFAAHN CCc1ccccc1NC(=O)C(=O)NCC1CCN(Cc2ccco2)CC1 ZINC000023127489 507332212 /nfs/dbraw/zinc/33/22/12/507332212.db2.gz HZUDNOAQUNTVMW-UHFFFAOYSA-N 0 3 369.465 2.809 50 0 FFAAHN CCOc1ccc(C)cc1S(=O)(=O)NCC1CCN(C(C)C)CC1 ZINC000023127553 507332278 /nfs/dbraw/zinc/33/22/78/507332278.db2.gz NXQGTABMEVMIFU-UHFFFAOYSA-N 0 3 354.516 2.792 50 0 FFAAHN Cc1csc(=O)n1CCCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000023739915 507369132 /nfs/dbraw/zinc/36/91/32/507369132.db2.gz IDBDAPGYVLPVEF-SFHVURJKSA-N 0 3 373.522 2.952 50 0 FFAAHN CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(OCCN(C)C)c2)c1C ZINC000047673069 507377897 /nfs/dbraw/zinc/37/78/97/507377897.db2.gz MWAMDZDOVXHWFJ-UHFFFAOYSA-N 0 3 357.454 2.705 50 0 FFAAHN O=C(NC1CC1)[C@@H](NCC1(N2CCOCC2)CCCCC1)c1ccccc1 ZINC000024519038 507418376 /nfs/dbraw/zinc/41/83/76/507418376.db2.gz QMVWFKDCCFDYDU-FQEVSTJZSA-N 0 3 371.525 2.631 50 0 FFAAHN COc1ccc(CCNC(=O)CN2CC[C@@H]3CCCC[C@@H]3C2)cc1OC ZINC000025410439 507498670 /nfs/dbraw/zinc/49/86/70/507498670.db2.gz FRXTUKPKZWGEBX-ZWKOTPCHSA-N 0 3 360.498 2.875 50 0 FFAAHN COc1ccc([C@@H](CNC(=O)C2=Cc3ccccc3OC2)N(C)C)cc1 ZINC000025715266 507525882 /nfs/dbraw/zinc/52/58/82/507525882.db2.gz BEWQEMGNVTVWEE-LJQANCHMSA-N 0 3 352.434 2.890 50 0 FFAAHN CC(=O)c1ccc(OCc2ccc(C(=O)N3CCN4CCC[C@@H]4C3)o2)cc1 ZINC000028234004 507714348 /nfs/dbraw/zinc/71/43/48/507714348.db2.gz GJOQCBDPAKLEJS-QGZVFWFLSA-N 0 3 368.433 2.981 50 0 FFAAHN CC[C@@H](CO)NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072133833 507755629 /nfs/dbraw/zinc/75/56/29/507755629.db2.gz NZWUEEZVTGYYSS-NRFANRHFSA-N 0 3 366.505 2.586 50 0 FFAAHN Cn1cc(CN2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072158930 507764464 /nfs/dbraw/zinc/76/44/64/507764464.db2.gz PLSHJXPFMHNUHN-XUVXKRRUSA-N 0 3 358.436 2.761 50 0 FFAAHN CN(Cc1cc(C(C)(C)C)[nH]n1)c1nc(-c2cccnc2)nc2c1CNC2 ZINC000072165798 507768018 /nfs/dbraw/zinc/76/80/18/507768018.db2.gz OBJPYDPQHBQPOE-UHFFFAOYSA-N 0 3 363.469 2.799 50 0 FFAAHN c1nc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cs1 ZINC000072165842 507768159 /nfs/dbraw/zinc/76/81/59/507768159.db2.gz UNGBNMDCLBJUIO-NSISKUIASA-N 0 3 369.490 2.934 50 0 FFAAHN OC[C@H]1CCCN(CCNc2cc(-c3ccccc3)nc3ccnn32)C1 ZINC000072433187 507790263 /nfs/dbraw/zinc/79/02/63/507790263.db2.gz BHEBXPZMTYSREX-INIZCTEOSA-N 0 3 351.454 2.513 50 0 FFAAHN COc1ccc(Cl)cc1C(=O)N1CCC([C@H](C)N2CCOCC2)CC1 ZINC000072457131 507793926 /nfs/dbraw/zinc/79/39/26/507793926.db2.gz DAXQDNYPESDKHO-AWEZNQCLSA-N 0 3 366.889 2.922 50 0 FFAAHN COc1cccc(-c2ncc(CN3C[C@H]4CC[C@@H](C3)C(=O)N4C)s2)c1 ZINC000072457909 507794206 /nfs/dbraw/zinc/79/42/06/507794206.db2.gz OQABZOCUKOPEEG-LSDHHAIUSA-N 0 3 357.479 2.871 50 0 FFAAHN C[C@@H](C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)N1CCCC1 ZINC000072481379 507797836 /nfs/dbraw/zinc/79/78/36/507797836.db2.gz ZFKFYKINEVBTBX-AWEZNQCLSA-N 0 3 370.415 3.000 50 0 FFAAHN O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCCO[C@@H](CN2CCCCC2)C1 ZINC000091256015 507976659 /nfs/dbraw/zinc/97/66/59/507976659.db2.gz JODAKXMCFCZYNI-IBGZPJMESA-N 0 3 368.481 2.794 50 0 FFAAHN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCCC[C@@H]1CCn1ccnc1 ZINC000091574123 507993376 /nfs/dbraw/zinc/99/33/76/507993376.db2.gz OFYMBVVYXDRSDY-QGZVFWFLSA-N 0 3 350.426 2.753 50 0 FFAAHN CN(C)CCn1ccnc1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000091663619 508000447 /nfs/dbraw/zinc/00/04/47/508000447.db2.gz RERNLWBDJJTUBM-UHFFFAOYSA-N 0 3 365.481 2.946 50 0 FFAAHN O=c1cc(CN2C[C@H]3C[C@@H](C2)[C@@H]2CCCC(=O)N2C3)[nH]c2ccc(F)cc12 ZINC000091656737 508000627 /nfs/dbraw/zinc/00/06/27/508000627.db2.gz BZUQXOQVCAEMGO-TYILLQQXSA-N 0 3 369.440 2.912 50 0 FFAAHN Cc1ccc(F)c(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)c1 ZINC000091689905 508002075 /nfs/dbraw/zinc/00/20/75/508002075.db2.gz UQQYKTAEYLHSLK-HZPDHXFCSA-N 0 3 352.475 2.629 50 0 FFAAHN CCN1CC[C@@]2(CN(Cc3cccc4cccnc43)CCN2C)CCC1=O ZINC000091988342 508030770 /nfs/dbraw/zinc/03/07/70/508030770.db2.gz LMNGBDHHSODTGQ-JOCHJYFZSA-N 0 3 366.509 2.753 50 0 FFAAHN CCn1c(C)cc(C(=O)N2CCC([C@@H](C)N3CCN(C)CC3)CC2)c1C ZINC000092019318 508034349 /nfs/dbraw/zinc/03/43/49/508034349.db2.gz PVDHOADDGNRFKP-QGZVFWFLSA-N 0 3 360.546 2.613 50 0 FFAAHN Cc1[nH]c2c(c1CC(=O)NCCN1CCCC[C@H]1CO)c(C)ccc2C ZINC000092078244 508041581 /nfs/dbraw/zinc/04/15/81/508041581.db2.gz BWKOKOCSPCKUDK-KRWDZBQOSA-N 0 3 357.498 2.599 50 0 FFAAHN CN(C)CCn1ccnc1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000092080500 508041952 /nfs/dbraw/zinc/04/19/52/508041952.db2.gz QHGLGQOXVOCDJS-VQTJNVASSA-N 0 3 366.509 2.954 50 0 FFAAHN CCOC(=O)c1c(C)[nH]c(CCC(=O)NCCN2CCCC[C@@H]2C)c1C ZINC000075352849 508101169 /nfs/dbraw/zinc/10/11/69/508101169.db2.gz TUYSPDBARBMTOA-AWEZNQCLSA-N 0 3 363.502 2.731 50 0 FFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000095361849 508176070 /nfs/dbraw/zinc/17/60/70/508176070.db2.gz IZXPGVQKUOBHPR-KRWDZBQOSA-N 0 3 365.481 2.946 50 0 FFAAHN O=C1[C@H]2CC[C@H](CN(Cc3ccc(-n4cccn4)cc3)C2)N1CC1CC1 ZINC000095362235 508176200 /nfs/dbraw/zinc/17/62/00/508176200.db2.gz YVZDREUZMSOOCP-AZUAARDMSA-N 0 3 350.466 2.705 50 0 FFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000095371631 508179273 /nfs/dbraw/zinc/17/92/73/508179273.db2.gz XAVSGYFUPSZCLK-SFHVURJKSA-N 0 3 372.488 2.923 50 0 FFAAHN CCn1cc(CN2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000095381524 508181263 /nfs/dbraw/zinc/18/12/63/508181263.db2.gz UDAUJOPTHRZXQN-PWRODBHTSA-N 0 3 352.482 2.671 50 0 FFAAHN COCCN1C[C@H]2CC[C@@H]1CN(Cc1cc(Cl)cc(OC)c1OC)C2 ZINC000095385579 508182276 /nfs/dbraw/zinc/18/22/76/508182276.db2.gz REWIROIQSINHMG-WMLDXEAASA-N 0 3 368.905 2.900 50 0 FFAAHN COc1ccccc1NC(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 ZINC000095386350 508183039 /nfs/dbraw/zinc/18/30/39/508183039.db2.gz RNMAROJBUMRBSB-INIZCTEOSA-N 0 3 371.485 2.865 50 0 FFAAHN O=C(NCCc1nc2cc(F)ccc2[nH]1)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095498099 508189637 /nfs/dbraw/zinc/18/96/37/508189637.db2.gz NNZJGSQWXRWRAF-AWEZNQCLSA-N 0 3 370.428 2.866 50 0 FFAAHN Cc1nc(CC2CCN(C(=O)[C@H]3CCCN(Cc4ccco4)C3)CC2)no1 ZINC000095500821 508190189 /nfs/dbraw/zinc/19/01/89/508190189.db2.gz IUHVKDKFYXSMTC-KRWDZBQOSA-N 0 3 372.469 2.664 50 0 FFAAHN Cc1ncc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)cn1 ZINC000095499938 508190674 /nfs/dbraw/zinc/19/06/74/508190674.db2.gz SVYOWNATZRGYQE-UHFFFAOYSA-N 0 3 370.472 2.951 50 0 FFAAHN Cn1nccc1-c1nc(CC2CCN(C)CC2)nn1Cc1ccccc1 ZINC000095507583 508191781 /nfs/dbraw/zinc/19/17/81/508191781.db2.gz KCDZXRHRHYIGFZ-UHFFFAOYSA-N 0 3 350.470 2.611 50 0 FFAAHN O=C(Nc1ccccc1-n1cccn1)N1CCC(N2CCSCC2)CC1 ZINC000095515433 508193548 /nfs/dbraw/zinc/19/35/48/508193548.db2.gz LMOOMUWSSDFDOH-UHFFFAOYSA-N 0 3 371.510 2.917 50 0 FFAAHN C[C@H](C(=O)N1CCC(NC(=O)c2ccsc2)CC1)N1CCCCCC1 ZINC000095959638 508199364 /nfs/dbraw/zinc/19/93/64/508199364.db2.gz ONCNXAZSZRLVTE-OAHLLOKOSA-N 0 3 363.527 2.733 50 0 FFAAHN C[C@@H](C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1)N1CCN(C)CC1 ZINC000082107899 508226008 /nfs/dbraw/zinc/22/60/08/508226008.db2.gz IFCMWMXGCCRBGQ-AWEZNQCLSA-N 0 3 367.896 2.967 50 0 FFAAHN CCCn1nccc1C(=O)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000082107658 508226357 /nfs/dbraw/zinc/22/63/57/508226357.db2.gz BKHPFEGIBQYZHH-UHFFFAOYSA-N 0 3 352.482 2.608 50 0 FFAAHN CC(=O)c1cccc(NC(=O)N2CC[C@H](OCCN3CCCCC3)C2)c1 ZINC000083862084 508259319 /nfs/dbraw/zinc/25/93/19/508259319.db2.gz PEFAPXMMPSSLFW-IBGZPJMESA-N 0 3 359.470 2.998 50 0 FFAAHN Cc1ccn2c(=O)cc(CN3CCCC[C@H]3CCn3cccn3)nc2c1 ZINC000077301254 508296851 /nfs/dbraw/zinc/29/68/51/508296851.db2.gz HDWQIVXLKWHLLW-SFHVURJKSA-N 0 3 351.454 2.644 50 0 FFAAHN COc1ccccc1-c1ncc(CNc2nc3c(c(=O)[n-]2)CC[NH2+]C3)s1 ZINC000077521114 508327009 /nfs/dbraw/zinc/32/70/09/508327009.db2.gz KVAQYIZBAGORSZ-UHFFFAOYSA-N 0 3 369.450 2.572 50 0 FFAAHN CC(C)N1CCCC[C@H]1C(=O)NCCc1nccn1Cc1ccccc1 ZINC000118765801 508670889 /nfs/dbraw/zinc/67/08/89/508670889.db2.gz PWXRZLAOUXVENH-IBGZPJMESA-N 0 3 354.498 2.853 50 0 FFAAHN CCc1nnc(CN(C)Cc2cc(CN3CCN(C)CC3)c(C)cc2C)o1 ZINC000215396465 509246935 /nfs/dbraw/zinc/24/69/35/509246935.db2.gz HAXGDOVPWYTIHY-UHFFFAOYSA-N 0 3 371.529 2.628 50 0 FFAAHN Cc1nc(CNC(=O)C2CCN(Cc3ccco3)CC2)nc2c1CCCC2 ZINC000219296660 509285414 /nfs/dbraw/zinc/28/54/14/509285414.db2.gz ONROCKMRFCXCPT-UHFFFAOYSA-N 0 3 368.481 2.785 50 0 FFAAHN CN(CC(=O)NCC1(c2ccccc2)CCN(C)CC1)Cc1ccccc1 ZINC000219639657 509289696 /nfs/dbraw/zinc/28/96/96/509289696.db2.gz DBLGILGSNRXRTJ-UHFFFAOYSA-N 0 3 365.521 2.898 50 0 FFAAHN O=C(CSCCN1CCCC1)NCC1(c2ccccc2)CCOCC1 ZINC000219537951 509289903 /nfs/dbraw/zinc/28/99/03/509289903.db2.gz ZIBSSQSFQJCIRX-UHFFFAOYSA-N 0 3 362.539 2.680 50 0 FFAAHN CCO[C@@H]1COCC[C@H]1NC(=O)CC1CCN(Cc2ccccc2)CC1 ZINC000220145860 509296539 /nfs/dbraw/zinc/29/65/39/509296539.db2.gz DJWSHVCBZDTMBW-WOJBJXKFSA-N 0 3 360.498 2.599 50 0 FFAAHN O=C(CN1CC[C@@H](c2ccccc2)C1)N1CCC(Oc2cccnc2)CC1 ZINC000223268884 509333270 /nfs/dbraw/zinc/33/32/70/509333270.db2.gz ZDGQEBXPWPBBNH-LJQANCHMSA-N 0 3 365.477 2.941 50 0 FFAAHN CCN(CC(=O)NCC1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000225670281 509382275 /nfs/dbraw/zinc/38/22/75/509382275.db2.gz DURONFQWRUUTJE-INIZCTEOSA-N 0 3 353.507 2.624 50 0 FFAAHN COc1ccccc1CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192213226 509406670 /nfs/dbraw/zinc/40/66/70/509406670.db2.gz NWHPJKPHSCANJO-HXUWFJFHSA-N 0 3 368.477 2.645 50 0 FFAAHN CCCNC(=O)[C@@H]1CCCN(C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000229737503 509429971 /nfs/dbraw/zinc/42/99/71/509429971.db2.gz ZYFVTLZWKANQIZ-GDBMZVCRSA-N 0 3 358.404 2.977 50 0 FFAAHN Cc1nc2c([nH]1)C[C@@H](C(=O)NC1CCN(Cc3ccccc3)CC1)CC2 ZINC000163977490 509450039 /nfs/dbraw/zinc/45/00/39/509450039.db2.gz DGUHJSAGUQKNPK-KRWDZBQOSA-N 0 3 352.482 2.604 50 0 FFAAHN Cc1nc2c([nH]1)CC[C@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C2 ZINC000163977490 509450043 /nfs/dbraw/zinc/45/00/43/509450043.db2.gz DGUHJSAGUQKNPK-KRWDZBQOSA-N 0 3 352.482 2.604 50 0 FFAAHN COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C[NH3+])CC(C)C)cc1Cl ZINC000237169834 509586204 /nfs/dbraw/zinc/58/62/04/509586204.db2.gz ULGIUMSFXULPTA-VIFPVBQESA-N 0 3 355.287 2.654 50 0 FFAAHN COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C[NH3+])CC(C)C)cc1Cl ZINC000237169765 509586712 /nfs/dbraw/zinc/58/67/12/509586712.db2.gz ULGIUMSFXULPTA-SECBINFHSA-N 0 3 355.287 2.654 50 0 FFAAHN O=C(NCCN1CCC[C@@H](CO)C1)C1(c2ccc(Cl)cc2)CCC1 ZINC000252488997 509842211 /nfs/dbraw/zinc/84/22/11/509842211.db2.gz JDKDHYAKUDZLQT-OAHLLOKOSA-N 0 3 350.890 2.582 50 0 FFAAHN O=c1cc(CN2CCCC[C@@H]2CCc2ccccn2)nc2c(O)cccn12 ZINC000244794716 509871674 /nfs/dbraw/zinc/87/16/74/509871674.db2.gz QSHHLFFBZODCTF-GOSISDBHSA-N 0 3 364.449 2.782 50 0 FFAAHN CN(CCC(=O)NCc1ccccc1F)C[C@@H]1COc2ccccc2O1 ZINC000244852615 509874425 /nfs/dbraw/zinc/87/44/25/509874425.db2.gz UVRWIDVKPQQNHE-MRXNPFEDSA-N 0 3 358.413 2.604 50 0 FFAAHN CN(CCC(=O)Nc1nnc(C2CC2)s1)C[C@@H]1Cc2ccccc2O1 ZINC000244899903 509877726 /nfs/dbraw/zinc/87/77/26/509877726.db2.gz ZSOYYNQDDRRZMI-AWEZNQCLSA-N 0 3 358.467 2.680 50 0 FFAAHN CN(C)CCOc1ccc(CNC(=O)c2c[nH]c(=O)c3ccccc23)cc1 ZINC000253536884 509888418 /nfs/dbraw/zinc/88/84/18/509888418.db2.gz JUXXSBFCBUTKIN-UHFFFAOYSA-N 0 3 365.433 2.811 50 0 FFAAHN CC(C)c1noc([C@@H]2CCCN(Cc3cccnc3)CCC(=O)NCC2)n1 ZINC000257181542 509948227 /nfs/dbraw/zinc/94/82/27/509948227.db2.gz NIKARZYNFKHCBH-QGZVFWFLSA-N 0 3 371.485 2.864 50 0 FFAAHN Cc1cc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c2cnn(C)c2n1 ZINC000193841165 510096046 /nfs/dbraw/zinc/09/60/46/510096046.db2.gz YENIPYRHDQRYCQ-QGZVFWFLSA-N 0 3 363.465 2.529 50 0 FFAAHN CCc1nc(C2CCN([C@H](C)C(=O)N(C)Cc3cccc(F)c3)CC2)n[nH]1 ZINC000190671626 510276346 /nfs/dbraw/zinc/27/63/46/510276346.db2.gz XWAUDMNPBOPXAF-CQSZACIVSA-N 0 3 373.476 2.733 50 0 FFAAHN CCc1n[nH]c(C2CCN([C@H](C)C(=O)N(C)Cc3cccc(F)c3)CC2)n1 ZINC000190671626 510276348 /nfs/dbraw/zinc/27/63/48/510276348.db2.gz XWAUDMNPBOPXAF-CQSZACIVSA-N 0 3 373.476 2.733 50 0 FFAAHN CCc1nnc(C2CCN([C@H](C)C(=O)N(C)Cc3cccc(F)c3)CC2)[nH]1 ZINC000190671626 510276350 /nfs/dbraw/zinc/27/63/50/510276350.db2.gz XWAUDMNPBOPXAF-CQSZACIVSA-N 0 3 373.476 2.733 50 0 FFAAHN COc1cc([C@@H](C)NCCC2(O)CCC2)ccc1S(=O)(=O)C(F)F ZINC000284506979 511750190 /nfs/dbraw/zinc/75/01/90/511750190.db2.gz YDRSEWZLRBDVBO-LLVKDONJSA-N 0 3 363.426 2.647 50 0 FFAAHN C[C@H](O)c1cnc(CN(C)C2CCN(CCc3ccccn3)CC2)s1 ZINC000366019552 511790928 /nfs/dbraw/zinc/79/09/28/511790928.db2.gz GEOLMZMLNUAKQB-HNNXBMFYSA-N 0 3 360.527 2.730 50 0 FFAAHN CN(Cc1cn2ccccc2n1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000284760712 511857159 /nfs/dbraw/zinc/85/71/59/511857159.db2.gz GEYVNUIKYOWGHR-OXJNMPFZSA-N 0 3 352.486 2.583 50 0 FFAAHN COc1ccc([C@H](NC(=O)N2CCCN(C)CC2)c2ccncc2)cc1 ZINC000426377985 513921134 /nfs/dbraw/zinc/92/11/34/513921134.db2.gz LNCIOLUARMTEBM-IBGZPJMESA-N 0 3 354.454 2.527 50 0 FFAAHN CC(=O)c1ccc(-c2cccc(C(=O)NC3CCN(CCO)CC3)c2)s1 ZINC000426395389 513927716 /nfs/dbraw/zinc/92/77/16/513927716.db2.gz OCMIMTNMPDBSJK-UHFFFAOYSA-N 0 3 372.490 2.804 50 0 FFAAHN COc1ccccc1-c1ncc(CN2CC[C@]3(OC)CC[C@H](O)C[C@H]23)cn1 ZINC000426401927 513929082 /nfs/dbraw/zinc/92/90/82/513929082.db2.gz PMULIXRRALJEDA-NBHGPNQESA-N 0 3 369.465 2.657 50 0 FFAAHN COc1cccc(N2CCN(C(=O)NC[C@@H]3CCCN(C)C3)CC2(C)C)c1 ZINC000426489370 513957086 /nfs/dbraw/zinc/95/70/86/513957086.db2.gz MQIRMDRFQIVMCD-KRWDZBQOSA-N 0 3 374.529 2.647 50 0 FFAAHN CS(=O)(=O)c1ccc(-c2ccc3c(c2)OC[C@@H](N2CCCC2)[C@@H]3O)cc1 ZINC000426515535 513965601 /nfs/dbraw/zinc/96/56/01/513965601.db2.gz NHDUQGJWGPXRHF-UYAOXDASSA-N 0 3 373.474 2.647 50 0 FFAAHN CN(C)[C@H]1CCN(C(=O)c2ccc(-c3ccc4nc[nH]c(=O)c4c3)cc2)C1 ZINC000426535070 513972061 /nfs/dbraw/zinc/97/20/61/513972061.db2.gz GOMJBHIGWZOAMA-KRWDZBQOSA-N 0 3 362.433 2.779 50 0 FFAAHN CCc1cc(-c2cccc(C(=O)N3CC[C@H](N(C)C)C3)c2)nc(N(C)C)n1 ZINC000426649706 514004802 /nfs/dbraw/zinc/00/48/02/514004802.db2.gz OZFIGHUOUHZXCT-SFHVURJKSA-N 0 3 367.497 2.548 50 0 FFAAHN Cc1cccnc1NCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000534589000 517955272 /nfs/dbraw/zinc/95/52/72/517955272.db2.gz BYHIBYAAEZQYBM-LJQANCHMSA-N 0 3 367.497 2.718 50 0 FFAAHN O=C(NCC1CCN([C@H]2CCOC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000575607691 518233934 /nfs/dbraw/zinc/23/39/34/518233934.db2.gz OMEGVNABJLCLPN-HNNXBMFYSA-N 0 3 372.387 2.816 50 0 FFAAHN CCOC(=O)c1cc(-c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cc2)c(C)[nH]1 ZINC000584888750 518523895 /nfs/dbraw/zinc/52/38/95/518523895.db2.gz LBPLSXIPLDUEFF-QGZVFWFLSA-N 0 3 369.465 2.943 50 0 FFAAHN O=C(N[C@H]1CCCN(C2CCCC2)C1)N1CCN(c2ccccc2O)CC1 ZINC000584890504 518525117 /nfs/dbraw/zinc/52/51/17/518525117.db2.gz UAKREXDNYGXYSM-KRWDZBQOSA-N 0 3 372.513 2.631 50 0 FFAAHN CN(CCCn1cccn1)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000584901977 518531111 /nfs/dbraw/zinc/53/11/11/518531111.db2.gz SOWHRPNOTKOLGB-UHFFFAOYSA-N 0 3 369.513 2.622 50 0 FFAAHN O=C(Nc1ccnn1-c1ccccc1)N1CCCO[C@H](CN2CCCC2)C1 ZINC000299766848 534426859 /nfs/dbraw/zinc/42/68/59/534426859.db2.gz GIOXJNLMLPSPTI-GOSISDBHSA-N 0 3 369.469 2.591 50 0 FFAAHN CC(=O)Nc1ccc(N2C(=O)C[C@H](N[C@@H]3CCC[C@H](C)[C@H]3C)C2=O)cc1 ZINC000245333832 519721080 /nfs/dbraw/zinc/72/10/80/519721080.db2.gz AZTKASKUVGNYGP-DECQCQTCSA-N 0 3 357.454 2.691 50 0 FFAAHN CC(=O)Nc1ccc(N2C(=O)C[C@H](N[C@@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 ZINC000245333834 519721310 /nfs/dbraw/zinc/72/13/10/519721310.db2.gz AZTKASKUVGNYGP-UHIXZJCNSA-N 0 3 357.454 2.691 50 0 FFAAHN CN(C)CCn1ccnc1C1CCN(C(=O)CCc2ccccc2F)CC1 ZINC000091519056 521821669 /nfs/dbraw/zinc/82/16/69/521821669.db2.gz VDGRKDLATVBTGZ-UHFFFAOYSA-N 0 3 372.488 2.923 50 0 FFAAHN CN1CCN2CCN(Cc3ccccc3OCCc3ccccc3)C[C@H]2C1 ZINC000244899464 523931588 /nfs/dbraw/zinc/93/15/88/523931588.db2.gz ZKJOFEBRLCVCKC-JOCHJYFZSA-N 0 3 365.521 2.740 50 0 FFAAHN COc1cccc(F)c1C(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 ZINC000082086920 526114140 /nfs/dbraw/zinc/11/41/40/526114140.db2.gz UAOIYRZRCDXGCP-UHFFFAOYSA-N 0 3 374.460 2.823 50 0 FFAAHN CSc1nnc(CC2CCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)n1C ZINC000082108056 526227396 /nfs/dbraw/zinc/22/73/96/526227396.db2.gz FJFNSZQDYCLIPV-UHFFFAOYSA-N 0 3 372.498 2.975 50 0 FFAAHN O[C@H](CNC[C@H]1COc2ccccc2O1)CO[C@H]1CCCc2ccccc21 ZINC000241132774 526276830 /nfs/dbraw/zinc/27/68/30/526276830.db2.gz JLOBBNWYXHGHLJ-HBFSDRIKSA-N 0 3 369.461 2.871 50 0 FFAAHN Cc1nc(-c2ccccc2)c(C(=O)NCc2cc3n(n2)CCCNC3)s1 ZINC000082160736 526595668 /nfs/dbraw/zinc/59/56/68/526595668.db2.gz OYMGGABVJGRXIA-UHFFFAOYSA-N 0 3 367.478 2.738 50 0 FFAAHN OCC[C@H]1CN(Cc2cccn2-c2ccccn2)CCN1C1CCCC1 ZINC000019885592 527574096 /nfs/dbraw/zinc/57/40/96/527574096.db2.gz MTDDTEIOSISFOK-FQEVSTJZSA-N 0 3 354.498 2.684 50 0 FFAAHN CCc1cccc(C)c1NC(=O)CCN1CCC[C@@]2(CN(C)C(=O)O2)C1 ZINC000299783360 529155464 /nfs/dbraw/zinc/15/54/64/529155464.db2.gz ZSLIDBGFHUTFNY-HXUWFJFHSA-N 0 3 359.470 2.803 50 0 FFAAHN CN1CCN(c2ncc(CN3CCCCC[C@H]3c3ccncc3)cn2)CC1 ZINC000095453815 536425753 /nfs/dbraw/zinc/42/57/53/536425753.db2.gz QIWXFBFRAJWHAJ-FQEVSTJZSA-N 0 3 366.513 2.741 50 0 FFAAHN CC(=O)Nc1ccc(CNCCNc2nccc(C(F)(F)F)n2)cc1 ZINC000119568990 570517006 /nfs/dbraw/zinc/51/70/06/570517006.db2.gz ISNIMLVWZBUAJD-UHFFFAOYSA-N 0 3 353.348 2.656 50 0 FFAAHN COc1cc(CNC[C@@H]2CN(C)CCO2)c(-c2ccccc2)cc1OC ZINC000105471350 570872897 /nfs/dbraw/zinc/87/28/97/570872897.db2.gz LKHYCZXFLXKWPO-GOSISDBHSA-N 0 3 356.466 2.791 50 0 FFAAHN COCCN1CCC[C@@]2(CCN(Cc3ccc(Cl)c(F)c3)C2)C1=O ZINC000012457055 727814152 /nfs/dbraw/zinc/81/41/52/727814152.db2.gz SCIYSCDUUVRTSD-SFHVURJKSA-N 0 3 354.853 2.940 50 0 FFAAHN CC(C)CCN1CCN(Cc2nc3c(s2)CCCC3)C[C@H]1CCO ZINC000036385580 727931267 /nfs/dbraw/zinc/93/12/67/727931267.db2.gz MWSNPCFFVHDJAF-MRXNPFEDSA-N 0 3 351.560 2.937 50 0 FFAAHN CN(CCc1ccccc1)C1(C(=O)N2CCOCC2)Cc2ccccc2C1 ZINC000012313889 988539248 /nfs/dbraw/zinc/53/92/48/988539248.db2.gz HATWPPBBAMSCSM-UHFFFAOYSA-N 0 3 364.489 2.557 50 0 FFAAHN CCCN1CCOC2(CCN(C(=O)c3ccc4c(c3)CCCO4)CC2)C1 ZINC000822921712 998971738 /nfs/dbraw/zinc/97/17/38/998971738.db2.gz VMEIYNGJNXAUGV-UHFFFAOYSA-N 0 3 358.482 2.729 50 0 FFAAHN CS(=O)(=O)C[C@@H]1CCCN(Cc2cc(CN3CCCCC3)cs2)C1 ZINC000824864217 999273079 /nfs/dbraw/zinc/27/30/79/999273079.db2.gz OKCXWTNINZUEBN-MRXNPFEDSA-N 0 3 370.584 2.991 50 0 FFAAHN O=C(C[C@H]1NC(=O)c2ccccc21)NC1CCN(Cc2cccs2)CC1 ZINC000827811612 999538565 /nfs/dbraw/zinc/53/85/65/999538565.db2.gz QYBRAZBCQHLUAE-GOSISDBHSA-N 0 3 369.490 2.704 50 0 FFAAHN O=C(NCCN1CCCCC1)[C@@]12CCC=C1N(C1CCCC1)C(=O)CC2 ZINC000581822075 999949989 /nfs/dbraw/zinc/94/99/89/999949989.db2.gz PYFFNBKJKFVBRW-OAQYLSRUSA-N 0 3 359.514 2.818 50 0 FFAAHN CN(Cc1cccnc1)C[C@@H]1CCCN(C(=O)c2cn(C)nc2C2CC2)C1 ZINC000585085239 1008303095 /nfs/dbraw/zinc/30/30/95/1008303095.db2.gz DJGRUKBBPXQWEJ-KRWDZBQOSA-N 0 3 367.497 2.677 50 0 FFAAHN CCc1nccn1CCC(=O)NC[C@@H](c1cccnc1)N1CCCCC1 ZINC000952972590 1011017583 /nfs/dbraw/zinc/01/75/83/1011017583.db2.gz QBFKEXYQHHMMBC-SFHVURJKSA-N 0 3 355.486 2.574 50 0 FFAAHN O=C(c1ccc(-c2cccc(F)c2)cc1)N1C[C@H](O)[C@@H](N2CCCC2)C1 ZINC000952974291 1011018850 /nfs/dbraw/zinc/01/88/50/1011018850.db2.gz BLFNCQKYCFEYMW-PMACEKPBSA-N 0 3 354.425 2.774 50 0 FFAAHN COc1ccc(CN[C@H]2CCCN(C(=O)c3ccco3)C2)c(OC)c1OC ZINC000952987685 1011043965 /nfs/dbraw/zinc/04/39/65/1011043965.db2.gz GAOADRFPWCGWHW-HNNXBMFYSA-N 0 3 374.437 2.700 50 0 FFAAHN O=C1CN(C2CCN(Cc3ccco3)CC2)CCN1CCc1ccccc1 ZINC001506414521 1059503874 /nfs/dbraw/zinc/50/38/74/1059503874.db2.gz DQGWOKNNHMEIJZ-UHFFFAOYSA-N 0 3 367.493 2.631 50 0 FFAAHN Cc1ccc([C@H](C)CCN2CCCN(C(=O)Cn3ccnc3C)CC2)o1 ZINC001529174311 1062201949 /nfs/dbraw/zinc/20/19/49/1062201949.db2.gz TVAADZOPCQGQIB-MRXNPFEDSA-N 0 3 358.486 2.821 50 0 FFAAHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1CCc1ccccc1 ZINC000006758892 219767000 /nfs/dbraw/zinc/76/70/00/219767000.db2.gz VHFORPFEKISBNE-HXUWFJFHSA-N 0 3 361.445 2.670 50 0 FFAAHN CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1ccccc1F)C2 ZINC000014538817 220126398 /nfs/dbraw/zinc/12/63/98/220126398.db2.gz BISQBZCHFSKHAK-INIZCTEOSA-N 0 3 370.472 2.925 50 0 FFAAHN COc1cc(CN[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc(OC)c1 ZINC000014964791 220136792 /nfs/dbraw/zinc/13/67/92/220136792.db2.gz ACZFPTIPHYLFLV-KRWDZBQOSA-N 0 3 358.413 2.734 50 0 FFAAHN COc1cc(C[C@H]2CC(CN3CCCCC3)=NO2)c(OC)c2c1OCO2 ZINC000015081409 220147697 /nfs/dbraw/zinc/14/76/97/220147697.db2.gz NKNORRXTTGWRSN-HNNXBMFYSA-N 0 3 362.426 2.606 50 0 FFAAHN c1ccc(C[C@H]2CN(C3CCN(Cc4cccnc4)CC3)CCO2)cc1 ZINC000019335400 220251006 /nfs/dbraw/zinc/25/10/06/220251006.db2.gz WNMMAJRDSIVOAV-QFIPXVFZSA-N 0 3 351.494 2.990 50 0 FFAAHN COc1cc(Cl)c(CN2CCN(CC(C)C)[C@@H](CCO)C2)cc1OC ZINC000019835824 220302463 /nfs/dbraw/zinc/30/24/63/220302463.db2.gz IGIUCFBAEXQMFN-INIZCTEOSA-N 0 3 370.921 2.882 50 0 FFAAHN COc1ccc(Cl)cc1NC(=O)CC1C(=O)N=C2Nc3ccccc3N21 ZINC000020102405 220313363 /nfs/dbraw/zinc/31/33/63/220313363.db2.gz UUQRQBRFXNVQIG-CQSZACIVSA-N 0 3 370.796 2.874 50 0 FFAAHN CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)NCc3ccco3)CC2)[C@H]1O ZINC000020683453 220339484 /nfs/dbraw/zinc/33/94/84/220339484.db2.gz BQNSFPHQFDPGEB-MOPGFXCFSA-N 0 3 369.465 2.500 50 0 FFAAHN Cc1ccc(-c2noc3ncnc(NCCCN4CCN(C)CC4)c32)cc1 ZINC000021715114 220365107 /nfs/dbraw/zinc/36/51/07/220365107.db2.gz ZDDAHHXIQFXUPT-UHFFFAOYSA-N 0 3 366.469 2.643 50 0 FFAAHN CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 ZINC000024986734 220471593 /nfs/dbraw/zinc/47/15/93/220471593.db2.gz VQNMZHKKUNZNML-SFHVURJKSA-N 0 3 367.449 2.830 50 0 FFAAHN Cc1ccc(C(=O)N2CCC[C@H](Cn3cc(C(C)(C)N)nn3)C2)c(C)c1 ZINC000048255073 221002718 /nfs/dbraw/zinc/00/27/18/221002718.db2.gz NKBACLGVQLAHRH-INIZCTEOSA-N 0 3 355.486 2.641 50 0 FFAAHN CC(C)CNC(=O)CNC1(c2cccc(Br)c2)CCOCC1 ZINC000055055545 221057638 /nfs/dbraw/zinc/05/76/38/221057638.db2.gz TZYLDNOKEWLCQO-UHFFFAOYSA-N 0 3 369.303 2.817 50 0 FFAAHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(NC(=O)C2CCC2)cc1 ZINC000055036829 221057223 /nfs/dbraw/zinc/05/72/23/221057223.db2.gz AEXADWQMWQODRK-LJQANCHMSA-N 0 3 373.497 2.608 50 0 FFAAHN O=C(Nc1ccc(-n2cncn2)nc1)C1CCN(Cc2ccccc2)CC1 ZINC000057154950 221084376 /nfs/dbraw/zinc/08/43/76/221084376.db2.gz NHJLUILHBCTAEZ-UHFFFAOYSA-N 0 3 362.437 2.513 50 0 FFAAHN C[C@@H](CNC(=O)c1ccc(OCc2nccn2C)cc1)N1CCC[C@H](C)C1 ZINC000058167921 221101690 /nfs/dbraw/zinc/10/16/90/221101690.db2.gz SPGFBTAWOSMMNA-IRXDYDNUSA-N 0 3 370.497 2.849 50 0 FFAAHN CC(C)C(=O)NC[C@@H]1CCCN(CCCOc2ccc3c(c2)OCO3)C1 ZINC000060361085 221130314 /nfs/dbraw/zinc/13/03/14/221130314.db2.gz LVAJUEXAPFXQBM-INIZCTEOSA-N 0 3 362.470 2.668 50 0 FFAAHN CCn1nnc2cc(C(=O)N(CCN(C)C)Cc3ccc(C)o3)ccc21 ZINC000058298784 221113691 /nfs/dbraw/zinc/11/36/91/221113691.db2.gz KYDQBMYEVSKKCD-UHFFFAOYSA-N 0 3 355.442 2.557 50 0 FFAAHN CCNc1cc(N2CCN(C(=O)Nc3ccccc3OC)CC2)nc(C)n1 ZINC000065364531 221203678 /nfs/dbraw/zinc/20/36/78/221203678.db2.gz ISSPCUVVHYXZIX-UHFFFAOYSA-N 0 3 370.457 2.580 50 0 FFAAHN CN(C)CCn1nnc2cc(-c3noc(-c4ccc(F)cc4)n3)ccc21 ZINC000065254984 221188478 /nfs/dbraw/zinc/18/84/78/221188478.db2.gz ZWLFHXHCBQCOSG-UHFFFAOYSA-N 0 3 352.373 2.849 50 0 FFAAHN CCn1c(CC2CCN(Cc3ccc([C@@H]4CCCCO4)o3)CC2)n[nH]c1=O ZINC000065452436 221219732 /nfs/dbraw/zinc/21/97/32/221219732.db2.gz JGOJQRQKKNKVOD-KRWDZBQOSA-N 0 3 374.485 2.881 50 0 FFAAHN C[C@@H]1CCCN(CCNC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000065564684 221233775 /nfs/dbraw/zinc/23/37/75/221233775.db2.gz XBZZSIYNJFORQU-SJORKVTESA-N 0 3 362.493 2.683 50 0 FFAAHN CC(C)(C)OC(=O)NCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000067360651 221253022 /nfs/dbraw/zinc/25/30/22/221253022.db2.gz IHCYMNMRDZIJFI-QGZVFWFLSA-N 0 3 361.486 2.682 50 0 FFAAHN c1cn(C[C@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCNC4)C2)cn1 ZINC000067724842 221277329 /nfs/dbraw/zinc/27/73/29/221277329.db2.gz JMRUTZCLDNZYMC-QGZVFWFLSA-N 0 3 374.492 2.902 50 0 FFAAHN COCC(C)(C)NC[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067726074 221277828 /nfs/dbraw/zinc/27/78/28/221277828.db2.gz RNADKYIAOLBNMY-NRFANRHFSA-N 0 3 362.514 2.678 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3ccccc3OC)cnn2c1 ZINC000067673847 221267607 /nfs/dbraw/zinc/26/76/07/221267607.db2.gz MJCBIVHOFCLZBZ-UHFFFAOYSA-N 0 3 353.426 2.832 50 0 FFAAHN O=C1N(CCc2ccccc2)CCC[C@@]1(O)CNCc1ccc(F)cc1 ZINC000067695564 221273293 /nfs/dbraw/zinc/27/32/93/221273293.db2.gz QHSAEVBIXUVCMP-OAQYLSRUSA-N 0 3 356.441 2.512 50 0 FFAAHN COc1ccc2[nH]c(CNc3nc(C)nc4c3CCN(C)CC4)cc2c1 ZINC000067847541 221294443 /nfs/dbraw/zinc/29/44/43/221294443.db2.gz XAGXIMVBLCZBIY-UHFFFAOYSA-N 0 3 351.454 2.917 50 0 FFAAHN CC[C@@H]1CN(C(=O)c2coc(COc3cccc4cnccc43)n2)CCN1 ZINC000067881825 221299547 /nfs/dbraw/zinc/29/95/47/221299547.db2.gz KXMHDEHFORKZHM-OAHLLOKOSA-N 0 3 366.421 2.626 50 0 FFAAHN Cn1nc([C@H]2CCCN(CCc3ccccc3)C2)n(-c2ccccc2)c1=O ZINC000067896152 221302115 /nfs/dbraw/zinc/30/21/15/221302115.db2.gz KMEQJDHUKCBECA-IBGZPJMESA-N 0 3 362.477 2.993 50 0 FFAAHN Cc1nccn1[C@H](C)C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072427815 221518464 /nfs/dbraw/zinc/51/84/64/221518464.db2.gz INUVUGGHXYCQCD-OQNUJHGRSA-N 0 3 356.514 2.866 50 0 FFAAHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1ccncc1OCCN(C)C ZINC000332053641 258212032 /nfs/dbraw/zinc/21/20/32/258212032.db2.gz NRLRYWVGPKVKOB-SOLBZPMBSA-N 0 3 360.502 2.885 50 0 FFAAHN O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000091664498 132203029 /nfs/dbraw/zinc/20/30/29/132203029.db2.gz JSXCCNDZZSPTCC-QGZVFWFLSA-N 0 3 371.456 2.980 50 0 FFAAHN Cc1ccc2cc(CO)c(N3CCC([C@@H](C)N4CCOCC4)CC3)nc2c1 ZINC000095353891 132207009 /nfs/dbraw/zinc/20/70/09/132207009.db2.gz QNPYPFWBIYPKLJ-QGZVFWFLSA-N 0 3 369.509 2.973 50 0 FFAAHN c1sc(CN2CCN(c3cnccn3)CC2)cc1CN1CCCCC1 ZINC000215120398 132269952 /nfs/dbraw/zinc/26/99/52/132269952.db2.gz RVDCBWIMSKYCBE-UHFFFAOYSA-N 0 3 357.527 2.846 50 0 FFAAHN COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)C(C)(C)N)cc1 ZINC000091985719 221822164 /nfs/dbraw/zinc/82/21/64/221822164.db2.gz KCQUOTCAZPVWPK-MRXNPFEDSA-N 0 3 356.470 2.748 50 0 FFAAHN COc1ccccc1-n1nc([C@H]2CCOC2)nc1CCN1CCCCC1 ZINC000096132968 222037931 /nfs/dbraw/zinc/03/79/31/222037931.db2.gz FDVHMVLOAHMZLH-INIZCTEOSA-N 0 3 356.470 2.808 50 0 FFAAHN Cc1ccc([C@H](NC(=O)C2CCN(CCO)CC2)c2cccnc2)cc1C ZINC000097675279 222204621 /nfs/dbraw/zinc/20/46/21/222204621.db2.gz KPMIJEBNRKXZLR-NRFANRHFSA-N 0 3 367.493 2.608 50 0 FFAAHN COc1ccc(-c2n[nH]cc2CN2CCC(c3ccnc(N)n3)CC2)cc1 ZINC000097729564 222207215 /nfs/dbraw/zinc/20/72/15/222207215.db2.gz QEKRURUXCLDYQO-UHFFFAOYSA-N 0 3 364.453 2.837 50 0 FFAAHN O=C(CN1CCCCC1=O)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000097772998 222211380 /nfs/dbraw/zinc/21/13/80/222211380.db2.gz RVFPVISXMCCDLL-LJQANCHMSA-N 0 3 357.498 2.732 50 0 FFAAHN Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)NCCN1CCCC[C@@H]1CO ZINC000097785207 222213283 /nfs/dbraw/zinc/21/32/83/222213283.db2.gz SXKVDPMZYKRKKU-QGZVFWFLSA-N 0 3 357.498 2.599 50 0 FFAAHN O[C@H](CN1CCCN(Cc2cccs2)CC1)c1ccc2c(c1)OCO2 ZINC000106107393 222382400 /nfs/dbraw/zinc/38/24/00/222382400.db2.gz OWGFHCFLTHVPTH-QGZVFWFLSA-N 0 3 360.479 2.718 50 0 FFAAHN CCn1c2ccccc2nc1CN1CCN(CCC(C)C)[C@@H](CCO)C1 ZINC000107100317 222390806 /nfs/dbraw/zinc/39/08/06/222390806.db2.gz KIZJTCXRQASHCF-SFHVURJKSA-N 0 3 358.530 2.971 50 0 FFAAHN COc1cc([C@H](C)NC(=O)N(C)CCN2CCCC2)cc(OC)c1OC ZINC000426642919 263649615 /nfs/dbraw/zinc/64/96/15/263649615.db2.gz PFLYFGHEKBNBAC-AWEZNQCLSA-N 0 3 365.474 2.511 50 0 FFAAHN CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C1CCN(Cc2ccccc2)CC1 ZINC000375081736 512153043 /nfs/dbraw/zinc/15/30/43/512153043.db2.gz PHZDTMQBLWHMBC-VQTJNVASSA-N 0 3 352.482 2.647 50 0 FFAAHN Cc1oc2c(c1C(=O)NCCN(C)C)CN(Cc1ccc(C)cc1)CC2 ZINC000065289693 506282552 /nfs/dbraw/zinc/28/25/52/506282552.db2.gz NFDMTIRFKFDDBF-UHFFFAOYSA-N 0 3 355.482 2.746 50 0 FFAAHN Cn1ncc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1-n1cccc1 ZINC000032762633 506292115 /nfs/dbraw/zinc/29/21/15/506292115.db2.gz LJMCOWILPGWXAW-INIZCTEOSA-N 0 3 369.494 2.839 50 0 FFAAHN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)N1CCCC1 ZINC000032824239 506299584 /nfs/dbraw/zinc/29/95/84/506299584.db2.gz BZGAHTUDNPUPLD-PBHICJAKSA-N 0 3 365.905 2.695 50 0 FFAAHN COCCN(Cc1ccc(C)cc1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036094965 506396583 /nfs/dbraw/zinc/39/65/83/506396583.db2.gz SQSXNMYEXUGWEN-LJQANCHMSA-N 0 3 359.466 2.892 50 0 FFAAHN CCN(C[C@H](O)COCC(C)C)C[C@@H]1CC(c2ccc(OC)cc2)=NO1 ZINC000036146200 506400070 /nfs/dbraw/zinc/40/00/70/506400070.db2.gz AOTABTQPJOLIPQ-HKUYNNGSSA-N 0 3 364.486 2.544 50 0 FFAAHN CN1CCN(C(C)(C)CNCc2ccc(Br)cc2F)CC1 ZINC000036669144 506412231 /nfs/dbraw/zinc/41/22/31/506412231.db2.gz BOWZEJVTZQJPCX-UHFFFAOYSA-N 0 3 358.299 2.704 50 0 FFAAHN COc1ccc(CNCCSc2nnnn2-c2ccccc2)c(OC)c1 ZINC000004993782 506413017 /nfs/dbraw/zinc/41/30/17/506413017.db2.gz XPKHVNFPYJDXTC-UHFFFAOYSA-N 0 3 371.466 2.561 50 0 FFAAHN COc1ccc(CNC(=O)c2ccccc2OCCN(C)C)cc1OC ZINC000040157355 506477900 /nfs/dbraw/zinc/47/79/00/506477900.db2.gz OCNVLGHCEMWVML-UHFFFAOYSA-N 0 3 358.438 2.574 50 0 FFAAHN CN(C)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccccc1 ZINC000006542892 506487900 /nfs/dbraw/zinc/48/79/00/506487900.db2.gz HRAXEXKPCYJWMX-DLBZAZTESA-N 0 3 371.506 2.772 50 0 FFAAHN S=C(NCCSc1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000007968941 506606578 /nfs/dbraw/zinc/60/65/78/506606578.db2.gz KZOSXORXDXJJKH-UHFFFAOYSA-N 0 3 358.536 2.870 50 0 FFAAHN COc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000008943041 506674288 /nfs/dbraw/zinc/67/42/88/506674288.db2.gz PQQPKVGPXBLUNV-SFHVURJKSA-N 0 3 364.449 2.914 50 0 FFAAHN CC(C)(CNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21)N1CCCCC1 ZINC000009364101 506694023 /nfs/dbraw/zinc/69/40/23/506694023.db2.gz CTIDNXHWIAHPKI-GOSISDBHSA-N 0 3 370.497 2.602 50 0 FFAAHN C=C1c2ccccc2C(=O)N1CCC(=O)NCc1ccccc1CN(C)C ZINC000010085763 506726730 /nfs/dbraw/zinc/72/67/30/506726730.db2.gz YUYAEXUBZUAKEH-UHFFFAOYSA-N 0 3 363.461 2.881 50 0 FFAAHN NC(=O)[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 ZINC000010268513 506735925 /nfs/dbraw/zinc/73/59/25/506735925.db2.gz QMKBXTORRMXFBM-IBGZPJMESA-N 0 3 351.450 2.629 50 0 FFAAHN CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(C)ccc1C)CC2 ZINC000011783532 506795295 /nfs/dbraw/zinc/79/52/95/506795295.db2.gz DOHQRESMDHGNIW-INIZCTEOSA-N 0 3 369.513 2.616 50 0 FFAAHN COC(=O)c1ccc(CN2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1 ZINC000012192930 506832553 /nfs/dbraw/zinc/83/25/53/506832553.db2.gz VUMNKRBBEMFNJX-INIZCTEOSA-N 0 3 356.422 2.708 50 0 FFAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1C ZINC000021794996 507268025 /nfs/dbraw/zinc/26/80/25/507268025.db2.gz ZDJSEUJWKLHJSV-UHFFFAOYSA-N 0 3 368.485 2.822 50 0 FFAAHN Cc1ccc(OCC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1 ZINC000023016095 507324756 /nfs/dbraw/zinc/32/47/56/507324756.db2.gz QQDZSQBNODIYIB-UHFFFAOYSA-N 0 3 353.466 2.797 50 0 FFAAHN Cc1cc(C)c(CN2CCC[C@H](N3CCOCC3)C2)c(-n2cccn2)c1 ZINC000023358360 507347815 /nfs/dbraw/zinc/34/78/15/507347815.db2.gz QLWPIKPVHCIZOR-IBGZPJMESA-N 0 3 354.498 2.786 50 0 FFAAHN O=C(NCCCn1ccnc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023382028 507349804 /nfs/dbraw/zinc/34/98/04/507349804.db2.gz DHJYXDYXSWICFE-UHFFFAOYSA-N 0 3 360.889 2.955 50 0 FFAAHN O=C(NC1CC1)[C@H](NCC1(N2CCOCC2)CCCCC1)c1ccccc1 ZINC000024519042 507418079 /nfs/dbraw/zinc/41/80/79/507418079.db2.gz QMVWFKDCCFDYDU-HXUWFJFHSA-N 0 3 371.525 2.631 50 0 FFAAHN C[C@@H](NC(=O)CN(Cc1cccnc1)C1CCN(C)CC1)c1ccccc1 ZINC000072122329 507751956 /nfs/dbraw/zinc/75/19/56/507751956.db2.gz KLKRQDRCZWTKMD-GOSISDBHSA-N 0 3 366.509 2.855 50 0 FFAAHN CN(C)S(=O)(=O)CCCN1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000072148599 507757922 /nfs/dbraw/zinc/75/79/22/507757922.db2.gz VWHZZHLOCPVLTP-KRWDZBQOSA-N 0 3 356.507 2.752 50 0 FFAAHN Cc1ccc(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000029159170 507765740 /nfs/dbraw/zinc/76/57/40/507765740.db2.gz MSCNISPMRFMFFH-UHFFFAOYSA-N 0 3 365.521 2.862 50 0 FFAAHN COCCN1CCC[C@@]2(CCN(C(=O)C3(c4ccccc4F)CC3)C2)C1 ZINC000072172606 507770317 /nfs/dbraw/zinc/77/03/17/507770317.db2.gz AUOJAYJPMKBBPZ-HXUWFJFHSA-N 0 3 360.473 2.818 50 0 FFAAHN c1cn(CCCn2ncc3ccccc32)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072430951 507789820 /nfs/dbraw/zinc/78/98/20/507789820.db2.gz SFEICXLNNMRZMV-UHFFFAOYSA-N 0 3 361.453 2.680 50 0 FFAAHN O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000064348317 507791768 /nfs/dbraw/zinc/79/17/68/507791768.db2.gz RJVGCETULLGHSI-LEWJYISDSA-N 0 3 350.462 2.876 50 0 FFAAHN Cc1cc(NC[C@H]2C[C@@H](CO)N(C)[C@H]2c2ccccc2F)n2nccc2n1 ZINC000072440121 507792326 /nfs/dbraw/zinc/79/23/26/507792326.db2.gz CBCSPZVKPSEBTL-QEEYODRMSA-N 0 3 369.444 2.643 50 0 FFAAHN OCCOc1cccc(CN2CCCN(Cc3cccc(F)c3)CC2)c1 ZINC000072454275 507793204 /nfs/dbraw/zinc/79/32/04/507793204.db2.gz KKCKFUDPIHHCPI-UHFFFAOYSA-N 0 3 358.457 2.905 50 0 FFAAHN O=C1CC[C@H]2CN(C/C=C/c3ccco3)CC[C@H]2N1CCc1c[nH]cn1 ZINC000072479312 507797529 /nfs/dbraw/zinc/79/75/29/507797529.db2.gz LCAVMYLYOVFNFE-GAYPVSMBSA-N 0 3 354.454 2.572 50 0 FFAAHN O=C1CC[C@H]2CN(C/C=C/c3ccco3)CC[C@H]2N1CCc1cnc[nH]1 ZINC000072479312 507797531 /nfs/dbraw/zinc/79/75/31/507797531.db2.gz LCAVMYLYOVFNFE-GAYPVSMBSA-N 0 3 354.454 2.572 50 0 FFAAHN O=C1CC2(CN1Cc1cc(F)cc(F)c1)CCN(Cc1cnc[nH]1)CC2 ZINC000091643765 507999720 /nfs/dbraw/zinc/99/97/20/507999720.db2.gz ABXVCBBJMSPOFI-UHFFFAOYSA-N 0 3 360.408 2.703 50 0 FFAAHN Cc1cnc(CN2C[C@]3(CCCN(Cc4ccoc4)C3)CCC2=O)cn1 ZINC000091707197 508004340 /nfs/dbraw/zinc/00/43/40/508004340.db2.gz GUWOHQICMPTPDB-HXUWFJFHSA-N 0 3 354.454 2.783 50 0 FFAAHN CC(=O)c1cn(CC(=O)N2C[C@H](N)[C@@H](c3ccccc3)C2)c2ccccc12 ZINC000091724785 508004712 /nfs/dbraw/zinc/00/47/12/508004712.db2.gz YWYCKFPGSIHRLL-UXHICEINSA-N 0 3 361.445 2.797 50 0 FFAAHN COc1ccc(CN2CC[C@@]3(C2)CCCN(C)C3=O)c(Cl)c1OC ZINC000091770557 508010478 /nfs/dbraw/zinc/01/04/78/508010478.db2.gz XBKMDFOTLXMZGX-GOSISDBHSA-N 0 3 352.862 2.802 50 0 FFAAHN CC(=O)Nc1ccc(CN2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)cc1 ZINC000091908332 508023898 /nfs/dbraw/zinc/02/38/98/508023898.db2.gz DTEWZBMSXFKLHU-WIYYLYMNSA-N 0 3 357.498 2.720 50 0 FFAAHN Cc1c(F)cccc1CN1CCC[C@H](c2nnc(Cn3ccnc3)n2C)C1 ZINC000091915139 508024232 /nfs/dbraw/zinc/02/42/32/508024232.db2.gz GXIHKMXVAQZUQZ-KRWDZBQOSA-N 0 3 368.460 2.887 50 0 FFAAHN C[C@@H]1CN(Cc2cnc(N3CCCC3)s2)CC[C@@]1(O)C1CCOCC1 ZINC000092045728 508037001 /nfs/dbraw/zinc/03/70/01/508037001.db2.gz CKPMSDKNESIDOW-BEFAXECRSA-N 0 3 365.543 2.743 50 0 FFAAHN CCN1CCc2nc[nH]c2C12CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC000092062036 508038375 /nfs/dbraw/zinc/03/83/75/508038375.db2.gz CNVUOWVDVWFDQK-UHFFFAOYSA-N 0 3 368.481 2.550 50 0 FFAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1c(C)noc1C)CC2 ZINC000092062413 508039429 /nfs/dbraw/zinc/03/94/29/508039429.db2.gz RURZGCCKCAQUBB-UHFFFAOYSA-N 0 3 371.485 2.804 50 0 FFAAHN COCCn1ccnc1C1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000092081386 508041726 /nfs/dbraw/zinc/04/17/26/508041726.db2.gz GMQUCVRMJZYDCX-UHFFFAOYSA-N 0 3 358.486 2.930 50 0 FFAAHN O=C(NC[C@H]1OCCc2ccccc21)C1CCN(Cc2ccco2)CC1 ZINC000095384776 508182363 /nfs/dbraw/zinc/18/23/63/508182363.db2.gz JVKNVZUKRHDBPU-HXUWFJFHSA-N 0 3 354.450 2.922 50 0 FFAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 ZINC000095386133 508182777 /nfs/dbraw/zinc/18/27/77/508182777.db2.gz GETSTFOCDOLLCL-GOSISDBHSA-N 0 3 369.513 2.531 50 0 FFAAHN CC(C)c1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)n[nH]1 ZINC000095389573 508183477 /nfs/dbraw/zinc/18/34/77/508183477.db2.gz ALLDLAJCWAQNML-DLBZAZTESA-N 0 3 353.470 2.665 50 0 FFAAHN COCCN1C[C@H]2CC[C@@H]1CN(c1nccc(-c3ccc(C)nc3C)n1)C2 ZINC000095390780 508183701 /nfs/dbraw/zinc/18/37/01/508183701.db2.gz JBZBWPRWOGRARH-QZTJIDSGSA-N 0 3 367.497 2.702 50 0 FFAAHN Cc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000095389161 508183862 /nfs/dbraw/zinc/18/38/62/508183862.db2.gz IRSVIKGEUYZSRX-VQTJNVASSA-N 0 3 352.482 2.705 50 0 FFAAHN Cc1c(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)ccc2cncn21 ZINC000095465208 508187286 /nfs/dbraw/zinc/18/72/86/508187286.db2.gz IBRSYEGAXFTIME-HZPDHXFCSA-N 0 3 370.497 2.604 50 0 FFAAHN Cc1c(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)ccc2cncn21 ZINC000095465209 508187332 /nfs/dbraw/zinc/18/73/32/508187332.db2.gz IBRSYEGAXFTIME-HOTGVXAUSA-N 0 3 370.497 2.604 50 0 FFAAHN O=C(NCCN1CCc2ccccc2C1)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095498494 508189794 /nfs/dbraw/zinc/18/97/94/508189794.db2.gz ITXMSCXQRCIRBS-FQEVSTJZSA-N 0 3 367.493 2.666 50 0 FFAAHN Cc1c[nH]c(C(=O)N(C)CC2CCN(CCc3ccccc3F)CC2)n1 ZINC000095503759 508191067 /nfs/dbraw/zinc/19/10/67/508191067.db2.gz WEHTUADOVYPZBU-UHFFFAOYSA-N 0 3 358.461 2.884 50 0 FFAAHN O=C(NC[C@@H]1CCCN(CCn2cnnc2)C1)c1cccc2ccccc21 ZINC000095503074 508191405 /nfs/dbraw/zinc/19/14/05/508191405.db2.gz MPJBCYVTODIUJP-KRWDZBQOSA-N 0 3 363.465 2.573 50 0 FFAAHN COc1cc(C)ccc1C(=O)N1CCC[C@@H](c2nccn2CCN(C)C)C1 ZINC000095502599 508191550 /nfs/dbraw/zinc/19/15/50/508191550.db2.gz BJXXZLUVLKSNNM-QGZVFWFLSA-N 0 3 370.497 2.782 50 0 FFAAHN Cc1ccc([O-])c(C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)c1 ZINC000095516603 508193129 /nfs/dbraw/zinc/19/31/29/508193129.db2.gz XBKMOVHJELCXQE-UHFFFAOYSA-N 0 3 370.497 2.869 50 0 FFAAHN COc1cccc2ccc(N3CCN(Cc4ccccc4)C[C@H](O)C3)nc21 ZINC000095524262 508195589 /nfs/dbraw/zinc/19/55/89/508195589.db2.gz PUNVEVRJWCOUNL-IBGZPJMESA-N 0 3 363.461 2.927 50 0 FFAAHN Cc1ccccc1[C@@H](C(=O)NC1CCN(Cc2ccco2)CC1)N(C)C ZINC000095531395 508197056 /nfs/dbraw/zinc/19/70/56/508197056.db2.gz DUKNBBUBBCBGKF-FQEVSTJZSA-N 0 3 355.482 2.972 50 0 FFAAHN Cc1ncn(C[C@H](C)NCC(=O)Nc2cccc(Br)c2)c1C ZINC000095995894 508200657 /nfs/dbraw/zinc/20/06/57/508200657.db2.gz ILGCMFHZJCDEDT-NSHDSACASA-N 0 3 365.275 2.879 50 0 FFAAHN Cc1ccc(-c2ncc(CNCCCn3nc4n(c3=O)CCCC4)s2)o1 ZINC000096003680 508202176 /nfs/dbraw/zinc/20/21/76/508202176.db2.gz KSZVSCSIAOBZIJ-UHFFFAOYSA-N 0 3 373.482 2.586 50 0 FFAAHN O=C1CC[C@@]2(CCCN(Cc3ccccc3Cl)C2)CN1CCCO ZINC000082115720 508226372 /nfs/dbraw/zinc/22/63/72/508226372.db2.gz YTECSDZSZUAUJO-LJQANCHMSA-N 0 3 350.890 2.927 50 0 FFAAHN Cc1nccn1CC[C@@H]1CCCCN1Cc1nc2ccccc2[nH]c1=O ZINC000077408022 508312731 /nfs/dbraw/zinc/31/27/31/508312731.db2.gz NOQWHNVGRDHISR-INIZCTEOSA-N 0 3 351.454 2.873 50 0 FFAAHN CCOC(=O)c1coc(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000077407924 508312937 /nfs/dbraw/zinc/31/29/37/508312937.db2.gz FGYKSEMCTLFZJK-UHFFFAOYSA-N 0 3 359.470 2.942 50 0 FFAAHN O=C(N1CCCN(CCCc2ccccc2)CC1)C1(Cn2cccn2)CC1 ZINC000077488095 508322840 /nfs/dbraw/zinc/32/28/40/508322840.db2.gz XQGNIBFEXDAXIY-UHFFFAOYSA-N 0 3 366.509 2.830 50 0 FFAAHN COC(=O)c1cc(CN2CCCC[C@@H]2CCN2CCCC2=O)ccc1O ZINC000077516366 508326610 /nfs/dbraw/zinc/32/66/10/508326610.db2.gz FBOYCWPNNGIJOP-MRXNPFEDSA-N 0 3 360.454 2.546 50 0 FFAAHN Cc1ccccc1CN1CCC(NC(=O)N2CCC([C@@H](C)O)CC2)CC1 ZINC000156036937 509114619 /nfs/dbraw/zinc/11/46/19/509114619.db2.gz IABILJQIQODYLU-QGZVFWFLSA-N 0 3 359.514 2.762 50 0 FFAAHN COCCc1noc([C@H](C)NC(=O)C2(N3CCCCC3)CCCCC2)n1 ZINC000220115254 509295993 /nfs/dbraw/zinc/29/59/93/509295993.db2.gz SRJYHTBDRPHDHH-HNNXBMFYSA-N 0 3 364.490 2.625 50 0 FFAAHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cccc(OC(F)F)c1 ZINC000223211205 509331410 /nfs/dbraw/zinc/33/14/10/509331410.db2.gz CDKVUOXBHAMVKB-INIZCTEOSA-N 0 3 354.397 2.661 50 0 FFAAHN CCN(C[C@@H](O)COCC(C)C)C[C@@H]1CC(c2ccc(OC)cc2)=NO1 ZINC000169678738 509658282 /nfs/dbraw/zinc/65/82/82/509658282.db2.gz AOTABTQPJOLIPQ-MJGOQNOKSA-N 0 3 364.486 2.544 50 0 FFAAHN CCc1ccc([C@@H](CNc2ncnc(-n3cccn3)c2N)N(C)C)cc1 ZINC000170665829 509708728 /nfs/dbraw/zinc/70/87/28/509708728.db2.gz GQSYAOMTFXAGBA-MRXNPFEDSA-N 0 3 351.458 2.522 50 0 FFAAHN Cc1cccc(CN2CCC(NC(=O)c3cn(C(C)(C)C)nn3)CC2)c1 ZINC000239667342 509839067 /nfs/dbraw/zinc/83/90/67/509839067.db2.gz BPQAUMBIUFMAKN-UHFFFAOYSA-N 0 3 355.486 2.736 50 0 FFAAHN Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@H](c1ccnn1C)C(C)C ZINC000252490959 509842463 /nfs/dbraw/zinc/84/24/63/509842463.db2.gz LGHAWRMJYHCUCW-ZDUSSCGKSA-N 0 3 373.423 2.933 50 0 FFAAHN Cc1ccc(CN(C)CC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000244852589 509873587 /nfs/dbraw/zinc/87/35/87/509873587.db2.gz UVGCPSDSHBTTDE-UHFFFAOYSA-N 0 3 366.509 2.603 50 0 FFAAHN CC(C)n1cnnc1CN(C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000244872890 509873682 /nfs/dbraw/zinc/87/36/82/509873682.db2.gz WGHVTBITNZUEFN-LJQANCHMSA-N 0 3 357.502 2.582 50 0 FFAAHN O=C(CN1CCCC[C@@H]1CCn1cccn1)NCCc1ccc(F)cc1 ZINC000244893090 509875621 /nfs/dbraw/zinc/87/56/21/509875621.db2.gz YVMUFVDXXNZIPL-LJQANCHMSA-N 0 3 358.461 2.626 50 0 FFAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC000299764804 511673320 /nfs/dbraw/zinc/67/33/20/511673320.db2.gz LVLYDRDJTGZRMC-QGZVFWFLSA-N 0 3 365.477 2.804 50 0 FFAAHN CCC[C@H](CNC(=O)c1cccc(-c2ccc(C(N)=O)cc2)c1)N(C)C ZINC000426434012 513938511 /nfs/dbraw/zinc/93/85/11/513938511.db2.gz IHIGWZSODKVCSX-LJQANCHMSA-N 0 3 353.466 2.913 50 0 FFAAHN NC(=O)c1ccnc(N2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3)c1 ZINC000426584102 513987703 /nfs/dbraw/zinc/98/77/03/513987703.db2.gz SNTADBJHAOPMMI-NRFANRHFSA-N 0 3 368.456 2.812 50 0 FFAAHN NC(=O)c1cccnc1N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000426651460 514006984 /nfs/dbraw/zinc/00/69/84/514006984.db2.gz YLZSQZLWBGSMLV-NRFANRHFSA-N 0 3 368.456 2.812 50 0 FFAAHN O=C(NCCn1cccc1)N1CCCN(CCCc2ccccc2)CC1 ZINC000439403304 514544343 /nfs/dbraw/zinc/54/43/43/514544343.db2.gz NYNBCCMXOWZYQB-UHFFFAOYSA-N 0 3 354.498 2.838 50 0 FFAAHN CCCOc1ccccc1CNC(=O)N1CCN(c2ccncc2)CC1 ZINC000534577749 517949916 /nfs/dbraw/zinc/94/99/16/517949916.db2.gz XFGRUYUFGJWBNP-UHFFFAOYSA-N 0 3 354.454 2.902 50 0 FFAAHN CN(C)C[C@@]1(CO)CCCN(C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000534589491 517955000 /nfs/dbraw/zinc/95/50/00/517955000.db2.gz HFJULAXQDMSHLX-KRWDZBQOSA-N 0 3 374.312 2.839 50 0 FFAAHN O=C(NCC1CCN([C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000575605751 518233772 /nfs/dbraw/zinc/23/37/72/518233772.db2.gz HFTOBNGRPKGJHU-INIZCTEOSA-N 0 3 367.287 2.680 50 0 FFAAHN O=C(NCC1CCN([C@@H]2CCOC2)CC1)c1cc(-c2ccccc2)on1 ZINC000575606692 518234199 /nfs/dbraw/zinc/23/41/99/518234199.db2.gz LEABDCJPYZZOAH-QGZVFWFLSA-N 0 3 355.438 2.572 50 0 FFAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(CNC(=O)C(C)C)cc1)C2 ZINC000091585830 519864569 /nfs/dbraw/zinc/86/45/69/519864569.db2.gz IGOLICGAZJAWHO-UYAOXDASSA-N 0 3 371.525 2.905 50 0 FFAAHN CCOc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cc1 ZINC000082120117 520971148 /nfs/dbraw/zinc/97/11/48/520971148.db2.gz DFCGSXOWYVDHCB-OAQYLSRUSA-N 0 3 360.498 2.672 50 0 FFAAHN CCNC(=O)COc1ccc(CN(C)CCOc2ccccc2)cc1OC ZINC000089977426 521738449 /nfs/dbraw/zinc/73/84/49/521738449.db2.gz OUFOARXHRILQTF-UHFFFAOYSA-N 0 3 372.465 2.721 50 0 FFAAHN COC(=O)c1cc(CNC(=O)[C@H]2CCCN2C2CCCC2)ccc1OC ZINC000089457364 521851252 /nfs/dbraw/zinc/85/12/52/521851252.db2.gz XVLNDOIMBVGQPI-QGZVFWFLSA-N 0 3 360.454 2.505 50 0 FFAAHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccnc(OCc2ccccc2)c1 ZINC000079098918 524917171 /nfs/dbraw/zinc/91/71/71/524917171.db2.gz QSWHHYJWDPWQHX-BEFAXECRSA-N 0 3 351.450 2.873 50 0 FFAAHN Cc1ccn(CCC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)n1 ZINC000091486605 525601393 /nfs/dbraw/zinc/60/13/93/525601393.db2.gz MDVXZKCJNSUSPX-VQTJNVASSA-N 0 3 352.482 2.705 50 0 FFAAHN CS[C@H](C)CCN1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000082097983 525872756 /nfs/dbraw/zinc/87/27/56/525872756.db2.gz AWTXTHHQZYQXQA-CQSZACIVSA-N 0 3 350.532 2.647 50 0 FFAAHN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2cc3n(n2)CCCNC3)c1 ZINC000082121114 526248934 /nfs/dbraw/zinc/24/89/34/526248934.db2.gz YXTDGAVDOWSLQF-INIZCTEOSA-N 0 3 370.497 2.892 50 0 FFAAHN O=C(c1cc(-c2ccsc2)[nH]n1)N1CCCC[C@@H]1CCN1CCOCC1 ZINC000082121382 526598058 /nfs/dbraw/zinc/59/80/58/526598058.db2.gz FSANNKHTRWACBA-MRXNPFEDSA-N 0 3 374.510 2.855 50 0 FFAAHN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCCC[C@H]1CCn1ccnc1 ZINC000091574124 526654851 /nfs/dbraw/zinc/65/48/51/526654851.db2.gz OFYMBVVYXDRSDY-KRWDZBQOSA-N 0 3 350.426 2.753 50 0 FFAAHN O=C(c1ccncc1)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000019952206 526851413 /nfs/dbraw/zinc/85/14/13/526851413.db2.gz AWNPIEQFQSZQAC-FQEVSTJZSA-N 0 3 350.466 2.851 50 0 FFAAHN O=C1CCC2(CCN(Cc3ccoc3)CC2)CN1CCCn1ccnc1 ZINC000091320597 526964129 /nfs/dbraw/zinc/96/41/29/526964129.db2.gz IXUWUPZFBYQFQK-UHFFFAOYSA-N 0 3 356.470 2.771 50 0 FFAAHN OCCc1cn(CC2CCN(Cc3cc4ccccc4s3)CC2)nn1 ZINC000019839867 527574689 /nfs/dbraw/zinc/57/46/89/527574689.db2.gz RRDSBXSRKIDPBJ-UHFFFAOYSA-N 0 3 356.495 2.940 50 0 FFAAHN CCNc1ccnc(N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)n1 ZINC000091746764 535526584 /nfs/dbraw/zinc/52/65/84/535526584.db2.gz KQKIAJBNLQQMSL-UHFFFAOYSA-N 0 3 369.517 2.641 50 0 FFAAHN O=C(NCCc1nc2ccccc2o1)C1CCN(Cc2ccco2)CC1 ZINC000222535535 568537361 /nfs/dbraw/zinc/53/73/61/568537361.db2.gz QRYLBLUUYSNJAX-UHFFFAOYSA-N 0 3 353.422 2.992 50 0 FFAAHN CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccccc1 ZINC000078769698 571238532 /nfs/dbraw/zinc/23/85/32/571238532.db2.gz CRHKYBPMCRSTHO-SJORKVTESA-N 0 3 362.470 2.965 50 0 FFAAHN O=C(Cc1[nH]nc2ccccc21)N[C@@H]1CCCN(Cc2cccs2)C1 ZINC000670440771 571348513 /nfs/dbraw/zinc/34/85/13/571348513.db2.gz CHVSXGSEPPKGKN-CQSZACIVSA-N 0 3 354.479 2.948 50 0 FFAAHN O=C(CSc1ncccn1)NCCN1CCC[C@H](c2ccccc2)C1 ZINC000670444887 571350418 /nfs/dbraw/zinc/35/04/18/571350418.db2.gz YLDUWDPBLMHPHO-KRWDZBQOSA-N 0 3 356.495 2.565 50 0 FFAAHN CC(=O)N1CCC(NC(=O)CN[C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000053099460 845268142 /nfs/dbraw/zinc/26/81/42/845268142.db2.gz NAHRGILJYMTJMC-IBGZPJMESA-N 0 3 363.889 2.508 50 0 FFAAHN C[C@H](CN1CCc2ccccc2C1)NC(=O)CC1=CSC2=NCCCN12 ZINC000821793946 998761770 /nfs/dbraw/zinc/76/17/70/998761770.db2.gz STNMQESKBIXBDZ-OAHLLOKOSA-N 0 3 370.522 2.589 50 0 FFAAHN COc1ccc(-c2nn3c(nnc3C3CCN(C)CC3)s2)c(OC)c1 ZINC000824576917 999237100 /nfs/dbraw/zinc/23/71/00/999237100.db2.gz CAOPSXJJODIWFU-UHFFFAOYSA-N 0 3 359.455 2.679 50 0 FFAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2cc(C(C)C)nc(N)n2)C1 ZINC000827587186 999504531 /nfs/dbraw/zinc/50/45/31/999504531.db2.gz MURQXESIJVAJKU-MRXNPFEDSA-N 0 3 367.497 2.710 50 0 FFAAHN Cc1ccccc1-n1nc(COc2ccccc2)nc1[C@@H]1C[C@@H](O)CN1 ZINC000828901682 999587273 /nfs/dbraw/zinc/58/72/73/999587273.db2.gz NFVKRNGKKRHBME-WBVHZDCISA-N 0 3 350.422 2.550 50 0 FFAAHN COCCO[C@H]1CN(C2CCN(C(=O)C3CCC3)CC2)C12CCCCC2 ZINC000581802162 999945743 /nfs/dbraw/zinc/94/57/43/999945743.db2.gz GVKSCSVMEYOHPX-IBGZPJMESA-N 0 3 364.530 2.828 50 0 FFAAHN Cc1nn(C)c(N)c1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000952845223 1010975441 /nfs/dbraw/zinc/97/54/41/1010975441.db2.gz LJVILTKRYRLDHS-QGZVFWFLSA-N 0 3 369.513 2.514 50 0 FFAAHN O=c1cc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)[nH]c2ccccc12 ZINC000020295392 1022563750 /nfs/dbraw/zinc/56/37/50/1022563750.db2.gz JQLZRTLLPDYNPJ-IBGZPJMESA-N 0 3 369.509 2.729 50 0 FFAAHN O=C(Nc1ccc2c(c1)CN(CCCn1cccn1)CC2)c1ccncc1 ZINC000020481371 1022583617 /nfs/dbraw/zinc/58/36/17/1022583617.db2.gz IWLBYWXOHZDRNC-UHFFFAOYSA-N 0 3 361.449 2.979 50 0 FFAAHN COc1ccc(F)cc1[C@@H](C(=O)[O-])N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC001506431308 1059517273 /nfs/dbraw/zinc/51/72/73/1059517273.db2.gz HVECAGKAIVHKAP-IBGZPJMESA-N 0 3 373.428 2.876 50 0 FFAAHN CN(C)c1ccc(CN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)cn1 ZINC001529100282 1062160227 /nfs/dbraw/zinc/16/02/27/1062160227.db2.gz PWQFMTFFRWPRIA-NQIIRXRSSA-N 0 3 362.477 2.731 50 0 FFAAHN Cc1cc(C[C@@H]2CN(Cc3cnn(-c4ccc(C)c(C)c4)c3)C[C@@H]2O)n[nH]1 ZINC001529158496 1062194206 /nfs/dbraw/zinc/19/42/06/1062194206.db2.gz DDVPQFQBJOCPPD-NQIIRXRSSA-N 0 3 365.481 2.556 50 0 FFAAHN Cc1cc(C[C@@H]2CN(Cc3cnn(-c4ccc(C)c(C)c4)c3)C[C@@H]2O)[nH]n1 ZINC001529158496 1062194214 /nfs/dbraw/zinc/19/42/14/1062194214.db2.gz DDVPQFQBJOCPPD-NQIIRXRSSA-N 0 3 365.481 2.556 50 0 FFAAHN O=C(c1cccnc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000000860284 219331660 /nfs/dbraw/zinc/33/16/60/219331660.db2.gz LQCQTNQPWAEJAW-UHFFFAOYSA-N 0 3 364.493 2.504 50 0 FFAAHN CN1CCCC(C)(C)[C@@H]1CNC(=O)CCc1nnc(-c2ccccc2)o1 ZINC000225731507 222863986 /nfs/dbraw/zinc/86/39/86/222863986.db2.gz GHJLUYDULUZDMY-INIZCTEOSA-N 0 3 356.470 2.906 50 0 FFAAHN Cc1ccccc1CSCC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000299765427 223086433 /nfs/dbraw/zinc/08/64/33/223086433.db2.gz GPYWBLRJNUEFHG-IBGZPJMESA-N 0 3 362.539 2.988 50 0 FFAAHN CCn1c(C)cc2cc(NC(=O)NCCCN3CCC[C@H](O)C3)ccc21 ZINC000299795617 223102103 /nfs/dbraw/zinc/10/21/03/223102103.db2.gz KRHZBTVZHKOKBK-SFHVURJKSA-N 0 3 358.486 2.938 50 0 FFAAHN CCc1csc(CNC(=O)c2ccc(NC3CCN(C)CC3)nc2)n1 ZINC000011841549 219936695 /nfs/dbraw/zinc/93/66/95/219936695.db2.gz SYQBWURQOCKIES-UHFFFAOYSA-N 0 3 359.499 2.537 50 0 FFAAHN Cc1cc(=O)c(C(=O)NCC(C)(C)CN(C)C)c(CC2CCCC2)n1C ZINC000012332290 219983809 /nfs/dbraw/zinc/98/38/09/219983809.db2.gz LWJNZLMSLMHZOQ-UHFFFAOYSA-N 0 3 361.530 2.744 50 0 FFAAHN O[C@H](CNC[C@H]1COc2ccccc2O1)CO[C@@H]1CCCc2ccccc21 ZINC000012634577 220015643 /nfs/dbraw/zinc/01/56/43/220015643.db2.gz JLOBBNWYXHGHLJ-WSTZPKSXSA-N 0 3 369.461 2.871 50 0 FFAAHN O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1CCCn1cccn1 ZINC000012754203 220024525 /nfs/dbraw/zinc/02/45/25/220024525.db2.gz YJJOZTFLHNXDDY-IBGZPJMESA-N 0 3 364.453 2.562 50 0 FFAAHN CCN(CC)[C@@H](Cn1c(=O)[nH]c2ccsc2c1=O)c1cccc(OC)c1 ZINC000012763514 220026570 /nfs/dbraw/zinc/02/65/70/220026570.db2.gz GZNGPSYUVJEPTQ-INIZCTEOSA-N 0 3 373.478 2.843 50 0 FFAAHN FC(F)(F)c1nnc2ccc(N[C@@H]3CCN(Cc4ccccc4)C3)nn21 ZINC000012866499 220036479 /nfs/dbraw/zinc/03/64/79/220036479.db2.gz SROWBXUMIAWXNU-CYBMUJFWSA-N 0 3 362.359 2.830 50 0 FFAAHN CC(=O)NC[C@H]1CCC2(CCN(Cc3ccc4ncccc4c3)CC2)O1 ZINC000014887822 220135465 /nfs/dbraw/zinc/13/54/65/220135465.db2.gz HKJNULNDAVHHFX-LJQANCHMSA-N 0 3 353.466 2.885 50 0 FFAAHN Cc1n[nH]c(C)c1CNC(=O)C1(N2CCCCC2)Cc2ccccc2C1 ZINC000014977177 220139091 /nfs/dbraw/zinc/13/90/91/220139091.db2.gz HVIJZUSNAKFLAM-UHFFFAOYSA-N 0 3 352.482 2.666 50 0 FFAAHN OC1(Cc2cc(-c3ccccc3)no2)CCN(CCCn2cccn2)CC1 ZINC000014976846 220139208 /nfs/dbraw/zinc/13/92/08/220139208.db2.gz BWVJMTPMEKGIJP-UHFFFAOYSA-N 0 3 366.465 2.998 50 0 FFAAHN CCc1ccc(CN2CCC[C@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1 ZINC000015006844 220140711 /nfs/dbraw/zinc/14/07/11/220140711.db2.gz FGIQLZWTZXPTRQ-IBGZPJMESA-N 0 3 367.497 2.914 50 0 FFAAHN COc1cc([C@@H]2ON=C(CN3CCCCC3)[C@@H]2C)c(OC)c2c1OCO2 ZINC000015082558 220146780 /nfs/dbraw/zinc/14/67/80/220146780.db2.gz MFULGJJVWYIHNX-BLLLJJGKSA-N 0 3 362.426 2.982 50 0 FFAAHN CN(CCNC(=O)Nc1cn(C)c(=O)c2ccccc12)Cc1ccccc1 ZINC000015680512 220160342 /nfs/dbraw/zinc/16/03/42/220160342.db2.gz GSVQRVRUERMTGY-UHFFFAOYSA-N 0 3 364.449 2.792 50 0 FFAAHN CCN1CCC[C@H]1CNC(=O)c1cnn2c1ncc1c2CCCCCC1 ZINC000015723592 220161382 /nfs/dbraw/zinc/16/13/82/220161382.db2.gz OJBAPCHPZPNZPW-INIZCTEOSA-N 0 3 355.486 2.602 50 0 FFAAHN CN(C)CCNC(=O)CSc1ncnc2c1sc1cccc(F)c12 ZINC000021153274 220353209 /nfs/dbraw/zinc/35/32/09/220353209.db2.gz CUNPEXXMVXZUHF-UHFFFAOYSA-N 0 3 364.471 2.754 50 0 FFAAHN COc1ccc([C@H](CNC(=O)CCc2nc3ccccc3[nH]2)N(C)C)cc1 ZINC000022021448 220373694 /nfs/dbraw/zinc/37/36/94/220373694.db2.gz YSXJDURJFBUGSA-IBGZPJMESA-N 0 3 366.465 2.923 50 0 FFAAHN Fc1ccc(OCc2noc(CN3CCC[C@@H](N4CCCC4)C3)n2)cc1 ZINC000048325523 221007679 /nfs/dbraw/zinc/00/76/79/221007679.db2.gz RURCSVHCOWWQFP-MRXNPFEDSA-N 0 3 360.433 2.848 50 0 FFAAHN O=C(c1ccco1)N1CCC(NCc2cccc3c2OCCCO3)CC1 ZINC000048710889 221014790 /nfs/dbraw/zinc/01/47/90/221014790.db2.gz PEZYZIAMESCDGB-UHFFFAOYSA-N 0 3 356.422 2.835 50 0 FFAAHN COC(=O)C1=C(CN2CCC[C@H](C)C2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318302 221035073 /nfs/dbraw/zinc/03/50/73/221035073.db2.gz NREHERHYQVONSZ-KSSFIOAISA-N 0 3 357.454 2.508 50 0 FFAAHN Cc1ccsc1CN(CCN(C)C)C(=O)c1ccc2c(c1)nnn2C ZINC000055109280 221059154 /nfs/dbraw/zinc/05/91/54/221059154.db2.gz PLENZMPQNHWJMI-UHFFFAOYSA-N 0 3 357.483 2.542 50 0 FFAAHN CCC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000056168841 221078459 /nfs/dbraw/zinc/07/84/59/221078459.db2.gz XKDSAAUISNBUBV-WDSOQIARSA-N 0 3 357.498 2.587 50 0 FFAAHN O=C(NCc1ccc2c(c1)OCCCO2)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000055358255 221067257 /nfs/dbraw/zinc/06/72/57/221067257.db2.gz DHDKKHASFZUDDI-QGZVFWFLSA-N 0 3 370.449 2.969 50 0 FFAAHN COc1ccccc1/C=C/CN1CCC(n2cc(CCCO)nn2)CC1 ZINC000055369145 221067805 /nfs/dbraw/zinc/06/78/05/221067805.db2.gz PLMDQOZIILWLIT-QPJJXVBHSA-N 0 3 356.470 2.562 50 0 FFAAHN COc1ccc(CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cn1 ZINC000058203211 221106368 /nfs/dbraw/zinc/10/63/68/221106368.db2.gz CAQSSERTFGKURV-INIZCTEOSA-N 0 3 374.510 2.863 50 0 FFAAHN CC(C)C(=O)Nc1nc(CC(=O)NC[C@H](C)N2CCC(C)CC2)cs1 ZINC000058245194 221110132 /nfs/dbraw/zinc/11/01/32/221110132.db2.gz XLEYYPPKAFNSLX-AWEZNQCLSA-N 0 3 366.531 2.517 50 0 FFAAHN Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCCN1CCCC[C@H]1C ZINC000065329711 221200521 /nfs/dbraw/zinc/20/05/21/221200521.db2.gz QJKZXRWZAHYKBS-CQSZACIVSA-N 0 3 374.485 2.558 50 0 FFAAHN C[C@@H](Cc1ccccn1)N(C)Cc1cccc(C(=O)Nc2ncn(C)n2)c1 ZINC000065425216 221217711 /nfs/dbraw/zinc/21/77/11/221217711.db2.gz LECXNOZNABJQDK-HNNXBMFYSA-N 0 3 364.453 2.525 50 0 FFAAHN O=c1c2c(ncn1CCOc1ccccc1Cl)sc1c2CCNC1 ZINC000065468907 221222889 /nfs/dbraw/zinc/22/28/89/221222889.db2.gz XCMTZZJREPTOFU-UHFFFAOYSA-N 0 3 361.854 2.836 50 0 FFAAHN CC(C)c1ccc(NC(=O)CCN2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000065526935 221229674 /nfs/dbraw/zinc/22/96/74/221229674.db2.gz KAESTLIXYXRLCG-FQEVSTJZSA-N 0 3 359.514 2.935 50 0 FFAAHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Cc1csc(-c2cccnc2)n1 ZINC000065674688 221235600 /nfs/dbraw/zinc/23/56/00/221235600.db2.gz MUFNKSOPHQVVDX-CABCVRRESA-N 0 3 358.511 2.984 50 0 FFAAHN COC(=O)c1ccc(OCCN2c3ccccc3N3CCCN=C23)cc1 ZINC000067350899 221252651 /nfs/dbraw/zinc/25/26/51/221252651.db2.gz ZUJLLGZTXOHNAI-UHFFFAOYSA-N 0 3 351.406 2.938 50 0 FFAAHN CC[C@H](NC(=O)c1cnn2cc(CN(CC)CC)cnc12)c1cccnc1 ZINC000067457932 221254494 /nfs/dbraw/zinc/25/44/94/221254494.db2.gz IKCWDVLCPZGLNJ-SFHVURJKSA-N 0 3 366.469 2.847 50 0 FFAAHN Cc1nc(CN)cc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000067446559 221254790 /nfs/dbraw/zinc/25/47/90/221254790.db2.gz RWKZSHSPDFWEIR-UHFFFAOYSA-N 0 3 366.387 2.751 50 0 FFAAHN C[C@@H]1CN(C[C@@H]2CCCN2Cc2cc(F)cc3c2OCOC3)C[C@@H](C)O1 ZINC000066377901 221245413 /nfs/dbraw/zinc/24/54/13/221245413.db2.gz CQWAJYFDXVJSGK-CLCXKQKWSA-N 0 3 364.461 2.766 50 0 FFAAHN CC[C@@H](C)c1ccccc1OCC(=O)N1CCC2(CC1)CN(C)CCN2C ZINC000067840674 221292565 /nfs/dbraw/zinc/29/25/65/221292565.db2.gz DYYOJWHKOUUBBM-GOSISDBHSA-N 0 3 373.541 2.817 50 0 FFAAHN CN(C)[C@H]1CCN(C(=O)c2coc(COc3cccc4cnccc43)n2)C1 ZINC000067842772 221292572 /nfs/dbraw/zinc/29/25/72/221292572.db2.gz JISKFIJSEWAJTR-HNNXBMFYSA-N 0 3 366.421 2.578 50 0 FFAAHN O[C@@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067866824 221296530 /nfs/dbraw/zinc/29/65/30/221296530.db2.gz NZHCBDHHGMSGCV-DOTOQJQBSA-N 0 3 367.405 2.749 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)N[C@@H]3C[C@H]3c3ccccc3)cnn2c1 ZINC000067975040 221311613 /nfs/dbraw/zinc/31/16/13/221311613.db2.gz FFEMYYYYBQYYEF-PKOBYXMFSA-N 0 3 363.465 2.857 50 0 FFAAHN CCN1C[C@H](CN(C)Cc2cnc3c(-c4ccccc4)cnn3c2)CC1=O ZINC000067954794 221308293 /nfs/dbraw/zinc/30/82/93/221308293.db2.gz GTBDDLUKJVXDLC-INIZCTEOSA-N 0 3 363.465 2.697 50 0 FFAAHN CCCn1nccc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071749443 221361062 /nfs/dbraw/zinc/36/10/62/221361062.db2.gz FCZVNJSHYKCICG-HMXCVIKNSA-N 0 3 364.493 2.996 50 0 FFAAHN O=C(c1n[nH]cc1Cl)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071753770 221363041 /nfs/dbraw/zinc/36/30/41/221363041.db2.gz WWNDIGPSASRLOA-BMGDILEWSA-N 0 3 356.857 2.766 50 0 FFAAHN CCc1[nH]nc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1C ZINC000071760755 221367766 /nfs/dbraw/zinc/36/77/66/221367766.db2.gz GJNWLKPCDKBMIH-IOMROCGXSA-N 0 3 364.493 2.983 50 0 FFAAHN Cc1ncc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c(C)n1 ZINC000071763795 221370434 /nfs/dbraw/zinc/37/04/34/221370434.db2.gz NVMFGSZRGZHDAR-PWRODBHTSA-N 0 3 362.477 2.796 50 0 FFAAHN C[C@@H](NC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2)C1=CCN(C)CC1 ZINC000332884873 258242975 /nfs/dbraw/zinc/24/29/75/258242975.db2.gz PYUGEBZLDLALPF-WBVHZDCISA-N 0 3 372.517 2.501 50 0 FFAAHN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(N3CCCCC3)cc1)C2 ZINC000092081135 132206033 /nfs/dbraw/zinc/20/60/33/132206033.db2.gz MNKDDGYGSORFAK-WIYYLYMNSA-N 0 3 371.525 2.860 50 0 FFAAHN Cc1cccc(N2CCN(CCC(=O)N(C)C3CCSCC3)CC2)c1 ZINC000095369870 132208621 /nfs/dbraw/zinc/20/86/21/132208621.db2.gz FWDGCUVZUWADLQ-UHFFFAOYSA-N 0 3 361.555 2.861 50 0 FFAAHN CC(C)c1cncnc1N1CCN(C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000107403832 132241540 /nfs/dbraw/zinc/24/15/40/132241540.db2.gz APUMXNBEAUWSSU-OAQYLSRUSA-N 0 3 371.529 2.513 50 0 FFAAHN CCCCNCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000002643611 132383807 /nfs/dbraw/zinc/38/38/07/132383807.db2.gz VZABCNVQUXVWBL-UHFFFAOYSA-N 0 3 359.392 2.870 50 0 FFAAHN Cc1cc2ncn(C[C@H](O)CN3CCN(c4ccccc4)CC3)c2cc1C ZINC000051086292 136124095 /nfs/dbraw/zinc/12/40/95/136124095.db2.gz MHYKRLFXGMHIGZ-HXUWFJFHSA-N 0 3 364.493 2.836 50 0 FFAAHN Cc1cccc2cc(CO)c(N3CCN(C4CCCC4)[C@H](CCO)C3)nc12 ZINC000072425577 136146364 /nfs/dbraw/zinc/14/63/64/136146364.db2.gz FHYYTMMKFKMMND-HXUWFJFHSA-N 0 3 369.509 2.851 50 0 FFAAHN C[C@H]1CCCCN1C1CN(C(=O)Nc2ccccc2CN2CCOCC2)C1 ZINC000096138960 222042435 /nfs/dbraw/zinc/04/24/35/222042435.db2.gz GLOHPFWGLQVXRR-KRWDZBQOSA-N 0 3 372.513 2.609 50 0 FFAAHN Cc1cc2nc(C(=O)NCCN3CC[C@H](c4ccccc4)C3)cc(C)n2n1 ZINC000097301262 222172825 /nfs/dbraw/zinc/17/28/25/222172825.db2.gz AFEBUEKEYDACIH-SFHVURJKSA-N 0 3 363.465 2.565 50 0 FFAAHN COc1cc2ncc(CN[C@H](CO)Cc3ccc(O)cc3)cc2c(OC)c1 ZINC000097377089 222177543 /nfs/dbraw/zinc/17/75/43/222177543.db2.gz KVSPUMSEHWASDW-INIZCTEOSA-N 0 3 368.433 2.651 50 0 FFAAHN Cc1cc(C)n(Cc2ccc(NC(=O)N3C[C@@H]4CC[C@H]3CNC4)cc2)n1 ZINC000097468583 222182642 /nfs/dbraw/zinc/18/26/42/222182642.db2.gz MUECFGPRSJTFJZ-MJGOQNOKSA-N 0 3 353.470 2.764 50 0 FFAAHN C[C@H](CNC(=O)Nc1cccc(CN2CCOC2=O)c1)N1CCC[C@@H](C)C1 ZINC000106085428 222381839 /nfs/dbraw/zinc/38/18/39/222381839.db2.gz FRNFXJMWMSVIDH-HZPDHXFCSA-N 0 3 374.485 2.881 50 0 FFAAHN c1ccc(OCc2cccnc2)c(CNC[C@H]2CN(C3CC3)CCO2)c1 ZINC000106380644 222385988 /nfs/dbraw/zinc/38/59/88/222385988.db2.gz CXCKFJATNIIEBN-FQEVSTJZSA-N 0 3 353.466 2.613 50 0 FFAAHN Cc1ccc(Cl)c(CN2CCN(C)[C@]3(C2)CCC(=O)N(C)CC3)c1F ZINC000107399748 222394984 /nfs/dbraw/zinc/39/49/84/222394984.db2.gz PZHUCKXEFMYQHO-LJQANCHMSA-N 0 3 367.896 2.916 50 0 FFAAHN COCCN(CCOC)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000005602866 263342147 /nfs/dbraw/zinc/34/21/47/263342147.db2.gz UMHYOFBMKWFGJK-OAQYLSRUSA-N 0 3 373.493 2.748 50 0 FFAAHN CCOc1ccc(N2C(=O)C[C@H](NCCCc3ccccc3)C2=O)cc1 ZINC000002319247 506275501 /nfs/dbraw/zinc/27/55/01/506275501.db2.gz ZLKHJQBLTAJQQO-IBGZPJMESA-N 0 3 352.434 2.940 50 0 FFAAHN CCN1C[C@@H](CN(C)C[C@@H](O)COc2ccccc2F)Oc2ccccc21 ZINC000032814662 506298973 /nfs/dbraw/zinc/29/89/73/506298973.db2.gz CCRZBXDKCQCKKJ-IAGOWNOFSA-N 0 3 374.456 2.785 50 0 FFAAHN C[C@H]1CCCCN1CCNC(=O)c1cc(=O)n2c3ccccc3nc2s1 ZINC000033008856 506324583 /nfs/dbraw/zinc/32/45/83/506324583.db2.gz YASIUVLBQXMGFQ-ZDUSSCGKSA-N 0 3 370.478 2.513 50 0 FFAAHN CCOc1ccc(N2C(=O)C[C@H](NCCc3cccc(F)c3)C2=O)cc1 ZINC000003864317 506350034 /nfs/dbraw/zinc/35/00/34/506350034.db2.gz MNSBLJMLIGRDSJ-SFHVURJKSA-N 0 3 356.397 2.689 50 0 FFAAHN CN(C)CCNC(=O)[C@@H]1CCN(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000034678498 506367882 /nfs/dbraw/zinc/36/78/82/506367882.db2.gz KVMHLSQDDNBBPT-IBGZPJMESA-N 0 3 367.449 2.510 50 0 FFAAHN CCOc1cc(CNCCSc2nnnn2C)cc(Cl)c1OCC ZINC000004488492 506377353 /nfs/dbraw/zinc/37/73/53/506377353.db2.gz GILQMTRDFPSBRO-UHFFFAOYSA-N 0 3 371.894 2.543 50 0 FFAAHN COCCCN(Cc1ccc(OC)cc1)C[C@@H](O)COCc1ccco1 ZINC000036095211 506396521 /nfs/dbraw/zinc/39/65/21/506396521.db2.gz CFJUFPRLXYJXBX-GOSISDBHSA-N 0 3 363.454 2.704 50 0 FFAAHN CCCn1ncc2c1nc(C1CC1)cc2C(=O)N(C)C1CCN(C)CC1 ZINC000036616788 506408900 /nfs/dbraw/zinc/40/89/00/506408900.db2.gz VCZRYLARDIAEOQ-UHFFFAOYSA-N 0 3 355.486 2.885 50 0 FFAAHN CCOc1ccccc1CNCCSc1nnnn1-c1ccccc1 ZINC000004993775 506413134 /nfs/dbraw/zinc/41/31/34/506413134.db2.gz OCOYCIVUUGTPJD-UHFFFAOYSA-N 0 3 355.467 2.943 50 0 FFAAHN COc1cc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)cc(OC)c1 ZINC000039379664 506448951 /nfs/dbraw/zinc/44/89/51/506448951.db2.gz IJQVASIHVDLMAO-LJQANCHMSA-N 0 3 362.514 2.905 50 0 FFAAHN CC[C@H](NC(=O)CN1CCCN(C)CC1)c1ccc(Br)cc1 ZINC000040009429 506457655 /nfs/dbraw/zinc/45/76/55/506457655.db2.gz BHGQUKWSUDVEEV-INIZCTEOSA-N 0 3 368.319 2.654 50 0 FFAAHN COc1cccc([C@H](CNc2ncnc3c2cnn3C)N2CCCC2)c1 ZINC000040034712 506459257 /nfs/dbraw/zinc/45/92/57/506459257.db2.gz ITTDPGPXIZWMOQ-KRWDZBQOSA-N 0 3 352.442 2.621 50 0 FFAAHN CSc1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(C)n1 ZINC000006938006 506518886 /nfs/dbraw/zinc/51/88/86/506518886.db2.gz LTZFFIIMBZOUHW-UHFFFAOYSA-N 0 3 356.495 2.901 50 0 FFAAHN COc1ccccc1[C@H](CNc1nnnn1-c1ccccc1)N1CCCC1 ZINC000008726286 506663423 /nfs/dbraw/zinc/66/34/23/506663423.db2.gz RORLHQPXXMZBGA-SFHVURJKSA-N 0 3 364.453 2.920 50 0 FFAAHN CC(C)(C)NCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000009049534 506679899 /nfs/dbraw/zinc/67/98/99/506679899.db2.gz NDFNPJFUEZSKEV-UHFFFAOYSA-N 0 3 369.421 2.994 50 0 FFAAHN CC(C)(CNC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21)N1CCCCC1 ZINC000009364102 506693624 /nfs/dbraw/zinc/69/36/24/506693624.db2.gz CTIDNXHWIAHPKI-SFHVURJKSA-N 0 3 370.497 2.602 50 0 FFAAHN Cc1cccc(CN2CCC[C@]3(CCN(C(=O)CCN4CCCO4)C3)C2)c1 ZINC000011717884 506791453 /nfs/dbraw/zinc/79/14/53/506791453.db2.gz PGJKTKIKHRPULW-QFIPXVFZSA-N 0 3 371.525 2.837 50 0 FFAAHN CN(C)c1cc(N2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)ncn1 ZINC000012436317 506863085 /nfs/dbraw/zinc/86/30/85/506863085.db2.gz HJXYJPBKKBHHGE-IBGZPJMESA-N 0 3 366.513 2.676 50 0 FFAAHN COc1ncc(CN2CC[C@]3(C2)CCCN(CC2CCCCC2)C3=O)cn1 ZINC000014955550 507006985 /nfs/dbraw/zinc/00/69/85/507006985.db2.gz NFXCLDFBXVFVNZ-NRFANRHFSA-N 0 3 372.513 2.880 50 0 FFAAHN CC(=O)NCc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000023739609 507370328 /nfs/dbraw/zinc/37/03/28/507370328.db2.gz JZZCINQVWNNJKT-OAQYLSRUSA-N 0 3 365.477 2.890 50 0 FFAAHN CCN1CCN(C2(CNC(=O)COc3ccccc3)CCCCC2)CC1 ZINC000028404246 507723315 /nfs/dbraw/zinc/72/33/15/507723315.db2.gz HPOQATFTNGDNNV-UHFFFAOYSA-N 0 3 359.514 2.522 50 0 FFAAHN COCCc1noc([C@@H]2CCCN(Cc3ccc(-c4cc[nH]n4)o3)C2)n1 ZINC000072159306 507764447 /nfs/dbraw/zinc/76/44/47/507764447.db2.gz NPXFBRIZMIHVRN-CYBMUJFWSA-N 0 3 357.414 2.621 50 0 FFAAHN Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000072278352 507772796 /nfs/dbraw/zinc/77/27/96/507772796.db2.gz HEDDQHBHQKNXRA-HOTGVXAUSA-N 0 3 368.905 2.985 50 0 FFAAHN COc1cc(Cl)cc(C(=O)N2CCC([C@H](C)N3CCOCC3)CC2)c1 ZINC000072407421 507783936 /nfs/dbraw/zinc/78/39/36/507783936.db2.gz ZLNKUDMKJFITRF-AWEZNQCLSA-N 0 3 366.889 2.922 50 0 FFAAHN OCCOc1ccccc1CN1CCN([C@@H]2CCc3ccccc3C2)CC1 ZINC000072410633 507785387 /nfs/dbraw/zinc/78/53/87/507785387.db2.gz GJIOWSDSWMNLIN-JOCHJYFZSA-N 0 3 366.505 2.733 50 0 FFAAHN O=C(c1cc(C2CC2)n[nH]1)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000072419243 507787048 /nfs/dbraw/zinc/78/70/48/507787048.db2.gz UHYSOMIJLVVAHO-UHFFFAOYSA-N 0 3 350.466 2.602 50 0 FFAAHN O=c1n2ccccc2nn1CCN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029832759 507792421 /nfs/dbraw/zinc/79/24/21/507792421.db2.gz QZJKMGOZCBFWSY-OAHLLOKOSA-N 0 3 363.421 2.517 50 0 FFAAHN Cc1ccccc1[C@@H](Cn1cnc2cn(C)nc2c1=O)N1CCC(C)CC1 ZINC000072476941 507796451 /nfs/dbraw/zinc/79/64/51/507796451.db2.gz BUPXBSPIJDGMGN-LJQANCHMSA-N 0 3 365.481 2.912 50 0 FFAAHN Cc1[nH]c2c(cccc2CN2CCN(C)[C@]3(C2)CCC(=O)N(C)CC3)c1C ZINC000108007442 507875004 /nfs/dbraw/zinc/87/50/04/507875004.db2.gz UWTFPVXLJWAXSS-JOCHJYFZSA-N 0 3 368.525 2.913 50 0 FFAAHN Cc1cc(C(=O)N2C[C@H](N)[C@@H](c3ccccc3)C2)cc2sc(N)nc21 ZINC000091426764 507985046 /nfs/dbraw/zinc/98/50/46/507985046.db2.gz ZVGSOGFIOFCYGK-CABCVRRESA-N 0 3 352.463 2.754 50 0 FFAAHN Cn1c(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)cc2ccccc21 ZINC000091650797 507999712 /nfs/dbraw/zinc/99/97/12/507999712.db2.gz NMNCXNFBXUJECD-UHFFFAOYSA-N 0 3 369.509 2.765 50 0 FFAAHN CCCn1ncc(C(=O)N[C@@H]2CCN(C)C[C@@H]2Cc2ccccc2)c1C ZINC000091663692 508000705 /nfs/dbraw/zinc/00/07/05/508000705.db2.gz LZIPDICVPPIKRP-AZUAARDMSA-N 0 3 354.498 2.894 50 0 FFAAHN CC(C)(N)C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000091690249 508002736 /nfs/dbraw/zinc/00/27/36/508002736.db2.gz LWUZQLBVIUUZCC-UHFFFAOYSA-N 0 3 373.447 2.936 50 0 FFAAHN Cn1cccc1-c1cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)[nH]n1 ZINC000091724700 508005119 /nfs/dbraw/zinc/00/51/19/508005119.db2.gz PYKTUGZAJKFYGZ-LJQANCHMSA-N 0 3 363.465 2.982 50 0 FFAAHN O=C(c1c[nH]c(=O)c(Cl)c1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000091736980 508006243 /nfs/dbraw/zinc/00/62/43/508006243.db2.gz ORPRAAJDDNKSGO-NVXWUHKLSA-N 0 3 371.868 2.765 50 0 FFAAHN COc1ccc(F)c(CN2C[C@H]3CC[C@@H]2CN(Cc2[nH]cnc2C)C3)c1 ZINC000091768903 508010526 /nfs/dbraw/zinc/01/05/26/508010526.db2.gz YMOXYNBUELBXGW-DOTOQJQBSA-N 0 3 358.461 2.962 50 0 FFAAHN CN1CCc2nc[nH]c2C12CCN(Cc1nc3c(s1)CCCC3)CC2 ZINC000091793518 508013724 /nfs/dbraw/zinc/01/37/24/508013724.db2.gz JSYUNQWNANRQNN-UHFFFAOYSA-N 0 3 357.527 2.724 50 0 FFAAHN Cc1noc(C)c1C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2CC(C)C ZINC000091793878 508013835 /nfs/dbraw/zinc/01/38/35/508013835.db2.gz YJCIYKZKTLKDMN-UHFFFAOYSA-N 0 3 371.485 2.660 50 0 FFAAHN O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(CCOCc1ccccc1)C2 ZINC000091973738 508029031 /nfs/dbraw/zinc/02/90/31/508029031.db2.gz ZKPRCELSOVQCEV-WOJBJXKFSA-N 0 3 365.477 2.835 50 0 FFAAHN CCCn1ccnc1CN1C[C@H]2CC[C@@H]1CN(Cc1c(C)noc1C)C2 ZINC000092045903 508037220 /nfs/dbraw/zinc/03/72/20/508037220.db2.gz UWMXWPZPNDXRIU-ZWKOTPCHSA-N 0 3 357.502 2.994 50 0 FFAAHN C[C@@H]1CN(CCCCNC(=O)Cc2cccc3cccnc32)C[C@H](C)O1 ZINC000075107558 508083366 /nfs/dbraw/zinc/08/33/66/508083366.db2.gz OCJDUXNOLXZIHB-CALCHBBNSA-N 0 3 355.482 2.783 50 0 FFAAHN CCOC(=O)c1c(C)[nH]c(CCC(=O)NCCN2CCCC[C@H]2C)c1C ZINC000075352850 508101053 /nfs/dbraw/zinc/10/10/53/508101053.db2.gz TUYSPDBARBMTOA-CQSZACIVSA-N 0 3 363.502 2.731 50 0 FFAAHN Cc1cnn(CC(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)c1 ZINC000095370701 508178115 /nfs/dbraw/zinc/17/81/15/508178115.db2.gz YDHXHNWTWJAHIS-LEWJYISDSA-N 0 3 366.509 2.747 50 0 FFAAHN Cn1ccnc1SCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000095381026 508181245 /nfs/dbraw/zinc/18/12/45/508181245.db2.gz QLEDXMOUSFBRBG-UHFFFAOYSA-N 0 3 358.511 2.928 50 0 FFAAHN Cc1cc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)ccc1F ZINC000095503340 508191320 /nfs/dbraw/zinc/19/13/20/508191320.db2.gz YZTAFTFQSOMBSD-QGZVFWFLSA-N 0 3 358.461 2.912 50 0 FFAAHN COc1cccc(NC(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)c1 ZINC000095505172 508192109 /nfs/dbraw/zinc/19/21/09/508192109.db2.gz QYORRNIAWXZTKE-MRXNPFEDSA-N 0 3 371.485 2.865 50 0 FFAAHN COCc1cc(CNC(=O)Nc2ccccc2CN2CCCCC2)[nH]n1 ZINC000095519120 508194028 /nfs/dbraw/zinc/19/40/28/508194028.db2.gz AJAVWQZSAQXIGB-UHFFFAOYSA-N 0 3 357.458 2.864 50 0 FFAAHN O=C(NCCc1nc2c(s1)CCC2)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095527401 508196199 /nfs/dbraw/zinc/19/61/99/508196199.db2.gz IAMJKXJRKWSTDY-AWEZNQCLSA-N 0 3 359.495 2.796 50 0 FFAAHN COC(=O)N1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000095529314 508197192 /nfs/dbraw/zinc/19/71/92/508197192.db2.gz RNJSFBPLLYPOJK-LJQANCHMSA-N 0 3 373.497 2.636 50 0 FFAAHN Cc1noc([C@H]2CN(C(=O)Nc3ccccc3)CC23CCN(C)CC3)n1 ZINC000097112042 508219587 /nfs/dbraw/zinc/21/95/87/508219587.db2.gz HRARPYTTWXYHIT-MRXNPFEDSA-N 0 3 355.442 2.721 50 0 FFAAHN O=C(c1cn2cccnc2n1)N1CCCN(CCCc2ccccc2)CC1 ZINC000077304102 508297362 /nfs/dbraw/zinc/29/73/62/508297362.db2.gz URDZHBXJWZTZLP-UHFFFAOYSA-N 0 3 363.465 2.510 50 0 FFAAHN CC(C)Cc1ccc(CN2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)cc1 ZINC000077341265 508302268 /nfs/dbraw/zinc/30/22/68/508302268.db2.gz SPLGHVXWZRECOD-NHCUHLMSSA-N 0 3 367.493 2.645 50 0 FFAAHN C[C@H]1CN([C@@H](CNCc2cnn(C)c2)c2c(F)cccc2Cl)CCO1 ZINC000077434275 508314988 /nfs/dbraw/zinc/31/49/88/508314988.db2.gz GWIWVPZTIYKNHT-GUYCJALGSA-N 0 3 366.868 2.764 50 0 FFAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)CCN2CCCC2=O)cc1 ZINC000077504702 508325051 /nfs/dbraw/zinc/32/50/51/508325051.db2.gz AJTCDVYNSUEKLW-IBGZPJMESA-N 0 3 357.498 2.814 50 0 FFAAHN CC(C)N1C[C@H](NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)[C@@H](C)C1 ZINC000155362779 508986135 /nfs/dbraw/zinc/98/61/35/508986135.db2.gz YRHCADKNYGSEBC-YJBOKZPZSA-N 0 3 359.514 2.807 50 0 FFAAHN C[C@@H](CNC(=O)[C@H]1CCCN1C1CCOCC1)Oc1ccc(Cl)cc1 ZINC000155627668 509040352 /nfs/dbraw/zinc/04/03/52/509040352.db2.gz FQEQQCUMDKATFO-KBXCAEBGSA-N 0 3 366.889 2.867 50 0 FFAAHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnc(C)cn1 ZINC000151880536 509102808 /nfs/dbraw/zinc/10/28/08/509102808.db2.gz KXAIQKDPVWOWEX-QGZVFWFLSA-N 0 3 354.454 2.617 50 0 FFAAHN Cc1ccccc1CN1CCC(NC(=O)N2CCC([C@H](C)O)CC2)CC1 ZINC000156037059 509114862 /nfs/dbraw/zinc/11/48/62/509114862.db2.gz IABILJQIQODYLU-KRWDZBQOSA-N 0 3 359.514 2.762 50 0 FFAAHN COc1ccc(CN2CCC(c3n[nH]cc3C)CC2)cc1Cn1cncn1 ZINC000215859826 509252957 /nfs/dbraw/zinc/25/29/57/509252957.db2.gz AZDQZBAGGZHTQI-UHFFFAOYSA-N 0 3 366.469 2.746 50 0 FFAAHN Cc1cc(C)c(CN2CCN(CC3CC3)CC2)cc1CN1CCN(C)CC1 ZINC000216114484 509258127 /nfs/dbraw/zinc/25/81/27/509258127.db2.gz ACCGBAJVHLZSRB-UHFFFAOYSA-N 0 3 370.585 2.578 50 0 FFAAHN CN(C)Cc1ccc([C@H]2CCCN2C(=O)CSc2ncccn2)cc1 ZINC000220196633 509298083 /nfs/dbraw/zinc/29/80/83/509298083.db2.gz ARKFZMGFEZWXEZ-QGZVFWFLSA-N 0 3 356.495 2.994 50 0 FFAAHN CN(C)Cc1ccc([C@@H]2CCCN2C(=O)Cn2nc3ccccc3n2)cc1 ZINC000221271813 509306370 /nfs/dbraw/zinc/30/63/70/509306370.db2.gz RBMPFUBDLRZTDP-FQEVSTJZSA-N 0 3 363.465 2.857 50 0 FFAAHN O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)C1(N2CCCC2)CCCC1 ZINC000223181969 509330663 /nfs/dbraw/zinc/33/06/63/509330663.db2.gz ZGEJXULQKDEDDW-WOJBJXKFSA-N 0 3 372.509 2.886 50 0 FFAAHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1ccccc1C(F)(F)F ZINC000170086057 509667207 /nfs/dbraw/zinc/66/72/07/509667207.db2.gz XUVFIMKRMVXMNQ-ZIAGYGMSSA-N 0 3 350.406 2.655 50 0 FFAAHN Cc1cc(C)n(CCC(=O)NCCN2CC[C@@H](c3ccccc3C)C2)n1 ZINC000252500656 509845857 /nfs/dbraw/zinc/84/58/57/509845857.db2.gz SZWOJRZCYLEPCI-LJQANCHMSA-N 0 3 354.498 2.804 50 0 FFAAHN COC[C@@H]1CN(Cc2ccccc2C(F)(F)F)C[C@H]1C(=O)NC1CC1 ZINC000253398918 509877300 /nfs/dbraw/zinc/87/73/00/509877300.db2.gz CKJLXKDQKXGRPF-DZGCQCFKSA-N 0 3 356.388 2.678 50 0 FFAAHN CN1CCC2(CC1)C[C@@H](NC(=O)Cc1cncs1)c1ccccc1O2 ZINC000187115823 510065265 /nfs/dbraw/zinc/06/52/65/510065265.db2.gz XJUXDOYOJYODDB-MRXNPFEDSA-N 0 3 357.479 2.790 50 0 FFAAHN COc1ccc([C@H](CNCc2cnn3ccccc23)N2CCOCC2)cc1 ZINC000171761921 510354372 /nfs/dbraw/zinc/35/43/72/510354372.db2.gz HLAPGTXJCWQFIM-NRFANRHFSA-N 0 3 366.465 2.506 50 0 FFAAHN Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000246973292 510778045 /nfs/dbraw/zinc/77/80/45/510778045.db2.gz GVQNYYVFIZNUCL-QZTJIDSGSA-N 0 3 366.465 2.657 50 0 FFAAHN Cc1cc(-c2cccc(C(=O)NCCN3CCC[C@@H](CO)C3)c2)cc(C)n1 ZINC000426383728 513922383 /nfs/dbraw/zinc/92/23/83/513922383.db2.gz DBQNBCXFEHRNEV-GOSISDBHSA-N 0 3 367.493 2.800 50 0 FFAAHN CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000426478635 513952666 /nfs/dbraw/zinc/95/26/66/513952666.db2.gz AOLLWADXLYWVNO-ZGXWSNOMSA-N 0 3 357.498 2.717 50 0 FFAAHN O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(-c2cccc(F)c2[O-])cc1 ZINC000426504157 513961907 /nfs/dbraw/zinc/96/19/07/513961907.db2.gz YDNNUORGGJUXFI-KRWDZBQOSA-N 0 3 372.440 2.775 50 0 FFAAHN O=C(NCc1ccc(-c2ccccc2)cc1)N1C[C@H](O)[C@@H](N2CCCC2)C1 ZINC000426551382 513978890 /nfs/dbraw/zinc/97/88/90/513978890.db2.gz UNPGOIWSMAVGTC-SFTDATJTSA-N 0 3 365.477 2.704 50 0 FFAAHN Cc1ccc(-c2ccc(C(=O)N3CCC[C@](O)(CN(C)C)C3)cc2)cn1 ZINC000426640599 514002225 /nfs/dbraw/zinc/00/22/25/514002225.db2.gz YCZNAZHEHCPUJW-NRFANRHFSA-N 0 3 353.466 2.586 50 0 FFAAHN O=C(NCCc1ccccn1)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000426690378 514016479 /nfs/dbraw/zinc/01/64/79/514016479.db2.gz ZCFBVQFUNZTVMV-UHFFFAOYSA-N 0 3 364.493 2.509 50 0 FFAAHN COc1ccc(NC(=O)NC[C@H](c2ccccc2C)N(C)C)cc1C(N)=O ZINC000426746351 514031360 /nfs/dbraw/zinc/03/13/60/514031360.db2.gz VDYMBLMLNCOPIR-QGZVFWFLSA-N 0 3 370.453 2.527 50 0 FFAAHN CCn1cc(CN2CCC3(CC2)C[C@@H](Cc2nc(C)no2)CCO3)c(C)n1 ZINC000575546338 518229867 /nfs/dbraw/zinc/22/98/67/518229867.db2.gz VNUILVWLFLGBEK-QGZVFWFLSA-N 0 3 373.501 2.907 50 0 FFAAHN O=C(NCC1CCN([C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000575605752 518234028 /nfs/dbraw/zinc/23/40/28/518234028.db2.gz HFTOBNGRPKGJHU-MRXNPFEDSA-N 0 3 367.287 2.680 50 0 FFAAHN Cc1cccc2[nH]c(CCN(C)C(=O)NC[C@@H](C)N3CCCCC3)nc21 ZINC000584885954 518522632 /nfs/dbraw/zinc/52/26/32/518522632.db2.gz UZCJPMVRGLMORC-MRXNPFEDSA-N 0 3 357.502 2.930 50 0 FFAAHN CCCN1CCCn2nc(CNC(=O)[C@@H]3CCc4ccccc4C3)cc2C1 ZINC000082083924 519855365 /nfs/dbraw/zinc/85/53/65/519855365.db2.gz YRBCYLWRKHCPBY-LJQANCHMSA-N 0 3 366.509 2.920 50 0 FFAAHN CCOc1cc(CN2CCN3CCN(C)C[C@H]3C2)cc(Cl)c1OCC ZINC000248103637 520698631 /nfs/dbraw/zinc/69/86/31/520698631.db2.gz FLZLHVIAABBGBF-INIZCTEOSA-N 0 3 367.921 2.569 50 0 FFAAHN CCCCOc1ccc(OCCOCCN2CCN(CC)CC2)cc1 ZINC000020389874 520893437 /nfs/dbraw/zinc/89/34/37/520893437.db2.gz CRHNMUVLVXHOOE-UHFFFAOYSA-N 0 3 350.503 2.898 50 0 FFAAHN CCOc1ccc(N2C(=O)C[C@@H](NCCCc3ccccc3)C2=O)cc1 ZINC000020057735 521036762 /nfs/dbraw/zinc/03/67/62/521036762.db2.gz ZLKHJQBLTAJQQO-LJQANCHMSA-N 0 3 352.434 2.940 50 0 FFAAHN COc1cc(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)cc(Cl)c1[O-] ZINC000020997236 522383671 /nfs/dbraw/zinc/38/36/71/522383671.db2.gz DIVVFHLEFSZQAY-INIZCTEOSA-N 0 3 370.921 2.969 50 0 FFAAHN COc1cc(CN2CC[N@@H+](CCC(C)C)[C@@H](CCO)C2)cc(Cl)c1[O-] ZINC000020997236 522383683 /nfs/dbraw/zinc/38/36/83/522383683.db2.gz DIVVFHLEFSZQAY-INIZCTEOSA-N 0 3 370.921 2.969 50 0 FFAAHN Cc1cccc(-c2ncc(CN3CCN(CC(C)C)[C@@H](CCO)C3)cn2)c1 ZINC000019789865 524122166 /nfs/dbraw/zinc/12/21/66/524122166.db2.gz UEYDYVPXPXTTNR-NRFANRHFSA-N 0 3 368.525 2.977 50 0 FFAAHN COc1ccccc1-n1cc(CN[C@H]2COc3c(cccc3OC)C2)cn1 ZINC000020323338 524305284 /nfs/dbraw/zinc/30/52/84/524305284.db2.gz OFNGZEPRKMVUHB-QGZVFWFLSA-N 0 3 365.433 2.983 50 0 FFAAHN COc1ccccc1CC(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 ZINC000082099203 524383898 /nfs/dbraw/zinc/38/38/98/524383898.db2.gz BZDRDVCMEHDQFI-UHFFFAOYSA-N 0 3 370.497 2.612 50 0 FFAAHN Cc1c(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cnn1C ZINC000019792637 525706982 /nfs/dbraw/zinc/70/69/82/525706982.db2.gz USDOAXDTMLDKQQ-IBGZPJMESA-N 0 3 371.504 2.654 50 0 FFAAHN O=C(NCc1cc2n(n1)CCCNC2)C(c1ccccc1)c1ccccc1 ZINC000082087340 526645170 /nfs/dbraw/zinc/64/51/70/526645170.db2.gz IXGIWFRJHDNLIR-UHFFFAOYSA-N 0 3 360.461 2.825 50 0 FFAAHN O=C1CC[C@@]2(CCCN(C/C=C/c3ccc(F)cc3)C2)CN1CCCO ZINC000082145762 526992809 /nfs/dbraw/zinc/99/28/09/526992809.db2.gz UEUKRYWZUXYWTM-AJNFGNPCSA-N 0 3 360.473 2.926 50 0 FFAAHN CC(C)OCCCNC(=O)C1(CCO)CCN(Cc2ccccc2)CC1 ZINC000299804034 527940952 /nfs/dbraw/zinc/94/09/52/527940952.db2.gz SXDFAXGICCJYRI-UHFFFAOYSA-N 0 3 362.514 2.583 50 0 FFAAHN CCCc1cnc(C)nc1N1CCC[C@H](c2nccn2CCN(C)C)C1 ZINC000095502224 535437240 /nfs/dbraw/zinc/43/72/40/535437240.db2.gz RUUXNOLWTWPGIR-SFHVURJKSA-N 0 3 356.518 2.880 50 0 FFAAHN CN1CCN(c2ncc(CN3CCCCC[C@@H]3c3ccncc3)cn2)CC1 ZINC000095453814 536425880 /nfs/dbraw/zinc/42/58/80/536425880.db2.gz QIWXFBFRAJWHAJ-HXUWFJFHSA-N 0 3 366.513 2.741 50 0 FFAAHN CCN(CC)CCn1c2ccccc2[nH]c1=NC(=O)CC[C@@H]1CCCO1 ZINC000046130336 570928167 /nfs/dbraw/zinc/92/81/67/570928167.db2.gz JFGUGTDLKFKFDC-INIZCTEOSA-N 0 3 358.486 2.698 50 0 FFAAHN CC(C)CCN1CCN(Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000047871199 570931910 /nfs/dbraw/zinc/93/19/10/570931910.db2.gz CXXAZKGRQKGVPP-UHFFFAOYSA-N 0 3 362.449 2.951 50 0 FFAAHN CN(C(=O)c1n[nH]c2ccccc21)C1CCN(CCc2ccccn2)CC1 ZINC000129352924 571165840 /nfs/dbraw/zinc/16/58/40/571165840.db2.gz WVRAEFHNRKABRS-UHFFFAOYSA-N 0 3 363.465 2.737 50 0 FFAAHN COCCOCC(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072145486 571173041 /nfs/dbraw/zinc/17/30/41/571173041.db2.gz CGWPWHIFNWWUKZ-IBGZPJMESA-N 0 3 366.477 2.548 50 0 FFAAHN COC1(CNCc2nc3cc(C(F)(F)F)ccc3n2C)CCOCC1 ZINC000123138655 571184919 /nfs/dbraw/zinc/18/49/19/571184919.db2.gz QRTZFIRIXCCBIT-UHFFFAOYSA-N 0 3 357.376 2.877 50 0 FFAAHN O=C(NCCN1CCCC[C@H]1CO)c1ccc(COc2ccccc2)cc1 ZINC000670459261 571356222 /nfs/dbraw/zinc/35/62/22/571356222.db2.gz MNDIWSIJLGUHCX-FQEVSTJZSA-N 0 3 368.477 2.842 50 0 FFAAHN CC[C@@H](c1cccs1)N1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C1=O ZINC000169752180 728981286 /nfs/dbraw/zinc/98/12/86/728981286.db2.gz DUKDFAOGNVVRGO-XHSDSOJGSA-N 0 3 355.463 2.711 50 0 FFAAHN Cc1nnc([C@H]2CCN(Cc3ccccc3)CCN2Cc2cccnc2)[nH]1 ZINC000675013554 971490093 /nfs/dbraw/zinc/49/00/93/971490093.db2.gz NJDISZLYCNIINJ-HXUWFJFHSA-N 0 3 362.481 2.957 50 0 FFAAHN Cc1ccc(-c2n[nH]cc2CN2CCC(n3cc([C@H](C)O)nn3)CC2)cc1 ZINC000019885603 970484974 /nfs/dbraw/zinc/48/49/74/970484974.db2.gz ZSJYCYOHMITTQC-HNNXBMFYSA-N 0 3 366.469 2.867 50 0 FFAAHN Cc1cc(CN(C)C(=O)C2(N3CCCCC3)Cc3ccccc3C2)[nH]n1 ZINC000011936763 987794582 /nfs/dbraw/zinc/79/45/82/987794582.db2.gz OEXAEPAIYUOYCO-UHFFFAOYSA-N 0 3 352.482 2.700 50 0 FFAAHN Cc1c[nH+]ccc1NCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000825527309 999331378 /nfs/dbraw/zinc/33/13/78/999331378.db2.gz MUWRSJDSSJJQBL-UHFFFAOYSA-N 0 3 360.266 2.509 50 0 FFAAHN CCNC(=O)C[C@@H]1CCCCN1Cc1cc(C)nc(N2CCCCC2)n1 ZINC000585081489 1008251708 /nfs/dbraw/zinc/25/17/08/1008251708.db2.gz XMRMJWVNPRNHKX-SFHVURJKSA-N 0 3 359.518 2.656 50 0 FFAAHN C[C@@H](NCc1c[nH]c2nccnc12)c1cc(F)ccc1N1CCC(O)CC1 ZINC000585084993 1008295518 /nfs/dbraw/zinc/29/55/18/1008295518.db2.gz HLBRJSLVKARLSF-CYBMUJFWSA-N 0 3 369.444 2.861 50 0 FFAAHN COc1cccc(CC2(CO)CCN(C(=O)[C@@H]3CCCCCN3C)CC2)c1 ZINC000067908204 1019198410 /nfs/dbraw/zinc/19/84/10/1019198410.db2.gz FNQHCQVULRJVDY-FQEVSTJZSA-N 0 3 374.525 2.713 50 0 FFAAHN Cc1[nH]nc(CN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1Cl ZINC001529125720 1062177690 /nfs/dbraw/zinc/17/76/90/1062177690.db2.gz ZLNJKNSNXQNCOO-KDOFPFPSSA-N 0 3 356.857 2.955 50 0 FFAAHN CN1CCC(Oc2ccccc2NC(=O)NCCCc2ncc[nH]2)CC1 ZINC000299788004 530051011 /nfs/dbraw/zinc/05/10/11/530051011.db2.gz QRGJFCHCVLCMEI-UHFFFAOYSA-N 0 3 357.458 2.637 50 0 FFAAHN COc1cc(C(=O)N2CCN(C[C@H]3CC=CCC3)CC2)cc(OC)c1OC ZINC000000893236 219337825 /nfs/dbraw/zinc/33/78/25/219337825.db2.gz IHBIFAFLCFSOQP-INIZCTEOSA-N 0 3 374.481 2.827 50 0 FFAAHN Cc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCN(C)CC2)n1C(F)F ZINC000299768509 223088456 /nfs/dbraw/zinc/08/84/56/223088456.db2.gz OABBVDAORPEKOX-MRXNPFEDSA-N 0 3 368.472 2.824 50 0 FFAAHN O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCC(Oc2ccncc2)CC1 ZINC000299795418 223100147 /nfs/dbraw/zinc/10/01/47/223100147.db2.gz KXMPXSOLUXXJEW-QGZVFWFLSA-N 0 3 369.465 2.957 50 0 FFAAHN COc1ccc(S(=O)(=O)NC[C@H]2CCCN(CC(C)(C)C)C2)cc1 ZINC000012479396 220000662 /nfs/dbraw/zinc/00/06/62/220000662.db2.gz ZQGFCUBWDUFDSI-OAHLLOKOSA-N 0 3 354.516 2.732 50 0 FFAAHN Cc1cc2c(cc1CN[C@H]1CC(=O)N(Cc3cccc(F)c3)C1)OCO2 ZINC000012710576 220019607 /nfs/dbraw/zinc/01/96/07/220019607.db2.gz XUSWMGNGIXFEHP-KRWDZBQOSA-N 0 3 356.397 2.754 50 0 FFAAHN COc1cccc(CNC[C@H](O)COc2ccc(CCC(C)=O)cc2)c1 ZINC000012781038 220029408 /nfs/dbraw/zinc/02/94/08/220029408.db2.gz YPNJFJITTFQASD-IBGZPJMESA-N 0 3 357.450 2.746 50 0 FFAAHN CN(C)[C@@H](CNC(=O)CCNC(=O)c1ccccc1Cl)c1ccccc1 ZINC000014061932 220104504 /nfs/dbraw/zinc/10/45/04/220104504.db2.gz MZIXGGOFULDJCN-SFHVURJKSA-N 0 3 373.884 2.879 50 0 FFAAHN CC(=O)c1cccc(CN2CCC(CCC(=O)N3CCOCC3)CC2)c1 ZINC000014968108 220137609 /nfs/dbraw/zinc/13/76/09/220137609.db2.gz SMDSVYLTFJABOD-UHFFFAOYSA-N 0 3 358.482 2.740 50 0 FFAAHN CN(Cc1ccccc1)C1(C(=O)N2CCC(O)CC2)Cc2ccccc2C1 ZINC000015080086 220146738 /nfs/dbraw/zinc/14/67/38/220146738.db2.gz HXHGCAIVKGVUFT-UHFFFAOYSA-N 0 3 364.489 2.639 50 0 FFAAHN Cc1ccc(CNCc2cccn2-c2nnc(N3CCOCC3)s2)cc1 ZINC000015728199 220162141 /nfs/dbraw/zinc/16/21/41/220162141.db2.gz DAGBVLLHGLMUSY-UHFFFAOYSA-N 0 3 369.494 2.764 50 0 FFAAHN Cc1ncc2c(c1-c1noc(-c3cnn(Cc4ccccc4)c3)n1)CCNC2 ZINC000019957529 220306123 /nfs/dbraw/zinc/30/61/23/220306123.db2.gz JZFWGKQJUAECLC-UHFFFAOYSA-N 0 3 372.432 2.998 50 0 FFAAHN CCn1nc(C)c(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)c1C ZINC000022852990 220399987 /nfs/dbraw/zinc/39/99/87/220399987.db2.gz HRVXYOHABUEVGL-HXUWFJFHSA-N 0 3 362.562 2.969 50 0 FFAAHN CCN1CCN(Cc2ccc(CNC(=O)c3ccnc(Cl)c3)cc2)CC1 ZINC000048842101 221015484 /nfs/dbraw/zinc/01/54/84/221015484.db2.gz UVWIAGGMSUDZNG-UHFFFAOYSA-N 0 3 372.900 2.803 50 0 FFAAHN COc1ccc(CNCc2ccc(CN3CCN(C)CC3)cc2)c(OC)c1 ZINC000048782948 221014034 /nfs/dbraw/zinc/01/40/34/221014034.db2.gz MGLKESNFIGFJAJ-UHFFFAOYSA-N 0 3 369.509 2.741 50 0 FFAAHN c1ccc(CN2CCC(NCc3cccc4c3OCCCO4)CC2)nc1 ZINC000048263168 221004558 /nfs/dbraw/zinc/00/45/58/221004558.db2.gz DONUUNAMKUUJJH-UHFFFAOYSA-N 0 3 353.466 2.997 50 0 FFAAHN CC(C)(C)[C@H](NCC(=O)NC(=O)NCC(F)(F)F)c1cccs1 ZINC000052838702 221040800 /nfs/dbraw/zinc/04/08/00/221040800.db2.gz NCGJOSGAJOZPEN-LLVKDONJSA-N 0 3 351.394 2.813 50 0 FFAAHN CC(C)CN(Cc1cnn(C)c1)Cc1cn(CC(N)=O)c2ccccc12 ZINC000055196432 221061094 /nfs/dbraw/zinc/06/10/94/221061094.db2.gz MOXNHIMGLCWMBB-UHFFFAOYSA-N 0 3 353.470 2.518 50 0 FFAAHN CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000056144397 221078483 /nfs/dbraw/zinc/07/84/83/221078483.db2.gz HDEZSAQCWGJGDO-GJZGRUSLSA-N 0 3 370.453 2.545 50 0 FFAAHN Cc1ccc(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000056995390 221082852 /nfs/dbraw/zinc/08/28/52/221082852.db2.gz QNHYAXAXXOWTJQ-UHFFFAOYSA-N 0 3 366.509 2.718 50 0 FFAAHN Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)n1 ZINC000057202437 221085029 /nfs/dbraw/zinc/08/50/29/221085029.db2.gz CUUKKZLTSKIMQY-OXQOHEQNSA-N 0 3 371.529 2.608 50 0 FFAAHN CN1CCC(NC(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000058406805 221117532 /nfs/dbraw/zinc/11/75/32/221117532.db2.gz IDWHDBYMDGCZHB-AWEZNQCLSA-N 0 3 350.894 2.560 50 0 FFAAHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1ccn(CCc2ccccn2)n1 ZINC000058425820 221119766 /nfs/dbraw/zinc/11/97/66/221119766.db2.gz DIPRLLHAQJGNPK-IFXJQAMLSA-N 0 3 364.405 2.688 50 0 FFAAHN Cc1nn(C)c(C)c1-c1ccnc(N2CCCN(c3ccncc3)CC2)n1 ZINC000063870687 221143229 /nfs/dbraw/zinc/14/32/29/221143229.db2.gz HLOOSTRSJFJWEX-UHFFFAOYSA-N 0 3 363.469 2.606 50 0 FFAAHN Cc1ccc(NC(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1 ZINC000065362546 221201894 /nfs/dbraw/zinc/20/18/94/221201894.db2.gz REOPGITZLANKJT-UHFFFAOYSA-N 0 3 354.458 2.927 50 0 FFAAHN O=C(NC1CC1)c1ccc(N2CC[C@H](NCc3ccc(F)c(F)c3)C2)nc1 ZINC000065256966 221190180 /nfs/dbraw/zinc/19/01/80/221190180.db2.gz RUCKNMUPEGWDPI-INIZCTEOSA-N 0 3 372.419 2.621 50 0 FFAAHN CN(Cc1csc(-c2ccccc2)n1)C(=O)c1cc2n(n1)CCCNC2 ZINC000065409212 221216313 /nfs/dbraw/zinc/21/63/13/221216313.db2.gz NXOFEAGMUJTKLK-UHFFFAOYSA-N 0 3 367.478 2.772 50 0 FFAAHN Cc1ccccc1NC(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1 ZINC000067613836 221263612 /nfs/dbraw/zinc/26/36/12/221263612.db2.gz RAWRBLYWOJICPS-UHFFFAOYSA-N 0 3 354.458 2.514 50 0 FFAAHN C[NH+]1CCC2(CC1)CCCN(C(=O)c1cc(=O)c3ccccc3[n-]1)CC2 ZINC000067688503 221270686 /nfs/dbraw/zinc/27/06/86/221270686.db2.gz RVXVICKEBVPLAD-UHFFFAOYSA-N 0 3 353.466 2.866 50 0 FFAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3c(C)cccc3CO)cnn2c1 ZINC000067757133 221282227 /nfs/dbraw/zinc/28/22/27/221282227.db2.gz DXYJDYUHFRIPCF-UHFFFAOYSA-N 0 3 367.453 2.624 50 0 FFAAHN Cc1cccc(CNC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)c1C ZINC000067772930 221283669 /nfs/dbraw/zinc/28/36/69/221283669.db2.gz ORETUVWABOSYKJ-QHCPKHFHSA-N 0 3 366.505 2.989 50 0 FFAAHN O=C1N(CCCc2ccccc2)CCC[C@]1(O)CNCc1cccs1 ZINC000067840227 221292271 /nfs/dbraw/zinc/29/22/71/221292271.db2.gz PNUIRUVXUGAZBG-FQEVSTJZSA-N 0 3 358.507 2.824 50 0 FFAAHN CCOc1ccc2[nH]c(=O)c(CN3CC(N4CCCC[C@@H]4C)C3)cc2c1 ZINC000067974328 221310892 /nfs/dbraw/zinc/31/08/92/221310892.db2.gz JJAYLNPPYOSWRJ-HNNXBMFYSA-N 0 3 355.482 2.985 50 0 FFAAHN CCC[C@@H](Nc1nc(-c2cccnc2)nc2c1CCNC2)c1nccn1C ZINC000067973860 221310999 /nfs/dbraw/zinc/31/09/99/221310999.db2.gz OBWYCDYGZLQBLJ-MRXNPFEDSA-N 0 3 363.469 2.871 50 0 FFAAHN C[C@@H]1C[C@@H](C)CN(CCNC(=O)[C@@H]2CC(c3ccc(Cl)s3)=NO2)C1 ZINC000070006793 221330607 /nfs/dbraw/zinc/33/06/07/221330607.db2.gz BHFAXSIHOROYLX-BZPMIXESSA-N 0 3 369.918 2.989 50 0 FFAAHN CCn1ccnc1CN1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071747912 221359493 /nfs/dbraw/zinc/35/94/93/221359493.db2.gz XNXNFAYOPIWZKC-KSEOMHKRSA-N 0 3 366.509 2.974 50 0 FFAAHN NC1(C(=O)N2CCO[C@@H](CC(c3ccccc3)c3ccccc3)C2)CC1 ZINC000071767790 221372874 /nfs/dbraw/zinc/37/28/74/221372874.db2.gz NEIIWNUJYWJKHF-IBGZPJMESA-N 0 3 350.462 2.927 50 0 FFAAHN O=C(CN1CCCCC1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071774788 221374826 /nfs/dbraw/zinc/37/48/26/221374826.db2.gz SJBCMFMRLBMKAA-KSEOMHKRSA-N 0 3 353.510 2.561 50 0 FFAAHN CC(C)(O)CCc1cccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000072426437 221517498 /nfs/dbraw/zinc/51/74/98/221517498.db2.gz YCNRYXJOLOUZQQ-FQEVSTJZSA-N 0 3 374.525 2.763 50 0 FFAAHN CC(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057314307 136128613 /nfs/dbraw/zinc/12/86/13/136128613.db2.gz SIEVDNMDUWHARP-UHFFFAOYSA-N 0 3 368.506 2.842 50 0 FFAAHN CS[C@@H]1CN(C(=O)c2csc(-c3ccccn3)n2)C[C@H]1N1CCCC1 ZINC000095939718 221973363 /nfs/dbraw/zinc/97/33/63/221973363.db2.gz LKAHFEIXBLTUCQ-HZPDHXFCSA-N 0 3 374.535 2.857 50 0 FFAAHN COc1ccccc1-n1nc([C@@H]2CCOC2)nc1CCN1CCCCC1 ZINC000096132967 222038786 /nfs/dbraw/zinc/03/87/86/222038786.db2.gz FDVHMVLOAHMZLH-MRXNPFEDSA-N 0 3 356.470 2.808 50 0 FFAAHN Cc1nc(-c2nc(C3(O)CCN(C)CC3)n(Cc3ccccc3)n2)cs1 ZINC000096137581 222041580 /nfs/dbraw/zinc/04/15/80/222041580.db2.gz AVPGYJOOLOGPDE-UHFFFAOYSA-N 0 3 369.494 2.672 50 0 FFAAHN NC(=O)c1ccccc1-c1ccccc1OC[C@H](O)CN1CCCCC1 ZINC000096180153 222067613 /nfs/dbraw/zinc/06/76/13/222067613.db2.gz GYAPSBHPQRVEGL-MRXNPFEDSA-N 0 3 354.450 2.678 50 0 FFAAHN CCO[C@@H]1C[C@@H](NCCNS(=O)(=O)c2ccccc2)C1(CC)CC ZINC000097034471 222154512 /nfs/dbraw/zinc/15/45/12/222154512.db2.gz BENPRZBSBYSQMT-IAGOWNOFSA-N 0 3 354.516 2.538 50 0 FFAAHN Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NCCN1CCC[C@H](C)C1 ZINC000097327106 222174110 /nfs/dbraw/zinc/17/41/10/222174110.db2.gz DAULMGYXAICTOV-ZDUSSCGKSA-N 0 3 361.877 2.691 50 0 FFAAHN Cc1ccccc1CN1CCN(Cc2cc(CC(C)C)[nH]n2)C[C@H]1CCO ZINC000104294952 222353952 /nfs/dbraw/zinc/35/39/52/222353952.db2.gz XZVZHKFGQOWJKD-JOCHJYFZSA-N 0 3 370.541 2.985 50 0 FFAAHN Cc1ccccc1CN1CCN(Cc2cc(C(C)C)[nH]n2)C[C@H]1CCO ZINC000104558101 222359263 /nfs/dbraw/zinc/35/92/63/222359263.db2.gz SZCSOVIQWLDELH-HXUWFJFHSA-N 0 3 356.514 2.910 50 0 FFAAHN COCCCN(Cc1ccc(OC)c(OC)c1)C[C@H](O)COC(C)(C)C ZINC000036095937 506397139 /nfs/dbraw/zinc/39/71/39/506397139.db2.gz RWZQVHFRXYRORX-KRWDZBQOSA-N 0 3 369.502 2.718 50 0 FFAAHN CCN1CCN(CCNC(=O)c2cc(-c3ccc(Cl)cc3)cn2C)CC1 ZINC000065170620 506268084 /nfs/dbraw/zinc/26/80/84/506268084.db2.gz NEAUDTJKQQMRMH-UHFFFAOYSA-N 0 3 374.916 2.713 50 0 FFAAHN O=C(NCc1ccncc1)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1 ZINC000065256072 506277620 /nfs/dbraw/zinc/27/76/20/506277620.db2.gz NYIOGELLPDYEHH-FQEVSTJZSA-N 0 3 373.460 2.558 50 0 FFAAHN CN1CCC(NC(=O)c2ccn(COc3ccc(F)c(Cl)c3)n2)CC1 ZINC000002788304 506293532 /nfs/dbraw/zinc/29/35/32/506293532.db2.gz ASOQVJUNNWIBTJ-UHFFFAOYSA-N 0 3 366.824 2.536 50 0 FFAAHN CC(=O)c1cccc(OC[C@@H](O)CN[C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000032899645 506307760 /nfs/dbraw/zinc/30/77/60/506307760.db2.gz BTEAYRBTNYNVAO-KSSFIOAISA-N 0 3 371.433 2.751 50 0 FFAAHN COc1ccccc1NC(=O)NC[C@@H](CN(C)C)[C@@H](O)c1ccccc1 ZINC000032912645 506311366 /nfs/dbraw/zinc/31/13/66/506311366.db2.gz QQUUITJANOBJQF-LPHOPBHVSA-N 0 3 357.454 2.728 50 0 FFAAHN COC(=O)C1=C(CN2CCCC[C@@H]2C)NC(=O)N[C@H]1c1ccccc1C ZINC000034087017 506365221 /nfs/dbraw/zinc/36/52/21/506365221.db2.gz GYKGGYRCKBGYPY-KSSFIOAISA-N 0 3 357.454 2.650 50 0 FFAAHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc(F)cc1 ZINC000005421535 506441454 /nfs/dbraw/zinc/44/14/54/506441454.db2.gz ODGWHMQJJIYBFW-SFHVURJKSA-N 0 3 351.381 2.771 50 0 FFAAHN Cc1ccc(NC(=O)COc2ccccc2C(=O)NCCN(C)C)cc1C ZINC000005937701 506461676 /nfs/dbraw/zinc/46/16/76/506461676.db2.gz NPGSXWJZSGNKHH-UHFFFAOYSA-N 0 3 369.465 2.612 50 0 FFAAHN O[C@H](CNC[C@@H]1COc2ccccc2O1)CO[C@@H]1CCCc2ccccc21 ZINC000005936019 506461840 /nfs/dbraw/zinc/46/18/40/506461840.db2.gz JLOBBNWYXHGHLJ-QWFCFKBJSA-N 0 3 369.461 2.871 50 0 FFAAHN O=C(CCN(C[C@H]1CCCO1)C[C@H]1CCCO1)Nc1cccc(F)c1 ZINC000040120173 506470754 /nfs/dbraw/zinc/47/07/54/506470754.db2.gz JGUPKDXCEBBLMT-QZTJIDSGSA-N 0 3 350.434 2.814 50 0 FFAAHN COc1ccc(Br)cc1CNC1CCN(C(=O)C2CC2)CC1 ZINC000042209365 506608903 /nfs/dbraw/zinc/60/89/03/506608903.db2.gz HYYAUPPJUSNQQA-UHFFFAOYSA-N 0 3 367.287 2.948 50 0 FFAAHN O=C(Cc1ccc2c(c1)OCCO2)NC1CCN(Cc2ccccc2)CC1 ZINC000007985325 506610653 /nfs/dbraw/zinc/61/06/53/506610653.db2.gz VUILMWJCUYWJPP-UHFFFAOYSA-N 0 3 366.461 2.781 50 0 FFAAHN COC(=O)c1ccc(CN2CCC[C@H](CNC(=O)c3ccco3)C2)cc1 ZINC000012192937 506832291 /nfs/dbraw/zinc/83/22/91/506832291.db2.gz VUMNKRBBEMFNJX-MRXNPFEDSA-N 0 3 356.422 2.708 50 0 FFAAHN CC(C)Oc1ccc(CN[C@@H]2CCCN(c3ncccn3)C2)cc1CO ZINC000012718539 506891818 /nfs/dbraw/zinc/89/18/18/506891818.db2.gz NMSRRSZHACJOJI-GOSISDBHSA-N 0 3 356.470 2.515 50 0 FFAAHN CC(C)CN1CCN(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1 ZINC000022917973 507319605 /nfs/dbraw/zinc/31/96/05/507319605.db2.gz NRYIVXKWENKJIY-UHFFFAOYSA-N 0 3 370.280 2.821 50 0 FFAAHN O=C(NCCC1=CCCCC1)C(=O)NCC1CCN(Cc2ccco2)CC1 ZINC000023127480 507330869 /nfs/dbraw/zinc/33/08/69/507330869.db2.gz ULIYJKBCLFVIOX-UHFFFAOYSA-N 0 3 373.497 2.615 50 0 FFAAHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCCN(C2CCCCCC2)C1 ZINC000072134435 507754560 /nfs/dbraw/zinc/75/45/60/507754560.db2.gz ASQFRGWHZNISAL-MRXNPFEDSA-N 0 3 368.547 2.502 50 0 FFAAHN Cc1nn(C)cc1NC(=O)CN1CCCC[C@H]1c1ccc(CN(C)C)cc1 ZINC000072156129 507763344 /nfs/dbraw/zinc/76/33/44/507763344.db2.gz PZCCZHCKKPNKPD-FQEVSTJZSA-N 0 3 369.513 2.956 50 0 FFAAHN CCc1nc2c(cnn2C)c(N[C@@H]2CCN(C)C[C@@H]2Cc2ccccc2)n1 ZINC000072162768 507765286 /nfs/dbraw/zinc/76/52/86/507765286.db2.gz RBDHRAHJCUKXSD-FUHWJXTLSA-N 0 3 364.497 2.901 50 0 FFAAHN Cc1nc(C2CC[NH+](Cc3cc4ccccc4n(C)c3=O)CC2)cc(=O)[n-]1 ZINC000072163850 507766470 /nfs/dbraw/zinc/76/64/70/507766470.db2.gz VVUNBRJOVGDDCZ-UHFFFAOYSA-N 0 3 364.449 2.722 50 0 FFAAHN Nc1cc(-c2ccc3c(c2)OC[C@@H](N2CCCC2)[C@@H]3O)c2cc[nH]c2n1 ZINC000072167945 507768272 /nfs/dbraw/zinc/76/82/72/507768272.db2.gz AKTVJNPZKYESTH-VQIMIIECSA-N 0 3 350.422 2.702 50 0 FFAAHN Cc1cc(N2CCCN(Cc3ccccc3OCC(=O)[O-])CC2)cc[nH+]1 ZINC000072171544 507768811 /nfs/dbraw/zinc/76/88/11/507768811.db2.gz QFOHEYIRYXMDOG-UHFFFAOYSA-N 0 3 355.438 2.566 50 0 FFAAHN O=C(NC1CCCC1)N1CCn2nc(CN3C[C@@H]4CC=CC[C@@H]4C3)cc2C1 ZINC000072171220 507769144 /nfs/dbraw/zinc/76/91/44/507769144.db2.gz APQWRXNSVSCDGD-CALCHBBNSA-N 0 3 369.513 2.749 50 0 FFAAHN Cc1cccc(-c2n[nH]cc2C(=O)NCc2c(C)ncc3c2CCNC3)c1 ZINC000072417808 507786319 /nfs/dbraw/zinc/78/63/19/507786319.db2.gz SAWSVIUOLSZRLJ-UHFFFAOYSA-N 0 3 361.449 2.664 50 0 FFAAHN Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000072419927 507787112 /nfs/dbraw/zinc/78/71/12/507787112.db2.gz NFWXWPNIPMOEPC-QGZVFWFLSA-N 0 3 357.477 2.930 50 0 FFAAHN Cc1nccn1[C@@H](C)C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072427814 507789257 /nfs/dbraw/zinc/78/92/57/507789257.db2.gz INUVUGGHXYCQCD-MEOONVRBSA-N 0 3 356.514 2.866 50 0 FFAAHN Cc1cnn(CC(=O)N2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072431548 507790323 /nfs/dbraw/zinc/79/03/23/507790323.db2.gz OFTBARRNNSYQCW-KSEOMHKRSA-N 0 3 364.493 2.589 50 0 FFAAHN CN(C)Cc1nnc([C@H]2CCCN(Cc3cc4ccccc4n3C)C2)n1C ZINC000072431521 507790552 /nfs/dbraw/zinc/79/05/52/507790552.db2.gz ONMZHABEXFCJEA-KRWDZBQOSA-N 0 3 366.513 2.748 50 0 FFAAHN O=C(Cc1ccc(CO)cc1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072453615 507793113 /nfs/dbraw/zinc/79/31/13/507793113.db2.gz RLKCGMBTSWYTJQ-UHFFFAOYSA-N 0 3 364.489 2.771 50 0 FFAAHN CCN1CC2(CCN(C[C@@]3(c4cccc(F)c4)CCOC3)CC2)OC1=O ZINC000072447479 507793331 /nfs/dbraw/zinc/79/33/31/507793331.db2.gz LHTNBQOJELSOLO-IBGZPJMESA-N 0 3 362.445 2.791 50 0 FFAAHN CC(C)(O)CCc1ccc(CN2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000072475069 507795114 /nfs/dbraw/zinc/79/51/14/507795114.db2.gz XJTHVVZTRCRNDQ-SFTDATJTSA-N 0 3 360.542 2.811 50 0 FFAAHN COc1ccc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000030000066 507799257 /nfs/dbraw/zinc/79/92/57/507799257.db2.gz RZJGEDTVUMERPN-OAQYLSRUSA-N 0 3 367.493 2.804 50 0 FFAAHN Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)no1 ZINC000091270126 507977752 /nfs/dbraw/zinc/97/77/52/507977752.db2.gz NYNXCKOBZPLZMY-MAUKXSAKSA-N 0 3 351.450 2.687 50 0 FFAAHN CN(C)Cc1csc(CN2CCC3(CC2)c2[nH]cnc2CCN3C)c1 ZINC000091493417 507989969 /nfs/dbraw/zinc/98/99/69/507989969.db2.gz DTBDSINJEWPYFX-UHFFFAOYSA-N 0 3 359.543 2.512 50 0 FFAAHN c1cnn(Cc2cccc(CN3C[C@H]4CC[C@@H]3CN(c3ncccn3)C4)c2)c1 ZINC000091818028 508015533 /nfs/dbraw/zinc/01/55/33/508015533.db2.gz MUFSKRRSGRSVDG-NHCUHLMSSA-N 0 3 374.492 2.822 50 0 FFAAHN COC[C@]1(O)CCN(Cc2cc(CN3CCCC3)cs2)CC1(C)C ZINC000091876658 508021112 /nfs/dbraw/zinc/02/11/12/508021112.db2.gz UORFQWZQWIFJGJ-LJQANCHMSA-N 0 3 352.544 2.953 50 0 FFAAHN CCCc1nc(C(=O)N2CCCO[C@@H](CN3CCCCC3)C2)cs1 ZINC000091965479 508028349 /nfs/dbraw/zinc/02/83/49/508028349.db2.gz NGARIVXFLNUPDM-HNNXBMFYSA-N 0 3 351.516 2.813 50 0 FFAAHN C[C@@H]1CN(Cc2ccccc2Cn2cccn2)CC[C@@]1(O)C1CCOCC1 ZINC000092003040 508031238 /nfs/dbraw/zinc/03/12/38/508031238.db2.gz XUQFTPCTEPMANL-GCJKJVERSA-N 0 3 369.509 2.931 50 0 FFAAHN CCN(CCN1CCCCCC1)C(=O)[C@H]1CC(=O)Nc2ccc(F)cc21 ZINC000092036906 508035741 /nfs/dbraw/zinc/03/57/41/508035741.db2.gz JVYJGYBOYGQZSS-KRWDZBQOSA-N 0 3 361.461 2.976 50 0 FFAAHN C[C@H](C1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1)N1CCN(C)CC1 ZINC000092045811 508036888 /nfs/dbraw/zinc/03/68/88/508036888.db2.gz ASHUBAVRWZWWMS-CQSZACIVSA-N 0 3 367.896 2.967 50 0 FFAAHN CCOC(=O)c1c(C)[nH]c(CCC(=O)NCCN2CCCCCC2)c1C ZINC000075352847 508101018 /nfs/dbraw/zinc/10/10/18/508101018.db2.gz AXYOGDSLYDDEPE-UHFFFAOYSA-N 0 3 363.502 2.733 50 0 FFAAHN CCCc1ccc(CN2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)o1 ZINC000095386715 508182715 /nfs/dbraw/zinc/18/27/15/508182715.db2.gz QRSZCCZCCUKLOY-INIZCTEOSA-N 0 3 368.485 2.985 50 0 FFAAHN Cc1ccc(N2C[C@H](C(=O)N(C)[C@@H](C)C3CCN(C)CC3)CC2=O)cc1 ZINC000095450524 508186046 /nfs/dbraw/zinc/18/60/46/508186046.db2.gz YZNUWNYNRPPUSS-FUHWJXTLSA-N 0 3 357.498 2.537 50 0 FFAAHN O[C@@H](COc1ccccc1CN1CCC(F)CC1)CN1CCCCC1 ZINC000095523418 508194548 /nfs/dbraw/zinc/19/45/48/508194548.db2.gz DGBMAVOQJQEPQI-LJQANCHMSA-N 0 3 350.478 2.846 50 0 FFAAHN CCCCc1ncc(CN2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)[nH]1 ZINC000095524915 508195666 /nfs/dbraw/zinc/19/56/66/508195666.db2.gz MQCYMUKECLHEAK-WMLDXEAASA-N 0 3 373.526 2.832 50 0 FFAAHN C[C@@H](CO)[C@@H](C)NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000095941355 508198386 /nfs/dbraw/zinc/19/83/86/508198386.db2.gz VVAPGRZNDVDLTH-LSDHHAIUSA-N 0 3 358.486 2.715 50 0 FFAAHN CCN1CCN(Cc2ccc(NC(=O)[C@H](C3CC3)N3CCCC3)cc2)CC1 ZINC000095939772 508198501 /nfs/dbraw/zinc/19/85/01/508198501.db2.gz GFPNKGOUCMXRIX-NRFANRHFSA-N 0 3 370.541 2.637 50 0 FFAAHN C[C@@H](C(=O)N1CCC(NC(=O)c2ccsc2)CC1)N1CCCCCC1 ZINC000095959637 508199537 /nfs/dbraw/zinc/19/95/37/508199537.db2.gz ONCNXAZSZRLVTE-HNNXBMFYSA-N 0 3 363.527 2.733 50 0 FFAAHN Cc1ncn(C[C@@H](C)NCC(=O)Nc2cccc(Br)c2)c1C ZINC000095995893 508200496 /nfs/dbraw/zinc/20/04/96/508200496.db2.gz ILGCMFHZJCDEDT-LLVKDONJSA-N 0 3 365.275 2.879 50 0 FFAAHN CC[C@@H](OC1CCCC1)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000096006283 508202197 /nfs/dbraw/zinc/20/21/97/508202197.db2.gz KNIDOBPEFVGQJK-AZUAARDMSA-N 0 3 360.498 2.607 50 0 FFAAHN c1nc2c(ncnc2NCc2cc3n(n2)CCCN(C2CCCCC2)C3)[nH]1 ZINC000082166284 508227672 /nfs/dbraw/zinc/22/76/72/508227672.db2.gz PHDQHBJLQZORJX-UHFFFAOYSA-N 0 3 366.473 2.700 50 0 FFAAHN O=C(c1cccc(-c2cn[nH]c2)c1)N1CCC(N2CCSCC2)CC1 ZINC000097757958 508229938 /nfs/dbraw/zinc/22/99/38/508229938.db2.gz ANRJREVEGZKYNF-UHFFFAOYSA-N 0 3 356.495 2.730 50 0 FFAAHN CC(C)=CCC/C(C)=C/CN1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)C1 ZINC000077356519 508304851 /nfs/dbraw/zinc/30/48/51/508304851.db2.gz QNHQBUQUVFWXIZ-UVQNPWMRSA-N 0 3 357.498 2.939 50 0 FFAAHN Cn1ccnc1CC[C@H]1CCCCN1Cc1cnc(N2CCCC2)nc1 ZINC000077408107 508312901 /nfs/dbraw/zinc/31/29/01/508312901.db2.gz WCQMQMHWJRVGHB-GOSISDBHSA-N 0 3 354.502 2.798 50 0 FFAAHN CN1CCN(C[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000077450112 508317583 /nfs/dbraw/zinc/31/75/83/508317583.db2.gz WPSAKPNLFTWYEK-OAHLLOKOSA-N 0 3 369.431 2.805 50 0 FFAAHN COCCN1C[C@]2(CCCN(Cc3ccc(-c4cc[nH]n4)o3)C2)CCC1=O ZINC000077540564 508330752 /nfs/dbraw/zinc/33/07/52/508330752.db2.gz APUIMFNMVBKBCU-HXUWFJFHSA-N 0 3 372.469 2.521 50 0 FFAAHN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)CSCc2ccccc2)C1 ZINC000136909082 508723674 /nfs/dbraw/zinc/72/36/74/508723674.db2.gz NAQAQSQPMQDCCJ-OTWHNJEPSA-N 0 3 370.518 2.562 50 0 biogenic FFAAHN CCc1ccc(S(=O)(=O)NC2CCN(CC3CC3)CC2)cc1CC ZINC000179284844 509355756 /nfs/dbraw/zinc/35/57/56/509355756.db2.gz WHOQDSYGTRQDJW-UHFFFAOYSA-N 0 3 350.528 2.964 50 0 FFAAHN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C[C@H](N)c3ccccc3)C2)n1 ZINC000237740883 509723511 /nfs/dbraw/zinc/72/35/11/509723511.db2.gz IUQLQRNNNNEDFV-MSOLQXFVSA-N 0 3 366.465 2.657 50 0 FFAAHN COCCN(C(=O)[C@H]1CCCCN1Cc1ccccc1)C1CCN(C)CC1 ZINC000252505456 509845584 /nfs/dbraw/zinc/84/55/84/509845584.db2.gz VRPJLWLPGQTWAU-OAQYLSRUSA-N 0 3 373.541 2.610 50 0 FFAAHN Cc1cc(C(=O)NCCN2CCC(C)CC2)nn1-c1c(F)cccc1F ZINC000252537252 509851939 /nfs/dbraw/zinc/85/19/39/509851939.db2.gz KUCSXCZIGCQGGO-UHFFFAOYSA-N 0 3 362.424 2.921 50 0 FFAAHN O=C(c1cccc(CN[C@@H]2CCC(=O)NC23CCC3)c1)N1CCCCC1 ZINC000282865527 511140567 /nfs/dbraw/zinc/14/05/67/511140567.db2.gz UGEVYBCJBKNIQV-GOSISDBHSA-N 0 3 355.482 2.604 50 0 FFAAHN Nc1ccnc(-c2ccc(C(=O)N3CCN(CC(F)(F)F)CC3)cc2)c1 ZINC000426402151 513929181 /nfs/dbraw/zinc/92/91/81/513929181.db2.gz YPCKXGMGEFXTJI-UHFFFAOYSA-N 0 3 364.371 2.651 50 0 FFAAHN CCCN1CCC[C@H](NC(=O)N2CCCOc3c(cccc3OC)C2)C1 ZINC000426485526 513955528 /nfs/dbraw/zinc/95/55/28/513955528.db2.gz GFRKABKKVSMUHI-KRWDZBQOSA-N 0 3 361.486 2.864 50 0 FFAAHN C[C@@H](NC(=O)N1CCN(C2CCN(C)CC2)CC1)c1ccccc1Cl ZINC000426488590 513956134 /nfs/dbraw/zinc/95/61/34/513956134.db2.gz ZDSJMTLCUWYGOD-OAHLLOKOSA-N 0 3 364.921 2.822 50 0 FFAAHN CCN(CCN(C)C)C(=O)N[C@H](C)c1cnn(-c2ccc(OC)cc2)c1 ZINC000426574731 513984315 /nfs/dbraw/zinc/98/43/15/513984315.db2.gz MJMQIROKNNHGMF-OAHLLOKOSA-N 0 3 359.474 2.535 50 0 FFAAHN Cc1ccc([C@H](CNC(=O)c2ccccc2N2CCOCC2)N(C)C)cc1 ZINC000509940124 515376334 /nfs/dbraw/zinc/37/63/34/515376334.db2.gz UJRJQKDDQOBQHJ-NRFANRHFSA-N 0 3 367.493 2.864 50 0 FFAAHN CNS(=O)(=O)c1cccc([C@@H](C)NC[C@@H]2CCC3(CCCC3)O2)c1 ZINC000530411469 517759826 /nfs/dbraw/zinc/75/98/26/517759826.db2.gz RLYDTWVOUFHVKE-ZBFHGGJFSA-N 0 3 352.500 2.737 50 0 FFAAHN Cc1cccc([C@H](CNC(=O)N2CCN(c3cccnc3)CC2)N(C)C)c1 ZINC000534674621 517996333 /nfs/dbraw/zinc/99/63/33/517996333.db2.gz JBAYXUZWLAWAQR-FQEVSTJZSA-N 0 3 367.497 2.525 50 0 FFAAHN O=C(NCCN1CCCC[C@@H]1CO)Nc1ccc(Cl)c2ncccc12 ZINC000299767994 534330315 /nfs/dbraw/zinc/33/03/15/534330315.db2.gz DRMWUQOFGFZWLB-CYBMUJFWSA-N 0 3 362.861 2.857 50 0 FFAAHN O=C(CC(F)(F)F)NC[C@@H]1CCCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000580602124 519258690 /nfs/dbraw/zinc/25/86/90/519258690.db2.gz AXIUPYZIVZNBTR-ZDUSSCGKSA-N 0 3 354.376 2.844 50 0 FFAAHN COc1ccc(CN2CCN(C3CCSCC3)C[C@@H]2CCO)cc1C ZINC000020452436 524032184 /nfs/dbraw/zinc/03/21/84/524032184.db2.gz ULSYDWDJJXVCQX-IBGZPJMESA-N 0 3 364.555 2.768 50 0 FFAAHN Cc1cccc(CN2CCC(c3nnc(Cn4ccnc4)n3C)CC2)c1 ZINC000091468652 524390692 /nfs/dbraw/zinc/39/06/92/524390692.db2.gz TXAYMPUBZPODKY-UHFFFAOYSA-N 0 3 350.470 2.748 50 0 FFAAHN Cc1cccc(CN2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)n1 ZINC000082098298 524392403 /nfs/dbraw/zinc/39/24/03/524392403.db2.gz HEIMLMFUXGNGOF-OAQYLSRUSA-N 0 3 367.497 2.560 50 0 FFAAHN Cc1cccc(CN2CCC[C@@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)n1 ZINC000082098298 524392415 /nfs/dbraw/zinc/39/24/15/524392415.db2.gz HEIMLMFUXGNGOF-OAQYLSRUSA-N 0 3 367.497 2.560 50 0 FFAAHN C[C@H]1CN(C)CCN1CC1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000085468237 524555482 /nfs/dbraw/zinc/55/54/82/524555482.db2.gz UVBREQDCFVIATE-IBGZPJMESA-N 0 3 357.542 2.884 50 0 FFAAHN O=C([C@H]1CCCN(Cc2ccco2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000091664497 526537525 /nfs/dbraw/zinc/53/75/25/526537525.db2.gz JSXCCNDZZSPTCC-KRWDZBQOSA-N 0 3 371.456 2.980 50 0 FFAAHN CC(C)COc1ccccc1NC(=O)N1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000299791807 528187749 /nfs/dbraw/zinc/18/77/49/528187749.db2.gz DLILIFRVOMIKBY-ROUUACIJSA-N 0 3 361.486 2.784 50 0 FFAAHN Cc1nc(CN2CCN(Cc3cc(CN(C)C)cs3)CC2)cs1 ZINC000215608162 568079616 /nfs/dbraw/zinc/07/96/16/568079616.db2.gz VSXXNIOXXDOKFX-UHFFFAOYSA-N 0 3 350.557 2.892 50 0 FFAAHN Cc1nnc(-c2nnc(N3CCN(CC(C)C)CC3)c3ccccc32)o1 ZINC000065258157 570835959 /nfs/dbraw/zinc/83/59/59/570835959.db2.gz HCCWAVSOXJUOHQ-UHFFFAOYSA-N 0 3 352.442 2.766 50 0 FFAAHN CC(C)n1cnnc1SCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000047442162 570887923 /nfs/dbraw/zinc/88/79/23/570887923.db2.gz YDIOZKXNFSVTGK-QGZVFWFLSA-N 0 3 373.526 2.904 50 0 FFAAHN CCc1cc(CCCN2CCCC[C@H]2c2[nH]ncc2C(=O)N(C)C)on1 ZINC000685939916 571099154 /nfs/dbraw/zinc/09/91/54/571099154.db2.gz NSPBJAWVTHJFBA-KRWDZBQOSA-N 0 3 359.474 2.822 50 0 FFAAHN C[C@H]1COc2ccccc2CN1C(=O)c1c[nH]c(C2CCN(C)CC2)n1 ZINC000685942397 571102658 /nfs/dbraw/zinc/10/26/58/571102658.db2.gz PGZAZWGYQJKGJP-AWEZNQCLSA-N 0 3 354.454 2.642 50 0 FFAAHN CCN(C(=O)NCc1cccc(NC(=O)C2CCC2)c1)[C@@H](C)CN(C)C ZINC000252493120 571280944 /nfs/dbraw/zinc/28/09/44/571280944.db2.gz MZPOJAYASFZVSK-HNNXBMFYSA-N 0 3 360.502 2.907 50 0 FFAAHN CCCN1CC[C@H](NC(=O)N2CCN(c3nsc4ccccc43)CC2)C1 ZINC000670437070 571347036 /nfs/dbraw/zinc/34/70/36/571347036.db2.gz JLCDFIJDQJPMFK-HNNXBMFYSA-N 0 3 373.526 2.612 50 0 FFAAHN