smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c2cc(C)sc2c2cnn(CCN3CCCC3)c(=O)c21 ZINC000012142705 201828971 /nfs/dbraw/zinc/82/89/71/201828971.db2.gz ZYOLLSVGEWVKSK-UHFFFAOYSA-N 0 3 330.457 2.837 40 0 EFABHN Cc1ccc2c(c1)CN(C(=O)[C@H]1C[C@H]1C)CC1(CCN(C)CC1)O2 ZINC000012228251 201834388 /nfs/dbraw/zinc/83/43/88/201834388.db2.gz LWECJDOWUPPAGW-WBVHZDCISA-N 0 3 328.456 2.836 40 0 EFABHN Cc1ccc2c(c1)CN(C(=O)Cc1ccsc1)[C@@H](CN(C)C)CO2 ZINC000012406619 201845171 /nfs/dbraw/zinc/84/51/71/201845171.db2.gz WAHZDHLWLRFXJU-KRWDZBQOSA-N 0 3 344.480 2.950 40 0 EFABHN FC(F)(F)c1cc(N2CCNCC2)nc2nn(C3CCCC3)cc21 ZINC000012398892 282917521 /nfs/dbraw/zinc/91/75/21/282917521.db2.gz SXGDXYOSZBNPNR-UHFFFAOYSA-N 0 3 339.365 2.975 40 0 EFABHN CSc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[n-]c(=O)c2C3)cc1 ZINC000019286362 202002689 /nfs/dbraw/zinc/00/26/89/202002689.db2.gz HNLGFJPBYMKRCE-CABCVRRESA-N 0 3 341.480 2.932 40 0 EFABHN CSc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[n-]c(=O)c2C3)cc1 ZINC000019286362 202002693 /nfs/dbraw/zinc/00/26/93/202002693.db2.gz HNLGFJPBYMKRCE-CABCVRRESA-N 0 3 341.480 2.932 40 0 EFABHN O=C(CC1CCCCC1)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019292405 202002949 /nfs/dbraw/zinc/00/29/49/202002949.db2.gz SRSQEVCJZWMZPL-UHFFFAOYSA-N 0 3 342.487 2.799 40 0 EFABHN c1csc(CN2CCC[C@H](Cn3nnc(-c4ccncc4)n3)C2)c1 ZINC000019343510 202004994 /nfs/dbraw/zinc/00/49/94/202004994.db2.gz VHXTULDTLXDURQ-AWEZNQCLSA-N 0 3 340.456 2.709 40 0 EFABHN O=C(C1CCOCC1)N1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000019372492 202005177 /nfs/dbraw/zinc/00/51/77/202005177.db2.gz QHDBOVHBDMOMLW-VQTJNVASSA-N 0 3 342.483 2.926 40 0 EFABHN C1=C[C@H]2C[C@@H]1C[C@@H]2CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019345789 202005272 /nfs/dbraw/zinc/00/52/72/202005272.db2.gz JBVCATTYCGLWHJ-BPQIPLTHSA-N 0 3 326.440 2.745 40 0 EFABHN CC1CCN(CCNC(=O)CCc2nc(-c3cccs3)no2)CC1 ZINC000019496904 202008856 /nfs/dbraw/zinc/00/88/56/202008856.db2.gz KULWVBIMKSAROD-UHFFFAOYSA-N 0 3 348.472 2.579 40 0 EFABHN COc1cccc(-c2ocnc2C(=O)NCCN2CCCCCC2)c1 ZINC000019566513 202010832 /nfs/dbraw/zinc/01/08/32/202010832.db2.gz YWBCRRVGEYZVOY-UHFFFAOYSA-N 0 3 343.427 2.956 40 0 EFABHN COc1ccc(C(=O)N2CCC[C@H](c3cc4c[nH]ccc-4n3)C2)cn1 ZINC000019561861 202011698 /nfs/dbraw/zinc/01/16/98/202011698.db2.gz IGKRVAFDOHQOIC-AWEZNQCLSA-N 0 3 336.395 2.986 40 0 EFABHN COc1ccc(C(=O)N2CCC[C@H](c3cc4cnccc4[nH]3)C2)cn1 ZINC000019561861 202011702 /nfs/dbraw/zinc/01/17/02/202011702.db2.gz IGKRVAFDOHQOIC-AWEZNQCLSA-N 0 3 336.395 2.986 40 0 EFABHN CN(C)CCN(Cc1ccc2c(c1)OCO2)C(=O)C1[C@@H]2CCCC[C@H]12 ZINC000019582567 202012367 /nfs/dbraw/zinc/01/23/67/202012367.db2.gz HJZSKXWSAJSZGL-MCPYQZEQSA-N 0 3 344.455 2.742 40 0 EFABHN Cc1ccc(NC(=O)CNC[C@H](c2ccccc2)N(C)C)cc1F ZINC000022038313 202077573 /nfs/dbraw/zinc/07/75/73/202077573.db2.gz XEJRWXMQAKGFLB-GOSISDBHSA-N 0 3 329.419 2.965 40 0 EFABHN NC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000039742565 202163087 /nfs/dbraw/zinc/16/30/87/202163087.db2.gz UQXQZWDZXWVAEQ-UHFFFAOYSA-N 0 3 337.423 2.636 40 0 EFABHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1Cc2ccccc2O1 ZINC000040013509 202166748 /nfs/dbraw/zinc/16/67/48/202166748.db2.gz BDNZQEFXDKBMTH-QUCCMNQESA-N 0 3 336.435 2.943 40 0 EFABHN CCN1CCN(Cc2ccc(CNC(=O)c3ccsc3)cc2)CC1 ZINC000040115281 202171478 /nfs/dbraw/zinc/17/14/78/202171478.db2.gz MRAZPONPVHJTIV-UHFFFAOYSA-N 0 3 343.496 2.816 40 0 EFABHN Cc1sc2ncnc(NCC(C)(C)N3CCN(C)CC3)c2c1C ZINC000029839763 202191049 /nfs/dbraw/zinc/19/10/49/202191049.db2.gz QMWQCRIRQRVHLL-UHFFFAOYSA-N 0 3 333.505 2.746 40 0 EFABHN O=c1cc(CN2CCC[C@H]2C[C@@H](O)c2ccccc2)nc2ccccn12 ZINC000072867373 202368924 /nfs/dbraw/zinc/36/89/24/202368924.db2.gz VEOCNSWWVMSCTL-RBUKOAKNSA-N 0 3 349.434 2.783 40 0 EFABHN Cc1cccc(C(=O)Nc2ccc(CCN3CCC(O)CC3)cc2)n1 ZINC000075415564 202380908 /nfs/dbraw/zinc/38/09/08/202380908.db2.gz QTEQWTLXICRQJY-UHFFFAOYSA-N 0 3 339.439 2.642 40 0 EFABHN O=C(Nc1ccc(CCN2CCC(O)CC2)cc1)Nc1cccnc1 ZINC000075543294 202380938 /nfs/dbraw/zinc/38/09/38/202380938.db2.gz QACISWDCCCKRKU-UHFFFAOYSA-N 0 3 340.427 2.725 40 0 EFABHN Cc1occc1C(=O)Nc1ccc(CCN2CCC(O)CC2)cc1 ZINC000075415725 202380953 /nfs/dbraw/zinc/38/09/53/202380953.db2.gz SNKDIUWZTSUPTB-UHFFFAOYSA-N 0 3 328.412 2.840 40 0 EFABHN COc1ccc(CNCCc2cc(F)cc3c2OCOC3)cc1O ZINC000078552757 202395951 /nfs/dbraw/zinc/39/59/51/202395951.db2.gz XZOYNEMONYWAFP-UHFFFAOYSA-N 0 3 333.359 2.739 40 0 EFABHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2c[nH]nc2C)CC1 ZINC000078553354 202396239 /nfs/dbraw/zinc/39/62/39/202396239.db2.gz YXGKRWHGMAHQST-HNNXBMFYSA-N 0 3 345.466 2.850 40 0 EFABHN Clc1cccc([C@@H](CNCc2cccnc2)N2CCOCC2)c1 ZINC000078553694 202396385 /nfs/dbraw/zinc/39/63/85/202396385.db2.gz CIWRHUXTIOENBN-GOSISDBHSA-N 0 3 331.847 2.898 40 0 EFABHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CCCn1ccnc1 ZINC000076387731 202387287 /nfs/dbraw/zinc/38/72/87/202387287.db2.gz CZVSGWYSUOBCKO-GOSISDBHSA-N 0 3 340.471 2.786 40 0 EFABHN Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@H]2CCN(CC3CC3)C2)s1 ZINC000076981454 202389426 /nfs/dbraw/zinc/38/94/26/202389426.db2.gz OEZHILIETPXKMN-WFASDCNBSA-N 0 3 336.505 2.947 40 0 EFABHN O=C(NC1CCN(CCc2ccncc2)CC1)c1c(F)cccc1F ZINC000079335674 202432924 /nfs/dbraw/zinc/43/29/24/202432924.db2.gz PEHATEOYRXYVSL-UHFFFAOYSA-N 0 3 345.393 2.797 40 0 EFABHN COc1ccc(CN2C[C@@H]3CN(CC(C)C)CCN3C(C)(C)C2)cc1 ZINC000253399863 201186370 /nfs/dbraw/zinc/18/63/70/201186370.db2.gz KBXBGSJIBOCERN-IBGZPJMESA-N 0 3 345.531 2.932 40 0 biogenic,in-vitro EFABHN Cc1cc(NCc2cncn2C)cc(N2CCN(C(C)C)CC2)c1 ZINC000191679273 239248755 /nfs/dbraw/zinc/24/87/55/239248755.db2.gz JFOHZIVSAHAOOW-UHFFFAOYSA-N 0 3 327.476 2.871 40 0 EFABHN COCCN1CCC(CNC(=O)c2c(F)cccc2Cl)CC1 ZINC000023127926 212352775 /nfs/dbraw/zinc/35/27/75/212352775.db2.gz WVLHDEGIPPQJGD-UHFFFAOYSA-N 0 3 328.815 2.567 40 0 EFABHN NCc1cn(-c2ccccc2C(=O)NCc2ccccc2Cl)cn1 ZINC000257339433 240312522 /nfs/dbraw/zinc/31/25/22/240312522.db2.gz ZBSIOIQMGFBKIE-UHFFFAOYSA-N 0 3 340.814 2.914 40 0 EFABHN C[C@@H]1Cc2ccccc2N1C(=O)CNC[C@@H](c1ccccc1)N(C)C ZINC000022029783 212272953 /nfs/dbraw/zinc/27/29/53/212272953.db2.gz AJSDXPFEUQMXMR-UZLBHIALSA-N 0 3 337.467 2.857 40 0 EFABHN CC(=O)c1ccc(NC(=O)CNC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000022030006 212272796 /nfs/dbraw/zinc/27/27/96/212272796.db2.gz GUJKJEIBMNQZDX-IBGZPJMESA-N 0 3 339.439 2.720 40 0 EFABHN Fc1cccnc1OC1CCN(CCCO[C@@H]2CCCCO2)CC1 ZINC000225773071 242028281 /nfs/dbraw/zinc/02/82/81/242028281.db2.gz FDPXZGLDKNNYGF-QGZVFWFLSA-N 0 3 338.423 2.997 40 0 EFABHN CCCc1nnc(NC(=O)[C@@H]2CN(C)C[C@@H]2c2ccccc2)s1 ZINC000226751531 242113055 /nfs/dbraw/zinc/11/30/55/242113055.db2.gz WCHLFBAYCSVPQD-ZIAGYGMSSA-N 0 3 330.457 2.775 40 0 EFABHN Cc1nsc(N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000242346994 243020005 /nfs/dbraw/zinc/02/00/05/243020005.db2.gz ZKXPETXMHOPZPO-QGZVFWFLSA-N 0 3 346.500 2.728 40 0 EFABHN Fc1ccc(OCCN2CCN(C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000091676193 203075370 /nfs/dbraw/zinc/07/53/70/203075370.db2.gz YLJBMXFCYCNCCP-AWEZNQCLSA-N 0 3 342.842 2.512 40 0 EFABHN C[C@H]1CN(CC2CCN(c3nnc(C(F)F)s3)CC2)C[C@H](C)O1 ZINC000091478557 203075864 /nfs/dbraw/zinc/07/58/64/203075864.db2.gz AXMATYLRYYJTOV-QWRGUYRKSA-N 0 3 346.447 2.801 40 0 EFABHN C[C@@H]1CN(CC2CCN(c3nnc(C(F)F)s3)CC2)C[C@H](C)O1 ZINC000091478551 203076047 /nfs/dbraw/zinc/07/60/47/203076047.db2.gz AXMATYLRYYJTOV-PHIMTYICSA-N 0 3 346.447 2.801 40 0 EFABHN Cc1cc(F)ccc1CN1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000091921203 203078919 /nfs/dbraw/zinc/07/89/19/203078919.db2.gz IVSOHUQBXZQAJS-HOTGVXAUSA-N 0 3 348.462 2.982 40 0 EFABHN c1cc2n(c1)C[C@H](OCc1ccccn1)CN(CC1CCOCC1)C2 ZINC000253588481 244024723 /nfs/dbraw/zinc/02/47/23/244024723.db2.gz FERCLAANGGFDCA-HXUWFJFHSA-N 0 3 341.455 2.711 40 0 EFABHN CC(C)Cc1nsc(NC2CCN([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000253630083 244042292 /nfs/dbraw/zinc/04/22/92/244042292.db2.gz AKTKPKTVSJGYAP-HUUCEWRRSA-N 0 3 338.521 2.916 40 0 EFABHN CNc1cc(C)nc([C@H]2CN(C(=O)c3ccccc3OC)CCO2)c1 ZINC000257200745 244119110 /nfs/dbraw/zinc/11/91/10/244119110.db2.gz AETAUBRFUIINKG-GOSISDBHSA-N 0 3 341.411 2.654 40 0 EFABHN CC(=O)N[C@@H]1C[C@H](c2ccc(OCCN(C)C)cc2)O[C@@H]2CCC[C@H]21 ZINC000257203046 244124364 /nfs/dbraw/zinc/12/43/64/244124364.db2.gz AOKQAWWSQDTFBB-MTQWCTHYSA-N 0 3 346.471 2.762 40 0 EFABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccc(F)cc3)CCO2)n1 ZINC000257215004 244163319 /nfs/dbraw/zinc/16/33/19/244163319.db2.gz COGUSOFBGDSDJK-GOSISDBHSA-N 0 3 343.402 2.809 40 0 EFABHN C[C@]12CCN(CCOc3cccc(C(F)(F)F)c3)[C@H]1CCC(=O)N2 ZINC000257226509 244202085 /nfs/dbraw/zinc/20/20/85/244202085.db2.gz FKWXRWIPONXWJC-HOCLYGCPSA-N 0 3 342.361 2.827 40 0 EFABHN Cc1cccc2nc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)N4C)cn21 ZINC000257220067 244182371 /nfs/dbraw/zinc/18/23/71/244182371.db2.gz DJJSSUBZSNOMHL-REGYPHIPSA-N 0 3 338.455 2.730 40 0 EFABHN COc1cccc(CN2C[C@@H]3[C@H](Nc4cccnn4)CC[C@@H]3C2)c1F ZINC000257246258 244258529 /nfs/dbraw/zinc/25/85/29/244258529.db2.gz ITICGDSYLDYPLW-VNQPRFMTSA-N 0 3 342.418 2.947 40 0 EFABHN CCc1nccn1-c1nccnc1C1CCN(Cc2ccccn2)CC1 ZINC000072350566 203204486 /nfs/dbraw/zinc/20/44/86/203204486.db2.gz HZMDXIVQOURJPM-UHFFFAOYSA-N 0 3 348.454 2.999 40 0 EFABHN Cc1nc(Nc2cnccn2)cc([C@H]2CCCN2C2CCOCC2)n1 ZINC000072360364 203204703 /nfs/dbraw/zinc/20/47/03/203204703.db2.gz OFVAOTCBTIVOMY-MRXNPFEDSA-N 0 3 340.431 2.635 40 0 EFABHN CC(C)(N)C(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072363062 203206572 /nfs/dbraw/zinc/20/65/72/203206572.db2.gz SMUBFVOOAOCVJJ-CQSZACIVSA-N 0 3 340.427 2.712 40 0 EFABHN NC(=O)[C@@]1(CCCc2ccccn2)CCCN(Cc2ccncc2)C1 ZINC000072367237 203207331 /nfs/dbraw/zinc/20/73/31/203207331.db2.gz CLUMCUWEEMTOOK-FQEVSTJZSA-N 0 3 338.455 2.567 40 0 EFABHN Cc1noc(C)c1-c1cc(C[C@H]2CCN(Cc3cnc[nH]3)C2)ncn1 ZINC000257247030 244261724 /nfs/dbraw/zinc/26/17/24/244261724.db2.gz IXBVPMYUJVTCEN-CQSZACIVSA-N 0 3 338.415 2.536 40 0 EFABHN CC(=O)N1Cc2cc(C)ccc2OC2(CCN(CC3CC3)CC2)C1 ZINC000072394404 203213150 /nfs/dbraw/zinc/21/31/50/203213150.db2.gz FNVBPBQSYFUAQF-UHFFFAOYSA-N 0 3 328.456 2.981 40 0 EFABHN Cn1nc([C@H]2CCCN(Cc3cccc(F)c3)C2)c2nccnc21 ZINC000072393845 203213215 /nfs/dbraw/zinc/21/32/15/203213215.db2.gz BWXMEBICDHBSAB-AWEZNQCLSA-N 0 3 325.391 2.882 40 0 EFABHN O=c1cc([C@H]2CCC[N@H+](Cc3cccnc3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393074 203213306 /nfs/dbraw/zinc/21/33/06/203213306.db2.gz YBFVQCAKRUCDOQ-KRWDZBQOSA-N 0 3 347.422 2.607 40 0 EFABHN O=c1cc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393074 203213310 /nfs/dbraw/zinc/21/33/10/203213310.db2.gz YBFVQCAKRUCDOQ-KRWDZBQOSA-N 0 3 347.422 2.607 40 0 EFABHN Cc1cccc(CCNC(=O)c2cncc([C@H]3CCCN(C)C3)n2)c1 ZINC000257253900 244275156 /nfs/dbraw/zinc/27/51/56/244275156.db2.gz KASYUSKWCUJFTK-KRWDZBQOSA-N 0 3 338.455 2.567 40 0 EFABHN CC(=O)Nc1nc(C)c(-c2nccnc2[C@H]2CCCN(C)C2)s1 ZINC000257258245 244288072 /nfs/dbraw/zinc/28/80/72/244288072.db2.gz KSYKTLLOEAKMAI-LBPRGKRZSA-N 0 3 331.445 2.676 40 0 EFABHN Cc1ccc(CN2CCC[C@H]2c2nc(C)ncc2CN(C)C)cn1 ZINC000257257572 244288104 /nfs/dbraw/zinc/28/81/04/244288104.db2.gz KQEWLRKCJYAFIK-SFHVURJKSA-N 0 3 325.460 2.887 40 0 EFABHN NC(=O)[C@@]1(CCCc2ccccn2)CCCN(Cc2ccccn2)C1 ZINC000257265020 244357940 /nfs/dbraw/zinc/35/79/40/244357940.db2.gz LWYTYQRXSOZCMB-FQEVSTJZSA-N 0 3 338.455 2.567 40 0 EFABHN CC(C)Cc1cc(C(=O)N2CCC[C@@H]3N(C)CCC[C@@]32C)n(C)n1 ZINC000257273177 244382691 /nfs/dbraw/zinc/38/26/91/244382691.db2.gz NFOCKYHXPGXXIH-HKUYNNGSSA-N 0 3 332.492 2.708 40 0 EFABHN Cc1noc(C)c1CN1CCCC12CCN(Cc1csnn1)CC2 ZINC000096075288 203825142 /nfs/dbraw/zinc/82/51/42/203825142.db2.gz GUNXQNATNUJCOE-UHFFFAOYSA-N 0 3 347.488 2.774 40 0 EFABHN Cn1cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(C(F)(F)F)n1 ZINC000096493469 203893245 /nfs/dbraw/zinc/89/32/45/203893245.db2.gz LGMYJLYHTIZIQE-BNOWGMLFSA-N 0 3 329.366 2.876 40 0 EFABHN Cc1ccc(CN2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)s1 ZINC000107226330 204227633 /nfs/dbraw/zinc/22/76/33/204227633.db2.gz PZKZPORFVLMSDI-PBHICJAKSA-N 0 3 330.457 2.692 40 0 EFABHN Cc1ccc(CN2CC[C@@]3(C[C@@H](Nc4ncccc4F)CO3)C2)o1 ZINC000107728555 204245195 /nfs/dbraw/zinc/24/51/95/204245195.db2.gz CEUJYYKUQVHSDF-RDTXWAMCSA-N 0 3 331.391 2.968 40 0 EFABHN Cn1cc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CCCC3)C2)cn1 ZINC000107712125 204245949 /nfs/dbraw/zinc/24/59/49/204245949.db2.gz ADQWHPHVUMRGFK-PMACEKPBSA-N 0 3 347.503 2.998 40 0 EFABHN COc1ccc(CN2CCC3(CC(NC(=O)N(C)C)C3)CC2)cc1 ZINC000108533224 204265629 /nfs/dbraw/zinc/26/56/29/204265629.db2.gz FDBFPDWZNIIYEZ-UHFFFAOYSA-N 0 3 331.460 2.711 40 0 EFABHN Cc1cccnc1CN1CC[C@@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108532091 204266068 /nfs/dbraw/zinc/26/60/68/204266068.db2.gz LOQWFVZBCMTYCW-QAPCUYQASA-N 0 3 349.425 2.860 40 0 EFABHN Cc1cccc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CC(F)(F)C3)C2)n1 ZINC000108528759 204266240 /nfs/dbraw/zinc/26/62/40/204266240.db2.gz QOLSYEQQKSEEJX-SJLPKXTDSA-N 0 3 349.425 2.860 40 0 EFABHN O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CCN(Cc1cccnc1)C2 ZINC000108533290 204266354 /nfs/dbraw/zinc/26/63/54/204266354.db2.gz MFUPHFMPOXFAMN-FUHWJXTLSA-N 0 3 349.425 2.988 40 0 EFABHN CC(C)[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)N1CCCCC1 ZINC000048301464 204345747 /nfs/dbraw/zinc/34/57/47/204345747.db2.gz GAQJNQLSONIPGZ-CXAGYDPISA-N 0 3 345.443 2.855 40 0 EFABHN CC(C)[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)N1CCCCC1 ZINC000048301466 204346807 /nfs/dbraw/zinc/34/68/07/204346807.db2.gz GAQJNQLSONIPGZ-SUMWQHHRSA-N 0 3 345.443 2.855 40 0 EFABHN COc1ccccc1C1(CNC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000095393501 218325404 /nfs/dbraw/zinc/32/54/04/218325404.db2.gz PKCDYKBUNJFTLZ-UHFFFAOYSA-N 0 3 343.471 2.653 40 0 EFABHN CN(C)C/C=C/C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000095399367 218332686 /nfs/dbraw/zinc/33/26/86/218332686.db2.gz USDYWACAHVPLMJ-VMPITWQZSA-N 0 3 349.906 2.786 40 0 EFABHN Cc1ccc(C)c([C@@H](C)NCc2cnc(N3CCN(C)CC3)nc2)c1 ZINC000095416615 218355423 /nfs/dbraw/zinc/35/54/23/218355423.db2.gz VCBUIUFDCRSZQI-QGZVFWFLSA-N 0 3 339.487 2.696 40 0 EFABHN CSc1cccc(N(C(=O)c2ccnn2C)C2CCN(C)CC2)c1 ZINC000112247593 220272880 /nfs/dbraw/zinc/27/28/80/220272880.db2.gz GVMZVZFEUJRMCU-UHFFFAOYSA-N 0 3 344.484 2.883 40 0 EFABHN CN1CCC(C(=O)Nc2ccc(I)cc2)CC1 ZINC000174371884 207016757 /nfs/dbraw/zinc/01/67/57/207016757.db2.gz IKLLBWWPFXVXMC-UHFFFAOYSA-N 0 3 344.196 2.572 40 0 EFABHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCc1sc(C)nc1C ZINC000176504982 207233552 /nfs/dbraw/zinc/23/35/52/207233552.db2.gz RASLEFMJGSYVBU-CABCVRRESA-N 0 3 336.505 2.571 40 0 EFABHN CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H](O)c1ccco1 ZINC000096436072 218814348 /nfs/dbraw/zinc/81/43/48/218814348.db2.gz DCZPKESLTDWGOK-AWEZNQCLSA-N 0 3 328.368 2.551 40 0 EFABHN COc1ccccc1[C@H](C)CN[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000096491635 218868554 /nfs/dbraw/zinc/86/85/54/218868554.db2.gz GFQUEAKWQYVZPD-KMFMINBZSA-N 0 3 325.474 2.744 40 0 EFABHN CN(Cc1cc(Br)cc2c1OCC2)C[C@@H]1CCOC1 ZINC000097379062 219020525 /nfs/dbraw/zinc/02/05/25/219020525.db2.gz DZQDATOXPUTRJZ-NSHDSACASA-N 0 3 326.234 2.852 40 0 EFABHN CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216310 257688285 /nfs/dbraw/zinc/68/82/85/257688285.db2.gz XNGGSATWZRAWNC-MRXNPFEDSA-N 0 3 346.475 2.953 40 0 EFABHN CCN1CCN(c2ccc(NC(=O)c3cccs3)cc2N)CC1 ZINC000226263957 135592547 /nfs/dbraw/zinc/59/25/47/135592547.db2.gz BMQGDFJPKZAHRO-UHFFFAOYSA-N 0 3 330.457 2.725 40 0 EFABHN Cc1ccc(C2(C(=O)N(C)CCN3CCCCC3)CCOCC2)cc1 ZINC000019657469 292089280 /nfs/dbraw/zinc/08/92/80/292089280.db2.gz DEXSWKFQLNLOFJ-UHFFFAOYSA-N 0 3 344.499 2.988 40 0 EFABHN CO[C@H]1CCCOC12CCN(C(=O)c1ccc(CN(C)C)cc1)CC2 ZINC000257199806 286043396 /nfs/dbraw/zinc/04/33/96/286043396.db2.gz AAWYIWYMHGHAOI-SFHVURJKSA-N 0 3 346.471 2.548 40 0 EFABHN Cc1ccc(CNc2cccc(CN3CCC(C(N)=O)CC3)c2)o1 ZINC000122699632 222140122 /nfs/dbraw/zinc/14/01/22/222140122.db2.gz KJQCKADAFSSKBG-UHFFFAOYSA-N 0 3 327.428 2.897 40 0 EFABHN FC(F)(F)c1ccc(N2CC[C@@H](OCCN3CCCCC3)C2)nn1 ZINC000096489036 544559496 /nfs/dbraw/zinc/55/94/96/544559496.db2.gz MEBRCSVGINZYJF-CYBMUJFWSA-N 0 3 344.381 2.577 40 0 EFABHN Cc1nc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)no1 ZINC000096487573 544559630 /nfs/dbraw/zinc/55/96/30/544559630.db2.gz GCZFCTMEQCXHAP-UHFFFAOYSA-N 0 3 348.834 2.770 40 0 EFABHN CS(=O)(=O)[C@@H]1CCC[C@H](NCCOc2ccccc2Cl)C1 ZINC000281073785 273397877 /nfs/dbraw/zinc/39/78/77/273397877.db2.gz TYROQWVKWWUKLH-QWHCGFSZSA-N 0 3 331.865 2.664 40 0 EFABHN CCOc1ccc(CN2CC[C@@H](C(=O)N3CCCC3)C2)cc1OCC ZINC000286739584 274263208 /nfs/dbraw/zinc/26/32/08/274263208.db2.gz CCRFGCCFSJLSKH-QGZVFWFLSA-N 0 3 346.471 2.928 40 0 EFABHN CCOC(=O)c1cnc2c(cccc2C(C)C)c1N1CCNCC1 ZINC000062719811 276302212 /nfs/dbraw/zinc/30/22/12/276302212.db2.gz GHKAZAUACOLJAD-UHFFFAOYSA-N 0 3 327.428 2.945 40 0 EFABHN CN1CCC(N2CCOC[C@H]2c2nc(-c3ccccc3)c[nH]2)CC1 ZINC000067898605 277027228 /nfs/dbraw/zinc/02/72/28/277027228.db2.gz SHDTZDKYXWZTME-SFHVURJKSA-N 0 3 326.444 2.544 40 0 biogenic,in-vitro EFABHN Cc1cc(C(=O)N2Cc3ccnn3[C@H](CN3CCCC3)C2)sc1C ZINC000253599559 280345639 /nfs/dbraw/zinc/34/56/39/280345639.db2.gz RDALTSKJNZGRTB-MRXNPFEDSA-N 0 3 344.484 2.854 40 0 EFABHN Cc1cc(NCCNC(=S)Nc2ncccn2)c2ccccc2n1 ZINC000225216640 280626741 /nfs/dbraw/zinc/62/67/41/280626741.db2.gz IMHINFOXUNHYJG-UHFFFAOYSA-N 0 3 338.440 2.732 40 0 EFABHN Cc1ccc2c(n1)N(C)[C@H](CO)CCN(C1Cc3ccccc3C1)C2 ZINC000225495011 281136970 /nfs/dbraw/zinc/13/69/70/281136970.db2.gz YKWHYZJJPVPERI-IBGZPJMESA-N 0 3 337.467 2.560 40 0 biogenic,in-vitro EFABHN C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@H](C)C1 ZINC000104273652 289332061 /nfs/dbraw/zinc/33/20/61/289332061.db2.gz WFADLTDLKZGSOQ-DYWHQCQKSA-N 0 3 347.503 2.901 40 0 EFABHN C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H](C)C1 ZINC000104273647 289332344 /nfs/dbraw/zinc/33/23/44/289332344.db2.gz WFADLTDLKZGSOQ-GQYGNMKRSA-N 0 3 347.503 2.901 40 0 EFABHN COc1ccc2c3c1OC1=C[C@H](C(C)(C)O)C=C4[C@@H](C2)N(C)CC[C@]314 ZINC000096316429 295278464 /nfs/dbraw/zinc/27/84/64/295278464.db2.gz JSOHAHOCGKYFFC-MFLXSWDHSA-N 0 3 339.435 2.797 40 0 biogenic,in-vitro EFABHN O=C(N1CC[C@@H](N2CCCC2)C1)C1(c2cccc(F)c2)CCOCC1 ZINC000096403562 295578768 /nfs/dbraw/zinc/57/87/68/295578768.db2.gz NKYSXQXPUPTEKW-GOSISDBHSA-N 0 3 346.446 2.571 40 0 EFABHN Cc1cc(CCC(=O)NC(C)(C)CO)cc([C@H]2CCCN2C(C)C)n1 ZINC000072366896 301269326 /nfs/dbraw/zinc/26/93/26/301269326.db2.gz PVPZSTQPCJTEET-GOSISDBHSA-N 0 3 347.503 2.755 40 0 EFABHN Cc1cc(CCC(=O)NC(C)(C)CO)cc([C@@H]2CCCN2C(C)C)n1 ZINC000072366895 301269360 /nfs/dbraw/zinc/26/93/60/301269360.db2.gz PVPZSTQPCJTEET-SFHVURJKSA-N 0 3 347.503 2.755 40 0 EFABHN CCS(=O)(=O)C[C@@H](C)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000097230705 323213880 /nfs/dbraw/zinc/21/38/80/323213880.db2.gz HCARPXJLPRLOCA-ZIAGYGMSSA-N 0 3 344.908 2.722 40 0 EFABHN C[C@H](NCc1nc2ccccc2n1C1CC1)C1CCS(=O)(=O)CC1 ZINC000192727797 323481689 /nfs/dbraw/zinc/48/16/89/323481689.db2.gz BRLYIKBOFQPQSN-ZDUSSCGKSA-N 0 3 347.484 2.674 40 0 EFABHN CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccc(O)cc3)n2)cc1OC ZINC000095534243 473223139 /nfs/dbraw/zinc/22/31/39/473223139.db2.gz ILJFISXFNKARDB-MRXNPFEDSA-N 0 3 340.383 2.633 40 0 EFABHN CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000081792437 473253343 /nfs/dbraw/zinc/25/33/43/473253343.db2.gz NJNSQGPZYNBBMI-ZDUSSCGKSA-N 0 3 332.444 2.520 40 0 EFABHN CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000081792437 473253349 /nfs/dbraw/zinc/25/33/49/473253349.db2.gz NJNSQGPZYNBBMI-ZDUSSCGKSA-N 0 3 332.444 2.520 40 0 EFABHN Cc1cnc2n1CCN(C)C21CCN(Cc2ccc(F)cc2)CC1 ZINC000096037000 473259173 /nfs/dbraw/zinc/25/91/73/473259173.db2.gz WCRAAXFNRAPWBW-UHFFFAOYSA-N 0 3 328.435 2.767 40 0 EFABHN Cc1ccc(CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCC3)C2)s1 ZINC000096041145 473261544 /nfs/dbraw/zinc/26/15/44/473261544.db2.gz SJMULVMVLQLBMI-YESZJQIVSA-N 0 3 334.485 2.516 40 0 EFABHN CN(Cc1ccco1)[C@@H]1CN(CC2CCOCC2)C[C@@H]2CCCO[C@H]12 ZINC000096040678 473262318 /nfs/dbraw/zinc/26/23/18/473262318.db2.gz MNXOIORSYXLJPH-SXLOBPIMSA-N 0 3 348.487 2.617 40 0 EFABHN Cc1nc([C@@H]2C[C@H]3CN(Cc4ccc5ccccc5n4)C[C@H]3O2)n[nH]1 ZINC000096045885 473267305 /nfs/dbraw/zinc/26/73/05/473267305.db2.gz KQHVTUWPIOUYSO-JCGIZDLHSA-N 0 3 335.411 2.623 40 0 EFABHN Cc1nnc([C@@H]2C[C@H]3CN(Cc4ccc5ccccc5n4)C[C@H]3O2)[nH]1 ZINC000096045885 473267314 /nfs/dbraw/zinc/26/73/14/473267314.db2.gz KQHVTUWPIOUYSO-JCGIZDLHSA-N 0 3 335.411 2.623 40 0 EFABHN Cc1nnc([C@@H]2C[C@H]3C[N@H+](Cc4ccc5ccccc5n4)C[C@H]3O2)[n-]1 ZINC000096045885 473267322 /nfs/dbraw/zinc/26/73/22/473267322.db2.gz KQHVTUWPIOUYSO-JCGIZDLHSA-N 0 3 335.411 2.623 40 0 EFABHN Cc1nnc([C@@H]2C[C@H]3C[N@@H+](Cc4ccc5ccccc5n4)C[C@H]3O2)[n-]1 ZINC000096045885 473267330 /nfs/dbraw/zinc/26/73/30/473267330.db2.gz KQHVTUWPIOUYSO-JCGIZDLHSA-N 0 3 335.411 2.623 40 0 EFABHN O=C(c1cccnc1)N1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000096046667 473267913 /nfs/dbraw/zinc/26/79/13/473267913.db2.gz IKQFLBJGTKPZHW-UHFFFAOYSA-N 0 3 336.439 2.605 40 0 EFABHN CN(Cc1cccnc1)[C@@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096047973 473268394 /nfs/dbraw/zinc/26/83/94/473268394.db2.gz GHFCZYCTCSUJHM-SFHVURJKSA-N 0 3 341.455 2.930 40 0 EFABHN CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096048015 473269742 /nfs/dbraw/zinc/26/97/42/473269742.db2.gz RIFUSDVGRDOEIG-SFHVURJKSA-N 0 3 341.455 2.930 40 0 EFABHN c1cc(CN2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096048336 473271224 /nfs/dbraw/zinc/27/12/24/473271224.db2.gz YCWLQZVJFMNDNN-NVXWUHKLSA-N 0 3 330.457 2.774 40 0 EFABHN O=C1N(Cc2cccnc2)CC[C@@]12CCCN(Cc1ccco1)C2 ZINC000096048613 473271621 /nfs/dbraw/zinc/27/16/21/473271621.db2.gz LAYPXOUTCWGUNZ-LJQANCHMSA-N 0 3 325.412 2.689 40 0 EFABHN O=C1N(c2ccsc2)CC[C@@]12CCCN(CC1CCOCC1)C2 ZINC000096048765 473271824 /nfs/dbraw/zinc/27/18/24/473271824.db2.gz AXBILVDNNMIDHB-GOSISDBHSA-N 0 3 334.485 2.994 40 0 EFABHN Fc1ccc(CN2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096048353 473272169 /nfs/dbraw/zinc/27/21/69/473272169.db2.gz IYOXGKSTFBAMBO-HKUYNNGSSA-N 0 3 342.418 2.851 40 0 EFABHN CC(C)NC(=O)[C@H]1CN(Cc2ccc(F)cc2)CC12CCOCC2 ZINC000096052102 473275139 /nfs/dbraw/zinc/27/51/39/473275139.db2.gz GVFIONZMZNWWGQ-QGZVFWFLSA-N 0 3 334.435 2.579 40 0 EFABHN CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1cccs1)C2 ZINC000096050207 473273389 /nfs/dbraw/zinc/27/33/89/473273389.db2.gz HFMJLHNLRBLXQZ-IBGZPJMESA-N 0 3 341.480 2.671 40 0 EFABHN O=C1CCC2(CCN(Cc3ccncc3)CC2)N1Cc1ccncc1 ZINC000096049398 473274080 /nfs/dbraw/zinc/27/40/80/473274080.db2.gz AOENNSDZZURRFE-UHFFFAOYSA-N 0 3 336.439 2.634 40 0 EFABHN c1cc(CN2CCC[C@]3(C2)COCCN(c2cccnc2)C3)co1 ZINC000096049542 473274295 /nfs/dbraw/zinc/27/42/95/473274295.db2.gz NKCJUSHIGMYRGO-LJQANCHMSA-N 0 3 327.428 2.794 40 0 EFABHN O=C([C@@H]1CN(Cc2ccc(F)cc2)CC12CCOCC2)N1CCCC1 ZINC000096052186 473276206 /nfs/dbraw/zinc/27/62/06/473276206.db2.gz JUJRAZRCDMXFSD-SFHVURJKSA-N 0 3 346.446 2.677 40 0 EFABHN Cc1ccc(C(=O)N2C[C@@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)o1 ZINC000096053896 473276280 /nfs/dbraw/zinc/27/62/80/473276280.db2.gz SCLLUZLHCYEOKB-HOTGVXAUSA-N 0 3 328.387 2.931 40 0 EFABHN CC(C)NC(=O)[C@@H]1CN(Cc2ccc(F)cc2)CC12CCOCC2 ZINC000096052101 473277074 /nfs/dbraw/zinc/27/70/74/473277074.db2.gz GVFIONZMZNWWGQ-KRWDZBQOSA-N 0 3 334.435 2.579 40 0 EFABHN Cc1ccc(CN2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC000096055165 473278011 /nfs/dbraw/zinc/27/80/11/473278011.db2.gz SGCDWWBDNBSCNK-UYAOXDASSA-N 0 3 341.455 2.706 40 0 EFABHN C[C@@H](CN(C)C1CCN(C2CCC(C)CC2)CC1)CS(C)(=O)=O ZINC000096466202 473434953 /nfs/dbraw/zinc/43/49/53/473434953.db2.gz ZOFNTYGVYUKALI-PQUAAJSLSA-N 0 3 344.565 2.642 40 0 EFABHN c1cc(CN2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cs1 ZINC000096055163 473278847 /nfs/dbraw/zinc/27/88/47/473278847.db2.gz LVIVNCKPUBJPHE-RTBURBONSA-N 0 3 343.496 2.866 40 0 EFABHN O=C(c1cscn1)N1CC[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000096054145 473279912 /nfs/dbraw/zinc/27/99/12/473279912.db2.gz LFYXPLZGRFKCRM-HUUCEWRRSA-N 0 3 345.443 2.876 40 0 EFABHN Cc1ccc(CN2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)s1 ZINC000096057105 473280307 /nfs/dbraw/zinc/28/03/07/473280307.db2.gz OTXDUNHDKRBOJW-LESCRADOSA-N 0 3 334.485 2.658 40 0 EFABHN C[C@H]1N(CC2CC2)C(=O)COC12CCN(Cc1ccsc1)CC2 ZINC000096062242 473285221 /nfs/dbraw/zinc/28/52/21/473285221.db2.gz NXKACAMLEAFCGA-CQSZACIVSA-N 0 3 334.485 2.740 40 0 EFABHN Fc1ccc(CN2CCc3ncnc(N4CCCC4)c3CC2)cc1 ZINC000096058720 473283768 /nfs/dbraw/zinc/28/37/68/473283768.db2.gz MAXWMUJMJIRRGG-UHFFFAOYSA-N 0 3 326.419 2.817 40 0 EFABHN O=C(NCC1CC1)[C@@H]1CCC2(CCN(Cc3cccs3)CC2)O1 ZINC000096061161 473285117 /nfs/dbraw/zinc/28/51/17/473285117.db2.gz QXVNFUMUBPUUSF-INIZCTEOSA-N 0 3 334.485 2.788 40 0 EFABHN O=C(Nc1cccnc1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1 ZINC000096065530 473286951 /nfs/dbraw/zinc/28/69/51/473286951.db2.gz LBHNCFCVDKDCJH-BRWVUGGUSA-N 0 3 343.452 2.904 40 0 EFABHN Cn1cc(CN2CCC3(C[C@H](Oc4ccccc4)CO3)CC2)cn1 ZINC000096073198 473289912 /nfs/dbraw/zinc/28/99/12/473289912.db2.gz UGNFPMSNHOFMIF-SFHVURJKSA-N 0 3 327.428 2.623 40 0 EFABHN COCCO[C@@H]1CCN(Cc2cccc(C)n2)[C@H]1Cc1ccncc1 ZINC000096069881 473288716 /nfs/dbraw/zinc/28/87/16/473288716.db2.gz CCNIJKMJVPWTTG-VQTJNVASSA-N 0 3 341.455 2.634 40 0 EFABHN Cc1ccc(N2CC[C@@H]3CN(Cc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC000096081480 473294077 /nfs/dbraw/zinc/29/40/77/473294077.db2.gz JVVGHHGMZJBBJE-IAGOWNOFSA-N 0 3 326.419 2.882 40 0 EFABHN c1ccc(CN2CCC3(CO[C@@H](COc4ccccn4)C3)CC2)nc1 ZINC000096106202 473298791 /nfs/dbraw/zinc/29/87/91/473298791.db2.gz ITYDZTWAOWDMGM-GOSISDBHSA-N 0 3 339.439 2.927 40 0 EFABHN c1cncc(CN2CCC3(CO[C@H](COc4cccnc4)C3)CC2)c1 ZINC000096106089 473299099 /nfs/dbraw/zinc/29/90/99/473299099.db2.gz DNVUQOHEAUEJMI-IBGZPJMESA-N 0 3 339.439 2.927 40 0 EFABHN c1ccc(CN2CCC3(CO[C@H](COc4ccccn4)C3)CC2)nc1 ZINC000096106203 473299204 /nfs/dbraw/zinc/29/92/04/473299204.db2.gz ITYDZTWAOWDMGM-SFHVURJKSA-N 0 3 339.439 2.927 40 0 EFABHN Fc1cccc(CN2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)c1 ZINC000096108967 473301465 /nfs/dbraw/zinc/30/14/65/473301465.db2.gz XTMIDILHYGEVSR-UYAOXDASSA-N 0 3 342.414 2.886 40 0 EFABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1cc3ccccc3o1)CC[C@H]2OC ZINC000096108534 473301646 /nfs/dbraw/zinc/30/16/46/473301646.db2.gz LAQBZIRNBGCPRA-ZMSDIMECSA-N 0 3 328.412 2.614 40 0 EFABHN COc1ncccc1CNC[C@H]1COCc2nc3ccc(C)cc3n21 ZINC000096112839 473304971 /nfs/dbraw/zinc/30/49/71/473304971.db2.gz KSZOKLLGXJPQNC-HNNXBMFYSA-N 0 3 338.411 2.609 40 0 biogenic,in-vitro EFABHN c1cc(CN2CC[C@H]3OCC[C@@]3(COCc3ccncc3)C2)co1 ZINC000096110404 473303269 /nfs/dbraw/zinc/30/32/69/473303269.db2.gz POVBPWZBTCSEDF-MOPGFXCFSA-N 0 3 328.412 2.872 40 0 EFABHN Cn1cc(-c2cc(CN3CCC[C@@H]3C[C@H](O)c3ccco3)on2)cn1 ZINC000185023972 473303962 /nfs/dbraw/zinc/30/39/62/473303962.db2.gz MZIYYOPIOIVPCF-PBHICJAKSA-N 0 3 342.399 2.756 40 0 EFABHN CN(Cc1ccncc1)C1CC2(C1)CCN(c1ncc(F)cn1)CC2 ZINC000096159275 473319622 /nfs/dbraw/zinc/31/96/22/473319622.db2.gz ZSODQLGYVHKSJY-UHFFFAOYSA-N 0 3 341.434 2.892 40 0 EFABHN COCCN1CCC2(CCN(Cc3cc(C)cc(C)c3)CC2)C1=O ZINC000096157760 473315880 /nfs/dbraw/zinc/31/58/80/473315880.db2.gz PEIWJZJKRKXKDW-UHFFFAOYSA-N 0 3 330.472 2.764 40 0 EFABHN Cc1noc(C)c1CN1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC000096158987 473317587 /nfs/dbraw/zinc/31/75/87/473317587.db2.gz JOABSOGVIHIMQD-UHFFFAOYSA-N 0 3 342.443 2.558 40 0 EFABHN Fc1cnc(N2CCC[C@]3(CCN(Cc4cccnc4)C3)C2)nc1 ZINC000096158307 473318440 /nfs/dbraw/zinc/31/84/40/473318440.db2.gz WNKXQMLUKLXBNG-GOSISDBHSA-N 0 3 327.407 2.503 40 0 EFABHN Cc1ccc(CN2CCC3(CCN(c4cncnc4)C3=O)CC2)s1 ZINC000096157912 473318907 /nfs/dbraw/zinc/31/89/07/473318907.db2.gz NOGJBAXPVWVDJC-UHFFFAOYSA-N 0 3 342.468 2.866 40 0 EFABHN O=C1N(Cc2cccc(F)c2)CC[C@]12CCN(Cc1ccncc1)C2 ZINC000096159657 473319353 /nfs/dbraw/zinc/31/93/53/473319353.db2.gz DOVXFUYXEADFLK-FQEVSTJZSA-N 0 3 339.414 2.845 40 0 EFABHN Fc1ccccc1CO[C@@H]1C[C@H]2CN(Cc3ccccn3)CCN2C1 ZINC000096183568 473324909 /nfs/dbraw/zinc/32/49/09/473324909.db2.gz MVXXMXUNPGLFGX-RBUKOAKNSA-N 0 3 341.430 2.696 40 0 EFABHN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2ccsc2)n1 ZINC000096184193 473327080 /nfs/dbraw/zinc/32/70/80/473327080.db2.gz XKDKAEHIVITBTB-DLBZAZTESA-N 0 3 327.453 2.827 40 0 EFABHN O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccsc3)C[C@@H]21)c1ccco1 ZINC000096185472 473327481 /nfs/dbraw/zinc/32/74/81/473327481.db2.gz NSYVGADPZLYZTJ-YQQAZPJKSA-N 0 3 346.452 2.608 40 0 EFABHN Cc1ccc(CN2CCc3ccc(=O)n(Cc4cccnc4)c3CC2)o1 ZINC000096196710 473332274 /nfs/dbraw/zinc/33/22/74/473332274.db2.gz LXKXSQONELLZMG-UHFFFAOYSA-N 0 3 349.434 2.794 40 0 EFABHN Cc1ccc(CN2CC[C@H](OCC3CC3)[C@@H]2Cc2cnn(C)c2)o1 ZINC000096200689 473335053 /nfs/dbraw/zinc/33/50/53/473335053.db2.gz RWLYPCDITKTCEZ-OALUTQOASA-N 0 3 329.444 2.934 40 0 EFABHN Cc1ccc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2ccncc2)o1 ZINC000096199906 473335135 /nfs/dbraw/zinc/33/51/35/473335135.db2.gz RAZDPOPSJSBQIP-QGZVFWFLSA-N 0 3 325.412 2.621 40 0 EFABHN Cc1ccc(CN2CCC3(CC2)NC(=O)C[C@H]3c2ccncc2)o1 ZINC000096199905 473336182 /nfs/dbraw/zinc/33/61/82/473336182.db2.gz RAZDPOPSJSBQIP-KRWDZBQOSA-N 0 3 325.412 2.621 40 0 EFABHN Cc1cccc(CN2CCOC[C@@]3(CCN(Cc4ccco4)C3)C2)n1 ZINC000096202134 473336881 /nfs/dbraw/zinc/33/68/81/473336881.db2.gz AZZVLKHUSNNHAE-HXUWFJFHSA-N 0 3 341.455 2.708 40 0 EFABHN CN(C)[C@@H]1CCN(C(=O)c2ccccc2F)[C@H]1Cc1cccnc1 ZINC000096200851 473337201 /nfs/dbraw/zinc/33/72/01/473337201.db2.gz KRTLIXCRMUFTNA-MSOLQXFVSA-N 0 3 327.403 2.608 40 0 EFABHN CN(C)[C@@H]1CCN(C(=O)Cc2ccc(F)cc2)[C@H]1Cc1ccncc1 ZINC000096201007 473337692 /nfs/dbraw/zinc/33/76/92/473337692.db2.gz FLYPODCFMJHUEJ-MOPGFXCFSA-N 0 3 341.430 2.537 40 0 EFABHN c1cc(CN2CCOC[C@]3(CCN(Cc4cccnc4)C3)C2)cs1 ZINC000096202100 473338089 /nfs/dbraw/zinc/33/80/89/473338089.db2.gz GOFIWLHKZLSECT-IBGZPJMESA-N 0 3 343.496 2.868 40 0 EFABHN CN(C)[C@@H]1CCN(C(=O)c2ccc3[nH]ccc3c2)[C@H]1Cc1ccncc1 ZINC000096201006 473338881 /nfs/dbraw/zinc/33/88/81/473338881.db2.gz KCUNWEUJUVQELL-UXHICEINSA-N 0 3 348.450 2.950 40 0 EFABHN O=C(N[C@H]1CCO[C@]2(CCN(Cc3ccsc3)C2)C1)N1CCCC1 ZINC000096208184 473343735 /nfs/dbraw/zinc/34/37/35/473343735.db2.gz AAJQEBCHQCWKDK-FUHWJXTLSA-N 0 3 349.500 2.677 40 0 EFABHN c1csc(CN2CC[C@@]3(C2)CCC[C@H](CN2CCOCC2)O3)c1 ZINC000096207021 473341791 /nfs/dbraw/zinc/34/17/91/473341791.db2.gz AXDLWAAJHKDVQF-SJLPKXTDSA-N 0 3 336.501 2.594 40 0 EFABHN O=C(C[C@H]1C[C@H]2CN(Cc3cccs3)C[C@H]2O1)NCc1ccco1 ZINC000096207696 473342560 /nfs/dbraw/zinc/34/25/60/473342560.db2.gz SPJOIQNLNWSBCH-YSVLISHTSA-N 0 3 346.452 2.637 40 0 EFABHN COC[C@@H]1C(=O)N(CC2CC2)CC12CCN(Cc1cccs1)CC2 ZINC000096209176 473345050 /nfs/dbraw/zinc/34/50/50/473345050.db2.gz UFLHGPQZISXEQU-QGZVFWFLSA-N 0 3 348.512 2.845 40 0 EFABHN O=C(C[C@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@H]21)Nc1cccnc1 ZINC000096208674 473345510 /nfs/dbraw/zinc/34/55/10/473345510.db2.gz IDNVGSQIPKAFTO-KBAYOESNSA-N 0 3 341.411 2.540 40 0 EFABHN O=C(C[C@H]1OC[C@H]2CN(Cc3ccsc3)CC[C@@H]12)N1CCCC1 ZINC000096209127 473345761 /nfs/dbraw/zinc/34/57/61/473345761.db2.gz ZMVACJKZOQNMGG-BRWVUGGUSA-N 0 3 334.485 2.598 40 0 EFABHN O=C(N[C@@H]1COCCC12CCN(Cc1ccsc1)CC2)C1CC1 ZINC000096216951 473350421 /nfs/dbraw/zinc/35/04/21/473350421.db2.gz XPYBHFNEIYOMDJ-MRXNPFEDSA-N 0 3 334.485 2.645 40 0 EFABHN COc1ccccc1CN1C[C@H]2OC[C@@H](COc3ccncc3)[C@H]2C1 ZINC000096217197 473350607 /nfs/dbraw/zinc/35/06/07/473350607.db2.gz NPCQDDFTBQNUTF-YVWKXTFCSA-N 0 3 340.423 2.616 40 0 EFABHN Cc1cc(OC[C@H]2CO[C@@H]3CN(Cc4ccc[nH]4)C[C@H]23)cc(C)n1 ZINC000096219329 473351103 /nfs/dbraw/zinc/35/11/03/473351103.db2.gz ZWLXKGHFQKNBOQ-KFKAGJAMSA-N 0 3 327.428 2.552 40 0 EFABHN CN(Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(=O)C1CC1)CC2 ZINC000096221041 473353925 /nfs/dbraw/zinc/35/39/25/473353925.db2.gz LDEIXYRYWCSDGR-SFHVURJKSA-N 0 3 328.456 2.679 40 0 EFABHN Cn1cc(N2CC[C@@]3(CCCN(Cc4ccsc4)C3)C2=O)cn1 ZINC000096224625 473354931 /nfs/dbraw/zinc/35/49/31/473354931.db2.gz WZNLTOYESMDDDH-QGZVFWFLSA-N 0 3 330.457 2.501 40 0 EFABHN O=C1N(c2cncnc2)CC[C@@]12CCCN(Cc1ccc(F)cc1)C2 ZINC000096224581 473355330 /nfs/dbraw/zinc/35/53/30/473355330.db2.gz NFXLDMDEUSXKIS-LJQANCHMSA-N 0 3 340.402 2.635 40 0 EFABHN O=C1N(c2cncnc2)CC[C@@]12CCCN(Cc1ccsc1)C2 ZINC000096224561 473355368 /nfs/dbraw/zinc/35/53/68/473355368.db2.gz NDMXGLVRUUAIBV-QGZVFWFLSA-N 0 3 328.441 2.557 40 0 EFABHN Cc1ccc(CN2CC[C@@]3(C2)COCc2cnc(N(C)C)nc23)cc1 ZINC000096243980 473362738 /nfs/dbraw/zinc/36/27/38/473362738.db2.gz HCTCRCGJIQWVLP-HXUWFJFHSA-N 0 3 338.455 2.525 40 0 EFABHN CN(C)C(=O)C[C@@H]1CC2(CCN([C@@H]3CCOC3)CC2)c2ccccc21 ZINC000096241993 473362790 /nfs/dbraw/zinc/36/27/90/473362790.db2.gz WMALKUCGYCAAQO-IAGOWNOFSA-N 0 3 342.483 2.775 40 0 EFABHN O=C(Cc1ccsc1)N1CCC[C@]2(C1)COCCN(CC1CC1)C2 ZINC000096228806 473358910 /nfs/dbraw/zinc/35/89/10/473358910.db2.gz RQVVAZQGUQZZEC-IBGZPJMESA-N 0 3 348.512 2.642 40 0 EFABHN CCN1CCOC[C@@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096228863 473359492 /nfs/dbraw/zinc/35/94/92/473359492.db2.gz DVBFFPDRUBGLLJ-FQEVSTJZSA-N 0 3 341.455 2.742 40 0 EFABHN COc1ccc2c3c1O[C@@]1(C)C(OC)=CC=C4[C@@H](C2)N(C)CC[C@@]341 ZINC000096316372 473375513 /nfs/dbraw/zinc/37/55/13/473375513.db2.gz KMOSBWXKMZKJPU-UAOJZALGSA-N 0 3 325.408 2.815 40 0 biogenic,in-vitro EFABHN C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCSCC2)CC1 ZINC000096407820 473385561 /nfs/dbraw/zinc/38/55/61/473385561.db2.gz DPSAJCZRIYADQL-HNNXBMFYSA-N 0 3 333.501 2.970 40 0 EFABHN CN(C)CCOc1ccc(NC(=O)C[C@H]2CCCO2)cc1Cl ZINC000096408509 473387187 /nfs/dbraw/zinc/38/71/87/473387187.db2.gz WMHCQBGTFFALIF-CYBMUJFWSA-N 0 3 326.824 2.788 40 0 EFABHN CCN1CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000000390428 471354781 /nfs/dbraw/zinc/35/47/81/471354781.db2.gz OJYOTLHNSMYONM-LJQANCHMSA-N 0 3 339.435 2.950 40 0 EFABHN O=C(O[C@@H]1CN2CCC1CC2)[C@](O)(C1=CCCC1)c1ccccc1 ZINC000001641827 471395151 /nfs/dbraw/zinc/39/51/51/471395151.db2.gz HRGZDUGJXKGXRU-UYAOXDASSA-N 0 3 327.424 2.622 40 0 EFABHN CC(=O)c1ccccc1OC[C@@H](O)CN1C(C)(C)CC(O)CC1(C)C ZINC000002701404 471417413 /nfs/dbraw/zinc/41/74/13/471417413.db2.gz MBANWQYXUIBFPL-INIZCTEOSA-N 0 3 349.471 2.643 40 0 EFABHN COc1cc2c(cc1[O-])c[n+](C)cc2Cc1ccc(OC)c(O)c1 ZINC000003847284 471455698 /nfs/dbraw/zinc/45/56/98/471455698.db2.gz HGJBJVFLPXTGAF-UHFFFAOYSA-O 0 3 326.372 2.684 40 0 EFABHN COc1ccc(CNCc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000004160547 471459799 /nfs/dbraw/zinc/45/97/99/471459799.db2.gz WQSJKRIMHRZYQN-UHFFFAOYSA-N 0 3 338.363 2.555 40 0 EFABHN O[C@H](CNC[C@H]1COc2ccccc2O1)COc1ccc(Cl)cc1 ZINC000004866859 471478073 /nfs/dbraw/zinc/47/80/73/471478073.db2.gz BADSCWFHJCUJTF-ZBFHGGJFSA-N 0 3 349.814 2.509 40 0 EFABHN COC(=O)[C@@H](c1ccccc1)C1(O)CCN(Cc2ccccc2)CC1 ZINC000006384833 471543456 /nfs/dbraw/zinc/54/34/56/471543456.db2.gz UHQATSRWAFZSAY-LJQANCHMSA-N 0 3 339.435 2.970 40 0 EFABHN COc1ccc([C@@H](Cc2ccccc2Cl)N(CCO)CCO)cc1 ZINC000006484441 471546685 /nfs/dbraw/zinc/54/66/85/471546685.db2.gz OAZIQQIZCPUIDD-LJQANCHMSA-N 0 3 349.858 2.919 40 0 EFABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000006953141 471580566 /nfs/dbraw/zinc/58/05/66/471580566.db2.gz GTGLRJXSTVNYAM-SNVBAGLBSA-N 0 3 344.242 2.532 40 0 EFABHN COc1ccc(CNC(=S)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000007637296 471625821 /nfs/dbraw/zinc/62/58/21/471625821.db2.gz VHYBDAZDVJOIPA-GOSISDBHSA-N 0 3 343.496 2.962 40 0 EFABHN COc1ccc(CNC(=S)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000007637288 471626080 /nfs/dbraw/zinc/62/60/80/471626080.db2.gz VHYBDAZDVJOIPA-SFHVURJKSA-N 0 3 343.496 2.962 40 0 EFABHN NC(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000009062860 471709132 /nfs/dbraw/zinc/70/91/32/471709132.db2.gz RMBGTLJORZVRKZ-UHFFFAOYSA-N 0 3 337.423 2.636 40 0 EFABHN Cc1cc(C[C@@H]2COC[C@H]2NCc2c[nH]nc2-c2cccs2)on1 ZINC000012128455 471764721 /nfs/dbraw/zinc/76/47/21/471764721.db2.gz MQWCYUBCYXAUNT-IUODEOHRSA-N 0 3 344.440 2.782 40 0 EFABHN CCc1n[nH]c(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)c1C ZINC000012147299 471766987 /nfs/dbraw/zinc/76/69/87/471766987.db2.gz NURCLULIPBMRDN-KRWDZBQOSA-N 0 3 344.434 2.987 40 0 EFABHN Cc1cc(C)n(CCNCc2cc(-c3ccc(F)cc3)c[nH]c2=O)n1 ZINC000012184784 471767423 /nfs/dbraw/zinc/76/74/23/471767423.db2.gz GQWXWNINPWJXPD-UHFFFAOYSA-N 0 3 340.402 2.784 40 0 EFABHN C[C@H]1Cc2cc([C@@H](O)CN3CCCCC3)ccc2N1C(=O)C1CC1 ZINC000012181027 471767637 /nfs/dbraw/zinc/76/76/37/471767637.db2.gz XYHKPTLJDNZHQN-LIRRHRJNSA-N 0 3 328.456 2.894 40 0 EFABHN COc1ccccc1[C@@]1(O)CCCN(C[C@@H](O)c2ccc(F)cc2)C1 ZINC000012292391 471770906 /nfs/dbraw/zinc/77/09/06/471770906.db2.gz IEXJXWCUJQTYAV-UYAOXDASSA-N 0 3 345.414 2.851 40 0 EFABHN COc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000012327759 471772539 /nfs/dbraw/zinc/77/25/39/471772539.db2.gz LYPAUJAVJMFIOB-GOSISDBHSA-N 0 3 345.414 2.851 40 0 EFABHN CC(C)OC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C ZINC000013447516 471829730 /nfs/dbraw/zinc/82/97/30/471829730.db2.gz NGJWCZYRIKMKEP-VVLHAWIVSA-N 0 3 331.412 2.646 40 0 in-vitro EFABHN C1CC2CCC1CN([C@H]1CO[C@H](N3CC4CCC(CC4)C3)CO1)C2 ZINC000016927501 471952265 /nfs/dbraw/zinc/95/22/65/471952265.db2.gz KMYPMHHZMQKXPU-LRSVDANFSA-N 0 3 334.504 2.929 40 0 EFABHN CCCCC(=O)NC(=S)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000017072460 471956099 /nfs/dbraw/zinc/95/60/99/471956099.db2.gz HFZLOZJKRWAMHZ-UHFFFAOYSA-N 0 3 348.516 2.832 40 0 EFABHN Cc1ccc(-n2ncc3c2ncnc3NCCN(C)C)cc1Cl ZINC000017120892 471957277 /nfs/dbraw/zinc/95/72/77/471957277.db2.gz HOGZOYJHPCIRJE-UHFFFAOYSA-N 0 3 330.823 2.751 40 0 EFABHN C[C@@H](Cn1cnc2ccccc21)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000019457737 471979906 /nfs/dbraw/zinc/97/99/06/471979906.db2.gz CYQUFWHZCIXFPK-JKSUJKDBSA-N 0 3 328.460 2.615 40 0 EFABHN c1ccc([C@@H]2CCCN(Cc3cnc(N4CCOCC4)nc3)C2)cc1 ZINC000019369960 471980029 /nfs/dbraw/zinc/98/00/29/471980029.db2.gz VDAIANPEOGZTFZ-LJQANCHMSA-N 0 3 338.455 2.693 40 0 EFABHN CCn1cncc1CN(Cc1ccccn1)C[C@H]1CCCN1CC ZINC000019578563 471981665 /nfs/dbraw/zinc/98/16/65/471981665.db2.gz VRODXLXMQPMBSJ-GOSISDBHSA-N 0 3 327.476 2.785 40 0 EFABHN CNCc1cc(NC)nc([C@H]2CCCN2Cc2ccccc2C)n1 ZINC000019760619 471984890 /nfs/dbraw/zinc/98/48/90/471984890.db2.gz HLNIEHCTRPBAMS-QGZVFWFLSA-N 0 3 325.460 2.883 40 0 EFABHN COC(=O)c1ccc(OC[C@H](O)CN[C@@H](C)c2ccccc2)cc1 ZINC000027530301 472179864 /nfs/dbraw/zinc/17/98/64/472179864.db2.gz RAAQWHZPYFVJFK-WMLDXEAASA-N 0 3 329.396 2.564 40 0 EFABHN COCCN1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000085467933 472250073 /nfs/dbraw/zinc/25/00/73/472250073.db2.gz PYTFDLJDAZQUBW-UHFFFAOYSA-N 0 3 331.243 2.834 40 0 EFABHN C[C@@H]1CN(C)CCN1CC1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000085468216 472251665 /nfs/dbraw/zinc/25/16/65/472251665.db2.gz VJCKBMUMTUHZDD-OAHLLOKOSA-N 0 3 349.906 2.828 40 0 EFABHN COc1cccc(CC(=O)N2CCCSC[C@H]2CN2CCCC2)c1 ZINC000085473200 472253227 /nfs/dbraw/zinc/25/32/27/472253227.db2.gz NJRVNAMDZPERLX-QGZVFWFLSA-N 0 3 348.512 2.668 40 0 EFABHN O=C(NCc1cccs1)N1CCCSC[C@@H]1CN1CCCC1 ZINC000085473243 472253542 /nfs/dbraw/zinc/25/35/42/472253542.db2.gz PDHKFAMJVPKFIP-AWEZNQCLSA-N 0 3 339.530 2.861 40 0 EFABHN CCN1CCN(CCCCNC(=O)Nc2cccc(Cl)c2)CC1 ZINC000031091906 472361755 /nfs/dbraw/zinc/36/17/55/472361755.db2.gz BGMJQNIRAJTEAV-UHFFFAOYSA-N 0 3 338.883 2.879 40 0 EFABHN CCN1CCN(CCNC(=O)Nc2cccc3ccccc32)CC1 ZINC000031794229 472395853 /nfs/dbraw/zinc/39/58/53/472395853.db2.gz KIJCQXNMVFTFDT-UHFFFAOYSA-N 0 3 326.444 2.599 40 0 EFABHN Cc1cc(F)ccc1S(=O)(=O)NCCCN1CCC[C@@H](C)C1 ZINC000045744730 472453070 /nfs/dbraw/zinc/45/30/70/472453070.db2.gz YVQCLFWAHQFHGW-CYBMUJFWSA-N 0 3 328.453 2.534 40 0 EFABHN CCS(=O)(=O)C[C@H](C)N[C@H]1CCCN(c2cc(C)ccc2F)C1 ZINC000097230726 472484288 /nfs/dbraw/zinc/48/42/88/472484288.db2.gz VACSYAVKZMDUEF-GJZGRUSLSA-N 0 3 342.480 2.516 40 0 EFABHN Cn1ccnc1C[C@H]1CCCN(Cc2ccc(N3CCCC3)nc2)C1 ZINC000097377017 472495265 /nfs/dbraw/zinc/49/52/65/472495265.db2.gz ASTWQBIAIVDVTB-QGZVFWFLSA-N 0 3 339.487 2.870 40 0 EFABHN Cc1nc(-c2cccc(CNC(=O)[C@H](C)N3[C@H](C)CC[C@@H]3C)c2)n[nH]1 ZINC000089897659 472538722 /nfs/dbraw/zinc/53/87/22/472538722.db2.gz QKUKMWDIVDITBL-MJBXVCDLSA-N 0 3 341.459 2.658 40 0 EFABHN COc1c(CN(C)C2CCN(Cc3ccccc3)CC2)c(C)nn1C ZINC000119322331 472545702 /nfs/dbraw/zinc/54/57/02/472545702.db2.gz CGWOKXJPGWPDFP-UHFFFAOYSA-N 0 3 342.487 2.834 40 0 EFABHN CN1CCC2(CC1)C[C@@H](NC(=O)c1ccco1)c1ccccc1O2 ZINC000072347137 472663868 /nfs/dbraw/zinc/66/38/68/472663868.db2.gz CYZDNMDQYWUVSI-OAHLLOKOSA-N 0 3 326.396 2.998 40 0 EFABHN COc1ccccc1[C@H](C)S(=O)(=O)C(C)C(=O)N1CCCCC1 ZINC000078822471 472776074 /nfs/dbraw/zinc/77/60/74/472776074.db2.gz JZCWYOAQOGFFOA-UONOGXRCSA-N 0 3 339.457 2.572 40 0 EFABHN Cc1cc(C(=O)NCC2(N[C@H](C)c3ccccc3)CCOCC2)on1 ZINC000079096196 472819248 /nfs/dbraw/zinc/81/92/48/472819248.db2.gz FUBTYDNVMMDIRR-OAHLLOKOSA-N 0 3 343.427 2.613 40 0 EFABHN Nc1ccc2c(c1)C=NCCN2C(=O)c1ccc(Br)o1 ZINC000073642559 472845733 /nfs/dbraw/zinc/84/57/33/472845733.db2.gz ATGIADWHNXZJMI-UHFFFAOYSA-N 0 3 334.173 2.704 40 0 EFABHN COCCN1CCC(NC(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000079330257 472848806 /nfs/dbraw/zinc/84/88/06/472848806.db2.gz SUDDLEZUFZLZOG-UHFFFAOYSA-N 0 3 345.270 2.763 40 0 EFABHN CCN1CCN(CCC(=O)N[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000079336608 472849464 /nfs/dbraw/zinc/84/94/64/472849464.db2.gz LAEKXBIFWWJFMG-IBGZPJMESA-N 0 3 331.504 2.918 40 0 EFABHN CCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)[C@@H](N)C(C)C ZINC000079391439 472856151 /nfs/dbraw/zinc/85/61/51/472856151.db2.gz GSXPGGCODLWPEZ-CABCVRRESA-N 0 3 341.496 2.608 40 0 EFABHN CC(C)[C@H](N)C(=O)N(Cc1ccc(Br)nc1)C(C)C ZINC000079421662 472861437 /nfs/dbraw/zinc/86/14/37/472861437.db2.gz IRKDTRKIBZWVGP-ZDUSSCGKSA-N 0 3 328.254 2.564 40 0 EFABHN CC(C)[C@H](N)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000079420671 472861595 /nfs/dbraw/zinc/86/15/95/472861595.db2.gz UVMUMJZAZAXEBO-AWEZNQCLSA-N 0 3 325.250 2.923 40 0 EFABHN COc1ccc(CCNC(=S)NC[C@@H](C)N2CCCC[C@@H]2C)cc1 ZINC000109030891 473075819 /nfs/dbraw/zinc/07/58/19/473075819.db2.gz FWSQFPQSUBOLNV-JKSUJKDBSA-N 0 3 349.544 2.965 40 0 EFABHN COC(=O)CN1CCC(N[C@H]2CCSc3ccc(F)cc32)CC1 ZINC000136317812 473151603 /nfs/dbraw/zinc/15/16/03/473151603.db2.gz TUTIMTCTUASVOG-HNNXBMFYSA-N 0 3 338.448 2.590 40 0 EFABHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)Cc1cccnc1 ZINC000110604461 473165567 /nfs/dbraw/zinc/16/55/67/473165567.db2.gz GNLSMPCFSDFWLS-FXAWDEMLSA-N 0 3 337.467 2.993 40 0 EFABHN COc1ncccc1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000110619626 473166400 /nfs/dbraw/zinc/16/64/00/473166400.db2.gz VDYFGYFKLJHHTM-CJNGLKHVSA-N 0 3 345.468 2.965 40 0 EFABHN CN1CCC[C@H](CN[C@H](C(N)=O)c2ccccc2)[C@H]1c1cccs1 ZINC000110636796 473167420 /nfs/dbraw/zinc/16/74/20/473167420.db2.gz MUAFWYMDBAZTJO-NJAFHUGGSA-N 0 3 343.496 2.947 40 0 EFABHN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@@]2(CCOC2)C1 ZINC000110677945 473170050 /nfs/dbraw/zinc/17/00/50/473170050.db2.gz WEVVDIYGADOERQ-FZKQIMNGSA-N 0 3 338.398 2.597 40 0 EFABHN Cc1cc(NC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)ccc1C(=O)N(C)C ZINC000110686017 473171423 /nfs/dbraw/zinc/17/14/23/473171423.db2.gz SNPZSEBPSANLSW-PBHICJAKSA-N 0 3 346.475 2.501 40 0 EFABHN COc1ncccc1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000096423083 473401512 /nfs/dbraw/zinc/40/15/12/473401512.db2.gz VDYFGYFKLJHHTM-CZUORRHYSA-N 0 3 345.468 2.965 40 0 EFABHN CCS[C@@H]1CCCCN(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000096435372 473414659 /nfs/dbraw/zinc/41/46/59/473414659.db2.gz IQKFFNMATVBTDF-CQSZACIVSA-N 0 3 339.509 2.584 40 0 EFABHN CN(C)CCn1ccc(NC(=O)NC(C)(C)c2cccc(F)c2)n1 ZINC000096435382 473414746 /nfs/dbraw/zinc/41/47/46/473414746.db2.gz GNYXAFVUDWUCNO-UHFFFAOYSA-N 0 3 333.411 2.641 40 0 EFABHN CCN1CCN(Cc2ccc(NC(=O)[C@@H]3CCCS3)cc2)CC1 ZINC000096436116 473414761 /nfs/dbraw/zinc/41/47/61/473414761.db2.gz NDKKZTXUBMIXHM-KRWDZBQOSA-N 0 3 333.501 2.658 40 0 EFABHN CCN1CCN(Cc2ccc(NC(=O)[C@H]3CCCS3)cc2)CC1 ZINC000096436117 473415225 /nfs/dbraw/zinc/41/52/25/473415225.db2.gz NDKKZTXUBMIXHM-QGZVFWFLSA-N 0 3 333.501 2.658 40 0 EFABHN CN(C)Cc1c2ccccc2oc1C(=O)NCCNc1ccccn1 ZINC000096435989 473415517 /nfs/dbraw/zinc/41/55/17/473415517.db2.gz FSWHSAFCXPRIAY-UHFFFAOYSA-N 0 3 338.411 2.731 40 0 EFABHN CCN1CCN(CCC(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000096445547 473424054 /nfs/dbraw/zinc/42/40/54/473424054.db2.gz FCALPMOWVWGKNR-OXJNMPFZSA-N 0 3 347.478 2.763 40 0 EFABHN Oc1cccc(CNCc2ccccc2CN2CCC(O)CC2)c1 ZINC000096453990 473429654 /nfs/dbraw/zinc/42/96/54/473429654.db2.gz MSBWMSZANZFINV-UHFFFAOYSA-N 0 3 326.440 2.639 40 0 EFABHN O=C(CCOC1CCOCC1)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000096460674 473433895 /nfs/dbraw/zinc/43/38/95/473433895.db2.gz HLIYOVZPQAJTFZ-KRWDZBQOSA-N 0 3 344.455 2.583 40 0 EFABHN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@]2(CCOC2)C1 ZINC000096461932 473435228 /nfs/dbraw/zinc/43/52/28/473435228.db2.gz WEVVDIYGADOERQ-ACJLOTCBSA-N 0 3 338.398 2.597 40 0 EFABHN C[C@@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc2c(c1)OCO2 ZINC000096479373 473441302 /nfs/dbraw/zinc/44/13/02/473441302.db2.gz LCBHFTPLFRMVNO-CJNGLKHVSA-N 0 3 330.428 2.857 40 0 EFABHN O=S1(=O)CCC[C@H](NCCCOc2ccc3ccccc3c2)C1 ZINC000096491697 473447475 /nfs/dbraw/zinc/44/74/75/473447475.db2.gz WOZZMLHHZTVXSH-KRWDZBQOSA-N 0 3 333.453 2.776 40 0 EFABHN CCc1nc(CCN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)sc1C ZINC000096491627 473447791 /nfs/dbraw/zinc/44/77/91/473447791.db2.gz WXRUSMMNUSJSMZ-KGLIPLIRSA-N 0 3 330.519 2.502 40 0 EFABHN COc1cc(-c2ccccc2)ccc1CNC[C@@H]1CCS(=O)(=O)C1 ZINC000096500607 473452455 /nfs/dbraw/zinc/45/24/55/473452455.db2.gz IEJVPZWHGMVKKS-HNNXBMFYSA-N 0 3 345.464 2.887 40 0 EFABHN Fc1ccc(-n2cc(CNC3CCN(C4CC4)CC3)nn2)cc1Cl ZINC000096501515 473453962 /nfs/dbraw/zinc/45/39/62/473453962.db2.gz GIDSAHHBEKMYCN-UHFFFAOYSA-N 0 3 349.841 2.776 40 0 EFABHN C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000096503120 473454928 /nfs/dbraw/zinc/45/49/28/473454928.db2.gz SGEJTEPXQJUNIM-GJYPPUQNSA-N 0 3 338.455 2.962 40 0 EFABHN O=C(Nc1ccc2nncn2c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000179628465 473699304 /nfs/dbraw/zinc/69/93/04/473699304.db2.gz BOEDAPMTJQUYTO-MRXNPFEDSA-N 0 3 335.411 2.580 40 0 EFABHN C[C@H](C(=O)N[C@H]1CC[C@H](O)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000245565352 473720728 /nfs/dbraw/zinc/72/07/28/473720728.db2.gz WQNADXJXJMDERL-NSISKUIASA-N 0 3 344.499 2.749 40 0 EFABHN Cc1cc(N2CC[C@H](NC[C@@H](C)c3cccc(Cl)c3)C2=O)n(C)n1 ZINC000188061015 473967664 /nfs/dbraw/zinc/96/76/64/473967664.db2.gz ODWZEEZHKXXFOL-WBMJQRKESA-N 0 3 346.862 2.881 40 0 EFABHN CNc1cc(N2CCC[C@H]2CN[C@@H](C)c2cccc(O)c2)ncn1 ZINC000194921529 473975295 /nfs/dbraw/zinc/97/52/95/473975295.db2.gz VVFGZQLJTZRXHY-ZFWWWQNUSA-N 0 3 327.432 2.544 40 0 EFABHN c1c[nH]c([C@H](N[C@H]2CCN(CC3CCCC3)C2)c2cccnc2)n1 ZINC000195049190 473998827 /nfs/dbraw/zinc/99/88/27/473998827.db2.gz WTTFEDYHWBMBPK-ZWKOTPCHSA-N 0 3 325.460 2.748 40 0 EFABHN Cc1ccccc1C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188174241 474008077 /nfs/dbraw/zinc/00/80/77/474008077.db2.gz USQWACXAUJNUNK-OAQYLSRUSA-N 0 3 338.451 2.704 40 0 EFABHN COC(=O)c1cccc(NC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1 ZINC000195529197 474089333 /nfs/dbraw/zinc/08/93/33/474089333.db2.gz ORKKBJFDLPYQPL-ZIAGYGMSSA-N 0 3 333.432 2.715 40 0 EFABHN CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000195530937 474090470 /nfs/dbraw/zinc/09/04/70/474090470.db2.gz HRZRBEIPJPMQGE-RTBURBONSA-N 0 3 330.472 2.926 40 0 EFABHN COc1ccc(NC(=O)C[C@@H]2CNCCO2)cc1Cc1ccccc1 ZINC000195543099 474092287 /nfs/dbraw/zinc/09/22/87/474092287.db2.gz CNZRMEZRFICFOV-GOSISDBHSA-N 0 3 340.423 2.603 40 0 EFABHN C[C@H](c1ccccc1)n1ccc(NC(=O)C[C@@H]2CSCCN2)n1 ZINC000195544105 474093553 /nfs/dbraw/zinc/09/35/53/474093553.db2.gz KGYYQIWCBVXLQE-UKRRQHHQSA-N 0 3 330.457 2.526 40 0 EFABHN Cc1ccc(CNC(=O)[C@@]2(C)CCCCN2)c(OC[C@H]2CCOC2)c1 ZINC000195556998 474095059 /nfs/dbraw/zinc/09/50/59/474095059.db2.gz SVCDHVLTFJEZPA-OXJNMPFZSA-N 0 3 346.471 2.559 40 0 EFABHN O=S1(=O)CC[C@H](NCCC[C@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000195568630 474097606 /nfs/dbraw/zinc/09/76/06/474097606.db2.gz RWPMSARSHJBIGH-PVAVHDDUSA-N 0 3 337.485 2.826 40 0 EFABHN COC(=O)c1cn(C(=O)C2COc3ccccc3O2)c2ccccc12 ZINC000222585852 474170685 /nfs/dbraw/zinc/17/06/85/474170685.db2.gz BSLVIQLNFWHPBG-KRWDZBQOSA-N 0 3 337.331 2.908 40 0 EFABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccs1 ZINC000223252802 474181616 /nfs/dbraw/zinc/18/16/16/474181616.db2.gz QJDOVPACXUQICN-HUUCEWRRSA-N 0 3 332.498 2.677 40 0 EFABHN COc1ccc(Cl)cc1S(=O)(=O)NCCCN1CCCCC1 ZINC000223262334 474181750 /nfs/dbraw/zinc/18/17/50/474181750.db2.gz MRMVXEFSCBMKJL-UHFFFAOYSA-N 0 3 346.880 2.503 40 0 EFABHN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)o1 ZINC000223252383 474182791 /nfs/dbraw/zinc/18/27/91/474182791.db2.gz RKHOSICRNLLGDG-HZPDHXFCSA-N 0 3 330.457 2.517 40 0 EFABHN CNCC(=O)N[C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000225471637 474214709 /nfs/dbraw/zinc/21/47/09/474214709.db2.gz SHFTUDUMIMANOW-ISVAXAHUSA-N 0 3 329.263 2.568 40 0 EFABHN N[C@H](CC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000225476523 474216926 /nfs/dbraw/zinc/21/69/26/474216926.db2.gz XOUZHTTVFNLXDP-QZTJIDSGSA-N 0 3 328.387 2.816 40 0 EFABHN COC(=O)C[C@]1(NCc2ccc3nc(C)ccc3c2)CCCOC1 ZINC000225481807 474217120 /nfs/dbraw/zinc/21/71/20/474217120.db2.gz SEWQXVYHHMTKKF-LJQANCHMSA-N 0 3 328.412 2.745 40 0 EFABHN CCN(CC)[C@@H](CNc1nc2c(cnn2C)c(N)n1)c1ccsc1 ZINC000225511191 474219063 /nfs/dbraw/zinc/21/90/63/474219063.db2.gz PNZKFQKNARSOMO-ZDUSSCGKSA-N 0 3 345.476 2.502 40 0 EFABHN CN(C)CCOc1ccc(NC(=O)C(C)(C)Br)cc1 ZINC000225594159 474227796 /nfs/dbraw/zinc/22/77/96/474227796.db2.gz QFCOUJJHCGYIFM-UHFFFAOYSA-N 0 3 329.238 2.739 40 0 EFABHN Cc1ncsc1CN(C)C[C@H]1CCN(c2nc(C(C)C)no2)C1 ZINC000225603265 474228567 /nfs/dbraw/zinc/22/85/67/474228567.db2.gz LRVLNAMKKHAXFQ-CYBMUJFWSA-N 0 3 335.477 2.916 40 0 EFABHN Cc1cc(C(=O)N2CCC(N3CCc4sccc4C3)CC2)no1 ZINC000225688528 474235311 /nfs/dbraw/zinc/23/53/11/474235311.db2.gz QNXYIVNFLMFPSO-UHFFFAOYSA-N 0 3 331.441 2.707 40 0 EFABHN CCc1cc(SCCN(C)Cc2ccccc2)n2ncnc2n1 ZINC000225713959 474238375 /nfs/dbraw/zinc/23/83/75/474238375.db2.gz HWBHUTMOLQNAES-UHFFFAOYSA-N 0 3 327.457 2.911 40 0 EFABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2ccccc2C)CC1 ZINC000226258494 474239800 /nfs/dbraw/zinc/23/98/00/474239800.db2.gz QHYYVZUCFHBTLN-UHFFFAOYSA-N 0 3 338.455 2.971 40 0 EFABHN CCN1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2N)CC1 ZINC000226265296 474240147 /nfs/dbraw/zinc/24/01/47/474240147.db2.gz HAQFKUXXRPTUGD-UHFFFAOYSA-N 0 3 338.455 2.971 40 0 EFABHN CCN1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2N)CC1 ZINC000226265309 474240310 /nfs/dbraw/zinc/24/03/10/474240310.db2.gz ZLVKTIQWZJGWSM-UHFFFAOYSA-N 0 3 338.455 2.971 40 0 EFABHN CN1CCc2nc([C@@H]3CCCN(C(=O)C[C@@H]4C=CCC4)C3)ncc2C1 ZINC000248026240 474246109 /nfs/dbraw/zinc/24/61/09/474246109.db2.gz MCBWIDSBSFPQDH-HZPDHXFCSA-N 0 3 340.471 2.527 40 0 EFABHN COc1ccc(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1C ZINC000230464392 474260757 /nfs/dbraw/zinc/26/07/57/474260757.db2.gz JSPOWVULJIRHAV-IAGOWNOFSA-N 0 3 331.460 2.629 40 0 EFABHN C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2N(C)Cc1cccnc1 ZINC000248128813 474263917 /nfs/dbraw/zinc/26/39/17/474263917.db2.gz PSMGYCXHCXOEDX-GYFISPQKSA-N 0 3 327.472 2.797 40 0 EFABHN CN(C)C[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2cncn21 ZINC000248138275 474269267 /nfs/dbraw/zinc/26/92/67/474269267.db2.gz SIUKPUFXHINZGM-OAHLLOKOSA-N 0 3 340.452 2.857 40 0 EFABHN COC[C@H](NC(=O)N1CCN2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000248734243 474419126 /nfs/dbraw/zinc/41/91/26/474419126.db2.gz NAKSYSRMAGIPPI-HOTGVXAUSA-N 0 3 337.851 2.517 40 0 EFABHN O=C(CN1CC[C@H]2CCCC[C@H]2C1)NC(=O)Nc1ccccc1F ZINC000245285592 474573245 /nfs/dbraw/zinc/57/32/45/474573245.db2.gz XWUQWDSRQZOLTG-KGLIPLIRSA-N 0 3 333.407 2.986 40 0 EFABHN COc1ccccc1[C@H](C)CN[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245289941 474573695 /nfs/dbraw/zinc/57/36/95/474573695.db2.gz GFQUEAKWQYVZPD-UKPHBRMFSA-N 0 3 325.474 2.744 40 0 EFABHN CCO[C@@H]1C[C@@H](N(C)C[C@H]2CCCS(=O)(=O)C2)C1(CC)CC ZINC000252490339 474674596 /nfs/dbraw/zinc/67/45/96/474674596.db2.gz KPYJNTFBBJAAGH-BZUAXINKSA-N 0 3 331.522 2.727 40 0 EFABHN CO[C@H](CN(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000252489978 474675550 /nfs/dbraw/zinc/67/55/50/474675550.db2.gz KGPAQTQHSRUBCN-RDTXWAMCSA-N 0 3 348.468 2.715 40 0 EFABHN CC(C)n1ncc(C(=O)NC(C)(C)CN(C)Cc2ccccc2)c1N ZINC000252497266 474680364 /nfs/dbraw/zinc/68/03/64/474680364.db2.gz QCQZAJAVWWBRJB-UHFFFAOYSA-N 0 3 343.475 2.687 40 0 EFABHN CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)[C@@H](N)C(C)C)CC1 ZINC000252518073 474693003 /nfs/dbraw/zinc/69/30/03/474693003.db2.gz ZGUQEAYRRWXYIK-KKUMJFAQSA-N 0 3 341.496 2.654 40 0 EFABHN O=S1(=O)CCCN1[C@@H]1CCCN(CCSC2CCCCC2)C1 ZINC000253398470 474737439 /nfs/dbraw/zinc/73/74/39/474737439.db2.gz RAYWELQYFDFJSX-OAHLLOKOSA-N 0 3 346.562 2.552 40 0 EFABHN COc1ccc(CN2C[C@@H]3CN(CC4CC4)CCN3C(C)(C)C2)cc1 ZINC000253408849 474740919 /nfs/dbraw/zinc/74/09/19/474740919.db2.gz YUOJBAPNADPGLM-IBGZPJMESA-N 0 3 343.515 2.686 40 0 biogenic,in-vitro EFABHN Cc1nnc2n1C1(CCN(Cc3cccc(Cl)c3)CC1)CN(C)C2 ZINC000306125414 474807105 /nfs/dbraw/zinc/80/71/05/474807105.db2.gz CPQAJHGFHWGOIB-UHFFFAOYSA-N 0 3 345.878 2.677 40 0 EFABHN O=C(C1CCC1)N1CC2(C1)C[C@H](COCC1CC1)CCN2CC1CC1 ZINC000306134007 474809411 /nfs/dbraw/zinc/80/94/11/474809411.db2.gz NBPZKFNJNOSTQA-GOSISDBHSA-N 0 3 346.515 2.916 40 0 EFABHN Cc1ccsc1CN1CCOC[C@H](CC(=O)N2CCCC2)[C@H]1C ZINC000306133934 474809514 /nfs/dbraw/zinc/80/95/14/474809514.db2.gz MZRGLIAIUITGEF-CVEARBPZSA-N 0 3 336.501 2.906 40 0 EFABHN CCCN1CCC[C@@H](c2ccnc3c(C(=O)NCC(C)C)cnn32)C1 ZINC000306132586 474810824 /nfs/dbraw/zinc/81/08/24/474810824.db2.gz LMYPFOFTKAHFPP-OAHLLOKOSA-N 0 3 343.475 2.705 40 0 EFABHN COc1cccc(O[C@H]2CCN(Cc3ncccc3C)CC[C@@H]2O)c1 ZINC000257229065 474926794 /nfs/dbraw/zinc/92/67/94/474926794.db2.gz FWOIJZDEFQRIOL-PMACEKPBSA-N 0 3 342.439 2.803 40 0 EFABHN Cc1ncsc1C(=O)N1CC[C@@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257283168 474929107 /nfs/dbraw/zinc/92/91/07/474929107.db2.gz OXAJCGDXFIQJIH-CYBMUJFWSA-N 0 3 330.457 2.851 40 0 EFABHN Cc1ncc(CN2CCNC[C@H]2c2ccc(OC(C)C)cc2)cn1 ZINC000257283548 474932817 /nfs/dbraw/zinc/93/28/17/474932817.db2.gz OYUQZAHYIVPTHW-IBGZPJMESA-N 0 3 326.444 2.719 40 0 EFABHN CN(Cc1cccc(CN2CCOCC2)c1)C[C@H](O)c1ccccc1 ZINC000257293366 474936931 /nfs/dbraw/zinc/93/69/31/474936931.db2.gz QPEBSYCGLBCWIH-NRFANRHFSA-N 0 3 340.467 2.684 40 0 EFABHN Cc1cccc(CN2CCOC[C@H](Cc3ccc4n[nH]cc4c3)C2)n1 ZINC000257296249 474939245 /nfs/dbraw/zinc/93/92/45/474939245.db2.gz RBXCFFJZLGWZOU-QGZVFWFLSA-N 0 3 336.439 2.957 40 0 EFABHN FC(F)(F)c1ccc(OCCc2cc([C@@H]3CNCCO3)n[nH]2)cc1 ZINC000257300137 474939917 /nfs/dbraw/zinc/93/99/17/474939917.db2.gz RTAXIDKCUHQRML-HNNXBMFYSA-N 0 3 341.333 2.711 40 0 EFABHN Cc1cc(C(F)F)n(CC(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C)n1 ZINC000257307715 474944570 /nfs/dbraw/zinc/94/45/70/474944570.db2.gz SZXSSVDYJRCKQX-YOEHRIQHSA-N 0 3 340.418 2.604 40 0 EFABHN Cc1cc(C(=O)N2CCC[C@H]2c2ccc(CN3CCCC3)cn2)no1 ZINC000257312444 474947612 /nfs/dbraw/zinc/94/76/12/474947612.db2.gz UNZCPJCTPROCQE-SFHVURJKSA-N 0 3 340.427 2.951 40 0 EFABHN COc1ccc2[nH]c(CN3CC[C@@]4(CCCO4)[C@@H](OC)C3)cc2c1 ZINC000257311287 474947689 /nfs/dbraw/zinc/94/76/89/474947689.db2.gz UIUBJOHWGHPWSO-OALUTQOASA-N 0 3 330.428 2.946 40 0 EFABHN Cc1nc([C@H]2CCCN2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000257311276 474948179 /nfs/dbraw/zinc/94/81/79/474948179.db2.gz UITJPRPFMTUSPZ-QGZVFWFLSA-N 0 3 336.439 2.731 40 0 EFABHN Cn1cccc1C(=O)N1CCC[C@H]1c1cccc(CN2CCCC2)n1 ZINC000257323665 474953774 /nfs/dbraw/zinc/95/37/74/474953774.db2.gz WLHJZBQKJWEKTP-SFHVURJKSA-N 0 3 338.455 2.993 40 0 EFABHN Nc1cc(CC[C@H]2CN(Cc3ccc4cc[nH]c4c3)CCO2)ccn1 ZINC000257325769 474954917 /nfs/dbraw/zinc/95/49/17/474954917.db2.gz WUIIKLITDAEHEU-SFHVURJKSA-N 0 3 336.439 2.979 40 0 EFABHN CC(=O)NCc1nccnc1C1CCN(Cc2ccsc2)CC1 ZINC000257329641 474956535 /nfs/dbraw/zinc/95/65/35/474956535.db2.gz XKVFCTPNVTWJJN-UHFFFAOYSA-N 0 3 330.457 2.554 40 0 EFABHN COc1cc(C)ccc1OCC(=O)N1CCC[C@@H]2N(C)CCC[C@@]21C ZINC000257330174 474957442 /nfs/dbraw/zinc/95/74/42/474957442.db2.gz XNFDIWSRZDXQQS-ICSRJNTNSA-N 0 3 346.471 2.858 40 0 EFABHN NCc1cc(NC(=O)[C@H]2CCc3c[nH]nc3C2)cc(C(F)(F)F)c1 ZINC000390833311 476805070 /nfs/dbraw/zinc/80/50/70/476805070.db2.gz FYLVYPQBBXPLSV-JTQLQIEISA-N 0 3 338.333 2.631 40 0 EFABHN C[C@H]1C[C@@H](NC(=O)Cc2cc(Br)ccc2F)CCN1C ZINC000390835083 476806010 /nfs/dbraw/zinc/80/60/10/476806010.db2.gz CGRYFZYUAWPFHG-GWCFXTLKSA-N 0 3 343.240 2.730 40 0 EFABHN O=C1N(Cc2cncs2)C[C@]12CCCN(CC1CC(F)(F)C1)C2 ZINC000585099704 479282692 /nfs/dbraw/zinc/28/26/92/479282692.db2.gz YTFXQPOCQWWYJF-OAHLLOKOSA-N 0 3 341.427 2.613 40 0 EFABHN Cc1cccnc1CN1CCC2(CC(NC(=O)OCCF)C2)CC1 ZINC000585103010 479283992 /nfs/dbraw/zinc/28/39/92/479283992.db2.gz KXIYNCALPWJGBG-UHFFFAOYSA-N 0 3 335.423 2.830 40 0 EFABHN Cn1cc(CN2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)cn1 ZINC000585103479 479284241 /nfs/dbraw/zinc/28/42/41/479284241.db2.gz BIGOQBSMSBKZAY-SFHVURJKSA-N 0 3 333.476 2.608 40 0 EFABHN Cn1cc(CN2CCC3(CC2)OCC[C@H]3CCOCC2CC2)cn1 ZINC000585103468 479284364 /nfs/dbraw/zinc/28/43/64/479284364.db2.gz BIGOQBSMSBKZAY-GOSISDBHSA-N 0 3 333.476 2.608 40 0 EFABHN CN(C)C1(CNC(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)CC1 ZINC000585140703 479298194 /nfs/dbraw/zinc/29/81/94/479298194.db2.gz JKQCUKTWINKWGY-UHFFFAOYSA-N 0 3 349.385 2.581 40 0 EFABHN CN(C)Cc1cnc([C@@H]2CN(Cc3ccc4[nH]ccc4c3)CCO2)[nH]1 ZINC000585182597 479303351 /nfs/dbraw/zinc/30/33/51/479303351.db2.gz XIIWGCDOLNKXDV-SFHVURJKSA-N 0 3 339.443 2.526 40 0 EFABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cccc3[nH]ccc32)c1 ZINC000585182489 479304108 /nfs/dbraw/zinc/30/41/08/479304108.db2.gz XNUZVUTYXLTQCY-FQEVSTJZSA-N 0 3 348.450 2.674 40 0 EFABHN Cc1cc(C)c(C)c(OC[C@@]2(O)COCCN(C3CCCC3)C2)c1 ZINC000585281598 479307929 /nfs/dbraw/zinc/30/79/29/479307929.db2.gz MKTOZBMBSMBPBN-FQEVSTJZSA-N 0 3 333.472 2.997 40 0 EFABHN CCC(CC)N1CCOC[C@@](O)(COc2ccc(Cl)cc2)C1 ZINC000585284336 479308577 /nfs/dbraw/zinc/30/85/77/479308577.db2.gz WYMURISXTXCMAV-QGZVFWFLSA-N 0 3 327.852 2.971 40 0 EFABHN CC(C)c1ncc(CNC[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 ZINC000585286000 479309217 /nfs/dbraw/zinc/30/92/17/479309217.db2.gz HALHEDBDWHODRY-BHIYHBOVSA-N 0 3 341.455 2.908 40 0 EFABHN O[C@@H]1[C@@H](CNCc2c[nH]cn2)CCC[C@H]1Oc1ccc(Cl)cc1 ZINC000585285432 479309349 /nfs/dbraw/zinc/30/93/49/479309349.db2.gz CWHAKGSRRMRFRT-CSMYWGQOSA-N 0 3 335.835 2.761 40 0 EFABHN O[C@@H]1[C@@H](CNCc2cnc[nH]2)CCC[C@H]1Oc1ccc(Cl)cc1 ZINC000585285432 479309356 /nfs/dbraw/zinc/30/93/56/479309356.db2.gz CWHAKGSRRMRFRT-CSMYWGQOSA-N 0 3 335.835 2.761 40 0 EFABHN CC(C)N1CCN([C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 ZINC000585289158 479309459 /nfs/dbraw/zinc/30/94/59/479309459.db2.gz FMBYOHHVVHZATC-IPMKNSEASA-N 0 3 336.451 2.513 40 0 EFABHN CO[C@@H]1CCN(C(=O)/C=C/CN(C)C)C[C@H]1Cc1ccc(C)cc1 ZINC000585289982 479310576 /nfs/dbraw/zinc/31/05/76/479310576.db2.gz PHTCABKMVQXJKO-ASIGSXEYSA-N 0 3 330.472 2.519 40 0 EFABHN CCOc1ccc(CN2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)cc1 ZINC000585291750 479311023 /nfs/dbraw/zinc/31/10/23/479311023.db2.gz CDEXCVPJEHDIMW-VAMGGRTRSA-N 0 3 345.414 2.546 40 0 EFABHN O=C(NCC1CCN([C@@H]2CCOC2)CC1)c1ccc(F)cc1Cl ZINC000575605987 479450430 /nfs/dbraw/zinc/45/04/30/479450430.db2.gz IUKBQCHUYMIRCQ-CQSZACIVSA-N 0 3 340.826 2.710 40 0 EFABHN O=C(CCCc1ccccc1)NCC1CCN([C@H]2CCOC2)CC1 ZINC000575608803 479451424 /nfs/dbraw/zinc/45/14/24/479451424.db2.gz VHVWCYBIYIZISU-IBGZPJMESA-N 0 3 330.472 2.626 40 0 EFABHN FC(F)(F)c1cnc(N2CCC(N3CCCOCC3)CC2)s1 ZINC000664010607 480969355 /nfs/dbraw/zinc/96/93/55/480969355.db2.gz FKQDESWQHJEOGM-UHFFFAOYSA-N 0 3 335.395 2.853 40 0 EFABHN C[C@@H](CN[C@@H](c1ccccc1)c1ccc(F)cn1)N1CCN(C)CC1 ZINC000183558209 534079431 /nfs/dbraw/zinc/07/94/31/534079431.db2.gz LTUVGCQXJXZCKZ-JXFKEZNVSA-N 0 3 342.462 2.536 40 0 EFABHN Cc1noc(C2CCN(CCC(=O)NCC3CCCCC3)CC2)n1 ZINC000066872412 526588513 /nfs/dbraw/zinc/58/85/13/526588513.db2.gz DOWJASOXIWKVDP-UHFFFAOYSA-N 0 3 334.464 2.644 40 0 EFABHN CCc1ccccc1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000195557806 535924474 /nfs/dbraw/zinc/92/44/74/535924474.db2.gz KMADVJFAYDUFBD-LJQANCHMSA-N 0 3 338.451 2.746 40 0 EFABHN CCc1cc(Cl)c(OC)c(C(=O)NC[C@H]2CCC[N@H+]2CC)c1[O-] ZINC000001997240 1094604935 /nfs/dbraw/zinc/60/49/35/1094604935.db2.gz AADCDMQTJNYOSS-GFCCVEGCSA-N 0 3 340.851 2.831 40 0 world EFABHN CCc1cc(Cl)c(OC)c(C(=O)NC[C@H]2CCC[N@@H+]2CC)c1[O-] ZINC000001997240 1094604944 /nfs/dbraw/zinc/60/49/44/1094604944.db2.gz AADCDMQTJNYOSS-GFCCVEGCSA-N 0 3 340.851 2.831 40 0 world EFABHN C[C@H](C(=O)NC(=O)NC1CCCC1)N(C)CCCc1ccccc1 ZINC000052802731 214146544 /nfs/dbraw/zinc/14/65/44/214146544.db2.gz NHABFBULDXJPGP-OAHLLOKOSA-N 0 3 331.460 2.708 40 0 EFABHN Cc1ccc(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)o1 ZINC000174857922 231325708 /nfs/dbraw/zinc/32/57/08/231325708.db2.gz KYNDUJXBGLVBRW-SFHVURJKSA-N 0 3 342.439 2.763 40 0 EFABHN CC1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000004279514 210159763 /nfs/dbraw/zinc/15/97/63/210159763.db2.gz KLYRCBSDCDYZGV-AWEZNQCLSA-N 0 3 328.250 2.921 40 0 EFABHN CC(C)Sc1ccccc1C(=O)NCCCN1CCN(C)CC1 ZINC000067509884 215155640 /nfs/dbraw/zinc/15/56/40/215155640.db2.gz WVWLXXWLRBWYIT-UHFFFAOYSA-N 0 3 335.517 2.554 40 0 EFABHN COc1ccccc1[C@@]1(O)CCCN(C[C@H](O)c2ccccc2)C1 ZINC000036741278 213116363 /nfs/dbraw/zinc/11/63/63/213116363.db2.gz DWRRNDHXFIIYEN-AZUAARDMSA-N 0 3 327.424 2.712 40 0 EFABHN COCCNc1ncccc1-c1noc([C@@H]2CCCN2CC2CC2)n1 ZINC000035424939 213027763 /nfs/dbraw/zinc/02/77/63/213027763.db2.gz DRZWVIBCCGIPQQ-HNNXBMFYSA-N 0 3 343.431 2.737 40 0 biogenic,in-vitro EFABHN COCCOc1cc(-c2noc([C@@H]3CCCN3CC(C)C)n2)ccn1 ZINC000035424789 213027425 /nfs/dbraw/zinc/02/74/25/213027425.db2.gz WKYVFKXSUZSQSP-HNNXBMFYSA-N 0 3 346.431 2.950 40 0 biogenic,in-vitro EFABHN COCCNc1ncccc1-c1noc([C@@H]2CCCN2CC(C)C)n1 ZINC000035424888 213027475 /nfs/dbraw/zinc/02/74/75/213027475.db2.gz ZGOXKBIRBDDVAW-HNNXBMFYSA-N 0 3 345.447 2.983 40 0 biogenic,in-vitro EFABHN CCc1nccn1-c1cncc([C@@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072355439 216165094 /nfs/dbraw/zinc/16/50/94/216165094.db2.gz ITGLBLUYPJMDHA-QGZVFWFLSA-N 0 3 348.454 2.999 40 0 EFABHN Cc1cc(-c2cnc(NCCN(C)C)nc2-c2ccc(C)o2)on1 ZINC000072340113 216158573 /nfs/dbraw/zinc/15/85/73/216158573.db2.gz SNHMJXCNNIQMJH-UHFFFAOYSA-N 0 3 327.388 2.982 40 0 EFABHN COC[C@H]1CN(CCc2ccccc2)CCN(C(=O)C2CCCC2)C1 ZINC000072354427 216161569 /nfs/dbraw/zinc/16/15/69/216161569.db2.gz TUIOGVRFHWPKRB-IBGZPJMESA-N 0 3 344.499 2.826 40 0 EFABHN CCc1nccn1-c1nccnc1[C@H]1CCCN(Cc2ccccn2)C1 ZINC000072350568 216162387 /nfs/dbraw/zinc/16/23/87/216162387.db2.gz VUAQAYPUXALVGN-INIZCTEOSA-N 0 3 348.454 2.999 40 0 EFABHN C[C@@H](CCO)[NH+]1CCC(c2csc([N-]c3cnccn3)n2)CC1 ZINC000072363699 216169924 /nfs/dbraw/zinc/16/99/24/216169924.db2.gz XUFKYDLIXXOOHH-LBPRGKRZSA-N 0 3 333.461 2.627 40 0 EFABHN CNCC(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3C)n2)C1 ZINC000072363309 216170504 /nfs/dbraw/zinc/17/05/04/216170504.db2.gz XIPMMQCBKFSNQO-OAHLLOKOSA-N 0 3 340.427 2.503 40 0 EFABHN Cc1cc(C(=O)NCc2ccccc2F)nc(C2CCN(C)CC2)n1 ZINC000072365910 216172160 /nfs/dbraw/zinc/17/21/60/216172160.db2.gz XVYCLHBYKUYOMB-UHFFFAOYSA-N 0 3 342.418 2.663 40 0 EFABHN CNc1cc(Nc2nccc([C@@H]3CCCN(C(C)C)C3)n2)ncn1 ZINC000072377459 216179485 /nfs/dbraw/zinc/17/94/85/216179485.db2.gz VGPHVEOIMHJAJB-CYBMUJFWSA-N 0 3 327.436 2.640 40 0 EFABHN CN(C)C(=O)c1c[nH]nc1C1(C)CCN(Cc2ccccc2)CC1 ZINC000072388869 216189154 /nfs/dbraw/zinc/18/91/54/216189154.db2.gz YDFJRZRLNMFGDH-UHFFFAOYSA-N 0 3 326.444 2.665 40 0 EFABHN O=c1cc(CN2CCC[C@@H]2C[C@@H](O)c2ccccc2)nc2ccccn12 ZINC000072867379 216322495 /nfs/dbraw/zinc/32/24/95/216322495.db2.gz VEOCNSWWVMSCTL-RTBURBONSA-N 0 3 349.434 2.783 40 0 EFABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccsc3)C[C@H]21)N1CCCC1 ZINC000096043320 296038962 /nfs/dbraw/zinc/03/89/62/296038962.db2.gz GATFATGCZUPUOX-IXDOHACOSA-N 0 3 334.485 2.598 40 0 EFABHN O=S(=O)([N-]CC1CC[NH+](C2CCCC2)CC1)c1cccs1 ZINC000023127588 212352731 /nfs/dbraw/zinc/35/27/31/212352731.db2.gz ZFVFABAYVCWPSX-UHFFFAOYSA-N 0 3 328.503 2.681 40 0 EFABHN Cc1ccccc1OCC(=O)NCC1CCN(Cc2ccco2)CC1 ZINC000023016753 212342594 /nfs/dbraw/zinc/34/25/94/212342594.db2.gz XLNRCMMBUYDLIO-UHFFFAOYSA-N 0 3 342.439 2.995 40 0 EFABHN C[C@@H](NC(=O)C[C@@H]1CNCCO1)c1cc(F)c(Cl)cc1Cl ZINC000252499639 240307736 /nfs/dbraw/zinc/30/77/36/240307736.db2.gz SDDHHVVWJBUFNQ-RKDXNWHRSA-N 0 3 335.206 2.688 40 0 EFABHN Cc1c[nH]c(-c2cc([C@H]3CCN(Cc4cccnc4)C3)nc(C)n2)n1 ZINC000257339427 240312810 /nfs/dbraw/zinc/31/28/10/240312810.db2.gz ZBRNJSCNKDOVNO-INIZCTEOSA-N 0 3 334.427 2.868 40 0 EFABHN C[C@H]1Cc2ccccc2N1C(=O)CNC[C@@H](c1ccccc1)N(C)C ZINC000022029780 212273249 /nfs/dbraw/zinc/27/32/49/212273249.db2.gz AJSDXPFEUQMXMR-JXFKEZNVSA-N 0 3 337.467 2.857 40 0 EFABHN C[C@@H]1Cc2ccccc2N1C(=O)CNC[C@H](c1ccccc1)N(C)C ZINC000022029789 212273062 /nfs/dbraw/zinc/27/30/62/212273062.db2.gz AJSDXPFEUQMXMR-OXQOHEQNSA-N 0 3 337.467 2.857 40 0 EFABHN COC[C@@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218048892 241293921 /nfs/dbraw/zinc/29/39/21/241293921.db2.gz MANRXEBQSVJHMS-FHWLQOOXSA-N 0 3 345.464 2.526 40 0 EFABHN CCO[C@H]1C[C@H](NCc2ccnn2-c2ccccc2)C12CCOCC2 ZINC000241969492 243008792 /nfs/dbraw/zinc/00/87/92/243008792.db2.gz UWQORDYKBWRBKB-OALUTQOASA-N 0 3 341.455 2.936 40 0 EFABHN C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000245289553 243102898 /nfs/dbraw/zinc/10/28/98/243102898.db2.gz CPOZXWSTQPAXDA-MNEFBYGVSA-N 0 3 345.487 2.631 40 0 EFABHN Cc1cn(C)c([C@@H]2CCCN(Cc3cnn4c3nc(C)cc4C)C2)n1 ZINC000257207851 244139553 /nfs/dbraw/zinc/13/95/53/244139553.db2.gz BJPKCWMXBYVKJZ-MRXNPFEDSA-N 0 3 338.459 2.768 40 0 EFABHN Cn1nccc1C(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C ZINC000257219595 244176405 /nfs/dbraw/zinc/17/64/05/244176405.db2.gz DHIPENQNQSOBLM-YTQUADARSA-N 0 3 338.455 2.860 40 0 EFABHN Cc1ccc(N(C)[C@H]2COC3(C2)CCN(Cc2c[nH]cn2)CC3)cc1 ZINC000257211540 244153286 /nfs/dbraw/zinc/15/32/86/244153286.db2.gz BZHMIQQIZZPUHV-LJQANCHMSA-N 0 3 340.471 2.978 40 0 EFABHN Cc1ccc(N(C)[C@H]2COC3(C2)CCN(Cc2cnc[nH]2)CC3)cc1 ZINC000257211540 244153292 /nfs/dbraw/zinc/15/32/92/244153292.db2.gz BZHMIQQIZZPUHV-LJQANCHMSA-N 0 3 340.471 2.978 40 0 EFABHN CNc1cc(C)nc([C@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000257211955 244154779 /nfs/dbraw/zinc/15/47/79/244154779.db2.gz CBFVFIWTFWYXCY-HNNXBMFYSA-N 0 3 325.412 2.827 40 0 EFABHN Cc1cnccc1CN1CCOC[C@H](Cc2nccn3cccc23)C1 ZINC000257231455 244214191 /nfs/dbraw/zinc/21/41/91/244214191.db2.gz GGTSFUMZKAJSRB-QGZVFWFLSA-N 0 3 336.439 2.729 40 0 EFABHN Cc1ccc(N(C)[C@@H]2CC[C@@H]3CN(Cc4cncs4)C[C@H]23)nn1 ZINC000257245212 244255467 /nfs/dbraw/zinc/25/54/67/244255467.db2.gz IONJZMYRVCVWEP-VNQPRFMTSA-N 0 3 329.473 2.588 40 0 EFABHN Cc1cncc([C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257239520 244237446 /nfs/dbraw/zinc/23/74/46/244237446.db2.gz HPSLIXMOFGQZLF-INIZCTEOSA-N 0 3 325.412 2.936 40 0 EFABHN Cc1cc(N)cc([C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)CCO2)n1 ZINC000257240031 244241654 /nfs/dbraw/zinc/24/16/54/244241654.db2.gz HRTQFFRMAIEVTQ-KRWDZBQOSA-N 0 3 345.830 2.768 40 0 EFABHN Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN4)nc32)cc1 ZINC000257241595 244244198 /nfs/dbraw/zinc/24/41/98/244244198.db2.gz HYQDVHYQBZJDEI-KRWDZBQOSA-N 0 3 336.439 2.997 40 0 EFABHN CNc1ncccc1CN1CCC[C@@H](c2ccnc(N(C)C)c2)C1 ZINC000257258344 244290428 /nfs/dbraw/zinc/29/04/28/244290428.db2.gz KTKRUDUXTRMUGB-MRXNPFEDSA-N 0 3 325.460 2.964 40 0 EFABHN CNc1cc(C)nc([C@H]2CN(C(=O)c3cccc(F)c3)CCO2)c1 ZINC000257268968 244370681 /nfs/dbraw/zinc/37/06/81/244370681.db2.gz MNZVZWHZAUGOLF-QGZVFWFLSA-N 0 3 329.375 2.785 40 0 EFABHN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CCCN(C2CCOCC2)CC1 ZINC000095405367 284138964 /nfs/dbraw/zinc/13/89/64/284138964.db2.gz DYDQLEBLACJIKA-RTBURBONSA-N 0 3 349.519 2.852 40 0 EFABHN Cc1cc(N)cc([C@H]2CN(C(=O)CCc3cccs3)CCO2)n1 ZINC000257263941 244355063 /nfs/dbraw/zinc/35/50/63/244355063.db2.gz LSDPQMDGQYEWGS-MRXNPFEDSA-N 0 3 331.441 2.566 40 0 EFABHN Cc1nc([C@@H]2CCCN2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000257311275 244492815 /nfs/dbraw/zinc/49/28/15/244492815.db2.gz UITJPRPFMTUSPZ-KRWDZBQOSA-N 0 3 336.439 2.731 40 0 EFABHN CCCn1ncc2ccc([C@@H]3CCCN(Cc4ccnn4C)C3)nc21 ZINC000019742356 212060587 /nfs/dbraw/zinc/06/05/87/212060587.db2.gz XPQRYXJLUJMKGT-MRXNPFEDSA-N 0 3 338.459 2.954 40 0 EFABHN CCCn1ncc2ccc([C@H]3CCCN(Cc4ccnn4C)C3)nc21 ZINC000019742358 212060225 /nfs/dbraw/zinc/06/02/25/212060225.db2.gz XPQRYXJLUJMKGT-INIZCTEOSA-N 0 3 338.459 2.954 40 0 EFABHN COCCN1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1 ZINC000019703665 212055612 /nfs/dbraw/zinc/05/56/12/212055612.db2.gz NNZNNXQXFKLBGP-QGZVFWFLSA-N 0 3 333.407 2.954 40 0 EFABHN CN1CC[C@H](c2ncc3c(n2)CCN(C(=O)CCC2CCCC2)C3)C1 ZINC000019587937 212048630 /nfs/dbraw/zinc/04/86/30/212048630.db2.gz FUGGSKLQNMFJDE-INIZCTEOSA-N 0 3 342.487 2.751 40 0 EFABHN CN1CCc2nc([C@H]3CCCN(C(=O)C[C@H]4C=CCC4)C3)ncc2C1 ZINC000019590377 212048252 /nfs/dbraw/zinc/04/82/52/212048252.db2.gz MCBWIDSBSFPQDH-HOTGVXAUSA-N 0 3 340.471 2.527 40 0 EFABHN COc1ccc(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(C)n3)C2)c(C)c1C ZINC000019577274 212046121 /nfs/dbraw/zinc/04/61/21/212046121.db2.gz ANTKICJGFGMMLM-MRXNPFEDSA-N 0 3 327.428 2.693 40 0 EFABHN COc1ccc(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(C)n3)C2)c(C)c1C ZINC000019577274 212046122 /nfs/dbraw/zinc/04/61/22/212046122.db2.gz ANTKICJGFGMMLM-MRXNPFEDSA-N 0 3 327.428 2.693 40 0 EFABHN c1csc(-c2nnn(C[C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000019344956 212019066 /nfs/dbraw/zinc/01/90/66/212019066.db2.gz BQMIRYJBRRSEJZ-OAHLLOKOSA-N 0 3 340.456 2.709 40 0 EFABHN COc1ccccc1CN1CCC[C@@H](c2nn(C)c3nccnc23)C1 ZINC000019289395 212011551 /nfs/dbraw/zinc/01/15/51/212011551.db2.gz VEOKFCAFTDFZFT-OAHLLOKOSA-N 0 3 337.427 2.752 40 0 EFABHN Cc1nc([C@H]2CC[N@@H+](Cc3ccc(OC(C)C)cc3)C2)cc(=O)[n-]1 ZINC000019285247 212009941 /nfs/dbraw/zinc/00/99/41/212009941.db2.gz SNWYSCRLSBXFFJ-INIZCTEOSA-N 0 3 327.428 2.855 40 0 EFABHN Cc1nc([C@H]2CC[N@H+](Cc3ccc(OC(C)C)cc3)C2)cc(=O)[n-]1 ZINC000019285247 212009945 /nfs/dbraw/zinc/00/99/45/212009945.db2.gz SNWYSCRLSBXFFJ-INIZCTEOSA-N 0 3 327.428 2.855 40 0 EFABHN Cc1cnc(-c2nnc([C@@H]3CCN(Cc4ccccc4F)C3)o2)cn1 ZINC000019239191 212008751 /nfs/dbraw/zinc/00/87/51/212008751.db2.gz KVGQNBGCDKABNJ-CQSZACIVSA-N 0 3 339.374 2.964 40 0 EFABHN COc1c(C)cccc1CN1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019236002 212006705 /nfs/dbraw/zinc/00/67/05/212006705.db2.gz AZHHWFCDSFFWRR-GOSISDBHSA-N 0 3 338.455 2.776 40 0 EFABHN Cc1ccc(CN2CCC(O)(Cn3ccc4ncccc43)CC2)o1 ZINC000019216568 212006171 /nfs/dbraw/zinc/00/61/71/212006171.db2.gz YGZNGNXLZKBTHD-UHFFFAOYSA-N 0 3 325.412 2.965 40 0 EFABHN Cc1ccc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)s1 ZINC000019216929 212005258 /nfs/dbraw/zinc/00/52/58/212005258.db2.gz PQIQASMLSYCTGB-OAHLLOKOSA-N 0 3 342.468 2.812 40 0 EFABHN Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCCN(C)C3)on2)cc1 ZINC000019212262 212003870 /nfs/dbraw/zinc/00/38/70/212003870.db2.gz LMHQLQPXWJSFHD-FQEVSTJZSA-N 0 3 341.455 2.993 40 0 EFABHN CCN1CCC(N(C)C(=O)Cc2csc(-c3cccnc3)n2)CC1 ZINC000078394444 217046454 /nfs/dbraw/zinc/04/64/54/217046454.db2.gz DBTDIJGXAVIILB-UHFFFAOYSA-N 0 3 344.484 2.690 40 0 EFABHN Cn1cc(CNCCOc2ccc(F)cc2F)c(-c2ccncc2)n1 ZINC000078604183 217085546 /nfs/dbraw/zinc/08/55/46/217085546.db2.gz QZEYSNRCLBQDFC-UHFFFAOYSA-N 0 3 344.365 2.929 40 0 EFABHN CSc1ncc(C(=O)NC2CCN(C)CC2)n1-c1ccc(F)cc1 ZINC000078973466 217161081 /nfs/dbraw/zinc/16/10/81/217161081.db2.gz JVRVXRPKGRITBE-UHFFFAOYSA-N 0 3 348.447 2.557 40 0 EFABHN Cc1nnc2ccc(NC[C@H]3CCCN(C)[C@@H]3c3ccccc3)nn12 ZINC000079089953 217189042 /nfs/dbraw/zinc/18/90/42/217189042.db2.gz AHRGWWBWFOIISE-VQIMIIECSA-N 0 3 336.443 2.928 40 0 EFABHN O=C(c1cc2nccnc2cc1F)N1CCC[C@H]1CN1CCCCC1 ZINC000240707831 296198815 /nfs/dbraw/zinc/19/88/15/296198815.db2.gz HQTHADPJMSGTTO-AWEZNQCLSA-N 0 3 342.418 2.859 40 0 EFABHN COc1cc2cc(CNCc3cccs3)c(=O)[nH]c2cc1OC ZINC000012468851 211390478 /nfs/dbraw/zinc/39/04/78/211390478.db2.gz KZFVLADZUKQEPV-UHFFFAOYSA-N 0 3 330.409 2.897 40 0 EFABHN CC(C)N1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012441427 211383244 /nfs/dbraw/zinc/38/32/44/211383244.db2.gz IVVTWYPXGDCLLF-UHFFFAOYSA-N 0 3 330.881 2.739 40 0 EFABHN COc1ccccc1C1(O)CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000012292058 211335602 /nfs/dbraw/zinc/33/56/02/211335602.db2.gz JCYMBCOSAJUFNZ-GOSISDBHSA-N 0 3 327.424 2.712 40 0 EFABHN CC(=O)NC1(c2ccccc2)CCN(C[C@H](O)c2ccccc2)CC1 ZINC000012188273 211313523 /nfs/dbraw/zinc/31/35/23/211313523.db2.gz YWCYSIFSTOUEPW-FQEVSTJZSA-N 0 3 338.451 2.847 40 0 EFABHN O=C(c1ccccc1)c1ccc(OC[C@H](O)CN2CCCC2)cc1 ZINC000000811859 284713426 /nfs/dbraw/zinc/71/34/26/284713426.db2.gz WVDOYECEGDNFGF-GOSISDBHSA-N 0 3 325.408 2.753 40 0 EFABHN C[C@H]1CN(CC2CCN(c3nnc(C4CC4)s3)CC2)C[C@H](C)O1 ZINC000091478098 218011724 /nfs/dbraw/zinc/01/17/24/218011724.db2.gz HPCXXIALRHJZDI-STQMWFEESA-N 0 3 336.505 2.741 40 0 EFABHN Cc1nn(C)cc1CN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000091856120 218077056 /nfs/dbraw/zinc/07/70/56/218077056.db2.gz WOEMIQJUIFOVNN-ZDUSSCGKSA-N 0 3 347.850 2.628 40 0 EFABHN CCN1C[C@H](CN(C)Cc2ccc(C(N)=O)cc2)Oc2ccccc21 ZINC000011193487 211207198 /nfs/dbraw/zinc/20/71/98/211207198.db2.gz YKDVUZHKLYDKEH-KRWDZBQOSA-N 0 3 339.439 2.505 40 0 EFABHN CC1CCN(CCCNS(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000010541031 211179836 /nfs/dbraw/zinc/17/98/36/211179836.db2.gz XACSCDFXZGESBC-UHFFFAOYSA-N 0 3 344.908 2.881 40 0 EFABHN Cc1cc(CN2CCC(c3cnn(C)c3)CC2)ccc1-n1cncn1 ZINC000092808422 218171173 /nfs/dbraw/zinc/17/11/73/218171173.db2.gz ASQGYGFCRZMWJD-UHFFFAOYSA-N 0 3 336.443 2.689 40 0 EFABHN CNC(=O)[C@H]1CCCN(Cc2ccccc2OCc2ccccn2)C1 ZINC000093360815 218218174 /nfs/dbraw/zinc/21/81/74/218218174.db2.gz FSVIGSSOAACHJS-KRWDZBQOSA-N 0 3 339.439 2.619 40 0 EFABHN CCC[C@H]1SCCN1C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000095405608 218341421 /nfs/dbraw/zinc/34/14/21/218341421.db2.gz XGNHWDUGILWCTG-MRXNPFEDSA-N 0 3 336.505 2.684 40 0 EFABHN C[C@@H](NCC(C)(C)N1CCOCC1)c1cnn(-c2ccccc2)c1 ZINC000095419318 218359395 /nfs/dbraw/zinc/35/93/95/218359395.db2.gz QRQVABPAIBBFID-MRXNPFEDSA-N 0 3 328.460 2.634 40 0 EFABHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1c(Cl)cccc1Cl ZINC000095429864 218372739 /nfs/dbraw/zinc/37/27/39/218372739.db2.gz LWMIOBZYFDUIHV-GFCCVEGCSA-N 0 3 343.254 2.977 40 0 EFABHN c1csc(CNC[C@@H]2Cn3nnc(-c4ccsc4)c3CO2)c1 ZINC000096061026 218553915 /nfs/dbraw/zinc/55/39/15/218553915.db2.gz GMNIGSGIGMDMOJ-GFCCVEGCSA-N 0 3 332.454 2.757 40 0 EFABHN O=C(NCC1CC1)[C@@H]1CCC2(CCN(Cc3ccsc3)CC2)O1 ZINC000096061165 218554409 /nfs/dbraw/zinc/55/44/09/218554409.db2.gz MJQDWIYGKCJUGE-INIZCTEOSA-N 0 3 334.485 2.788 40 0 EFABHN Brc1ccc(-c2ccc3nnc([C@@H]4CCCN4)n3n2)cc1 ZINC000217556807 532958530 /nfs/dbraw/zinc/95/85/30/532958530.db2.gz FEWGSTKAEWMHLW-ZDUSSCGKSA-N 0 3 344.216 2.978 40 0 EFABHN CCOc1cccc(CCNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000097234381 219001695 /nfs/dbraw/zinc/00/16/95/219001695.db2.gz GMNGTXJUZDIFNE-HKUYNNGSSA-N 0 3 345.487 2.754 40 0 EFABHN Cc1nc(CN2C(=O)c3cccn3[C@H]3CN(CC4CC4)C[C@H]32)cs1 ZINC000306132907 257920607 /nfs/dbraw/zinc/92/06/07/257920607.db2.gz LVWYOHUSXZWGLP-DLBZAZTESA-N 0 3 342.468 2.544 40 0 EFABHN O=C(CNCCN1CCCCC1)Nc1ccccc1N1CCCCC1 ZINC000035311435 132389357 /nfs/dbraw/zinc/38/93/57/132389357.db2.gz GJQOMMNMCLDWQO-UHFFFAOYSA-N 0 3 344.503 2.691 40 0 EFABHN COCCN1CC[C@@]2(C1)COCc1c(C)nc(-c3ccccc3)nc12 ZINC000096244676 274033047 /nfs/dbraw/zinc/03/30/47/274033047.db2.gz AJPVFRMOEPRZGM-HXUWFJFHSA-N 0 3 339.439 2.572 40 0 EFABHN c1coc(CN2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)c1 ZINC000096061681 275074578 /nfs/dbraw/zinc/07/45/78/275074578.db2.gz LEVWIGRHPXIPND-UXHICEINSA-N 0 3 326.440 2.797 40 0 EFABHN CN1CCC2(CC1)CN(C(=O)Cc1ccccn1)Cc1ccccc12 ZINC000096242390 277035394 /nfs/dbraw/zinc/03/53/94/277035394.db2.gz UABOXPFBSOMQRJ-UHFFFAOYSA-N 0 3 335.451 2.630 40 0 EFABHN CC(=O)N1Cc2cc(C)ccc2O[C@@]2(CCCN(CC3CC3)C2)C1 ZINC000012365387 278074057 /nfs/dbraw/zinc/07/40/57/278074057.db2.gz IELQPLVYUSWBSW-HXUWFJFHSA-N 0 3 328.456 2.981 40 0 EFABHN C[C@@H](NC[C@]1(O)CCc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000090780125 278356517 /nfs/dbraw/zinc/35/65/17/278356517.db2.gz NYOHCPVKYOHNKR-AUUYWEPGSA-N 0 3 345.464 2.575 40 0 EFABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](CN)c2ccccc2Cl)C1 ZINC000022927595 278439296 /nfs/dbraw/zinc/43/92/96/278439296.db2.gz UPAMDOYRFUOKHL-IUODEOHRSA-N 0 3 339.867 2.939 40 0 EFABHN CCN1CCC2(CC1)C[C@@H](NC(=O)[C@H]1CCCO1)c1ccccc1O2 ZINC000096242704 279262969 /nfs/dbraw/zinc/26/29/69/279262969.db2.gz OXJWOULPFWAEFB-SJLPKXTDSA-N 0 3 344.455 2.660 40 0 EFABHN CN(C)C(=O)C[C@@H]1CC2(CCN([C@H]3CCOC3)CC2)c2ccccc21 ZINC000096241995 281938967 /nfs/dbraw/zinc/93/89/67/281938967.db2.gz WMALKUCGYCAAQO-SJORKVTESA-N 0 3 342.483 2.775 40 0 EFABHN CN(CC1CCN(c2ccncc2)CC1)C(=O)c1ncoc1C1CC1 ZINC000329058270 311263769 /nfs/dbraw/zinc/26/37/69/311263769.db2.gz YIQQGNITOYUSGU-UHFFFAOYSA-N 0 3 340.427 2.936 40 0 EFABHN CCN(C(=O)NCc1cc(C)no1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184609727 323370154 /nfs/dbraw/zinc/37/01/54/323370154.db2.gz DWGHPHDHCYCWFD-KRWDZBQOSA-N 0 3 342.443 2.789 40 0 EFABHN Cc1ccc(CNC(=O)[C@@]2(C)CCCCN2)c(OC[C@@H]2CCOC2)c1 ZINC000195556996 323529302 /nfs/dbraw/zinc/52/93/02/323529302.db2.gz SVCDHVLTFJEZPA-OXQOHEQNSA-N 0 3 346.471 2.559 40 0 EFABHN COc1cccc(NCCc2nc([C@H](N)Cc3ccccc3)n[nH]2)c1 ZINC000095534870 473223671 /nfs/dbraw/zinc/22/36/71/473223671.db2.gz RZMMSCAPKCQUHT-QGZVFWFLSA-N 0 3 337.427 2.710 40 0 EFABHN CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000081792441 473253765 /nfs/dbraw/zinc/25/37/65/473253765.db2.gz NJNSQGPZYNBBMI-CYBMUJFWSA-N 0 3 332.444 2.520 40 0 EFABHN CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000081792441 473253769 /nfs/dbraw/zinc/25/37/69/473253769.db2.gz NJNSQGPZYNBBMI-CYBMUJFWSA-N 0 3 332.444 2.520 40 0 EFABHN COC[C@]12CCCO[C@H]1CCN(Cc1cc(OC)cc(OC)c1)C2 ZINC000096039147 473260034 /nfs/dbraw/zinc/26/00/34/473260034.db2.gz NUDSVTVLBMFOIE-RBUKOAKNSA-N 0 3 335.444 2.721 40 0 EFABHN COC[C@]12CCCO[C@@H]1CCN(Cc1cc(OC)cc(OC)c1)C2 ZINC000096039145 473260531 /nfs/dbraw/zinc/26/05/31/473260531.db2.gz NUDSVTVLBMFOIE-RTBURBONSA-N 0 3 335.444 2.721 40 0 EFABHN O=C(NCC1CC1)[C@H]1CO[C@H]2CCN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096042634 473266040 /nfs/dbraw/zinc/26/60/40/473266040.db2.gz CUGHOGJMATXPLF-LMMKCTJWSA-N 0 3 346.446 2.579 40 0 EFABHN Fc1cnc(N[C@@H]2CO[C@@]3(C2)CCCN(Cc2ccsc2)C3)nc1 ZINC000096048499 473270508 /nfs/dbraw/zinc/27/05/08/473270508.db2.gz OBHLCDRQUBATGK-DOTOQJQBSA-N 0 3 348.447 2.913 40 0 EFABHN O=C(c1cccnc1)N1CCC[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC000096047049 473268265 /nfs/dbraw/zinc/26/82/65/473268265.db2.gz WBISRNDLRVPEIE-HXUWFJFHSA-N 0 3 336.439 2.605 40 0 EFABHN CN(Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096048014 473270083 /nfs/dbraw/zinc/27/00/83/473270083.db2.gz RIFUSDVGRDOEIG-GOSISDBHSA-N 0 3 341.455 2.930 40 0 EFABHN Fc1cnc(N[C@@H]2CO[C@]3(C2)CCCN(Cc2ccsc2)C3)nc1 ZINC000096048498 473271333 /nfs/dbraw/zinc/27/13/33/473271333.db2.gz OBHLCDRQUBATGK-RDJZCZTQSA-N 0 3 348.447 2.913 40 0 EFABHN O=C(C[C@H]1COC2(C1)CCN(Cc1ccco1)CC2)N1CCCC1 ZINC000096048169 473271410 /nfs/dbraw/zinc/27/14/10/473271410.db2.gz BKCFUPFGAKZERU-MRXNPFEDSA-N 0 3 332.444 2.663 40 0 EFABHN c1csc(CN2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)c1 ZINC000096048331 473272291 /nfs/dbraw/zinc/27/22/91/473272291.db2.gz GYXAQIDRUQQLRO-WMLDXEAASA-N 0 3 330.457 2.774 40 0 EFABHN c1csc(CN2CCC[C@]3(C2)COCCN(c2cncnc2)C3)c1 ZINC000096049529 473274577 /nfs/dbraw/zinc/27/45/77/473274577.db2.gz YNCODFZWNYMUAL-GOSISDBHSA-N 0 3 344.484 2.657 40 0 EFABHN CN(Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccnnc1)CC2 ZINC000096051589 473275496 /nfs/dbraw/zinc/27/54/96/473275496.db2.gz NGUYORZHAYISQE-KRWDZBQOSA-N 0 3 340.427 2.586 40 0 EFABHN Cn1ccc(C(=O)N[C@@H]2CCC23CCN(Cc2ccco2)CC3)c1 ZINC000096051684 473275952 /nfs/dbraw/zinc/27/59/52/473275952.db2.gz UIAZVRLCWFCXRB-QGZVFWFLSA-N 0 3 327.428 2.793 40 0 EFABHN Cn1ccc(C(=O)N[C@@H]2CCC23CCN(Cc2ccoc2)CC3)c1 ZINC000096051688 473275966 /nfs/dbraw/zinc/27/59/66/473275966.db2.gz YPPRLZZLVMNLGN-QGZVFWFLSA-N 0 3 327.428 2.793 40 0 EFABHN Cc1ccc(CN2CCOC[C@@]3(C[C@H](Cn4ccnc4)CO3)C2)s1 ZINC000096052068 473276067 /nfs/dbraw/zinc/27/60/67/473276067.db2.gz CWWDOTJNCULINI-SJLPKXTDSA-N 0 3 347.484 2.561 40 0 EFABHN Cn1ccc(C(=O)N[C@@H]2CCC23CCN(Cc2ccccn2)CC3)c1 ZINC000096051700 473276916 /nfs/dbraw/zinc/27/69/16/473276916.db2.gz GIRWBRRBESUHSE-GOSISDBHSA-N 0 3 338.455 2.595 40 0 EFABHN c1csc(CN2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC000096055026 473277616 /nfs/dbraw/zinc/27/76/16/473277616.db2.gz QAOGTQNLVVYECZ-IRXDYDNUSA-N 0 3 329.469 2.618 40 0 EFABHN c1cc(CN2CCN3C[C@@H](OCc4ccccn4)C[C@@H]3C2)cs1 ZINC000096055119 473279047 /nfs/dbraw/zinc/27/90/47/473279047.db2.gz OUPCXOYGLAYPHJ-MSOLQXFVSA-N 0 3 329.469 2.618 40 0 EFABHN O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2cccs2)C1 ZINC000096057734 473281346 /nfs/dbraw/zinc/28/13/46/473281346.db2.gz DIHUDQKMHIJWOJ-IAOVAPTHSA-N 0 3 343.452 2.761 40 0 EFABHN Cc1ccc(CN2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)s1 ZINC000096057607 473281480 /nfs/dbraw/zinc/28/14/80/473281480.db2.gz QUUZAPGFTBBLEA-USXIJHARSA-N 0 3 334.485 2.658 40 0 EFABHN O=C(NCc1ccco1)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1 ZINC000096057374 473281640 /nfs/dbraw/zinc/28/16/40/473281640.db2.gz GGQPCPCZUGWXGH-ZACQAIPSSA-N 0 3 346.452 2.779 40 0 EFABHN CCN(C)c1ncnc2c1CCN(Cc1ccc(OC)cc1)CC2 ZINC000096058795 473283613 /nfs/dbraw/zinc/28/36/13/473283613.db2.gz WDEWRWKYKYELJR-UHFFFAOYSA-N 0 3 326.444 2.542 40 0 EFABHN c1csc(CN2CC[C@]3(C2)COCCN(Cc2ccncc2)C3)c1 ZINC000096062406 473285039 /nfs/dbraw/zinc/28/50/39/473285039.db2.gz SBYRITAAWVPZAV-LJQANCHMSA-N 0 3 343.496 2.868 40 0 EFABHN Cc1ccc(CN2CCC3(CC[C@@H](C(=O)NCC4CC4)O3)CC2)o1 ZINC000096061171 473285810 /nfs/dbraw/zinc/28/58/10/473285810.db2.gz QZBKWBQECLWIRD-KRWDZBQOSA-N 0 3 332.444 2.628 40 0 EFABHN C[C@@H]1CN(Cc2ccoc2)CC[C@@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000096061278 473286018 /nfs/dbraw/zinc/28/60/18/473286018.db2.gz BNZWGNPSEMERGT-BJZITVGISA-N 0 3 332.444 2.565 40 0 EFABHN c1cc(CNC[C@H]2Cn3nnc(-c4ccccc4)c3CO2)cs1 ZINC000096061074 473286042 /nfs/dbraw/zinc/28/60/42/473286042.db2.gz ROIQOXJXJLCVEI-HNNXBMFYSA-N 0 3 326.425 2.695 40 0 EFABHN O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(Cc3ccco3)C[C@H]21 ZINC000096066346 473288111 /nfs/dbraw/zinc/28/81/11/473288111.db2.gz DPBLRXMWVMYGPF-FGTMMUONSA-N 0 3 341.411 2.540 40 0 EFABHN c1ccc(O[C@@H]2COC3(C2)CCN(Cc2cccnc2)CC3)nc1 ZINC000096106963 473298126 /nfs/dbraw/zinc/29/81/26/473298126.db2.gz KBGXTVLQKZONKR-KRWDZBQOSA-N 0 3 325.412 2.679 40 0 EFABHN c1ccc(CN2CCC3(CO[C@H](COc4cccnc4)C3)CC2)nc1 ZINC000096106087 473299225 /nfs/dbraw/zinc/29/92/25/473299225.db2.gz YVBXEUPVLZRRTE-IBGZPJMESA-N 0 3 339.439 2.927 40 0 EFABHN CO[C@@H]1CCN(Cc2cccs2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096108572 473301779 /nfs/dbraw/zinc/30/17/79/473301779.db2.gz BJXXWUSNCNMZCF-IPMKNSEASA-N 0 3 343.496 2.864 40 0 EFABHN CS(=O)(=O)[C@H]1CCC[C@@H]1NCC1(Sc2ccccc2)CC1 ZINC000096491646 473447139 /nfs/dbraw/zinc/44/71/39/473447139.db2.gz ICWUDZDJJLMLLS-GJZGRUSLSA-N 0 3 325.499 2.867 40 0 EFABHN O=C(NCCNc1cc(N2CCCC2)cnn1)c1cccc(Cl)c1 ZINC000096120936 473306621 /nfs/dbraw/zinc/30/66/21/473306621.db2.gz GIVOFIQEYWWWKI-UHFFFAOYSA-N 0 3 345.834 2.572 40 0 EFABHN O=C(c1cccc(Cl)c1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161587 473319950 /nfs/dbraw/zinc/31/99/50/473319950.db2.gz AQRBOINJPMBDBC-IYBDPMFKSA-N 0 3 341.842 2.939 40 0 EFABHN O=C(N1CCCC1)N1CCC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096157579 473316794 /nfs/dbraw/zinc/31/67/94/473316794.db2.gz CAHQXRQOHBHXTN-UHFFFAOYSA-N 0 3 328.460 2.585 40 0 EFABHN COc1ccc(CN2CC[C@@]3(C2)CCCN(c2ncccn2)C3)cc1 ZINC000096158245 473317828 /nfs/dbraw/zinc/31/78/28/473317828.db2.gz HJZXZEILEGWEBA-HXUWFJFHSA-N 0 3 338.455 2.978 40 0 EFABHN O=C(c1cnccn1)N1CCC[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096158184 473318161 /nfs/dbraw/zinc/31/81/61/473318161.db2.gz CHMNAZQDJSLTCR-GOSISDBHSA-N 0 3 342.468 2.666 40 0 EFABHN Cc1noc(C)c1CN1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC000096158244 473318513 /nfs/dbraw/zinc/31/85/13/473318513.db2.gz BEIJTJUMNBSURV-SFHVURJKSA-N 0 3 327.432 2.574 40 0 EFABHN O=C1N(Cc2cccc(F)c2)CC[C@@]12CCN(Cc1ccccn1)C2 ZINC000096159655 473319435 /nfs/dbraw/zinc/31/94/35/473319435.db2.gz ILUXHUALXHTBBI-HXUWFJFHSA-N 0 3 339.414 2.845 40 0 EFABHN COc1ncccc1CN1CC[C@H]2[C@H]1CCN2Cc1ccc(C)o1 ZINC000096184671 473327702 /nfs/dbraw/zinc/32/77/02/473327702.db2.gz YQFQAGQQQUNBLH-MSOLQXFVSA-N 0 3 327.428 2.840 40 0 EFABHN CN(Cc1ccco1)Cc1cncc2c1CCN(C1CCOCC1)C2 ZINC000096189521 473331229 /nfs/dbraw/zinc/33/12/29/473331229.db2.gz QGZKLJYJVCGQPW-UHFFFAOYSA-N 0 3 341.455 2.844 40 0 EFABHN c1csc(COCc2cncc3c2CCN(C[C@@H]2CCOC2)C3)n1 ZINC000096189425 473330124 /nfs/dbraw/zinc/33/01/24/473330124.db2.gz IUVHFGHPQSGNCZ-AWEZNQCLSA-N 0 3 345.468 2.650 40 0 EFABHN Cc1ccc(CN2CC[C@@H](N3CCOCC3)[C@@H]2Cc2cccnc2)o1 ZINC000096200867 473336904 /nfs/dbraw/zinc/33/69/04/473336904.db2.gz YAVTYTJFVOCUHH-UXHICEINSA-N 0 3 341.455 2.501 40 0 EFABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N(CC2CC2)[C@@H]3C)o1 ZINC000096201567 473338502 /nfs/dbraw/zinc/33/85/02/473338502.db2.gz HJDUCWRHDMVQHA-OAHLLOKOSA-N 0 3 332.444 2.580 40 0 EFABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N(CC2CC2)[C@H]3C)o1 ZINC000096201566 473338574 /nfs/dbraw/zinc/33/85/74/473338574.db2.gz HJDUCWRHDMVQHA-HNNXBMFYSA-N 0 3 332.444 2.580 40 0 EFABHN O=C(C[C@H]1OC[C@H]2CN(Cc3ccsc3)CC[C@@H]12)NCC1CC1 ZINC000096207029 473343647 /nfs/dbraw/zinc/34/36/47/473343647.db2.gz SACSRSGMTCBSHS-BRWVUGGUSA-N 0 3 334.485 2.501 40 0 EFABHN O=C(CCc1ccccc1)N1CCCN(C[C@@H]2CCCCO2)CC1 ZINC000083250776 473340918 /nfs/dbraw/zinc/34/09/18/473340918.db2.gz GITWAELRMNQJBT-IBGZPJMESA-N 0 3 330.472 2.723 40 0 EFABHN COCCC(=O)N1CC2(C1)CCN(Cc1cccc(Cl)c1)CC2 ZINC000096203001 473341358 /nfs/dbraw/zinc/34/13/58/473341358.db2.gz XFQXOEGAJGGCPT-UHFFFAOYSA-N 0 3 336.863 2.801 40 0 EFABHN CCc1ccc(CN2CC[C@]3(C2)C[C@H](N2CCCC2=O)CCO3)cc1 ZINC000096208726 473344112 /nfs/dbraw/zinc/34/41/12/473344112.db2.gz XTBLJWUUMIFMSJ-TZIWHRDSSA-N 0 3 342.483 2.995 40 0 EFABHN Fc1cccnc1OC[C@@H]1Cn2cncc2CN(C2CCCC2)C1 ZINC000096209169 473345571 /nfs/dbraw/zinc/34/55/71/473345571.db2.gz ORJUZOIGECJXNB-AWEZNQCLSA-N 0 3 330.407 2.871 40 0 EFABHN Cc1cccc(CN2CC[C@]3(C2)CCCN(Cc2cnn(C)c2)C3)n1 ZINC000096217252 473349476 /nfs/dbraw/zinc/34/94/76/473349476.db2.gz VQSPMTKQGOFQNW-HXUWFJFHSA-N 0 3 339.487 2.612 40 0 EFABHN O=C(N[C@H]1COC2(C1)CCN(Cc1ccco1)CC2)c1cccs1 ZINC000096221215 473353610 /nfs/dbraw/zinc/35/36/10/473353610.db2.gz BKTROAXCZBJBPD-CQSZACIVSA-N 0 3 346.452 2.895 40 0 EFABHN O=C(CC1CC1)N[C@@H]1COCCC12CCN(Cc1ccoc1)CC2 ZINC000096219500 473351736 /nfs/dbraw/zinc/35/17/36/473351736.db2.gz UXCPTYLNNVQNHY-QGZVFWFLSA-N 0 3 332.444 2.567 40 0 EFABHN Cc1ccc(CN2CC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000096219771 473353042 /nfs/dbraw/zinc/35/30/42/473353042.db2.gz WDNLJTAXRWXEAW-YJBOKZPZSA-N 0 3 344.484 2.716 40 0 EFABHN O=C(N[C@@H]1COC2(C1)CCN(Cc1ccoc1)CC2)c1cccs1 ZINC000096221222 473354442 /nfs/dbraw/zinc/35/44/42/473354442.db2.gz CBLFOYXZBJTPRU-HNNXBMFYSA-N 0 3 346.452 2.895 40 0 EFABHN O=C1N(Cc2ccncc2)CC[C@]12CCCN(Cc1ccoc1)C2 ZINC000096224434 473355434 /nfs/dbraw/zinc/35/54/34/473355434.db2.gz FYHYAVAXNCNVID-IBGZPJMESA-N 0 3 325.412 2.689 40 0 EFABHN O=C1N(Cc2cccnc2)CC[C@]12CCCN(Cc1ccoc1)C2 ZINC000096224311 473355807 /nfs/dbraw/zinc/35/58/07/473355807.db2.gz UBVXIEVVVLHIDX-IBGZPJMESA-N 0 3 325.412 2.689 40 0 EFABHN c1ccc(N2CCOC[C@@]3(CCCN(Cc4ccncc4)C3)C2)nc1 ZINC000096229057 473359076 /nfs/dbraw/zinc/35/90/76/473359076.db2.gz DHOJHVAMWYXOBG-HXUWFJFHSA-N 0 3 338.455 2.596 40 0 EFABHN Cc1nc(CN2C[C@@]3(CCN(Cc4ccco4)C3)CC2=O)cs1 ZINC000096239361 473360879 /nfs/dbraw/zinc/36/08/79/473360879.db2.gz YIUCWUDKKJMTEH-KRWDZBQOSA-N 0 3 331.441 2.669 40 0 EFABHN COc1ccc2c(c1)C1(CCN(C(=O)c3ccoc3)CC1)N(C)CC2 ZINC000096242673 473361661 /nfs/dbraw/zinc/36/16/61/473361661.db2.gz OEBNPPJCCBMVGH-UHFFFAOYSA-N 0 3 340.423 2.908 40 0 EFABHN c1ccc2c(c1)[C@@H]1CN(Cc3cccnc3)C[C@@H]1[C@H]2N1CCOCC1 ZINC000096251708 473364166 /nfs/dbraw/zinc/36/41/66/473364166.db2.gz GFNQXXROXBVVLH-ACRUOGEOSA-N 0 3 335.451 2.684 40 0 EFABHN Cc1cccc(CN2C[C@@H]3C(=O)N(Cc4cccc(F)c4)C[C@@H]3C2)n1 ZINC000096245317 473364938 /nfs/dbraw/zinc/36/49/38/473364938.db2.gz FANPYNDXYJCLLP-LPHOPBHVSA-N 0 3 339.414 2.620 40 0 EFABHN Cn1cc(-c2ncnc3c2CCN(Cc2cccs2)CC3)cn1 ZINC000096255186 473366457 /nfs/dbraw/zinc/36/64/57/473366457.db2.gz FZDBRIJVOGABLG-UHFFFAOYSA-N 0 3 325.441 2.539 40 0 EFABHN CCC1=N[C@@]2(CC[C@@H]3CN(Cc4cccc(Cl)c4)C[C@@H]32)C(=O)N1 ZINC000096261568 473369260 /nfs/dbraw/zinc/36/92/60/473369260.db2.gz FEZXTZCFKKWPPO-QIIPPGSGSA-N 0 3 331.847 2.859 40 0 EFABHN CCc1ncncc1C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000096408500 473387025 /nfs/dbraw/zinc/38/70/25/473387025.db2.gz CEVSRVFGAAVNDG-UHFFFAOYSA-N 0 3 348.834 2.885 40 0 EFABHN COCCCN1CCC(NC(=O)C[C@@H]2CCOc3ccccc32)CC1 ZINC000096410106 473388812 /nfs/dbraw/zinc/38/88/12/473388812.db2.gz QOOGADSWKAVIJG-INIZCTEOSA-N 0 3 346.471 2.560 40 0 EFABHN O=C(O[C@H]1CN2CCC1CC2)[C@](O)(C1=CCCC1)c1ccccc1 ZINC000001641825 471395402 /nfs/dbraw/zinc/39/54/02/471395402.db2.gz HRGZDUGJXKGXRU-AZUAARDMSA-N 0 3 327.424 2.622 40 0 EFABHN OCCN(CCO)CCN1c2ccccc2Sc2ccccc21 ZINC000001688188 471397018 /nfs/dbraw/zinc/39/70/18/471397018.db2.gz OEUZTVNAUVDNLM-UHFFFAOYSA-N 0 3 330.453 2.576 40 0 EFABHN O=c1[n-]c(NC2CC[NH+](Cc3ccccc3)CC2)nc2c1CCCC2 ZINC000005595982 471512665 /nfs/dbraw/zinc/51/26/65/471512665.db2.gz CQJZMPNDJNOQEQ-UHFFFAOYSA-N 0 3 338.455 2.725 40 0 EFABHN CCOc1cc(CNCCCN2CCOCC2)cc(Cl)c1OC ZINC000008253658 471674850 /nfs/dbraw/zinc/67/48/50/471674850.db2.gz QQLJRKWEYSRESA-UHFFFAOYSA-N 0 3 342.867 2.559 40 0 EFABHN COc1ccccc1[C@]1(O)CCCN(C[C@@H](O)c2ccc(F)cc2)C1 ZINC000012292394 471770832 /nfs/dbraw/zinc/77/08/32/471770832.db2.gz IEXJXWCUJQTYAV-QUCCMNQESA-N 0 3 345.414 2.851 40 0 EFABHN Cc1cc2nc([C@H]3CCCN(Cc4ccc(O)cc4)C3)cc(N)n2n1 ZINC000012667343 471788641 /nfs/dbraw/zinc/78/86/41/471788641.db2.gz AJSMCEJNMHBPKG-HNNXBMFYSA-N 0 3 337.427 2.705 40 0 EFABHN COc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1C ZINC000013674414 471837122 /nfs/dbraw/zinc/83/71/22/471837122.db2.gz WGECWCMFARAZIR-UHFFFAOYSA-N 0 3 340.489 2.548 40 0 EFABHN O[C@@H]1C[C@@H](c2nc(-c3ccncc3)no2)N(CC2CCCCC2)C1 ZINC000015674432 471913981 /nfs/dbraw/zinc/91/39/81/471913981.db2.gz QVNSLJIMBSOEGD-CVEARBPZSA-N 0 3 328.416 2.820 40 0 biogenic,in-vitro EFABHN CC(C)/C=C\[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000017249796 471958444 /nfs/dbraw/zinc/95/84/44/471958444.db2.gz LFEGCLWKAFYJIE-NCJCTJFTSA-N 0 3 329.440 2.724 40 0 EFABHN CC1CCN(C(=O)[C@@H]2CN(C)C[C@]23CCc2ccccc2C3=O)CC1 ZINC000019496726 471980232 /nfs/dbraw/zinc/98/02/32/471980232.db2.gz CVRMGYUNTNXTCP-GHTZIAJQSA-N 0 3 340.467 2.622 40 0 EFABHN COc1ccc(CN2CC[C@H](c3ccc4c(N)ncnc4n3)C2)cc1 ZINC000019704881 471983409 /nfs/dbraw/zinc/98/34/09/471983409.db2.gz RTLVFXRYIWPSSV-AWEZNQCLSA-N 0 3 335.411 2.605 40 0 EFABHN CNc1cc(CN(C)CC(C)(C)C)nc([C@@H]2CCCN2C(C)=O)n1 ZINC000019759908 471985003 /nfs/dbraw/zinc/98/50/03/471985003.db2.gz KVGJANGNAGMTSS-HNNXBMFYSA-N 0 3 333.480 2.680 40 0 EFABHN C/C=C/c1ccc(=O)n2c1[C@@H]1C[C@@H](CN(Cc3ccc(CO)o3)C1)C2 ZINC000020503484 471990355 /nfs/dbraw/zinc/99/03/55/471990355.db2.gz UTQISLHZBQPBEW-OZRQEOMLSA-N 0 3 340.423 2.586 40 0 biogenic,in-vitro EFABHN O=S(=O)(Cc1ccccc1)NCc1ccccc1CN1CCCC1 ZINC000025767397 472110533 /nfs/dbraw/zinc/11/05/33/472110533.db2.gz MWXAAEROYAPHJJ-UHFFFAOYSA-N 0 3 344.480 2.902 40 0 EFABHN CN(C)C[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000027150674 472164178 /nfs/dbraw/zinc/16/41/78/472164178.db2.gz JDVPRRHKCAZINZ-QGZVFWFLSA-N 0 3 340.423 2.767 40 0 EFABHN COC(=O)c1ccc(OC[C@H](O)CN[C@H](C)c2ccccc2)cc1 ZINC000027530303 472179454 /nfs/dbraw/zinc/17/94/54/472179454.db2.gz RAAQWHZPYFVJFK-RHSMWYFYSA-N 0 3 329.396 2.564 40 0 EFABHN CSc1ccc(OCCN2CCC(N3CCCC3=O)CC2)cc1 ZINC000075717401 472188829 /nfs/dbraw/zinc/18/88/29/472188829.db2.gz WBNKXSPMVLFIBY-UHFFFAOYSA-N 0 3 334.485 2.874 40 0 EFABHN O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220954 472216910 /nfs/dbraw/zinc/21/69/10/472216910.db2.gz JTRSLFFZYOZOII-WBVHZDCISA-N 0 3 336.863 2.847 40 0 EFABHN CN(C)CCn1cc(-c2ccc(I)cc2)cn1 ZINC000085393776 472241669 /nfs/dbraw/zinc/24/16/69/472241669.db2.gz AJXGATZGZMJBDA-UHFFFAOYSA-N 0 3 341.196 2.716 40 0 EFABHN C[C@H](Oc1ccccc1)C(=O)N1CCCSC[C@H]1CN1CCCC1 ZINC000085436274 472248280 /nfs/dbraw/zinc/24/82/80/472248280.db2.gz GKHOBZXTFIIKMI-DLBZAZTESA-N 0 3 348.512 2.884 40 0 EFABHN C[C@H]1CN(C)CCN1CC1CCN(C(=O)Nc2cccs2)CC1 ZINC000085468306 472251924 /nfs/dbraw/zinc/25/19/24/472251924.db2.gz RKUFYCKPMDVSJX-AWEZNQCLSA-N 0 3 336.505 2.628 40 0 EFABHN CCc1ccc(C(=O)N2CCC(CN3CCN(C)C[C@@H]3C)CC2)cc1 ZINC000085468152 472252010 /nfs/dbraw/zinc/25/20/10/472252010.db2.gz VYDIUPFTZHBFNC-KRWDZBQOSA-N 0 3 343.515 2.737 40 0 EFABHN COCCN1CCC(NC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000085467939 472252304 /nfs/dbraw/zinc/25/23/04/472252304.db2.gz ZAODDSYVPBXPJJ-UHFFFAOYSA-N 0 3 330.350 2.546 40 0 EFABHN CCS(=O)(=O)NCC1CCN(Cc2ccccc2SC)CC1 ZINC000043959429 472276163 /nfs/dbraw/zinc/27/61/63/472276163.db2.gz VJULNOWQDYORGG-UHFFFAOYSA-N 0 3 342.530 2.560 40 0 EFABHN CC(C)[C@@H](NC1CCOCC1)C(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000076317284 472319905 /nfs/dbraw/zinc/31/99/05/472319905.db2.gz IAVVPMVJSGHIQL-MRXNPFEDSA-N 0 3 348.472 2.870 40 0 EFABHN Cc1cc(Cl)ccc1NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000076329918 472321491 /nfs/dbraw/zinc/32/14/91/472321491.db2.gz HDLJFCSSFNCPAZ-CYBMUJFWSA-N 0 3 338.883 2.653 40 0 EFABHN CCN1CCN(CCC(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000076472126 472352438 /nfs/dbraw/zinc/35/24/38/472352438.db2.gz WEMFGYJMXZCRSH-UYAOXDASSA-N 0 3 343.515 2.666 40 0 EFABHN O=S(=O)(NCc1ccccc1CN1CCCC1)c1ccccc1 ZINC000031075261 472361854 /nfs/dbraw/zinc/36/18/54/472361854.db2.gz NNDQUUFMHQUZCL-UHFFFAOYSA-N 0 3 330.453 2.761 40 0 EFABHN CC(C)[C@H](NC(=O)NC1CCN(C2CC2)CC1)c1nc(C2CC2)no1 ZINC000069762498 472420982 /nfs/dbraw/zinc/42/09/82/472420982.db2.gz BZSXUDHXIINEIN-HNNXBMFYSA-N 0 3 347.463 2.570 40 0 EFABHN Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H]2CCN(CC3CC3)C2)s1 ZINC000076981450 472438158 /nfs/dbraw/zinc/43/81/58/472438158.db2.gz OEZHILIETPXKMN-SWLSCSKDSA-N 0 3 336.505 2.947 40 0 EFABHN C[C@H](CN1CCCN(CC(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000097103881 472448996 /nfs/dbraw/zinc/44/89/96/472448996.db2.gz ACHHXTRQFJWOEW-OAHLLOKOSA-N 0 3 337.895 2.539 40 0 EFABHN Cc1cc(F)ccc1S(=O)(=O)NCCCN1CCC[C@H](C)C1 ZINC000045744729 472452372 /nfs/dbraw/zinc/45/23/72/472452372.db2.gz YVQCLFWAHQFHGW-ZDUSSCGKSA-N 0 3 328.453 2.534 40 0 EFABHN O=C1CC[C@@H](NCc2ccc(O)cc2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000057760505 472471592 /nfs/dbraw/zinc/47/15/92/472471592.db2.gz RPYTXVFGHVVWNG-AEFFLSMTSA-N 0 3 332.350 2.780 40 0 EFABHN COc1ccccc1C1(CN[C@H]2CCCS(=O)(=O)C2)CCCC1 ZINC000097230738 472483355 /nfs/dbraw/zinc/48/33/55/472483355.db2.gz XHQLIXZAALMHJN-HNNXBMFYSA-N 0 3 337.485 2.674 40 0 EFABHN CC[C@](C)(NCc1cc(Br)cc2cccnc21)C(N)=O ZINC000097228049 472484054 /nfs/dbraw/zinc/48/40/54/472484054.db2.gz NLIYCUNNNMYZMU-HNNXBMFYSA-N 0 3 336.233 2.741 40 0 EFABHN Cc1nc(-c2cccc(CNC(=O)[C@@H](C)N3[C@H](C)CC[C@@H]3C)c2)n[nH]1 ZINC000089897658 472538970 /nfs/dbraw/zinc/53/89/70/472538970.db2.gz QKUKMWDIVDITBL-HZSPNIEDSA-N 0 3 341.459 2.658 40 0 EFABHN CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216279 472634169 /nfs/dbraw/zinc/63/41/69/472634169.db2.gz NOBPQGFSWSQQOA-OAHLLOKOSA-N 0 3 332.448 2.563 40 0 EFABHN Cc1nc(N2CCN(C(C)C)CC2)ccc1CNC(=O)OC(C)(C)C ZINC000072224747 472634241 /nfs/dbraw/zinc/63/42/41/472634241.db2.gz CJPOOZPJZKOGHI-UHFFFAOYSA-N 0 3 348.491 2.945 40 0 EFABHN CN1CCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216448 472635270 /nfs/dbraw/zinc/63/52/70/472635270.db2.gz SRTFMEMUFVKIDP-MRXNPFEDSA-N 0 3 346.475 2.905 40 0 EFABHN C[C@H](NC[C@]1(O)CCc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000090780124 472656827 /nfs/dbraw/zinc/65/68/27/472656827.db2.gz NYOHCPVKYOHNKR-IFXJQAMLSA-N 0 3 345.464 2.575 40 0 EFABHN CC1CCN(c2nc3c(c(=O)[n-]2)CC[N@H+](CC2CCCCC2)C3)CC1 ZINC000072335454 472661700 /nfs/dbraw/zinc/66/17/00/472661700.db2.gz XAKDTXZSFIIPDS-UHFFFAOYSA-N 0 3 344.503 2.945 40 0 EFABHN CC1CCN(c2nc3c(c(=O)[n-]2)CC[N@@H+](CC2CCCCC2)C3)CC1 ZINC000072335454 472661705 /nfs/dbraw/zinc/66/17/05/472661705.db2.gz XAKDTXZSFIIPDS-UHFFFAOYSA-N 0 3 344.503 2.945 40 0 EFABHN Cc1cccc(CN2C[C@H]3[C@H](CC[C@@]34Nc3ccccc3C(=O)N4)C2)n1 ZINC000072326857 472662215 /nfs/dbraw/zinc/66/22/15/472662215.db2.gz QWOWYJYNOKTMEM-YWMUFLPLSA-N 0 3 348.450 2.784 40 0 EFABHN CC(C)OC(=O)N1CCC(NCc2ccn(-c3ccccc3)n2)CC1 ZINC000091060437 472690742 /nfs/dbraw/zinc/69/07/42/472690742.db2.gz FPUXLTHLNBUBQJ-UHFFFAOYSA-N 0 3 342.443 2.971 40 0 EFABHN OC[C@@H](NC1CCC2(CC1)OCCO2)c1ccc(Cl)c(F)c1 ZINC000156429255 472706041 /nfs/dbraw/zinc/70/60/41/472706041.db2.gz MTUFOYOQDTYILA-OAHLLOKOSA-N 0 3 329.799 2.788 40 0 EFABHN COC(=O)c1c(NC(=O)[C@H]2CCCN(C)C2)sc2c1CCCC2 ZINC000078578532 472737145 /nfs/dbraw/zinc/73/71/45/472737145.db2.gz XMUDQGQWAITROE-NSHDSACASA-N 0 3 336.457 2.694 40 0 EFABHN C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1cnccc1N1CCCCC1 ZINC000079041070 472809893 /nfs/dbraw/zinc/80/98/93/472809893.db2.gz JZKSVNRXORBCPQ-CABCVRRESA-N 0 3 333.432 2.595 40 0 EFABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000073743310 472866812 /nfs/dbraw/zinc/86/68/12/472866812.db2.gz LLJQXLOLNPSYTN-MRXNPFEDSA-N 0 3 331.460 2.523 40 0 EFABHN O=C(c1ccc2c(c1)COCO2)N1CCCN(C2CCCC2)CC1 ZINC000073880562 472894512 /nfs/dbraw/zinc/89/45/12/472894512.db2.gz RZSJGJBSLJKZNY-UHFFFAOYSA-N 0 3 330.428 2.644 40 0 EFABHN Cn1cncc1-c1nnc([C@H]2CCN(Cc3ccccc3F)C2)o1 ZINC000049170457 472933455 /nfs/dbraw/zinc/93/34/55/472933455.db2.gz RXCIDISFOWKGLB-ZDUSSCGKSA-N 0 3 327.363 2.599 40 0 biogenic,in-vitro EFABHN Fc1cnc(N[C@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)nc1 ZINC000107226570 472935045 /nfs/dbraw/zinc/93/50/45/472935045.db2.gz BSMISWUCEVVFHF-CJNGLKHVSA-N 0 3 334.420 2.523 40 0 EFABHN Cc1c(C(=O)N2CCCC2)c(C(F)(F)F)nn1C1CCN(C)CC1 ZINC000049362575 472946371 /nfs/dbraw/zinc/94/63/71/472946371.db2.gz WDYFZPWKBMYXMD-UHFFFAOYSA-N 0 3 344.381 2.713 40 0 EFABHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(=O)[nH]c2ccccc21 ZINC000065514724 472961053 /nfs/dbraw/zinc/96/10/53/472961053.db2.gz CESIPWNCKGHGNU-MRXNPFEDSA-N 0 3 347.418 2.945 40 0 EFABHN COc1ccc(CN2CCC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)cc1 ZINC000107731390 472979387 /nfs/dbraw/zinc/97/93/87/472979387.db2.gz ZSUPZBRVNNTAMD-IEBWSBKVSA-N 0 3 327.428 2.888 40 0 EFABHN Fc1cnc(N[C@H]2CO[C@@]3(C2)CCCN(Cc2ccsc2)C3)nc1 ZINC000107731191 472979570 /nfs/dbraw/zinc/97/95/70/472979570.db2.gz OBHLCDRQUBATGK-NVXWUHKLSA-N 0 3 348.447 2.913 40 0 EFABHN Cc1ccc(CN2CCO[C@@H]3[C@H](COCCN(C)C)CC[C@@H]32)s1 ZINC000107747126 472980710 /nfs/dbraw/zinc/98/07/10/472980710.db2.gz HEYIOBUAGCPJTH-RYQLBKOJSA-N 0 3 338.517 2.614 40 0 EFABHN COCCNC(=O)[C@H]1CCC[C@]12CCN(Cc1ccccc1F)C2 ZINC000108528747 473035435 /nfs/dbraw/zinc/03/54/35/473035435.db2.gz HCMCOVBFOGMSKY-VQIMIIECSA-N 0 3 334.435 2.581 40 0 EFABHN O=C(N[C@@H]1CCOC2(CCN(Cc3ccccc3F)CC2)C1)C1CC1 ZINC000108533654 473037992 /nfs/dbraw/zinc/03/79/92/473037992.db2.gz VEDYKHWZQXXSHQ-QGZVFWFLSA-N 0 3 346.446 2.866 40 0 EFABHN CC(=O)NC1CCN(CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000074989744 473108162 /nfs/dbraw/zinc/10/81/62/473108162.db2.gz VKQGTOXWGZFGMC-UHFFFAOYSA-N 0 3 346.349 2.565 40 0 EFABHN Cc1ccc2c(c1)OCCC[C@@H]2NC[C@@H](c1cnn(C)c1)N(C)C ZINC000095422630 473201282 /nfs/dbraw/zinc/20/12/82/473201282.db2.gz LKGFPLKSJHXDAJ-ROUUACIJSA-N 0 3 328.460 2.835 40 0 EFABHN C[C@H]1C[C@H](N(C)C(=O)COCC2CC2)CCN1Cc1ccccc1 ZINC000096413964 473393512 /nfs/dbraw/zinc/39/35/12/473393512.db2.gz GSJZLFRBJYMDHX-QFBILLFUSA-N 0 3 330.472 2.925 40 0 EFABHN CC(C)[C@@H](C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)N(C)C ZINC000096417206 473396146 /nfs/dbraw/zinc/39/61/46/473396146.db2.gz KCWPNBDYENQVDR-YOEHRIQHSA-N 0 3 337.439 2.941 40 0 EFABHN Cc1ccc([C@@H](O)CN2CCC(C(=O)Nc3ccccn3)CC2)cc1 ZINC000096435741 473414979 /nfs/dbraw/zinc/41/49/79/473414979.db2.gz VSDZVYOFASOKCR-SFHVURJKSA-N 0 3 339.439 2.774 40 0 EFABHN CC[C@H](Cc1ccccc1)N(C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000096439870 473417981 /nfs/dbraw/zinc/41/79/81/473417981.db2.gz MUABDEMJMCWDES-QRVBRYPASA-N 0 3 345.487 2.512 40 0 EFABHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(C)n(C)n1 ZINC000096441183 473420532 /nfs/dbraw/zinc/42/05/32/473420532.db2.gz MRBMGOBDIHEPAC-GOSISDBHSA-N 0 3 340.471 2.713 40 0 EFABHN O=C(NC1CCN(C2CC2)CC1)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000096466990 473435106 /nfs/dbraw/zinc/43/51/06/473435106.db2.gz WXWLQJZDLYVMSR-SJORKVTESA-N 0 3 347.459 2.504 40 0 EFABHN NC(=O)COc1cccc(CNCc2cc(F)cc3cccnc32)c1 ZINC000096473103 473437088 /nfs/dbraw/zinc/43/70/88/473437088.db2.gz DIVJBWAWUQIQMP-UHFFFAOYSA-N 0 3 339.370 2.528 40 0 EFABHN COc1ccccc1NC(=O)C[C@H](C)NC[C@@](C)(O)c1cccs1 ZINC000096478129 473439801 /nfs/dbraw/zinc/43/98/01/473439801.db2.gz FTCFBYACFAOOQJ-SCLBCKFNSA-N 0 3 348.468 2.971 40 0 EFABHN Cn1nccc1CNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000096476605 473439905 /nfs/dbraw/zinc/43/99/05/473439905.db2.gz LSYFUNRXSBGNOI-UHFFFAOYSA-N 0 3 336.842 2.967 40 0 EFABHN C[C@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc2c(c1)OCO2 ZINC000096479371 473440534 /nfs/dbraw/zinc/44/05/34/473440534.db2.gz LCBHFTPLFRMVNO-BBRMVZONSA-N 0 3 330.428 2.857 40 0 EFABHN O=C1[C@@H](NCCn2cccn2)CCN1c1ccc(Cl)cc1Cl ZINC000190965764 473443703 /nfs/dbraw/zinc/44/37/03/473443703.db2.gz AQULBYQJXFZHRP-ZDUSSCGKSA-N 0 3 339.226 2.585 40 0 EFABHN O=S1(=O)CCC[C@@H](NCCc2c[nH]c3cc(Cl)ccc23)C1 ZINC000096491610 473447652 /nfs/dbraw/zinc/44/76/52/473447652.db2.gz DRXMILQSJAJSOY-CYBMUJFWSA-N 0 3 326.849 2.531 40 0 EFABHN COc1c(CN[C@@H]2CCN(c3cccc(Cl)c3)C2)c(C)nn1C ZINC000096494384 473450164 /nfs/dbraw/zinc/45/01/64/473450164.db2.gz CQWQQFPFHOKIFN-CQSZACIVSA-N 0 3 334.851 2.759 40 0 EFABHN C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000096500861 473452943 /nfs/dbraw/zinc/45/29/43/473452943.db2.gz CPOZXWSTQPAXDA-LZQZEXGQSA-N 0 3 345.487 2.631 40 0 EFABHN CC(C)N(CCN(C)C)C(=O)Nc1cncc(Br)c1 ZINC000096500850 473453030 /nfs/dbraw/zinc/45/30/30/473453030.db2.gz XLSAJKLHCMIVRY-UHFFFAOYSA-N 0 3 329.242 2.648 40 0 EFABHN Cc1cc(NC(=O)CN2CCN(C[C@H]3C(C)=CCC[C@H]3C)CC2)no1 ZINC000191044168 473464778 /nfs/dbraw/zinc/46/47/78/473464778.db2.gz RCALACLHHJWBRW-WBVHZDCISA-N 0 3 346.475 2.532 40 0 EFABHN C[C@H](Cn1cncn1)N[C@@H](C)c1ccc(Br)cc1F ZINC000126369436 473511761 /nfs/dbraw/zinc/51/17/61/473511761.db2.gz CREVIBIUOQMETR-ZJUUUORDSA-N 0 3 327.201 2.919 40 0 EFABHN C[C@@H](N[C@@H](C)Cn1cncn1)c1ccc(Br)cc1F ZINC000126369688 473511877 /nfs/dbraw/zinc/51/18/77/473511877.db2.gz CREVIBIUOQMETR-VHSXEESVSA-N 0 3 327.201 2.919 40 0 EFABHN Cn1cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(C(F)(F)F)n1 ZINC000170615864 473567014 /nfs/dbraw/zinc/56/70/14/473567014.db2.gz LGMYJLYHTIZIQE-MRVWCRGKSA-N 0 3 329.366 2.876 40 0 EFABHN CC(C)[C@@H](NC1CC(c2ccccc2F)C1)C(=O)N1CCOCC1 ZINC000127807059 473652153 /nfs/dbraw/zinc/65/21/53/473652153.db2.gz DAIWINBXEDQPJP-JTTJXQCZSA-N 0 3 334.435 2.545 40 0 EFABHN C[C@H](NC(=O)c1ccc(-n2cnnc2)cc1)[C@H](c1ccccc1)N(C)C ZINC000186496166 473682054 /nfs/dbraw/zinc/68/20/54/473682054.db2.gz SSOXHVQFKSTVGN-HNAYVOBHSA-N 0 3 349.438 2.689 40 0 EFABHN C[C@@H](C(=O)N[C@H]1CC[C@H](O)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000245565353 473720272 /nfs/dbraw/zinc/72/02/72/473720272.db2.gz WQNADXJXJMDERL-VDGAXYAQSA-N 0 3 344.499 2.749 40 0 EFABHN C[C@H]1CN(CCN2CCC[C@H](c3nc4c(s3)CCCC4)C2)CCO1 ZINC000192761979 473720509 /nfs/dbraw/zinc/72/05/09/473720509.db2.gz IUPQPMYXKPLPMG-HOTGVXAUSA-N 0 3 349.544 2.922 40 0 EFABHN CCOc1cncc(N2CC[C@H](CN(C)Cc3scnc3C)C2)n1 ZINC000192790030 473725759 /nfs/dbraw/zinc/72/57/59/473725759.db2.gz BESLGWRWAAJWLP-CQSZACIVSA-N 0 3 347.488 2.599 40 0 EFABHN COC[C@@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000194627713 473928926 /nfs/dbraw/zinc/92/89/26/473928926.db2.gz NAKSYSRMAGIPPI-HZPDHXFCSA-N 0 3 337.851 2.517 40 0 EFABHN COc1cccc2c1CCC[C@H]2NCc1cccc(OCC(N)=O)c1 ZINC000194903747 473973386 /nfs/dbraw/zinc/97/33/86/473973386.db2.gz WPGMFVZJDANDSR-GOSISDBHSA-N 0 3 340.423 2.727 40 0 EFABHN c1c[nH]c([C@H](N[C@@H]2CCN(CC3CCCC3)C2)c2cccnc2)n1 ZINC000195048975 473997627 /nfs/dbraw/zinc/99/76/27/473997627.db2.gz WTTFEDYHWBMBPK-QZTJIDSGSA-N 0 3 325.460 2.748 40 0 EFABHN CC(C)n1ccnc1CN1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195274303 474045370 /nfs/dbraw/zinc/04/53/70/474045370.db2.gz YIVZZEJXWDTJSK-GOSISDBHSA-N 0 3 327.476 2.813 40 0 EFABHN O=c1[nH]c(N2CCCN(Cc3ccccc3)CC2)nc2ccccc21 ZINC000195529740 474088994 /nfs/dbraw/zinc/08/89/94/474088994.db2.gz MFWGUIQCEIZOHY-UHFFFAOYSA-N 0 3 334.423 2.635 40 0 EFABHN COc1ccccc1N1CCC[C@H](N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1=O ZINC000195530787 474090630 /nfs/dbraw/zinc/09/06/30/474090630.db2.gz SZJBLFAIOLAPSK-ZZCKCESHSA-N 0 3 344.455 2.594 40 0 EFABHN C[C@H](C(=O)N1CCC(OC2CCOCC2)CC1)[C@@H](N)c1ccccc1 ZINC000195543433 474091670 /nfs/dbraw/zinc/09/16/70/474091670.db2.gz WFXVYEMKVRTUTF-HNAYVOBHSA-N 0 3 346.471 2.509 40 0 EFABHN C[C@@H]1CN(CCCCNC(=O)[C@H]2CSc3ccccc32)C[C@@H](C)O1 ZINC000195537295 474092071 /nfs/dbraw/zinc/09/20/71/474092071.db2.gz CQYLRDKBAXXDPX-INMHGKMJSA-N 0 3 348.512 2.882 40 0 EFABHN C[C@@H](c1ccccc1)n1ccc(NC(=O)C[C@H]2CSCCN2)n1 ZINC000195544106 474092985 /nfs/dbraw/zinc/09/29/85/474092985.db2.gz KGYYQIWCBVXLQE-ZFWWWQNUSA-N 0 3 330.457 2.526 40 0 EFABHN C[C@H](NC[C@@]1(O)CCOC1)c1cc2cc(Br)ccc2o1 ZINC000182073931 474094344 /nfs/dbraw/zinc/09/43/44/474094344.db2.gz XKTKINUAEFXICG-BONVTDFDSA-N 0 3 340.217 2.997 40 0 EFABHN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc(CCO)cc1 ZINC000195551660 474095000 /nfs/dbraw/zinc/09/50/00/474095000.db2.gz 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O=C(CN1CC[C@@H]2CCCC[C@H]2C1)NC(=O)Nc1ccccc1F ZINC000245285591 474573661 /nfs/dbraw/zinc/57/36/61/474573661.db2.gz XWUQWDSRQZOLTG-KBPBESRZSA-N 0 3 333.407 2.986 40 0 EFABHN CCc1nc2ccccc2c(N2CC[C@@](O)(c3nc(C)no3)C2)c1C ZINC000252487064 474672575 /nfs/dbraw/zinc/67/25/75/474672575.db2.gz HRPPLCSKKIOEKP-IBGZPJMESA-N 0 3 338.411 2.895 40 0 EFABHN CC1(C)[C@H](N[C@@H]2CCN(CCCc3ccccc3)C2=O)[C@H]2CCO[C@H]21 ZINC000252486596 474673592 /nfs/dbraw/zinc/67/35/92/474673592.db2.gz MESKWGARZPHVJP-NCXUSEDFSA-N 0 3 342.483 2.623 40 0 EFABHN C[C@H](CCNC(=O)NCCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000252508248 474685610 /nfs/dbraw/zinc/68/56/10/474685610.db2.gz XIALTOZRSMBYTB-QGZVFWFLSA-N 0 3 346.519 2.505 40 0 EFABHN CC1(C)[C@H](N[C@@H]2CCN(c3ccccc3Cl)C2=O)[C@@H]2CCO[C@H]21 ZINC000252586669 474698876 /nfs/dbraw/zinc/69/88/76/474698876.db2.gz RQZNFBLJHSWOJI-KSZJFAHPSA-N 0 3 334.847 2.848 40 0 EFABHN CN(CCC1OCCO1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000252586871 474699176 /nfs/dbraw/zinc/69/91/76/474699176.db2.gz UDUITLRQYCVITD-UKRRQHHQSA-N 0 3 332.227 2.646 40 0 EFABHN CN1CCCN(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)CC1 ZINC000253419240 474747505 /nfs/dbraw/zinc/74/75/05/474747505.db2.gz KXZXPGCOJUPTGT-OAHLLOKOSA-N 0 3 343.393 2.897 40 0 EFABHN CN1CCC(Oc2ccc(NCc3cn(C(C)(C)C)nn3)cn2)CC1 ZINC000253431122 474756260 /nfs/dbraw/zinc/75/62/60/474756260.db2.gz QERVTEUIJAGYGM-UHFFFAOYSA-N 0 3 344.463 2.513 40 0 EFABHN Cc1cc(-c2snnc2[C@@H]2CCCN(C[C@H]3CCOC3)C2)on1 ZINC000253600305 474770769 /nfs/dbraw/zinc/77/07/69/474770769.db2.gz NFIQCQLVOZRRFG-CHWSQXEVSA-N 0 3 334.445 2.717 40 0 EFABHN COc1ccc(-c2cnc3n2C[C@@H]2CN(Cc4ccoc4)C[C@H]32)cn1 ZINC000306145107 474811581 /nfs/dbraw/zinc/81/15/81/474811581.db2.gz ZYKVLLFXIFBKNJ-HOTGVXAUSA-N 0 3 336.395 2.776 40 0 EFABHN c1cc2n(n1)C[C@@H](CCNc1ncccn1)CN(CC1CCCC1)C2 ZINC000306142907 474812518 /nfs/dbraw/zinc/81/25/18/474812518.db2.gz XNYILMWYHCJOCL-KRWDZBQOSA-N 0 3 340.475 2.797 40 0 EFABHN O=c1[n-]c([C@H]2CCCCN2)nc2c1C[N@H+](CC1CCCCC1)CC2 ZINC000257246800 474928162 /nfs/dbraw/zinc/92/81/62/474928162.db2.gz IVWJDOYNHOEVKX-QGZVFWFLSA-N 0 3 330.476 2.935 40 0 EFABHN O=c1[n-]c([C@H]2CCCCN2)nc2c1C[N@@H+](CC1CCCCC1)CC2 ZINC000257246800 474928165 /nfs/dbraw/zinc/92/81/65/474928165.db2.gz IVWJDOYNHOEVKX-QGZVFWFLSA-N 0 3 330.476 2.935 40 0 EFABHN CCCCc1ncc(CN2CCO[C@@H](CCc3ccnc(N)c3)C2)[nH]1 ZINC000257281011 474928919 /nfs/dbraw/zinc/92/89/19/474928919.db2.gz ONHFEFVXVKPGLF-KRWDZBQOSA-N 0 3 343.475 2.563 40 0 EFABHN c1c[nH]c(-c2cncc(C[C@H]3CCCN(Cc4cncs4)C3)n2)n1 ZINC000257281244 474929816 /nfs/dbraw/zinc/92/98/16/474929816.db2.gz OOHKNLROSMRDBT-CYBMUJFWSA-N 0 3 340.456 2.778 40 0 EFABHN O=c1[n-]c([C@H]2CCCC[NH2+]2)nc2c1CCN(Cc1cccs1)C2 ZINC000257287591 474932048 /nfs/dbraw/zinc/93/20/48/474932048.db2.gz PQPJZZMEDPFIOH-CQSZACIVSA-N 0 3 330.457 2.617 40 0 EFABHN Cc1nc(-c2cncnc2[C@@H]2CCCN(Cc3ccccn3)C2)no1 ZINC000257298095 474937680 /nfs/dbraw/zinc/93/76/80/474937680.db2.gz RKCPNFQYERUDRM-CQSZACIVSA-N 0 3 336.399 2.610 40 0 EFABHN NCc1cnn(-c2ccccc2C(=O)NCc2ccc(Cl)cc2)c1 ZINC000257295863 474938908 /nfs/dbraw/zinc/93/89/08/474938908.db2.gz RAEOUJPUXFFCJX-UHFFFAOYSA-N 0 3 340.814 2.914 40 0 EFABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)COc1cccc(F)c1)C2 ZINC000257298637 474941361 /nfs/dbraw/zinc/94/13/61/474941361.db2.gz RMQWNAGDEOCACD-RMRDIRSESA-N 0 3 332.419 2.678 40 0 EFABHN Cc1csc(Nc2nccnc2C2CCN([C@H]3CCOC3)CC2)n1 ZINC000257310835 474947202 /nfs/dbraw/zinc/94/72/02/474947202.db2.gz UGVFQHKFDCQKOK-AWEZNQCLSA-N 0 3 345.472 2.953 40 0 EFABHN CCOc1ccc(CN2CC[C@H](c3nc(C)cn3C)C2)cc1CO ZINC000257315668 474950342 /nfs/dbraw/zinc/95/03/42/474950342.db2.gz VCIOAGBTXLXHJT-INIZCTEOSA-N 0 3 329.444 2.609 40 0 EFABHN Cc1cccnc1Nc1nccnc1C1CCN([C@@H]2CCOC2)CC1 ZINC000257318022 474951090 /nfs/dbraw/zinc/95/10/90/474951090.db2.gz VMDURURXXPJPPH-MRXNPFEDSA-N 0 3 339.443 2.892 40 0 EFABHN Cn1cc(CN2CCN(C)C[C@@H](Cc3cncc4ccccc43)C2)cn1 ZINC000257343297 474965860 /nfs/dbraw/zinc/96/58/60/474965860.db2.gz ZSHSQAYDLQLHFS-QGZVFWFLSA-N 0 3 349.482 2.575 40 0 EFABHN O=C(NCc1nnc(C2CC2)s1)N1CCN(C2CCCCC2)CC1 ZINC000333940273 476067506 /nfs/dbraw/zinc/06/75/06/476067506.db2.gz NXBOBYNTIYIOKF-UHFFFAOYSA-N 0 3 349.504 2.575 40 0 EFABHN C[C@@H]1OCC[C@]1(C)NCC(=O)Nc1ccc(Br)cc1 ZINC000300421636 476156696 /nfs/dbraw/zinc/15/66/96/476156696.db2.gz AJAANCHXKKRTGO-HZMBPMFUSA-N 0 3 327.222 2.545 40 0 EFABHN C[C@@H]1C[C@H](NC(=O)Cc2cc(Br)ccc2F)CCN1C ZINC000390835086 476806303 /nfs/dbraw/zinc/80/63/03/476806303.db2.gz CGRYFZYUAWPFHG-ZWNOBZJWSA-N 0 3 343.240 2.730 40 0 EFABHN Cc1ncc(CN2CCC[C@]3(CN(Cc4cncs4)C3=O)C2)s1 ZINC000585099415 479283431 /nfs/dbraw/zinc/28/34/31/479283431.db2.gz ISXQCRQVGFATDM-MRXNPFEDSA-N 0 3 348.497 2.533 40 0 EFABHN COC(=O)c1ccc(CN[C@@H](C)[C@@H](c2ccccc2)N(C)C)n1C ZINC000585141090 479299357 /nfs/dbraw/zinc/29/93/57/479299357.db2.gz PGQMVGOBDUMILU-KSSFIOAISA-N 0 3 329.444 2.593 40 0 EFABHN O[C@@]1(COc2ccc(F)c(F)c2)COCCN(C2CCCCC2)C1 ZINC000585281122 479308014 /nfs/dbraw/zinc/30/80/14/479308014.db2.gz FFRLDMJNUJRECI-GOSISDBHSA-N 0 3 341.398 2.740 40 0 EFABHN CCCOc1ccccc1CN1C[C@H](c2ccccc2)[C@@H](O)[C@H]1CO ZINC000585292217 479310460 /nfs/dbraw/zinc/31/04/60/479310460.db2.gz GEKMFVUFZKVNBT-SFHLNBCPSA-N 0 3 341.451 2.797 40 0 EFABHN OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)CN1Cc1ccc2cc[nH]c2c1 ZINC000585292761 479311139 /nfs/dbraw/zinc/31/11/39/479311139.db2.gz NQPXMWRSPCGCEB-MISYRCLQSA-N 0 3 340.398 2.628 40 0 EFABHN CC[C@@H](C(=O)NCC1CCN([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000575608371 479451217 /nfs/dbraw/zinc/45/12/17/479451217.db2.gz SKAXBQSIIJANQU-RTBURBONSA-N 0 3 330.472 2.797 40 0 EFABHN CC(C)Oc1ccc(C(=O)NCC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000575607527 479451483 /nfs/dbraw/zinc/45/14/83/479451483.db2.gz NPQWVWFYIWDLOS-SFHVURJKSA-N 0 3 346.471 2.705 40 0 EFABHN CC(C)Oc1ccc(C(=O)NCC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000575607526 479451716 /nfs/dbraw/zinc/45/17/16/479451716.db2.gz NPQWVWFYIWDLOS-GOSISDBHSA-N 0 3 346.471 2.705 40 0 EFABHN CN(C)CCOc1ccc(NC(=O)C[C@@H]2CCCO2)cc1Cl ZINC000096408508 521799667 /nfs/dbraw/zinc/79/96/67/521799667.db2.gz WMHCQBGTFFALIF-ZDUSSCGKSA-N 0 3 326.824 2.788 40 0 EFABHN CC(C)(C)SCCN1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000225786226 535029706 /nfs/dbraw/zinc/02/97/06/535029706.db2.gz YFEFOZGQVUWBSH-UHFFFAOYSA-N 0 3 337.489 2.555 40 0 EFABHN CN(C)CCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000038756090 535890201 /nfs/dbraw/zinc/89/02/01/535890201.db2.gz KDQCMSDPJWXGNI-UHFFFAOYSA-N 0 3 337.467 2.931 40 0 EFABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3)CC2)cn1 ZINC000225940332 535906776 /nfs/dbraw/zinc/90/67/76/535906776.db2.gz MITSHIDGQGYURE-UHFFFAOYSA-N 0 3 325.412 2.692 40 0 EFABHN CN1CCC[C@H](c2cncc(C(=O)NCc3ccccc3Cl)n2)C1 ZINC000257211255 536388027 /nfs/dbraw/zinc/38/80/27/536388027.db2.gz BYDXABUNGSLVNS-AWEZNQCLSA-N 0 3 344.846 2.869 40 0 EFABHN COC[C@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218048812 536680176 /nfs/dbraw/zinc/68/01/76/536680176.db2.gz MANRXEBQSVJHMS-CEXWTWQISA-N 0 3 345.464 2.526 40 0 EFABHN OCC1(NCc2cccc(OC3CC3)c2F)Cc2ccccc2C1 ZINC000657366577 547132652 /nfs/dbraw/zinc/13/26/52/547132652.db2.gz NHDRAYVLSVQDHP-UHFFFAOYSA-N 0 3 327.399 2.986 40 0 EFABHN C[C@@H](CN[C@H](C)C(=O)Nc1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000225583146 564149808 /nfs/dbraw/zinc/14/98/08/564149808.db2.gz STQGWJWPAJFOHU-JKSUJKDBSA-N 0 3 349.438 2.988 40 0 EFABHN CN1CCC(Nc2ncncc2-c2nc(-c3ccsc3)no2)CC1 ZINC000225580172 568423136 /nfs/dbraw/zinc/42/31/36/568423136.db2.gz KNQLPROALRGDMB-UHFFFAOYSA-N 0 3 342.428 2.761 40 0 EFABHN O=C(CNCc1cccc2[nH]ccc21)N1CCN(c2ccccc2)CC1 ZINC000237945356 729671707 /nfs/dbraw/zinc/67/17/07/729671707.db2.gz OJDBWBMQCIXKMP-UHFFFAOYSA-N 0 3 348.450 2.606 40 0 EFABHN CN(C)CCN(C(=O)Nc1ccccc1Cl)C1CCOCC1 ZINC000675019305 1099650533 /nfs/dbraw/zinc/65/05/33/1099650533.db2.gz MFJJQLLTDWDNAV-UHFFFAOYSA-N 0 3 325.840 2.915 40 0 EFABHN O=C(Cc1ccsc1)N(CCN1CCCCC1)C1CCOCC1 ZINC000675022660 1099657032 /nfs/dbraw/zinc/65/70/32/1099657032.db2.gz RDLBBQUJVBKMQT-UHFFFAOYSA-N 0 3 336.501 2.784 40 0 EFABHN COc1ccc(CNC2(C(=O)N3CCOCC3)CCCCC2)c(C)c1 ZINC000897892785 1106133565 /nfs/dbraw/zinc/13/35/65/1106133565.db2.gz CDQGHZGXNKIJPA-UHFFFAOYSA-N 0 3 346.471 2.655 40 0 EFABHN c1cnn(CCCO[C@H]2CN(Cc3cccs3)[C@@H]3CCCO[C@@H]32)c1 ZINC000097953594 219064759 /nfs/dbraw/zinc/06/47/59/219064759.db2.gz QYPZQDQUWPAWIM-SQNIBIBYSA-N 0 3 347.484 2.783 40 0 EFABHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cncc(F)c1 ZINC000132472278 529970851 /nfs/dbraw/zinc/97/08/51/529970851.db2.gz FYDBFKMIIFDANU-MRXNPFEDSA-N 0 3 327.403 2.815 40 0 EFABHN Cc1ccc(N2C(=O)c3ccccc3/C(=C\NCCN(C)C)C2=O)cc1 ZINC000102305264 219193570 /nfs/dbraw/zinc/19/35/70/219193570.db2.gz YBRUUQYWOHKPTL-XMHGGMMESA-N 0 3 349.434 2.674 40 0 EFABHN CN(C)[C@H](CNc1cncc(-n2cccn2)n1)c1cccc(F)c1 ZINC000068659159 215324449 /nfs/dbraw/zinc/32/44/49/215324449.db2.gz HMXZEIPTIKFHNK-OAHLLOKOSA-N 0 3 326.379 2.516 40 0 EFABHN CN(C)[C@@H](CNC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000040488198 213317963 /nfs/dbraw/zinc/31/79/63/213317963.db2.gz OILCYJUXEGWKIU-FQEVSTJZSA-N 0 3 348.450 2.834 40 0 EFABHN CN(C)[C@H](CNC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000040488199 213317505 /nfs/dbraw/zinc/31/75/05/213317505.db2.gz OILCYJUXEGWKIU-HXUWFJFHSA-N 0 3 348.450 2.834 40 0 EFABHN Fc1cnc(N2CCOC3(CCN(Cc4ccsc4)CC3)C2)nc1 ZINC000096049005 283035111 /nfs/dbraw/zinc/03/51/11/283035111.db2.gz UNLMKLFRKBIXEE-UHFFFAOYSA-N 0 3 348.447 2.549 40 0 EFABHN CCNc1cc(NCCNC(=O)c2c[nH]c3ccccc23)nc(C)n1 ZINC000038670680 213218665 /nfs/dbraw/zinc/21/86/65/213218665.db2.gz KODQKOOMYHMWCM-UHFFFAOYSA-N 0 3 338.415 2.540 40 0 EFABHN C[C@H](C(=O)NCc1ccc(CN(C)C)cc1)n1cnc2ccccc21 ZINC000036834366 213121070 /nfs/dbraw/zinc/12/10/70/213121070.db2.gz RRRSWDWXEDUWQA-OAHLLOKOSA-N 0 3 336.439 2.975 40 0 EFABHN COc1ccccc1[C@]1(O)CCCN(C[C@H](O)c2ccccc2)C1 ZINC000036741277 213116345 /nfs/dbraw/zinc/11/63/45/213116345.db2.gz DWRRNDHXFIIYEN-ICSRJNTNSA-N 0 3 327.424 2.712 40 0 EFABHN O=C([C@H]1CCCN(C[C@H](O)c2cccs2)C1)N1CCCCCC1 ZINC000036734365 213115220 /nfs/dbraw/zinc/11/52/20/213115220.db2.gz JNIBHYAJTCUVJN-HOTGVXAUSA-N 0 3 336.501 2.896 40 0 EFABHN CCOc1cc(CN[C@@H](C)c2ccccc2)ccc1OCC(N)=O ZINC000036612899 213101382 /nfs/dbraw/zinc/10/13/82/213101382.db2.gz XTWZSUUJAGBOSX-AWEZNQCLSA-N 0 3 328.412 2.800 40 0 EFABHN CN(C)Cc1ccc(CNC(=O)N2CCC([C@H]3CCCO3)CC2)cc1 ZINC000187263961 236162030 /nfs/dbraw/zinc/16/20/30/236162030.db2.gz VPFLNZXZNNKYPO-LJQANCHMSA-N 0 3 345.487 2.849 40 0 EFABHN O=C(Cc1ccc(F)cc1)NCC1CCN(c2ccncc2)CC1 ZINC000070928412 215723842 /nfs/dbraw/zinc/72/38/42/215723842.db2.gz APOAHAUHZJKJAN-UHFFFAOYSA-N 0 3 327.403 2.796 40 0 EFABHN CCOC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccccc2C(C)C)C1 ZINC000035075010 213007425 /nfs/dbraw/zinc/00/74/25/213007425.db2.gz UUJWJBPJLSKMCI-SJORKVTESA-N 0 3 349.471 2.825 40 0 EFABHN CN1CCC(N2CCOC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)CC1 ZINC000072322074 216150363 /nfs/dbraw/zinc/15/03/63/216150363.db2.gz YDASEVMKTAFCKQ-SFHVURJKSA-N 0 3 344.434 2.683 40 0 biogenic,in-vitro EFABHN COCCN1CCC[C@@H](c2nccnc2Nc2cccc(C)n2)C1 ZINC000072361796 216166793 /nfs/dbraw/zinc/16/67/93/216166793.db2.gz YLFDLZVFZFXKBM-OAHLLOKOSA-N 0 3 327.432 2.749 40 0 EFABHN Cc1cc(CCC(=O)Nc2nncs2)cc([C@H]2CCCN2C)n1 ZINC000072360562 216167693 /nfs/dbraw/zinc/16/76/93/216167693.db2.gz LAJRBETZWGHTIK-CQSZACIVSA-N 0 3 331.445 2.580 40 0 EFABHN CNCC(=O)N1CCC(c2nc(C)cc(Oc3ccccc3)n2)CC1 ZINC000072363316 216169841 /nfs/dbraw/zinc/16/98/41/216169841.db2.gz VLFHZLYSSLDBTH-UHFFFAOYSA-N 0 3 340.427 2.503 40 0 EFABHN c1ccc(Nc2nccnc2[C@@H]2CCCN2C2CCOCC2)nc1 ZINC000072363638 216170370 /nfs/dbraw/zinc/17/03/70/216170370.db2.gz FRMYPSHFDLBDSV-HNNXBMFYSA-N 0 3 325.416 2.931 40 0 EFABHN Cc1nccc(C2(C)CCN(C(=O)[C@]3(C)CCCCN3C)CC2)n1 ZINC000072367338 216174961 /nfs/dbraw/zinc/17/49/61/216174961.db2.gz BFSHSFWPKRWPTD-IBGZPJMESA-N 0 3 330.476 2.540 40 0 EFABHN Cc1nn(C)cc1CN1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1 ZINC000072389994 216189510 /nfs/dbraw/zinc/18/95/10/216189510.db2.gz CPMQRLNKUJFRME-OAHLLOKOSA-N 0 3 338.415 2.553 40 0 EFABHN Cn1nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)c2nccnc21 ZINC000072393837 216192017 /nfs/dbraw/zinc/19/20/17/216192017.db2.gz VOTVNDFRZFIFDE-AWEZNQCLSA-N 0 3 325.391 2.882 40 0 EFABHN COCCN1CCCC2(CCN(Cc3ccccc3OC)CC2)C1=O ZINC000108533816 219902161 /nfs/dbraw/zinc/90/21/61/219902161.db2.gz BHUJYGZYQMWPBM-UHFFFAOYSA-N 0 3 346.471 2.546 40 0 EFABHN Clc1sc(CNCCCn2ccnn2)cc1Br ZINC000191696170 239252709 /nfs/dbraw/zinc/25/27/09/239252709.db2.gz QTDJLFYWIWPVML-UHFFFAOYSA-N 0 3 335.658 2.935 40 0 EFABHN Cc1cc(N(C)C2CCN(CCc3ccccn3)CC2)nc(C)n1 ZINC000132125800 223303372 /nfs/dbraw/zinc/30/33/72/223303372.db2.gz RMYQZBKQZKVSJA-UHFFFAOYSA-N 0 3 325.460 2.632 40 0 EFABHN Brc1cc(CNCCc2ccccn2)cc2c1OCO2 ZINC000023674713 212389228 /nfs/dbraw/zinc/38/92/28/212389228.db2.gz YGKXMBWYNJCZSG-UHFFFAOYSA-N 0 3 335.201 2.905 40 0 EFABHN Cc1ccc(NC(=O)CNC[C@@H](c2ccccc2)N(C)C)cc1F ZINC000022038311 212273210 /nfs/dbraw/zinc/27/32/10/212273210.db2.gz XEJRWXMQAKGFLB-SFHVURJKSA-N 0 3 329.419 2.965 40 0 EFABHN COC[C@@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218048738 241294084 /nfs/dbraw/zinc/29/40/84/241294084.db2.gz MANRXEBQSVJHMS-QYZOEREBSA-N 0 3 345.464 2.526 40 0 EFABHN CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000021937888 212265700 /nfs/dbraw/zinc/26/57/00/212265700.db2.gz VSPYHYNZJMYBFA-UHFFFAOYSA-N 0 3 345.487 2.659 40 0 EFABHN CCc1noc(C2CCC(NCc3ncnn3C(C)(C)C)CC2)n1 ZINC000242389272 243018913 /nfs/dbraw/zinc/01/89/13/243018913.db2.gz ZVSNOXODNHZKNT-UHFFFAOYSA-N 0 3 332.452 2.795 40 0 EFABHN COc1ccc(CCNCc2cn(C)nc2C(F)(F)F)cc1OC ZINC000256054159 244067219 /nfs/dbraw/zinc/06/72/19/244067219.db2.gz VDVFXGWUXRDAQU-UHFFFAOYSA-N 0 3 343.349 2.788 40 0 EFABHN Cc1cn(C)c([C@H]2CCCN(Cc3cnn4c3nc(C)cc4C)C2)n1 ZINC000257207850 244141188 /nfs/dbraw/zinc/14/11/88/244141188.db2.gz BJPKCWMXBYVKJZ-INIZCTEOSA-N 0 3 338.459 2.768 40 0 EFABHN COCCN1CCC[C@H](c2nccnc2-c2ccnn2C(C)C)C1 ZINC000257212501 244153753 /nfs/dbraw/zinc/15/37/53/244153753.db2.gz CDSJSJRLMWENSN-HNNXBMFYSA-N 0 3 329.448 2.747 40 0 EFABHN CCc1cc(C[C@H]2CCCN(CC(=O)NC)CC2)c2cnccc2n1 ZINC000257222447 244189930 /nfs/dbraw/zinc/18/99/30/244189930.db2.gz DTIYCXLKCNYNLT-HNNXBMFYSA-N 0 3 340.471 2.583 40 0 EFABHN c1ccc2c(CN3CCOC[C@H](Cc4cnccn4)C3)ccnc2c1 ZINC000257230121 244209606 /nfs/dbraw/zinc/20/96/06/244209606.db2.gz GAXWDSWTKNCNKW-MRXNPFEDSA-N 0 3 334.423 2.716 40 0 EFABHN Cc1ncsc1CN1C[C@@H]2[C@H](N(C)c3cccnn3)CC[C@@H]2C1 ZINC000257231631 244215537 /nfs/dbraw/zinc/21/55/37/244215537.db2.gz GHOHTXFQJUXSBS-QLFBSQMISA-N 0 3 329.473 2.588 40 0 EFABHN CN1CCN(Cc2c[nH]cn2)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257242889 244248007 /nfs/dbraw/zinc/24/80/07/244248007.db2.gz IEPXOBNOOPWWBC-INIZCTEOSA-N 0 3 335.455 2.564 40 0 EFABHN CC1(c2ncc(Cl)s2)CCN(CC2(O)CCOCC2)CC1 ZINC000257239606 244237636 /nfs/dbraw/zinc/23/76/36/244237636.db2.gz HQCIHLVHDQCJPS-UHFFFAOYSA-N 0 3 330.881 2.692 40 0 EFABHN Cn1cc(CN2[C@H](c3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)cn1 ZINC000257240641 244242938 /nfs/dbraw/zinc/24/29/38/244242938.db2.gz HUMLJQPVSOEDJM-BJLQDIEVSA-N 0 3 338.455 2.795 40 0 EFABHN CO[C@H]1CN(Cc2ccc(N3CCCC3=O)cc2)CC[C@@]12CCCO2 ZINC000257260175 244292971 /nfs/dbraw/zinc/29/29/71/244292971.db2.gz LBQPAFXLFGMPEB-ICSRJNTNSA-N 0 3 344.455 2.583 40 0 EFABHN CNc1cc(C)nc([C@H]2CN(C(=O)c3cc(C(C)C)no3)CCO2)c1 ZINC000257265550 244360427 /nfs/dbraw/zinc/36/04/27/244360427.db2.gz LZDIOUFWUCNEIQ-QGZVFWFLSA-N 0 3 344.415 2.757 40 0 EFABHN CNc1cc(C)nc([C@H]2CN(C(=O)c3cccc(OC)c3)CCO2)c1 ZINC000257268166 244365911 /nfs/dbraw/zinc/36/59/11/244365911.db2.gz MKMXLSLMGFHXPE-GOSISDBHSA-N 0 3 341.411 2.654 40 0 EFABHN c1ccc(Nc2cc(CC3CCN([C@@H]4CCOC4)CC3)ncn2)nc1 ZINC000257261319 244346862 /nfs/dbraw/zinc/34/68/62/244346862.db2.gz LGTAZRRHIYMDSA-QGZVFWFLSA-N 0 3 339.443 2.659 40 0 EFABHN Cc1nccc([C@@H]2CCCN(Cc3cccc(OCCO)c3)C2)n1 ZINC000257272328 244382493 /nfs/dbraw/zinc/38/24/93/244382493.db2.gz NCADJAOGMZTVGB-QGZVFWFLSA-N 0 3 327.428 2.536 40 0 EFABHN COc1ccc(NC(=O)c2cnc(C3CCN(C)CC3)nc2C)cc1 ZINC000019763853 212063115 /nfs/dbraw/zinc/06/31/15/212063115.db2.gz ZTJKJUJBUHKBPK-UHFFFAOYSA-N 0 3 340.427 2.855 40 0 EFABHN CN(C)C[C@H]1CCCCN1C(=O)CCc1nc(-c2cccs2)no1 ZINC000019581936 212047501 /nfs/dbraw/zinc/04/75/01/212047501.db2.gz AHMIVHPIAUIGEX-CYBMUJFWSA-N 0 3 348.472 2.673 40 0 EFABHN Cc1nn(C[C@H](C)C(=O)NCCN2CCC(C)CC2)c(C)c1Cl ZINC000019578204 212047406 /nfs/dbraw/zinc/04/74/06/212047406.db2.gz JECUGYHXCDKRRI-ZDUSSCGKSA-N 0 3 340.899 2.638 40 0 EFABHN COc1ccc(C(=O)N2CCC[C@@H](c3cc4c[nH]ccc-4n3)C2)cn1 ZINC000019561858 212042448 /nfs/dbraw/zinc/04/24/48/212042448.db2.gz IGKRVAFDOHQOIC-CQSZACIVSA-N 0 3 336.395 2.986 40 0 EFABHN COc1ccc(C(=O)N2CCC[C@@H](c3cc4cnccc4[nH]3)C2)cn1 ZINC000019561858 212042450 /nfs/dbraw/zinc/04/24/50/212042450.db2.gz IGKRVAFDOHQOIC-CQSZACIVSA-N 0 3 336.395 2.986 40 0 EFABHN C[C@H](Cn1cnc2ccccc21)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000019457739 212030027 /nfs/dbraw/zinc/03/00/27/212030027.db2.gz CYQUFWHZCIXFPK-HZPDHXFCSA-N 0 3 328.460 2.615 40 0 EFABHN O[C@@H]1C[C@H]2CN(Cc3ccc(F)cc3)[C@H](Cc3ccccc3)CN2C1 ZINC000019372765 212023291 /nfs/dbraw/zinc/02/32/91/212023291.db2.gz MSWUIELLDOVATN-QHAWAJNXSA-N 0 3 340.442 2.688 40 0 EFABHN Cc1cc2nc([C@H]3CCCN(Cc4ccc(C)o4)C3)cc(N)n2n1 ZINC000019216613 212005205 /nfs/dbraw/zinc/00/52/05/212005205.db2.gz IXPVNGILTFEYSO-AWEZNQCLSA-N 0 3 325.416 2.901 40 0 EFABHN C[C@H](NCc1cccnc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000078553310 217075619 /nfs/dbraw/zinc/07/56/19/217075619.db2.gz GBJNFLHAINLNES-HNNXBMFYSA-N 0 3 328.435 2.823 40 0 EFABHN CC(C(=O)N[C@H](CCc1ccccc1)c1ccccc1)S(C)(=O)=O ZINC000079039383 217179734 /nfs/dbraw/zinc/17/97/34/217179734.db2.gz VWAMUBYPNVZKGG-CRAIPNDOSA-N 0 3 345.464 2.910 40 0 EFABHN C[C@H](NC1(CNC(=O)c2ccncc2)CCOCC1)c1ccccc1 ZINC000079096204 217191484 /nfs/dbraw/zinc/19/14/84/217191484.db2.gz KNRQSPWWQQAMAF-INIZCTEOSA-N 0 3 339.439 2.711 40 0 EFABHN CS[C@@H](C)C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000079096315 217192217 /nfs/dbraw/zinc/19/22/17/217192217.db2.gz NYXHOAVFJGWXBX-CABCVRRESA-N 0 3 336.501 2.754 40 0 EFABHN CC(=O)Nc1cccc(CN(C)C[C@@H](O)COCc2ccccc2)c1 ZINC000079311495 217207709 /nfs/dbraw/zinc/20/77/09/217207709.db2.gz FXQHZWQVAZEMDO-HXUWFJFHSA-N 0 3 342.439 2.655 40 0 EFABHN CN(C)Cc1ccc(C(=O)NCc2cnn(Cc3ccccc3)c2)cc1 ZINC000079336370 217211065 /nfs/dbraw/zinc/21/10/65/217211065.db2.gz KTOLOAJOHGGXSW-UHFFFAOYSA-N 0 3 348.450 2.923 40 0 EFABHN COc1ccc(C(C)(C)CN[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000079354939 217213977 /nfs/dbraw/zinc/21/39/77/217213977.db2.gz PHMPVLISRQPOGY-AWEZNQCLSA-N 0 3 344.377 2.726 40 0 EFABHN CC(C)[C@H](N)C(=O)N(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C ZINC000079391453 217219527 /nfs/dbraw/zinc/21/95/27/217219527.db2.gz VUYFTMASJWPWDS-GJZGRUSLSA-N 0 3 341.496 2.606 40 0 EFABHN CCN(C[C@H]1CCCCN1C(=O)[C@@H](N)C(C)C)C(=O)OC(C)(C)C ZINC000079410190 217222182 /nfs/dbraw/zinc/22/21/82/217222182.db2.gz SXMZWXDNTFYWMU-CABCVRRESA-N 0 3 341.496 2.608 40 0 EFABHN Cc1ccc2c(c1)CN(C(=O)Cc1ccsc1)[C@H](CN(C)C)CO2 ZINC000012406617 211370186 /nfs/dbraw/zinc/37/01/86/211370186.db2.gz WAHZDHLWLRFXJU-QGZVFWFLSA-N 0 3 344.480 2.950 40 0 EFABHN CCOC(=O)[C@@]1(Cc2cc(-c3cccc(F)c3)no2)CCCNC1 ZINC000012275193 211333718 /nfs/dbraw/zinc/33/37/18/211333718.db2.gz SVCOSIIRXLUCBT-GOSISDBHSA-N 0 3 332.375 2.956 40 0 EFABHN Cc1n[nH]c(C)c1CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000012196241 211317528 /nfs/dbraw/zinc/31/75/28/211317528.db2.gz OACQBGTYAVDCPU-UHFFFAOYSA-N 0 3 344.434 2.694 40 0 EFABHN C[C@@H]1Cc2cc([C@H](O)CN3CCCCC3)ccc2N1C(=O)C1CC1 ZINC000012181030 211311241 /nfs/dbraw/zinc/31/12/41/211311241.db2.gz XYHKPTLJDNZHQN-AUUYWEPGSA-N 0 3 328.456 2.894 40 0 EFABHN Cc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@@H]1C)CC1(CCN(C)CC1)O2 ZINC000012228267 211324988 /nfs/dbraw/zinc/32/49/88/211324988.db2.gz LWECJDOWUPPAGW-DOTOQJQBSA-N 0 3 328.456 2.836 40 0 EFABHN Cc1c(C(=O)N(C)C2CCN(C(C)C)CC2)nnn1-c1ccccc1 ZINC000012206245 211321293 /nfs/dbraw/zinc/32/12/93/211321293.db2.gz XKGJFKWYUHHBCW-UHFFFAOYSA-N 0 3 341.459 2.521 40 0 EFABHN Cc1cc(F)ccc1CN1CCC(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000091921198 218089472 /nfs/dbraw/zinc/08/94/72/218089472.db2.gz IVSOHUQBXZQAJS-IYBDPMFKSA-N 0 3 348.462 2.982 40 0 EFABHN Cc1ccc2c(CCNC(=O)N3CC[C@H]4CC[C@@H](C3)N4C)c[nH]c2c1 ZINC000095405305 218341370 /nfs/dbraw/zinc/34/13/70/218341370.db2.gz BVSNAHDOELSNLB-SJORKVTESA-N 0 3 340.471 2.897 40 0 EFABHN O=C(c1ncncc1Cl)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000178610716 296307166 /nfs/dbraw/zinc/30/71/66/296307166.db2.gz ZTAYFVXRXRHLNY-ZDUSSCGKSA-N 0 3 328.803 2.755 40 0 EFABHN C[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CCN(c2ccccc2)C1 ZINC000097375066 219018278 /nfs/dbraw/zinc/01/82/78/219018278.db2.gz CFSOAKNTEIODJR-DLBZAZTESA-N 0 3 344.480 2.717 40 0 EFABHN CC(C)Oc1cccc([C@H](C)NC(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000117032532 221025785 /nfs/dbraw/zinc/02/57/85/221025785.db2.gz LREZYYSOHHRBNE-YJBOKZPZSA-N 0 3 349.475 2.507 40 0 EFABHN C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)C[C@H](COCC1CC1)CCN2CC1CC1 ZINC000306128517 257919011 /nfs/dbraw/zinc/91/90/11/257919011.db2.gz HCWSWOIDALXQKT-LZQZEXGQSA-N 0 3 346.515 2.772 40 0 EFABHN Brc1cc2c(c(CNCCCn3ccnc3)c1)OCC2 ZINC000122384502 222076393 /nfs/dbraw/zinc/07/63/93/222076393.db2.gz XPYXBOMXSSWFFX-UHFFFAOYSA-N 0 3 336.233 2.760 40 0 EFABHN Cc1noc(C)c1CCN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000165987487 544850181 /nfs/dbraw/zinc/85/01/81/544850181.db2.gz JUWPOKPFGZZUSL-HNNXBMFYSA-N 0 3 325.416 2.756 40 0 EFABHN CC(C)[C@H](C)NC(=O)C1CCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000096493054 273552565 /nfs/dbraw/zinc/55/25/65/273552565.db2.gz FGSWXICBKPVXMT-KYNGSXCRSA-N 0 3 330.472 2.517 40 0 EFABHN CN1CCC2(CC1)C[C@H](NC(=O)c1ccncc1)c1ccccc1O2 ZINC000096242695 273872013 /nfs/dbraw/zinc/87/20/13/273872013.db2.gz FUERKZOBMNDWTN-KRWDZBQOSA-N 0 3 337.423 2.800 40 0 EFABHN COCCN1c2ccccc2C2(CCN(Cc3ccco3)CC2)C1=O ZINC000096052508 274035923 /nfs/dbraw/zinc/03/59/23/274035923.db2.gz FOBGRLSWGVWJAC-UHFFFAOYSA-N 0 3 340.423 2.806 40 0 EFABHN CO[C@H]1CCN(Cc2ccsc2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096109458 274080936 /nfs/dbraw/zinc/08/09/36/274080936.db2.gz KOCLSUVSOXBCNR-OTWHNJEPSA-N 0 3 343.496 2.864 40 0 EFABHN c1ccc2ncc(CNC[C@H]3COCc4nc5cccnc5n43)cc2c1 ZINC000096112787 275072257 /nfs/dbraw/zinc/07/22/57/275072257.db2.gz PWQDJRIEHZSARV-INIZCTEOSA-N 0 3 345.406 2.841 40 0 biogenic,in-vitro EFABHN CC=C1CN[C@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@@H]1[C@@H]2C(=O)OC ZINC000001842531 277747742 /nfs/dbraw/zinc/74/77/42/277747742.db2.gz NKTORRNHKYVXSU-IITWYFFZSA-N 0 3 338.407 2.620 40 0 EFABHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000037171431 279066370 /nfs/dbraw/zinc/06/63/70/279066370.db2.gz OXPZFVCBKUMFQO-SCLBCKFNSA-N 0 3 339.395 2.849 40 0 EFABHN O=C1C[C@@H](c2ccncc2)C2(CCN(Cc3ccsc3)CC2)N1 ZINC000096199897 280269912 /nfs/dbraw/zinc/26/99/12/280269912.db2.gz NMILXDFLCDDVAE-INIZCTEOSA-N 0 3 327.453 2.781 40 0 EFABHN C[C@@H]1CCc2c(C(=O)Nc3ccnn3CCN(C)C)csc2C1 ZINC000294132222 295116375 /nfs/dbraw/zinc/11/63/75/295116375.db2.gz QEJUHKYYOFVUSA-GFCCVEGCSA-N 0 3 332.473 2.883 40 0 EFABHN COc1ccc(CN[C@@H](CN2CCN(C)CC2)c2ccccc2)cc1 ZINC000069171316 295134911 /nfs/dbraw/zinc/13/49/11/295134911.db2.gz FEKOQCMLUZZJEJ-NRFANRHFSA-N 0 3 339.483 2.774 40 0 EFABHN CC(C)n1ncnc1CN1CCN(c2ccnc3ccccc32)CC1 ZINC000297605015 310913280 /nfs/dbraw/zinc/91/32/80/310913280.db2.gz KENDAAMRJKXLDQ-UHFFFAOYSA-N 0 3 336.443 2.729 40 0 EFABHN C[C@H]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c2c([O-])cccc21 ZINC000333254863 311590367 /nfs/dbraw/zinc/59/03/67/311590367.db2.gz HQGHQAZOOCOVDP-DZGCQCFKSA-N 0 3 340.427 2.667 40 0 EFABHN O=C(NCCCNCc1cccnc1)c1csc2c1CCCC2 ZINC000120818301 323215802 /nfs/dbraw/zinc/21/58/02/323215802.db2.gz FLNZAAQBRXIJOL-UHFFFAOYSA-N 0 3 329.469 2.932 40 0 EFABHN CN(C)CCn1ccc(NCc2sccc2Br)n1 ZINC000185043879 323381364 /nfs/dbraw/zinc/38/13/64/323381364.db2.gz SJEQNMSUBZAALQ-UHFFFAOYSA-N 0 3 329.267 2.881 40 0 EFABHN COc1ccc(NC(=O)C[C@H]2CNCCO2)cc1Cc1ccccc1 ZINC000195543101 323529307 /nfs/dbraw/zinc/52/93/07/323529307.db2.gz CNZRMEZRFICFOV-SFHVURJKSA-N 0 3 340.423 2.603 40 0 EFABHN COc1ccc(NCc2n[nH]c([C@H](N)c3ccc(F)cc3)n2)cc1 ZINC000095533278 473222279 /nfs/dbraw/zinc/22/22/79/473222279.db2.gz PHPQIAJMXGWSLP-MRXNPFEDSA-N 0 3 327.363 2.613 40 0 EFABHN COc1ccc(-c2nc([C@@H](N)c3ccc(OC)c(OC)c3)n[nH]2)cc1 ZINC000095533799 473222323 /nfs/dbraw/zinc/22/23/23/473222323.db2.gz WRXGRHBPAAUYFJ-INIZCTEOSA-N 0 3 340.383 2.546 40 0 EFABHN COc1ccc([C@@H](N)c2n[nH]c(-c3ccc(OC)c(OC)c3)n2)cc1 ZINC000095533723 473222655 /nfs/dbraw/zinc/22/26/55/473222655.db2.gz MDHOJRIWJFBMSV-MRXNPFEDSA-N 0 3 340.383 2.546 40 0 EFABHN CC[C@@H]1N(Cc2ccc(C)o2)CCC[C@]12CCC(=O)N2CCOC ZINC000096038508 473258220 /nfs/dbraw/zinc/25/82/20/473258220.db2.gz YLJARHDOFMXADX-HKUYNNGSSA-N 0 3 334.460 2.970 40 0 EFABHN Cc1cccc(CN2C[C@@H](Nc3ccccn3)[C@H]3OCCC[C@H]3C2)n1 ZINC000096040686 473261203 /nfs/dbraw/zinc/26/12/03/473261203.db2.gz JQMKLLNTBPENCV-HQRMLTQVSA-N 0 3 338.455 2.877 40 0 EFABHN O=C(NC[C@@H]1CC[C@H](O)C1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000190407347 473262846 /nfs/dbraw/zinc/26/28/46/473262846.db2.gz GXVUJKOROBPEGR-QYZOEREBSA-N 0 3 345.487 2.501 40 0 EFABHN O=C(c1cscn1)N1CCC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096046544 473266346 /nfs/dbraw/zinc/26/63/46/473266346.db2.gz MBVCAFCAMRVRQH-UHFFFAOYSA-N 0 3 342.468 2.666 40 0 EFABHN O=C(c1cscn1)N1CCC2(C1)CCN(Cc1ccco1)CC2 ZINC000096046535 473266780 /nfs/dbraw/zinc/26/67/80/473266780.db2.gz CZDZWVHAXGTUJN-UHFFFAOYSA-N 0 3 331.441 2.864 40 0 EFABHN Cc1ccc(CN2CCC[C@]3(CCCCN3S(C)(=O)=O)C2)s1 ZINC000096047420 473268207 /nfs/dbraw/zinc/26/82/07/473268207.db2.gz UZVQSBZWXJWAAV-MRXNPFEDSA-N 0 3 342.530 2.837 40 0 EFABHN Cn1cc(CN2CCC3(CC2)CCN(Cc2nccs2)CC3)cn1 ZINC000096047214 473268476 /nfs/dbraw/zinc/26/84/76/473268476.db2.gz YDQGGOUVSJLEKV-UHFFFAOYSA-N 0 3 345.516 2.755 40 0 EFABHN O=C(Cc1cccnc1)N1CCC[C@@]2(CCN(Cc3ccco3)C2)C1 ZINC000096047110 473268686 /nfs/dbraw/zinc/26/86/86/473268686.db2.gz RMOPKOVTZUGEQC-FQEVSTJZSA-N 0 3 339.439 2.732 40 0 EFABHN CN(Cc1cccnc1)[C@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096047972 473268948 /nfs/dbraw/zinc/26/89/48/473268948.db2.gz GHFCZYCTCSUJHM-GOSISDBHSA-N 0 3 341.455 2.930 40 0 EFABHN COCCN1C(=O)CC[C@]12CCCN(Cc1ccc(OC)cc1)CC2 ZINC000096047527 473270037 /nfs/dbraw/zinc/27/00/37/473270037.db2.gz MKTHOYTYHHMCNQ-FQEVSTJZSA-N 0 3 346.471 2.689 40 0 EFABHN Cc1ccc(CN2CCC3(CC2)CN(Cc2cccnc2)CCO3)o1 ZINC000096048933 473270682 /nfs/dbraw/zinc/27/06/82/473270682.db2.gz STQDPGWSAPTNGE-UHFFFAOYSA-N 0 3 341.455 2.850 40 0 EFABHN Cc1ccc(CN2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)o1 ZINC000096048346 473271278 /nfs/dbraw/zinc/27/12/78/473271278.db2.gz IVEJELFOAQESEA-YJBOKZPZSA-N 0 3 328.416 2.614 40 0 EFABHN Cc1ccc(CN2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)o1 ZINC000096048621 473271382 /nfs/dbraw/zinc/27/13/82/473271382.db2.gz OSUUBLIAPKMCFK-HXUWFJFHSA-N 0 3 339.439 2.998 40 0 EFABHN Cc1ccc(CN2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)o1 ZINC000096048620 473271664 /nfs/dbraw/zinc/27/16/64/473271664.db2.gz OSUUBLIAPKMCFK-FQEVSTJZSA-N 0 3 339.439 2.998 40 0 EFABHN Cc1ccc(CN2CCC3(CC2)CN(Cc2ccccn2)CCO3)o1 ZINC000096048958 473272207 /nfs/dbraw/zinc/27/22/07/473272207.db2.gz XCQWXAHADAKBGJ-UHFFFAOYSA-N 0 3 341.455 2.850 40 0 EFABHN c1coc(CN2CCC3(CC2)CN(Cc2ccccn2)CCO3)c1 ZINC000096048954 473272514 /nfs/dbraw/zinc/27/25/14/473272514.db2.gz IRLWZGTWCLEOGR-UHFFFAOYSA-N 0 3 327.428 2.542 40 0 EFABHN c1cc(CN2CCC[C@@]3(C2)COCCN(c2ncccn2)C3)cs1 ZINC000096049511 473273057 /nfs/dbraw/zinc/27/30/57/473273057.db2.gz DQNLYXXVROGSCG-SFHVURJKSA-N 0 3 344.484 2.657 40 0 EFABHN c1cc(CN2CCC[C@]3(C2)COCCN(c2ncccn2)C3)cs1 ZINC000096049512 473273643 /nfs/dbraw/zinc/27/36/43/473273643.db2.gz DQNLYXXVROGSCG-GOSISDBHSA-N 0 3 344.484 2.657 40 0 EFABHN O=C1C[C@@]2(CCN(Cc3ccccn3)C2)CN1c1cccc(F)c1 ZINC000096050730 473274637 /nfs/dbraw/zinc/27/46/37/473274637.db2.gz YRAZNFYEQXQQBX-LJQANCHMSA-N 0 3 325.387 2.850 40 0 EFABHN O=C1[C@H]2CN(Cc3ccsc3)C[C@H]2CN1Cc1cccc(F)c1 ZINC000096053710 473275657 /nfs/dbraw/zinc/27/56/57/473275657.db2.gz UVSMEYANHZOTJD-RDJZCZTQSA-N 0 3 330.428 2.978 40 0 EFABHN c1csc(CN2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096055161 473277948 /nfs/dbraw/zinc/27/79/48/473277948.db2.gz IUORXDZPHVOVBO-IEBWSBKVSA-N 0 3 343.496 2.866 40 0 EFABHN Cc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3Cc2ccncc2)s1 ZINC000096055680 473278132 /nfs/dbraw/zinc/27/81/32/473278132.db2.gz WUXAEHYHWVRROU-DLBZAZTESA-N 0 3 327.453 2.827 40 0 EFABHN Cc1ccc(CN2CCN3C[C@H](OCc4ccccn4)C[C@@H]3C2)s1 ZINC000096055123 473278611 /nfs/dbraw/zinc/27/86/11/473278611.db2.gz SQXOYEIHHGXUSK-QZTJIDSGSA-N 0 3 343.496 2.927 40 0 EFABHN Cc1cccc(CO[C@H]2C[C@H]3CN(Cc4cccs4)CCN3C2)n1 ZINC000096055069 473278813 /nfs/dbraw/zinc/27/88/13/473278813.db2.gz ALPOSNWRPHAPTP-ROUUACIJSA-N 0 3 343.496 2.927 40 0 EFABHN CN(Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC000096054582 473279930 /nfs/dbraw/zinc/27/99/30/473279930.db2.gz YUYIWESOKHMODH-QILLFSRXSA-N 0 3 327.428 2.980 40 0 EFABHN c1cnn(CCCO[C@@H]2CN(Cc3cccs3)[C@@H]3CCCO[C@H]23)c1 ZINC000096058164 473280574 /nfs/dbraw/zinc/28/05/74/473280574.db2.gz QYPZQDQUWPAWIM-KURKYZTESA-N 0 3 347.484 2.783 40 0 EFABHN COc1ccc(CN2CCc3ncnc([C@@H]4CCOC4)c3CC2)cc1 ZINC000096058647 473282757 /nfs/dbraw/zinc/28/27/57/473282757.db2.gz UTAIDLCJUBJTBY-MRXNPFEDSA-N 0 3 339.439 2.590 40 0 EFABHN O=c1ccc2c(n1CC1CC1)CCN(Cc1ccc(F)cc1)CC2 ZINC000096059351 473283028 /nfs/dbraw/zinc/28/30/28/473283028.db2.gz RIIMXGQIJZLXHN-UHFFFAOYSA-N 0 3 326.415 2.998 40 0 EFABHN COc1ccc(CN2CCc3ncnc(OC(C)C)c3CC2)cc1 ZINC000096058784 473283059 /nfs/dbraw/zinc/28/30/59/473283059.db2.gz MJRPOALBRIFEMG-UHFFFAOYSA-N 0 3 327.428 2.873 40 0 EFABHN Cc1ccc(CN2CCc3ncnc([C@H]4CCOC4)c3CC2)s1 ZINC000096058640 473283555 /nfs/dbraw/zinc/28/35/55/473283555.db2.gz LZPJGVYOJOYGLH-AWEZNQCLSA-N 0 3 329.469 2.951 40 0 EFABHN c1cc(CNC[C@@H]2OCCc3cn(CC4CCOCC4)nc32)cs1 ZINC000096059763 473283631 /nfs/dbraw/zinc/28/36/31/473283631.db2.gz RTNGXRBZFZZRMA-KRWDZBQOSA-N 0 3 347.484 2.775 40 0 EFABHN CN(C)C(=O)[C@@H]1OC2(CCN(Cc3ccco3)CC2)c2ccccc21 ZINC000096058364 473284377 /nfs/dbraw/zinc/28/43/77/473284377.db2.gz HHIFFMYLXIQVIC-GOSISDBHSA-N 0 3 340.423 2.930 40 0 EFABHN C[C@@H]1N(CC2CC2)C(=O)COC12CCN(Cc1ccc(F)cc1)CC2 ZINC000096062247 473286200 /nfs/dbraw/zinc/28/62/00/473286200.db2.gz JMCNMZROIASAPI-HNNXBMFYSA-N 0 3 346.446 2.818 40 0 EFABHN c1csc(CN2CCC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)c1 ZINC000096073769 473289362 /nfs/dbraw/zinc/28/93/62/473289362.db2.gz NXQJJXWQEMDRAY-WMLDXEAASA-N 0 3 330.457 2.774 40 0 EFABHN CCN1CCC2(CC1)C[C@@H](NC(=O)c1ccno1)c1ccccc1O2 ZINC000096079767 473290772 /nfs/dbraw/zinc/29/07/72/473290772.db2.gz AAGHNTDLAMPKGU-OAHLLOKOSA-N 0 3 341.411 2.783 40 0 EFABHN CCN1CCC2(CC1)C[C@H](NCc1cncn1C)c1ccccc1O2 ZINC000096079754 473291323 /nfs/dbraw/zinc/29/13/23/473291323.db2.gz LJNAWVXYPWOKLI-SFHVURJKSA-N 0 3 340.471 2.888 40 0 EFABHN c1csc(N[C@@H]2COC3(C2)CCN(Cc2cccnc2)CC3)n1 ZINC000096074230 473292064 /nfs/dbraw/zinc/29/20/64/473292064.db2.gz MVPKIJXHCOHKAA-HNNXBMFYSA-N 0 3 330.457 2.774 40 0 EFABHN O=C1C[C@]2(CCN(Cc3ccc(F)cc3)C2)CN1c1ccccn1 ZINC000096090380 473294036 /nfs/dbraw/zinc/29/40/36/473294036.db2.gz AGTJTKZPNAAYSI-IBGZPJMESA-N 0 3 325.387 2.850 40 0 EFABHN c1ccc(O[C@H]2COC3(C2)CCN(Cc2cccnc2)CC3)nc1 ZINC000096106962 473298750 /nfs/dbraw/zinc/29/87/50/473298750.db2.gz KBGXTVLQKZONKR-QGZVFWFLSA-N 0 3 325.412 2.679 40 0 EFABHN c1ccc(CO[C@H]2COC3(C2)CCN(Cc2cccnc2)CC3)nc1 ZINC000096106886 473298835 /nfs/dbraw/zinc/29/88/35/473298835.db2.gz JPJDTZVTHUVDDT-LJQANCHMSA-N 0 3 339.439 2.817 40 0 EFABHN c1cc(CN2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)cs1 ZINC000096108764 473301989 /nfs/dbraw/zinc/30/19/89/473301989.db2.gz SCLQMTZDFVSYLZ-QZTJIDSGSA-N 0 3 337.485 2.640 40 0 EFABHN Cc1nc(COC[C@]23COC[C@H]2CN(Cc2cccnc2)C3)cs1 ZINC000096108910 473302228 /nfs/dbraw/zinc/30/22/28/473302228.db2.gz NLWIRERWUAOVMW-AEFFLSMTSA-N 0 3 345.468 2.512 40 0 EFABHN O=C(NCc1ccco1)[C@H]1CCC2(CCN(Cc3ccco3)CC2)O1 ZINC000096109995 473303940 /nfs/dbraw/zinc/30/39/40/473303940.db2.gz XMODVGQVNRRTLR-QGZVFWFLSA-N 0 3 344.411 2.703 40 0 EFABHN Cc1occc1C(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161694 473320027 /nfs/dbraw/zinc/32/00/27/473320027.db2.gz IIOQZNRNRVJOOW-IYBDPMFKSA-N 0 3 328.387 2.931 40 0 EFABHN COCCN1CCC2(CCCC(=O)N2Cc2cccc(F)c2)CC1 ZINC000096158609 473317628 /nfs/dbraw/zinc/31/76/28/473317628.db2.gz HWWVIHUPHMPAQM-UHFFFAOYSA-N 0 3 334.435 2.819 40 0 EFABHN O=C(c1cscn1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2)C1 ZINC000096158119 473317849 /nfs/dbraw/zinc/31/78/49/473317849.db2.gz IVBPQFASJMTRLC-SFHVURJKSA-N 0 3 342.468 2.666 40 0 EFABHN Cc1noc(C)c1CN1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161687 473320217 /nfs/dbraw/zinc/32/02/17/473320217.db2.gz LRFJJCAOFAPBML-CALCHBBNSA-N 0 3 329.419 2.994 40 0 EFABHN Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4ccncc4)CCN3C2)c1 ZINC000096183540 473324835 /nfs/dbraw/zinc/32/48/35/473324835.db2.gz GYGBZFITHINBCW-PKOBYXMFSA-N 0 3 327.403 2.558 40 0 EFABHN Cc1ccc(CN2CCc3nc(C(=O)N(C)C)sc3CC2)s1 ZINC000096187574 473328956 /nfs/dbraw/zinc/32/89/56/473328956.db2.gz BMAZZQMHPBMIQF-UHFFFAOYSA-N 0 3 335.498 2.816 40 0 EFABHN Cc1cccc(Cn2c(=O)ccc3c2CCN(Cc2ccco2)CC3)n1 ZINC000096196727 473332222 /nfs/dbraw/zinc/33/22/22/473332222.db2.gz VJXBXQCCQFGASM-UHFFFAOYSA-N 0 3 349.434 2.794 40 0 EFABHN CO[C@H]1CCN(Cc2ccc3c(c2)OCO3)[C@H]1Cc1cccnc1 ZINC000096200478 473335984 /nfs/dbraw/zinc/33/59/84/473335984.db2.gz ZRXBVOQJQVRTPQ-IRXDYDNUSA-N 0 3 326.396 2.642 40 0 EFABHN c1csc(CN2CC[C@@]3(C2)COCCN(Cc2ccccn2)C3)c1 ZINC000096202175 473336987 /nfs/dbraw/zinc/33/69/87/473336987.db2.gz JHQLOCGHGWXDBY-IBGZPJMESA-N 0 3 343.496 2.868 40 0 EFABHN C[C@H]1CN(Cc2ccco2)C[C@@]12COCCN(Cc1nccs1)C2 ZINC000096202393 473337378 /nfs/dbraw/zinc/33/73/78/473337378.db2.gz JICZHWVGYATKAY-YJBOKZPZSA-N 0 3 347.484 2.707 40 0 EFABHN O=C1N(Cc2cccnc2)CC12CCN(Cc1ccc(F)cc1)CC2 ZINC000096202870 473339134 /nfs/dbraw/zinc/33/91/34/473339134.db2.gz RBVFRAWQBOMMNT-UHFFFAOYSA-N 0 3 339.414 2.845 40 0 EFABHN c1csc(CN2CC[C@]3(C2)COCCN(Cc2cccnc2)C3)c1 ZINC000096202178 473337895 /nfs/dbraw/zinc/33/78/95/473337895.db2.gz WZIFMGPUUPMFOC-LJQANCHMSA-N 0 3 343.496 2.868 40 0 EFABHN Cc1ccccc1CN1CC[C@]2(C1)C[C@@H](N1CCCC1=O)CCO2 ZINC000096207532 473343086 /nfs/dbraw/zinc/34/30/86/473343086.db2.gz TYVMBSVWTGPQIL-AZUAARDMSA-N 0 3 328.456 2.741 40 0 EFABHN O=C(N[C@@H]1CCO[C@]2(CCN(Cc3ccccc3)C2)C1)N1CCCC1 ZINC000096206925 473343362 /nfs/dbraw/zinc/34/33/62/473343362.db2.gz XLIFRYPYZXPAGC-UYAOXDASSA-N 0 3 343.471 2.616 40 0 EFABHN CN(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3cccs3)C2)O1 ZINC000096207658 473342465 /nfs/dbraw/zinc/34/24/65/473342465.db2.gz ITZGCKDUCNAKIO-WMLDXEAASA-N 0 3 337.489 2.533 40 0 EFABHN Cc1cccc(CN2CC[C@]3(C2)C[C@H](N2CCCC2=O)CCO3)c1 ZINC000096209231 473345478 /nfs/dbraw/zinc/34/54/78/473345478.db2.gz HFQMLLOUQDROFV-UYAOXDASSA-N 0 3 328.456 2.741 40 0 EFABHN c1coc(CN2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)c1 ZINC000096215467 473346333 /nfs/dbraw/zinc/34/63/33/473346333.db2.gz KVGGEYVLIAGEQY-BMFZPTHFSA-N 0 3 329.400 2.620 40 0 EFABHN CN(C)C(=O)N1CC[C@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216492 473349805 /nfs/dbraw/zinc/34/98/05/473349805.db2.gz NFVRGRDFZLZWDN-LJQANCHMSA-N 0 3 331.460 2.535 40 0 EFABHN COc1ccc(CN2C[C@H]3OC[C@@H](COc4ccncc4)[C@H]3C2)cc1 ZINC000096220250 473354112 /nfs/dbraw/zinc/35/41/12/473354112.db2.gz WCIFCUNQLJVTMB-NSISKUIASA-N 0 3 340.423 2.616 40 0 EFABHN c1csc(CN2CCC3(C[C@H](Nc4ncccn4)CO3)CC2)c1 ZINC000096221546 473354273 /nfs/dbraw/zinc/35/42/73/473354273.db2.gz WGNWCJZXCFZPBC-AWEZNQCLSA-N 0 3 330.457 2.774 40 0 EFABHN O=C1N(Cc2ccncc2)CC[C@@]12CCCN(Cc1ccoc1)C2 ZINC000096224435 473356321 /nfs/dbraw/zinc/35/63/21/473356321.db2.gz FYHYAVAXNCNVID-LJQANCHMSA-N 0 3 325.412 2.689 40 0 EFABHN O=C(NCc1ccco1)C1=NO[C@]2(CCN(CC3CCCCC3)C2)C1 ZINC000096225880 473356766 /nfs/dbraw/zinc/35/67/66/473356766.db2.gz YYEMJPZYRCQFFJ-LJQANCHMSA-N 0 3 345.443 2.697 40 0 EFABHN Cc1ccc(CN2CC[C@]3(C2)COCc2cnc(N(C)C)nc23)cc1 ZINC000096243981 473361974 /nfs/dbraw/zinc/36/19/74/473361974.db2.gz HCTCRCGJIQWVLP-FQEVSTJZSA-N 0 3 338.455 2.525 40 0 EFABHN Cc1nc(CN2C[C@@H]3CN(Cc4cccs4)C[C@@H]3C2=O)cs1 ZINC000096245104 473362117 /nfs/dbraw/zinc/36/21/17/473362117.db2.gz CVBPTDBRBHFXDZ-WFASDCNBSA-N 0 3 333.482 2.603 40 0 EFABHN Cc1ccccc1CN1CC[C@]2(C1)COCc1cnc(N(C)C)nc12 ZINC000096244005 473362275 /nfs/dbraw/zinc/36/22/75/473362275.db2.gz NLGZXLKGCMGWNV-FQEVSTJZSA-N 0 3 338.455 2.525 40 0 EFABHN Cc1nc(N(C)C)nc2c1COC[C@]21CCN(Cc2ccccc2)C1 ZINC000096244394 473362298 /nfs/dbraw/zinc/36/22/98/473362298.db2.gz UVVWBBUNEFBCRW-HXUWFJFHSA-N 0 3 338.455 2.525 40 0 EFABHN Cc1cccc(CN2CCO[C@H]3CN(CCc4ccccc4)C[C@H]32)n1 ZINC000096248841 473363455 /nfs/dbraw/zinc/36/34/55/473363455.db2.gz ZCEQTZJJNSPSJU-RTWAWAEBSA-N 0 3 337.467 2.518 40 0 EFABHN Cc1noc(C)c1CN1CC[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC000096246162 473364876 /nfs/dbraw/zinc/36/48/76/473364876.db2.gz QVVJUSPVDSFRIG-ZWKOTPCHSA-N 0 3 339.439 2.886 40 0 EFABHN CCc1ccc(CN2CCc3ncnc(-c4cnn(C)c4)c3CC2)o1 ZINC000096255192 473366184 /nfs/dbraw/zinc/36/61/84/473366184.db2.gz IOZFUHIKVIMOKE-UHFFFAOYSA-N 0 3 337.427 2.633 40 0 EFABHN Cn1cc(-c2ncnc3c2CCN(Cc2ccc(F)cc2)CC3)cn1 ZINC000096255195 473366844 /nfs/dbraw/zinc/36/68/44/473366844.db2.gz GAFQQAGYOODWQH-UHFFFAOYSA-N 0 3 337.402 2.617 40 0 EFABHN OCCN1CCC(c2nc3ccc(-c4ccsc4)cn3n2)CC1 ZINC000096260721 473368102 /nfs/dbraw/zinc/36/81/02/473368102.db2.gz IASIBCOOHFCWCT-UHFFFAOYSA-N 0 3 328.441 2.630 40 0 EFABHN Cc1n[nH]cc1CN[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000096403979 473380893 /nfs/dbraw/zinc/38/08/93/473380893.db2.gz QUGMFNYKKLINNF-AWEZNQCLSA-N 0 3 335.249 2.849 40 0 EFABHN COC(=O)c1ccc(NC2CCN([C@@H](C)c3ccccc3)CC2)nn1 ZINC000096407647 473386100 /nfs/dbraw/zinc/38/61/00/473386100.db2.gz NBFMFDHETWPZTN-AWEZNQCLSA-N 0 3 340.427 2.901 40 0 EFABHN O=C(OCCN1CCCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000000188746 471332463 /nfs/dbraw/zinc/33/24/63/471332463.db2.gz RZWPJFMNFATBEG-UHFFFAOYSA-N 0 3 339.435 2.952 40 0 in-man EFABHN CC(=O)c1ccc(OC[C@@H](O)CN2C(C)(C)CC(O)CC2(C)C)cc1 ZINC000001475540 471392432 /nfs/dbraw/zinc/39/24/32/471392432.db2.gz WPBBXJYMBHPLLZ-KRWDZBQOSA-N 0 3 349.471 2.643 40 0 aggregator EFABHN COc1ccc([C@@H]2CNCc3cc(OC)c(OC)cc32)cc1OC ZINC000003847191 471455387 /nfs/dbraw/zinc/45/53/87/471455387.db2.gz DXGTVOYDVCAEFZ-HNNXBMFYSA-N 0 3 329.396 2.956 40 0 EFABHN CCOCCOc1ccccc1[C@@H](Cc1ccccc1)NCCO ZINC000006403927 471544667 /nfs/dbraw/zinc/54/46/67/471544667.db2.gz SHTOTXRMVUPPEF-LJQANCHMSA-N 0 3 329.440 2.968 40 0 EFABHN Cc1cccc(C)c1NC(=O)CN(C)C(=O)CN1CCCCCCC1 ZINC000007582284 471622468 /nfs/dbraw/zinc/62/24/68/471622468.db2.gz VSSLYLMWWXNJLO-UHFFFAOYSA-N 0 3 345.487 2.966 40 0 EFABHN COc1ccccc1[C@]1(O)CCCN(C[C@@H](O)c2ccccc2)C1 ZINC000012292071 471770272 /nfs/dbraw/zinc/77/02/72/471770272.db2.gz DWRRNDHXFIIYEN-QUCCMNQESA-N 0 3 327.424 2.712 40 0 EFABHN COc1ccccc1[C@@]1(O)CCCN(C[C@@H](O)c2ccccc2)C1 ZINC000012292070 471771041 /nfs/dbraw/zinc/77/10/41/471771041.db2.gz DWRRNDHXFIIYEN-UYAOXDASSA-N 0 3 327.424 2.712 40 0 EFABHN O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(CC2CCCCC2)C1 ZINC000015674490 471914488 /nfs/dbraw/zinc/91/44/88/471914488.db2.gz QBPSLLOTANDTFZ-CVEARBPZSA-N 0 3 328.416 2.820 40 0 biogenic,in-vitro EFABHN Cc1cccc(OC[C@@H](O)CN(CCO)Cc2ccccc2)c1C ZINC000016779365 471949422 /nfs/dbraw/zinc/94/94/22/471949422.db2.gz GJJXZNMFSGVZOB-IBGZPJMESA-N 0 3 329.440 2.538 40 0 EFABHN Cc1cc(N2CCOCC2)cc([C@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC000019570094 471981022 /nfs/dbraw/zinc/98/10/22/471981022.db2.gz GOEXEKPBHJJQPJ-KRWDZBQOSA-N 0 3 343.471 2.733 40 0 EFABHN Cn1cc(CN2CCC[C@@H](c3ccc(-c4cnn(C)c4)cn3)C2)cn1 ZINC000019688573 471982707 /nfs/dbraw/zinc/98/27/07/471982707.db2.gz SOKJNMKGGXHZOF-QGZVFWFLSA-N 0 3 336.443 2.595 40 0 EFABHN Cc1nc2cc(C)ccn2c1CN1CC[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713234 471983924 /nfs/dbraw/zinc/98/39/24/471983924.db2.gz UDGCMHWCEMZJKE-JKSUJKDBSA-N 0 3 326.444 2.584 40 0 EFABHN CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CCNCC1 ZINC000040165633 472030364 /nfs/dbraw/zinc/03/03/64/472030364.db2.gz ZYBOXYQTWHFQSY-UHFFFAOYSA-N 0 3 333.819 2.783 40 0 EFABHN CN(Cc1ccc2c(c1)OCO2)C[C@H](O)COCc1ccccc1F ZINC000025368722 472093443 /nfs/dbraw/zinc/09/34/43/472093443.db2.gz HJGYNJXFGSIDCR-INIZCTEOSA-N 0 3 347.386 2.564 40 0 EFABHN CCOC(=O)[C@H]1CCCN(C[C@@H](O)COc2ccccc2C(C)C)C1 ZINC000028295290 472221428 /nfs/dbraw/zinc/22/14/28/472221428.db2.gz UUJWJBPJLSKMCI-DLBZAZTESA-N 0 3 349.471 2.825 40 0 EFABHN C[C@H]1CN(C)CCN1CC1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000085468208 472251306 /nfs/dbraw/zinc/25/13/06/472251306.db2.gz DMLDHVYMILRXSZ-HNNXBMFYSA-N 0 3 349.906 2.828 40 0 EFABHN C[C@H]1CN(C)CCN1CC1CCN(C(=O)CC2CCCCC2)CC1 ZINC000085468136 472252317 /nfs/dbraw/zinc/25/23/17/472252317.db2.gz GVZSAKIGLXLHSH-KRWDZBQOSA-N 0 3 335.536 2.831 40 0 EFABHN CN(C)c1cccc(C(=O)N2CCCSC[C@@H]2CN2CCCC2)c1 ZINC000085473201 472253725 /nfs/dbraw/zinc/25/37/25/472253725.db2.gz HGMGECGRIQHMBJ-SFHVURJKSA-N 0 3 347.528 2.796 40 0 EFABHN CN(CCN1CCC(C(=O)Nc2ccccn2)CC1)c1ccccc1 ZINC000085786991 472267055 /nfs/dbraw/zinc/26/70/55/472267055.db2.gz KFABAIDCZXQUSX-UHFFFAOYSA-N 0 3 338.455 2.869 40 0 EFABHN CCN1CCC(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000029608403 472285157 /nfs/dbraw/zinc/28/51/57/472285157.db2.gz BPUFMTGQUXRPRY-UHFFFAOYSA-N 0 3 338.455 2.575 40 0 EFABHN O=C(Nc1nc2ccccc2n1CCN1CCCCC1)[C@@H]1CCCO1 ZINC000032502461 472441876 /nfs/dbraw/zinc/44/18/76/472441876.db2.gz AFNUIVPQFXGZRD-KRWDZBQOSA-N 0 3 342.443 2.640 40 0 EFABHN Brc1cnc(N2CCC[C@H]2CN2CCCCC2)nc1 ZINC000097102094 472447602 /nfs/dbraw/zinc/44/76/02/472447602.db2.gz RCAJKOGSLSETGC-ZDUSSCGKSA-N 0 3 325.254 2.694 40 0 EFABHN C[C@@H](CN1CCCN(CC(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000097103880 472448895 /nfs/dbraw/zinc/44/88/95/472448895.db2.gz ACHHXTRQFJWOEW-HNNXBMFYSA-N 0 3 337.895 2.539 40 0 EFABHN COC1CCN(CCNCc2sccc2Br)CC1 ZINC000097378263 472494341 /nfs/dbraw/zinc/49/43/41/472494341.db2.gz KGUKAILCOHLKNY-UHFFFAOYSA-N 0 3 333.295 2.711 40 0 EFABHN C[C@H](NCCN1CCN(c2cccc(Cl)c2)CC1)c1cnccn1 ZINC000090468764 472624007 /nfs/dbraw/zinc/62/40/07/472624007.db2.gz GQKFXJNHHNUBBI-HNNXBMFYSA-N 0 3 345.878 2.603 40 0 EFABHN CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@@H]2CCCCN2)CC1 ZINC000072216474 472634776 /nfs/dbraw/zinc/63/47/76/472634776.db2.gz JETVYJRZYKTTOY-INIZCTEOSA-N 0 3 346.475 2.953 40 0 EFABHN COc1ccc(CCC(=O)N2CCCSC[C@@H]2CN(C)C)cc1 ZINC000090700043 472653345 /nfs/dbraw/zinc/65/33/45/472653345.db2.gz DSMYPDOQSYNKIC-INIZCTEOSA-N 0 3 336.501 2.524 40 0 EFABHN Cn1cc(NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)cn1 ZINC000156217679 472678479 /nfs/dbraw/zinc/67/84/79/472678479.db2.gz NALKGIBYIXBWKL-GOSISDBHSA-N 0 3 327.432 2.596 40 0 EFABHN c1ccc2c(c1)CCCC[C@H]2NCc1cnc(N2CCOCC2)nc1 ZINC000078394278 472710388 /nfs/dbraw/zinc/71/03/88/472710388.db2.gz ZCYOIRDTNVAWDO-LJQANCHMSA-N 0 3 338.455 2.871 40 0 EFABHN C[C@@H](CN1CCCCC1)NC(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000120770462 472743767 /nfs/dbraw/zinc/74/37/67/472743767.db2.gz OCEBEGWGCMYOCL-LBPRGKRZSA-N 0 3 348.422 2.706 40 0 EFABHN C[C@H](CN1CCCCC1)NC(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000120770641 472744224 /nfs/dbraw/zinc/74/42/24/472744224.db2.gz OCEBEGWGCMYOCL-GFCCVEGCSA-N 0 3 348.422 2.706 40 0 EFABHN COc1ccccc1[C@@H](C)S(=O)(=O)C(C)C(=O)N1CCCCC1 ZINC000078822467 472776104 /nfs/dbraw/zinc/77/61/04/472776104.db2.gz JZCWYOAQOGFFOA-KGLIPLIRSA-N 0 3 339.457 2.572 40 0 EFABHN O[C@@H](CN1CCC[C@H](c2nncn2C2CC2)C1)c1ccc(F)cc1 ZINC000091630549 472787416 /nfs/dbraw/zinc/78/74/16/472787416.db2.gz YPNQCGZQYMBYRB-YOEHRIQHSA-N 0 3 330.407 2.665 40 0 EFABHN CC(=O)NC1CCC(N[C@@H](CO)c2ccc(Cl)c(F)c2)CC1 ZINC000133346472 472793996 /nfs/dbraw/zinc/79/39/96/472793996.db2.gz FNGWTHULAVIKIM-ZUEPYMLJSA-N 0 3 328.815 2.549 40 0 EFABHN CC[C@@H](NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)C(N)=O ZINC000079029803 472808912 /nfs/dbraw/zinc/80/89/12/472808912.db2.gz NPHGUWLWSFUGKS-CQSZACIVSA-N 0 3 344.377 2.607 40 0 EFABHN Cc1ccc([C@H](CNC(=O)CSc2ccncc2)N(C)C)cc1 ZINC000079122092 472823049 /nfs/dbraw/zinc/82/30/49/472823049.db2.gz PMCPLJMRQQLSCE-KRWDZBQOSA-N 0 3 329.469 2.901 40 0 EFABHN CCOC(=O)c1ccc(NC(=O)NCCN2CCC(C)CC2)cc1 ZINC000048331632 472858596 /nfs/dbraw/zinc/85/85/96/472858596.db2.gz NBDGSXYYRKZGOV-UHFFFAOYSA-N 0 3 333.432 2.717 40 0 EFABHN O=C(CN(Cc1cccc(F)c1)C1CC1)NC1CCN(C2CC2)CC1 ZINC000064508784 472860311 /nfs/dbraw/zinc/86/03/11/472860311.db2.gz VYJQTKNMWZWNOH-UHFFFAOYSA-N 0 3 345.462 2.533 40 0 EFABHN O=C(CN(Cc1ccco1)C1CCCC1)NC1CCN(C2CC2)CC1 ZINC000064508672 472860545 /nfs/dbraw/zinc/86/05/45/472860545.db2.gz ZVOJHVVKMKTMAT-UHFFFAOYSA-N 0 3 345.487 2.767 40 0 EFABHN CCc1noc(C)c1C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000073826240 472884985 /nfs/dbraw/zinc/88/49/85/472884985.db2.gz DVDNDKLYLUGAIN-UHFFFAOYSA-N 0 3 331.416 2.875 40 0 EFABHN CC(=O)Nc1cccc([C@@H](C)N[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000121714866 472897697 /nfs/dbraw/zinc/89/76/97/472897697.db2.gz MRDYSRGTRDKAFA-ABAIWWIYSA-N 0 3 329.366 2.932 40 0 EFABHN Cc1ccc(CN2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)o1 ZINC000107730861 472978577 /nfs/dbraw/zinc/97/85/77/472978577.db2.gz IVEJELFOAQESEA-QAPCUYQASA-N 0 3 328.416 2.614 40 0 EFABHN CN1CCN(Cc2cccc(NCc3cn4ccccc4n3)c2)CC1 ZINC000080196277 472995044 /nfs/dbraw/zinc/99/50/44/472995044.db2.gz ZJYJUDIDPNSNRJ-UHFFFAOYSA-N 0 3 335.455 2.694 40 0 EFABHN COCCNC(=O)[C@H]1CCC[C@@]12CCN(Cc1ccccc1F)C2 ZINC000108528754 473035534 /nfs/dbraw/zinc/03/55/34/473035534.db2.gz HCMCOVBFOGMSKY-APWZRJJASA-N 0 3 334.435 2.581 40 0 EFABHN Cc1cccnc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 ZINC000108526618 473035806 /nfs/dbraw/zinc/03/58/06/473035806.db2.gz YKCLXSDABQWLJA-YLJYHZDGSA-N 0 3 343.471 2.936 40 0 EFABHN COc1cccc(CN2CCC3(CC(Nc4ncccn4)C3)CC2)n1 ZINC000108532012 473035866 /nfs/dbraw/zinc/03/58/66/473035866.db2.gz VEJPSUXUCKJXSH-UHFFFAOYSA-N 0 3 339.443 2.737 40 0 EFABHN COCCN1CC[C@@]2(CCCN(Cc3cc(F)ccc3C)CC2)C1=O ZINC000108526372 473036310 /nfs/dbraw/zinc/03/63/10/473036310.db2.gz WZOJPPACCGVSIT-FQEVSTJZSA-N 0 3 348.462 2.985 40 0 EFABHN COCCN1CCCC2(CCN(Cc3cc(F)ccc3C)CC2)C1=O ZINC000108531814 473036480 /nfs/dbraw/zinc/03/64/80/473036480.db2.gz GXOPALQUVHLZGS-UHFFFAOYSA-N 0 3 348.462 2.985 40 0 EFABHN CN(C)C(=O)N[C@H]1CCOC2(CCN(Cc3ccccc3F)CC2)C1 ZINC000108532770 473037362 /nfs/dbraw/zinc/03/73/62/473037362.db2.gz NMTLJINGYAINJD-INIZCTEOSA-N 0 3 349.450 2.611 40 0 EFABHN CN(C)[C@H]1CCCN(C(=O)NCc2c(F)cccc2OC(F)F)C1 ZINC000074944762 473102639 /nfs/dbraw/zinc/10/26/39/473102639.db2.gz SHJNFZOJCJWTHF-NSHDSACASA-N 0 3 345.365 2.663 40 0 EFABHN O=C(N[C@H]1C[C@@H]1C1CCCCC1)N1CCCN(C2CCOCC2)CC1 ZINC000095405365 473198475 /nfs/dbraw/zinc/19/84/75/473198475.db2.gz DYDQLEBLACJIKA-MOPGFXCFSA-N 0 3 349.519 2.852 40 0 EFABHN Cc1cc(NC(=O)[C@H]2CCCO2)cc(N2CCN(C(C)C)CC2)c1 ZINC000190796285 473396279 /nfs/dbraw/zinc/39/62/79/473396279.db2.gz DQKAHXKZNJWZSF-GOSISDBHSA-N 0 3 331.460 2.643 40 0 EFABHN C[C@@H]1CCN(C(=O)CC2CCOCC2)CCN1Cc1ccccc1 ZINC000096433126 473411924 /nfs/dbraw/zinc/41/19/24/473411924.db2.gz RNBTYKOFADXXDY-QGZVFWFLSA-N 0 3 330.472 2.926 40 0 EFABHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1cn[nH]c1 ZINC000096435673 473415416 /nfs/dbraw/zinc/41/54/16/473415416.db2.gz XJMXNSGBNDSLKH-MRXNPFEDSA-N 0 3 327.432 2.786 40 0 EFABHN CCN1CCN(CCC(=O)NC2CC(c3cccc(Cl)c3)C2)CC1 ZINC000096440926 473419367 /nfs/dbraw/zinc/41/93/67/473419367.db2.gz TUYDCYPUKGBINR-UHFFFAOYSA-N 0 3 349.906 2.730 40 0 EFABHN CC[C@@](C)(CC(=O)OC)NCC(=O)Nc1sc(C)c(C)c1C ZINC000096461844 473433165 /nfs/dbraw/zinc/43/31/65/473433165.db2.gz CVRBCIPGIPFITP-INIZCTEOSA-N 0 3 326.462 2.933 40 0 EFABHN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[C@]2(CCOC2)C1 ZINC000096461937 473434317 /nfs/dbraw/zinc/43/43/17/473434317.db2.gz DAXGSWATMUXOHS-KDOFPFPSSA-N 0 3 336.863 2.972 40 0 EFABHN C[C@@H](NC[C@@H](c1ccccc1)N1CCOCC1)c1cncc(F)c1 ZINC000096476457 473439355 /nfs/dbraw/zinc/43/93/55/473439355.db2.gz DHOJUGKNSLRKBS-BEFAXECRSA-N 0 3 329.419 2.945 40 0 EFABHN C[C@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)C[C@H](c2ccc(F)cc2)O1 ZINC000096481288 473440471 /nfs/dbraw/zinc/44/04/71/473440471.db2.gz CQPUWCKSAKXXDN-ZOCIIQOWSA-N 0 3 342.414 2.684 40 0 EFABHN Cc1cnn(CCN[C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1 ZINC000190966849 473442852 /nfs/dbraw/zinc/44/28/52/473442852.db2.gz FSVDXHOSFJRKBC-QGZVFWFLSA-N 0 3 326.444 2.512 40 0 EFABHN O=C([C@H]1CCCN(Cc2coc3ccccc23)C1)N1CCOCC1 ZINC000096489561 473446624 /nfs/dbraw/zinc/44/66/24/473446624.db2.gz DFIFRVXFIOXWPL-HNNXBMFYSA-N 0 3 328.412 2.504 40 0 EFABHN CN(C)Cc1ccc(C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1 ZINC000096493020 473449780 /nfs/dbraw/zinc/44/97/80/473449780.db2.gz DLJWKIZEFOKXEL-QGZVFWFLSA-N 0 3 332.444 2.554 40 0 EFABHN CC[C@@H](C)Oc1cc(C(=O)N2CCN(c3ccncc3)CC2)ccn1 ZINC000096494935 473451136 /nfs/dbraw/zinc/45/11/36/473451136.db2.gz WGQRNJPOFDYDKK-OAHLLOKOSA-N 0 3 340.427 2.616 40 0 EFABHN CN1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2CCOc3ccccc32)C1 ZINC000096499770 473451446 /nfs/dbraw/zinc/45/14/46/473451446.db2.gz KJZIICMAGKMOKZ-LZLYRXPVSA-N 0 3 343.471 2.678 40 0 EFABHN O=C(C[C@@H]1CNCCO1)Nc1cccc(COc2cccc(F)c2)c1 ZINC000152022002 473517696 /nfs/dbraw/zinc/51/76/96/473517696.db2.gz GRQPFWOGASVROY-GOSISDBHSA-N 0 3 344.386 2.722 40 0 EFABHN Cn1ccnc1CC1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000192007040 473604113 /nfs/dbraw/zinc/60/41/13/473604113.db2.gz GOQWGOBXIURQQO-GOSISDBHSA-N 0 3 338.455 2.628 40 0 EFABHN C[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1)[C@H](c1ccccc1)N(C)C ZINC000186496185 473682009 /nfs/dbraw/zinc/68/20/09/473682009.db2.gz SSOXHVQFKSTVGN-DNVCBOLYSA-N 0 3 349.438 2.689 40 0 EFABHN CC(=O)c1ccc(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)nc1 ZINC000180434217 473877057 /nfs/dbraw/zinc/87/70/57/473877057.db2.gz OMWJUWFBPIJLDC-HUUCEWRRSA-N 0 3 331.460 2.610 40 0 EFABHN Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000173625071 473894996 /nfs/dbraw/zinc/89/49/96/473894996.db2.gz IPKYHCIPVATDDV-UHFFFAOYSA-N 0 3 335.879 2.639 40 0 EFABHN Cc1cc(N2CC[C@@H](NC[C@@H](C)c3cccc(Cl)c3)C2=O)n(C)n1 ZINC000188061036 473968484 /nfs/dbraw/zinc/96/84/84/473968484.db2.gz ODWZEEZHKXXFOL-MLGOLLRUSA-N 0 3 346.862 2.881 40 0 EFABHN CNc1cc(N2CCC[C@H]2CN[C@H](C)c2cccc(O)c2)ncn1 ZINC000194921540 473975253 /nfs/dbraw/zinc/97/52/53/473975253.db2.gz VVFGZQLJTZRXHY-HIFRSBDPSA-N 0 3 327.432 2.544 40 0 EFABHN CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2cccc(O)c2)ncn1 ZINC000194921564 473976235 /nfs/dbraw/zinc/97/62/35/473976235.db2.gz VVFGZQLJTZRXHY-UKRRQHHQSA-N 0 3 327.432 2.544 40 0 EFABHN COc1ccc(C2(CNC(=O)N3CC[C@H]4CC[C@@H](C3)N4C)CC2)cc1 ZINC000195539953 474091380 /nfs/dbraw/zinc/09/13/80/474091380.db2.gz CFXVUTXQYGJIPI-SJORKVTESA-N 0 3 343.471 2.605 40 0 EFABHN C[C@@H](C(=O)N1CCC(OC2CCOCC2)CC1)[C@@H](N)c1ccccc1 ZINC000195543431 474092203 /nfs/dbraw/zinc/09/22/03/474092203.db2.gz WFXVYEMKVRTUTF-DNVCBOLYSA-N 0 3 346.471 2.509 40 0 EFABHN COc1ccc(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1C ZINC000195554505 474094930 /nfs/dbraw/zinc/09/49/30/474094930.db2.gz JSPOWVULJIRHAV-SJORKVTESA-N 0 3 331.460 2.629 40 0 EFABHN CCCN1CCC[C@@H]1c1nc(-c2cnn3c2nc(C)cc3C)no1 ZINC000195569955 474097465 /nfs/dbraw/zinc/09/74/65/474097465.db2.gz AGNBXKGMVCNJNB-CQSZACIVSA-N 0 3 326.404 2.943 40 0 EFABHN COC[C@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218443867 474144672 /nfs/dbraw/zinc/14/46/72/474144672.db2.gz CMCXQBLTVDMMBV-CEXWTWQISA-N 0 3 345.464 2.526 40 0 EFABHN COc1ccc(F)c(C(=O)N[C@H](C)CN2CCCCCC2)c1OC ZINC000188674061 474161139 /nfs/dbraw/zinc/16/11/39/474161139.db2.gz WJPXRAJQDUJYMV-CYBMUJFWSA-N 0 3 338.423 2.837 40 0 EFABHN C1=C[C@@H]2C[C@H]1C[C@@H]2CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000222202933 474166658 /nfs/dbraw/zinc/16/66/58/474166658.db2.gz JBVCATTYCGLWHJ-CGTJXYLNSA-N 0 3 326.440 2.745 40 0 EFABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccs1 ZINC000223252619 474182603 /nfs/dbraw/zinc/18/26/03/474182603.db2.gz QJDOVPACXUQICN-GJZGRUSLSA-N 0 3 332.498 2.677 40 0 EFABHN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)s1 ZINC000223253142 474182672 /nfs/dbraw/zinc/18/26/72/474182672.db2.gz QFTWNQWPNFVBNJ-HZPDHXFCSA-N 0 3 346.525 2.986 40 0 EFABHN CCCOc1cccc(NC(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000282802051 474200280 /nfs/dbraw/zinc/20/02/80/474200280.db2.gz SWYYDSFFVNPHFY-UHFFFAOYSA-N 0 3 348.491 2.623 40 0 EFABHN S=C(NCc1ccco1)NC1CCN(Cc2cccs2)CC1 ZINC000225231190 474205271 /nfs/dbraw/zinc/20/52/71/474205271.db2.gz LCEAEGHJOBNXQF-UHFFFAOYSA-N 0 3 335.498 2.970 40 0 EFABHN COCCO[C@@H]1CCN(Cc2ccsc2)[C@H]1Cc1ccncc1 ZINC000247826292 474214191 /nfs/dbraw/zinc/21/41/91/474214191.db2.gz FZFZHVFIHFJOAS-ZWKOTPCHSA-N 0 3 332.469 2.992 40 0 EFABHN CNCC(=O)N[C@H](c1ccccc1Cl)c1ccc(OC)cc1OC ZINC000225473381 474215257 /nfs/dbraw/zinc/21/52/57/474215257.db2.gz WTSOBKWCZQVITQ-GOSISDBHSA-N 0 3 348.830 2.782 40 0 EFABHN N[C@@H](CC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000225476456 474217080 /nfs/dbraw/zinc/21/70/80/474217080.db2.gz XOUZHTTVFNLXDP-ZWKOTPCHSA-N 0 3 328.387 2.816 40 0 EFABHN O=C(CC1=CCCCC1)N1Cc2ccnn2[C@@H](CN2CCCC2)C1 ZINC000247856516 474217206 /nfs/dbraw/zinc/21/72/06/474217206.db2.gz KVYUEWZVIDONSO-SFHVURJKSA-N 0 3 328.460 2.753 40 0 EFABHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2nc(C)cnc2C)C1 ZINC000225603452 474229566 /nfs/dbraw/zinc/22/95/66/474229566.db2.gz SRISPMLQGMOWBZ-HNNXBMFYSA-N 0 3 331.489 2.817 40 0 EFABHN C[C@@H](Cc1ccc(Br)cc1)NC[C@H]1CCCS1(=O)=O ZINC000225631458 474230332 /nfs/dbraw/zinc/23/03/32/474230332.db2.gz WSPXGECMPKPNEP-SMDDNHRTSA-N 0 3 346.290 2.547 40 0 EFABHN CO[C@@](C)(C(=O)Nc1ccc(OCCN2CCCC2)cc1)C1CC1 ZINC000225643522 474231907 /nfs/dbraw/zinc/23/19/07/474231907.db2.gz AAORZBBITHLXRW-LJQANCHMSA-N 0 3 332.444 2.915 40 0 EFABHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1C[C@@H]2CCC[C@H]2C1 ZINC000248711252 474410515 /nfs/dbraw/zinc/41/05/15/474410515.db2.gz COWPMABXBYXKIK-FHWLQOOXSA-N 0 3 327.472 2.950 40 0 EFABHN C[C@]1(CNC(=O)N[C@H]2CC[C@H](O)CC2)CCCN1Cc1ccccc1 ZINC000249289767 474552435 /nfs/dbraw/zinc/55/24/35/474552435.db2.gz VFGWUMDRYMDIQI-QWFCFKBJSA-N 0 3 345.487 2.644 40 0 EFABHN CNCC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000241124333 474553565 /nfs/dbraw/zinc/55/35/65/474553565.db2.gz JHJWXMBQERJCCG-CQSZACIVSA-N 0 3 325.412 2.678 40 0 EFABHN Cn1nccc1CN[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000241316783 474554703 /nfs/dbraw/zinc/55/47/03/474554703.db2.gz LUWOZZGAHDBNHZ-GFCCVEGCSA-N 0 3 340.349 2.687 40 0 EFABHN COc1ccc(CCNC(=S)NC[C@@H](C)N2CCCC[C@H]2C)cc1 ZINC000245224823 474571767 /nfs/dbraw/zinc/57/17/67/474571767.db2.gz FWSQFPQSUBOLNV-HZPDHXFCSA-N 0 3 349.544 2.965 40 0 EFABHN C[C@@H](NC(=O)c1ccc(OC2CCOCC2)cc1)C1=CCN(C)CC1 ZINC000272996424 474661253 /nfs/dbraw/zinc/66/12/53/474661253.db2.gz QRYKBHSRFDPKCB-OAHLLOKOSA-N 0 3 344.455 2.625 40 0 EFABHN O=C(NCc1ccc(OCCN2CCCC2)cc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000252486603 474672638 /nfs/dbraw/zinc/67/26/38/474672638.db2.gz MHWBMHSPRZHPSB-BWTSREIZSA-N 0 3 328.456 2.824 40 0 EFABHN C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ccc(CCO)cc1 ZINC000252584917 474697791 /nfs/dbraw/zinc/69/77/91/474697791.db2.gz DTYQXVLCKIQUCK-OXJNMPFZSA-N 0 3 325.456 2.939 40 0 EFABHN COc1ccccc1N1CCC[C@H](N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1=O ZINC000253370601 474728035 /nfs/dbraw/zinc/72/80/35/474728035.db2.gz SZJBLFAIOLAPSK-NONVJHHQSA-N 0 3 344.455 2.594 40 0 EFABHN Cc1n[nH]cc1CN[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000253418723 474744072 /nfs/dbraw/zinc/74/40/72/474744072.db2.gz NFPXDKKIGMYRHH-CYBMUJFWSA-N 0 3 340.349 2.985 40 0 EFABHN CN1CCCN(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)CC1 ZINC000253419239 474747963 /nfs/dbraw/zinc/74/79/63/474747963.db2.gz KXZXPGCOJUPTGT-HNNXBMFYSA-N 0 3 343.393 2.897 40 0 EFABHN c1cc2n(n1)C[C@@H](OCC1CCCC1)CN(CC1CCOCC1)C2 ZINC000253478345 474761279 /nfs/dbraw/zinc/76/12/79/474761279.db2.gz KMNYWFOVSMRGAP-IBGZPJMESA-N 0 3 333.476 2.701 40 0 EFABHN C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)C[C@@H](COCC1CC1)CCN2CC1CC1 ZINC000306128518 474807488 /nfs/dbraw/zinc/80/74/88/474807488.db2.gz HCWSWOIDALXQKT-MNEFBYGVSA-N 0 3 346.515 2.772 40 0 EFABHN Cc1ccc(CN2CC[C@@H](F)[C@@]3(CCN(Cc4cnn(C)c4)C3)C2)o1 ZINC000306135412 474809964 /nfs/dbraw/zinc/80/99/64/474809964.db2.gz OQAPZIMNYAKCNM-MOPGFXCFSA-N 0 3 346.450 2.758 40 0 EFABHN Cc1nc(CN2C(=O)c3cccn3[C@@H]3CN(CC4CC4)C[C@H]32)cs1 ZINC000306132908 474810123 /nfs/dbraw/zinc/81/01/23/474810123.db2.gz LVWYOHUSXZWGLP-IAGOWNOFSA-N 0 3 342.468 2.544 40 0 EFABHN Cc1cccc(CN2CC[C@]3(CCC[C@H]3C(=O)N3CC(F)(F)C3)C2)n1 ZINC000306137197 474810299 /nfs/dbraw/zinc/81/02/99/474810299.db2.gz QOLSYEQQKSEEJX-FUHWJXTLSA-N 0 3 349.425 2.860 40 0 EFABHN Cc1ccc(C)c(CN2C[C@H]3OC[C@@H](CNC(=O)CC4CC4)[C@H]3C2)c1 ZINC000306135114 474810551 /nfs/dbraw/zinc/81/05/51/474810551.db2.gz OIGIICYRKHRWGT-VAMGGRTRSA-N 0 3 342.483 2.667 40 0 EFABHN CCCN1CCC[C@H](c2ccnc3c(C(=O)NCC(C)C)cnn32)C1 ZINC000306132585 474810724 /nfs/dbraw/zinc/81/07/24/474810724.db2.gz LMYPFOFTKAHFPP-HNNXBMFYSA-N 0 3 343.475 2.705 40 0 EFABHN FC(F)(F)c1cccc(OCCc2cc([C@H]3CNCCO3)n[nH]2)c1 ZINC000257283080 474930254 /nfs/dbraw/zinc/93/02/54/474930254.db2.gz OWRZAEPCQLUVCE-OAHLLOKOSA-N 0 3 341.333 2.711 40 0 EFABHN CN1CCC(Cc2cccc(F)c2)(C(=O)NC[C@@]2(C)CCCO2)CC1 ZINC000257290136 474935204 /nfs/dbraw/zinc/93/52/04/474935204.db2.gz QBSOOTUDJJOEBI-LJQANCHMSA-N 0 3 348.462 2.766 40 0 EFABHN Cc1ccc(CC(=O)NCc2nccnc2C2CCN(C)CC2)s1 ZINC000257288243 474935312 /nfs/dbraw/zinc/93/53/12/474935312.db2.gz PTMDPDCBPVMHMX-UHFFFAOYSA-N 0 3 344.484 2.515 40 0 EFABHN Cc1cncc(CN2CCC[C@H]2c2nc(C)ncc2CN(C)C)c1 ZINC000257297161 474938787 /nfs/dbraw/zinc/93/87/87/474938787.db2.gz RGDMEFAHZUCSPY-SFHVURJKSA-N 0 3 325.460 2.887 40 0 EFABHN FC(F)(F)c1ccc(OCCc2cc([C@H]3CNCCO3)n[nH]2)cc1 ZINC000257300138 474941563 /nfs/dbraw/zinc/94/15/63/474941563.db2.gz RTAXIDKCUHQRML-OAHLLOKOSA-N 0 3 341.333 2.711 40 0 EFABHN CNC(=O)c1sc2nc([C@@H]3CCCN3CC3CC3)ccc2c1N ZINC000257306065 474942160 /nfs/dbraw/zinc/94/21/60/474942160.db2.gz SSTOLYULGADIAH-ZDUSSCGKSA-N 0 3 330.457 2.785 40 0 EFABHN CCc1cc(C(=O)N2CC[C@@H](c3cc(N(C)C)cc(C)n3)C2)no1 ZINC000257313448 474946739 /nfs/dbraw/zinc/94/67/39/474946739.db2.gz USMPVABJEYRDOL-CYBMUJFWSA-N 0 3 328.416 2.636 40 0 EFABHN Cn1cc(CN2CCC(c3ccnc(Nc4ncccn4)c3)CC2)cn1 ZINC000257317412 474951317 /nfs/dbraw/zinc/95/13/17/474951317.db2.gz VJQMTOUOBYSCAK-UHFFFAOYSA-N 0 3 349.442 2.728 40 0 EFABHN Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000257326800 474954686 /nfs/dbraw/zinc/95/46/86/474954686.db2.gz WYPVDPOTVJYVCE-MRXNPFEDSA-N 0 3 334.427 2.950 40 0 EFABHN NC(=O)c1cc(C[C@H]2CCCN(Cc3ccccc3F)CC2)ncn1 ZINC000257324132 474954875 /nfs/dbraw/zinc/95/48/75/474954875.db2.gz WNHNVONYVNMAQN-AWEZNQCLSA-N 0 3 342.418 2.559 40 0 EFABHN COCCN1C(=O)CCC[C@H]2CN(Cc3ccc(OC)cc3)CC[C@H]21 ZINC000257334742 474959993 /nfs/dbraw/zinc/95/99/93/474959993.db2.gz YHEVYRXCIVNMOE-PKOBYXMFSA-N 0 3 346.471 2.545 40 0 EFABHN c1cc(CN2CCN(C3CCCCC3)CC2)nc([C@H]2CCCOC2)n1 ZINC000257340356 474963530 /nfs/dbraw/zinc/96/35/30/474963530.db2.gz ZFQKAJIKJWDTGN-KRWDZBQOSA-N 0 3 344.503 2.821 40 0 EFABHN Cc1cncc(CN2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)c1 ZINC000257338055 474963673 /nfs/dbraw/zinc/96/36/73/474963673.db2.gz YVPDIZXOEBMNEK-KRWDZBQOSA-N 0 3 334.427 2.745 40 0 EFABHN Cc1cc(N(C)C2CC3(C2)CCN(Cc2cncs2)C3)ncn1 ZINC000257343435 474965532 /nfs/dbraw/zinc/96/55/32/474965532.db2.gz ZTAXLVJNAAPKRH-UHFFFAOYSA-N 0 3 329.473 2.732 40 0 EFABHN CSc1ccccc1CN(C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000280388574 475021281 /nfs/dbraw/zinc/02/12/81/475021281.db2.gz KGJIQXYJRVQNFF-CQSZACIVSA-N 0 3 342.530 2.512 40 0 EFABHN CC[NH+](CC)CC[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2cncn21 ZINC000585096293 479280324 /nfs/dbraw/zinc/28/03/24/479280324.db2.gz GCMUSEHEKWKADS-MRXNPFEDSA-N 0 3 342.443 2.518 40 0 EFABHN CC(C)CN1CC[C@]12CCCN(C(=O)c1nnsc1C1CC1)C2 ZINC000585102387 479284164 /nfs/dbraw/zinc/28/41/64/479284164.db2.gz YWQAUYQAPTWUPF-KRWDZBQOSA-N 0 3 334.489 2.752 40 0 EFABHN CC(C)CN1C[C@]2(CC1=O)COCCN([C@H](C)c1ccccc1)C2 ZINC000585103731 479284378 /nfs/dbraw/zinc/28/43/78/479284378.db2.gz FNYXVIYOFPNUEI-YLJYHZDGSA-N 0 3 330.472 2.955 40 0 EFABHN CN(Cc1cccnc1)C[C@@H]1CCC2(CN(Cc3ccoc3)C2)OC1 ZINC000585103460 479285047 /nfs/dbraw/zinc/28/50/47/479285047.db2.gz BHVYMCAUAVFSBY-SFHVURJKSA-N 0 3 341.455 2.788 40 0 EFABHN CN1CC[C@@H](COCc2ccncc2)CC12CN(Cc1ccco1)C2 ZINC000585102763 479285137 /nfs/dbraw/zinc/28/51/37/479285137.db2.gz GVFHGMLCKBXKIA-GOSISDBHSA-N 0 3 341.455 2.788 40 0 EFABHN CC(C)Oc1ccccc1CN1C[C@@H](C(=O)N(C)C)C[C@H]2OCC[C@H]21 ZINC000585108730 479286959 /nfs/dbraw/zinc/28/69/59/479286959.db2.gz NEIRJJMEWJNDLN-YQVWRLOYSA-N 0 3 346.471 2.541 40 0 EFABHN Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CN2CCC(C)C)C1 ZINC000585107915 479287820 /nfs/dbraw/zinc/28/78/20/479287820.db2.gz FOHHLIJOUQITCQ-DLBZAZTESA-N 0 3 336.501 2.736 40 0 EFABHN COCc1cnc(NC(=O)[C@@H]2CCN(C)[C@@H]2c2ccccc2)s1 ZINC000585140267 479297062 /nfs/dbraw/zinc/29/70/62/479297062.db2.gz BFJGTXAGQLBQLN-HUUCEWRRSA-N 0 3 331.441 2.921 40 0 EFABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2cccc3[nH]ccc32)c1 ZINC000585182490 479304118 /nfs/dbraw/zinc/30/41/18/479304118.db2.gz XNUZVUTYXLTQCY-HXUWFJFHSA-N 0 3 348.450 2.674 40 0 EFABHN COc1ccccc1CN1CCC[C@H](OC)[C@@H]1CCC(=O)N(C)C ZINC000585279386 479306911 /nfs/dbraw/zinc/30/69/11/479306911.db2.gz YRXNNGINEJVNPC-WMZOPIPTSA-N 0 3 334.460 2.543 40 0 EFABHN O[C@@]1(COc2cc(F)cc(F)c2)COCCN(C2CCCCC2)C1 ZINC000585281864 479308635 /nfs/dbraw/zinc/30/86/35/479308635.db2.gz CZFSZWQBBBMFKU-GOSISDBHSA-N 0 3 341.398 2.740 40 0 EFABHN CO[C@H]1CCN(C(=O)/C=C/CN(C)C)C[C@H]1Cc1ccc(C)cc1 ZINC000585289983 479310489 /nfs/dbraw/zinc/31/04/89/479310489.db2.gz PHTCABKMVQXJKO-YSKLNCTFSA-N 0 3 330.472 2.519 40 0 EFABHN CCOc1ccc(NC(=O)NCC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000575607647 479451666 /nfs/dbraw/zinc/45/16/66/479451666.db2.gz OKACJFIAXRGXIT-KRWDZBQOSA-N 0 3 347.459 2.708 40 0 EFABHN O=C(NC1CCCCC1)N1CCCN(C2CCSCC2)CC1 ZINC000575609011 479452754 /nfs/dbraw/zinc/45/27/54/479452754.db2.gz XJFIUNXJNRLDSC-UHFFFAOYSA-N 0 3 325.522 2.932 40 0 EFABHN COc1cccc2c1CC[C@H]2NC(=O)N(C)CC1(N(C)C)CCC1 ZINC000187305655 533871880 /nfs/dbraw/zinc/87/18/80/533871880.db2.gz XUHPRDGQYLFKKD-MRXNPFEDSA-N 0 3 331.460 2.808 40 0 EFABHN COC(=O)N1CCC([C@H](C)NCc2ccc(Br)o2)CC1 ZINC000191617094 533955255 /nfs/dbraw/zinc/95/52/55/533955255.db2.gz JWFRDXOCRJKUDI-JTQLQIEISA-N 0 3 345.237 2.999 40 0 EFABHN CCOc1ccc(Br)cc1CN(C(=O)[C@@H](C)N)C1CC1 ZINC000158748113 528376052 /nfs/dbraw/zinc/37/60/52/528376052.db2.gz WLHOFXMLLCYFMC-SNVBAGLBSA-N 0 3 341.249 2.686 40 0 EFABHN CC[C@](C)(COc1ncccc1Cl)NC(=O)C1CCN(C)CC1 ZINC000154406185 529365526 /nfs/dbraw/zinc/36/55/26/529365526.db2.gz JEYHNORMWGHHNV-QGZVFWFLSA-N 0 3 339.867 2.741 40 0 EFABHN CCC(C)(C)N1CCN(C(=O)N[C@@H](C)CC2CCOCC2)CC1 ZINC000585091037 546371388 /nfs/dbraw/zinc/37/13/88/546371388.db2.gz NHMCDJGCMLXHMS-HNNXBMFYSA-N 0 3 325.497 2.707 40 0 EFABHN COc1cc(C)c(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c(C)n1 ZINC000679770322 549196721 /nfs/dbraw/zinc/19/67/21/549196721.db2.gz NMEGMVZNDKPXNP-OAHLLOKOSA-N 0 3 341.459 2.624 40 0 EFABHN O=S(=O)(NC[C@@H]1CCCN(Cc2ccccc2C2CC2)C1)C1CC1 ZINC000585084661 564133918 /nfs/dbraw/zinc/13/39/18/564133918.db2.gz JDHCMIRYIXKAPH-HNNXBMFYSA-N 0 3 348.512 2.858 40 0 EFABHN O=C(N[C@@H]1CN(Cc2cccs2)C[C@@H]2CCCO[C@H]12)C1CCC1 ZINC000097953470 219064082 /nfs/dbraw/zinc/06/40/82/219064082.db2.gz BEKKCZOYJUTPHF-UAGQMJEPSA-N 0 3 334.485 2.644 40 0 EFABHN FC(F)(F)c1ccc(N2CCC(NCc3cc[nH]n3)CC2)nc1 ZINC000066973009 215100178 /nfs/dbraw/zinc/10/01/78/215100178.db2.gz XSYWRRLJPRGBQE-UHFFFAOYSA-N 0 3 325.338 2.582 40 0 EFABHN COCc1ccc(CN[C@H]2C[C@@H](Cc3cc(CCO)on3)C2(C)C)o1 ZINC000067889700 215242364 /nfs/dbraw/zinc/24/23/64/215242364.db2.gz ABTGLGWGEWIMRF-ACJLOTCBSA-N 0 3 348.443 2.696 40 0 biogenic,in-vitro EFABHN Cn1cccc1C(=O)N(Cc1ccccc1F)C1CCN(C)CC1 ZINC000068113690 215279983 /nfs/dbraw/zinc/27/99/83/215279983.db2.gz OSVFPVIRZUSUAT-UHFFFAOYSA-N 0 3 329.419 2.901 40 0 EFABHN CN(C)[C@@H](CNc1cncc(-n2cccn2)n1)c1cccc(F)c1 ZINC000068659156 215323931 /nfs/dbraw/zinc/32/39/31/215323931.db2.gz HMXZEIPTIKFHNK-HNNXBMFYSA-N 0 3 326.379 2.516 40 0 EFABHN CN(C)Cc1ccc(CNC(=O)c2cc(Br)c[nH]2)cc1 ZINC000040464893 213309544 /nfs/dbraw/zinc/30/95/44/213309544.db2.gz PMUMUYRGCLZUSL-UHFFFAOYSA-N 0 3 336.233 2.769 40 0 EFABHN CC(C)CCCNCc1cc(Br)ccc1OCC(N)=O ZINC000036612908 213102101 /nfs/dbraw/zinc/10/21/01/213102101.db2.gz WRCOLQMMOAXLPQ-UHFFFAOYSA-N 0 3 343.265 2.839 40 0 EFABHN Cc1cc(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)co1 ZINC000186866404 236048321 /nfs/dbraw/zinc/04/83/21/236048321.db2.gz OWVCTMSOVUUGEZ-UHFFFAOYSA-N 0 3 341.411 2.666 40 0 EFABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](CN)c2cccc(Cl)c2)C1 ZINC000035622925 213042174 /nfs/dbraw/zinc/04/21/74/213042174.db2.gz HLKRLEGOUNMEFF-CABCVRRESA-N 0 3 339.867 2.939 40 0 EFABHN O=C(CNCCc1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 ZINC000035311463 213020284 /nfs/dbraw/zinc/02/02/84/213020284.db2.gz DRIMIJNHAGRVGH-UHFFFAOYSA-N 0 3 346.814 2.517 40 0 EFABHN C[C@H]1Cc2cc([C@H](O)CN3CCCCC3)ccc2N1C(=O)C1CC1 ZINC000012181033 291163065 /nfs/dbraw/zinc/16/30/65/291163065.db2.gz XYHKPTLJDNZHQN-IFXJQAMLSA-N 0 3 328.456 2.894 40 0 EFABHN Cc1nccn1-c1cncc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072355434 216165111 /nfs/dbraw/zinc/16/51/11/216165111.db2.gz XHEFFTNOTGMBAR-KRWDZBQOSA-N 0 3 334.427 2.745 40 0 EFABHN COCCN1CCC[C@H](c2nccnc2-c2cccc(OC)c2)C1 ZINC000072358501 216166489 /nfs/dbraw/zinc/16/64/89/216166489.db2.gz BAWOPUSIHODOTI-INIZCTEOSA-N 0 3 327.428 2.978 40 0 EFABHN CC[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1 ZINC000072340189 216158507 /nfs/dbraw/zinc/15/85/07/216158507.db2.gz PNPDDXLMSPLHIB-ALKREAHSSA-N 0 3 331.412 2.570 40 0 EFABHN CCc1nccn1-c1nccnc1[C@H]1CCCN(Cc2cccnc2)C1 ZINC000072350558 216162921 /nfs/dbraw/zinc/16/29/21/216162921.db2.gz FUQDPRGPTWJRAU-KRWDZBQOSA-N 0 3 348.454 2.999 40 0 EFABHN Cc1cc(Oc2ccccc2C)nc(C2CCN(C(=O)CN)CC2)n1 ZINC000072363218 216170435 /nfs/dbraw/zinc/17/04/35/216170435.db2.gz CRKFZSZREAMABJ-UHFFFAOYSA-N 0 3 340.427 2.550 40 0 EFABHN CC(=O)NCc1cncc([C@H]2CCCN2CCc2ccc(F)cc2)n1 ZINC000072379608 216180875 /nfs/dbraw/zinc/18/08/75/216180875.db2.gz YEBGHTZNFCOEFP-LJQANCHMSA-N 0 3 342.418 2.631 40 0 EFABHN c1ccc(-c2cc(CNCCc3ccccn3)c3nnnn3c2)cc1 ZINC000072392322 216191468 /nfs/dbraw/zinc/19/14/68/216191468.db2.gz BFVAJKFQVXITHI-UHFFFAOYSA-N 0 3 330.395 2.519 40 0 EFABHN O=c1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392934 216190515 /nfs/dbraw/zinc/19/05/15/216190515.db2.gz MNUZZJFPOVMYNQ-INIZCTEOSA-N 0 3 347.422 2.607 40 0 EFABHN O=c1cc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392934 216190519 /nfs/dbraw/zinc/19/05/19/216190519.db2.gz MNUZZJFPOVMYNQ-INIZCTEOSA-N 0 3 347.422 2.607 40 0 EFABHN O=c1cc([C@@H]2CCC[N@H+](Cc3ccoc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392936 216191724 /nfs/dbraw/zinc/19/17/24/216191724.db2.gz FYPICXCXTQULML-MRXNPFEDSA-N 0 3 336.395 2.805 40 0 EFABHN O=c1cc([C@@H]2CCC[N@@H+](Cc3ccoc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392936 216191726 /nfs/dbraw/zinc/19/17/26/216191726.db2.gz FYPICXCXTQULML-MRXNPFEDSA-N 0 3 336.395 2.805 40 0 EFABHN COc1cccc(C(=O)NCC2CCN(Cc3ccco3)CC2)c1 ZINC000023128025 212352571 /nfs/dbraw/zinc/35/25/71/212352571.db2.gz KLLQAOJIWVQHKZ-UHFFFAOYSA-N 0 3 328.412 2.930 40 0 EFABHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc3ncccc32)[C@@H](C)C1 ZINC000195530980 240984767 /nfs/dbraw/zinc/98/47/67/240984767.db2.gz SWBYJJDDYXSHNL-WMLDXEAASA-N 0 3 347.484 2.586 40 0 EFABHN CC[C@H](CN[C@H]1CCCS(=O)(=O)C1)Oc1ccccc1Cl ZINC000195549850 240999718 /nfs/dbraw/zinc/99/97/18/240999718.db2.gz HJKMKTIOPNQAAW-QWHCGFSZSA-N 0 3 331.865 2.664 40 0 EFABHN Cc1ncsc1CN(C)C[C@H]1CCN([C@H](C)c2cnccn2)C1 ZINC000225718894 242002292 /nfs/dbraw/zinc/00/22/92/242002292.db2.gz WBYZORUJUFCYPI-HUUCEWRRSA-N 0 3 331.489 2.756 40 0 EFABHN CN1C[C@H](C(=O)Nc2nnc(C3CC3)s2)[C@H](c2ccccc2)C1 ZINC000230104056 242231178 /nfs/dbraw/zinc/23/11/78/242231178.db2.gz XRIYYAKHQNIHSG-KBPBESRZSA-N 0 3 328.441 2.699 40 0 EFABHN CC(C)(N)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000236798905 242362329 /nfs/dbraw/zinc/36/23/29/242362329.db2.gz ZQHNIYBJFICVCT-UHFFFAOYSA-N 0 3 327.158 2.948 40 0 EFABHN CCO[C@@H]1C[C@H](NCc2ccnn2-c2ccccc2)C12CCOCC2 ZINC000241969493 243007457 /nfs/dbraw/zinc/00/74/57/243007457.db2.gz UWQORDYKBWRBKB-RBUKOAKNSA-N 0 3 341.455 2.936 40 0 EFABHN c1cc2n(c1)C[C@@H](OCc1ccccn1)CN(CC1CCOCC1)C2 ZINC000253588480 244025412 /nfs/dbraw/zinc/02/54/12/244025412.db2.gz FERCLAANGGFDCA-FQEVSTJZSA-N 0 3 341.455 2.711 40 0 EFABHN c1cc2n(c1)C[C@H](Oc1cccnc1)CN(CC1CCOCC1)C2 ZINC000253588733 244026297 /nfs/dbraw/zinc/02/62/97/244026297.db2.gz QCWLEARSAIQIRU-LJQANCHMSA-N 0 3 327.428 2.573 40 0 EFABHN CCN(Cc1ccccc1)C(=O)c1cncc([C@@H]2CCCN(C)C2)n1 ZINC000257200448 244118886 /nfs/dbraw/zinc/11/88/86/244118886.db2.gz ADJKAJZVKNOGQF-QGZVFWFLSA-N 0 3 338.455 2.948 40 0 EFABHN C[C@]1(COc2cccnc2)C[C@@H]2CN(Cc3cccnc3)CC[C@@H]2O1 ZINC000257208209 244140170 /nfs/dbraw/zinc/14/01/70/244140170.db2.gz BLDWAPGDMPGWOG-YZGWKJHDSA-N 0 3 339.439 2.925 40 0 EFABHN Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)/C=C/c3cccnc3)C2)n1 ZINC000257214476 244164926 /nfs/dbraw/zinc/16/49/26/244164926.db2.gz CMCWYQHNPKFJOV-DKRLNXSXSA-N 0 3 336.439 2.880 40 0 EFABHN Cc1nc[nH]c1CN1CC[C@@H]2O[C@@](C)(COc3cccnc3)C[C@@H]2C1 ZINC000257221645 244185614 /nfs/dbraw/zinc/18/56/14/244185614.db2.gz DPZQXJOFBYMHPR-AYOQOUSVSA-N 0 3 342.443 2.562 40 0 EFABHN CCOc1ccc(CN2CCC[C@H](Cc3cc[nH]n3)C2)cc1CO ZINC000257221537 244186490 /nfs/dbraw/zinc/18/64/90/244186490.db2.gz DPMIWJCHCQIHNU-OAHLLOKOSA-N 0 3 329.444 2.755 40 0 EFABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccccc3F)CCO2)n1 ZINC000257218978 244178545 /nfs/dbraw/zinc/17/85/45/244178545.db2.gz DFCHCJKWEPRGFF-GOSISDBHSA-N 0 3 343.402 2.809 40 0 EFABHN COc1cc(CN2C[C@@H]3[C@H](Nc4cccnn4)CC[C@@H]3C2)ccc1F ZINC000257236742 244232945 /nfs/dbraw/zinc/23/29/45/244232945.db2.gz HDOCWKPHNSHSFI-HLLBOEOZSA-N 0 3 342.418 2.947 40 0 EFABHN O[C@@H]1CCCOC12CCN(Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000257250613 244267755 /nfs/dbraw/zinc/26/77/55/244267755.db2.gz JNHKSMNMYUYUFR-QGZVFWFLSA-N 0 3 327.428 2.583 40 0 EFABHN O[C@H]1CCCOC12CCN(Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000257250612 244268881 /nfs/dbraw/zinc/26/88/81/244268881.db2.gz JNHKSMNMYUYUFR-KRWDZBQOSA-N 0 3 327.428 2.583 40 0 EFABHN Cc1c[nH]c(-c2cncc([C@@H]3CCCN(Cc4ccccn4)C3)n2)n1 ZINC000257272477 244383016 /nfs/dbraw/zinc/38/30/16/244383016.db2.gz NCOCSTKKIDZWEQ-OAHLLOKOSA-N 0 3 334.427 2.950 40 0 EFABHN Cc1c[nH]c(-c2cncc([C@H]3CCCN(Cc4ccccn4)C3)n2)n1 ZINC000257272476 244383761 /nfs/dbraw/zinc/38/37/61/244383761.db2.gz NCOCSTKKIDZWEQ-HNNXBMFYSA-N 0 3 334.427 2.950 40 0 EFABHN Cc1nccc([C@H]2CCCN(Cc3cccc(OCCO)c3)C2)n1 ZINC000257272327 244384140 /nfs/dbraw/zinc/38/41/40/244384140.db2.gz NCADJAOGMZTVGB-KRWDZBQOSA-N 0 3 327.428 2.536 40 0 EFABHN CNc1ncccc1CN1CCC[C@](C)(C(=O)NC2CCCC2)C1 ZINC000019746721 212061070 /nfs/dbraw/zinc/06/10/70/212061070.db2.gz BTPICVFFJRDOSP-IBGZPJMESA-N 0 3 330.476 2.784 40 0 EFABHN CCn1cncc1CN(Cc1ccccn1)C[C@@H]1CCCN1CC ZINC000019578566 212047187 /nfs/dbraw/zinc/04/71/87/212047187.db2.gz VRODXLXMQPMBSJ-SFHVURJKSA-N 0 3 327.476 2.785 40 0 EFABHN CN1CCc2nc([C@H]3CCCN(C(=O)C4CCCCC4)C3)ncc2C1 ZINC000019590369 212049569 /nfs/dbraw/zinc/04/95/69/212049569.db2.gz OMHVTJPWKDYGGY-INIZCTEOSA-N 0 3 342.487 2.751 40 0 EFABHN CN1CCC(c2ncc3c(n2)CCN(C(=O)CC2CCCC2)C3)CC1 ZINC000019588256 212049205 /nfs/dbraw/zinc/04/92/05/212049205.db2.gz MCDOEZAWBNWRAJ-UHFFFAOYSA-N 0 3 342.487 2.751 40 0 EFABHN COCC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C ZINC000019590808 212048220 /nfs/dbraw/zinc/04/82/20/212048220.db2.gz DZWXGGZIWCQZRA-SCTDSRPQSA-N 0 3 334.435 2.641 40 0 EFABHN CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)C(C)C ZINC000079410224 284194037 /nfs/dbraw/zinc/19/40/37/284194037.db2.gz MEELSOBURCLVDH-ILXRZTDVSA-N 0 3 341.496 2.654 40 0 EFABHN COc1ccccc1C[N@@H+]1CCC[C@H](c2nc(C)c(C)c(=O)[n-]2)C1 ZINC000019555419 212040335 /nfs/dbraw/zinc/04/03/35/212040335.db2.gz UDLXPAQTRWQGLT-INIZCTEOSA-N 0 3 327.428 2.775 40 0 EFABHN COc1ccccc1C[N@H+]1CCC[C@H](c2nc(C)c(C)c(=O)[n-]2)C1 ZINC000019555419 212040339 /nfs/dbraw/zinc/04/03/39/212040339.db2.gz UDLXPAQTRWQGLT-INIZCTEOSA-N 0 3 327.428 2.775 40 0 EFABHN CC[C@@H](c1nnnn1CCC(C)C)N1CCN(C2CCCC2)CC1 ZINC000019500634 212033604 /nfs/dbraw/zinc/03/36/04/212033604.db2.gz PFBVRTGOALXPOW-KRWDZBQOSA-N 0 3 334.512 2.731 40 0 EFABHN CC[C@@H](c1nnnn1C1CCCC1)N1CCN(C2CCCC2)CC1 ZINC000019500594 212033446 /nfs/dbraw/zinc/03/34/46/212033446.db2.gz BEXRAVOPCUHJJV-KRWDZBQOSA-N 0 3 332.496 2.800 40 0 EFABHN Fc1ccc(-c2cc(CNCCc3ccco3)c3nnnn3c2)cc1 ZINC000019342281 212018744 /nfs/dbraw/zinc/01/87/44/212018744.db2.gz QMDPUNSACXUKMY-UHFFFAOYSA-N 0 3 337.358 2.856 40 0 EFABHN OC1(Cn2ccc3ccncc32)C[C@H]2CC[C@@H](C1)N2Cc1cccnc1 ZINC000019338744 212017989 /nfs/dbraw/zinc/01/79/89/212017989.db2.gz GHIAPJZHPTYJCS-PMSBKCLSSA-N 0 3 348.450 2.989 40 0 EFABHN Fc1ccc(CN2CCC[C@@H]2Cn2nnc(-c3ccncc3)n2)cc1 ZINC000019334176 212017194 /nfs/dbraw/zinc/01/71/94/212017194.db2.gz QGFQTSUMQAUSNB-QGZVFWFLSA-N 0 3 338.390 2.539 40 0 EFABHN CN1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)CC(C)(C)C)C3)C1 ZINC000019082707 212000245 /nfs/dbraw/zinc/00/02/45/212000245.db2.gz FTYXQYDGLFPITN-CQSZACIVSA-N 0 3 330.476 2.607 40 0 EFABHN CCS[C@H]1CCCC[C@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000078289483 217038385 /nfs/dbraw/zinc/03/83/85/217038385.db2.gz SPLRMTLHHABSJG-CVEARBPZSA-N 0 3 325.522 2.977 40 0 EFABHN CNS(=O)(=O)Cc1cccc(CNCc2ccc(Cl)cc2)c1 ZINC000078553430 217075433 /nfs/dbraw/zinc/07/54/33/217075433.db2.gz VRIHTNSFWROWII-UHFFFAOYSA-N 0 3 338.860 2.679 40 0 EFABHN CC(C)Oc1ccccc1C(=O)N1CCN(c2ccncc2)CC1 ZINC000078557396 217077354 /nfs/dbraw/zinc/07/73/54/217077354.db2.gz FAPCCBCVJGXDIS-UHFFFAOYSA-N 0 3 325.412 2.831 40 0 EFABHN Cn1cc(CNCCOc2ccc(F)c(F)c2)c(-c2ccncc2)n1 ZINC000078604192 217085187 /nfs/dbraw/zinc/08/51/87/217085187.db2.gz ISLUKKTXLLIEOI-UHFFFAOYSA-N 0 3 344.365 2.929 40 0 EFABHN CC(C)[C@H](N)C(=O)N(C(C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079404711 217219979 /nfs/dbraw/zinc/21/99/79/217219979.db2.gz OJCKWVXKICVMSX-MOPGFXCFSA-N 0 3 331.504 2.871 40 0 EFABHN CC(C)N(C[C@@H]1CCCCN1CCO)C(=O)OCc1ccccc1 ZINC000079411163 217221475 /nfs/dbraw/zinc/22/14/75/217221475.db2.gz GAVLVXZZRTYWJM-SFHVURJKSA-N 0 3 334.460 2.880 40 0 EFABHN CC(C)N(CC1CCN(CCO)CC1)C(=O)OCc1ccccc1 ZINC000079411189 217222277 /nfs/dbraw/zinc/22/22/77/217222277.db2.gz HFBNRPBBYMIHAR-UHFFFAOYSA-N 0 3 334.460 2.738 40 0 EFABHN CC[C@@H](NC(=O)NCCN1CCC(OC)CC1)c1ccc(C)cc1 ZINC000080057158 217275679 /nfs/dbraw/zinc/27/56/79/217275679.db2.gz XVRJZBLWDGXEGL-GOSISDBHSA-N 0 3 333.476 2.856 40 0 EFABHN Cc1ccc(CC(=O)N2Cc3ccccc3OC[C@H]2CN(C)C)cc1 ZINC000012366112 211356819 /nfs/dbraw/zinc/35/68/19/211356819.db2.gz XSHUCFDXPGHXAG-LJQANCHMSA-N 0 3 338.451 2.889 40 0 EFABHN Cc1ccc(CC(=O)N2Cc3ccccc3OC[C@@H]2CN(C)C)cc1 ZINC000012366113 211356832 /nfs/dbraw/zinc/35/68/32/211356832.db2.gz XSHUCFDXPGHXAG-IBGZPJMESA-N 0 3 338.451 2.889 40 0 EFABHN Cc1cc2nc(C3CCN(Cc4cccc(O)c4)CC3)cc(N)n2n1 ZINC000012121491 211300475 /nfs/dbraw/zinc/30/04/75/211300475.db2.gz TZWPSGRUQCHQAF-UHFFFAOYSA-N 0 3 337.427 2.705 40 0 EFABHN Fc1ccc(OCCN2CCN(C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000091676197 218046109 /nfs/dbraw/zinc/04/61/09/218046109.db2.gz YLJBMXFCYCNCCP-CQSZACIVSA-N 0 3 342.842 2.512 40 0 EFABHN Cc1ccc(NC(=O)C2CC[NH+](Cc3nc(C)ccc3[O-])CC2)nc1 ZINC000091687203 218046342 /nfs/dbraw/zinc/04/63/42/218046342.db2.gz SIVKUYGRPBOMDF-UHFFFAOYSA-N 0 3 340.427 2.650 40 0 EFABHN O=C(NCCc1cccs1)NCC1CCN(c2ccncc2)CC1 ZINC000092853479 218177280 /nfs/dbraw/zinc/17/72/80/218177280.db2.gz ZMQKKCJZDQYHHZ-UHFFFAOYSA-N 0 3 344.484 2.901 40 0 EFABHN CN(C)[C@@H](CNC(=O)c1cncn1-c1ccccc1)c1ccccc1 ZINC000009834080 211127170 /nfs/dbraw/zinc/12/71/70/211127170.db2.gz RGELVVYLVGWAAW-SFHVURJKSA-N 0 3 334.423 2.905 40 0 EFABHN CC(C)(C)NCC(=O)Nc1ccccc1I ZINC000007990224 210877663 /nfs/dbraw/zinc/87/76/63/210877663.db2.gz FJLHPJNYYFYZHG-UHFFFAOYSA-N 0 3 332.185 2.618 40 0 EFABHN Cc1ccc(CN2CCC3(CC2)CN(Cc2nccs2)CCO3)o1 ZINC000096048978 218538621 /nfs/dbraw/zinc/53/86/21/218538621.db2.gz BZMOJMYLDDQKNN-UHFFFAOYSA-N 0 3 347.484 2.912 40 0 EFABHN Cc1ccc(CN2CCC3(CCOC[C@@H]3NC(=O)CC3CC3)CC2)o1 ZINC000096219176 218695012 /nfs/dbraw/zinc/69/50/12/218695012.db2.gz VBMYXVAELSLRTI-SFHVURJKSA-N 0 3 346.471 2.875 40 0 EFABHN O=C(O[C@@H]1CCN2CCC[C@H]12)C(O)(c1ccccc1)c1ccccc1 ZINC000005063843 210380275 /nfs/dbraw/zinc/38/02/75/210380275.db2.gz ITNRFSFKGBWFIP-RTBURBONSA-N 0 3 337.419 2.702 40 0 EFABHN CC(=O)Nc1ccc(N2C(=O)C[C@@H](N(C)C3CCCCC3)C2=O)cc1 ZINC000005043862 210372412 /nfs/dbraw/zinc/37/24/12/210372412.db2.gz XUQLWSMKJRNVJF-QGZVFWFLSA-N 0 3 343.427 2.541 40 0 EFABHN C[C@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCN(c2ccccc2)C1 ZINC000097375069 219018027 /nfs/dbraw/zinc/01/80/27/219018027.db2.gz CFSOAKNTEIODJR-SJORKVTESA-N 0 3 344.480 2.717 40 0 EFABHN O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCC(O)CC1 ZINC000022011105 285307354 /nfs/dbraw/zinc/30/73/54/285307354.db2.gz YQYMPSBTQIUQPX-LJQANCHMSA-N 0 3 327.424 2.550 40 0 EFABHN Cc1ccc(OCC(=O)N2CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000169309812 226240037 /nfs/dbraw/zinc/24/00/37/226240037.db2.gz PSSBCZKPPVJWCN-IPMKNSEASA-N 0 3 340.467 2.730 40 0 EFABHN CN(CCC1OCCO1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000123912750 222351368 /nfs/dbraw/zinc/35/13/68/222351368.db2.gz UDUITLRQYCVITD-DZGCQCFKSA-N 0 3 332.227 2.646 40 0 EFABHN FC(F)(F)c1ccc(N2CC[C@H](OCCN3CCCCC3)C2)nn1 ZINC000096489035 544559948 /nfs/dbraw/zinc/55/99/48/544559948.db2.gz MEBRCSVGINZYJF-ZDUSSCGKSA-N 0 3 344.381 2.577 40 0 EFABHN COc1ccc(CN2CCc3ncnc(N4CCCC4)c3CC2)cc1 ZINC000096255442 274109995 /nfs/dbraw/zinc/10/99/95/274109995.db2.gz IDCVZXYFAWUUJV-UHFFFAOYSA-N 0 3 338.455 2.686 40 0 EFABHN Cc1cc(N)cc([C@H]2CN(c3ccc(C(F)(F)F)cn3)CCO2)n1 ZINC000257301512 274703152 /nfs/dbraw/zinc/70/31/52/274703152.db2.gz RYUGOKIHRXMJCZ-CQSZACIVSA-N 0 3 338.333 2.964 40 0 EFABHN Cc1nocc1C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000096079741 274875389 /nfs/dbraw/zinc/87/53/89/274875389.db2.gz VYZHZOOAFIUECN-INIZCTEOSA-N 0 3 341.411 2.701 40 0 EFABHN CN1C(=O)CCC[C@H]2CN(CC3=Cc4ccccc4OC3)CC[C@H]21 ZINC000257289470 277006360 /nfs/dbraw/zinc/00/63/60/277006360.db2.gz PYTNUJANHKKCDG-ZWKOTPCHSA-N 0 3 326.440 2.795 40 0 EFABHN CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCCN(CC3CC3)C2)C1 ZINC000012365388 278073890 /nfs/dbraw/zinc/07/38/90/278073890.db2.gz IELQPLVYUSWBSW-FQEVSTJZSA-N 0 3 328.456 2.981 40 0 EFABHN CC(C)[C@H](N)C(=O)N1CCC[C@H]1CN(C(=O)OC(C)(C)C)C(C)C ZINC000079410249 280272873 /nfs/dbraw/zinc/27/28/73/280272873.db2.gz GYIPKTDGVLFJQF-GJZGRUSLSA-N 0 3 341.496 2.606 40 0 EFABHN CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000222728104 289860650 /nfs/dbraw/zinc/86/06/50/289860650.db2.gz FFZLJAYGOGLDAP-DLBZAZTESA-N 0 3 335.436 2.870 40 0 EFABHN CN1C[C@@H](C(=O)N2CCCCCC2)[C@]2(C1)CCc1ccccc1C2=O ZINC000019590821 290261272 /nfs/dbraw/zinc/26/12/72/290261272.db2.gz SPTWJGWUTKFZQK-GHTZIAJQSA-N 0 3 340.467 2.766 40 0 EFABHN Cc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000245952087 293513299 /nfs/dbraw/zinc/51/32/99/293513299.db2.gz LIMXGPNKFZCNHR-ZNMIVQPWSA-N 0 3 349.479 2.704 40 0 EFABHN Cc1ccc(CN(C)C)cc1NC(=O)CNC(=O)c1cccc(F)c1 ZINC000097238597 323214198 /nfs/dbraw/zinc/21/41/98/323214198.db2.gz BQEKUZUEIBRIDX-UHFFFAOYSA-N 0 3 343.402 2.564 40 0 EFABHN CCS[C@@H]1CCCC[C@@H]1N[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000189502836 323447809 /nfs/dbraw/zinc/44/78/09/323447809.db2.gz ZBQUWXVVDYQYBW-ARFHVFGLSA-N 0 3 336.505 2.569 40 0 EFABHN Cc1ccc(CN2C[C@H]3OCC[C@H]3[C@H](C(=O)N3CCCC3)C2)s1 ZINC000096038865 473258927 /nfs/dbraw/zinc/25/89/27/473258927.db2.gz SJMULVMVLQLBMI-GVDBMIGSSA-N 0 3 334.485 2.516 40 0 EFABHN Cn1cc(CN2CC[C@@H]3OCCC[C@]3(COCC3CCCC3)C2)cn1 ZINC000096039953 473259662 /nfs/dbraw/zinc/25/96/62/473259662.db2.gz ADQWHPHVUMRGFK-VQTJNVASSA-N 0 3 347.503 2.998 40 0 EFABHN Cn1cc(CN2CC[C@H]3OCCC[C@]3(COCC3CCC3)C2)cn1 ZINC000096040282 473261969 /nfs/dbraw/zinc/26/19/69/473261969.db2.gz NPZVKGKWKHXSNQ-RTBURBONSA-N 0 3 333.476 2.608 40 0 EFABHN Cn1cc(CN2CCC[C@@]3(CCN(Cc4ccsc4)C3)C2)cn1 ZINC000096046978 473270193 /nfs/dbraw/zinc/27/01/93/473270193.db2.gz XCPBOJIXTOAVRZ-GOSISDBHSA-N 0 3 330.501 2.970 40 0 EFABHN c1cc(CN2CCC3(CC2)CN(Cc2ccccn2)CCO3)co1 ZINC000096048956 473270789 /nfs/dbraw/zinc/27/07/89/473270789.db2.gz HXBSGEAMJREMNK-UHFFFAOYSA-N 0 3 327.428 2.542 40 0 EFABHN Cc1nc(CN2C[C@@]3(CCN(Cc4ccoc4)C3)CC2=O)cs1 ZINC000096050898 473273131 /nfs/dbraw/zinc/27/31/31/473273131.db2.gz KZVAXJMAOTZCKC-KRWDZBQOSA-N 0 3 331.441 2.669 40 0 EFABHN O=C1C[C@]2(CCN(Cc3ccncc3)C2)CN1c1cccc(F)c1 ZINC000096050733 473273725 /nfs/dbraw/zinc/27/37/25/473273725.db2.gz MMFCQBTUOMEUQQ-IBGZPJMESA-N 0 3 325.387 2.850 40 0 EFABHN Cc1nc(CN2C[C@]3(CCN(Cc4ccoc4)C3)CC2=O)cs1 ZINC000096050899 473274205 /nfs/dbraw/zinc/27/42/05/473274205.db2.gz KZVAXJMAOTZCKC-QGZVFWFLSA-N 0 3 331.441 2.669 40 0 EFABHN O=C(NCC1CC1)[C@H]1CN(Cc2ccc(F)cc2)CC12CCOCC2 ZINC000096052135 473275202 /nfs/dbraw/zinc/27/52/02/473275202.db2.gz LKXKMDISYSVDPV-GOSISDBHSA-N 0 3 346.446 2.581 40 0 EFABHN Cc1ccc(CN2C[C@@H]3CN(C(=O)c4cscn4)C[C@@H]3C2)s1 ZINC000096053931 473275935 /nfs/dbraw/zinc/27/59/35/473275935.db2.gz GEXLIMJDIPTMLO-BETUJISGSA-N 0 3 333.482 2.717 40 0 EFABHN Cc1ccc(CN2CCN3C[C@@H](OCc4cccc(C)n4)C[C@H]3C2)o1 ZINC000096055085 473278322 /nfs/dbraw/zinc/27/83/22/473278322.db2.gz GJNBJGJWLCNZOD-ICSRJNTNSA-N 0 3 341.455 2.767 40 0 EFABHN Cc1ccc(CN2CCN3C[C@@H](OCc4cccc(C)n4)C[C@@H]3C2)o1 ZINC000096055083 473278778 /nfs/dbraw/zinc/27/87/78/473278778.db2.gz GJNBJGJWLCNZOD-QUCCMNQESA-N 0 3 341.455 2.767 40 0 EFABHN Cc1ccc(CN2CCN3C[C@H](OCc4cccc(C)n4)C[C@@H]3C2)o1 ZINC000096055082 473279460 /nfs/dbraw/zinc/27/94/60/473279460.db2.gz GJNBJGJWLCNZOD-UYAOXDASSA-N 0 3 341.455 2.767 40 0 EFABHN c1csc(CNC[C@H]2Cn3nnc(-c4ccccc4)c3CO2)c1 ZINC000096061070 473285968 /nfs/dbraw/zinc/28/59/68/473285968.db2.gz YCQIHHWTFABLJO-AWEZNQCLSA-N 0 3 326.425 2.695 40 0 EFABHN Cc1ccc(CN2CCC3(CC[C@@H](C(=O)N4CCCC4)O3)CC2)o1 ZINC000096061233 473286122 /nfs/dbraw/zinc/28/61/22/473286122.db2.gz KJSYLKRABYJKRW-KRWDZBQOSA-N 0 3 332.444 2.724 40 0 EFABHN O=C(c1cscn1)N1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC000096071015 473289859 /nfs/dbraw/zinc/28/98/59/473289859.db2.gz GGJMDHJCBQXDBO-UHFFFAOYSA-N 0 3 327.453 2.881 40 0 EFABHN C[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2N(C)Cc1cccnc1 ZINC000096063720 473287342 /nfs/dbraw/zinc/28/73/42/473287342.db2.gz PSMGYCXHCXOEDX-DBDQLMEASA-N 0 3 327.472 2.797 40 0 EFABHN COCCO[C@H]1CCN(Cc2ccc(C)s2)[C@H]1Cc1cnn(C)c1 ZINC000096061641 473285446 /nfs/dbraw/zinc/28/54/46/473285446.db2.gz OVBFLGAHHBCJEM-ROUUACIJSA-N 0 3 349.500 2.639 40 0 EFABHN Fc1ccccc1CN1CCC2(C[C@H](Nc3cnccn3)CO2)CC1 ZINC000096074290 473290401 /nfs/dbraw/zinc/29/04/01/473290401.db2.gz OQUFFKBNTOLLCD-INIZCTEOSA-N 0 3 342.418 2.851 40 0 EFABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096076255 473290445 /nfs/dbraw/zinc/29/04/45/473290445.db2.gz AWZLXMTXKQSXHK-HXUWFJFHSA-N 0 3 330.472 2.579 40 0 EFABHN CCN1CCOC[C@@]2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000096076486 473290728 /nfs/dbraw/zinc/29/07/28/473290728.db2.gz IWSNRABRJOUOJT-FQEVSTJZSA-N 0 3 341.455 2.742 40 0 EFABHN Cc1ccc(CN2CC[C@H](F)[C@]3(CCN(Cc4cnn(C)c4)C3)C2)o1 ZINC000096078740 473291414 /nfs/dbraw/zinc/29/14/14/473291414.db2.gz OQAPZIMNYAKCNM-RBUKOAKNSA-N 0 3 346.450 2.758 40 0 EFABHN Cc1ccc(CN2CC[C@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)s1 ZINC000096093130 473293142 /nfs/dbraw/zinc/29/31/42/473293142.db2.gz WGBMNJFLCDDFLK-YOEHRIQHSA-N 0 3 348.447 2.831 40 0 EFABHN Cc1ccc(CN2CC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)o1 ZINC000096107609 473300259 /nfs/dbraw/zinc/30/02/59/473300259.db2.gz TUWWBKHNUBEHGN-OALUTQOASA-N 0 3 328.412 2.933 40 0 EFABHN c1csc(CN2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)c1 ZINC000096108946 473302202 /nfs/dbraw/zinc/30/22/02/473302202.db2.gz DCFQBGSDXLPDJY-SJLPKXTDSA-N 0 3 330.453 2.808 40 0 EFABHN c1ccc(CO[C@@H]2COC3(C2)CCN(Cc2ccncc2)CC3)nc1 ZINC000096110826 473303917 /nfs/dbraw/zinc/30/39/17/473303917.db2.gz VTLYGWSKXUTPFK-IBGZPJMESA-N 0 3 339.439 2.817 40 0 EFABHN Cn1cc(-c2cc(CN3CCC[C@H]3C[C@H](O)c3ccco3)on2)cn1 ZINC000185023998 473303986 /nfs/dbraw/zinc/30/39/86/473303986.db2.gz MZIYYOPIOIVPCF-YOEHRIQHSA-N 0 3 342.399 2.756 40 0 EFABHN O=C1N(Cc2cccc(F)c2)CC[C@]12CCN(Cc1ccccn1)C2 ZINC000096159653 473319760 /nfs/dbraw/zinc/31/97/60/473319760.db2.gz ILUXHUALXHTBBI-FQEVSTJZSA-N 0 3 339.414 2.845 40 0 EFABHN Cc1nc(-c2cc(C(=O)NCCN(C)C)c3ccccn23)cs1 ZINC000096154805 473316512 /nfs/dbraw/zinc/31/65/12/473316512.db2.gz XJRUFLJJTFMVIB-UHFFFAOYSA-N 0 3 328.441 2.663 40 0 EFABHN CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1cccn1C)CC2 ZINC000096158675 473318187 /nfs/dbraw/zinc/31/81/87/473318187.db2.gz RFBWHFHTJMMWPG-SFHVURJKSA-N 0 3 343.471 2.874 40 0 EFABHN Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4ccccn4)CCN3C2)c1 ZINC000096183537 473325094 /nfs/dbraw/zinc/32/50/94/473325094.db2.gz DSUWTUWTDJPZJT-PKOBYXMFSA-N 0 3 327.403 2.558 40 0 EFABHN O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccco3)C[C@@H]21)c1ccsc1 ZINC000096185476 473325585 /nfs/dbraw/zinc/32/55/85/473325585.db2.gz XBODSJALCYWQEE-RRQGHBQHSA-N 0 3 346.452 2.608 40 0 EFABHN c1cc(CCN2CCC[C@H](c3nnc4n3CCCCC4)C2)ccn1 ZINC000124980805 473336088 /nfs/dbraw/zinc/33/60/88/473336088.db2.gz CUUVZYSXIXRRJS-KRWDZBQOSA-N 0 3 325.460 2.822 40 0 EFABHN CN1CCN(C[C@H]2CCC[C@]3(CCN(Cc4ccsc4)C3)O2)CC1 ZINC000096207510 473343139 /nfs/dbraw/zinc/34/31/39/473343139.db2.gz MJOOPPGFJDCGGB-RTBURBONSA-N 0 3 349.544 2.509 40 0 EFABHN O=C(C[C@H]1CNCCO1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000150733918 473343353 /nfs/dbraw/zinc/34/33/53/473343353.db2.gz YNIJSHOWINIBGF-HKUYNNGSSA-N 0 3 344.842 2.924 40 0 EFABHN c1csc(CN2CCOC[C@@]3(CCN(Cc4nccs4)C3)C2)c1 ZINC000096202202 473339333 /nfs/dbraw/zinc/33/93/33/473339333.db2.gz AAGZFMOUTLSMBO-QGZVFWFLSA-N 0 3 349.525 2.929 40 0 EFABHN O=C(N[C@@H]1CCO[C@]2(CCN(Cc3ccsc3)C2)C1)c1ccco1 ZINC000096205959 473341305 /nfs/dbraw/zinc/34/13/05/473341305.db2.gz PIACLUGHOJPHJY-CRAIPNDOSA-N 0 3 346.452 2.895 40 0 EFABHN O=C(COC[C@@]12CCC[C@@H]1CN(Cc1ccoc1)C2)N1CCCC1 ZINC000096207090 473343754 /nfs/dbraw/zinc/34/37/54/473343754.db2.gz GHNCEQVPBFABGI-MJGOQNOKSA-N 0 3 332.444 2.521 40 0 EFABHN Cn1cccc1C(=O)N1CCC[C@@]2(CCCN2Cc2cccnc2)C1 ZINC000096214902 473347878 /nfs/dbraw/zinc/34/78/78/473347878.db2.gz VRQWZIQBWLJYRX-HXUWFJFHSA-N 0 3 338.455 2.691 40 0 EFABHN Cc1ccsc1CN1C[C@H]2OC[C@@H](COc3ccncc3)[C@H]2C1 ZINC000096216559 473349034 /nfs/dbraw/zinc/34/90/34/473349034.db2.gz ZFNCDBKVEXEACW-DJIMGWMZSA-N 0 3 330.453 2.977 40 0 EFABHN c1coc(CN2CCC3(CCOC[C@H]3COc3cnccn3)CC2)c1 ZINC000096216673 473350077 /nfs/dbraw/zinc/35/00/77/473350077.db2.gz FPTDFSAKXGLJOX-INIZCTEOSA-N 0 3 343.427 2.767 40 0 EFABHN COc1cc(N2CCC[C@]3(CCN(Cc4ccoc4)C3)C2)ncn1 ZINC000096216500 473350624 /nfs/dbraw/zinc/35/06/24/473350624.db2.gz ITCAQMSCZCLZRM-GOSISDBHSA-N 0 3 328.416 2.571 40 0 EFABHN O=C(C[C@@H]1CO[C@@H]2CN(Cc3cccs3)C[C@H]12)Nc1cccnc1 ZINC000096218920 473350973 /nfs/dbraw/zinc/35/09/73/473350973.db2.gz BODVDXAFIMPQCW-KBRIMQKVSA-N 0 3 343.452 2.619 40 0 EFABHN Fc1ccc(CN2CC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cc1 ZINC000096219659 473352124 /nfs/dbraw/zinc/35/21/24/473352124.db2.gz FLEVCERPNJKUPS-FUHWJXTLSA-N 0 3 346.381 2.600 40 0 EFABHN O=C1N(Cc2ccncc2)CC[C@@]12CCCN(Cc1ccco1)C2 ZINC000096224437 473355230 /nfs/dbraw/zinc/35/52/30/473355230.db2.gz RBJUKRQIBOUTGU-LJQANCHMSA-N 0 3 325.412 2.689 40 0 EFABHN Cc1cccc(CN2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)n1 ZINC000096224525 473356039 /nfs/dbraw/zinc/35/60/39/473356039.db2.gz FUSXUWQQOPAMDV-HXUWFJFHSA-N 0 3 336.439 2.804 40 0 EFABHN O=C(Nc1cccnc1)C1=NO[C@]2(CCN(CC3CCCCC3)C2)C1 ZINC000096226046 473357595 /nfs/dbraw/zinc/35/75/95/473357595.db2.gz DSPZUUUFGCXVBM-LJQANCHMSA-N 0 3 342.443 2.821 40 0 EFABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)Cc3cccs3)C2)C1 ZINC000096228753 473359356 /nfs/dbraw/zinc/35/93/56/473359356.db2.gz YUDPOOJHOYTQKR-SFHVURJKSA-N 0 3 336.501 2.640 40 0 EFABHN O=C(c1ccc(F)cc1)N1CCC[C@@]2(C1)COCCN(CC1CC1)C2 ZINC000096228817 473359391 /nfs/dbraw/zinc/35/93/91/473359391.db2.gz GKBHLEQJIIVECJ-HXUWFJFHSA-N 0 3 346.446 2.790 40 0 EFABHN COC[C@@H]1CC2(CN1c1ncccn1)CCN(Cc1ccco1)CC2 ZINC000096240377 473362362 /nfs/dbraw/zinc/36/23/62/473362362.db2.gz KQPFDUSIKDGERN-INIZCTEOSA-N 0 3 342.443 2.577 40 0 EFABHN c1coc(CN2CC[C@H]3OCCN(Cc4cccnc4)[C@H]3CC2)c1 ZINC000096249374 473363571 /nfs/dbraw/zinc/36/35/71/473363571.db2.gz PNQTYYMGKCOXSE-RBUKOAKNSA-N 0 3 327.428 2.540 40 0 EFABHN Fc1ccc(-c2cnc3n2C[C@H](CNCc2ccccn2)OC3)cc1 ZINC000096296383 473372289 /nfs/dbraw/zinc/37/22/89/473372289.db2.gz LOUKLFVIRQEPKU-KRWDZBQOSA-N 0 3 338.386 2.773 40 0 biogenic,in-vitro EFABHN CC(C)C(=O)Nc1cccc(CNC(=O)N2CCC[C@@H](N(C)C)C2)c1 ZINC000096404192 473381374 /nfs/dbraw/zinc/38/13/74/473381374.db2.gz FTZCNZJGXIZJOQ-QGZVFWFLSA-N 0 3 346.475 2.517 40 0 EFABHN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)/C=C/c1cccnc1 ZINC000096407621 473385496 /nfs/dbraw/zinc/38/54/96/473385496.db2.gz QHPXNKXRGHIMAE-WHJOBHEISA-N 0 3 336.439 2.517 40 0 EFABHN O[C@@H](COc1c(F)cc(Br)cc1F)CN1CCCC1 ZINC000000230599 471339444 /nfs/dbraw/zinc/33/94/44/471339444.db2.gz RXJUEEPERKGZLZ-SNVBAGLBSA-N 0 3 336.176 2.563 40 0 EFABHN CN(C)CCC(=O)c1cc2c(cc1Br)OCCCO2 ZINC000005535337 471510355 /nfs/dbraw/zinc/51/03/55/471510355.db2.gz AAUXSCJWHPEDAN-UHFFFAOYSA-N 0 3 328.206 2.745 40 0 EFABHN CCOc1cc(CNC[C@H](C)O)cc(Br)c1OCC ZINC000008253842 471675393 /nfs/dbraw/zinc/67/53/93/471675393.db2.gz QVTUJZMEQAQBMQ-JTQLQIEISA-N 0 3 332.238 2.717 40 0 EFABHN c1ccc(CN(CCCN2CCOCC2)Cc2cccnc2)cc1 ZINC000013569028 471833982 /nfs/dbraw/zinc/83/39/82/471833982.db2.gz DDWLFKKECFIRTK-UHFFFAOYSA-N 0 3 325.456 2.806 40 0 EFABHN CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccccc2C(C)C)C1 ZINC000028295288 472220902 /nfs/dbraw/zinc/22/09/02/472220902.db2.gz UUJWJBPJLSKMCI-IAGOWNOFSA-N 0 3 349.471 2.825 40 0 EFABHN C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCOc3ccccc32)C[C@@H](C)O1 ZINC000085457823 472250777 /nfs/dbraw/zinc/25/07/77/472250777.db2.gz OORQTFXGOOOKQX-JFIYKMOQSA-N 0 3 346.471 2.558 40 0 EFABHN COc1cccc2cc(C(=O)N3CCCSC[C@H]3CN(C)C)oc21 ZINC000085473115 472253674 /nfs/dbraw/zinc/25/36/74/472253674.db2.gz FYYXTSVLJWPDPC-CQSZACIVSA-N 0 3 348.468 2.951 40 0 EFABHN CC(C)[C@H](NC1CCOCC1)C(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000076317279 472320462 /nfs/dbraw/zinc/32/04/62/472320462.db2.gz IAVVPMVJSGHIQL-INIZCTEOSA-N 0 3 348.472 2.870 40 0 EFABHN COc1cc(CCN[C@H]2CCS(=O)(=O)c3ccccc32)ccc1F ZINC000097099496 472446290 /nfs/dbraw/zinc/44/62/90/472446290.db2.gz JEOOYZVUQVWYFU-INIZCTEOSA-N 0 3 349.427 2.885 40 0 EFABHN c1cc(-c2noc([C@H]3CCCN3C3CCOCC3)n2)cc2c1OCC2 ZINC000097103455 472448862 /nfs/dbraw/zinc/44/88/62/472448862.db2.gz SATJHKJSRFJXMF-MRXNPFEDSA-N 0 3 341.411 2.987 40 0 EFABHN CCc1ccc([C@@H](CNC(=O)[C@@H]2Cc3ccccc3O2)N(C)C)cc1 ZINC000032733730 472460644 /nfs/dbraw/zinc/46/06/44/472460644.db2.gz KBEDORKVUMNQLZ-QUCCMNQESA-N 0 3 338.451 2.972 40 0 EFABHN Cn1cc(-c2cccc(CN[C@@H]3CCCC[C@H]3S(C)(=O)=O)c2)cn1 ZINC000097230770 472484138 /nfs/dbraw/zinc/48/41/38/472484138.db2.gz QJTVFGUZJBRFLR-QZTJIDSGSA-N 0 3 347.484 2.533 40 0 EFABHN Cc1ccc(F)cc1CN1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000097233860 472485084 /nfs/dbraw/zinc/48/50/84/472485084.db2.gz ACHYPUSVZXDALG-HOTGVXAUSA-N 0 3 348.462 2.982 40 0 EFABHN C[C@H](CCn1cccn1)NCc1cn2cc(Br)ccc2n1 ZINC000097234102 472485215 /nfs/dbraw/zinc/48/52/15/472485215.db2.gz FWOBUNFKKJIXPO-GFCCVEGCSA-N 0 3 348.248 2.862 40 0 EFABHN CC1([C@H]2CCCN(Cc3ccc(N4CCCC4)nc3)C2)OCCO1 ZINC000097373159 472493465 /nfs/dbraw/zinc/49/34/65/472493465.db2.gz KEEILDOLBXFEQV-KRWDZBQOSA-N 0 3 331.460 2.657 40 0 EFABHN O=C(COc1ccccc1F)NCC1CCN(c2ccncc2)CC1 ZINC000070928503 472524571 /nfs/dbraw/zinc/52/45/71/472524571.db2.gz YFXRVJMERWBHGI-UHFFFAOYSA-N 0 3 343.402 2.632 40 0 EFABHN O=C(NCc1cccs1)NCC1CCN(c2ccncc2)CC1 ZINC000070928890 472524812 /nfs/dbraw/zinc/52/48/12/472524812.db2.gz MXYZYBWPHABIHR-UHFFFAOYSA-N 0 3 330.457 2.859 40 0 EFABHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000058439165 472570133 /nfs/dbraw/zinc/57/01/33/472570133.db2.gz VNGIVLTWZQTNCN-CYBMUJFWSA-N 0 3 346.443 2.898 40 0 EFABHN CN1CCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216387 472634739 /nfs/dbraw/zinc/63/47/39/472634739.db2.gz IJRFQNKSNXWOPR-INIZCTEOSA-N 0 3 346.475 2.905 40 0 EFABHN COc1cccc2c1CC[C@H]2N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000090592542 472641347 /nfs/dbraw/zinc/64/13/47/472641347.db2.gz WJOLRJIIOVTNDJ-ZIAGYGMSSA-N 0 3 342.361 2.825 40 0 EFABHN CN(Cc1ccccc1)C[C@@H](O)Cn1cnc2cc(F)c(F)cc21 ZINC000060368134 472647842 /nfs/dbraw/zinc/64/78/42/472647842.db2.gz GDYFPOYNPWIMSN-CQSZACIVSA-N 0 3 331.366 2.807 40 0 EFABHN CN(Cc1ccccc1)C[C@H](O)Cn1cnc2cc(F)c(F)cc21 ZINC000060368133 472648718 /nfs/dbraw/zinc/64/87/18/472648718.db2.gz GDYFPOYNPWIMSN-AWEZNQCLSA-N 0 3 331.366 2.807 40 0 EFABHN CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C2CCCC2)C3)C1 ZINC000072390889 472663941 /nfs/dbraw/zinc/66/39/41/472663941.db2.gz PTSAUMVBWAZQIV-OAHLLOKOSA-N 0 3 328.460 2.503 40 0 EFABHN COc1ccccc1[C@H](NC[C@@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000091280562 472751861 /nfs/dbraw/zinc/75/18/61/472751861.db2.gz YWMDSPOCXOKQDJ-KBXCAEBGSA-N 0 3 337.485 2.951 40 0 EFABHN COC(=O)c1cc(NC(=S)NC2CCN(C)CC2)ccc1Cl ZINC000063147580 472757619 /nfs/dbraw/zinc/75/76/19/472757619.db2.gz KNYAQDRNTSFRIB-UHFFFAOYSA-N 0 3 341.864 2.507 40 0 EFABHN CCOC(=O)c1ccc(NC(=O)NCCN2CCCC[C@@H]2C)cc1 ZINC000048331812 472858700 /nfs/dbraw/zinc/85/87/00/472858700.db2.gz GJOOBJQOJQNYKF-AWEZNQCLSA-N 0 3 333.432 2.859 40 0 EFABHN Cc1ccc(CN2CCOC[C@]3(C[C@@H](Cn4ccnc4)CO3)C2)s1 ZINC000107738961 472979510 /nfs/dbraw/zinc/97/95/10/472979510.db2.gz CWWDOTJNCULINI-WMZOPIPTSA-N 0 3 347.484 2.561 40 0 EFABHN COc1ccc(CN2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)cc1 ZINC000107745967 472980826 /nfs/dbraw/zinc/98/08/26/472980826.db2.gz FTNBYZPKBLBBEZ-REPLKXPHSA-N 0 3 340.423 2.673 40 0 EFABHN Cc1ncsc1CN1CCC2(CC(NC(=O)c3cccnc3)C2)C1 ZINC000108524414 473033933 /nfs/dbraw/zinc/03/39/33/473033933.db2.gz XRTOXQHRWFGBEG-UHFFFAOYSA-N 0 3 342.468 2.631 40 0 EFABHN Cc1nn(C)cc1CN1CCC2(CC(NC(=O)c3ccsc3)C2)C1 ZINC000108524454 473034552 /nfs/dbraw/zinc/03/45/52/473034552.db2.gz RFWPBDQTQXHMPG-UHFFFAOYSA-N 0 3 344.484 2.575 40 0 EFABHN O=C(NC1CC2(C1)CCN(Cc1ccccn1)CC2)c1ccncc1 ZINC000108528445 473035670 /nfs/dbraw/zinc/03/56/70/473035670.db2.gz DABBLIVLYWEDPO-UHFFFAOYSA-N 0 3 336.439 2.651 40 0 EFABHN Cc1cccc(CN2CCC3(CC(NC(=O)c4cccnc4)C3)C2)n1 ZINC000108528037 473035699 /nfs/dbraw/zinc/03/56/99/473035699.db2.gz HCSLLCAVQQSXDE-UHFFFAOYSA-N 0 3 336.439 2.570 40 0 EFABHN Cc1cccnc1CN1CC[C@@]2(CCC[C@H]2C(=O)N2CCCCO2)C1 ZINC000108526621 473036331 /nfs/dbraw/zinc/03/63/31/473036331.db2.gz YKCLXSDABQWLJA-PXNSSMCTSA-N 0 3 343.471 2.936 40 0 EFABHN CN(C)C(=O)N[C@@H]1CCOC2(CCN(Cc3ccsc3)CC2)C1 ZINC000108533644 473037451 /nfs/dbraw/zinc/03/74/51/473037451.db2.gz BOKAYVYFLNDCQM-OAHLLOKOSA-N 0 3 337.489 2.533 40 0 EFABHN Cc1ncsc1CN1CC[C@@]2(CCC[C@@H]2C(=O)NCC2CC2)C1 ZINC000108534816 473037675 /nfs/dbraw/zinc/03/76/75/473037675.db2.gz DMIYSAKEXNHGTC-QAPCUYQASA-N 0 3 333.501 2.970 40 0 EFABHN Cc1ncsc1CN1CC[C@@]2(CCC[C@H]2C(=O)N2CCCCO2)C1 ZINC000108536442 473037862 /nfs/dbraw/zinc/03/78/62/473037862.db2.gz WWUUJCWGUKIEBL-YJBOKZPZSA-N 0 3 349.500 2.998 40 0 EFABHN Cc1cccnc1CN1CCC2(CC(NC(=O)c3cscn3)C2)C1 ZINC000108534852 473037898 /nfs/dbraw/zinc/03/78/98/473037898.db2.gz WATWTNJSQPHBRH-UHFFFAOYSA-N 0 3 342.468 2.631 40 0 EFABHN CCN1CCN([C@@H]2CCN(Cc3cccc(Cl)c3F)C2)CC1 ZINC000093133314 473049599 /nfs/dbraw/zinc/04/95/99/473049599.db2.gz ZMDRICKJSUALLN-OAHLLOKOSA-N 0 3 325.859 2.691 40 0 EFABHN Cc1ncsc1CCN1CCC(C(=O)NCc2ccco2)CC1 ZINC000096414847 473394613 /nfs/dbraw/zinc/39/46/13/473394613.db2.gz IREOIEXNZNPUKZ-UHFFFAOYSA-N 0 3 333.457 2.615 40 0 EFABHN Cc1ccc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)c(Cl)c1 ZINC000096418702 473398131 /nfs/dbraw/zinc/39/81/31/473398131.db2.gz XPIOZIGQBVOOHE-AWEZNQCLSA-N 0 3 338.883 2.653 40 0 EFABHN CC(C)[C@@H](NC1CCOCC1)C(=O)Nc1ccc2ccccc2n1 ZINC000096418691 473398697 /nfs/dbraw/zinc/39/86/97/473398697.db2.gz ZTVQWXRBBGMCLA-GOSISDBHSA-N 0 3 327.428 2.967 40 0 EFABHN COc1nc(C)cc(C)c1CNC(=O)c1cccc(CN(C)C)c1 ZINC000096421699 473400960 /nfs/dbraw/zinc/40/09/60/473400960.db2.gz KDCRWMNDJCMKHN-UHFFFAOYSA-N 0 3 327.428 2.699 40 0 EFABHN CC(C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1)S(C)(=O)=O ZINC000096426016 473404753 /nfs/dbraw/zinc/40/47/53/473404753.db2.gz PAXFRQRYXCZNKS-JTQLQIEISA-N 0 3 349.374 2.634 40 0 EFABHN Cc1cc(-n2cncn2)ccc1C(=O)N(CCN(C)C)C1CCCC1 ZINC000096426502 473405254 /nfs/dbraw/zinc/40/52/54/473405254.db2.gz JJNDZQAVPCBXPN-UHFFFAOYSA-N 0 3 341.459 2.522 40 0 EFABHN Cc1cccnc1[C@H](NC(=O)Nc1ccn(CCN(C)C)n1)C(C)C ZINC000096435350 473415344 /nfs/dbraw/zinc/41/53/44/473415344.db2.gz BEOZFCIRADKPKU-MRXNPFEDSA-N 0 3 344.463 2.667 40 0 EFABHN CN(C)CCn1ccc(NC(=O)NC2(c3cccc(Cl)c3)CC2)n1 ZINC000096435363 473415646 /nfs/dbraw/zinc/41/56/46/473415646.db2.gz RZFBSKDKGGUUPJ-UHFFFAOYSA-N 0 3 347.850 2.909 40 0 EFABHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CCCOC1 ZINC000096440557 473418769 /nfs/dbraw/zinc/41/87/69/473418769.db2.gz ZWFPFPABFVXBPP-RBUKOAKNSA-N 0 3 345.487 2.719 40 0 EFABHN Cc1ccc(CNC(=O)C2CCN(CCc3ccncc3)CC2)cc1 ZINC000096447082 473424683 /nfs/dbraw/zinc/42/46/83/473424683.db2.gz XLHAKUZXVKGUON-UHFFFAOYSA-N 0 3 337.467 2.961 40 0 EFABHN Cc1ccc(CNC(=O)C2CCN(C[C@H]3CCCCO3)CC2)cc1 ZINC000096447081 473425420 /nfs/dbraw/zinc/42/54/20/473425420.db2.gz PNXNIBVSZNQJBE-LJQANCHMSA-N 0 3 330.472 2.892 40 0 EFABHN CC(C)(C)/C=C/C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000096454417 473429516 /nfs/dbraw/zinc/42/95/16/473429516.db2.gz OTVNWAQTRNXYNA-DHZHZOJOSA-N 0 3 330.472 2.862 40 0 EFABHN Cc1cc(NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)ccc1C(=O)N(C)C ZINC000096476006 473439559 /nfs/dbraw/zinc/43/95/59/473439559.db2.gz SNPZSEBPSANLSW-WMLDXEAASA-N 0 3 346.475 2.501 40 0 EFABHN CC(C)C[C@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccccn1 ZINC000096476705 473439682 /nfs/dbraw/zinc/43/96/82/473439682.db2.gz IKFXIBVLIMSLOT-OALUTQOASA-N 0 3 349.544 2.966 40 0 EFABHN CC(C)C[C@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccccn1 ZINC000096476701 473440130 /nfs/dbraw/zinc/44/01/30/473440130.db2.gz IKFXIBVLIMSLOT-RBUKOAKNSA-N 0 3 349.544 2.966 40 0 EFABHN CN(C)CCN1CCCN(C(=O)c2cccc(-c3ccoc3)c2)CC1 ZINC000096485501 473444811 /nfs/dbraw/zinc/44/48/11/473444811.db2.gz PLUCACLPAVSESO-UHFFFAOYSA-N 0 3 341.455 2.656 40 0 EFABHN Cc1ccc2[nH]c([C@@H]3CCCN([C@@H]4CCN(C5CC5)C4=O)C3)nc2c1 ZINC000096490640 473446584 /nfs/dbraw/zinc/44/65/84/473446584.db2.gz JZVVMKUCLPCLNV-RDTXWAMCSA-N 0 3 338.455 2.814 40 0 EFABHN Cc1ccc2nc([C@@H]3CCCN([C@@H]4CCN(C5CC5)C4=O)C3)[nH]c2c1 ZINC000096490640 473446588 /nfs/dbraw/zinc/44/65/88/473446588.db2.gz JZVVMKUCLPCLNV-RDTXWAMCSA-N 0 3 338.455 2.814 40 0 EFABHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCCc1cccc2cccnc21 ZINC000096491561 473447251 /nfs/dbraw/zinc/44/72/51/473447251.db2.gz PBJLHORNCRPZAF-DLBZAZTESA-N 0 3 332.469 2.723 40 0 EFABHN O=S1(=O)CCC[C@H](NCCc2c[nH]c3cc(Cl)ccc23)C1 ZINC000096491612 473447688 /nfs/dbraw/zinc/44/76/88/473447688.db2.gz DRXMILQSJAJSOY-ZDUSSCGKSA-N 0 3 326.849 2.531 40 0 EFABHN Cc1cc(NC(=O)CN[C@H](C)c2cccc(N3CCCC3)c2)n(C)n1 ZINC000096492410 473447757 /nfs/dbraw/zinc/44/77/57/473447757.db2.gz LNGRJKGKRXRYKV-OAHLLOKOSA-N 0 3 341.459 2.618 40 0 EFABHN CS(=O)(=O)[C@H]1CCC[C@H]1NCC1(Sc2ccccc2)CC1 ZINC000096491650 473447990 /nfs/dbraw/zinc/44/79/90/473447990.db2.gz ICWUDZDJJLMLLS-CABCVRRESA-N 0 3 325.499 2.867 40 0 EFABHN COC(=O)c1cc(CN[C@@H]2CCCN(c3ccccn3)C2)oc1C ZINC000096493798 473449039 /nfs/dbraw/zinc/44/90/39/473449039.db2.gz BTLWNPKBZOQWAV-CQSZACIVSA-N 0 3 329.400 2.528 40 0 EFABHN C[C@@H](NCCC(=O)N1CCOCC1)c1cc2cc(Cl)ccc2o1 ZINC000096493366 473449750 /nfs/dbraw/zinc/44/97/50/473449750.db2.gz NAAHUFJVSOFOOR-GFCCVEGCSA-N 0 3 336.819 2.986 40 0 EFABHN C[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1)[C@@H](c1ccccc1)N(C)C ZINC000186496149 473681923 /nfs/dbraw/zinc/68/19/23/473681923.db2.gz SSOXHVQFKSTVGN-BEFAXECRSA-N 0 3 349.438 2.689 40 0 EFABHN CCOc1ncccc1CN[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000246847665 473982943 /nfs/dbraw/zinc/98/29/43/473982943.db2.gz CLFIDMRHBRIWGB-APWZRJJASA-N 0 3 340.471 2.876 40 0 EFABHN CNCC(=O)N[C@H](C)c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000195543675 474091065 /nfs/dbraw/zinc/09/10/65/474091065.db2.gz RVKUHKNJLHHJHB-MRVPVSSYSA-N 0 3 327.812 2.999 40 0 EFABHN C[C@@H](C(=O)N1CCC(OC2CCOCC2)CC1)[C@H](N)c1ccccc1 ZINC000195543434 474091229 /nfs/dbraw/zinc/09/12/29/474091229.db2.gz WFXVYEMKVRTUTF-BEFAXECRSA-N 0 3 346.471 2.509 40 0 EFABHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C1=COCC1 ZINC000195547783 474092943 /nfs/dbraw/zinc/09/29/43/474092943.db2.gz IXPXCEWWDKYHOB-QGZVFWFLSA-N 0 3 330.428 2.509 40 0 EFABHN CS[C@H](CN[C@@H]1CCCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000195549811 474093008 /nfs/dbraw/zinc/09/30/08/474093008.db2.gz HZMOYUDQSCWKEE-ZIAGYGMSSA-N 0 3 333.906 2.911 40 0 EFABHN Cc1cc(Cl)c([C@H](C)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC000195557742 474095610 /nfs/dbraw/zinc/09/56/10/474095610.db2.gz NGVMIYHETPZGRM-UONOGXRCSA-N 0 3 344.908 2.889 40 0 EFABHN Fc1cccnc1O[C@H]1Cn2cccc2CN(CC2CCOCC2)C1 ZINC000247550869 474179905 /nfs/dbraw/zinc/17/99/05/474179905.db2.gz VZAGPVSLJJHIEW-QGZVFWFLSA-N 0 3 345.418 2.712 40 0 EFABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccs1 ZINC000223252678 474182467 /nfs/dbraw/zinc/18/24/67/474182467.db2.gz QJDOVPACXUQICN-CABCVRRESA-N 0 3 332.498 2.677 40 0 EFABHN O=C(C[C@@H]1CNCCO1)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000225489202 474218606 /nfs/dbraw/zinc/21/86/06/474218606.db2.gz QKNPOPWZXLKKGV-VQIMIIECSA-N 0 3 342.414 2.604 40 0 EFABHN c1coc(CN2CC[C@H]3OCCN(Cc4cccnc4)[C@@H]3CC2)c1 ZINC000247926117 474227103 /nfs/dbraw/zinc/22/71/03/474227103.db2.gz PNQTYYMGKCOXSE-RTBURBONSA-N 0 3 327.428 2.540 40 0 EFABHN CN(C)CCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000225589707 474227663 /nfs/dbraw/zinc/22/76/63/474227663.db2.gz DUQIMAWFHGOKDD-UHFFFAOYSA-N 0 3 325.623 2.936 40 0 EFABHN CCN1CCN(c2ccccc2CNc2cccc(CO)c2)CC1 ZINC000225601541 474228814 /nfs/dbraw/zinc/22/88/14/474228814.db2.gz WCWGORHWBNHYNG-UHFFFAOYSA-N 0 3 325.456 2.933 40 0 EFABHN O=C(NC1CCN(CCc2ccccc2)CC1)c1ncncc1Cl ZINC000175472483 474229918 /nfs/dbraw/zinc/22/99/18/474229918.db2.gz NIRIRIUNGRQYPM-UHFFFAOYSA-N 0 3 344.846 2.567 40 0 EFABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2ccc(C)cc2)CC1 ZINC000226258547 474240064 /nfs/dbraw/zinc/24/00/64/474240064.db2.gz OLLHJTBQABXKME-UHFFFAOYSA-N 0 3 338.455 2.971 40 0 EFABHN Cc1nc(CN2CCO[C@H]3CCN(Cc4ccoc4)CC[C@H]32)cs1 ZINC000247997418 474242879 /nfs/dbraw/zinc/24/28/79/474242879.db2.gz AQIJKKNHIMJDJT-MSOLQXFVSA-N 0 3 347.484 2.910 40 0 EFABHN COc1ccccc1[C@]1(O)CCC[C@H]2CN(Cc3ccnn3C)C[C@@H]21 ZINC000248025239 474246618 /nfs/dbraw/zinc/24/66/18/474246618.db2.gz JILHQMTWRIDWPC-ZAAXVRCTSA-N 0 3 341.455 2.548 40 0 EFABHN CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(Cc1ccsc1)C2 ZINC000248047969 474251493 /nfs/dbraw/zinc/25/14/93/474251493.db2.gz MTCGWDNPIHAOMY-WMZOPIPTSA-N 0 3 344.484 2.798 40 0 EFABHN COc1ccc(CN(C[C@H]2CCOC2)C[C@H]2CCCO2)c(OC)c1 ZINC000248138221 474265736 /nfs/dbraw/zinc/26/57/36/474265736.db2.gz ODTFRTHVZFTDRK-CRAIPNDOSA-N 0 3 335.444 2.721 40 0 EFABHN CN(C)C[C@H]1CN(C(=O)c2cc3ccccc3s2)Cc2cncn21 ZINC000248138271 474266598 /nfs/dbraw/zinc/26/65/98/474266598.db2.gz SIUKPUFXHINZGM-HNNXBMFYSA-N 0 3 340.452 2.857 40 0 EFABHN CN(Cc1ccco1)Cc1cncc2c1CCN(C[C@H]1CCOC1)C2 ZINC000248149992 474269946 /nfs/dbraw/zinc/26/99/46/474269946.db2.gz XDDLQKUWWCZACQ-MRXNPFEDSA-N 0 3 341.455 2.701 40 0 EFABHN CN(C)CCS[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189064272 474279872 /nfs/dbraw/zinc/27/98/72/474279872.db2.gz PRFDVHZGBAAIJC-HNNXBMFYSA-N 0 3 328.428 2.751 40 0 EFABHN CCn1nccc1CN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248578982 474365293 /nfs/dbraw/zinc/36/52/93/474365293.db2.gz FCAAIRZFWYLOPY-BPUTZDHNSA-N 0 3 334.464 2.638 40 0 EFABHN O=C(Nc1ccc(F)cc1)C1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000189372740 474376098 /nfs/dbraw/zinc/37/60/98/474376098.db2.gz QNSVDGLSSZIJKJ-CQSZACIVSA-N 0 3 348.340 2.790 40 0 EFABHN Cn1ccc(CNC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000240894828 474552183 /nfs/dbraw/zinc/55/21/83/474552183.db2.gz IQFDQTQVCUKZAR-SUMWQHHRSA-N 0 3 336.842 2.995 40 0 EFABHN COC(=O)c1ccc(CNC(=O)CN2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000245265756 474572472 /nfs/dbraw/zinc/57/24/72/474572472.db2.gz HRPBXLQVYZVWKH-WMZOPIPTSA-N 0 3 344.455 2.602 40 0 EFABHN C[C@@H]1CN(Cc2ccccc2)CCCN1C[C@@H](O)CC(F)(F)F ZINC000249507338 474581865 /nfs/dbraw/zinc/58/18/65/474581865.db2.gz YTHGPEYGYJCQAC-ZBFHGGJFSA-N 0 3 330.394 2.896 40 0 EFABHN Cn1cc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(C(F)(F)F)n1 ZINC000252486547 474673127 /nfs/dbraw/zinc/67/31/27/474673127.db2.gz LGMYJLYHTIZIQE-IACUBPJLSA-N 0 3 329.366 2.876 40 0 EFABHN Cc1ccc2[nH]c([C@H]3CCCN([C@H]4CCN(C5CC5)C4=O)C3)nc2c1 ZINC000252486432 474673367 /nfs/dbraw/zinc/67/33/67/474673367.db2.gz JZVVMKUCLPCLNV-KSSFIOAISA-N 0 3 338.455 2.814 40 0 EFABHN Cc1ccc2nc([C@H]3CCCN([C@H]4CCN(C5CC5)C4=O)C3)[nH]c2c1 ZINC000252486432 474673374 /nfs/dbraw/zinc/67/33/74/474673374.db2.gz JZVVMKUCLPCLNV-KSSFIOAISA-N 0 3 338.455 2.814 40 0 EFABHN COC[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252514450 474691470 /nfs/dbraw/zinc/69/14/70/474691470.db2.gz CMCXQBLTVDMMBV-IPMKNSEASA-N 0 3 345.464 2.526 40 0 EFABHN CCN1CC[C@H](NCC(OC)OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000253393098 474733315 /nfs/dbraw/zinc/73/33/15/474733315.db2.gz RJRIQPRBSIDRCB-GOEBONIOSA-N 0 3 330.831 2.823 40 0 EFABHN Brc1cnn(C2CCN(CC3=CCCOC3)CC2)c1 ZINC000253417364 474743325 /nfs/dbraw/zinc/74/33/25/474743325.db2.gz MGNDKYPSZYBIPN-UHFFFAOYSA-N 0 3 326.238 2.629 40 0 EFABHN c1cncc(COCc2cncc3c2CCN(C2CCOCC2)C3)c1 ZINC000306131643 474809852 /nfs/dbraw/zinc/80/98/52/474809852.db2.gz KKYQGRCYMQWYGW-UHFFFAOYSA-N 0 3 339.439 2.731 40 0 EFABHN c1cc2n(n1)C[C@H](CCNc1ncccn1)CN(CC1CCCC1)C2 ZINC000306142908 474811904 /nfs/dbraw/zinc/81/19/04/474811904.db2.gz XNYILMWYHCJOCL-QGZVFWFLSA-N 0 3 340.475 2.797 40 0 EFABHN Cc1cccc(CN2CC[C@@]3(CCC[C@H]3C(=O)N3CC(F)(F)C3)C2)n1 ZINC000306137198 474812496 /nfs/dbraw/zinc/81/24/96/474812496.db2.gz QOLSYEQQKSEEJX-WMZOPIPTSA-N 0 3 349.425 2.860 40 0 EFABHN CC(C)CN1CC[C@H](c2c3nccnc3sc2C(=O)N(C)C)C1 ZINC000257210589 474925470 /nfs/dbraw/zinc/92/54/70/474925470.db2.gz BVGYULSEHHKQNZ-LBPRGKRZSA-N 0 3 332.473 2.838 40 0 EFABHN COc1ccc(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)c2ccccc12 ZINC000257278891 474927505 /nfs/dbraw/zinc/92/75/05/474927505.db2.gz OECHLVHYBHOOPY-PMACEKPBSA-N 0 3 327.424 2.964 40 0 EFABHN c1c[nH]c(-c2cncc(C[C@@H]3CCCN(Cc4cncs4)C3)n2)n1 ZINC000257281245 474930396 /nfs/dbraw/zinc/93/03/96/474930396.db2.gz OOHKNLROSMRDBT-ZDUSSCGKSA-N 0 3 340.456 2.778 40 0 EFABHN Cc1cc(C[C@H]2CCC[C@@H]3CN(Cc4nccn4C)C[C@@H]32)ncn1 ZINC000257288722 474934069 /nfs/dbraw/zinc/93/40/69/474934069.db2.gz PVHXAXXFWHZKKF-JFIYKMOQSA-N 0 3 325.460 2.609 40 0 EFABHN Cc1nc(-c2cncnc2[C@H]2CCCN(Cc3ccccn3)C2)no1 ZINC000257298094 474937635 /nfs/dbraw/zinc/93/76/35/474937635.db2.gz RKCPNFQYERUDRM-AWEZNQCLSA-N 0 3 336.399 2.610 40 0 EFABHN O[C@]1(COc2ccccc2)CCCN(Cc2ccc3[nH]cnc3c2)C1 ZINC000257295733 474938030 /nfs/dbraw/zinc/93/80/30/474938030.db2.gz QZQBMPBENKBVGS-HXUWFJFHSA-N 0 3 337.423 2.969 40 0 EFABHN O[C@]1(COc2ccccc2)CCCN(Cc2ccc3nc[nH]c3c2)C1 ZINC000257295733 474938038 /nfs/dbraw/zinc/93/80/38/474938038.db2.gz QZQBMPBENKBVGS-HXUWFJFHSA-N 0 3 337.423 2.969 40 0 EFABHN Cc1cccc(CN2CCOC[C@@H](Cc3ccc4n[nH]cc4c3)C2)n1 ZINC000257296248 474938993 /nfs/dbraw/zinc/93/89/93/474938993.db2.gz RBXCFFJZLGWZOU-KRWDZBQOSA-N 0 3 336.439 2.957 40 0 EFABHN NCc1cn(-c2ccccc2C(=O)N2CCc3ccccc3C2)cn1 ZINC000257299037 474941156 /nfs/dbraw/zinc/94/11/56/474941156.db2.gz ROKRARXXAGBPCZ-UHFFFAOYSA-N 0 3 332.407 2.530 40 0 EFABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NC2CCOCC2)c1 ZINC000257303522 474942247 /nfs/dbraw/zinc/94/22/47/474942247.db2.gz SHOTWKRQHQIEIM-UHFFFAOYSA-N 0 3 339.439 2.719 40 0 EFABHN Cc1c[nH]c(-c2nccnc2[C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000257326799 474955417 /nfs/dbraw/zinc/95/54/17/474955417.db2.gz WYPVDPOTVJYVCE-INIZCTEOSA-N 0 3 334.427 2.950 40 0 EFABHN CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(Cc3[nH]cnc3C)CC[C@H]21 ZINC000257331444 474960141 /nfs/dbraw/zinc/96/01/41/474960141.db2.gz XSWIZBFRDSSUAH-QWFCFKBJSA-N 0 3 338.455 2.555 40 0 EFABHN Cc1cnc(N(C)[C@@H]2CC[C@@H]3CN(Cc4cncs4)C[C@H]23)cn1 ZINC000257338161 474964370 /nfs/dbraw/zinc/96/43/70/474964370.db2.gz YWFFEALDBJVVJM-VNQPRFMTSA-N 0 3 329.473 2.588 40 0 EFABHN CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(C3CCC3)C[C@H]21 ZINC000514288651 479020250 /nfs/dbraw/zinc/02/02/50/479020250.db2.gz MJCMXBIETUQVNZ-HIFRSBDPSA-N 0 3 340.345 2.775 40 0 biogenic,in-vitro EFABHN CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(CC3CC3)C[C@H]21 ZINC000514289795 479022635 /nfs/dbraw/zinc/02/26/35/479022635.db2.gz ORRKSYVBCUHDNN-QUCCMNQESA-N 0 3 349.434 2.676 40 0 biogenic,in-vitro EFABHN O=C1CC[C@H](NCc2ccsc2C(F)(F)F)[C@@H]([C@@H]2CCCO2)N1 ZINC000529574788 479211000 /nfs/dbraw/zinc/21/10/00/479211000.db2.gz WUWNKTKBCDBFJW-GVXVVHGQSA-N 0 3 348.390 2.683 40 0 EFABHN C[C@H]1Cc2nnc(COc3ncccc3F)n2CCN1C1CCCC1 ZINC000585098177 479280738 /nfs/dbraw/zinc/28/07/38/479280738.db2.gz QTRRBFIFGPDMAC-ZDUSSCGKSA-N 0 3 345.422 2.580 40 0 EFABHN C[C@H]1Cc2nnc(COc3cncc(Cl)c3)n2CCN1C1CCC1 ZINC000585097514 479281317 /nfs/dbraw/zinc/28/13/17/479281317.db2.gz KVQYZEPADMHJAO-LBPRGKRZSA-N 0 3 347.850 2.705 40 0 EFABHN CCOCc1nnc2n1CCN(Cc1cccc3[nH]ccc31)[C@@H](C)C2 ZINC000585097113 479281330 /nfs/dbraw/zinc/28/13/30/479281330.db2.gz FWJUPKYYTLYILF-AWEZNQCLSA-N 0 3 339.443 2.743 40 0 EFABHN Cc1ncc(CN2CCC[C@@]3(CN(Cc4cncs4)C3=O)C2)s1 ZINC000585099414 479282560 /nfs/dbraw/zinc/28/25/60/479282560.db2.gz ISXQCRQVGFATDM-INIZCTEOSA-N 0 3 348.497 2.533 40 0 EFABHN O=C1N(Cc2cncs2)C[C@@]12CCCN(CC1CC(F)(F)C1)C2 ZINC000585099703 479283470 /nfs/dbraw/zinc/28/34/70/479283470.db2.gz YTFXQPOCQWWYJF-HNNXBMFYSA-N 0 3 341.427 2.613 40 0 EFABHN CC(C)CN1C[C@@]2(CC1=O)COCCN([C@@H](C)c1ccccc1)C2 ZINC000585103728 479284065 /nfs/dbraw/zinc/28/40/65/479284065.db2.gz FNYXVIYOFPNUEI-PXNSSMCTSA-N 0 3 330.472 2.955 40 0 EFABHN CN1CC[C@@H](COCc2ccncc2)CC12CN(CC1CCC1)C2 ZINC000585102664 479284287 /nfs/dbraw/zinc/28/42/87/479284287.db2.gz FFZPIUZWMAYPRI-LJQANCHMSA-N 0 3 329.488 2.795 40 0 EFABHN CC(C)CN1C[C@@]2(CC1=O)COCCN([C@H](C)c1ccccc1)C2 ZINC000585103729 479284457 /nfs/dbraw/zinc/28/44/57/479284457.db2.gz FNYXVIYOFPNUEI-XLIONFOSSA-N 0 3 330.472 2.955 40 0 EFABHN Fc1cccnc1O[C@@H]1CSC2(CN(CC3CCOCC3)C2)C1 ZINC000585105194 479285979 /nfs/dbraw/zinc/28/59/79/479285979.db2.gz PXNURGKEDXSTBR-AWEZNQCLSA-N 0 3 338.448 2.586 40 0 EFABHN Cc1ccccc1CN1CCOC[C@]2(CC(=O)N(CC(C)C)C2)C1 ZINC000585104361 479286315 /nfs/dbraw/zinc/28/63/15/479286315.db2.gz LCMDMFXSHBOPAJ-HXUWFJFHSA-N 0 3 330.472 2.702 40 0 EFABHN COC(=O)c1ccc(CN[C@H](C)[C@@H](c2ccccc2)N(C)C)n1C ZINC000585141089 479298540 /nfs/dbraw/zinc/29/85/40/479298540.db2.gz PGQMVGOBDUMILU-KDOFPFPSSA-N 0 3 329.444 2.593 40 0 EFABHN CN1CCN(Cc2c[nH]cn2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000585182504 479303009 /nfs/dbraw/zinc/30/30/09/479303009.db2.gz NYQTWIJLNUQBEA-INIZCTEOSA-N 0 3 335.455 2.564 40 0 EFABHN COCCOc1cc(CN(C)C[C@H](O)c2ccccc2)ccc1OC ZINC000585270378 479304083 /nfs/dbraw/zinc/30/40/83/479304083.db2.gz VPTOKBBZWMZDFV-SFHVURJKSA-N 0 3 345.439 2.886 40 0 EFABHN Cc1cc(C)c(C)c(OC[C@]2(O)COCCN(C3CCCC3)C2)c1 ZINC000585281599 479308252 /nfs/dbraw/zinc/30/82/52/479308252.db2.gz MKTOZBMBSMBPBN-HXUWFJFHSA-N 0 3 333.472 2.997 40 0 EFABHN CCCn1cc(CNC[C@H]2CC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)cn1 ZINC000585286062 479309168 /nfs/dbraw/zinc/30/91/68/479309168.db2.gz ILWREXCQLHZLEL-ATZDWAIDSA-N 0 3 347.434 2.740 40 0 EFABHN Cc1noc(C)c1CNC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585287207 479309286 /nfs/dbraw/zinc/30/92/86/479309286.db2.gz UNEKNBDJGRONND-FSPWUOQZSA-N 0 3 334.391 2.739 40 0 EFABHN Cc1n[nH]cc1CNC[C@H]1CCC[C@@H](Oc2ccc(C)cc2)[C@@H]1O ZINC000585287357 479309494 /nfs/dbraw/zinc/30/94/94/479309494.db2.gz YPIVQSVCCIGVJP-ATZDWAIDSA-N 0 3 329.444 2.725 40 0 EFABHN Cc1ccccc1O[C@@H]1CCC[C@H](N2CCN(C(C)C)CC2)[C@H]1O ZINC000585289996 479310740 /nfs/dbraw/zinc/31/07/40/479310740.db2.gz YVDBRIJHSJRCIJ-DFQSSKMNSA-N 0 3 332.488 2.682 40 0 EFABHN CCOc1ccc(CN2C[C@H](c3ccccc3C)[C@@H](O)[C@H]2CO)cc1 ZINC000585293994 479311107 /nfs/dbraw/zinc/31/11/07/479311107.db2.gz CNIOYEKEBKOKEL-NJDAHSKKSA-N 0 3 341.451 2.715 40 0 EFABHN CC(C)OC1CCC(NC(=O)N(C)CC2(N(C)C)CCC2)CC1 ZINC000187332023 527885652 /nfs/dbraw/zinc/88/56/52/527885652.db2.gz XMKQJQAEHOWFLT-UHFFFAOYSA-N 0 3 325.497 2.848 40 0 EFABHN CN(C)CCN(C)c1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1 ZINC000199799513 535854997 /nfs/dbraw/zinc/85/49/97/535854997.db2.gz UXQVQGRMWDNCMN-UHFFFAOYSA-N 0 3 342.781 2.545 40 0 EFABHN CN(C)Cc1cnc([C@@H]2CCN(C(=O)c3cccc(Cl)c3)C2)[nH]1 ZINC000257238711 536058930 /nfs/dbraw/zinc/05/89/30/536058930.db2.gz HMEULUBOYHDKOQ-CYBMUJFWSA-N 0 3 332.835 2.754 40 0 EFABHN CN(C)C[C@@H]1CSCCCN1C(=O)c1ccc(Br)o1 ZINC000090608904 282128835 /nfs/dbraw/zinc/12/88/35/282128835.db2.gz ZWAFRWYGELTSPG-SNVBAGLBSA-N 0 3 347.278 2.551 40 0 EFABHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC000067206437 282228313 /nfs/dbraw/zinc/22/83/13/282228313.db2.gz FTLHQZXSMRVUGH-OAHLLOKOSA-N 0 3 340.471 2.851 40 0 EFABHN COc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)N2Cc2cnn(C)c2)cc1 ZINC000012408128 201844784 /nfs/dbraw/zinc/84/47/84/201844784.db2.gz VXGSXMCODLSMLB-FCEWJHQRSA-N 0 3 327.428 2.861 40 0 EFABHN COc1c(C)cccc1CN1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019236001 202001023 /nfs/dbraw/zinc/00/10/23/202001023.db2.gz AZHHWFCDSFFWRR-SFHVURJKSA-N 0 3 338.455 2.776 40 0 EFABHN Cc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)s1 ZINC000019217257 202001181 /nfs/dbraw/zinc/00/11/81/202001181.db2.gz BISIZDJDHNJZBH-GBESFXJTSA-N 0 3 342.508 2.919 40 0 EFABHN COc1cccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)c1 ZINC000019291395 202002070 /nfs/dbraw/zinc/00/20/70/202002070.db2.gz KGZMVCMNMYCUAM-XEWABKELSA-N 0 3 341.455 2.548 40 0 EFABHN O=C(CCC1CCCC1)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019292302 202002851 /nfs/dbraw/zinc/00/28/51/202002851.db2.gz YCDPYPQBYULDJF-INIZCTEOSA-N 0 3 342.487 2.799 40 0 EFABHN Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(OC(C)C)cc3)C2)cc(=O)[n-]1 ZINC000019285246 202003086 /nfs/dbraw/zinc/00/30/86/202003086.db2.gz SNWYSCRLSBXFFJ-MRXNPFEDSA-N 0 3 327.428 2.855 40 0 EFABHN Cc1nc([C@@H]2CC[N@H+](Cc3ccc(OC(C)C)cc3)C2)cc(=O)[n-]1 ZINC000019285246 202003089 /nfs/dbraw/zinc/00/30/89/202003089.db2.gz SNWYSCRLSBXFFJ-MRXNPFEDSA-N 0 3 327.428 2.855 40 0 EFABHN O=C(CCC1CCCC1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019292348 202003335 /nfs/dbraw/zinc/00/33/35/202003335.db2.gz KMBNQJDLHVMUNQ-KRWDZBQOSA-N 0 3 328.460 2.756 40 0 EFABHN NCC(=O)N1[C@@H]2CC[C@H]1Cc1nc(C3CC3)nc(Nc3ccccc3)c12 ZINC000019373009 202007924 /nfs/dbraw/zinc/00/79/24/202007924.db2.gz JQLIUIXDRJOVPP-GOEBONIOSA-N 0 3 349.438 2.645 40 0 EFABHN COc1ccccc1C[N@@H+]1CCC[C@@H](c2nc(C)c(C)c(=O)[n-]2)C1 ZINC000019555416 202011690 /nfs/dbraw/zinc/01/16/90/202011690.db2.gz UDLXPAQTRWQGLT-MRXNPFEDSA-N 0 3 327.428 2.775 40 0 EFABHN COc1ccccc1C[N@H+]1CCC[C@@H](c2nc(C)c(C)c(=O)[n-]2)C1 ZINC000019555416 202011693 /nfs/dbraw/zinc/01/16/93/202011693.db2.gz UDLXPAQTRWQGLT-MRXNPFEDSA-N 0 3 327.428 2.775 40 0 EFABHN CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019591930 202012361 /nfs/dbraw/zinc/01/23/61/202012361.db2.gz XITTYVVJNZFZCY-QZTJIDSGSA-N 0 3 340.398 2.503 40 0 EFABHN COc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(C)n3)C2)c(C)c1C ZINC000019577276 202013469 /nfs/dbraw/zinc/01/34/69/202013469.db2.gz ANTKICJGFGMMLM-INIZCTEOSA-N 0 3 327.428 2.693 40 0 EFABHN COc1ccc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(C)n3)C2)c(C)c1C ZINC000019577276 202013473 /nfs/dbraw/zinc/01/34/73/202013473.db2.gz ANTKICJGFGMMLM-INIZCTEOSA-N 0 3 327.428 2.693 40 0 EFABHN CN1CCc2nc([C@@H]3CCCN3C(=O)C3CCCCC3)ncc2C1 ZINC000019590496 202013822 /nfs/dbraw/zinc/01/38/22/202013822.db2.gz OWNMTGYKSWQOMF-KRWDZBQOSA-N 0 3 328.460 2.708 40 0 EFABHN Fc1cnc(N2CCOC3(CCN(Cc4cccs4)CC3)C2)nc1 ZINC000096049004 283035107 /nfs/dbraw/zinc/03/51/07/283035107.db2.gz OELFZWTYRZXUFO-UHFFFAOYSA-N 0 3 348.447 2.549 40 0 EFABHN CC(C)(C)OC(=O)N1CCN([C@@H](CN)c2ccc(Cl)cc2)CC1 ZINC000020179270 202035683 /nfs/dbraw/zinc/03/56/83/202035683.db2.gz ZDRIFGCXKYIGRW-HNNXBMFYSA-N 0 3 339.867 2.893 40 0 EFABHN CC(C)CNC1(Cc2cc(CN(C)Cc3ccccc3)on2)COC1 ZINC000067898122 202038884 /nfs/dbraw/zinc/03/88/84/202038884.db2.gz WLZBDWQZNUXZGX-UHFFFAOYSA-N 0 3 343.471 2.864 40 0 biogenic,in-vitro EFABHN CCN1CCC[C@H]1CNCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000022029793 202078012 /nfs/dbraw/zinc/07/80/12/202078012.db2.gz VHZCEHVYTHWFHP-ZDUSSCGKSA-N 0 3 345.365 2.598 40 0 EFABHN COc1cccc(OC)c1CN(CCN(C)C)Cc1ccncc1 ZINC000022913759 202095833 /nfs/dbraw/zinc/09/58/33/202095833.db2.gz KVWKGEKYMAVZDT-UHFFFAOYSA-N 0 3 329.444 2.663 40 0 EFABHN CN(C)CCN(Cc1cncn1Cc1ccccc1)Cc1ccccn1 ZINC000022913579 202095850 /nfs/dbraw/zinc/09/58/50/202095850.db2.gz VHRKVLCLVBVJNV-UHFFFAOYSA-N 0 3 349.482 2.890 40 0 EFABHN O=S(=O)(NCc1ccccc1CN1CCCC1)c1ccc(F)cc1 ZINC000031075286 202202597 /nfs/dbraw/zinc/20/25/97/202202597.db2.gz KOJNUBZZAHMIJP-UHFFFAOYSA-N 0 3 348.443 2.900 40 0 EFABHN COc1ccccc1[C@]1(O)CCCN(C[C@H](O)c2ccc(F)cc2)C1 ZINC000036741287 202331047 /nfs/dbraw/zinc/33/10/47/202331047.db2.gz IEXJXWCUJQTYAV-ICSRJNTNSA-N 0 3 345.414 2.851 40 0 EFABHN CCOC(=O)N(C)C1CCN(CCc2ccc3c(c2)CCO3)CC1 ZINC000075685123 202382056 /nfs/dbraw/zinc/38/20/56/202382056.db2.gz NVTJJOGDNLXSDQ-UHFFFAOYSA-N 0 3 332.444 2.717 40 0 EFABHN NC(=O)CC1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000075638773 202382641 /nfs/dbraw/zinc/38/26/41/202382641.db2.gz VHJZZUUSBALUPG-UHFFFAOYSA-N 0 3 330.350 2.715 40 0 EFABHN NC(=O)C[C@H]1CCCCN1Cc1ccccc1OCC(F)(F)F ZINC000075714698 202382855 /nfs/dbraw/zinc/38/28/55/202382855.db2.gz YYMWIOAPRCKAOB-CYBMUJFWSA-N 0 3 330.350 2.858 40 0 EFABHN Cc1cc(CC(=O)NCC2CCN(Cc3ccccc3F)CC2)no1 ZINC000073457596 202370097 /nfs/dbraw/zinc/37/00/97/202370097.db2.gz BXZHMVWPVYPMPP-UHFFFAOYSA-N 0 3 345.418 2.693 40 0 EFABHN CC[C@H]1c2ccccc2CCN1C(=O)CCN1CCN(CC)CC1 ZINC000073678760 202370940 /nfs/dbraw/zinc/37/09/40/202370940.db2.gz ZJVWMGYQYIOMGK-IBGZPJMESA-N 0 3 329.488 2.550 40 0 EFABHN CC(=O)Nc1cccc(OCCNCc2cccc3c2OCCO3)c1 ZINC000078552565 202396133 /nfs/dbraw/zinc/39/61/33/202396133.db2.gz SASJHLRJSGFJHN-UHFFFAOYSA-N 0 3 342.395 2.585 40 0 EFABHN Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H]2CCN(CC3CC3)C2)s1 ZINC000076981448 202388464 /nfs/dbraw/zinc/38/84/64/202388464.db2.gz OEZHILIETPXKMN-IUODEOHRSA-N 0 3 336.505 2.947 40 0 EFABHN C[C@@H](Cc1ccc(Br)cc1)NC[C@@H]1CCCS1(=O)=O ZINC000225631398 201035761 /nfs/dbraw/zinc/03/57/61/201035761.db2.gz WSPXGECMPKPNEP-FZMZJTMJSA-N 0 3 346.290 2.547 40 0 EFABHN CCc1oc2ccccc2c1CN(C)C(=O)[C@H](N)C1CCOCC1 ZINC000261886122 201199373 /nfs/dbraw/zinc/19/93/73/201199373.db2.gz VBVYSXYOZZZMTQ-GOSISDBHSA-N 0 3 330.428 2.708 40 0 EFABHN CC[C@@](C)(COc1ncccc1Cl)NC(=O)C1CCN(C)CC1 ZINC000154406062 201395632 /nfs/dbraw/zinc/39/56/32/201395632.db2.gz JEYHNORMWGHHNV-KRWDZBQOSA-N 0 3 339.867 2.741 40 0 EFABHN CC1(C)[C@H](N[C@@H]2CCN(c3ccccc3Cl)C2=O)[C@H]2CCO[C@@H]21 ZINC000153607864 201394649 /nfs/dbraw/zinc/39/46/49/201394649.db2.gz RQZNFBLJHSWOJI-CUBALJKWSA-N 0 3 334.847 2.848 40 0 EFABHN Cc1n[nH]c(C)c1NC(=O)CN[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000191889651 239366320 /nfs/dbraw/zinc/36/63/20/239366320.db2.gz AEGSOODPJZHOGF-SJORKVTESA-N 0 3 326.444 2.966 40 0 EFABHN Cc1cc2c(cc1CN(CCN(C)C)Cc1cccnc1)OCO2 ZINC000022931624 212335859 /nfs/dbraw/zinc/33/58/59/212335859.db2.gz VVTHLNRUVVFQAJ-UHFFFAOYSA-N 0 3 327.428 2.683 40 0 EFABHN Cc1cc2cc(CNCCN3CCOCC3)c(Cl)nc2cc1C ZINC000022930572 212335696 /nfs/dbraw/zinc/33/56/96/212335696.db2.gz KPTRFJGCCNANBH-UHFFFAOYSA-N 0 3 333.863 2.927 40 0 EFABHN Cc1ccc(CN2CCCN(Cc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000022832022 212326861 /nfs/dbraw/zinc/32/68/61/212326861.db2.gz HKKATMXDCMOYPH-UHFFFAOYSA-N 0 3 337.467 2.802 40 0 EFABHN CCc1ncc(NC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000193852547 240335492 /nfs/dbraw/zinc/33/54/92/240335492.db2.gz OVQFRQYAYDHEOO-INIZCTEOSA-N 0 3 339.443 2.683 40 0 EFABHN CNc1cc(C)nc([C@H]2CCN(C(=O)CCc3c(C)noc3C)C2)c1 ZINC000257341158 240313792 /nfs/dbraw/zinc/31/37/92/240313792.db2.gz ZJBOUIYLUDHXII-HNNXBMFYSA-N 0 3 342.443 2.985 40 0 EFABHN CCNC(=O)c1cccc(CN[C@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000194002109 240395113 /nfs/dbraw/zinc/39/51/13/240395113.db2.gz SJDDENZCGHYWQP-FGTMMUONSA-N 0 3 328.456 2.874 40 0 EFABHN CN(C)[C@@H]1CCCN(C(=O)NCCc2ccccc2OC(F)F)C1 ZINC000195577835 241024295 /nfs/dbraw/zinc/02/42/95/241024295.db2.gz XCDWWROYWGUQCP-CQSZACIVSA-N 0 3 341.402 2.566 40 0 EFABHN COc1ccc(CN2CCC(C(=O)NC(C)(C)C)CC2)cc1OC ZINC000000299612 201458164 /nfs/dbraw/zinc/45/81/64/201458164.db2.gz ASJJYZYSDSIDFE-UHFFFAOYSA-N 0 3 334.460 2.831 40 0 EFABHN Cc1ncsc1CN(C)C[C@@H]1CCN([C@H](C)c2cnccn2)C1 ZINC000225718864 242002781 /nfs/dbraw/zinc/00/27/81/242002781.db2.gz WBYZORUJUFCYPI-CABCVRRESA-N 0 3 331.489 2.756 40 0 EFABHN COc1ccccc1[C@H]1CCC[C@@H](C)N1C[C@@H](O)CN1CCCC1=O ZINC000241775892 243001226 /nfs/dbraw/zinc/00/12/26/243001226.db2.gz RPZLUEYMCCULTN-SOLBZPMBSA-N 0 3 346.471 2.594 40 0 EFABHN CC(C)Oc1ccc(C(=O)N2CCCSC[C@H]2CN(C)C)cc1 ZINC000090699827 203005213 /nfs/dbraw/zinc/00/52/13/203005213.db2.gz RSLAXBPUUQYOHD-MRXNPFEDSA-N 0 3 336.501 2.983 40 0 EFABHN c1cc2n(n1)C[C@H](OCc1ccncc1)CN(CC1CCCC1)C2 ZINC000253588544 244026997 /nfs/dbraw/zinc/02/69/97/244026997.db2.gz HFJISJMGGRHTOT-LJQANCHMSA-N 0 3 326.444 2.869 40 0 EFABHN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC2CCSCC2)C1 ZINC000092160967 203078807 /nfs/dbraw/zinc/07/88/07/203078807.db2.gz LUHUZKCCHGYWJR-OAHLLOKOSA-N 0 3 333.501 2.691 40 0 EFABHN CCn1cc(CN2CCC[C@@H]2c2nc(C)ncc2CN(C)C)c(C)n1 ZINC000257217943 244174578 /nfs/dbraw/zinc/17/45/78/244174578.db2.gz DBFNQPMEDVOOIN-GOSISDBHSA-N 0 3 342.491 2.709 40 0 EFABHN Cc1cc(C(F)F)n(CC(=O)N2CCC[C@@H]3N(C)CCC[C@@]32C)n1 ZINC000257207823 244140987 /nfs/dbraw/zinc/14/09/87/244140987.db2.gz BJLGRWFKZJGXHZ-YOEHRIQHSA-N 0 3 340.418 2.604 40 0 EFABHN Cc1csc(Nc2cccc(CC3CCN(CCO)CC3)n2)n1 ZINC000257209825 244145218 /nfs/dbraw/zinc/14/52/18/244145218.db2.gz BSADYRNBFWNMQQ-UHFFFAOYSA-N 0 3 332.473 2.837 40 0 EFABHN OCCOc1cccc(CN2CCC[C@H](Cc3cccnc3)C2)c1 ZINC000257210871 244149345 /nfs/dbraw/zinc/14/93/45/244149345.db2.gz BWMQKOICGGFOJX-GOSISDBHSA-N 0 3 326.440 2.907 40 0 EFABHN Cc1cc(-c2nccn2C)nc([C@@H]2CCN(Cc3cccnc3)C2)n1 ZINC000257211196 244149587 /nfs/dbraw/zinc/14/95/87/244149587.db2.gz BXWAXMIICHGLME-MRXNPFEDSA-N 0 3 334.427 2.570 40 0 EFABHN Cn1cncc1CN1CCN(C)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257222647 244187320 /nfs/dbraw/zinc/18/73/20/244187320.db2.gz DUEHPGXCKLVJED-KRWDZBQOSA-N 0 3 349.482 2.575 40 0 EFABHN CCc1cc(C[C@@H]2CCCN(CC(=O)NC)CC2)c2cnccc2n1 ZINC000257222448 244189522 /nfs/dbraw/zinc/18/95/22/244189522.db2.gz DTIYCXLKCNYNLT-OAHLLOKOSA-N 0 3 340.471 2.583 40 0 EFABHN CNC(=O)[C@@H]1CCCN(Cc2ccccc2OCc2ccccn2)C1 ZINC000093360814 203185090 /nfs/dbraw/zinc/18/50/90/203185090.db2.gz FSVIGSSOAACHJS-QGZVFWFLSA-N 0 3 339.439 2.619 40 0 EFABHN CC(C)(N)C(=O)N1CCC[C@H]1c1cncc(Oc2ccc(F)cc2)n1 ZINC000072384391 203210743 /nfs/dbraw/zinc/21/07/43/203210743.db2.gz ACKGNGQNOTZINI-HNNXBMFYSA-N 0 3 344.390 2.809 40 0 EFABHN CC(C)(N)C(=O)N1CCC[C@H]1c1cncc(Oc2ccccc2)n1 ZINC000072384393 203211124 /nfs/dbraw/zinc/21/11/24/203211124.db2.gz FSIUGCKYGJDXQQ-HNNXBMFYSA-N 0 3 326.400 2.670 40 0 EFABHN CCc1[nH]nc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)N3C)c1C ZINC000257237283 244233308 /nfs/dbraw/zinc/23/33/08/244233308.db2.gz HFVWHIUKWOQLFJ-AMVTXUCVSA-N 0 3 330.476 2.758 40 0 EFABHN CCc1nccn1-c1nccnc1[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000072350567 203204247 /nfs/dbraw/zinc/20/42/47/203204247.db2.gz VUAQAYPUXALVGN-MRXNPFEDSA-N 0 3 348.454 2.999 40 0 EFABHN Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN2C2CCOCC2)n1 ZINC000072360361 203204926 /nfs/dbraw/zinc/20/49/26/203204926.db2.gz PXVQTDXPOATXCT-INIZCTEOSA-N 0 3 340.431 2.635 40 0 EFABHN CNCC(=O)N1CCC[C@H](c2cncc(Oc3cccc(C)c3)n2)C1 ZINC000072363312 203206758 /nfs/dbraw/zinc/20/67/58/203206758.db2.gz CZGOFIYJFGIPGZ-HNNXBMFYSA-N 0 3 340.427 2.503 40 0 EFABHN Cc1noc(C)c1-c1cc(C[C@@H]2CCN(Cc3cnc[nH]3)C2)ncn1 ZINC000257247029 244260595 /nfs/dbraw/zinc/26/05/95/244260595.db2.gz IXBVPMYUJVTCEN-AWEZNQCLSA-N 0 3 338.415 2.536 40 0 EFABHN O=c1cc([C@H]2CCC[N@H+](Cc3cccnc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392916 203213537 /nfs/dbraw/zinc/21/35/37/203213537.db2.gz VTEXRHLRWGMJFA-KRWDZBQOSA-N 0 3 347.422 2.607 40 0 EFABHN O=c1cc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392916 203213541 /nfs/dbraw/zinc/21/35/41/203213541.db2.gz VTEXRHLRWGMJFA-KRWDZBQOSA-N 0 3 347.422 2.607 40 0 EFABHN CCn1cc(C(=O)N2CC[C@H](c3cc(NC)cc(C)n3)C2)c(C)n1 ZINC000257261428 244349790 /nfs/dbraw/zinc/34/97/90/244349790.db2.gz LHGSKCLELRJZKU-AWEZNQCLSA-N 0 3 327.432 2.586 40 0 EFABHN Cc1cc(N)cc([C@@H]2CN(C(=O)CCc3cccs3)CCO2)n1 ZINC000257263940 244354992 /nfs/dbraw/zinc/35/49/92/244354992.db2.gz LSDPQMDGQYEWGS-INIZCTEOSA-N 0 3 331.441 2.566 40 0 EFABHN Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000257265336 244358686 /nfs/dbraw/zinc/35/86/86/244358686.db2.gz LYGXNVGGHHZBCC-OAHLLOKOSA-N 0 3 334.427 2.950 40 0 EFABHN Cc1ccc(CN2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cn1 ZINC000257272298 244381962 /nfs/dbraw/zinc/38/19/62/244381962.db2.gz NBWHRNNFKKMVCB-QGZVFWFLSA-N 0 3 334.427 2.745 40 0 EFABHN Cn1cccc1C(=O)N1CCC[C@@H]1c1cccc(CN2CCCC2)n1 ZINC000257323664 244528247 /nfs/dbraw/zinc/52/82/47/244528247.db2.gz WLHJZBQKJWEKTP-GOSISDBHSA-N 0 3 338.455 2.993 40 0 EFABHN c1cncc(CN2CCC3(C[C@@H](OCC4CCOCC4)CO3)CC2)c1 ZINC000096106691 203834944 /nfs/dbraw/zinc/83/49/44/203834944.db2.gz JHNMBTWXQRIAHG-LJQANCHMSA-N 0 3 346.471 2.648 40 0 EFABHN O=C(c1cccnc1)N1CCC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096046570 203804912 /nfs/dbraw/zinc/80/49/12/203804912.db2.gz MCWPBFXISKRFFS-UHFFFAOYSA-N 0 3 336.439 2.605 40 0 EFABHN Cc1cccc(CN2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)n1 ZINC000096224524 203875679 /nfs/dbraw/zinc/87/56/79/203875679.db2.gz FUSXUWQQOPAMDV-FQEVSTJZSA-N 0 3 336.439 2.804 40 0 EFABHN c1csc(CN2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)c1 ZINC000107730800 204245350 /nfs/dbraw/zinc/24/53/50/204245350.db2.gz GYXAQIDRUQQLRO-RHSMWYFYSA-N 0 3 330.457 2.774 40 0 EFABHN Cc1ncsc1CN1CCC2(CC(NC(=O)c3cscn3)C2)C1 ZINC000108525041 204265134 /nfs/dbraw/zinc/26/51/34/204265134.db2.gz ZOHLQZWJORVQGB-UHFFFAOYSA-N 0 3 348.497 2.693 40 0 EFABHN O=C([C@H]1CCC[C@]12CCN(Cc1ccccc1F)C2)N1CCOCC1 ZINC000108527998 204265572 /nfs/dbraw/zinc/26/55/72/204265572.db2.gz MHQKNBGFFWMCAK-YLJYHZDGSA-N 0 3 346.446 2.677 40 0 EFABHN COCCN1CC[C@]2(CCCN(Cc3cccc(F)c3C)CC2)C1=O ZINC000108525171 204266499 /nfs/dbraw/zinc/26/64/99/204266499.db2.gz HRLGFJBIPWBGQQ-HXUWFJFHSA-N 0 3 348.462 2.985 40 0 EFABHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000044889918 204309506 /nfs/dbraw/zinc/30/95/06/204309506.db2.gz QRHFJKHGFIPJSN-SFHVURJKSA-N 0 3 349.434 2.576 40 0 EFABHN CN(C)Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccn3)C2)cc1 ZINC000155498900 206012359 /nfs/dbraw/zinc/01/23/59/206012359.db2.gz YXHFAUNOLWEAIU-GOSISDBHSA-N 0 3 338.455 2.542 40 0 EFABHN Cc1nn(C)cc1CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000091856122 218076767 /nfs/dbraw/zinc/07/67/67/218076767.db2.gz WOEMIQJUIFOVNN-CYBMUJFWSA-N 0 3 347.850 2.628 40 0 EFABHN CN(CCC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1 ZINC000010051220 211144248 /nfs/dbraw/zinc/14/42/48/211144248.db2.gz YDPIQYTZCXDZFZ-UHFFFAOYSA-N 0 3 325.412 2.535 40 0 EFABHN Cc1cccc(N2CCN(CCN[C@@H](C)c3cnccn3)CC2)c1C ZINC000095422173 218364280 /nfs/dbraw/zinc/36/42/80/218364280.db2.gz JXNXUFOSXJGDPL-SFHVURJKSA-N 0 3 339.487 2.566 40 0 EFABHN O=C1NC2(C[C@H]1c1ccncc1)CCN(Cc1ccc(F)cc1)CC2 ZINC000096061403 284873663 /nfs/dbraw/zinc/87/36/63/284873663.db2.gz SBEGMQAREYLXRH-SFHVURJKSA-N 0 3 339.414 2.859 40 0 EFABHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ncncc1Cl ZINC000177656727 207369808 /nfs/dbraw/zinc/36/98/08/207369808.db2.gz ILMMFDIHKIDILD-HNNXBMFYSA-N 0 3 344.846 2.724 40 0 EFABHN Brc1ccc(-c2ccc3nnc([C@H]4CCCN4)n3n2)cc1 ZINC000217556899 532958623 /nfs/dbraw/zinc/95/86/23/532958623.db2.gz FEWGSTKAEWMHLW-CYBMUJFWSA-N 0 3 344.216 2.978 40 0 EFABHN COCCN1CCC2(CC1)C[C@@H](NC(=O)C(C)C)c1ccccc1O2 ZINC000096242757 285014155 /nfs/dbraw/zinc/01/41/55/285014155.db2.gz LIBOQYXAXITUGW-QGZVFWFLSA-N 0 3 346.471 2.763 40 0 EFABHN CC[C@@H](N[C@@H](C)c1ccc(-n2cnnn2)cc1)c1c(C)nn(C)c1C ZINC000096478759 218854899 /nfs/dbraw/zinc/85/48/99/218854899.db2.gz MRWPCYJNPIGPPW-YVEFUNNKSA-N 0 3 339.447 2.815 40 0 EFABHN COC(=O)c1cc(CN[C@H]2CCCN(c3ccccn3)C2)oc1C ZINC000096493800 218871855 /nfs/dbraw/zinc/87/18/55/218871855.db2.gz BTLWNPKBZOQWAV-AWEZNQCLSA-N 0 3 329.400 2.528 40 0 EFABHN COc1cc(Br)ccc1CNCC1(OC)CCOCC1 ZINC000096500761 218876265 /nfs/dbraw/zinc/87/62/65/218876265.db2.gz RVIMVUCSGASNER-UHFFFAOYSA-N 0 3 344.249 2.743 40 0 EFABHN Cc1nc(-c2noc3ccccc32)sc1C(=O)NCCN(C)C ZINC000206336887 258003779 /nfs/dbraw/zinc/00/37/79/258003779.db2.gz JLOYXABXNJCBJF-UHFFFAOYSA-N 0 3 330.413 2.551 40 0 EFABHN CCc1ncnc(N(C)C2CCN(CCc3ccncc3)CC2)c1F ZINC000096489001 544559444 /nfs/dbraw/zinc/55/94/44/544559444.db2.gz ZFOJCQFSBKXAPW-UHFFFAOYSA-N 0 3 343.450 2.716 40 0 EFABHN COc1ncccc1CN1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096159540 274170374 /nfs/dbraw/zinc/17/03/74/274170374.db2.gz NKRCUQZKMWFTOO-SFHVURJKSA-N 0 3 343.452 2.781 40 0 EFABHN c1coc(CN2CCC[C@@]3(C2)COCCN(Cc2ccccn2)C3)c1 ZINC000096229314 275074540 /nfs/dbraw/zinc/07/45/40/275074540.db2.gz BIHSHVPOSCPDEF-FQEVSTJZSA-N 0 3 341.455 2.789 40 0 EFABHN CCN1CCC2(CC1)C[C@H](NC(=O)c1ccno1)c1ccccc1O2 ZINC000096079766 276152408 /nfs/dbraw/zinc/15/24/08/276152408.db2.gz AAGHNTDLAMPKGU-HNNXBMFYSA-N 0 3 341.411 2.783 40 0 EFABHN CCN1CC[C@]2(CN(Cc3nccs3)C[C@H]2c2ccccc2)C1=O ZINC000096201871 276236303 /nfs/dbraw/zinc/23/63/03/276236303.db2.gz MIMSUVCWRWOXRU-QFBILLFUSA-N 0 3 341.480 2.981 40 0 EFABHN CN1C[C@@H](COCC2CC2)[C@H]2CCN(Cc3ccoc3)CC[C@H]2C1=O ZINC000096043537 277192396 /nfs/dbraw/zinc/19/23/96/277192396.db2.gz LFLFPUZIGYORTH-IPMKNSEASA-N 0 3 346.471 2.623 40 0 EFABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CN)c2ccccc2Cl)C1 ZINC000022927599 277204390 /nfs/dbraw/zinc/20/43/90/277204390.db2.gz UPAMDOYRFUOKHL-WFASDCNBSA-N 0 3 339.867 2.939 40 0 EFABHN CO[C@@H](CN(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000252489977 277278450 /nfs/dbraw/zinc/27/84/50/277278450.db2.gz KGPAQTQHSRUBCN-KSSFIOAISA-N 0 3 348.468 2.715 40 0 EFABHN COc1cccc(CNC[C@H]2COCc3nc4cc(C)ccc4n32)n1 ZINC000096112818 278012448 /nfs/dbraw/zinc/01/24/48/278012448.db2.gz JZVRWEJWKHCVBH-HNNXBMFYSA-N 0 3 338.411 2.609 40 0 biogenic,in-vitro EFABHN CCN1CCN(CCC(=O)N2CCCCC[C@@H]2c2ccncc2)CC1 ZINC000096427143 279354625 /nfs/dbraw/zinc/35/46/25/279354625.db2.gz IQMQUXRRXOBYKJ-LJQANCHMSA-N 0 3 344.503 2.553 40 0 EFABHN Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCCN3C3CCN(C)CC3)n2)n1 ZINC000257282644 280278754 /nfs/dbraw/zinc/27/87/54/280278754.db2.gz OUPZMXZHERBBSX-KRWDZBQOSA-N 0 3 340.475 2.715 40 0 EFABHN Cc1ccccc1CN1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 ZINC000108529299 281342958 /nfs/dbraw/zinc/34/29/58/281342958.db2.gz GNEWESFWWBBJDI-SFTDATJTSA-N 0 3 337.467 2.865 40 0 EFABHN CN(C)[C@@H]1CCN(C(=O)c2ccc(F)cc2)[C@H]1Cc1ccncc1 ZINC000096200992 289316155 /nfs/dbraw/zinc/31/61/55/289316155.db2.gz WTCULPTXFVXTRN-MSOLQXFVSA-N 0 3 327.403 2.608 40 0 EFABHN Cn1cc([C@H]2C[C@H]2C(=O)N(CCN2CCCC2)c2ccccc2)cn1 ZINC000096416796 302938813 /nfs/dbraw/zinc/93/88/13/302938813.db2.gz FBQPFBLCORLHIN-RTBURBONSA-N 0 3 338.455 2.653 40 0 EFABHN C[C@@H]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c2c([O-])cccc21 ZINC000333254868 311590387 /nfs/dbraw/zinc/59/03/87/311590387.db2.gz HQGHQAZOOCOVDP-UKRRQHHQSA-N 0 3 340.427 2.667 40 0 EFABHN Cc1cccc([C@H](NC(=O)N2CCCN(C)CC2)C(F)(F)F)c1 ZINC000097100124 323213369 /nfs/dbraw/zinc/21/33/69/323213369.db2.gz PKQGBSBZWKRCCG-AWEZNQCLSA-N 0 3 329.366 2.946 40 0 EFABHN Cc1cccc([C@@H](NC(=O)N2CCCN(C)CC2)C(F)(F)F)c1 ZINC000097100125 323213461 /nfs/dbraw/zinc/21/34/61/323213461.db2.gz PKQGBSBZWKRCCG-CQSZACIVSA-N 0 3 329.366 2.946 40 0 EFABHN Cc1c(NC(=O)N2CCC(N3CC=CC3)CC2)cccc1N(C)C ZINC000102317116 323215072 /nfs/dbraw/zinc/21/50/72/323215072.db2.gz SPZAKIVGEHBEBU-UHFFFAOYSA-N 0 3 328.460 2.929 40 0 EFABHN CNC(=O)Cc1nc(CN[C@H]2CCC[C@@H]2c2ccccc2)cs1 ZINC000133470506 323219524 /nfs/dbraw/zinc/21/95/24/323219524.db2.gz XOZVDVREVKNUHQ-CVEARBPZSA-N 0 3 329.469 2.858 40 0 EFABHN CN(C)CCN(C)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000156007134 323221421 /nfs/dbraw/zinc/22/14/21/323221421.db2.gz XZIIWDPRQDSMFB-LBPRGKRZSA-N 0 3 339.308 2.771 40 0 EFABHN CC[C@@H](NC1CCN(CC(=O)NC)CC1)c1cccc(Cl)c1F ZINC000161559165 323222561 /nfs/dbraw/zinc/22/25/61/323222561.db2.gz SNSDNTSHTHRHRE-OAHLLOKOSA-N 0 3 341.858 2.730 40 0 EFABHN NC(=O)C[C@@H]1CCCN(CCCc2ccccc2Br)C1 ZINC000181940362 323256548 /nfs/dbraw/zinc/25/65/48/323256548.db2.gz QQLFAIOHXZNEPT-ZDUSSCGKSA-N 0 3 339.277 2.969 40 0 EFABHN C[C@H]1CN(CCCCNC(=O)N(C)c2ccc(F)cc2)C[C@H](C)O1 ZINC000190775991 323462303 /nfs/dbraw/zinc/46/23/03/323462303.db2.gz WOVYAIWTKCATRS-GJZGRUSLSA-N 0 3 337.439 2.861 40 0 EFABHN Fc1ccc(Br)c(CNCCc2nncn2C2CC2)c1 ZINC000090186583 472608041 /nfs/dbraw/zinc/60/80/41/472608041.db2.gz DRAMAKFYPSZRRA-UHFFFAOYSA-N 0 3 339.212 2.847 40 0 EFABHN COc1ccc(NCc2n[nH]c([C@@H](N)c3ccc(F)cc3)n2)cc1 ZINC000095533279 473222770 /nfs/dbraw/zinc/22/27/70/473222770.db2.gz PHPQIAJMXGWSLP-INIZCTEOSA-N 0 3 327.363 2.613 40 0 EFABHN CCOc1ccc([C@H](N)c2n[nH]c(-c3ccc(O)cc3)n2)cc1OC ZINC000095534242 473223882 /nfs/dbraw/zinc/22/38/82/473223882.db2.gz ILJFISXFNKARDB-INIZCTEOSA-N 0 3 340.383 2.633 40 0 EFABHN O=C(NCc1cccs1)[C@@]12CCO[C@@H]1CCN(Cc1ccco1)C2 ZINC000096038796 473258532 /nfs/dbraw/zinc/25/85/32/473258532.db2.gz GLQPAMCXSVUHBA-SJLPKXTDSA-N 0 3 346.452 2.639 40 0 EFABHN O=C(c1ccoc1)N1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000096046515 473266742 /nfs/dbraw/zinc/26/67/42/473266742.db2.gz OKFSCTRFLLTKFM-UHFFFAOYSA-N 0 3 325.412 2.803 40 0 EFABHN CN(Cc1cccnc1)[C@@H]1COC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096047977 473268504 /nfs/dbraw/zinc/26/85/04/473268504.db2.gz CZBFXMSDEOILCT-IBGZPJMESA-N 0 3 341.455 2.930 40 0 EFABHN O=C(c1cccnc1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1 ZINC000096047052 473268750 /nfs/dbraw/zinc/26/87/50/473268750.db2.gz SUZAUJYHXFGXDB-FQEVSTJZSA-N 0 3 336.439 2.605 40 0 EFABHN O=C(c1cccnc1)N1CCC[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096047031 473269625 /nfs/dbraw/zinc/26/96/25/473269625.db2.gz UVRHSCORVZRIGU-LJQANCHMSA-N 0 3 325.412 2.803 40 0 EFABHN Cc1ccc(CN2CC[C@@]3(C2)CCCN(Cc2cnn(C)c2)C3)o1 ZINC000096046983 473269683 /nfs/dbraw/zinc/26/96/83/473269683.db2.gz IOVNZIVELFNJBW-IBGZPJMESA-N 0 3 328.460 2.810 40 0 EFABHN Cc1ccc(CN2CCC[C@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)o1 ZINC000096048504 473271848 /nfs/dbraw/zinc/27/18/48/473271848.db2.gz QGHHWOWFABPJQQ-YJBOKZPZSA-N 0 3 346.406 2.753 40 0 EFABHN O=C(C[C@@H]1COC2(C1)CCN(Cc1ccco1)CC2)N1CCCC1 ZINC000096048168 473271938 /nfs/dbraw/zinc/27/19/38/473271938.db2.gz BKCFUPFGAKZERU-INIZCTEOSA-N 0 3 332.444 2.663 40 0 EFABHN c1cc(CN2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096048337 473272078 /nfs/dbraw/zinc/27/20/78/473272078.db2.gz YCWLQZVJFMNDNN-DOTOQJQBSA-N 0 3 330.457 2.774 40 0 EFABHN c1cc(CN2CCC3(CC2)CN(Cc2cccnc2)CCO3)co1 ZINC000096048931 473272233 /nfs/dbraw/zinc/27/22/33/473272233.db2.gz AOLPBHSTGXVGNQ-UHFFFAOYSA-N 0 3 327.428 2.542 40 0 EFABHN Fc1ccc(CN2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096048351 473272273 /nfs/dbraw/zinc/27/22/73/473272273.db2.gz IYOXGKSTFBAMBO-PKOBYXMFSA-N 0 3 342.418 2.851 40 0 EFABHN Fc1ccc(CN2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096048350 473272585 /nfs/dbraw/zinc/27/25/85/473272585.db2.gz IYOXGKSTFBAMBO-IEBWSBKVSA-N 0 3 342.418 2.851 40 0 EFABHN COc1cccc(CN2CC[C@@]3(CCN(Cc4ccco4)C3)C2=O)c1 ZINC000096050650 473273664 /nfs/dbraw/zinc/27/36/64/473273664.db2.gz YMMHPAJFEYUELG-HXUWFJFHSA-N 0 3 340.423 2.913 40 0 EFABHN CN(Cc1ccco1)[C@@H]1CCC12CCN(C(=O)C1CCOCC1)CC2 ZINC000096051610 473276101 /nfs/dbraw/zinc/27/61/01/473276101.db2.gz BATKMDFKMSCNAP-GOSISDBHSA-N 0 3 346.471 2.909 40 0 EFABHN O=C(NCC1CC1)[C@@H]1CN(Cc2ccc(F)cc2)CC12CCOCC2 ZINC000096052136 473276305 /nfs/dbraw/zinc/27/63/05/473276305.db2.gz LKXKMDISYSVDPV-SFHVURJKSA-N 0 3 346.446 2.581 40 0 EFABHN Cc1ccc(CN2CC[C@@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)o1 ZINC000096050947 473276382 /nfs/dbraw/zinc/27/63/82/473276382.db2.gz FSWFVKBKQBPBDO-LJQANCHMSA-N 0 3 343.427 2.817 40 0 EFABHN Cc1ccc(CN2C[C@@H]3CN(C(=O)c4cscn4)C[C@H]3C2)s1 ZINC000096053933 473276709 /nfs/dbraw/zinc/27/67/09/473276709.db2.gz GEXLIMJDIPTMLO-CHWSQXEVSA-N 0 3 333.482 2.717 40 0 EFABHN Cc1cccc(CO[C@H]2C[C@@H]3CN(Cc4cccs4)CCN3C2)n1 ZINC000096055067 473278281 /nfs/dbraw/zinc/27/82/81/473278281.db2.gz ALPOSNWRPHAPTP-MSOLQXFVSA-N 0 3 343.496 2.927 40 0 EFABHN c1csc(CN2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC000096055024 473279495 /nfs/dbraw/zinc/27/94/95/473279495.db2.gz QAOGTQNLVVYECZ-SJORKVTESA-N 0 3 329.469 2.618 40 0 EFABHN CN(C)C(=O)[C@H]1OC2(CCN(Cc3ccco3)CC2)c2ccccc21 ZINC000096058363 473283252 /nfs/dbraw/zinc/28/32/52/473283252.db2.gz HHIFFMYLXIQVIC-SFHVURJKSA-N 0 3 340.423 2.930 40 0 EFABHN CCn1cc2c(n1)[C@H](COCC1CC1)CN(CC1CCOCC1)C2 ZINC000096059952 473283709 /nfs/dbraw/zinc/28/37/09/473283709.db2.gz IPTGXWSECPHGNP-SFHVURJKSA-N 0 3 333.476 2.655 40 0 EFABHN Fc1ccc(CN2CCc3ncnc([C@H]4CCOC4)c3CC2)cc1 ZINC000096058646 473283969 /nfs/dbraw/zinc/28/39/69/473283969.db2.gz VVCAVEACOUPCTC-HNNXBMFYSA-N 0 3 327.403 2.720 40 0 EFABHN O=C([C@H]1CCC2(CCN(Cc3ccc(F)cc3)CC2)O1)N1CCCC1 ZINC000096061236 473284823 /nfs/dbraw/zinc/28/48/23/473284823.db2.gz PTGLLGMSJUYPQV-GOSISDBHSA-N 0 3 346.446 2.962 40 0 EFABHN Cc1ccc(CN2CCC3(CC[C@H](C(=O)NCC4CC4)O3)CC2)o1 ZINC000096061170 473285952 /nfs/dbraw/zinc/28/59/52/473285952.db2.gz QZBKWBQECLWIRD-QGZVFWFLSA-N 0 3 332.444 2.628 40 0 EFABHN C[C@H]1CN(Cc2ccco2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000096061274 473286098 /nfs/dbraw/zinc/28/60/98/473286098.db2.gz BPZPTDPECSBJIN-POZUXBRTSA-N 0 3 332.444 2.565 40 0 EFABHN O=C1C[C@H](c2ccncc2)C2(CCN(Cc3cccs3)CC2)N1 ZINC000096061543 473286250 /nfs/dbraw/zinc/28/62/50/473286250.db2.gz QRVFLJFDEZSOIU-MRXNPFEDSA-N 0 3 327.453 2.781 40 0 EFABHN O=C(c1ccncc1)N1C[C@H]2CN(Cc3ccccc3Cl)C[C@H]2C1 ZINC000096081021 473292823 /nfs/dbraw/zinc/29/28/23/473292823.db2.gz LTSLDESIHMXOAN-CALCHBBNSA-N 0 3 341.842 2.939 40 0 EFABHN CC1=N[C@@]2(CC[C@@H]3CN(Cc4cccc(Cl)c4)C[C@@H]32)C(=O)N1C ZINC000096087538 473293196 /nfs/dbraw/zinc/29/31/96/473293196.db2.gz VIUYWDLJPQKVSA-UWWQBHOKSA-N 0 3 331.847 2.811 40 0 EFABHN CC(C)CN1c2ccccc2[C@]2(CCN(Cc3cnn(C)c3)C2)C1=O ZINC000096100300 473296105 /nfs/dbraw/zinc/29/61/05/473296105.db2.gz UTASYXCXAYHDPO-HXUWFJFHSA-N 0 3 338.455 2.566 40 0 EFABHN Fc1cccnc1O[C@@H]1COC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096107032 473299938 /nfs/dbraw/zinc/29/99/38/473299938.db2.gz QEGHARXBGRBITA-INIZCTEOSA-N 0 3 343.402 2.818 40 0 EFABHN COc1cccc(CN2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c1 ZINC000096108845 473301329 /nfs/dbraw/zinc/30/13/29/473301329.db2.gz IDXZAQVTCRLXIL-XLIONFOSSA-N 0 3 340.423 2.618 40 0 EFABHN Cc1ncsc1CN1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 ZINC000096108892 473301511 /nfs/dbraw/zinc/30/15/11/473301511.db2.gz RGPUGFSNRCZTMC-SJLPKXTDSA-N 0 3 345.468 2.512 40 0 EFABHN Cc1cccnc1CNC[C@H]1COCc2nc3cc(F)ccc3n21 ZINC000096112737 473304990 /nfs/dbraw/zinc/30/49/90/473304990.db2.gz GFLSYQPPICOODZ-AWEZNQCLSA-N 0 3 326.375 2.740 40 0 biogenic,in-vitro EFABHN CO[C@@H]1CCN(Cc2ccsc2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096108588 473302153 /nfs/dbraw/zinc/30/21/53/473302153.db2.gz FCVPLHBAZSKJQU-IPMKNSEASA-N 0 3 343.496 2.864 40 0 EFABHN Cc1nc(COC[C@]23COC[C@H]2CN(Cc2ccccn2)C3)cs1 ZINC000096108909 473302623 /nfs/dbraw/zinc/30/26/23/473302623.db2.gz GZHGWEHNLFXNMG-QAPCUYQASA-N 0 3 345.468 2.512 40 0 EFABHN CN(C)C(=O)COC[C@@]12CCC[C@@H]1CN(Cc1cccc(F)c1)C2 ZINC000096109171 473302713 /nfs/dbraw/zinc/30/27/13/473302713.db2.gz HOQGDMXLUHNUBQ-APWZRJJASA-N 0 3 334.435 2.533 40 0 EFABHN Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2cccs2)cs1 ZINC000096110711 473303637 /nfs/dbraw/zinc/30/36/37/473303637.db2.gz UAHFSJQIXZPRBY-LSDHHAIUSA-N 0 3 333.482 2.888 40 0 EFABHN Fc1ccc2c(c1)nc1n2[C@@H](CNCc2ccncc2F)COC1 ZINC000096112735 473305895 /nfs/dbraw/zinc/30/58/95/473305895.db2.gz GCCJCFHRDNZIOL-ZDUSSCGKSA-N 0 3 330.338 2.571 40 0 biogenic,in-vitro EFABHN CCN(CC)c1ccc2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cn21 ZINC000096146199 473312312 /nfs/dbraw/zinc/31/23/12/473312312.db2.gz LIRMIJUIAXEMBU-QGZVFWFLSA-N 0 3 328.460 2.562 40 0 EFABHN CCOCC(=O)N1CCC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000096157595 473316354 /nfs/dbraw/zinc/31/63/54/473316354.db2.gz RCTOYPIGFULZLL-UHFFFAOYSA-N 0 3 334.435 2.677 40 0 EFABHN Cc1ccc(CN2CCC3(CC2)CN(c2ncccn2)CCO3)cc1 ZINC000096159022 473318355 /nfs/dbraw/zinc/31/83/55/473318355.db2.gz KLYXYQSTGLPAHM-UHFFFAOYSA-N 0 3 338.455 2.656 40 0 EFABHN Fc1cnc(N2CCC[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC000096158305 473318727 /nfs/dbraw/zinc/31/87/27/473318727.db2.gz XFCAVVSOSQIWBB-GOSISDBHSA-N 0 3 327.407 2.503 40 0 EFABHN Cc1noc(C)c1CN1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC000096158816 473318853 /nfs/dbraw/zinc/31/88/53/473318853.db2.gz QHPHSHFOMVELCF-UHFFFAOYSA-N 0 3 345.443 2.751 40 0 EFABHN Fc1cnc(N2CCC[C@@]3(CCN(Cc4cccnc4)C3)C2)nc1 ZINC000096158308 473318969 /nfs/dbraw/zinc/31/89/69/473318969.db2.gz WNKXQMLUKLXBNG-SFHVURJKSA-N 0 3 327.407 2.503 40 0 EFABHN Cc1noc(C)c1CN1C[C@@H]2CN(C(=O)c3cccs3)C[C@@H]2C1 ZINC000096161821 473320315 /nfs/dbraw/zinc/32/03/15/473320315.db2.gz GNXOOZFOZQFKHV-OKILXGFUSA-N 0 3 331.441 2.557 40 0 EFABHN O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccoc3)C[C@@H]21)c1ccsc1 ZINC000096185477 473325880 /nfs/dbraw/zinc/32/58/80/473325880.db2.gz KSJDXKJSYIMQTE-BHYGNILZSA-N 0 3 346.452 2.608 40 0 EFABHN Cc1cccc(CN2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@@H]32)n1 ZINC000096186117 473326180 /nfs/dbraw/zinc/32/61/80/473326180.db2.gz HCHNYUHCVNVWSH-UFYCRDLUSA-N 0 3 339.439 2.986 40 0 EFABHN c1cncc(CN2CC[C@@H]3[C@@H]2CCN3Cc2ccc3c(c2)OCO3)c1 ZINC000096184641 473326790 /nfs/dbraw/zinc/32/67/90/473326790.db2.gz HYAGSNJINORQGN-MSOLQXFVSA-N 0 3 337.423 2.659 40 0 EFABHN CCc1ccc(CN2CC[C@@H]3[C@@H](CO[C@@H]3CNc3ncccn3)C2)o1 ZINC000096187337 473328439 /nfs/dbraw/zinc/32/84/39/473328439.db2.gz AEAJXQBTAKTXSR-ZTFGCOKTSA-N 0 3 342.443 2.581 40 0 EFABHN CO[C@@H]1CCN(Cc2ccc3c(c2)OCO3)[C@H]1Cc1cccnc1 ZINC000096200137 473335177 /nfs/dbraw/zinc/33/51/77/473335177.db2.gz ZRXBVOQJQVRTPQ-DLBZAZTESA-N 0 3 326.396 2.642 40 0 EFABHN COCCO[C@H]1CCN(Cc2cccs2)[C@H]1Cc1cccnc1 ZINC000096200504 473336081 /nfs/dbraw/zinc/33/60/81/473336081.db2.gz GCAWPFMUUQEESH-ROUUACIJSA-N 0 3 332.469 2.992 40 0 EFABHN O=C1COC2(CCN(Cc3ccsc3)CC2)CN1c1cccnc1 ZINC000096201435 473337567 /nfs/dbraw/zinc/33/75/67/473337567.db2.gz CIEXMINRLXKVPD-UHFFFAOYSA-N 0 3 343.452 2.541 40 0 EFABHN c1cc(CN2CCC3(C[C@@H](OCC4CCOCC4)CO3)CC2)co1 ZINC000096206499 473340402 /nfs/dbraw/zinc/34/04/02/473340402.db2.gz NEIRNDPGHBGDCD-GOSISDBHSA-N 0 3 335.444 2.846 40 0 EFABHN Cc1ccc(CN2CCC3(CCOC[C@H]3NC(=O)C3CC3)CC2)s1 ZINC000096216359 473348008 /nfs/dbraw/zinc/34/80/08/473348008.db2.gz ODLSHIJFHQHAPK-QGZVFWFLSA-N 0 3 348.512 2.954 40 0 EFABHN O=C1CCCN1C[C@@H]1CCC[C@]2(CCN(Cc3ccsc3)C2)O1 ZINC000096215735 473348291 /nfs/dbraw/zinc/34/82/91/473348291.db2.gz UHDAZJVKSFWWCW-FUHWJXTLSA-N 0 3 334.485 2.884 40 0 EFABHN Cc1cccc(CN2CC[C@@]3(C2)CCCN(Cc2cnn(C)c2)C3)n1 ZINC000096217250 473349326 /nfs/dbraw/zinc/34/93/26/473349326.db2.gz VQSPMTKQGOFQNW-FQEVSTJZSA-N 0 3 339.487 2.612 40 0 EFABHN c1cc(CN2CCC3(CCOC[C@H]3COc3cnccn3)CC2)co1 ZINC000096216681 473349930 /nfs/dbraw/zinc/34/99/30/473349930.db2.gz JMVPFIHNKUHRPJ-KRWDZBQOSA-N 0 3 343.427 2.767 40 0 EFABHN O=C([C@@H]1CCC2(CCN(Cc3ccc(F)cc3)CC2)O1)N1CCCO1 ZINC000096220299 473354524 /nfs/dbraw/zinc/35/45/24/473354524.db2.gz RHZAGEAPKSYNGH-KRWDZBQOSA-N 0 3 348.418 2.503 40 0 EFABHN Cn1cc(CN2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)cn1 ZINC000096224593 473355781 /nfs/dbraw/zinc/35/57/81/473355781.db2.gz HXARIHXWTGTVPS-QGZVFWFLSA-N 0 3 330.457 2.501 40 0 EFABHN c1coc(CN2CCC[C@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096229021 473358555 /nfs/dbraw/zinc/35/85/55/473358555.db2.gz DENSVSAETHIMLW-LJQANCHMSA-N 0 3 327.428 2.794 40 0 EFABHN c1cncc(N2CCOC[C@]3(CCCN(Cc4ccncc4)C3)C2)c1 ZINC000096229022 473358579 /nfs/dbraw/zinc/35/85/79/473358579.db2.gz HZZUWOUHZWEJTO-FQEVSTJZSA-N 0 3 338.455 2.596 40 0 EFABHN O=C1C[C@]2(CCN(Cc3ccccn3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239047 473360432 /nfs/dbraw/zinc/36/04/32/473360432.db2.gz RSBVLUVIUNHMQM-IBGZPJMESA-N 0 3 343.377 2.989 40 0 EFABHN O=C(c1n[nH]c2c1CCC2)N1CCCN(CC2CCCCC2)CC1 ZINC000096402341 473379539 /nfs/dbraw/zinc/37/95/39/473379539.db2.gz FACIGLQBZWODNY-UHFFFAOYSA-N 0 3 330.476 2.627 40 0 EFABHN O=C(N1CC[C@H](N2CCCC2)C1)C1(c2cccc(F)c2)CCOCC1 ZINC000096403561 473379823 /nfs/dbraw/zinc/37/98/23/473379823.db2.gz NKYSXQXPUPTEKW-SFHVURJKSA-N 0 3 346.446 2.571 40 0 EFABHN CN(CC(C)(C)C)C(=O)Nc1ccc(CCN2CCN(C)CC2)cc1 ZINC000096403447 473380051 /nfs/dbraw/zinc/38/00/51/473380051.db2.gz WYWQNBTWXGQUAL-UHFFFAOYSA-N 0 3 346.519 2.986 40 0 EFABHN O=C(N1CC[C@@H](N2CCCC2)C1)C1(c2ccc(F)cc2)CCOCC1 ZINC000096403564 473380176 /nfs/dbraw/zinc/38/01/76/473380176.db2.gz ZZFPVYYLGIKGMS-GOSISDBHSA-N 0 3 346.446 2.571 40 0 EFABHN Cc1cccc([C@H](C)NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1C ZINC000096406856 473383910 /nfs/dbraw/zinc/38/39/10/473383910.db2.gz UDFMVZKKXAOYAG-BBWFWOEESA-N 0 3 331.460 2.527 40 0 EFABHN COCCCN1CCC(NC(=O)C[C@H]2CCOc3ccccc32)CC1 ZINC000096410107 473389750 /nfs/dbraw/zinc/38/97/50/473389750.db2.gz QOOGADSWKAVIJG-MRXNPFEDSA-N 0 3 346.471 2.560 40 0 EFABHN COc1cccc(OC)c1OC[C@H](O)CN[C@H](C)c1ccccc1 ZINC000000166999 471329884 /nfs/dbraw/zinc/32/98/84/471329884.db2.gz OXXHXPODIXKWPP-GDBMZVCRSA-N 0 3 331.412 2.794 40 0 EFABHN O=c1oc2ccccc2c(N2CCOCC2)c1CN1CCCCC1 ZINC000000272761 471342360 /nfs/dbraw/zinc/34/23/60/471342360.db2.gz GQIDLFCWFDHGDI-UHFFFAOYSA-N 0 3 328.412 2.616 40 0 biogenic EFABHN CCN1CCC[C@H]1CNC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000000900569 471377370 /nfs/dbraw/zinc/37/73/70/471377370.db2.gz LMXFPUVUUSHCMM-IBGZPJMESA-N 0 3 338.451 2.523 40 0 in-man EFABHN COC(=O)[C@H](c1ccccc1)C1(O)CCN(Cc2ccccc2)CC1 ZINC000001664549 471395184 /nfs/dbraw/zinc/39/51/84/471395184.db2.gz UHQATSRWAFZSAY-IBGZPJMESA-N 0 3 339.435 2.970 40 0 EFABHN C[C@@H](NC[C@H](O)COCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000002686933 471415860 /nfs/dbraw/zinc/41/58/60/471415860.db2.gz KIHNKUWMHHYLRO-PBHICJAKSA-N 0 3 329.396 2.644 40 0 EFABHN CCN1CC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000003635100 471455980 /nfs/dbraw/zinc/45/59/80/471455980.db2.gz LINSZIYEKJQFMG-SFHVURJKSA-N 0 3 325.408 2.560 40 0 in-vitro EFABHN CCN(CC)CCOC(=O)C[C@@](C)(O)[C@@H]1CCO[C@@](C)(CC)C1 ZINC000004027464 471458803 /nfs/dbraw/zinc/45/88/03/471458803.db2.gz NJVWNHTWZNLWLA-BPQIPLTHSA-N 0 3 329.481 2.608 40 0 EFABHN CCN1CCC[C@H]1CNC(=O)Nc1c[nH]c2cc(Cl)ccc2c1=O ZINC000004908051 471479136 /nfs/dbraw/zinc/47/91/36/471479136.db2.gz UITMDFSXBGPNRC-LBPRGKRZSA-N 0 3 348.834 2.787 40 0 EFABHN CCOCCCNCC(=O)Nc1ccc(C)c(Br)c1 ZINC000005000569 471483205 /nfs/dbraw/zinc/48/32/05/471483205.db2.gz ZOEFAEWUCMCANQ-UHFFFAOYSA-N 0 3 329.238 2.712 40 0 EFABHN O=C(O[C@H]1CCN2CCC[C@H]12)C(O)(c1ccccc1)c1ccccc1 ZINC000005063844 471485782 /nfs/dbraw/zinc/48/57/82/471485782.db2.gz ITNRFSFKGBWFIP-MOPGFXCFSA-N 0 3 337.419 2.702 40 0 EFABHN OCCN(Cc1ccccc1)C[C@H](O)COc1ccccc1Cl ZINC000006495897 471546951 /nfs/dbraw/zinc/54/69/51/471546951.db2.gz CGMKQAKELINUJV-INIZCTEOSA-N 0 3 335.831 2.574 40 0 EFABHN Cc1ccccc1CN(C)C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000006939109 471579254 /nfs/dbraw/zinc/57/92/54/471579254.db2.gz JALBKWKSWPPHMG-GOSISDBHSA-N 0 3 343.423 2.733 40 0 EFABHN NC(=O)C1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000007016382 471584592 /nfs/dbraw/zinc/58/45/92/471584592.db2.gz NDACNJXGOOOJIY-UHFFFAOYSA-N 0 3 337.423 2.636 40 0 EFABHN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1C[C@H](C)C[C@H](C)C1 ZINC000007224760 471599423 /nfs/dbraw/zinc/59/94/23/471599423.db2.gz YRSCEPYBHFNSHI-BBWFWOEESA-N 0 3 345.487 2.828 40 0 EFABHN COC(=O)c1ccc(CNC(=O)CN2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000008267651 471676083 /nfs/dbraw/zinc/67/60/83/471676083.db2.gz HRPBXLQVYZVWKH-FUHWJXTLSA-N 0 3 344.455 2.602 40 0 EFABHN CCOc1cc(CN[C@@H](CC)CO)cc(Br)c1OC ZINC000008326258 471681690 /nfs/dbraw/zinc/68/16/90/471681690.db2.gz LOIHJAMYBYAOEQ-NSHDSACASA-N 0 3 332.238 2.717 40 0 EFABHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc(=O)[nH]c1 ZINC000010281802 471732339 /nfs/dbraw/zinc/73/23/39/471732339.db2.gz MRTYASFLEZYOQQ-UHFFFAOYSA-N 0 3 325.412 2.703 40 0 EFABHN Cc1cc2nc(C3CCN(Cc4cccc(C)n4)CC3)cc(N)n2n1 ZINC000012088795 471763632 /nfs/dbraw/zinc/76/36/32/471763632.db2.gz YTXDSYBOOZIWOM-UHFFFAOYSA-N 0 3 336.443 2.703 40 0 EFABHN CCCN1C[C@H](NC(=O)c2cc(C)no2)[C@@H](c2ccc(OC)cc2)C1 ZINC000012241813 471769313 /nfs/dbraw/zinc/76/93/13/471769313.db2.gz DEEHMBVTJNFSLF-SJORKVTESA-N 0 3 343.427 2.599 40 0 EFABHN CCOC(=O)[C@]1(Cc2cc(-c3ccccc3F)no2)CCCNC1 ZINC000012275205 471770862 /nfs/dbraw/zinc/77/08/62/471770862.db2.gz BBBNUWJZKFDDBS-SFHVURJKSA-N 0 3 332.375 2.956 40 0 EFABHN CCOc1cc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)ccc1OC ZINC000012366575 471773386 /nfs/dbraw/zinc/77/33/86/471773386.db2.gz XOMUFYYQLDHJDG-NVXWUHKLSA-N 0 3 346.427 2.738 40 0 EFABHN CN(C)CCN(Cc1cccnc1)C(=O)C1(c2ccccc2F)CC1 ZINC000012360989 471773649 /nfs/dbraw/zinc/77/36/49/471773649.db2.gz RZUSWURNESRPHU-UHFFFAOYSA-N 0 3 341.430 2.843 40 0 EFABHN CCOc1ccc(N2C(=O)C[C@@H](NC3CCC(C)CC3)C2=O)cc1 ZINC000013404038 471828813 /nfs/dbraw/zinc/82/88/13/471828813.db2.gz MYXUSYFLIBIYLP-MQBCKMQZSA-N 0 3 330.428 2.886 40 0 EFABHN CC(C)[C@@H](NCC(=O)Nc1ccccc1C(N)=O)c1ccccc1 ZINC000014775988 471878577 /nfs/dbraw/zinc/87/85/77/471878577.db2.gz UIKKRTUUKOKKCH-GOSISDBHSA-N 0 3 325.412 2.711 40 0 EFABHN C[C@@H]1CCc2nc(NC(=O)C3=CC4C=CC=C[C@@H]4OC3=O)sc2C1 ZINC000016740167 471948755 /nfs/dbraw/zinc/94/87/55/471948755.db2.gz FVKQGVCDINMMBG-GYSYKLTISA-N 0 3 342.420 2.800 40 0 EFABHN CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COc2cc(C)cc(C)c2C)C1 ZINC000017296890 471960201 /nfs/dbraw/zinc/96/02/01/471960201.db2.gz RGKJDDDODPIFDE-QZTJIDSGSA-N 0 3 349.471 2.627 40 0 EFABHN Cc1ccc([C@@H](O)CN2CCO[C@@H](CN3CCCCC3)C2)c(C)c1 ZINC000019132523 471977488 /nfs/dbraw/zinc/97/74/88/471977488.db2.gz BOPTVRBZIJZKMO-ICSRJNTNSA-N 0 3 332.488 2.524 40 0 EFABHN CN1C(=O)c2ccccc2[C@H](O)[C@]2(C)CN(Cc3ccccc3)C[C@@H]12 ZINC000019461862 471979350 /nfs/dbraw/zinc/97/93/50/471979350.db2.gz CDVBKHQCSLCOAU-SVFBPWRDSA-N 0 3 336.435 2.696 40 0 EFABHN COCCNc1ccc(-c2noc([C@@H]3CCCN3CC3CC3)n2)cn1 ZINC000035425248 471996388 /nfs/dbraw/zinc/99/63/88/471996388.db2.gz XBSCRCVHXCSWNG-HNNXBMFYSA-N 0 3 343.431 2.737 40 0 biogenic,in-vitro EFABHN Cc1ccccc1C(=O)NCCNc1cc(N2CCCC2)nc(C)n1 ZINC000036708049 472004162 /nfs/dbraw/zinc/00/41/62/472004162.db2.gz LYQVEPJYEWWXEC-UHFFFAOYSA-N 0 3 339.443 2.536 40 0 EFABHN Cc1ccc(OC[C@H](O)CN(C)Cc2ccc3c(c2)OCO3)cc1 ZINC000025368666 472093529 /nfs/dbraw/zinc/09/35/29/472093529.db2.gz SGSAEOMMBTURCY-MRXNPFEDSA-N 0 3 329.396 2.595 40 0 EFABHN COc1ccc(CN2CCC[C@H](c3nnc(SC)n3C)C2)cc1 ZINC000026441088 472136233 /nfs/dbraw/zinc/13/62/33/472136233.db2.gz DWADXOMINRMLEG-AWEZNQCLSA-N 0 3 332.473 2.925 40 0 EFABHN C[C@@H](Oc1ccccc1)C(=O)N1CCCSC[C@@H]1CN1CCCC1 ZINC000085436273 472247946 /nfs/dbraw/zinc/24/79/46/472247946.db2.gz GKHOBZXTFIIKMI-SJORKVTESA-N 0 3 348.512 2.884 40 0 EFABHN C[C@@H]1CN(C)CCN1CC1CCN(C(=O)CCC2CCCC2)CC1 ZINC000085468127 472251452 /nfs/dbraw/zinc/25/14/52/472251452.db2.gz VSCLUJBLGNSVCM-QGZVFWFLSA-N 0 3 335.536 2.831 40 0 EFABHN Cc1cc(NC(=O)CCN2CCCN(Cc3ccccc3)CC2)no1 ZINC000044895968 472349430 /nfs/dbraw/zinc/34/94/30/472349430.db2.gz ZJTBMEZAEPRYJN-UHFFFAOYSA-N 0 3 342.443 2.520 40 0 EFABHN CN(CCN[C@H]1CCS(=O)(=O)c2ccccc21)C1CCCCC1 ZINC000097098752 472445518 /nfs/dbraw/zinc/44/55/18/472445518.db2.gz RFEIESOJRRFCSX-KRWDZBQOSA-N 0 3 336.501 2.759 40 0 EFABHN COc1cc(CCN[C@@H]2CCS(=O)(=O)c3ccccc32)ccc1F ZINC000097099492 472446269 /nfs/dbraw/zinc/44/62/69/472446269.db2.gz JEOOYZVUQVWYFU-MRXNPFEDSA-N 0 3 349.427 2.885 40 0 EFABHN CCOc1ncccc1CN[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000097228282 472483331 /nfs/dbraw/zinc/48/33/31/472483331.db2.gz CLFIDMRHBRIWGB-LPHOPBHVSA-N 0 3 340.471 2.876 40 0 EFABHN CCS(=O)(=O)C[C@@H](C)N[C@H]1CCCN(c2cc(C)ccc2F)C1 ZINC000097230724 472483829 /nfs/dbraw/zinc/48/38/29/472483829.db2.gz VACSYAVKZMDUEF-CABCVRRESA-N 0 3 342.480 2.516 40 0 EFABHN Cc1ccsc1CN1C[C@H]2OCC[C@H]2[C@H](C(=O)N2CCCC2)C1 ZINC000097953394 472512906 /nfs/dbraw/zinc/51/29/06/472512906.db2.gz DYYJXMWAGWRZEE-ARFHVFGLSA-N 0 3 334.485 2.516 40 0 EFABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@H](CN)c2ccc(Cl)cc2)C1 ZINC000101039131 472529990 /nfs/dbraw/zinc/52/99/90/472529990.db2.gz PVHYSIRBQBWLRV-LSDHHAIUSA-N 0 3 339.867 2.939 40 0 EFABHN CC(C)COc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cn1 ZINC000102716150 472589889 /nfs/dbraw/zinc/58/98/89/472589889.db2.gz CETJYRWIYLJYFX-MRXNPFEDSA-N 0 3 330.432 2.594 40 0 EFABHN NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000072228508 472635634 /nfs/dbraw/zinc/63/56/34/472635634.db2.gz ZHRZBANEDKNUDH-UHFFFAOYSA-N 0 3 326.469 2.664 40 0 EFABHN CCOc1ccccc1NC(=O)N1CCCSC[C@H]1CN(C)C ZINC000090608926 472642623 /nfs/dbraw/zinc/64/26/23/472642623.db2.gz OPNLBDMMRVDLHD-CQSZACIVSA-N 0 3 337.489 2.986 40 0 EFABHN CCOc1cc(CNC2CC2)ccc1OCC(=O)N1CCCCC1 ZINC000060815302 472678893 /nfs/dbraw/zinc/67/88/93/472678893.db2.gz VYSKDAYXMARFKK-UHFFFAOYSA-N 0 3 332.444 2.729 40 0 EFABHN CC(=O)N1CCN(c2ccccc2CNCc2cccc(F)c2)CC1 ZINC000078394296 472710644 /nfs/dbraw/zinc/71/06/44/472710644.db2.gz FUXSBMDPGQNCPW-UHFFFAOYSA-N 0 3 341.430 2.784 40 0 EFABHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C1CC(OC(C)(C)C)C1 ZINC000132129538 472716377 /nfs/dbraw/zinc/71/63/77/472716377.db2.gz DTOLDTVRJDJQLO-GRTSSRMGSA-N 0 3 340.489 2.673 40 0 EFABHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C1CC(OC(C)(C)C)C1 ZINC000132129755 472716965 /nfs/dbraw/zinc/71/69/65/472716965.db2.gz DTOLDTVRJDJQLO-LRVUVFPRSA-N 0 3 340.489 2.673 40 0 EFABHN COc1ccccc1[C@@H](NC[C@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000091280565 472751489 /nfs/dbraw/zinc/75/14/89/472751489.db2.gz YWMDSPOCXOKQDJ-KDOFPFPSSA-N 0 3 337.485 2.951 40 0 EFABHN COc1ccccc1[C@@H](C)S(=O)(=O)C(C)C(=O)N1CCCCC1 ZINC000078822479 472776449 /nfs/dbraw/zinc/77/64/49/472776449.db2.gz JZCWYOAQOGFFOA-ZIAGYGMSSA-N 0 3 339.457 2.572 40 0 EFABHN O=C(CCN1CCSC1=O)Nc1cnccc1N1CCCCC1 ZINC000079041174 472810020 /nfs/dbraw/zinc/81/00/20/472810020.db2.gz NILOUOFLMXPWST-UHFFFAOYSA-N 0 3 334.445 2.569 40 0 EFABHN C[C@H](NC1(CNC(=O)c2cccn2C)CCOCC1)c1ccccc1 ZINC000079096319 472819487 /nfs/dbraw/zinc/81/94/87/472819487.db2.gz YYZGQYYKOSTZCD-INIZCTEOSA-N 0 3 341.455 2.655 40 0 EFABHN O=C(OCc1ccccc1)N1CCCC[C@@H]1CN(CCO)C1CC1 ZINC000079390923 472857323 /nfs/dbraw/zinc/85/73/23/472857323.db2.gz CLIGMJYADFFTGY-GOSISDBHSA-N 0 3 332.444 2.634 40 0 EFABHN CC(C)[C@H](N)C(=O)N1CCC(N(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000079410276 472859815 /nfs/dbraw/zinc/85/98/15/472859815.db2.gz JUEIUPNCAWEGRD-HNNXBMFYSA-N 0 3 341.496 2.606 40 0 EFABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000073743279 472866440 /nfs/dbraw/zinc/86/64/40/472866440.db2.gz NVFXMJRRAQMWFI-AWEZNQCLSA-N 0 3 331.460 2.523 40 0 EFABHN CN(C)Cc1ccc(NC(=O)c2cn(Cc3cccs3)nn2)cc1 ZINC000079451117 472867156 /nfs/dbraw/zinc/86/71/56/472867156.db2.gz BVUHZAUXGMYACA-UHFFFAOYSA-N 0 3 341.440 2.702 40 0 EFABHN CSCC[C@H](N)C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000157986513 472880740 /nfs/dbraw/zinc/88/07/40/472880740.db2.gz AVIZZFGSGACPKU-AWEZNQCLSA-N 0 3 342.892 2.790 40 0 EFABHN Cc1ccc(OCCNCC(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000049605831 472954920 /nfs/dbraw/zinc/95/49/20/472954920.db2.gz MGGBMINGCIQACU-SFHVURJKSA-N 0 3 340.423 2.603 40 0 EFABHN O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CCN(Cc1ccccn1)C2 ZINC000108531085 473036135 /nfs/dbraw/zinc/03/61/35/473036135.db2.gz BFHLDJFMYZFNKP-FUHWJXTLSA-N 0 3 349.425 2.988 40 0 EFABHN C[C@@H](CCc1ccc(O)cc1)NCC(=O)N1CCc2sccc2C1 ZINC000136411649 473157420 /nfs/dbraw/zinc/15/74/20/473157420.db2.gz PLMPURYYIXPODW-AWEZNQCLSA-N 0 3 344.480 2.949 40 0 EFABHN C[C@@H]1CN(CCCCNC(=O)[C@H]2CSc3ccccc32)C[C@H](C)O1 ZINC000110674618 473169807 /nfs/dbraw/zinc/16/98/07/473169807.db2.gz CQYLRDKBAXXDPX-UXLLHSPISA-N 0 3 348.512 2.882 40 0 EFABHN Cc1nc(-c2ccccc2NC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)no1 ZINC000110686005 473171160 /nfs/dbraw/zinc/17/11/60/473171160.db2.gz NAZLVLZCJLFUDR-WBMJQRKESA-N 0 3 343.431 2.849 40 0 EFABHN COc1ccc(C[C@@H](C)CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000110695711 473172948 /nfs/dbraw/zinc/17/29/48/473172948.db2.gz GCBRCEYZHIMEER-GJYPPUQNSA-N 0 3 347.503 2.855 40 0 EFABHN CCn1nc(C)cc1C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000096414011 473392796 /nfs/dbraw/zinc/39/27/96/473392796.db2.gz VTMHXGQPJNPHFX-UHFFFAOYSA-N 0 3 330.432 2.713 40 0 EFABHN Cc1ccc(-n2ccnc2)c(C(=O)N2CCN(c3ccncc3)CC2)c1 ZINC000096427107 473406077 /nfs/dbraw/zinc/40/60/77/473406077.db2.gz FZYXNNOJWUNXBG-UHFFFAOYSA-N 0 3 347.422 2.538 40 0 EFABHN Cc1cncc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1 ZINC000096430761 473409792 /nfs/dbraw/zinc/40/97/92/473409792.db2.gz JBKRHLWQWBCACM-UHFFFAOYSA-N 0 3 333.382 2.872 40 0 EFABHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1cn[nH]c1 ZINC000096435674 473415030 /nfs/dbraw/zinc/41/50/30/473415030.db2.gz XJMXNSGBNDSLKH-INIZCTEOSA-N 0 3 327.432 2.786 40 0 EFABHN CN(C)CCn1ccc(NC(=O)N2CC[C@H](Cc3ccccc3)C2)n1 ZINC000096435379 473415140 /nfs/dbraw/zinc/41/51/40/473415140.db2.gz FNJJLXIUGSEMNP-QGZVFWFLSA-N 0 3 341.459 2.541 40 0 EFABHN Cc1ccccc1NC(=O)CCN1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000096443304 473420877 /nfs/dbraw/zinc/42/08/77/473420877.db2.gz DBOSNMQGTFPKOV-MRXNPFEDSA-N 0 3 331.460 2.560 40 0 EFABHN CCN1CCN(CCC(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000096445548 473423392 /nfs/dbraw/zinc/42/33/92/473423392.db2.gz FCALPMOWVWGKNR-OXQOHEQNSA-N 0 3 347.478 2.763 40 0 EFABHN CN1CCC(NC(=O)CSCc2c(F)cccc2Cl)CC1 ZINC000113932694 473424376 /nfs/dbraw/zinc/42/43/76/473424376.db2.gz ZBUYVRKMZYPAOU-UHFFFAOYSA-N 0 3 330.856 2.923 40 0 EFABHN CCS[C@@H]1CCC[C@H](NC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000096452312 473428854 /nfs/dbraw/zinc/42/88/54/473428854.db2.gz GBQFUICDPAJRPJ-GOEBONIOSA-N 0 3 325.522 2.977 40 0 EFABHN Cc1cc2cc(CNC3CCN(CC(=O)N(C)C)CC3)oc2cc1C ZINC000096453975 473430095 /nfs/dbraw/zinc/43/00/95/473430095.db2.gz PIUINJOQEXVUMR-UHFFFAOYSA-N 0 3 343.471 2.692 40 0 EFABHN Cc1ccc(O)c(CNc2ccccc2CN2CCC(CO)CC2)n1 ZINC000096461406 473433980 /nfs/dbraw/zinc/43/39/80/473433980.db2.gz GAKKSSGOUFKNPE-UHFFFAOYSA-N 0 3 341.455 2.912 40 0 EFABHN C[C@H](NC[C@H](c1ccccc1)N1CCOCC1)c1cncc(F)c1 ZINC000096476459 473439864 /nfs/dbraw/zinc/43/98/64/473439864.db2.gz DHOJUGKNSLRKBS-HNAYVOBHSA-N 0 3 329.419 2.945 40 0 EFABHN CC(C)[C@@H](NCCC(=O)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000096492299 473447507 /nfs/dbraw/zinc/44/75/07/473447507.db2.gz VJBAAVNQCQZCAI-QGZVFWFLSA-N 0 3 326.387 2.500 40 0 EFABHN O=C(NCc1ccccc1CN1CCC[C@H]1CO)C1CCCCC1 ZINC000096500979 473453326 /nfs/dbraw/zinc/45/33/26/473453326.db2.gz SDGRACYZYRQCRE-IBGZPJMESA-N 0 3 330.472 2.840 40 0 EFABHN Cc1cc(NC(=O)CN2CCN(C[C@@H]3C(C)=CCC[C@H]3C)CC2)no1 ZINC000191044179 473464592 /nfs/dbraw/zinc/46/45/92/473464592.db2.gz RCALACLHHJWBRW-NVXWUHKLSA-N 0 3 346.475 2.532 40 0 EFABHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)C1 ZINC000191905930 473588823 /nfs/dbraw/zinc/58/88/23/473588823.db2.gz ZKNNXGPNWWGBDS-DZGCQCFKSA-N 0 3 338.835 2.977 40 0 EFABHN CN(C)CCn1ccc(NC(=O)N2CCc3cc(Cl)ccc3C2)n1 ZINC000192278090 473662627 /nfs/dbraw/zinc/66/26/27/473662627.db2.gz NEJPMPUGVPWIOX-UHFFFAOYSA-N 0 3 347.850 2.688 40 0 EFABHN CCOc1cncc(N2CC[C@@H](CN(C)Cc3scnc3C)C2)n1 ZINC000192790050 473726518 /nfs/dbraw/zinc/72/65/18/473726518.db2.gz BESLGWRWAAJWLP-AWEZNQCLSA-N 0 3 347.488 2.599 40 0 EFABHN Cc1cc(N2CC[C@@H](NC[C@H](C)c3cccc(Cl)c3)C2=O)n(C)n1 ZINC000188061082 473968060 /nfs/dbraw/zinc/96/80/60/473968060.db2.gz ODWZEEZHKXXFOL-BLLLJJGKSA-N 0 3 346.862 2.881 40 0 EFABHN c1c[nH]c([C@@H](N[C@@H]2CCN(CC3CCCC3)C2)c2cccnc2)n1 ZINC000195048961 473998203 /nfs/dbraw/zinc/99/82/03/473998203.db2.gz WTTFEDYHWBMBPK-MSOLQXFVSA-N 0 3 325.460 2.748 40 0 EFABHN Cc1ccccc1C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188174260 474008519 /nfs/dbraw/zinc/00/85/19/474008519.db2.gz USQWACXAUJNUNK-NRFANRHFSA-N 0 3 338.451 2.704 40 0 EFABHN C[C@@H](Cc1ccc(Br)cc1)NCc1cc(C(N)=O)co1 ZINC000188414363 474087753 /nfs/dbraw/zinc/08/77/53/474087753.db2.gz TZJCDZOWFPSARL-JTQLQIEISA-N 0 3 337.217 2.862 40 0 EFABHN C[C@H](C(=O)N1CCC(OC2CCOCC2)CC1)[C@H](N)c1ccccc1 ZINC000195543436 474091706 /nfs/dbraw/zinc/09/17/06/474091706.db2.gz WFXVYEMKVRTUTF-KXBFYZLASA-N 0 3 346.471 2.509 40 0 EFABHN C[C@@H](NC[C@H]1CCCS1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000195541271 474092097 /nfs/dbraw/zinc/09/20/97/474092097.db2.gz HEBOVJSZCSHYDP-CZUORRHYSA-N 0 3 340.514 2.773 40 0 EFABHN C[C@@H](c1ccccc1)n1ccc(NC(=O)C[C@@H]2CSCCN2)n1 ZINC000195544103 474093377 /nfs/dbraw/zinc/09/33/77/474093377.db2.gz KGYYQIWCBVXLQE-DZGCQCFKSA-N 0 3 330.457 2.526 40 0 EFABHN CS[C@H](CN[C@H]1CCCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000195549814 474093450 /nfs/dbraw/zinc/09/34/50/474093450.db2.gz HZMOYUDQSCWKEE-UONOGXRCSA-N 0 3 333.906 2.911 40 0 EFABHN OC[C@@H](CN[C@H]1CCCOc2cc(F)ccc21)Cc1ccccn1 ZINC000195557679 474094566 /nfs/dbraw/zinc/09/45/66/474094566.db2.gz VBHFUSNAXDMQBH-KDOFPFPSSA-N 0 3 330.403 2.875 40 0 EFABHN Cc1ncsc1CN[C@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000195566494 474097743 /nfs/dbraw/zinc/09/77/43/474097743.db2.gz AIWWQNFBOJYMFV-LLVKDONJSA-N 0 3 329.425 2.616 40 0 EFABHN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCN(C)CC1 ZINC000222881134 474175275 /nfs/dbraw/zinc/17/52/75/474175275.db2.gz SHSRTPZCMNQILF-IBGZPJMESA-N 0 3 330.472 2.933 40 0 EFABHN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)o1 ZINC000223252435 474181809 /nfs/dbraw/zinc/18/18/09/474181809.db2.gz RKHOSICRNLLGDG-CVEARBPZSA-N 0 3 330.457 2.517 40 0 EFABHN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)o1 ZINC000223252541 474182283 /nfs/dbraw/zinc/18/22/83/474182283.db2.gz RKHOSICRNLLGDG-HOTGVXAUSA-N 0 3 330.457 2.517 40 0 EFABHN CN1CCC(Oc2ccc(CNC(=O)NCc3ccoc3)cc2)CC1 ZINC000225458022 474213819 /nfs/dbraw/zinc/21/38/19/474213819.db2.gz NSKXIJAPCBCHSQ-UHFFFAOYSA-N 0 3 343.427 2.752 40 0 EFABHN CNCC(=O)N[C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000225471689 474214608 /nfs/dbraw/zinc/21/46/08/474214608.db2.gz SHFTUDUMIMANOW-SDBXPKJASA-N 0 3 329.263 2.568 40 0 EFABHN O=C(CC1=CCCCC1)N1Cc2ccnn2[C@H](CN2CCCC2)C1 ZINC000247856512 474216805 /nfs/dbraw/zinc/21/68/05/474216805.db2.gz KVYUEWZVIDONSO-GOSISDBHSA-N 0 3 328.460 2.753 40 0 EFABHN CC[C@H](NC[C@]1(O)CCOC1)c1cc(F)cc(Br)c1 ZINC000225549813 474223692 /nfs/dbraw/zinc/22/36/92/474223692.db2.gz YOFMMBOGDCXWQS-UONOGXRCSA-N 0 3 332.213 2.780 40 0 EFABHN Cc1cc(F)ccc1S(=O)(=O)NCCCN1CCC(C)CC1 ZINC000225594585 474227467 /nfs/dbraw/zinc/22/74/67/474227467.db2.gz HURWIUSNGHHKAQ-UHFFFAOYSA-N 0 3 328.453 2.534 40 0 EFABHN c1coc(CN2CC[C@@H]3[C@H](CC2)OCCN3Cc2cccnc2)c1 ZINC000247926112 474228292 /nfs/dbraw/zinc/22/82/92/474228292.db2.gz PNQTYYMGKCOXSE-MOPGFXCFSA-N 0 3 327.428 2.540 40 0 EFABHN Cc1cc(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)ccc1F ZINC000225609171 474228517 /nfs/dbraw/zinc/22/85/17/474228517.db2.gz NCKFVOZWAJNQIU-CYBMUJFWSA-N 0 3 328.453 2.534 40 0 EFABHN CN(C)CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000247969992 474234730 /nfs/dbraw/zinc/23/47/30/474234730.db2.gz HJZSKXWSAJSZGL-MNZLEMJZSA-N 0 3 344.455 2.742 40 0 EFABHN Cc1ccc(CN2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC000248070643 474254871 /nfs/dbraw/zinc/25/48/71/474254871.db2.gz GESCCDCBNGHGCD-ZWKOTPCHSA-N 0 3 343.496 2.927 40 0 EFABHN Cc1ccc(CN2CCN3C[C@@H](OCc4ccccn4)C[C@H]3C2)s1 ZINC000248117078 474261247 /nfs/dbraw/zinc/26/12/47/474261247.db2.gz SQXOYEIHHGXUSK-ROUUACIJSA-N 0 3 343.496 2.927 40 0 EFABHN CN(Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC000248154674 474271720 /nfs/dbraw/zinc/27/17/20/474271720.db2.gz YUYIWESOKHMODH-QGPMSJSTSA-N 0 3 327.428 2.980 40 0 EFABHN O=C(NC[C@@H]1CC[C@@H](O)C1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000248884301 474471284 /nfs/dbraw/zinc/47/12/84/474471284.db2.gz GXVUJKOROBPEGR-GUDVDZBRSA-N 0 3 345.487 2.501 40 0 EFABHN CCN(CC)C(=O)c1cccc(NC(=O)NC2(CN(C)C)CCC2)c1 ZINC000240244180 474549453 /nfs/dbraw/zinc/54/94/53/474549453.db2.gz DKQQJAATSIGQBO-UHFFFAOYSA-N 0 3 346.475 2.774 40 0 EFABHN COC[C@]1(CN)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242548901 474559327 /nfs/dbraw/zinc/55/93/27/474559327.db2.gz MANRXEBQSVJHMS-IPMKNSEASA-N 0 3 345.464 2.526 40 0 EFABHN c1ccc(CN2CCC(N3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000252488906 474675872 /nfs/dbraw/zinc/67/58/72/474675872.db2.gz JBKLVKMRSJDFEB-UHFFFAOYSA-N 0 3 336.483 2.868 40 0 EFABHN COC(=O)CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000252511299 474689674 /nfs/dbraw/zinc/68/96/74/474689674.db2.gz ZXGVCFUBRPSVAM-DOTOQJQBSA-N 0 3 346.471 2.745 40 0 EFABHN CN1CC[C@H](Nc2nccn3c2nnc3C2CC2)[C@H]1c1ccccc1 ZINC000252540592 474696270 /nfs/dbraw/zinc/69/62/70/474696270.db2.gz PPAIESSKKICYPF-JKSUJKDBSA-N 0 3 334.427 2.859 40 0 EFABHN CC[C@H](Cc1ccccc1)N(C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252581806 474697595 /nfs/dbraw/zinc/69/75/95/474697595.db2.gz MUABDEMJMCWDES-CEXWTWQISA-N 0 3 345.487 2.512 40 0 EFABHN Cc1nnsc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000252572224 474698409 /nfs/dbraw/zinc/69/84/09/474698409.db2.gz YZSFABCRSHPGQK-CZUORRHYSA-N 0 3 344.484 2.829 40 0 EFABHN CS(=O)(=O)N1CCC[C@H](CN2CCC[C@H]2c2ccsc2)C1 ZINC000252587349 474699464 /nfs/dbraw/zinc/69/94/64/474699464.db2.gz XQDRJLYGENAHLF-HIFRSBDPSA-N 0 3 328.503 2.557 40 0 EFABHN CS(=O)(=O)N1CCC[C@@H](CN2CCC[C@H]2c2ccsc2)C1 ZINC000252587350 474699834 /nfs/dbraw/zinc/69/98/34/474699834.db2.gz XQDRJLYGENAHLF-ZFWWWQNUSA-N 0 3 328.503 2.557 40 0 EFABHN COc1ccccc1N1CCC[C@H](N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1=O ZINC000253370599 474728115 /nfs/dbraw/zinc/72/81/15/474728115.db2.gz SZJBLFAIOLAPSK-LBTBCDHLSA-N 0 3 344.455 2.594 40 0 EFABHN O=S1(=O)CC[C@H](NCCC[C@@H]2CCCC[C@H]2O)c2ccccc21 ZINC000253370513 474728184 /nfs/dbraw/zinc/72/81/84/474728184.db2.gz RWPMSARSHJBIGH-BHYGNILZSA-N 0 3 337.485 2.826 40 0 EFABHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ncccc2OC)cc1 ZINC000253418369 474745095 /nfs/dbraw/zinc/74/50/95/474745095.db2.gz MZZOMSZDCBSXNK-OAHLLOKOSA-N 0 3 344.415 2.523 40 0 EFABHN Cc1nc(C2CC2)oc1C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000253420189 474746340 /nfs/dbraw/zinc/74/63/40/474746340.db2.gz VBGQKRUYKBGSPB-UHFFFAOYSA-N 0 3 347.459 2.625 40 0 EFABHN Cn1cc(CCC(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)cn1 ZINC000253419156 474746977 /nfs/dbraw/zinc/74/69/77/474746977.db2.gz KAURBZDLHIRLQL-QAPCUYQASA-N 0 3 346.500 2.614 40 0 EFABHN Cn1cc(CCC(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)cn1 ZINC000253419153 474747932 /nfs/dbraw/zinc/74/79/32/474747932.db2.gz KAURBZDLHIRLQL-CRAIPNDOSA-N 0 3 346.500 2.614 40 0 EFABHN CC(C)N1CCOC[C@@]2(CC[C@H](CNc3nc4ccccc4o3)O2)C1 ZINC000306123368 474805584 /nfs/dbraw/zinc/80/55/84/474805584.db2.gz ALJJFKAMQPMAHP-DNVCBOLYSA-N 0 3 345.443 2.898 40 0 EFABHN COC[C@H]1CCN(C)C2(CN(Cc3ccc4ccccc4n3)C2)C1 ZINC000306127866 474806549 /nfs/dbraw/zinc/80/65/49/474806549.db2.gz GJNUMUMHJUZHRV-INIZCTEOSA-N 0 3 325.456 2.777 40 0 EFABHN Cc1ncc(CN2CCNC[C@@H]2c2ccc(OC(C)C)cc2)cn1 ZINC000257283549 474931464 /nfs/dbraw/zinc/93/14/64/474931464.db2.gz OYUQZAHYIVPTHW-LJQANCHMSA-N 0 3 326.444 2.719 40 0 EFABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000257285952 474932590 /nfs/dbraw/zinc/93/25/90/474932590.db2.gz PJNMQJOYLAMLMU-KRWDZBQOSA-N 0 3 339.439 2.719 40 0 EFABHN COCCN1C(=O)CCC[C@H]2CN(Cc3ccccc3OC)CC[C@H]21 ZINC000257288713 474933689 /nfs/dbraw/zinc/93/36/89/474933689.db2.gz PVGPZKBWSPAHLT-FUHWJXTLSA-N 0 3 346.471 2.545 40 0 EFABHN CN1CCC(Cc2cccc(F)c2)(C(=O)NC[C@]2(C)CCCO2)CC1 ZINC000257290135 474935403 /nfs/dbraw/zinc/93/54/03/474935403.db2.gz QBSOOTUDJJOEBI-IBGZPJMESA-N 0 3 348.462 2.766 40 0 EFABHN Cn1cncc1-c1cncc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000257300762 474940249 /nfs/dbraw/zinc/94/02/49/474940249.db2.gz RVPCCTOOHPQWFG-INIZCTEOSA-N 0 3 334.427 2.652 40 0 EFABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3cnc4ccccc4c3)CCO2)n1 ZINC000257309080 474944641 /nfs/dbraw/zinc/94/46/41/474944641.db2.gz TZLMMPYGELBZQV-IBGZPJMESA-N 0 3 348.406 2.734 40 0 EFABHN CN1CCN(Cc2ncc[nH]2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257311735 474948152 /nfs/dbraw/zinc/94/81/52/474948152.db2.gz UKUBNRZSTKLCQQ-MRXNPFEDSA-N 0 3 335.455 2.564 40 0 EFABHN CNc1cc(C)nc([C@@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)c1 ZINC000257317500 474952048 /nfs/dbraw/zinc/95/20/48/474952048.db2.gz VJYUCVMXZGZPKB-SFHVURJKSA-N 0 3 343.402 2.713 40 0 EFABHN Cc1cccnc1Nc1nccnc1C1CCN([C@H]2CCOC2)CC1 ZINC000257318021 474952241 /nfs/dbraw/zinc/95/22/41/474952241.db2.gz VMDURURXXPJPPH-INIZCTEOSA-N 0 3 339.443 2.892 40 0 EFABHN C[C@]1(COc2cccnc2)C[C@@H]2CN(Cc3cncs3)CC[C@@H]2O1 ZINC000257320848 474953845 /nfs/dbraw/zinc/95/38/45/474953845.db2.gz VYVGOYYOECYOLD-FHLIZLRMSA-N 0 3 345.468 2.987 40 0 EFABHN CN(CCC(=O)N1CCC[C@H](c2nccs2)C1)Cc1cccnc1 ZINC000257323280 474954174 /nfs/dbraw/zinc/95/41/74/474954174.db2.gz WJMIKVOOGZUDCY-INIZCTEOSA-N 0 3 344.484 2.766 40 0 EFABHN Cn1cc(CN2[C@H](c3ccccc3)C[C@H]3NC(=O)CCCC[C@@H]32)cn1 ZINC000257331389 474959691 /nfs/dbraw/zinc/95/96/91/474959691.db2.gz XSQJSDAAJVJUMQ-QYZOEREBSA-N 0 3 338.455 2.795 40 0 EFABHN Cc1cc(N)cc([C@H]2CN(C(=O)c3ccc4ccccc4n3)CCO2)n1 ZINC000257336993 474961104 /nfs/dbraw/zinc/96/11/04/474961104.db2.gz YQXPBYDXPCXVDE-LJQANCHMSA-N 0 3 348.406 2.734 40 0 EFABHN Cn1cc(CN2CCC[C@H](c3ccnc(Nc4cnccn4)c3)C2)cn1 ZINC000257338617 474963186 /nfs/dbraw/zinc/96/31/86/474963186.db2.gz YYEIZIVDHPUWSE-KRWDZBQOSA-N 0 3 349.442 2.728 40 0 EFABHN Cn1cccc1C(=O)N1CCC[C@@H]1c1ccc(CN2CCCC2)cn1 ZINC000257340719 474963816 /nfs/dbraw/zinc/96/38/16/474963816.db2.gz ZHHDHIJNRSIVQJ-GOSISDBHSA-N 0 3 338.455 2.993 40 0 EFABHN Brc1cccc(N2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000330031903 475188298 /nfs/dbraw/zinc/18/82/98/475188298.db2.gz FRXPFVQAEIWIBW-ZDUSSCGKSA-N 0 3 325.250 2.608 40 0 EFABHN Brc1cccc(N2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000330031902 475187594 /nfs/dbraw/zinc/18/75/94/475187594.db2.gz FRXPFVQAEIWIBW-CYBMUJFWSA-N 0 3 325.250 2.608 40 0 EFABHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)Nc1ccccc1C(C)(F)F ZINC000455791157 477753048 /nfs/dbraw/zinc/75/30/48/477753048.db2.gz OLZKIOIWMBQTGV-IUODEOHRSA-N 0 3 341.402 2.717 40 0 EFABHN CC(C)CN1C[C@@H]2CN(C(=O)c3ccccc3F)CCN2C(C)(C)C1 ZINC000514288738 479021365 /nfs/dbraw/zinc/02/13/65/479021365.db2.gz DIRHFRQFRFGCSQ-MRXNPFEDSA-N 0 3 347.478 2.702 40 0 biogenic,in-vitro EFABHN Cc1c(CN2CCC[C@@]3(CCC(=O)N3C)CC2)nc2ccccn12 ZINC000585100741 479282774 /nfs/dbraw/zinc/28/27/74/479282774.db2.gz VCFKWYFVSOMCOZ-LJQANCHMSA-N 0 3 326.444 2.620 40 0 EFABHN CC[N@H+](C)C[C@H]1CC2(CO1)CCN(C(=O)c1cc(C)ccc1[O-])CC2 ZINC000585103005 479284641 /nfs/dbraw/zinc/28/46/41/479284641.db2.gz BAJJCAHTEODVBK-MRXNPFEDSA-N 0 3 346.471 2.664 40 0 EFABHN CC[N@@H+](C)C[C@H]1CC2(CO1)CCN(C(=O)c1cc(C)ccc1[O-])CC2 ZINC000585103005 479284644 /nfs/dbraw/zinc/28/46/44/479284644.db2.gz BAJJCAHTEODVBK-MRXNPFEDSA-N 0 3 346.471 2.664 40 0 EFABHN Cc1ccccc1CN1CCOC[C@@]2(CC(=O)N(CC(C)C)C2)C1 ZINC000585104360 479285949 /nfs/dbraw/zinc/28/59/49/479285949.db2.gz LCMDMFXSHBOPAJ-FQEVSTJZSA-N 0 3 330.472 2.702 40 0 EFABHN Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CN2CCC(C)C)C1 ZINC000585107916 479286983 /nfs/dbraw/zinc/28/69/83/479286983.db2.gz FOHHLIJOUQITCQ-IAGOWNOFSA-N 0 3 336.501 2.736 40 0 EFABHN CC(C)N1CCN([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 ZINC000585284432 479308077 /nfs/dbraw/zinc/30/80/77/479308077.db2.gz IKZJHUWMUVUTPR-IPMKNSEASA-N 0 3 336.451 2.513 40 0 EFABHN O[C@]1(COc2ccc(F)c(F)c2)COCCN(C2CCCCC2)C1 ZINC000585281127 479308098 /nfs/dbraw/zinc/30/80/98/479308098.db2.gz FFRLDMJNUJRECI-SFHVURJKSA-N 0 3 341.398 2.740 40 0 EFABHN O[C@]1(COc2ccc(F)c(Cl)c2)COCCN(C2CCCC2)C1 ZINC000585281773 479308361 /nfs/dbraw/zinc/30/83/61/479308361.db2.gz APLFVKRCCBRCQI-KRWDZBQOSA-N 0 3 343.826 2.864 40 0 EFABHN CN(C)C/C=C/C(=O)N1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]2C1 ZINC000585290110 479310562 /nfs/dbraw/zinc/31/05/62/479310562.db2.gz SGFYTYNGABEGDP-YEOQHMQRSA-N 0 3 328.456 2.558 40 0 EFABHN Cc1[nH]ncc1CNC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000612834613 479776543 /nfs/dbraw/zinc/77/65/43/479776543.db2.gz WTOJVLRPYZFXIE-UHFFFAOYSA-N 0 3 338.415 2.684 40 0 EFABHN CCn1cc(C(=O)N2CC[C@@H](c3cc(N(C)C)cc(C)n3)C2)c(C)n1 ZINC000257221530 536029871 /nfs/dbraw/zinc/02/98/71/536029871.db2.gz DPLGSOYQYZVFPM-OAHLLOKOSA-N 0 3 341.459 2.611 40 0 EFABHN CCC(C)(C)N1CCN(C(=O)N[C@H](C)CC2CCOCC2)CC1 ZINC000585091038 546371028 /nfs/dbraw/zinc/37/10/28/546371028.db2.gz NHMCDJGCMLXHMS-OAHLLOKOSA-N 0 3 325.497 2.707 40 0 EFABHN CC(C)OCCCN[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1=O ZINC000017084934 1099328920 /nfs/dbraw/zinc/32/89/20/1099328920.db2.gz QQGIRFUVNRRIQV-QGZVFWFLSA-N 0 3 332.444 2.847 40 0 EFABHN CN(C)CCn1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000173929575 231073367 /nfs/dbraw/zinc/07/33/67/231073367.db2.gz YIGDQVPYCDZSSH-CYBMUJFWSA-N 0 3 333.461 2.875 40 0 EFABHN Cc1ncsc1CN1C[C@@H](Nc2ccccn2)[C@H]2OCCC[C@H]2C1 ZINC000097953507 219063910 /nfs/dbraw/zinc/06/39/10/219063910.db2.gz LRYJCRAMEBDRJN-DAYGRLMNSA-N 0 3 344.484 2.938 40 0 EFABHN CCN1CC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000003635095 210068664 /nfs/dbraw/zinc/06/86/64/210068664.db2.gz LINSZIYEKJQFMG-GOSISDBHSA-N 0 3 325.408 2.560 40 0 in-vitro EFABHN O=C(Nc1ccc2nncn2c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000179628446 233254336 /nfs/dbraw/zinc/25/43/36/233254336.db2.gz BOEDAPMTJQUYTO-INIZCTEOSA-N 0 3 335.411 2.580 40 0 EFABHN CCN1CCN(Cc2ccc(CNC(=O)CCC(C)C)cc2)CC1 ZINC000040115275 213268636 /nfs/dbraw/zinc/26/86/36/213268636.db2.gz CNAFBEXFRXBWOE-UHFFFAOYSA-N 0 3 331.504 2.877 40 0 EFABHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1Cc2ccccc2O1 ZINC000040013511 213249615 /nfs/dbraw/zinc/24/96/15/213249615.db2.gz BDNZQEFXDKBMTH-UYAOXDASSA-N 0 3 336.435 2.943 40 0 EFABHN C[C@H](CN[C@H](c1ccccc1)c1ccc(F)cn1)N1CCN(C)CC1 ZINC000183558262 235138948 /nfs/dbraw/zinc/13/89/48/235138948.db2.gz LTUVGCQXJXZCKZ-OXQOHEQNSA-N 0 3 342.462 2.536 40 0 EFABHN CN(C)Cc1ccc(CNC(=O)N2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000187263941 236161696 /nfs/dbraw/zinc/16/16/96/236161696.db2.gz VPFLNZXZNNKYPO-IBGZPJMESA-N 0 3 345.487 2.849 40 0 EFABHN Cc1ccccc1OCC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000070928483 215724370 /nfs/dbraw/zinc/72/43/70/215724370.db2.gz DBTAVVGPUTZRKS-UHFFFAOYSA-N 0 3 339.439 2.802 40 0 EFABHN Cc1nccn1-c1cncc([C@@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072355422 216164976 /nfs/dbraw/zinc/16/49/76/216164976.db2.gz DPSMOCSTKPTINE-MRXNPFEDSA-N 0 3 334.427 2.745 40 0 EFABHN Cc1nccn1-c1nccnc1[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000072350564 216161666 /nfs/dbraw/zinc/16/16/66/216161666.db2.gz LSIKAEWBUTWBDU-MRXNPFEDSA-N 0 3 334.427 2.745 40 0 EFABHN CCc1nccn1-c1cncc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072355435 216163856 /nfs/dbraw/zinc/16/38/56/216163856.db2.gz ODWUFHNZWHXGQD-QGZVFWFLSA-N 0 3 348.454 2.999 40 0 EFABHN Cc1cc(C(=O)NCCc2ccccc2)nc(C2CCN(C)CC2)n1 ZINC000072365771 216172230 /nfs/dbraw/zinc/17/22/30/216172230.db2.gz MSEGTOHPHVUEGY-UHFFFAOYSA-N 0 3 338.455 2.567 40 0 EFABHN Cc1nccc(C2(C)CCN(C(=O)[C@@]3(C)CCCCN3C)CC2)n1 ZINC000072367339 216175157 /nfs/dbraw/zinc/17/51/57/216175157.db2.gz BFSHSFWPKRWPTD-LJQANCHMSA-N 0 3 330.476 2.540 40 0 EFABHN CC(C)(N)C(=O)N1CCC[C@@H]1c1cncc(Oc2ccc(F)cc2)n1 ZINC000072384390 216185753 /nfs/dbraw/zinc/18/57/53/216185753.db2.gz ACKGNGQNOTZINI-OAHLLOKOSA-N 0 3 344.390 2.809 40 0 EFABHN CNCC(=O)N1CCCC[C@H]1c1nc(C)cc(Oc2ccccc2)n1 ZINC000072384513 216185858 /nfs/dbraw/zinc/18/58/58/216185858.db2.gz XCXVRLPWQMGBEB-INIZCTEOSA-N 0 3 340.427 2.850 40 0 EFABHN Cc1ncc(CN2Cc3ccccc3OC3(CCN(C)CC3)C2)n1C ZINC000072394181 216192120 /nfs/dbraw/zinc/19/21/20/216192120.db2.gz JFGRJNGVMQOZAP-UHFFFAOYSA-N 0 3 340.471 2.588 40 0 EFABHN CN(C)CCN(C)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000129771466 223090288 /nfs/dbraw/zinc/09/02/88/223090288.db2.gz YKDWXLJRCRRJQD-UHFFFAOYSA-N 0 3 339.852 2.884 40 0 EFABHN CN(C)CCN(Cc1cccc(F)c1)C(=O)CSc1ccncc1 ZINC000065940349 238783825 /nfs/dbraw/zinc/78/38/25/238783825.db2.gz TVUPFZBIHHDWQJ-UHFFFAOYSA-N 0 3 347.459 2.903 40 0 EFABHN CCN1CCN(CCC(=O)NC(C)(C)c2ccc(Cl)cc2)CC1 ZINC000073309102 216376412 /nfs/dbraw/zinc/37/64/12/216376412.db2.gz BHVNZKMAUFNESQ-UHFFFAOYSA-N 0 3 337.895 2.719 40 0 EFABHN Cc1ccc(OCC(=O)NCC2CCN(Cc3ccco3)CC2)cc1 ZINC000023016758 212342757 /nfs/dbraw/zinc/34/27/57/212342757.db2.gz CXVYFWJIOPGYLI-UHFFFAOYSA-N 0 3 342.439 2.995 40 0 EFABHN COc1ccc([C@@H](C)NCC(C)(C)C(N)=O)c(Br)c1 ZINC000195558775 241006107 /nfs/dbraw/zinc/00/61/07/241006107.db2.gz OARJPKQSLMKIRE-SECBINFHSA-N 0 3 329.238 2.620 40 0 EFABHN Clc1ccc(Cc2nsc(N3CCNCC3)n2)c(Cl)c1 ZINC000216642126 241202350 /nfs/dbraw/zinc/20/23/50/241202350.db2.gz OHNITFBLCPCUFJ-UHFFFAOYSA-N 0 3 329.256 2.845 40 0 EFABHN CCOc1ccc(CN[C@@H]2CCCN(c3ncccn3)C2)cc1F ZINC000253430776 243981902 /nfs/dbraw/zinc/98/19/02/243981902.db2.gz OAHYVPQPFBBVSG-OAHLLOKOSA-N 0 3 330.407 2.773 40 0 EFABHN c1cc2n(c1)C[C@@H](Oc1cccnc1)CN(CC1CCOCC1)C2 ZINC000253588732 244025802 /nfs/dbraw/zinc/02/58/02/244025802.db2.gz QCWLEARSAIQIRU-IBGZPJMESA-N 0 3 327.428 2.573 40 0 EFABHN C[C@@H]1CN(Cc2ccoc2)CC[C@@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000253603156 244034622 /nfs/dbraw/zinc/03/46/22/244034622.db2.gz BNZWGNPSEMERGT-LJHODMEESA-N 0 3 332.444 2.565 40 0 EFABHN CNc1cc(C)nc([C@H]2CN(C(=O)c3cc(F)ccc3F)CCO2)c1 ZINC000257217818 244174294 /nfs/dbraw/zinc/17/42/94/244174294.db2.gz DATJJRBSFWXTLU-QGZVFWFLSA-N 0 3 347.365 2.924 40 0 EFABHN CN1CCN(Cc2cc[nH]n2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257217577 244174786 /nfs/dbraw/zinc/17/47/86/244174786.db2.gz CZOFTVGFBCCRHA-INIZCTEOSA-N 0 3 335.455 2.564 40 0 EFABHN Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)n1 ZINC000257219600 244176573 /nfs/dbraw/zinc/17/65/73/244176573.db2.gz DHJJAVJQAQPJLU-CQSZACIVSA-N 0 3 340.427 2.951 40 0 EFABHN Cc1cc(-c2nccn2C)nc([C@H]2CCN(Cc3cccnc3)C2)n1 ZINC000257211195 244150014 /nfs/dbraw/zinc/15/00/14/244150014.db2.gz BXWAXMIICHGLME-INIZCTEOSA-N 0 3 334.427 2.570 40 0 EFABHN COCCN1CCC[C@@H](c2nccnc2-c2ccnn2C(C)C)C1 ZINC000257212502 244154456 /nfs/dbraw/zinc/15/44/56/244154456.db2.gz CDSJSJRLMWENSN-OAHLLOKOSA-N 0 3 329.448 2.747 40 0 EFABHN CC(=O)NCc1cncc([C@H]2CCCN2Cc2cccc3[nH]ccc32)n1 ZINC000257222855 244192179 /nfs/dbraw/zinc/19/21/79/244192179.db2.gz DUXKFEORDBMEAT-HXUWFJFHSA-N 0 3 349.438 2.931 40 0 EFABHN Cc1cnccc1CN1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257231454 244212341 /nfs/dbraw/zinc/21/23/41/244212341.db2.gz GGTSFUMZKAJSRB-KRWDZBQOSA-N 0 3 336.439 2.729 40 0 EFABHN CCOc1ccc(CN2CCC[C@@H](Cc3cc[nH]n3)C2)cc1CO ZINC000257221536 244184649 /nfs/dbraw/zinc/18/46/49/244184649.db2.gz DPMIWJCHCQIHNU-HNNXBMFYSA-N 0 3 329.444 2.755 40 0 EFABHN CNc1cc(C)nc([C@H]2CCN(C(=O)COc3cccc(F)c3)C2)c1 ZINC000257246812 244258436 /nfs/dbraw/zinc/25/84/36/244258436.db2.gz IVYAJHXIKBUBGE-AWEZNQCLSA-N 0 3 343.402 2.966 40 0 EFABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 ZINC000257246388 244258702 /nfs/dbraw/zinc/25/87/02/244258702.db2.gz ITYANZLAIPRJQX-KRWDZBQOSA-N 0 3 345.468 2.660 40 0 EFABHN c1ncc(CN2CCC(c3ccnc(Nc4ncccn4)c3)CC2)[nH]1 ZINC000257249009 244264248 /nfs/dbraw/zinc/26/42/48/244264248.db2.gz JGHHRMRVUBQYES-UHFFFAOYSA-N 0 3 335.415 2.718 40 0 EFABHN Cc1ncsc1CN1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257249262 244265741 /nfs/dbraw/zinc/26/57/41/244265741.db2.gz JHMYVFMYCBMQQB-CQSZACIVSA-N 0 3 340.456 2.807 40 0 EFABHN Cc1noc(C)c1C(=O)N1CC[C@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257258241 244288287 /nfs/dbraw/zinc/28/82/87/244288287.db2.gz KSYHNHXOHGVHSH-AWEZNQCLSA-N 0 3 328.416 2.691 40 0 EFABHN Cc1c[nH]c(-c2cncc(C[C@@H]3CCN(Cc4cncs4)C3)n2)n1 ZINC000257266394 244363314 /nfs/dbraw/zinc/36/33/14/244363314.db2.gz MCVFXAVEFZOOAX-ZDUSSCGKSA-N 0 3 340.456 2.696 40 0 EFABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)Cc3cccs3)CCO2)n1 ZINC000257269368 244369830 /nfs/dbraw/zinc/36/98/30/244369830.db2.gz MPQZJMLSZKQXRK-QGZVFWFLSA-N 0 3 345.468 2.660 40 0 EFABHN Cc1nccc([C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257270328 244373213 /nfs/dbraw/zinc/37/32/13/244373213.db2.gz MTTGXBARHUWZJF-MRXNPFEDSA-N 0 3 325.412 2.936 40 0 EFABHN Cc1nccc([C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257270327 244374457 /nfs/dbraw/zinc/37/44/57/244374457.db2.gz MTTGXBARHUWZJF-INIZCTEOSA-N 0 3 325.412 2.936 40 0 EFABHN CC(=O)N1CC2(CCN(Cc3ccc(C)cc3)CC2)C[C@H](O)C1(C)C ZINC000257264480 244355232 /nfs/dbraw/zinc/35/52/32/244355232.db2.gz LUNXAYSRMZTAIM-IBGZPJMESA-N 0 3 344.499 2.969 40 0 EFABHN NC(=O)[C@]1(CCCc2ccccn2)CCCN(Cc2ccccn2)C1 ZINC000257265021 244358059 /nfs/dbraw/zinc/35/80/59/244358059.db2.gz LWYTYQRXSOZCMB-HXUWFJFHSA-N 0 3 338.455 2.567 40 0 EFABHN CCOc1ccc(CN2CCC[C@@H](c3cnccn3)C2)cc1CO ZINC000257273604 244386667 /nfs/dbraw/zinc/38/66/67/244386667.db2.gz NHJAJXXFUUUMAJ-MRXNPFEDSA-N 0 3 327.428 2.747 40 0 EFABHN Cc1ncsc1CN1CC[C@@H](Cc2nccnc2-c2ncc[nH]2)C1 ZINC000257274177 244389310 /nfs/dbraw/zinc/38/93/10/244389310.db2.gz NJWKJZBQNWMLNL-ZDUSSCGKSA-N 0 3 340.456 2.696 40 0 EFABHN Cc1cc(N)cc([C@H]2CN(C(=O)CCc3ccccc3F)CCO2)n1 ZINC000257274799 244389811 /nfs/dbraw/zinc/38/98/11/244389811.db2.gz NMRVUPVHJVXVMM-GOSISDBHSA-N 0 3 343.402 2.644 40 0 EFABHN Cn1ccc(C(=O)N2[C@H](c3ccccc3)C[C@@H]3[C@@H]2CCCCN3C)n1 ZINC000257277919 244398439 /nfs/dbraw/zinc/39/84/39/244398439.db2.gz OABCOAMTAKXMPH-GBESFXJTSA-N 0 3 338.455 2.860 40 0 EFABHN Cn1cccc1C(=O)N1CCC[C@@H]1c1ccnc(CN2CCCC2)c1 ZINC000257279083 244399997 /nfs/dbraw/zinc/39/99/97/244399997.db2.gz OEYPCHDMKQSEFJ-GOSISDBHSA-N 0 3 338.455 2.993 40 0 EFABHN CC(=O)N1CC2(CCN(Cc3cccc(C)c3)CC2)C[C@@H](O)C1(C)C ZINC000257310137 244491102 /nfs/dbraw/zinc/49/11/02/244491102.db2.gz UDUSGEKSSCKCTJ-LJQANCHMSA-N 0 3 344.499 2.969 40 0 EFABHN CCN(C(=O)OC(C)(C)C)C1CCC(NC(=O)[C@@H](N)C(C)C)CC1 ZINC000079410209 284193130 /nfs/dbraw/zinc/19/31/30/284193130.db2.gz ZGUQEAYRRWXYIK-NRXISQOPSA-N 0 3 341.496 2.654 40 0 EFABHN CN1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)C2CCCCC2)C3)C1 ZINC000019588548 212049327 /nfs/dbraw/zinc/04/93/27/212049327.db2.gz BXYSHAVMXAXDPP-MRXNPFEDSA-N 0 3 342.487 2.751 40 0 EFABHN Cc1noc(C)c1CCNCc1cc(-c2ccccc2)cn2nnnc12 ZINC000019580868 212047538 /nfs/dbraw/zinc/04/75/38/212047538.db2.gz WXPYNGGTTOYYCH-UHFFFAOYSA-N 0 3 348.410 2.728 40 0 EFABHN COc1cccc(C[N@@H+]2CCC[C@H](c3nc(C)c(C)c(=O)[n-]3)C2)c1 ZINC000019555394 212040582 /nfs/dbraw/zinc/04/05/82/212040582.db2.gz YZOYXAIZQVCKSL-INIZCTEOSA-N 0 3 327.428 2.775 40 0 EFABHN COc1ccc(CN2CC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1 ZINC000019554935 212041667 /nfs/dbraw/zinc/04/16/67/212041667.db2.gz UZOCJEHNEOCOMC-AWEZNQCLSA-N 0 3 337.383 2.525 40 0 EFABHN COc1ccc(CN2CC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc1 ZINC000019554932 212041676 /nfs/dbraw/zinc/04/16/76/212041676.db2.gz UZOCJEHNEOCOMC-CQSZACIVSA-N 0 3 337.383 2.525 40 0 EFABHN COc1cccc(C[N@H+]2CCC[C@H](c3nc(C)c(C)c(=O)[n-]3)C2)c1 ZINC000019555394 212040585 /nfs/dbraw/zinc/04/05/85/212040585.db2.gz YZOYXAIZQVCKSL-INIZCTEOSA-N 0 3 327.428 2.775 40 0 EFABHN CCc1nnsc1C(=O)N1CCCC[C@@H]1CN1CCCCCC1 ZINC000019521867 212036483 /nfs/dbraw/zinc/03/64/83/212036483.db2.gz SXBMFYYKBOURJD-CQSZACIVSA-N 0 3 336.505 2.971 40 0 EFABHN OC1(Cn2ccc3ccncc32)C[C@H]2CC[C@@H](C1)N2Cc1ccncc1 ZINC000019405148 212026072 /nfs/dbraw/zinc/02/60/72/212026072.db2.gz AORNWPYYYOKQFM-PMSBKCLSSA-N 0 3 348.450 2.989 40 0 EFABHN O=C(CCC1CCCC1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019292346 212012098 /nfs/dbraw/zinc/01/20/98/212012098.db2.gz KMBNQJDLHVMUNQ-QGZVFWFLSA-N 0 3 328.460 2.756 40 0 EFABHN O=C(CCC1CCCC1)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019292301 212011643 /nfs/dbraw/zinc/01/16/43/212011643.db2.gz YCDPYPQBYULDJF-MRXNPFEDSA-N 0 3 342.487 2.799 40 0 EFABHN COc1ccccc1CN1CCC(c2nn(C)c3nccnc23)CC1 ZINC000019289452 212011383 /nfs/dbraw/zinc/01/13/83/212011383.db2.gz SAESXELSCSOUJB-UHFFFAOYSA-N 0 3 337.427 2.752 40 0 EFABHN Cc1nc([C@@H]2CC[N@H+](Cc3ccccc3N3CCCC3)C2)cc(=O)[n-]1 ZINC000019285271 212010218 /nfs/dbraw/zinc/01/02/18/212010218.db2.gz RNARUPPGFFIUQF-MRXNPFEDSA-N 0 3 338.455 2.668 40 0 EFABHN Cc1nc([C@@H]2CC[N@@H+](Cc3ccccc3N3CCCC3)C2)cc(=O)[n-]1 ZINC000019285271 212010221 /nfs/dbraw/zinc/01/02/21/212010221.db2.gz RNARUPPGFFIUQF-MRXNPFEDSA-N 0 3 338.455 2.668 40 0 EFABHN Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCCN(C)C3)on2)cc1 ZINC000019212264 212003992 /nfs/dbraw/zinc/00/39/92/212003992.db2.gz LMHQLQPXWJSFHD-HXUWFJFHSA-N 0 3 341.455 2.993 40 0 EFABHN CCS[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000078289474 217038782 /nfs/dbraw/zinc/03/87/82/217038782.db2.gz SPLRMTLHHABSJG-JKSUJKDBSA-N 0 3 325.522 2.977 40 0 EFABHN CC(C)c1nn(C)cc1CNCCc1cc(F)cc2c1OCOC2 ZINC000078552736 217074096 /nfs/dbraw/zinc/07/40/96/217074096.db2.gz QDCHOBZYPLFREN-UHFFFAOYSA-N 0 3 333.407 2.881 40 0 EFABHN Fc1ccc(OCCNCc2c[nH]nc2-c2cccnc2)c(F)c1 ZINC000078604177 217085651 /nfs/dbraw/zinc/08/56/51/217085651.db2.gz ILJSHTNXWXCYKI-UHFFFAOYSA-N 0 3 330.338 2.919 40 0 EFABHN Cc1csc(=O)n1CCN1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000078776780 217119615 /nfs/dbraw/zinc/11/96/15/217119615.db2.gz ZARGOPYAOVGVTO-AWEZNQCLSA-N 0 3 342.468 2.974 40 0 EFABHN CN(C)CCOc1ccc(NC(=O)CCCc2ccccn2)cc1 ZINC000079039351 217180018 /nfs/dbraw/zinc/18/00/18/217180018.db2.gz VOJMGKDUIACNQS-UHFFFAOYSA-N 0 3 327.428 2.983 40 0 EFABHN CCN1CCN(CCC(=O)N[C@H](CC(C)C)c2ccccc2)CC1 ZINC000079336610 217211703 /nfs/dbraw/zinc/21/17/03/217211703.db2.gz LAEKXBIFWWJFMG-LJQANCHMSA-N 0 3 331.504 2.918 40 0 EFABHN CC(C)[C@H](N)C(=O)N(C(C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404713 217220222 /nfs/dbraw/zinc/22/02/22/217220222.db2.gz OJCKWVXKICVMSX-OALUTQOASA-N 0 3 331.504 2.871 40 0 EFABHN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[C@@]2(CCOC2)C1 ZINC000110677960 220055824 /nfs/dbraw/zinc/05/58/24/220055824.db2.gz DAXGSWATMUXOHS-KBXCAEBGSA-N 0 3 336.863 2.972 40 0 EFABHN O=C(OCc1ccccc1)N(C[C@@H]1CCCCN1CCO)C1CC1 ZINC000079411277 217222211 /nfs/dbraw/zinc/22/22/11/217222211.db2.gz DPUUHHOOVQEUHA-SFHVURJKSA-N 0 3 332.444 2.634 40 0 EFABHN O=c1[nH]c2cc3c(cc2cc1CNCc1cccs1)OCCO3 ZINC000012468846 211391023 /nfs/dbraw/zinc/39/10/23/211391023.db2.gz KCEQLCUAYAAPRN-UHFFFAOYSA-N 0 3 328.393 2.651 40 0 EFABHN COc1ccccc1C1(O)CCN(C[C@H](O)c2ccccc2)CC1 ZINC000012292059 211335186 /nfs/dbraw/zinc/33/51/86/211335186.db2.gz JCYMBCOSAJUFNZ-SFHVURJKSA-N 0 3 327.424 2.712 40 0 EFABHN COc1ccc(CN2CCC(O)(c3ccc(F)cc3)CC2)cc1CO ZINC000012240623 211328444 /nfs/dbraw/zinc/32/84/44/211328444.db2.gz YBIHKFLXNQZJAL-UHFFFAOYSA-N 0 3 345.414 2.810 40 0 EFABHN CN(C)CCNC(=O)Cn1c(-c2ccc(F)cc2)cc2cccnc21 ZINC000012222342 211324094 /nfs/dbraw/zinc/32/40/94/211324094.db2.gz NOBZSWGIAUWDDC-UHFFFAOYSA-N 0 3 340.402 2.520 40 0 EFABHN CN(C)CCN(Cc1cccnc1)C(=O)Cc1ccc2c(c1)CCC2 ZINC000012222337 211324013 /nfs/dbraw/zinc/32/40/13/211324013.db2.gz IIRDCWGYNXLUHK-UHFFFAOYSA-N 0 3 337.467 2.703 40 0 EFABHN Cc1ccc(C2(CN3CCC(NC(=O)c4ccn[nH]4)CC3)CC2)cc1 ZINC000012221547 211323735 /nfs/dbraw/zinc/32/37/35/211323735.db2.gz SUSMYTIBLBKCQW-UHFFFAOYSA-N 0 3 338.455 2.644 40 0 EFABHN CCN1C[C@@H](CN(C)Cc2ccc(C(N)=O)cc2)Oc2ccccc21 ZINC000011193488 211207472 /nfs/dbraw/zinc/20/74/72/211207472.db2.gz YKDVUZHKLYDKEH-QGZVFWFLSA-N 0 3 339.439 2.505 40 0 EFABHN CN(C)C/C=C/C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000095399345 218333046 /nfs/dbraw/zinc/33/30/46/218333046.db2.gz GFFXIDLJXINFSO-IZZDOVSWSA-N 0 3 348.450 2.819 40 0 EFABHN CC[C@H](COc1ccccc1)NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000095409686 218346139 /nfs/dbraw/zinc/34/61/39/218346139.db2.gz ZJEVVRJGGITSDO-LZLYRXPVSA-N 0 3 333.476 2.826 40 0 EFABHN Cc1nc(-c2ccccc2NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)no1 ZINC000095418297 218357598 /nfs/dbraw/zinc/35/75/98/218357598.db2.gz NAZLVLZCJLFUDR-BLLLJJGKSA-N 0 3 343.431 2.849 40 0 EFABHN O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NC1(CO)CCCC1 ZINC000095416121 218354810 /nfs/dbraw/zinc/35/48/10/218354810.db2.gz KMSZOKWMQNOQEX-GOSISDBHSA-N 0 3 345.487 2.503 40 0 EFABHN Cc1cc([C@](C)(O)CN[C@@H](C)CC(=O)N2CCCCCC2)c(C)o1 ZINC000095423152 218365517 /nfs/dbraw/zinc/36/55/17/218365517.db2.gz AOHFCWQZFRMTTR-IFXJQAMLSA-N 0 3 336.476 2.875 40 0 EFABHN COc1ccc(C[C@H](C)CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000095443580 218388175 /nfs/dbraw/zinc/38/81/75/218388175.db2.gz GCBRCEYZHIMEER-BXWFABGCSA-N 0 3 347.503 2.855 40 0 EFABHN O=C(c1ccn2cncc2c1)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000095449972 218393678 /nfs/dbraw/zinc/39/36/78/218393678.db2.gz PKBWHFFDGCXKDD-GOSISDBHSA-N 0 3 334.423 2.729 40 0 EFABHN O=C1NC2(C[C@H]1c1ccncc1)CCN(Cc1ccsc1)CC2 ZINC000096061396 218554846 /nfs/dbraw/zinc/55/48/46/218554846.db2.gz BHPQAPLDDCIEPH-INIZCTEOSA-N 0 3 327.453 2.781 40 0 EFABHN Fc1ccc(-c2cnc3n2C[C@H](CNCc2cccnc2)OC3)cc1 ZINC000096112938 218609323 /nfs/dbraw/zinc/60/93/23/218609323.db2.gz DFYLVNIGCPSMRA-KRWDZBQOSA-N 0 3 338.386 2.773 40 0 biogenic,in-vitro EFABHN O=C1NC2(C[C@@H]1c1ccncc1)CCN(Cc1ccsc1)CC2 ZINC000096061397 284873547 /nfs/dbraw/zinc/87/35/47/284873547.db2.gz BHPQAPLDDCIEPH-MRXNPFEDSA-N 0 3 327.453 2.781 40 0 EFABHN CCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)[C@@H](N)C(C)C ZINC000079391436 285022600 /nfs/dbraw/zinc/02/26/00/285022600.db2.gz GSXPGGCODLWPEZ-GJZGRUSLSA-N 0 3 341.496 2.608 40 0 EFABHN Cc1c(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cnc2ccccc12 ZINC000096451256 218834301 /nfs/dbraw/zinc/83/43/01/218834301.db2.gz GYGHFXWCBBYKQR-INIZCTEOSA-N 0 3 341.455 2.726 40 0 EFABHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccc(Cl)cn1 ZINC000096461398 218844257 /nfs/dbraw/zinc/84/42/57/218844257.db2.gz HBLSBOZBVWEVCR-UHFFFAOYSA-N 0 3 345.830 2.944 40 0 EFABHN CC[C@H](N[C@H](C)c1ccc(-n2cnnn2)cc1)c1c(C)nn(C)c1C ZINC000096478762 218855301 /nfs/dbraw/zinc/85/53/01/218855301.db2.gz MRWPCYJNPIGPPW-PXAZEXFGSA-N 0 3 339.447 2.815 40 0 EFABHN Cc1cc(NC(=O)CN[C@@H](C)c2cccc(N3CCCC3)c2)n(C)n1 ZINC000096492408 218869486 /nfs/dbraw/zinc/86/94/86/218869486.db2.gz LNGRJKGKRXRYKV-HNNXBMFYSA-N 0 3 341.459 2.618 40 0 EFABHN C[C@@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCN(c2ccccc2)C1 ZINC000097375068 219018133 /nfs/dbraw/zinc/01/81/33/219018133.db2.gz CFSOAKNTEIODJR-IRXDYDNUSA-N 0 3 344.480 2.717 40 0 EFABHN Cn1ccc(NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)n1 ZINC000119155142 221254648 /nfs/dbraw/zinc/25/46/48/221254648.db2.gz MQLFCHFLQIMXGN-UHFFFAOYSA-N 0 3 343.431 2.929 40 0 EFABHN COc1ccc([C@H](NC(=O)NC2CCN(C)CC2)C(F)(F)F)cc1 ZINC000155145782 224366041 /nfs/dbraw/zinc/36/60/41/224366041.db2.gz DGYTYUKWGYRGKN-AWEZNQCLSA-N 0 3 345.365 2.692 40 0 EFABHN COC[C@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218048968 285483575 /nfs/dbraw/zinc/48/35/75/285483575.db2.gz MANRXEBQSVJHMS-GBESFXJTSA-N 0 3 345.464 2.526 40 0 EFABHN O=C(NC[C@@H]1CC=CCC1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000096487010 544558972 /nfs/dbraw/zinc/55/89/72/544558972.db2.gz QRBFSADNDKLRRE-QGZVFWFLSA-N 0 3 342.483 2.977 40 0 EFABHN CN1CCC2(CC1)C[C@@H](NC(=O)Cc1ccoc1)c1ccccc1O2 ZINC000129470664 544646420 /nfs/dbraw/zinc/64/64/20/544646420.db2.gz MWXZRKZHQVTFIO-QGZVFWFLSA-N 0 3 340.423 2.927 40 0 EFABHN COCCN1CC[C@]2(C1)COCc1c(C)nc(-c3ccccc3)nc12 ZINC000096244677 274033354 /nfs/dbraw/zinc/03/33/54/274033354.db2.gz AJPVFRMOEPRZGM-FQEVSTJZSA-N 0 3 339.439 2.572 40 0 EFABHN COc1cc2c(c(OC)c1OC)CCN(Cc1ccncc1)CC2 ZINC000253418783 274100791 /nfs/dbraw/zinc/10/07/91/274100791.db2.gz VDLDBGXTSVFKOH-UHFFFAOYSA-N 0 3 328.412 2.708 40 0 EFABHN O[C@@H](CN1CCCN(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000019656844 275051039 /nfs/dbraw/zinc/05/10/39/275051039.db2.gz ZELPTZHGNDWTRR-KRWDZBQOSA-N 0 3 331.847 2.981 40 0 EFABHN Brc1cnc(N2CCC[C@@H]2CN2CCCCC2)nc1 ZINC000097102092 275376243 /nfs/dbraw/zinc/37/62/43/275376243.db2.gz RCAJKOGSLSETGC-CYBMUJFWSA-N 0 3 325.254 2.694 40 0 EFABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CN)c2cccc(Cl)c2)C1 ZINC000035622926 275523245 /nfs/dbraw/zinc/52/32/45/275523245.db2.gz HLKRLEGOUNMEFF-GJZGRUSLSA-N 0 3 339.867 2.939 40 0 EFABHN CCCC(=O)N[C@@H]1CC2(CCN(CCOC)CC2)Oc2ccccc21 ZINC000096242759 276224005 /nfs/dbraw/zinc/22/40/05/276224005.db2.gz DKIGCUVYKCPDRV-QGZVFWFLSA-N 0 3 346.471 2.908 40 0 EFABHN CCS(=O)(=O)N1CC2(CCN(CC3CC3)CC2)c2ccccc21 ZINC000096241361 276390098 /nfs/dbraw/zinc/39/00/98/276390098.db2.gz XQHLQFRTEXVKHD-UHFFFAOYSA-N 0 3 334.485 2.600 40 0 EFABHN CN1CCC2(CC1)C[C@@H](NC(=O)c1ccncc1)c1ccccc1O2 ZINC000096242696 277035515 /nfs/dbraw/zinc/03/55/15/277035515.db2.gz FUERKZOBMNDWTN-QGZVFWFLSA-N 0 3 337.423 2.800 40 0 EFABHN CC(=O)c1c(F)cc(F)cc1OC[C@@H](O)CN1CCC(C)CC1 ZINC000095439112 277102518 /nfs/dbraw/zinc/10/25/18/277102518.db2.gz MHRWLYGZIWETLC-AWEZNQCLSA-N 0 3 327.371 2.639 40 0 EFABHN CN1CC[C@]2(CN(Cc3nccs3)C[C@H]2c2ccccc2)C1=O ZINC000096201843 277186858 /nfs/dbraw/zinc/18/68/58/277186858.db2.gz CWFQEGODXIPTIU-MAUKXSAKSA-N 0 3 327.453 2.591 40 0 EFABHN COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCc2ccc(Cl)cc2)cc1 ZINC000077261897 277430388 /nfs/dbraw/zinc/43/03/88/277430388.db2.gz XSHHHLLUBSGLSI-NCXUSEDFSA-N 0 3 347.842 2.716 40 0 biogenic,in-vitro EFABHN COc1ccc(CNC[C@H]2COCc3nc4cc(C)ccc4n32)cn1 ZINC000096112822 277896615 /nfs/dbraw/zinc/89/66/15/277896615.db2.gz MSFVSJAVXXBNSB-HNNXBMFYSA-N 0 3 338.411 2.609 40 0 biogenic,in-vitro EFABHN COc1cccc(CN2CCC3(CC2)OCCc2cnc(C)nc23)c1 ZINC000012126178 278010345 /nfs/dbraw/zinc/01/03/45/278010345.db2.gz IQFRKIRLEPCKSY-UHFFFAOYSA-N 0 3 339.439 2.858 40 0 EFABHN CC(C)(C)OC(=O)N1CCN([C@H](CN)c2ccc(Cl)cc2)CC1 ZINC000020179272 278400179 /nfs/dbraw/zinc/40/01/79/278400179.db2.gz ZDRIFGCXKYIGRW-OAHLLOKOSA-N 0 3 339.867 2.893 40 0 EFABHN CN1CN(c2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O ZINC000001698079 290259805 /nfs/dbraw/zinc/25/98/05/290259805.db2.gz UYFYPEANMLJLKO-UHFFFAOYSA-N 0 3 335.451 2.957 40 0 EFABHN Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223253006 302312171 /nfs/dbraw/zinc/31/21/71/302312171.db2.gz BWFULUAQLLIRFM-GJZGRUSLSA-N 0 3 346.525 2.986 40 0 EFABHN Cn1cc(CN2CC[C@@H]3OCCC[C@]3(COCC3CCC3)C2)cn1 ZINC000096040283 473262262 /nfs/dbraw/zinc/26/22/62/473262262.db2.gz NPZVKGKWKHXSNQ-RBUKOAKNSA-N 0 3 333.476 2.608 40 0 EFABHN O=C(NC[C@@H]1CC[C@H](O)C1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000190407325 473262530 /nfs/dbraw/zinc/26/25/30/473262530.db2.gz GXVUJKOROBPEGR-QRVBRYPASA-N 0 3 345.487 2.501 40 0 EFABHN O=C(c1cccnc1)N1CCC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096046562 473266873 /nfs/dbraw/zinc/26/68/73/473266873.db2.gz XSISIFQTPOQYPK-UHFFFAOYSA-N 0 3 325.412 2.803 40 0 EFABHN Cc1noc(C)c1CN1CCC2(CCN(c3ncccn3)C2)CC1 ZINC000096046596 473267484 /nfs/dbraw/zinc/26/74/84/473267484.db2.gz YHLQUXYWQLCLNW-UHFFFAOYSA-N 0 3 327.432 2.574 40 0 EFABHN O=C(c1cccnc1)N1CCC2(C1)CCN(Cc1ccco1)CC2 ZINC000096046560 473267499 /nfs/dbraw/zinc/26/74/99/473267499.db2.gz NSPBXMLWXNVCSS-UHFFFAOYSA-N 0 3 325.412 2.803 40 0 EFABHN CN(Cc1ccccn1)[C@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096048042 473268160 /nfs/dbraw/zinc/26/81/60/473268160.db2.gz HLVGCWYRHODOAV-GOSISDBHSA-N 0 3 341.455 2.930 40 0 EFABHN Cc1ccc(CN2CC[C@@]3(C2)CCCN(C(=O)c2cnccn2)C3)o1 ZINC000096047073 473268440 /nfs/dbraw/zinc/26/84/40/473268440.db2.gz CIKPKFPYRVMNCG-LJQANCHMSA-N 0 3 340.427 2.506 40 0 EFABHN O=C(c1cccnc1)N1CCC[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC000096047050 473268895 /nfs/dbraw/zinc/26/88/95/473268895.db2.gz WBISRNDLRVPEIE-FQEVSTJZSA-N 0 3 336.439 2.605 40 0 EFABHN O=C(c1cccnc1)N1CCC[C@]2(CCN(Cc3ccoc3)C2)C1 ZINC000096047035 473269449 /nfs/dbraw/zinc/26/94/49/473269449.db2.gz SCSXIMAXTOOFDK-LJQANCHMSA-N 0 3 325.412 2.803 40 0 EFABHN Cc1ccc(CN2CCC3(C[C@@H](CC(=O)NC(C)C)CO3)CC2)o1 ZINC000096048163 473271510 /nfs/dbraw/zinc/27/15/10/473271510.db2.gz MFBDXZISCUJJQD-MRXNPFEDSA-N 0 3 334.460 2.874 40 0 EFABHN c1cc(CN2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096048339 473271687 /nfs/dbraw/zinc/27/16/87/473271687.db2.gz YCWLQZVJFMNDNN-RDJZCZTQSA-N 0 3 330.457 2.774 40 0 EFABHN c1cc(CN2CCC[C@]3(C2)COCCN(c2cnccn2)C3)cs1 ZINC000096049627 473273452 /nfs/dbraw/zinc/27/34/52/473273452.db2.gz DVFAHDVHXIXTDY-GOSISDBHSA-N 0 3 344.484 2.657 40 0 EFABHN Cc1ccc(CN2CC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)o1 ZINC000096050506 473273983 /nfs/dbraw/zinc/27/39/83/473273983.db2.gz KQLZPUQISUJZHO-LJQANCHMSA-N 0 3 325.412 2.608 40 0 EFABHN Cc1ccc(CN2CC[C@]3(CCN(Cc4cccnc4)C3=O)C2)o1 ZINC000096050505 473274257 /nfs/dbraw/zinc/27/42/57/473274257.db2.gz KQLZPUQISUJZHO-IBGZPJMESA-N 0 3 325.412 2.608 40 0 EFABHN CC(C)CN1CCN(C)C2(CCN(Cc3ccsc3)CC2)C1=O ZINC000096050048 473274336 /nfs/dbraw/zinc/27/43/36/473274336.db2.gz CXXYWZMYSXNNFB-UHFFFAOYSA-N 0 3 335.517 2.513 40 0 EFABHN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2ccc(F)cc2)n1 ZINC000096054039 473275424 /nfs/dbraw/zinc/27/54/24/473275424.db2.gz PAUBMIAOLPNFEQ-OALUTQOASA-N 0 3 339.414 2.905 40 0 EFABHN Cn1ccc(C(=O)N[C@H]2CCC23CCN(Cc2ccoc2)CC3)c1 ZINC000096051689 473276521 /nfs/dbraw/zinc/27/65/21/473276521.db2.gz YPPRLZZLVMNLGN-KRWDZBQOSA-N 0 3 327.428 2.793 40 0 EFABHN Cc1cccc(CO[C@H]2C[C@@H]3CN(Cc4ccsc4)CCN3C2)n1 ZINC000096055075 473278363 /nfs/dbraw/zinc/27/83/63/473278363.db2.gz QZYJRGYUHLKPJL-MOPGFXCFSA-N 0 3 343.496 2.927 40 0 EFABHN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2ccc(F)cc2)n1 ZINC000096055763 473279198 /nfs/dbraw/zinc/27/91/98/473279198.db2.gz PAUBMIAOLPNFEQ-RBUKOAKNSA-N 0 3 339.414 2.905 40 0 EFABHN O=C1C[C@@H](c2ccncc2)C2(CCN(Cc3cccs3)CC2)N1 ZINC000096061542 473285230 /nfs/dbraw/zinc/28/52/30/473285230.db2.gz QRVFLJFDEZSOIU-INIZCTEOSA-N 0 3 327.453 2.781 40 0 EFABHN Cc1ccc(CN2CCc3nnc(CN(C)C(C)C)n3CC2)s1 ZINC000096058952 473283305 /nfs/dbraw/zinc/28/33/05/473283305.db2.gz SCOVDAYMOHIVCY-UHFFFAOYSA-N 0 3 333.505 2.547 40 0 EFABHN C[C@H]1CN(Cc2ccco2)CC[C@]12CC[C@@H](C(=O)N1CCCC1)O2 ZINC000096061309 473284771 /nfs/dbraw/zinc/28/47/71/473284771.db2.gz OASXTPQNZBHMCN-VDZJLULYSA-N 0 3 332.444 2.662 40 0 EFABHN O=C([C@@H]1CCC2(CCN(Cc3ccc(F)cc3)CC2)O1)N1CCCC1 ZINC000096061237 473285830 /nfs/dbraw/zinc/28/58/30/473285830.db2.gz PTGLLGMSJUYPQV-SFHVURJKSA-N 0 3 346.446 2.962 40 0 EFABHN C[C@H]1CN(Cc2ccco2)CC[C@]12CC[C@H](C(=O)N1CCCC1)O2 ZINC000096061308 473286033 /nfs/dbraw/zinc/28/60/33/473286033.db2.gz OASXTPQNZBHMCN-KVSKMBFKSA-N 0 3 332.444 2.662 40 0 EFABHN C[C@H]1N(CC2CC2)C(=O)COC12CCN(Cc1ccc(F)cc1)CC2 ZINC000096062246 473286283 /nfs/dbraw/zinc/28/62/83/473286283.db2.gz JMCNMZROIASAPI-OAHLLOKOSA-N 0 3 346.446 2.818 40 0 EFABHN CN(Cc1ccccn1)C1CC2(C1)CCN(c1ncc(F)cn1)CC2 ZINC000096063163 473286742 /nfs/dbraw/zinc/28/67/42/473286742.db2.gz QPJFZSMXPVMWMZ-UHFFFAOYSA-N 0 3 341.434 2.892 40 0 EFABHN O=C(NCc1ccco1)[C@@H]1C[C@H]2OCC[C@H]2N(Cc2ccccc2)C1 ZINC000096064944 473287578 /nfs/dbraw/zinc/28/75/78/473287578.db2.gz SIKDEQIYGYPMAA-BHIYHBOVSA-N 0 3 340.423 2.575 40 0 EFABHN Cc1ccc(CN2CC[C@@H](F)[C@]3(CCN(Cc4cnn(C)c4)C3)C2)o1 ZINC000096078741 473291590 /nfs/dbraw/zinc/29/15/90/473291590.db2.gz OQAPZIMNYAKCNM-RTBURBONSA-N 0 3 346.450 2.758 40 0 EFABHN CC(C)CN1c2ccccc2[C@@]2(CCN(Cc3cnn(C)c3)C2)C1=O ZINC000096100301 473295878 /nfs/dbraw/zinc/29/58/78/473295878.db2.gz UTASYXCXAYHDPO-FQEVSTJZSA-N 0 3 338.455 2.566 40 0 EFABHN O=C1N(CC2CC2)c2ccccc2[C@@]12CCN(Cc1ccccn1)C2 ZINC000096100332 473296146 /nfs/dbraw/zinc/29/61/46/473296146.db2.gz IGHZLYVOKCIVGS-NRFANRHFSA-N 0 3 333.435 2.982 40 0 EFABHN O=C1N(CC2CC2)c2ccccc2[C@@]12CCN(Cc1cccnc1)C2 ZINC000096100334 473296262 /nfs/dbraw/zinc/29/62/62/473296262.db2.gz LONSGYSJFKQVQX-NRFANRHFSA-N 0 3 333.435 2.982 40 0 EFABHN c1ccc(OC[C@H]2CC3(CO2)CCN(Cc2cccnc2)CC3)nc1 ZINC000096106205 473298088 /nfs/dbraw/zinc/29/80/88/473298088.db2.gz LNCAMRFTNWPHKK-GOSISDBHSA-N 0 3 339.439 2.927 40 0 EFABHN Fc1cccc(CN2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)c1 ZINC000096109014 473302243 /nfs/dbraw/zinc/30/22/43/473302243.db2.gz ZAGZQINTMUEOBE-XLIONFOSSA-N 0 3 342.414 2.886 40 0 EFABHN Fc1ccc(CN2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)cc1 ZINC000096108771 473302511 /nfs/dbraw/zinc/30/25/11/473302511.db2.gz RBXBNUGNORSYPE-UYAOXDASSA-N 0 3 349.446 2.717 40 0 EFABHN c1cc(CN2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)cs1 ZINC000096108865 473302546 /nfs/dbraw/zinc/30/25/46/473302546.db2.gz UVASNBUKXHQEGJ-QZTJIDSGSA-N 0 3 330.453 2.808 40 0 EFABHN O=C(NCC1CC1)[C@@H]1CCC2(CCN(Cc3ccccc3F)CC2)O1 ZINC000096111109 473303230 /nfs/dbraw/zinc/30/32/30/473303230.db2.gz PPHMEFYLWRJMFB-SFHVURJKSA-N 0 3 346.446 2.866 40 0 EFABHN COc1ccc(C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2OC)cc1 ZINC000096110547 473304252 /nfs/dbraw/zinc/30/42/52/473304252.db2.gz FMQZHCPUZRIZHS-HKUYNNGSSA-N 0 3 329.444 2.508 40 0 EFABHN c1cncc(CN2CC[C@H]3OCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000096110407 473304412 /nfs/dbraw/zinc/30/44/12/473304412.db2.gz XIAWANXCMYESDT-UXHICEINSA-N 0 3 339.439 2.674 40 0 EFABHN COCCC(=O)N1CCC2(CCN(Cc3cccc(OC)c3)C2)CC1 ZINC000096157463 473315819 /nfs/dbraw/zinc/31/58/19/473315819.db2.gz GPQLEDRHZCRQLA-UHFFFAOYSA-N 0 3 346.471 2.546 40 0 EFABHN O=C(N1CCCC1)N1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000096157429 473316140 /nfs/dbraw/zinc/31/61/40/473316140.db2.gz CMMXDLWSIGFESJ-UHFFFAOYSA-N 0 3 328.460 2.585 40 0 EFABHN Cc1cccc(CN2CCC3(CCN(c4cccnc4)C3=O)CC2)n1 ZINC000096157887 473318087 /nfs/dbraw/zinc/31/80/87/473318087.db2.gz XHRCYCKCHIZGDO-UHFFFAOYSA-N 0 3 336.439 2.804 40 0 EFABHN Cn1cccc1CN1CC[C@@]2(C1)CCCN(C(=O)c1cccnc1)C2 ZINC000096158142 473318417 /nfs/dbraw/zinc/31/84/17/473318417.db2.gz FFEUSRXZANGJQI-HXUWFJFHSA-N 0 3 338.455 2.548 40 0 EFABHN CN(Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1cccn1C)CC2 ZINC000096158676 473318758 /nfs/dbraw/zinc/31/87/58/473318758.db2.gz RFBWHFHTJMMWPG-GOSISDBHSA-N 0 3 343.471 2.874 40 0 EFABHN Fc1cnc(N2CCC3(CCN(Cc4ccccn4)CC3)CC2)nc1 ZINC000096158376 473318934 /nfs/dbraw/zinc/31/89/34/473318934.db2.gz XNYAQJMLYIBBBU-UHFFFAOYSA-N 0 3 341.434 2.893 40 0 EFABHN Fc1ccccc1CO[C@@H]1C[C@H]2CN(Cc3cccnc3)CCN2C1 ZINC000096183571 473324776 /nfs/dbraw/zinc/32/47/76/473324776.db2.gz XAGDKUWLADAVDA-RBUKOAKNSA-N 0 3 341.430 2.696 40 0 EFABHN O=C1N(c2cccnc2)CC[C@]12CCN(Cc1ccc(F)cc1)C2 ZINC000096159508 473320327 /nfs/dbraw/zinc/32/03/27/473320327.db2.gz IHEFVGKIVMFGGT-IBGZPJMESA-N 0 3 325.387 2.850 40 0 EFABHN Cc1ccc(CN2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)cc1 ZINC000096184571 473326111 /nfs/dbraw/zinc/32/61/11/473326111.db2.gz HQCVBAGRCDGBIT-SJORKVTESA-N 0 3 327.453 2.941 40 0 EFABHN O=C1CC[C@H]2[C@H](CCN2Cc2cccs2)N1CC1CCOCC1 ZINC000096186324 473326426 /nfs/dbraw/zinc/32/64/26/473326426.db2.gz JPGXVLORPDCDNA-IRXDYDNUSA-N 0 3 334.485 2.740 40 0 EFABHN O=C1CC[C@H]2[C@H](CCN2Cc2ccsc2)N1Cc1ccncc1 ZINC000096186391 473329784 /nfs/dbraw/zinc/32/97/84/473329784.db2.gz XBRPXFAVCCYGIQ-IRXDYDNUSA-N 0 3 327.453 2.909 40 0 EFABHN Cc1ccc(CN[C@@H]2CCc3c(ccc(=O)n3Cc3cccnc3)C2)o1 ZINC000096196588 473333245 /nfs/dbraw/zinc/33/32/45/473333245.db2.gz LQIVSCBADAMRHV-GOSISDBHSA-N 0 3 349.434 2.840 40 0 EFABHN O=C1N(c2cccnc2)CC12CCN(Cc1cccc(F)c1)CC2 ZINC000096202956 473336803 /nfs/dbraw/zinc/33/68/03/473336803.db2.gz LZEUKNCEQVCNOC-UHFFFAOYSA-N 0 3 325.387 2.850 40 0 EFABHN C[C@H]1N(CC2CC2)C(=O)COC12CCN(Cc1cccs1)CC2 ZINC000096201556 473337478 /nfs/dbraw/zinc/33/74/78/473337478.db2.gz URGHEUUDQCTFMI-CQSZACIVSA-N 0 3 334.485 2.740 40 0 EFABHN O=C1N(Cc2cccnc2)CC12CCN(Cc1ccsc1)CC2 ZINC000096202867 473337519 /nfs/dbraw/zinc/33/75/19/473337519.db2.gz GDAVSDFZUFPJGB-UHFFFAOYSA-N 0 3 327.453 2.768 40 0 EFABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(Cc3nnc(C4CC4)o3)C2)o1 ZINC000096208068 473342833 /nfs/dbraw/zinc/34/28/33/473342833.db2.gz XIUNXRCSOGEAFA-KDOFPFPSSA-N 0 3 329.400 2.540 40 0 EFABHN COC[C@H]1C(=O)N(CC2CC2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000096206419 473339874 /nfs/dbraw/zinc/33/98/74/473339874.db2.gz NBHRHWFDIVTDCX-SFHVURJKSA-N 0 3 346.471 2.685 40 0 EFABHN COCCC(=O)N1CC[C@@]2(CCN(Cc3ccc(Cl)cc3)C2)C1 ZINC000096203117 473339900 /nfs/dbraw/zinc/33/99/00/473339900.db2.gz XIRGNBZNYCVMAY-GOSISDBHSA-N 0 3 336.863 2.801 40 0 EFABHN Cc1ccc(CN2CC[C@H]3OCC[C@@]3(CCNC(=O)C3CC3)C2)s1 ZINC000096207195 473343708 /nfs/dbraw/zinc/34/37/08/473343708.db2.gz LTBKOTQRYJJULF-MJGOQNOKSA-N 0 3 348.512 2.954 40 0 EFABHN c1cncc(CO[C@H]2COC3(C2)CCN(Cc2ccncc2)CC3)c1 ZINC000096205854 473340577 /nfs/dbraw/zinc/34/05/77/473340577.db2.gz MILGTVIWQBMGBY-LJQANCHMSA-N 0 3 339.439 2.817 40 0 EFABHN c1cc(CN2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)co1 ZINC000096207541 473341734 /nfs/dbraw/zinc/34/17/34/473341734.db2.gz VXENZBMFKDUWLA-OAGGEKHMSA-N 0 3 329.400 2.620 40 0 EFABHN COC[C@H]1C(=O)N(CC2CC2)CC12CCN(Cc1cccs1)CC2 ZINC000096209177 473344288 /nfs/dbraw/zinc/34/42/88/473344288.db2.gz UFLHGPQZISXEQU-KRWDZBQOSA-N 0 3 348.512 2.845 40 0 EFABHN Cc1ccc(CN2CCC3(CCOC[C@@H]3NC(=O)C3CC3)CC2)s1 ZINC000096216356 473346947 /nfs/dbraw/zinc/34/69/47/473346947.db2.gz ODLSHIJFHQHAPK-KRWDZBQOSA-N 0 3 348.512 2.954 40 0 EFABHN O=C([C@H]1CCC2(CCN(Cc3ccccc3F)CC2)O1)N1CCCO1 ZINC000096216616 473349218 /nfs/dbraw/zinc/34/92/18/473349218.db2.gz FHFCIDQLSJEOIQ-QGZVFWFLSA-N 0 3 348.418 2.503 40 0 EFABHN Cc1ccc(CN2C[C@H]3OC[C@@H](COc4ccncc4)[C@H]3C2)s1 ZINC000096220246 473353656 /nfs/dbraw/zinc/35/36/56/473353656.db2.gz CLIUNKFIPAYNDZ-ZTFGCOKTSA-N 0 3 330.453 2.977 40 0 EFABHN Cc1ccc(N[C@@H]2CO[C@]3(CCN(Cc4cccs4)C3)C2)nn1 ZINC000096219498 473352392 /nfs/dbraw/zinc/35/23/92/473352392.db2.gz DAJPQBWOAQOSTH-WMLDXEAASA-N 0 3 330.457 2.692 40 0 EFABHN COC[C@H]1CC2(CN1c1ncccn1)CCN(Cc1ccoc1)CC2 ZINC000096240380 473362879 /nfs/dbraw/zinc/36/28/79/473362879.db2.gz FKHUBGBNUNXBIT-QGZVFWFLSA-N 0 3 342.443 2.577 40 0 EFABHN c1ccc(CN2CCC[C@@]3(C2)COCCN(c2ncccn2)C3)cc1 ZINC000096229123 473358728 /nfs/dbraw/zinc/35/87/28/473358728.db2.gz SYCVCOTZZULENO-FQEVSTJZSA-N 0 3 338.455 2.596 40 0 EFABHN c1coc(CN2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096229020 473358936 /nfs/dbraw/zinc/35/89/36/473358936.db2.gz DENSVSAETHIMLW-IBGZPJMESA-N 0 3 327.428 2.794 40 0 EFABHN CC(C)CN1CCN(C)C(=O)C12CCN(Cc1ccc(F)cc1)CC2 ZINC000096230257 473358978 /nfs/dbraw/zinc/35/89/78/473358978.db2.gz KYCBIOBVZGZTEN-UHFFFAOYSA-N 0 3 347.478 2.590 40 0 EFABHN Cc1noc(C)c1CN1C[C@@]2(CCN(Cc3ccccc3)C2)CC1=O ZINC000096239401 473361178 /nfs/dbraw/zinc/36/11/78/473361178.db2.gz RBRAMJDCPQANCJ-FQEVSTJZSA-N 0 3 339.439 2.916 40 0 EFABHN Cc1ccc(CN2CCC3(C[C@H](c4cccnc4)C(=O)N3C)CC2)o1 ZINC000096261163 473367291 /nfs/dbraw/zinc/36/72/91/473367291.db2.gz JSTYXJRJUYFKEI-GOSISDBHSA-N 0 3 339.439 2.964 40 0 EFABHN Cc1ccc(CN2CCO[C@H]3CN(CCc4ccccc4)C[C@H]32)o1 ZINC000096248804 473365028 /nfs/dbraw/zinc/36/50/28/473365028.db2.gz UPDYHUQDPNJACS-UXHICEINSA-N 0 3 326.440 2.716 40 0 EFABHN O=C(Cn1ccc2ccc(Cl)cc21)N1CC[C@@H](N2CCCC2)C1 ZINC000171452111 473391120 /nfs/dbraw/zinc/39/11/20/473391120.db2.gz MZTFBHVVPOAGFP-MRXNPFEDSA-N 0 3 331.847 2.991 40 0 EFABHN COc1cccc(OC)c1OC[C@@H](O)CN[C@H](C)c1ccccc1 ZINC000000166992 471330112 /nfs/dbraw/zinc/33/01/12/471330112.db2.gz OXXHXPODIXKWPP-ZBFHGGJFSA-N 0 3 331.412 2.794 40 0 EFABHN CN1CCN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC1 ZINC000000532340 471369058 /nfs/dbraw/zinc/36/90/58/471369058.db2.gz KYKIBSVDQXLYGU-UHFFFAOYSA-N 0 3 349.478 2.633 40 0 EFABHN CCCN(CCC)CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000004552583 471468610 /nfs/dbraw/zinc/46/86/10/471468610.db2.gz BKGPCIQNPIZWBT-UHFFFAOYSA-N 0 3 332.488 2.973 40 0 EFABHN CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1cc[n+]([O-])c2ccc(OC)cc12 ZINC000005105926 471486991 /nfs/dbraw/zinc/48/69/91/471486991.db2.gz WSOBKSJSQFYBNR-TUGJPZLJSA-N 0 3 342.439 2.636 40 0 EFABHN CC(C)/C=C/[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000005440257 471505691 /nfs/dbraw/zinc/50/56/91/471505691.db2.gz LFEGCLWKAFYJIE-YGQKLEOUSA-N 0 3 329.440 2.724 40 0 EFABHN CCOc1cc(CNCc2ccccc2)cc(Cl)c1OCC(N)=O ZINC000008253782 471674839 /nfs/dbraw/zinc/67/48/39/471674839.db2.gz OCCJKHXPTFHZTK-UHFFFAOYSA-N 0 3 348.830 2.893 40 0 EFABHN O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)NC(=O)Nc1ccccc1F ZINC000008267183 471676849 /nfs/dbraw/zinc/67/68/49/471676849.db2.gz XWUQWDSRQZOLTG-UONOGXRCSA-N 0 3 333.407 2.986 40 0 EFABHN Cc1ccccc1CS(=O)(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 ZINC000010544101 471738357 /nfs/dbraw/zinc/73/83/57/471738357.db2.gz DBYGZYSSUAEMKE-HOTGVXAUSA-N 0 3 338.517 2.782 40 0 EFABHN Cc1cc2nc(C3CCN(Cc4ccc(C)o4)CC3)cc(N)n2n1 ZINC000013227371 471822344 /nfs/dbraw/zinc/82/23/44/471822344.db2.gz CAXPKAMAKAWNQV-UHFFFAOYSA-N 0 3 325.416 2.901 40 0 EFABHN Cc1ccc(CNCc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000013999179 471848057 /nfs/dbraw/zinc/84/80/57/471848057.db2.gz IKHBFIPPYPXVGB-UHFFFAOYSA-N 0 3 336.391 2.898 40 0 EFABHN C[C@@H]1CCc2nc(NC(=O)C3=CC4C=CC=C[C@@H]4OC3=O)sc2C1 ZINC000016740165 471949132 /nfs/dbraw/zinc/94/91/32/471949132.db2.gz FVKQGVCDINMMBG-SUNKGSAMSA-N 0 3 342.420 2.800 40 0 EFABHN CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(OC)cc1)CN2 ZINC000018164906 471971141 /nfs/dbraw/zinc/97/11/41/471971141.db2.gz DNVPMVJYQWFBIK-UHFFFAOYSA-N 0 3 341.371 2.787 40 0 EFABHN COc1cc(C)ccc1CN1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019134111 471977376 /nfs/dbraw/zinc/97/73/76/471977376.db2.gz YSMYCFBFYMBYPU-GOSISDBHSA-N 0 3 338.455 2.776 40 0 EFABHN CN1CCCCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc2c(c1)OCCO2 ZINC000019712133 471983462 /nfs/dbraw/zinc/98/34/62/471983462.db2.gz OKAUWIHZKOQRPA-JKSUJKDBSA-N 0 3 330.428 2.547 40 0 EFABHN CNc1cc(CN(C)CC(C)(C)C)nc([C@H]2CCCN2C(C)=O)n1 ZINC000019759910 471984948 /nfs/dbraw/zinc/98/49/48/471984948.db2.gz KVGJANGNAGMTSS-OAHLLOKOSA-N 0 3 333.480 2.680 40 0 EFABHN Cc1ccc(N2C(=O)c3ccccc3/C(=C/NCCN(C)C)C2=O)cc1 ZINC000020815751 471993749 /nfs/dbraw/zinc/99/37/49/471993749.db2.gz YBRUUQYWOHKPTL-RGEXLXHISA-N 0 3 349.434 2.674 40 0 EFABHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC000067206439 472005211 /nfs/dbraw/zinc/00/52/11/472005211.db2.gz FTLHQZXSMRVUGH-HNNXBMFYSA-N 0 3 340.471 2.851 40 0 EFABHN CCN1CCN(Cc2ccccc2CNC(=O)CC(C)(C)C)CC1 ZINC000041578045 472070606 /nfs/dbraw/zinc/07/06/06/472070606.db2.gz MXPPEOFAZFBLRO-UHFFFAOYSA-N 0 3 331.504 2.877 40 0 EFABHN COc1ccc(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1 ZINC000025313807 472090652 /nfs/dbraw/zinc/09/06/52/472090652.db2.gz FSUAYQZRORTJRY-KRWDZBQOSA-N 0 3 327.428 2.990 40 0 EFABHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000075862089 472212595 /nfs/dbraw/zinc/21/25/95/472212595.db2.gz SQLYOORZGMLKSP-CYBMUJFWSA-N 0 3 329.366 2.704 40 0 EFABHN OCCN(CCO)CCc1ccc(CSc2ccccc2)cc1 ZINC000068606139 472218427 /nfs/dbraw/zinc/21/84/27/472218427.db2.gz OVRSJALEMYZBSV-UHFFFAOYSA-N 0 3 331.481 2.808 40 0 EFABHN C[C@H]1CN(C)CCN1CC1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000085468218 472251858 /nfs/dbraw/zinc/25/18/58/472251858.db2.gz VJCKBMUMTUHZDD-HNNXBMFYSA-N 0 3 349.906 2.828 40 0 EFABHN C[C@@H]1CN(C)CCN1CC1CCN(C(=O)Nc2cccs2)CC1 ZINC000085468303 472252038 /nfs/dbraw/zinc/25/20/38/472252038.db2.gz RKUFYCKPMDVSJX-CQSZACIVSA-N 0 3 336.505 2.628 40 0 EFABHN Cc1csc(C(=O)N2CCC(CN3CCN(C)C[C@@H]3C)CC2)c1 ZINC000085468124 472252170 /nfs/dbraw/zinc/25/21/70/472252170.db2.gz HXIOKPOLMKOWHF-HNNXBMFYSA-N 0 3 335.517 2.545 40 0 EFABHN COCCN1CCC(NC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000085467941 472252413 /nfs/dbraw/zinc/25/24/13/472252413.db2.gz RQVJYBUJXLGOKA-UHFFFAOYSA-N 0 3 330.350 2.546 40 0 EFABHN C[C@H]1CN(C)CCN1CC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000085468211 472252469 /nfs/dbraw/zinc/25/24/69/472252469.db2.gz KYQMSCAJKFHCIW-HNNXBMFYSA-N 0 3 349.906 2.828 40 0 EFABHN CCn1nc(C)cc1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000076388907 472337176 /nfs/dbraw/zinc/33/71/76/472337176.db2.gz GLBNDSQBTKFOAO-KRWDZBQOSA-N 0 3 340.471 2.948 40 0 EFABHN CCN1CCN(CCC(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)CC1 ZINC000076472127 472352658 /nfs/dbraw/zinc/35/26/58/472352658.db2.gz WEMFGYJMXZCRSH-ICSRJNTNSA-N 0 3 343.515 2.666 40 0 EFABHN CCS(=O)(=O)C[C@@H](C)N[C@@H]1CCCN(c2cc(C)ccc2F)C1 ZINC000097230721 472483596 /nfs/dbraw/zinc/48/35/96/472483596.db2.gz VACSYAVKZMDUEF-HUUCEWRRSA-N 0 3 342.480 2.516 40 0 EFABHN Cc1cc(Cl)c(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1C ZINC000097237534 472486498 /nfs/dbraw/zinc/48/64/98/472486498.db2.gz WGOWRHXZCKFLCB-HNNXBMFYSA-N 0 3 336.863 2.940 40 0 EFABHN COC(=O)C1CCN(CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000077247144 472487358 /nfs/dbraw/zinc/48/73/58/472487358.db2.gz OVVLNJRMTQDUQG-UHFFFAOYSA-N 0 3 349.818 2.818 40 0 EFABHN O=C(Oc1ccccc1)N1CCCN(CCN2CCCCC2)CC1 ZINC000077276323 472491207 /nfs/dbraw/zinc/49/12/07/472491207.db2.gz USPJDUCNZYZPOV-UHFFFAOYSA-N 0 3 331.460 2.679 40 0 EFABHN COC(=O)c1coc(C(=O)N2CCC[C@H](N3CCCCCC3)C2)c1 ZINC000097376435 472492873 /nfs/dbraw/zinc/49/28/73/472492873.db2.gz JUEWTWYIQHWLRQ-HNNXBMFYSA-N 0 3 334.416 2.547 40 0 EFABHN Cc1csc(N2CCCN(Cc3cnccc3N(C)C)CC2)n1 ZINC000097377058 472494555 /nfs/dbraw/zinc/49/45/55/472494555.db2.gz JQYZZVYWVMHYCH-UHFFFAOYSA-N 0 3 331.489 2.625 40 0 EFABHN C[C@H](Oc1ccccc1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000070928477 472524664 /nfs/dbraw/zinc/52/46/64/472524664.db2.gz JHDWWVPVWHMAPS-INIZCTEOSA-N 0 3 339.439 2.882 40 0 EFABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@H](CN)c2cccc(Cl)c2)C1 ZINC000101039124 472530064 /nfs/dbraw/zinc/53/00/64/472530064.db2.gz HLKRLEGOUNMEFF-LSDHHAIUSA-N 0 3 339.867 2.939 40 0 EFABHN C[C@@H](NCCN1CCN(c2cccc(Cl)c2)CC1)c1cnccn1 ZINC000090468765 472624535 /nfs/dbraw/zinc/62/45/35/472624535.db2.gz GQKFXJNHHNUBBI-OAHLLOKOSA-N 0 3 345.878 2.603 40 0 EFABHN CC(C)NC(=O)Nc1cccc(C(=O)NCCN2CCCCCC2)c1 ZINC000059403174 472627078 /nfs/dbraw/zinc/62/70/78/472627078.db2.gz IIHXSBDTOUHIRQ-UHFFFAOYSA-N 0 3 346.475 2.822 40 0 EFABHN CC(C)(C)OC(=O)N1CCCC[C@H]1c1cccnc1N1CCNCC1 ZINC000072216371 472635183 /nfs/dbraw/zinc/63/51/83/472635183.db2.gz CITOPIJCOKCLLB-INIZCTEOSA-N 0 3 346.475 2.953 40 0 EFABHN CN(C)C[C@@H]1CSCCCN1C(=O)Cc1ccccc1Cl ZINC000090700076 472653469 /nfs/dbraw/zinc/65/34/69/472653469.db2.gz NOSAJZSBVNTMRT-CQSZACIVSA-N 0 3 326.893 2.778 40 0 EFABHN C[C@H]1C[C@H](NC[C@H]2CCCN2S(C)(=O)=O)c2ccsc2S1 ZINC000090799419 472658165 /nfs/dbraw/zinc/65/81/65/472658165.db2.gz QPDXMSKYRPUMOM-LOWVWBTDSA-N 0 3 346.543 2.687 40 0 EFABHN OC[C@H](NC1CCC2(CC1)OCCO2)c1ccc(Cl)c(F)c1 ZINC000156429386 472706946 /nfs/dbraw/zinc/70/69/46/472706946.db2.gz MTUFOYOQDTYILA-HNNXBMFYSA-N 0 3 329.799 2.788 40 0 EFABHN O=C(NCCC1CCN(c2ccncc2)CC1)c1ccc2[nH]cnc2c1 ZINC000091261096 472750837 /nfs/dbraw/zinc/75/08/37/472750837.db2.gz MDPNNURJKFWGIY-UHFFFAOYSA-N 0 3 349.438 2.994 40 0 EFABHN COc1ccc(CNC(=S)NC[C@@H](C)N2CCCC[C@@H]2C)cc1 ZINC000105723465 472770906 /nfs/dbraw/zinc/77/09/06/472770906.db2.gz YANUBGBGZZCCFQ-LSDHHAIUSA-N 0 3 335.517 2.922 40 0 EFABHN C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cnccc1N1CCCCC1 ZINC000079041082 472810094 /nfs/dbraw/zinc/81/00/94/472810094.db2.gz JZKSVNRXORBCPQ-HUUCEWRRSA-N 0 3 333.432 2.595 40 0 EFABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000073743057 472866171 /nfs/dbraw/zinc/86/61/71/472866171.db2.gz DDHBTZLDQXTPIE-ZDUSSCGKSA-N 0 3 344.242 2.532 40 0 EFABHN Cc1ccc(CN2CC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000107226750 472934805 /nfs/dbraw/zinc/93/48/05/472934805.db2.gz WDNLJTAXRWXEAW-QAPCUYQASA-N 0 3 344.484 2.716 40 0 EFABHN Fc1cnc(N[C@H]2CO[C@]3(C2)CCCN(Cc2cccs2)C3)nc1 ZINC000107228700 472935276 /nfs/dbraw/zinc/93/52/76/472935276.db2.gz BIYGMVOIBRKRIP-PBHICJAKSA-N 0 3 348.447 2.913 40 0 EFABHN Cc1ccc(CN2CC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)s1 ZINC000107226324 472935691 /nfs/dbraw/zinc/93/56/91/472935691.db2.gz PZKZPORFVLMSDI-RHSMWYFYSA-N 0 3 330.457 2.692 40 0 EFABHN O=C(C[C@H]1[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]12)Nc1cccnc1 ZINC000107746013 472979473 /nfs/dbraw/zinc/97/94/73/472979473.db2.gz CEQDWPKAJZOLBT-BCDXTJNWSA-N 0 3 325.387 2.927 40 0 EFABHN Fc1cnc(N[C@H]2CO[C@]3(C2)CCCN(Cc2ccsc2)C3)nc1 ZINC000107731198 472980477 /nfs/dbraw/zinc/98/04/77/472980477.db2.gz OBHLCDRQUBATGK-WBVHZDCISA-N 0 3 348.447 2.913 40 0 EFABHN Cc1ccc(CN2CC[C@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)s1 ZINC000107822042 472984969 /nfs/dbraw/zinc/98/49/69/472984969.db2.gz WGBMNJFLCDDFLK-PBHICJAKSA-N 0 3 348.447 2.831 40 0 EFABHN Cc1cccnc1CN1CCC2(CC(NC(=O)c3ccncc3)C2)C1 ZINC000108530005 473035794 /nfs/dbraw/zinc/03/57/94/473035794.db2.gz OQHGQSCOTKMHSE-UHFFFAOYSA-N 0 3 336.439 2.570 40 0 EFABHN COCCN1CC[C@]2(CCCN(Cc3cc(F)ccc3C)CC2)C1=O ZINC000108526369 473035853 /nfs/dbraw/zinc/03/58/53/473035853.db2.gz WZOJPPACCGVSIT-HXUWFJFHSA-N 0 3 348.462 2.985 40 0 EFABHN Cc1cccc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N3CCCCO3)C2)n1 ZINC000108530122 473036202 /nfs/dbraw/zinc/03/62/02/473036202.db2.gz INIVVPBLGMPUPM-QUCCMNQESA-N 0 3 343.471 2.936 40 0 EFABHN O=C(c1cc(-c2ccc(F)cc2)on1)N1CC[C@@H](N2CCCC2)C1 ZINC000135455755 473075386 /nfs/dbraw/zinc/07/53/86/473075386.db2.gz KOKBAMHDXOFCSN-OAHLLOKOSA-N 0 3 329.375 2.791 40 0 EFABHN COC(=O)CN1CCC(N[C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000136317770 473151740 /nfs/dbraw/zinc/15/17/40/473151740.db2.gz TUTIMTCTUASVOG-OAHLLOKOSA-N 0 3 338.448 2.590 40 0 EFABHN Cc1nnc2ccc(NC[C@@H]3CCCN(C)[C@H]3c3ccccc3)nn12 ZINC000110590838 473164272 /nfs/dbraw/zinc/16/42/72/473164272.db2.gz AHRGWWBWFOIISE-LPHOPBHVSA-N 0 3 336.443 2.928 40 0 EFABHN Cc1ccc(NC(=O)/C=C/c2cccnc2)c(OCCN(C)C)c1 ZINC000096414010 473393487 /nfs/dbraw/zinc/39/34/87/473393487.db2.gz QRBDXPZEYVXPGI-VQHVLOKHSA-N 0 3 325.412 2.982 40 0 EFABHN Cn1cc([C@H]2C[C@@H]2C(=O)N(CCN2CCCC2)c2ccccc2)cn1 ZINC000096416794 473395948 /nfs/dbraw/zinc/39/59/48/473395948.db2.gz FBQPFBLCORLHIN-MOPGFXCFSA-N 0 3 338.455 2.653 40 0 EFABHN CC[C@]1(C)CN(C(=O)NCC2CCN(c3ccncc3)CC2)CCO1 ZINC000190799965 473397843 /nfs/dbraw/zinc/39/78/43/473397843.db2.gz XIRMEAJBNBLRKH-LJQANCHMSA-N 0 3 346.475 2.509 40 0 EFABHN CC(C)[C@H](NC1CCOCC1)C(=O)Nc1ccc2ccccc2n1 ZINC000096418690 473397900 /nfs/dbraw/zinc/39/79/00/473397900.db2.gz ZTVQWXRBBGMCLA-SFHVURJKSA-N 0 3 327.428 2.967 40 0 EFABHN CCN(C1CCN(c2cc(C)nc3ccccc32)CC1)S(C)(=O)=O ZINC000096429451 473408805 /nfs/dbraw/zinc/40/88/05/473408805.db2.gz QMYVVSNQNQPJEB-UHFFFAOYSA-N 0 3 347.484 2.794 40 0 EFABHN CN(C[C@H]1CCN(C)C1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000096430899 473409486 /nfs/dbraw/zinc/40/94/86/473409486.db2.gz OXPSKNNQQNLIFW-ZDUSSCGKSA-N 0 3 340.427 2.638 40 0 EFABHN CC1CCC(O)(CN2CCCN(C(=O)c3cccs3)CC2)CC1 ZINC000096435775 473415206 /nfs/dbraw/zinc/41/52/06/473415206.db2.gz ZWEJNJXQGZPDAF-UHFFFAOYSA-N 0 3 336.501 2.837 40 0 EFABHN Cc1cnc(CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)s1 ZINC000096440067 473418735 /nfs/dbraw/zinc/41/87/35/473418735.db2.gz RRMWKBGDEOUPBP-ZDUSSCGKSA-N 0 3 332.473 2.771 40 0 EFABHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CCCOC1 ZINC000096440556 473418852 /nfs/dbraw/zinc/41/88/52/473418852.db2.gz ZWFPFPABFVXBPP-RTBURBONSA-N 0 3 345.487 2.719 40 0 EFABHN CSc1ccc(OCCN2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000096441422 473419894 /nfs/dbraw/zinc/41/98/94/473419894.db2.gz POKGDIBRLBVYFO-HNNXBMFYSA-N 0 3 334.485 2.874 40 0 EFABHN CN(C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)[C@H]1CCCN(C)C1 ZINC000096452098 473428572 /nfs/dbraw/zinc/42/85/72/473428572.db2.gz IGIHMBMIGJSZIN-INIZCTEOSA-N 0 3 339.443 2.515 40 0 EFABHN Cc1cc2cc(CNC3CCN(S(C)(=O)=O)CC3)oc2cc1C ZINC000096453971 473429386 /nfs/dbraw/zinc/42/93/86/473429386.db2.gz UJJNVQOUASRUJY-UHFFFAOYSA-N 0 3 336.457 2.563 40 0 EFABHN C[C@H](CN(C)C1CCN(C2CCC(C)CC2)CC1)CS(C)(=O)=O ZINC000096466200 473434614 /nfs/dbraw/zinc/43/46/14/473434614.db2.gz ZOFNTYGVYUKALI-UPTPFMHGSA-N 0 3 344.565 2.642 40 0 EFABHN CC(C)CO[C@H](C)c1noc(CN2CCN(c3ccncc3)CC2)n1 ZINC000096473708 473437384 /nfs/dbraw/zinc/43/73/84/473437384.db2.gz XVAZSEZAKHKBBB-OAHLLOKOSA-N 0 3 345.447 2.520 40 0 EFABHN C[C@H](NC[C@@H]1Cc2ccccc2O1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096476507 473439718 /nfs/dbraw/zinc/43/97/18/473439718.db2.gz PMHZTJWRBTWSNF-WFASDCNBSA-N 0 3 349.427 2.884 40 0 EFABHN C[C@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000096481292 473440727 /nfs/dbraw/zinc/44/07/27/473440727.db2.gz CQPUWCKSAKXXDN-JVPBZIDWSA-N 0 3 342.414 2.684 40 0 EFABHN Cc1ccc(NC(=O)C[C@@H](C)NCCNC(=O)C(C)(C)C)c(C)c1 ZINC000096478743 473440768 /nfs/dbraw/zinc/44/07/68/473440768.db2.gz NZWFRDKMRWNLOL-OAHLLOKOSA-N 0 3 333.476 2.772 40 0 EFABHN NC(=O)[C@@H]1CCC[C@H](NCc2cc(F)ccc2Br)C1 ZINC000096485572 473444313 /nfs/dbraw/zinc/44/43/13/473444313.db2.gz SYAVMTSBIDGSMN-SKDRFNHKSA-N 0 3 329.213 2.722 40 0 EFABHN O=C(CCc1ccccc1)N1CC[C@@H](NCc2cccc3c[nH]nc32)C1 ZINC000096494389 473450340 /nfs/dbraw/zinc/45/03/40/473450340.db2.gz ZMUNPWGFZVOMBD-LJQANCHMSA-N 0 3 348.450 2.886 40 0 EFABHN CC[C@H](C)Oc1cc(C(=O)N2CCN(c3ccncc3)CC2)ccn1 ZINC000096494937 473450496 /nfs/dbraw/zinc/45/04/96/473450496.db2.gz WGQRNJPOFDYDKK-HNNXBMFYSA-N 0 3 340.427 2.616 40 0 EFABHN Cc1ccc2ncc(CNCc3ccc(N4CCOC4=O)cc3)n2c1 ZINC000096501568 473454528 /nfs/dbraw/zinc/45/45/28/473454528.db2.gz YPMFBYCWXDEYFZ-UHFFFAOYSA-N 0 3 336.395 2.889 40 0 EFABHN CSc1ccc(CNC(=O)[C@@H]2CCCN2C2CCOCC2)cc1 ZINC000191052452 473466321 /nfs/dbraw/zinc/46/63/21/473466321.db2.gz XVASMMKSIUZZBM-KRWDZBQOSA-N 0 3 334.485 2.668 40 0 EFABHN O=C(CN1CC[C@H](N2CCCC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000170713853 473593220 /nfs/dbraw/zinc/59/32/20/473593220.db2.gz PGSGMYJCPNKAHM-ZDUSSCGKSA-N 0 3 325.815 2.588 40 0 EFABHN C[C@H](NC(=O)c1ccc(-n2cnnc2)cc1)[C@@H](c1ccccc1)N(C)C ZINC000186496131 473681969 /nfs/dbraw/zinc/68/19/69/473681969.db2.gz SSOXHVQFKSTVGN-KXBFYZLASA-N 0 3 349.438 2.689 40 0 EFABHN Cc1ccc(C(=O)N2CCC(N[C@@H](C)c3ccnn3C)CC2)cc1 ZINC000192809953 473728825 /nfs/dbraw/zinc/72/88/25/473728825.db2.gz BPBPORJWUOTUDK-HNNXBMFYSA-N 0 3 326.444 2.684 40 0 EFABHN CC(=O)c1ccc(N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000180434188 473877195 /nfs/dbraw/zinc/87/71/95/473877195.db2.gz OMWJUWFBPIJLDC-GASCZTMLSA-N 0 3 331.460 2.610 40 0 EFABHN Cc1ccc(C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)s1 ZINC000188173836 474008161 /nfs/dbraw/zinc/00/81/61/474008161.db2.gz BOIQWBIZGYDEAI-IBGZPJMESA-N 0 3 344.480 2.766 40 0 EFABHN COC(=O)c1ccc(Cl)c(NC(=O)C2CCN(C3CC3)CC2)c1 ZINC000195304067 474053675 /nfs/dbraw/zinc/05/36/75/474053675.db2.gz HCRJKXOEZLJWKE-UHFFFAOYSA-N 0 3 336.819 2.940 40 0 EFABHN C[Si](C)(C)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000195529954 474088581 /nfs/dbraw/zinc/08/85/81/474088581.db2.gz XJSHTJVMNDZHAM-UHFFFAOYSA-N 0 3 339.943 2.774 40 0 EFABHN Cc1ccc(NC(=O)C[C@H]2CNCCO2)c(SC(F)(F)F)c1 ZINC000195543369 474091105 /nfs/dbraw/zinc/09/11/05/474091105.db2.gz YAMQGMSEWSYAHP-JTQLQIEISA-N 0 3 334.363 2.924 40 0 EFABHN CC(C)(C)[C@H](N)C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000195543398 474091688 /nfs/dbraw/zinc/09/16/88/474091688.db2.gz YEOLRONMJRGIAS-UONOGXRCSA-N 0 3 328.815 2.752 40 0 EFABHN O=C(Cc1ccccc1Br)Nc1cnc2c(c1)CNCC2 ZINC000195549170 474093270 /nfs/dbraw/zinc/09/32/70/474093270.db2.gz RLVFYDGGDXYAHA-UHFFFAOYSA-N 0 3 346.228 2.671 40 0 EFABHN C[C@@H](NC[C@]1(O)CCOC1)c1cc2cc(Br)ccc2o1 ZINC000182073913 474094230 /nfs/dbraw/zinc/09/42/30/474094230.db2.gz XKTKINUAEFXICG-MEBBXXQBSA-N 0 3 340.217 2.997 40 0 EFABHN COc1ccc(CNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1C ZINC000195554506 474094504 /nfs/dbraw/zinc/09/45/04/474094504.db2.gz JSPOWVULJIRHAV-IRXDYDNUSA-N 0 3 331.460 2.629 40 0 EFABHN CN(C)[C@@H](CN[C@H]1CCCOc2cc(F)ccc21)c1cnn(C)c1 ZINC000182086591 474096925 /nfs/dbraw/zinc/09/69/25/474096925.db2.gz KHDXRSRINFFEAL-IRXDYDNUSA-N 0 3 332.423 2.665 40 0 EFABHN CCN1CCN(C[C@H](C)CNc2cncc(Br)c2)CC1 ZINC000195575057 474098772 /nfs/dbraw/zinc/09/87/72/474098772.db2.gz QGIGPZCZRHLEPW-CYBMUJFWSA-N 0 3 341.297 2.530 40 0 EFABHN CCCN1CCC[C@H]1c1nc(-c2cnn3c2nc(C)cc3C)no1 ZINC000195569958 474099253 /nfs/dbraw/zinc/09/92/53/474099253.db2.gz AGNBXKGMVCNJNB-AWEZNQCLSA-N 0 3 326.404 2.943 40 0 EFABHN NC(=O)c1cccc(CCN[C@H]2CCCOc3cc(F)ccc32)c1 ZINC000182130638 474105316 /nfs/dbraw/zinc/10/53/16/474105316.db2.gz BDJKYHUVEAFNKG-KRWDZBQOSA-N 0 3 328.387 2.971 40 0 EFABHN CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000222728161 474172220 /nfs/dbraw/zinc/17/22/20/474172220.db2.gz FFZLJAYGOGLDAP-IAGOWNOFSA-N 0 3 335.436 2.870 40 0 EFABHN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)[nH]1 ZINC000223255336 474182454 /nfs/dbraw/zinc/18/24/54/474182454.db2.gz AHCFLZCPLSPMNI-IAGOWNOFSA-N 0 3 343.500 2.561 40 0 EFABHN COc1ccc([C@@H](CN2CCCC2)NC(=O)C[C@H]2CCCOC2)cc1 ZINC000225423144 474212236 /nfs/dbraw/zinc/21/22/36/474212236.db2.gz HPQBTNJYRQYEOM-VQIMIIECSA-N 0 3 346.471 2.765 40 0 EFABHN CNCC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000225470712 474215186 /nfs/dbraw/zinc/21/51/86/474215186.db2.gz XRIAADMLRSIDNF-UHFFFAOYSA-N 0 3 340.246 2.654 40 0 EFABHN C[C@H]1CCCN(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)C1 ZINC000225571315 474225378 /nfs/dbraw/zinc/22/53/78/474225378.db2.gz NQUJIBFSHIZXMR-QFBILLFUSA-N 0 3 345.487 2.585 40 0 EFABHN C[C@H]1CCCN(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)C1 ZINC000225571288 474225939 /nfs/dbraw/zinc/22/59/39/474225939.db2.gz NQUJIBFSHIZXMR-LPHOPBHVSA-N 0 3 345.487 2.585 40 0 EFABHN CCN1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2N)CC1 ZINC000226263458 474240019 /nfs/dbraw/zinc/24/00/19/474240019.db2.gz ROTRBOCPBVLZPB-UHFFFAOYSA-N 0 3 342.418 2.802 40 0 EFABHN COc1ccc(CNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1C ZINC000230464356 474260803 /nfs/dbraw/zinc/26/08/03/474260803.db2.gz JSPOWVULJIRHAV-DLBZAZTESA-N 0 3 331.460 2.629 40 0 EFABHN C[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2N(C)Cc1cccnc1 ZINC000248128814 474263745 /nfs/dbraw/zinc/26/37/45/474263745.db2.gz PSMGYCXHCXOEDX-RXABAKJHSA-N 0 3 327.472 2.797 40 0 EFABHN Cn1cc(-c2cc(CN3CCC[C@@H]3C[C@@H](O)c3ccco3)on2)cn1 ZINC000249001108 474502904 /nfs/dbraw/zinc/50/29/04/474502904.db2.gz MZIYYOPIOIVPCF-RHSMWYFYSA-N 0 3 342.399 2.756 40 0 EFABHN O=C(Nc1cccc(C(=O)N2CCCCC2)c1)C12CCCN1CCC2 ZINC000239672481 474546788 /nfs/dbraw/zinc/54/67/88/474546788.db2.gz BTGDUUTWBAITCA-UHFFFAOYSA-N 0 3 341.455 2.880 40 0 EFABHN CNCC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000241124332 474553669 /nfs/dbraw/zinc/55/36/69/474553669.db2.gz JHJWXMBQERJCCG-AWEZNQCLSA-N 0 3 325.412 2.678 40 0 EFABHN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000245266887 474572490 /nfs/dbraw/zinc/57/24/90/474572490.db2.gz KNUMYPWPQPYLBT-YCPHGPKFSA-N 0 3 329.444 2.625 40 0 EFABHN Cc1cccc([C@H](C)NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1C ZINC000245339513 474574264 /nfs/dbraw/zinc/57/42/64/474574264.db2.gz UDFMVZKKXAOYAG-YESZJQIVSA-N 0 3 331.460 2.527 40 0 EFABHN Cc1ccc2[nH]c([C@@H]3CCCN([C@H]4CCN(C5CC5)C4=O)C3)nc2c1 ZINC000252486430 474673902 /nfs/dbraw/zinc/67/39/02/474673902.db2.gz JZVVMKUCLPCLNV-KDOFPFPSSA-N 0 3 338.455 2.814 40 0 EFABHN Cc1ccc2nc([C@@H]3CCCN([C@H]4CCN(C5CC5)C4=O)C3)[nH]c2c1 ZINC000252486430 474673910 /nfs/dbraw/zinc/67/39/10/474673910.db2.gz JZVVMKUCLPCLNV-KDOFPFPSSA-N 0 3 338.455 2.814 40 0 EFABHN FC(F)(F)CN1CC[C@H](NCc2ccc(Br)o2)C1 ZINC000252510080 474686993 /nfs/dbraw/zinc/68/69/93/474686993.db2.gz ZBCULKXRINWBSK-QMMMGPOBSA-N 0 3 327.144 2.768 40 0 EFABHN FC(F)(F)CN1CC[C@@H](NCc2ccc(Br)o2)C1 ZINC000252510079 474687490 /nfs/dbraw/zinc/68/74/90/474687490.db2.gz ZBCULKXRINWBSK-MRVPVSSYSA-N 0 3 327.144 2.768 40 0 EFABHN COC(=O)CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000252511300 474690015 /nfs/dbraw/zinc/69/00/15/474690015.db2.gz ZXGVCFUBRPSVAM-NVXWUHKLSA-N 0 3 346.471 2.745 40 0 EFABHN CCN1CC[C@@H](NCC(OC)OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000253393102 474734239 /nfs/dbraw/zinc/73/42/39/474734239.db2.gz RJRIQPRBSIDRCB-ZBFHGGJFSA-N 0 3 330.831 2.823 40 0 EFABHN Cc1nc2c(cccc2C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)o1 ZINC000253421133 474749745 /nfs/dbraw/zinc/74/97/45/474749745.db2.gz QTYRRXGJVWCGSA-IRXDYDNUSA-N 0 3 335.407 2.964 40 0 EFABHN Cc1ccc(F)cc1CN(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000253426308 474750591 /nfs/dbraw/zinc/75/05/91/474750591.db2.gz SNWILUZRBZAYBL-ZDUSSCGKSA-N 0 3 336.432 2.975 40 0 EFABHN Cn1ccnc(NCC2CCN(Cc3ccccc3Cl)CC2)c1=O ZINC000253428715 474754791 /nfs/dbraw/zinc/75/47/91/474754791.db2.gz NVYVNQACCVSSOT-UHFFFAOYSA-N 0 3 346.862 2.758 40 0 EFABHN CN1CCC(Nc2ccccc2NC(=O)[C@@H]2CC23CCOCC3)CC1 ZINC000253430962 474757057 /nfs/dbraw/zinc/75/70/57/474757057.db2.gz PHOUKRPYNWSEIM-INIZCTEOSA-N 0 3 343.471 2.948 40 0 EFABHN CN(C)Cc1ccc(N2CCN(c3ncc(Cl)cc3F)CC2)nc1 ZINC000253432837 474758696 /nfs/dbraw/zinc/75/86/96/474758696.db2.gz OQAGASNZQJPVGN-UHFFFAOYSA-N 0 3 349.841 2.657 40 0 EFABHN c1cc2n(n1)C[C@H](OCC1CCCC1)CN(CC1CCOCC1)C2 ZINC000253478346 474761468 /nfs/dbraw/zinc/76/14/68/474761468.db2.gz KMNYWFOVSMRGAP-LJQANCHMSA-N 0 3 333.476 2.701 40 0 EFABHN Cn1cc(CN2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306132749 474810679 /nfs/dbraw/zinc/81/06/79/474810679.db2.gz LQZGHNKFJDDYIA-MSOLQXFVSA-N 0 3 333.439 2.588 40 0 EFABHN Cc1cncc(C2CCN(C(=O)c3ccc(CN(C)C)cc3)CC2)n1 ZINC000257293129 474937094 /nfs/dbraw/zinc/93/70/94/474937094.db2.gz QOGPWSXMFFYFSC-UHFFFAOYSA-N 0 3 338.455 2.866 40 0 EFABHN Cc1cc(C)nc([C@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257308580 474945348 /nfs/dbraw/zinc/94/53/48/474945348.db2.gz TXGWDAMUVIIPIR-INIZCTEOSA-N 0 3 325.412 2.854 40 0 EFABHN CCc1cc(C(=O)N2CC[C@H](c3cc(N(C)C)cc(C)n3)C2)no1 ZINC000257313449 474947012 /nfs/dbraw/zinc/94/70/12/474947012.db2.gz USMPVABJEYRDOL-ZDUSSCGKSA-N 0 3 328.416 2.636 40 0 EFABHN Cn1cc(CN2CCN(C)C[C@@H](Cc3cccc4ncccc34)C2)cn1 ZINC000257316623 474948716 /nfs/dbraw/zinc/94/87/16/474948716.db2.gz VGJCDWDPXRSQDO-QGZVFWFLSA-N 0 3 349.482 2.575 40 0 EFABHN Cc1cccc(CN2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)n1 ZINC000257314727 474949152 /nfs/dbraw/zinc/94/91/52/474949152.db2.gz UYFGLSOKEMJFAV-INIZCTEOSA-N 0 3 334.427 2.745 40 0 EFABHN Cc1cccc(CN2CCC(Cc3cnc(CN(C)C)cn3)CC2)n1 ZINC000257315670 474949882 /nfs/dbraw/zinc/94/98/82/474949882.db2.gz VCJDKSBSZBTAJY-UHFFFAOYSA-N 0 3 339.487 2.696 40 0 EFABHN CN1CCC(Cc2ccccc2)(C(=O)NC[C@]2(C)CCCO2)CC1 ZINC000257322543 474952521 /nfs/dbraw/zinc/95/25/21/474952521.db2.gz WGKACZNLGVCUEH-IBGZPJMESA-N 0 3 330.472 2.626 40 0 EFABHN CC1CCC(N2CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)CC2)CC1 ZINC000345167771 474956288 /nfs/dbraw/zinc/95/62/88/474956288.db2.gz DDXKWIVUHNTPAZ-UHFFFAOYSA-N 0 3 343.427 2.870 40 0 EFABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2ccc(C)s2)c1 ZINC000257330247 474957884 /nfs/dbraw/zinc/95/78/84/474957884.db2.gz XNOIADIHAFJVJW-KRWDZBQOSA-N 0 3 329.469 2.563 40 0 EFABHN CC(C)n1nccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)C2 ZINC000257332991 474958627 /nfs/dbraw/zinc/95/86/27/474958627.db2.gz XZPIHLWPPSPGSN-LKCYJCQHSA-N 0 3 330.476 2.941 40 0 EFABHN CN1C(=O)c2ccccc2O[C@H]2CN(C3CCC(F)(F)CC3)C[C@H]21 ZINC000514289357 479020609 /nfs/dbraw/zinc/02/06/09/479020609.db2.gz IVAUOKOQYBBWSX-ZBFHGGJFSA-N 0 3 336.382 2.782 40 0 biogenic,in-vitro EFABHN CC(C)CN1C[C@@H]2CN(C(=O)c3ccccc3)CCN2C(C)(C)C1 ZINC000514288733 479020820 /nfs/dbraw/zinc/02/08/20/479020820.db2.gz DIKCWRNZTMATGS-GOSISDBHSA-N 0 3 329.488 2.563 40 0 biogenic,in-vitro EFABHN C[C@H]1Cc2nnc(COc3cncc(Cl)c3)n2CCN1CC1CC1 ZINC000585097919 479281926 /nfs/dbraw/zinc/28/19/26/479281926.db2.gz PDKUXLMDPJFIRQ-LBPRGKRZSA-N 0 3 347.850 2.562 40 0 EFABHN COCCN1CC[C@]12CCCN(C(=O)C1(c3ccc(C)cc3)CC1)C2 ZINC000585101929 479283096 /nfs/dbraw/zinc/28/30/96/479283096.db2.gz LVHPJOIJFUNZHB-FQEVSTJZSA-N 0 3 342.483 2.740 40 0 EFABHN COCC[C@@H]1CCOC12CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000585102838 479284607 /nfs/dbraw/zinc/28/46/07/479284607.db2.gz KCLDXJYZAYXEFX-MRXNPFEDSA-N 0 3 333.428 2.823 40 0 EFABHN Cc1ccc(C)c(CN2CCOC[C@]3(CC(=O)N(C(C)C)C3)C2)c1 ZINC000585104679 479286300 /nfs/dbraw/zinc/28/63/00/479286300.db2.gz QTPMQYVAUUPJEM-HXUWFJFHSA-N 0 3 330.472 2.763 40 0 EFABHN COC(=O)c1ccc(CN[C@@H](C)[C@H](c2ccccc2)N(C)C)n1C ZINC000585141088 479299033 /nfs/dbraw/zinc/29/90/33/479299033.db2.gz PGQMVGOBDUMILU-KBXCAEBGSA-N 0 3 329.444 2.593 40 0 EFABHN O[C@]1(COc2ccc(Cl)cc2)COCCN(C2CCCC2)C1 ZINC000585281711 479308605 /nfs/dbraw/zinc/30/86/05/479308605.db2.gz PXLYQPGBIIFAGK-KRWDZBQOSA-N 0 3 325.836 2.725 40 0 EFABHN O=C(CCCc1ccccc1)NCC1CCN([C@@H]2CCOC2)CC1 ZINC000575608809 479451344 /nfs/dbraw/zinc/45/13/44/479451344.db2.gz VHVWCYBIYIZISU-LJQANCHMSA-N 0 3 330.472 2.626 40 0 EFABHN CC[C@H](C(=O)NCC1CCN([C@H]2CCOC2)CC1)c1ccccc1 ZINC000575608369 479451751 /nfs/dbraw/zinc/45/17/51/479451751.db2.gz SKAXBQSIIJANQU-OALUTQOASA-N 0 3 330.472 2.797 40 0 EFABHN COCCN1CCC(NC(=O)c2ccc(F)c3ccccc23)CC1 ZINC000253428792 523816710 /nfs/dbraw/zinc/81/67/10/523816710.db2.gz FCBJCAQWDPHECX-UHFFFAOYSA-N 0 3 330.403 2.820 40 0 EFABHN CN1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2CCOc3ccccc32)C1 ZINC000245316728 536474911 /nfs/dbraw/zinc/47/49/11/536474911.db2.gz KJZIICMAGKMOKZ-JFIYKMOQSA-N 0 3 343.471 2.678 40 0 EFABHN CC(C)c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C)n(C)n1 ZINC000257258114 535358574 /nfs/dbraw/zinc/35/85/74/535358574.db2.gz KSLCBXVNJURDCC-KUZCPNRJSA-N 0 3 330.476 2.631 40 0 EFABHN CN(C)CCN(C)C(=O)Cn1cccc2cc(-c3ccccc3)nc1-2 ZINC000257229309 535847955 /nfs/dbraw/zinc/84/79/55/535847955.db2.gz FXOWWKITLVCPNA-UHFFFAOYSA-N 0 3 336.439 2.675 40 0 EFABHN COC(=O)c1ccc(Cl)c(NC(=S)NC2CCN(C)CC2)c1 ZINC000225800062 536712439 /nfs/dbraw/zinc/71/24/39/536712439.db2.gz LBASYPAQDVJZJZ-UHFFFAOYSA-N 0 3 341.864 2.507 40 0 EFABHN COC(=O)[C@@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1 ZINC000146230747 1296574611 /nfs/dbraw/zinc/57/46/11/1296574611.db2.gz FPLKLNINPXCYAO-FQEVSTJZSA-N 0 3 338.451 2.936 40 0 EFABHN C[NH+](C)CCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl ZINC000054362928 214234692 /nfs/dbraw/zinc/23/46/92/214234692.db2.gz XFHRYUIKIWEQHF-UHFFFAOYSA-N 0 3 345.679 2.877 40 0 EFABHN C[C@@H](C(=O)N(Cc1ccco1)C1CCN(C)CC1)c1cccnc1 ZINC000174826614 231319882 /nfs/dbraw/zinc/31/98/82/231319882.db2.gz GBZFCWMFLYGHII-OAHLLOKOSA-N 0 3 327.428 2.901 40 0 EFABHN O=C(c1ncncc1Cl)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000178610704 232300526 /nfs/dbraw/zinc/30/05/26/232300526.db2.gz ZTAYFVXRXRHLNY-CYBMUJFWSA-N 0 3 328.803 2.755 40 0 EFABHN CC(C)COc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cn1 ZINC000102716146 219224547 /nfs/dbraw/zinc/22/45/47/219224547.db2.gz CETJYRWIYLJYFX-INIZCTEOSA-N 0 3 330.432 2.594 40 0 EFABHN O=C(NCc1ccco1)c1cccc(CN2CCCC[C@@H]2CCO)c1 ZINC000069249931 215372937 /nfs/dbraw/zinc/37/29/37/215372937.db2.gz CHGCJDRXWZQHCM-GOSISDBHSA-N 0 3 342.439 2.947 40 0 EFABHN CCc1cnc(N2CCC3(C2)CCN(Cc2ccccn2)CC3)nc1 ZINC000104487741 219389835 /nfs/dbraw/zinc/38/98/35/219389835.db2.gz BLXFKVUHACMRMZ-UHFFFAOYSA-N 0 3 337.471 2.927 40 0 EFABHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1Cc2ccccc2O1 ZINC000040013510 213250145 /nfs/dbraw/zinc/25/01/45/213250145.db2.gz BDNZQEFXDKBMTH-ICSRJNTNSA-N 0 3 336.435 2.943 40 0 EFABHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000037171433 213134721 /nfs/dbraw/zinc/13/47/21/213134721.db2.gz OXPZFVCBKUMFQO-UGSOOPFHSA-N 0 3 339.395 2.849 40 0 EFABHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000037171430 213134053 /nfs/dbraw/zinc/13/40/53/213134053.db2.gz OXPZFVCBKUMFQO-FZKQIMNGSA-N 0 3 339.395 2.849 40 0 EFABHN CCN1CCC[C@@H]1CNC(=O)c1cc(F)cc(Br)c1 ZINC000036393523 213095928 /nfs/dbraw/zinc/09/59/28/213095928.db2.gz VQNFDHWHYYBVAM-CYBMUJFWSA-N 0 3 329.213 2.802 40 0 EFABHN Cc1cc(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)co1 ZINC000187735347 236287043 /nfs/dbraw/zinc/28/70/43/236287043.db2.gz NJDHKHVBPNRZAD-LJQANCHMSA-N 0 3 342.439 2.763 40 0 EFABHN Cc1cccc(OCc2nnc(SCCN3CCCC3)n2C)c1 ZINC000035311652 213019903 /nfs/dbraw/zinc/01/99/03/213019903.db2.gz VDPLJOZFRFKCAA-UHFFFAOYSA-N 0 3 332.473 2.890 40 0 EFABHN NC(=O)c1c2c(sc1NC(=O)CNC1CCCCC1)CCCC2 ZINC000035316171 213020714 /nfs/dbraw/zinc/02/07/14/213020714.db2.gz XYGVCIRVHKMEHQ-UHFFFAOYSA-N 0 3 335.473 2.587 40 0 EFABHN Cc1c(C)n(C)c2ccc(C(=O)Nc3cnn(CCN(C)C)c3)cc12 ZINC000072246672 216082118 /nfs/dbraw/zinc/08/21/18/216082118.db2.gz MJWXUTSFHXXISY-UHFFFAOYSA-N 0 3 339.443 2.806 40 0 EFABHN Oc1ccc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc1 ZINC000072327121 216152142 /nfs/dbraw/zinc/15/21/42/216152142.db2.gz FPKZGOKYPUTZJJ-UHFFFAOYSA-N 0 3 348.450 2.872 40 0 EFABHN CCc1nccn1-c1nccnc1[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000072350557 216162493 /nfs/dbraw/zinc/16/24/93/216162493.db2.gz FUQDPRGPTWJRAU-QGZVFWFLSA-N 0 3 348.454 2.999 40 0 EFABHN Cc1nccn1-c1nccnc1[C@H]1CCCN(Cc2cccnc2)C1 ZINC000072350556 216162888 /nfs/dbraw/zinc/16/28/88/216162888.db2.gz ZPEZRUHLRNNDNZ-KRWDZBQOSA-N 0 3 334.427 2.745 40 0 EFABHN Cc1nccn1-c1cncc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072355433 216163478 /nfs/dbraw/zinc/16/34/78/216163478.db2.gz XHEFFTNOTGMBAR-QGZVFWFLSA-N 0 3 334.427 2.745 40 0 EFABHN CCc1nccn1-c1cncc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072355436 216164636 /nfs/dbraw/zinc/16/46/36/216164636.db2.gz ODWUFHNZWHXGQD-KRWDZBQOSA-N 0 3 348.454 2.999 40 0 EFABHN CC(C)N1CCC(c2nccnc2Oc2ccc(C(N)=O)cc2)CC1 ZINC000072361656 216167788 /nfs/dbraw/zinc/16/77/88/216167788.db2.gz BVXJECUOINWMGJ-UHFFFAOYSA-N 0 3 340.427 2.956 40 0 EFABHN COCCN1CCC(c2nccnc2Nc2ncccc2C)CC1 ZINC000072367901 216175186 /nfs/dbraw/zinc/17/51/86/216175186.db2.gz QTIWWZOCLAXOCR-UHFFFAOYSA-N 0 3 327.432 2.749 40 0 EFABHN CN1CCC[C@@H](Cc2cnc(C(=O)N3CCCCCCC3)cn2)C1 ZINC000072369350 216175896 /nfs/dbraw/zinc/17/58/96/216175896.db2.gz URMYALMELUKNRL-INIZCTEOSA-N 0 3 330.476 2.767 40 0 EFABHN CC(=O)NCc1cncc([C@@H]2CCCN2CCc2ccc(F)cc2)n1 ZINC000072379607 216180564 /nfs/dbraw/zinc/18/05/64/216180564.db2.gz YEBGHTZNFCOEFP-IBGZPJMESA-N 0 3 342.418 2.631 40 0 EFABHN Cc1nc(C(=O)NCc2ccc(F)cc2)cc(C2CCN(C)CC2)n1 ZINC000072382886 216184490 /nfs/dbraw/zinc/18/44/90/216184490.db2.gz QDPDXOZOFGFNPG-UHFFFAOYSA-N 0 3 342.418 2.663 40 0 EFABHN CN1CCc2nc([C@@H]3CCN(C(=O)CC4CCCCC4)C3)ncc2C1 ZINC000072390926 216191291 /nfs/dbraw/zinc/19/12/91/216191291.db2.gz RKLVOYCZARZNHG-MRXNPFEDSA-N 0 3 342.487 2.751 40 0 EFABHN c1cncc(CN2CCC[C@H](Cc3ccc(N4CCCC4)nn3)C2)c1 ZINC000072387313 216186754 /nfs/dbraw/zinc/18/67/54/216186754.db2.gz MPHVPCQNYCTHMO-QGZVFWFLSA-N 0 3 337.471 2.927 40 0 EFABHN O=c1cc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393076 216191500 /nfs/dbraw/zinc/19/15/00/216191500.db2.gz BEMSKFYODNEQOH-QGZVFWFLSA-N 0 3 347.422 2.607 40 0 EFABHN O=c1cc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393076 216191501 /nfs/dbraw/zinc/19/15/01/216191501.db2.gz BEMSKFYODNEQOH-QGZVFWFLSA-N 0 3 347.422 2.607 40 0 EFABHN COCCN1CCN(Cc2c3cccnc3[nH]c2C(C)(C)C)CC1 ZINC000072393633 216192331 /nfs/dbraw/zinc/19/23/31/216192331.db2.gz VPFOMPDLWIOUSU-UHFFFAOYSA-N 0 3 330.476 2.624 40 0 EFABHN Cc1cccc(OCC(=O)NCC2CCN(Cc3ccco3)CC2)c1 ZINC000023128039 212352536 /nfs/dbraw/zinc/35/25/36/212352536.db2.gz RDBMRXGOYGDQRL-UHFFFAOYSA-N 0 3 342.439 2.995 40 0 EFABHN O[C@H](CN1CCC[C@@H](c2nncn2C2CC2)C1)c1ccc(F)cc1 ZINC000195549431 241000088 /nfs/dbraw/zinc/00/00/88/241000088.db2.gz YPNQCGZQYMBYRB-RHSMWYFYSA-N 0 3 330.407 2.665 40 0 EFABHN CN(C)CCNc1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1 ZINC000199799486 241039754 /nfs/dbraw/zinc/03/97/54/241039754.db2.gz HMMYCKOYHFSTTA-UHFFFAOYSA-N 0 3 328.754 2.520 40 0 EFABHN FC(F)(F)c1cccc(Cc2nsc(N3CCNCC3)n2)c1 ZINC000216642196 241202473 /nfs/dbraw/zinc/20/24/73/241202473.db2.gz KFMKKHIEOZZLIR-UHFFFAOYSA-N 0 3 328.363 2.557 40 0 EFABHN CCOC[C@@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218037781 241292701 /nfs/dbraw/zinc/29/27/01/241292701.db2.gz LJBXAPWNYOTERF-FHWLQOOXSA-N 0 3 345.464 2.608 40 0 EFABHN CC[C@@H](NC[C@@]1(O)CCOC1)c1cc(F)cc(Br)c1 ZINC000225549780 241923529 /nfs/dbraw/zinc/92/35/29/241923529.db2.gz YOFMMBOGDCXWQS-KGLIPLIRSA-N 0 3 332.213 2.780 40 0 EFABHN Cc1nsc(N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000242346993 243019226 /nfs/dbraw/zinc/01/92/26/243019226.db2.gz ZKXPETXMHOPZPO-KRWDZBQOSA-N 0 3 346.500 2.728 40 0 EFABHN CC(C)Cc1nsc(NC2CCN([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000253630084 244041904 /nfs/dbraw/zinc/04/19/04/244041904.db2.gz AKTKPKTVSJGYAP-LSDHHAIUSA-N 0 3 338.521 2.916 40 0 EFABHN CC1=C2C[C@@H]3[C@H](CN4CCN(C)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000020412280 212127246 /nfs/dbraw/zinc/12/72/46/212127246.db2.gz ZUKCIQSRUJAJJS-YNVMFWSZSA-N 0 3 332.488 2.692 40 0 biogenic EFABHN COc1ccc(CCNCc2cc(C(F)(F)F)nn2C)cc1OC ZINC000256053695 244066961 /nfs/dbraw/zinc/06/69/61/244066961.db2.gz SMAYLTVCAATOKR-UHFFFAOYSA-N 0 3 343.349 2.788 40 0 EFABHN COc1ccc(CCNCc2cnn(C)c2C(F)(F)F)cc1OC ZINC000256051830 244067085 /nfs/dbraw/zinc/06/70/85/244067085.db2.gz KQWSPFKGJPZSHL-UHFFFAOYSA-N 0 3 343.349 2.788 40 0 EFABHN CNc1cc(C)nc([C@@H]2CN(C(=O)c3ccccc3OC)CCO2)c1 ZINC000257200746 244117564 /nfs/dbraw/zinc/11/75/64/244117564.db2.gz AETAUBRFUIINKG-SFHVURJKSA-N 0 3 341.411 2.654 40 0 EFABHN Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)/C=C/c3cccnc3)C2)n1 ZINC000257214477 244162486 /nfs/dbraw/zinc/16/24/86/244162486.db2.gz CMCWYQHNPKFJOV-LXXRFIIISA-N 0 3 336.439 2.880 40 0 EFABHN Cn1cc(CN2CCN(C)C[C@@H](Cc3cccc4cccnc43)C2)cn1 ZINC000257231371 244214035 /nfs/dbraw/zinc/21/40/35/244214035.db2.gz GGKJSMKVUXBHRD-QGZVFWFLSA-N 0 3 349.482 2.575 40 0 EFABHN Cn1cncc1CN1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257244199 244252836 /nfs/dbraw/zinc/25/28/36/244252836.db2.gz IKIWNZKFUGVPGB-BJLQDIEVSA-N 0 3 338.455 2.795 40 0 EFABHN Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000257235923 244229848 /nfs/dbraw/zinc/22/98/48/244229848.db2.gz HACFBNAMRYWXFM-INIZCTEOSA-N 0 3 334.427 2.950 40 0 EFABHN Cc1nc(-c2nccn2C)cc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000257240212 244240588 /nfs/dbraw/zinc/24/05/88/244240588.db2.gz HSOOCVPZKYZYLR-QGZVFWFLSA-N 0 3 348.454 2.960 40 0 EFABHN Cc1ncc(-c2nccnc2C2CCN(Cc3cccnc3)CC2)n1C ZINC000257241981 244244460 /nfs/dbraw/zinc/24/44/60/244244460.db2.gz IAMYWHUKJYUPOK-UHFFFAOYSA-N 0 3 348.454 2.960 40 0 EFABHN c1ccc(Nc2cc(CC3CCN([C@H]4CCOC4)CC3)ncn2)nc1 ZINC000257261318 244346391 /nfs/dbraw/zinc/34/63/91/244346391.db2.gz LGTAZRRHIYMDSA-KRWDZBQOSA-N 0 3 339.443 2.659 40 0 EFABHN NCc1cn(-c2ccccc2C(=O)NCc2cccc(Cl)c2)cn1 ZINC000257272324 244381895 /nfs/dbraw/zinc/38/18/95/244381895.db2.gz NBZZCYBBJAEJHV-UHFFFAOYSA-N 0 3 340.814 2.914 40 0 EFABHN CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)C(C)C ZINC000079410221 284193282 /nfs/dbraw/zinc/19/32/82/284193282.db2.gz MEELSOBURCLVDH-KFWWJZLASA-N 0 3 341.496 2.654 40 0 EFABHN CCc1nnsc1C(=O)N1CCCC[C@H]1CN1CCCCCC1 ZINC000019521868 212036433 /nfs/dbraw/zinc/03/64/33/212036433.db2.gz SXBMFYYKBOURJD-AWEZNQCLSA-N 0 3 336.505 2.971 40 0 EFABHN CC1CCN(CCNC(=O)CCc2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000019496903 212031760 /nfs/dbraw/zinc/03/17/60/212031760.db2.gz ZKBUUQMYRNHFBA-UHFFFAOYSA-N 0 3 348.878 2.997 40 0 EFABHN CC(C)c1nc2c(c(=O)[nH]1)CCN(Cc1ccc(F)c(F)c1)CC2 ZINC000019453747 212028810 /nfs/dbraw/zinc/02/88/10/212028810.db2.gz QULMWNKPLGXAPG-UHFFFAOYSA-N 0 3 333.382 2.772 40 0 EFABHN O[C@@H]1C[C@H]2CN(Cc3cccc(F)c3)[C@@H](Cc3ccccc3)CN2C1 ZINC000019372789 212023134 /nfs/dbraw/zinc/02/31/34/212023134.db2.gz OGTLWVMXVMKMQK-PCCBWWKXSA-N 0 3 340.442 2.688 40 0 EFABHN O=C1NC2(C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)Nc2ncccc21 ZINC000019371551 212022810 /nfs/dbraw/zinc/02/28/10/212022810.db2.gz KYIZZHYPWGRGTR-NYTJIUQPSA-N 0 3 334.423 2.760 40 0 EFABHN c1csc(CN2CCC[C@H](Cn3nnc(-c4cccnc4)n3)C2)c1 ZINC000019341587 212017814 /nfs/dbraw/zinc/01/78/14/212017814.db2.gz PAPMYWQIEZIQLB-AWEZNQCLSA-N 0 3 340.456 2.709 40 0 EFABHN Fc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3N2CCOCC2)cc1F ZINC000019292829 212012996 /nfs/dbraw/zinc/01/29/96/212012996.db2.gz LAJNUZGDMRUPFN-MCPYQZEQSA-N 0 3 336.426 2.898 40 0 EFABHN O=C(CC1CCCCC1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019292345 212012199 /nfs/dbraw/zinc/01/21/99/212012199.db2.gz HKRXPBDLLWXMSX-KRWDZBQOSA-N 0 3 328.460 2.756 40 0 EFABHN CCN1CCN(CCC(=O)NCCc2cccc3ccccc32)CC1 ZINC000078394352 217046868 /nfs/dbraw/zinc/04/68/68/217046868.db2.gz SLOJCHDSXFYPQU-UHFFFAOYSA-N 0 3 339.483 2.526 40 0 EFABHN CCN1CCCC[C@@H]1C(=O)NCc1cccc(Cn2ccnc2C)c1 ZINC000078498585 217062999 /nfs/dbraw/zinc/06/29/99/217062999.db2.gz UZQHBTBGQCXYLF-LJQANCHMSA-N 0 3 340.471 2.730 40 0 EFABHN Cn1cc(CNCc2ccccc2-n2ccnc2)c(-c2ccncc2)n1 ZINC000078612730 217087415 /nfs/dbraw/zinc/08/74/15/217087415.db2.gz BKWCKYYZFFYGRL-UHFFFAOYSA-N 0 3 344.422 2.958 40 0 EFABHN Cc1cc(C)cc([C@H](C)NCc2cnc(N3CCOCC3)nc2)c1 ZINC000078656938 217097256 /nfs/dbraw/zinc/09/72/56/217097256.db2.gz MZMLCCLRTXPOGU-INIZCTEOSA-N 0 3 326.444 2.781 40 0 EFABHN C[C@H](NC1(CNC(=O)c2ccccn2)CCOCC1)c1ccccc1 ZINC000079096378 217191537 /nfs/dbraw/zinc/19/15/37/217191537.db2.gz AZFVICWMUCJMPM-INIZCTEOSA-N 0 3 339.439 2.711 40 0 EFABHN C[C@@H](NC1(CNC(=O)c2ccncc2)CCOCC1)c1ccccc1 ZINC000079096207 217191800 /nfs/dbraw/zinc/19/18/00/217191800.db2.gz KNRQSPWWQQAMAF-MRXNPFEDSA-N 0 3 339.439 2.711 40 0 EFABHN Cc1cc(NC[C@H]2CCCN(C)[C@H]2c2cccs2)n2ncnc2n1 ZINC000110627405 220049752 /nfs/dbraw/zinc/04/97/52/220049752.db2.gz QJLQQKPCMNBFNY-CZUORRHYSA-N 0 3 342.472 2.989 40 0 EFABHN C[C@@H]1CN(CCCCNC(=O)[C@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC000110674648 220053911 /nfs/dbraw/zinc/05/39/11/220053911.db2.gz OORQTFXGOOOKQX-JZXOWHBKSA-N 0 3 346.471 2.558 40 0 EFABHN COc1ccc(C[C@@H](C)CNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000110695707 220056395 /nfs/dbraw/zinc/05/63/95/220056395.db2.gz GCBRCEYZHIMEER-JTDSTZFVSA-N 0 3 347.503 2.855 40 0 EFABHN CC[C@H](N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[C@@H]1CCCO1 ZINC000110704571 220059212 /nfs/dbraw/zinc/05/92/12/220059212.db2.gz WMRGCRJMFHHSRZ-UGFHNGPFSA-N 0 3 329.437 2.837 40 0 EFABHN CC(C)N(C[C@@H]1CCCN(CCO)C1)C(=O)OCc1ccccc1 ZINC000079411176 217221989 /nfs/dbraw/zinc/22/19/89/217221989.db2.gz YNNSDPVHILXRRQ-GOSISDBHSA-N 0 3 334.460 2.738 40 0 EFABHN CC(C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C(F)(F)F ZINC000079460018 217228308 /nfs/dbraw/zinc/22/83/08/217228308.db2.gz LGOFXBWSDPCKLA-LURJTMIESA-N 0 3 344.742 2.848 40 0 EFABHN CC[C@H](NC(=O)NCCN1CCC(OC)CC1)c1ccc(C)cc1 ZINC000080057156 217275642 /nfs/dbraw/zinc/27/56/42/217275642.db2.gz XVRJZBLWDGXEGL-SFHVURJKSA-N 0 3 333.476 2.856 40 0 EFABHN O=C(c1cc2nccnc2cc1F)N1CCC[C@@H]1CN1CCCCC1 ZINC000240707833 296198880 /nfs/dbraw/zinc/19/88/80/296198880.db2.gz HQTHADPJMSGTTO-CQSZACIVSA-N 0 3 342.418 2.859 40 0 EFABHN COc1ccc(CN2CCC(O)(c3ccc(C)cc3)CC2)cc1CO ZINC000012292977 211335237 /nfs/dbraw/zinc/33/52/37/211335237.db2.gz UXPYFFHYGRNUQP-UHFFFAOYSA-N 0 3 341.451 2.980 40 0 EFABHN CCOC(=O)[C@]1(Cc2cc(-c3cccc(F)c3)no2)CCCNC1 ZINC000012275194 211333941 /nfs/dbraw/zinc/33/39/41/211333941.db2.gz SVCOSIIRXLUCBT-SFHVURJKSA-N 0 3 332.375 2.956 40 0 EFABHN O=C(NC1CCN(CC2(c3ccccc3)CC2)CC1)C1CCOCC1 ZINC000012187150 211313983 /nfs/dbraw/zinc/31/39/83/211313983.db2.gz KTRBCPXNUDAQJM-UHFFFAOYSA-N 0 3 342.483 2.725 40 0 EFABHN CC1CCN(C[C@H](O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1 ZINC000012181048 211310825 /nfs/dbraw/zinc/31/08/25/211310825.db2.gz CXEQDEYROKSWSL-IBGZPJMESA-N 0 3 328.456 2.751 40 0 EFABHN COc1ccc(C2(CN3CCC(NC(=O)C(C)C)CC3)CC2)cc1 ZINC000012220091 211321760 /nfs/dbraw/zinc/32/17/60/211321760.db2.gz PBOWUWKQKUFBSH-UHFFFAOYSA-N 0 3 330.472 2.963 40 0 EFABHN CN1CCN(c2ncc(CN3CCC[C@]4(CC=CCC4)C3)cn2)CC1 ZINC000093439501 218226128 /nfs/dbraw/zinc/22/61/28/218226128.db2.gz KELSAXKCKBOSSW-HXUWFJFHSA-N 0 3 341.503 2.551 40 0 EFABHN O=S(=O)([N-]Cc1ccc(C[NH+]2CCCC2)cc1)c1cccs1 ZINC000009112149 211040137 /nfs/dbraw/zinc/04/01/37/211040137.db2.gz CKSROPOIMVGMFC-UHFFFAOYSA-N 0 3 336.482 2.822 40 0 EFABHN CCC[C@@H]1SCCN1C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000095405609 218341407 /nfs/dbraw/zinc/34/14/07/218341407.db2.gz XGNHWDUGILWCTG-INIZCTEOSA-N 0 3 336.505 2.684 40 0 EFABHN C[C@H](NCCOc1ccc(F)cc1F)c1ccc(-n2cnnn2)cc1 ZINC000095423596 218365838 /nfs/dbraw/zinc/36/58/38/218365838.db2.gz XYJOFDQWOZUOFN-LBPRGKRZSA-N 0 3 345.353 2.670 40 0 EFABHN COc1ccc(C[C@H](C)CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1 ZINC000095443579 218387883 /nfs/dbraw/zinc/38/78/83/218387883.db2.gz GCBRCEYZHIMEER-FCEWJHQRSA-N 0 3 347.503 2.855 40 0 EFABHN c1csc(CN2CCOC3(CCN(Cc4ccoc4)CC3)C2)n1 ZINC000096048974 218537532 /nfs/dbraw/zinc/53/75/32/218537532.db2.gz AHCJGZKUNTZQMJ-UHFFFAOYSA-N 0 3 333.457 2.603 40 0 EFABHN Cc1ccc(CNC[C@@H]2Cn3nnc(-c4ccsc4)c3CO2)o1 ZINC000096061044 218554356 /nfs/dbraw/zinc/55/43/56/218554356.db2.gz DAIGTNGNKXWZRV-CQSZACIVSA-N 0 3 330.413 2.597 40 0 EFABHN COCCN1CC2(CC1=O)CCN(Cc1ccc(Cl)cc1)CC2 ZINC000108531165 285008329 /nfs/dbraw/zinc/00/83/29/285008329.db2.gz ZBZLEUDIGYDOGT-UHFFFAOYSA-N 0 3 336.863 2.801 40 0 EFABHN COc1ccccc1NC(=O)C[C@@H](C)NC[C@](C)(O)c1cccs1 ZINC000096478127 218855162 /nfs/dbraw/zinc/85/51/62/218855162.db2.gz FTCFBYACFAOOQJ-ACJLOTCBSA-N 0 3 348.468 2.971 40 0 EFABHN CCN1CCC[C@@H]1CNC(=O)Nc1c[nH]c2cc(Cl)ccc2c1=O ZINC000004908046 210319677 /nfs/dbraw/zinc/31/96/77/210319677.db2.gz UITMDFSXBGPNRC-GFCCVEGCSA-N 0 3 348.834 2.787 40 0 EFABHN O=C(NCc1ccccc1CN1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000097238284 219003429 /nfs/dbraw/zinc/00/34/29/219003429.db2.gz LZPQDRRCBQAENV-IBGZPJMESA-N 0 3 342.414 2.712 40 0 EFABHN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NCCn2ccnc2)cc1 ZINC000097375025 219018463 /nfs/dbraw/zinc/01/84/63/219018463.db2.gz KOOADZUSHYLTKD-MSOLQXFVSA-N 0 3 347.484 2.566 40 0 EFABHN O[C@H](CN1CCCCC1)c1ccc(I)cc1 ZINC000006536065 285349202 /nfs/dbraw/zinc/34/92/02/285349202.db2.gz AUMJBIPLLCCDSA-CYBMUJFWSA-N 0 3 331.197 2.811 40 0 EFABHN CCN1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2N)CC1 ZINC000226263450 135592655 /nfs/dbraw/zinc/59/26/55/135592655.db2.gz XHUZBWCNSWAERQ-UHFFFAOYSA-N 0 3 342.418 2.802 40 0 EFABHN Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[C@@H](CN(C)C)O3)cc1F ZINC000096206755 292063302 /nfs/dbraw/zinc/06/33/02/292063302.db2.gz YKGIYXJVFDIGJI-QFBILLFUSA-N 0 3 334.435 2.850 40 0 EFABHN COc1cc(OC)nc(N2CCCN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000342353149 145107062 /nfs/dbraw/zinc/10/70/62/145107062.db2.gz VZPDHAMMZDDZLV-HNNXBMFYSA-N 0 3 342.443 2.595 40 0 EFABHN CCn1nc(C)c(C(=O)NCC2CCN(c3ccncc3)CC2)c1C ZINC000271535455 266003021 /nfs/dbraw/zinc/00/30/21/266003021.db2.gz CPCNQMYRAZOWFE-UHFFFAOYSA-N 0 3 341.459 2.561 40 0 EFABHN COCCC(=O)N1CCCC12CCN(Cc1cccc(F)c1)CC2 ZINC000096075196 274018544 /nfs/dbraw/zinc/01/85/44/274018544.db2.gz VVTQNZKBHNTMSG-UHFFFAOYSA-N 0 3 334.435 2.819 40 0 EFABHN COCCN1CCC2(CN(C(=O)C3CC3)c3ccc(F)cc32)CC1 ZINC000096161040 274026096 /nfs/dbraw/zinc/02/60/96/274026096.db2.gz YKMGBTFFYZVLPY-UHFFFAOYSA-N 0 3 332.419 2.562 40 0 EFABHN CO[C@H]1CCN(Cc2cccs2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096109457 274080888 /nfs/dbraw/zinc/08/08/88/274080888.db2.gz BJXXWUSNCNMZCF-OTWHNJEPSA-N 0 3 343.496 2.864 40 0 EFABHN COc1cc2c(c(OC)c1OC)CCN(CCc1ccccn1)CC2 ZINC000253433082 274100694 /nfs/dbraw/zinc/10/06/94/274100694.db2.gz RPOJBHNPDZBVAL-UHFFFAOYSA-N 0 3 342.439 2.751 40 0 EFABHN COc1cccc([C@H]2Cn3ccnc3CN2C2CCN(C)CC2)c1 ZINC000257216168 274149238 /nfs/dbraw/zinc/14/92/38/274149238.db2.gz CTKVDDZGZODDQL-GOSISDBHSA-N 0 3 326.444 2.543 40 0 EFABHN O=C1N(CC2CC2)c2ccccc2[C@@]12CCN(Cc1ccncc1)C2 ZINC000096100336 275021375 /nfs/dbraw/zinc/02/13/75/275021375.db2.gz QKDJZCKEFKQOMM-NRFANRHFSA-N 0 3 333.435 2.982 40 0 EFABHN CC(C)(CN[C@@H]1CCc2c1cc(Br)cc2F)C(N)=O ZINC000195558816 275549540 /nfs/dbraw/zinc/54/95/40/275549540.db2.gz XCETYRJPSWZLON-GFCCVEGCSA-N 0 3 329.213 2.677 40 0 EFABHN CC(=O)c1c(F)cc(F)cc1OC[C@H](O)CN1CCC(C)CC1 ZINC000095439113 277102468 /nfs/dbraw/zinc/10/24/68/277102468.db2.gz MHRWLYGZIWETLC-CQSZACIVSA-N 0 3 327.371 2.639 40 0 EFABHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000195561660 277284593 /nfs/dbraw/zinc/28/45/93/277284593.db2.gz KLVIAGOJILPPTJ-USXIJHARSA-N 0 3 325.474 2.704 40 0 EFABHN CO[C@@H]1CCN(Cc2c(C)noc2C)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096108600 277292875 /nfs/dbraw/zinc/29/28/75/277292875.db2.gz QIMBVBVNQVOALR-IPMKNSEASA-N 0 3 345.443 2.606 40 0 EFABHN CN(C)C(=O)C[C@H]1CC2(CCN([C@@H]3CCOC3)CC2)c2ccccc21 ZINC000096241994 281941392 /nfs/dbraw/zinc/94/13/92/281941392.db2.gz WMALKUCGYCAAQO-DLBZAZTESA-N 0 3 342.483 2.775 40 0 EFABHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000248757259 290032703 /nfs/dbraw/zinc/03/27/03/290032703.db2.gz VJLVPKAVHYJZTB-DXEWXGHRSA-N 0 3 335.469 2.698 40 0 EFABHN C[C@@](CO)(NCc1ccc(S(C)(=O)=O)s1)C1CCCCC1 ZINC000331318281 311367345 /nfs/dbraw/zinc/36/73/45/311367345.db2.gz DMOYUGHOELRZMA-HNNXBMFYSA-N 0 3 331.503 2.573 40 0 EFABHN C[C@](CO)(NCc1ccc(S(C)(=O)=O)s1)C1CCCCC1 ZINC000331318282 311367364 /nfs/dbraw/zinc/36/73/64/311367364.db2.gz DMOYUGHOELRZMA-OAHLLOKOSA-N 0 3 331.503 2.573 40 0 EFABHN CCS(=O)(=O)C[C@H](C)N[C@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000097230732 323214012 /nfs/dbraw/zinc/21/40/12/323214012.db2.gz XUJUSWYKPOFPKS-HOCLYGCPSA-N 0 3 342.480 2.516 40 0 EFABHN CN(C)CCn1cc(NCc2cc(F)ccc2Br)cn1 ZINC000090184667 472607964 /nfs/dbraw/zinc/60/79/64/472607964.db2.gz WIYVQHKJSUOQCQ-UHFFFAOYSA-N 0 3 341.228 2.958 40 0 EFABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccsc3)C[C@@H]21)N1CCCC1 ZINC000096043434 473264852 /nfs/dbraw/zinc/26/48/52/473264852.db2.gz GATFATGCZUPUOX-BRWVUGGUSA-N 0 3 334.485 2.598 40 0 EFABHN O=C(c1cscn1)N1CCC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096046537 473266381 /nfs/dbraw/zinc/26/63/81/473266381.db2.gz CIBDMOAUOUKIER-UHFFFAOYSA-N 0 3 331.441 2.864 40 0 EFABHN O=C(c1cnccn1)N1CCC2(CCN(Cc3ccco3)CC2)CC1 ZINC000096047311 473268131 /nfs/dbraw/zinc/26/81/31/473268131.db2.gz DPYPVKKNVNTAHB-UHFFFAOYSA-N 0 3 340.427 2.588 40 0 EFABHN O=C(Cc1cccnc1)N1CCC[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096047109 473269021 /nfs/dbraw/zinc/26/90/21/473269021.db2.gz RMOPKOVTZUGEQC-HXUWFJFHSA-N 0 3 339.439 2.732 40 0 EFABHN Cn1cc(CN2CCC[C@]3(CCN(Cc4ccsc4)C3)C2)cn1 ZINC000096046977 473269096 /nfs/dbraw/zinc/26/90/96/473269096.db2.gz XCPBOJIXTOAVRZ-SFHVURJKSA-N 0 3 330.501 2.970 40 0 EFABHN Cc1ccc(CN2CCC3(C[C@H](N4CCOCC4)CO3)CC2)s1 ZINC000096047966 473269381 /nfs/dbraw/zinc/26/93/81/473269381.db2.gz RCFNDJRDYRTNMM-INIZCTEOSA-N 0 3 336.501 2.512 40 0 EFABHN c1cc(CN2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096048338 473271735 /nfs/dbraw/zinc/27/17/35/473271735.db2.gz YCWLQZVJFMNDNN-WBVHZDCISA-N 0 3 330.457 2.774 40 0 EFABHN COc1ccc(CN2CCC3(CC2)COCCN3CC2CC2)cc1 ZINC000096048918 473271779 /nfs/dbraw/zinc/27/17/79/473271779.db2.gz RTBGGFAFXQXYCZ-UHFFFAOYSA-N 0 3 330.472 2.772 40 0 EFABHN CN1CC(=O)N(c2ccccc2)C[C@]12CCN(Cc1cccs1)C2 ZINC000096050208 473273618 /nfs/dbraw/zinc/27/36/18/473273618.db2.gz HFMJLHNLRBLXQZ-LJQANCHMSA-N 0 3 341.480 2.671 40 0 EFABHN CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1ccsc1)C2 ZINC000096050209 473273705 /nfs/dbraw/zinc/27/37/05/473273705.db2.gz STKUFVPFRNPCCH-IBGZPJMESA-N 0 3 341.480 2.671 40 0 EFABHN c1csc(CN2CCC[C@@]3(C2)COCCN(c2cncnc2)C3)c1 ZINC000096049530 473273752 /nfs/dbraw/zinc/27/37/52/473273752.db2.gz YNCODFZWNYMUAL-SFHVURJKSA-N 0 3 344.484 2.657 40 0 EFABHN CN(Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1cnccn1)CC2 ZINC000096051587 473274972 /nfs/dbraw/zinc/27/49/72/473274972.db2.gz YCUOXXRMZPZGMA-KRWDZBQOSA-N 0 3 340.427 2.586 40 0 EFABHN Cc1noc(C)c1CN1C[C@]2(CCN(Cc3cccs3)C2)CC1=O ZINC000096050943 473275293 /nfs/dbraw/zinc/27/52/93/473275293.db2.gz CDBSZTQTHGNOJC-GOSISDBHSA-N 0 3 345.468 2.978 40 0 EFABHN COc1ccc(CN2C[C@@H]3C(=O)N(c4ccsc4)C[C@@H]3C2)cc1 ZINC000096053686 473275366 /nfs/dbraw/zinc/27/53/66/473275366.db2.gz GEMKIUUZWCEECW-YOEHRIQHSA-N 0 3 328.437 2.852 40 0 EFABHN O=C(N[C@@H]1CCC12CCN(Cc1ccsc1)CC2)c1cnccn1 ZINC000096051483 473276440 /nfs/dbraw/zinc/27/64/40/473276440.db2.gz LRRRJLOIPZPEDG-MRXNPFEDSA-N 0 3 342.468 2.713 40 0 EFABHN O=C(N[C@H]1CCC12CCN(Cc1ccsc1)CC2)c1cnccn1 ZINC000096051482 473276676 /nfs/dbraw/zinc/27/66/76/473276676.db2.gz LRRRJLOIPZPEDG-INIZCTEOSA-N 0 3 342.468 2.713 40 0 EFABHN Cc1ccc(CN2CC[C@@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)o1 ZINC000096050907 473276969 /nfs/dbraw/zinc/27/69/69/473276969.db2.gz JLUOZIJIANMXDK-GOSISDBHSA-N 0 3 345.468 2.978 40 0 EFABHN c1csc(CN2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC000096055174 473277810 /nfs/dbraw/zinc/27/78/10/473277810.db2.gz YURKWFJEPMYZNM-IEBWSBKVSA-N 0 3 343.496 2.866 40 0 EFABHN c1cc(CN2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)cs1 ZINC000096055176 473278673 /nfs/dbraw/zinc/27/86/73/473278673.db2.gz MQJKXLPNQAOHJC-RTBURBONSA-N 0 3 343.496 2.866 40 0 EFABHN Cc1cccc(CO[C@@H]2C[C@@H]3CN(Cc4cccs4)CCN3C2)n1 ZINC000096055066 473279332 /nfs/dbraw/zinc/27/93/32/473279332.db2.gz ALPOSNWRPHAPTP-QZTJIDSGSA-N 0 3 343.496 2.927 40 0 EFABHN c1cc(CN2CCN3C[C@H](OCc4ccccn4)C[C@H]3C2)cs1 ZINC000096055120 473279388 /nfs/dbraw/zinc/27/93/88/473279388.db2.gz OUPCXOYGLAYPHJ-ZWKOTPCHSA-N 0 3 329.469 2.618 40 0 EFABHN Cc1ccc(CN2CCO[C@@H]3[C@@H](COCCN(C)C)CC[C@@H]32)s1 ZINC000096055207 473279522 /nfs/dbraw/zinc/27/95/22/473279522.db2.gz HEYIOBUAGCPJTH-BPQIPLTHSA-N 0 3 338.517 2.614 40 0 EFABHN c1cc(CN2CCN3C[C@H](OCc4ccccn4)C[C@@H]3C2)cs1 ZINC000096055118 473279877 /nfs/dbraw/zinc/27/98/77/473279877.db2.gz OUPCXOYGLAYPHJ-QZTJIDSGSA-N 0 3 329.469 2.618 40 0 EFABHN CN(Cc1ccco1)C[C@H]1OC[C@@H]2CCN(Cc3ccco3)C[C@@H]21 ZINC000096056292 473281755 /nfs/dbraw/zinc/28/17/55/473281755.db2.gz ZMSOJVXWNHNFSV-ZYSHUDEJSA-N 0 3 330.428 2.842 40 0 EFABHN c1csc(CN2CC[C@@]3(C2)COCCN(Cc2ccncc2)C3)c1 ZINC000096062407 473285697 /nfs/dbraw/zinc/28/56/97/473285697.db2.gz SBYRITAAWVPZAV-IBGZPJMESA-N 0 3 343.496 2.868 40 0 EFABHN c1cc(CNC[C@H]2Cn3nnc(-c4ccsc4)c3CO2)cs1 ZINC000096061035 473285708 /nfs/dbraw/zinc/28/57/08/473285708.db2.gz QACDYBDTQXLUAM-ZDUSSCGKSA-N 0 3 332.454 2.757 40 0 EFABHN c1csc(CNC[C@H]2Cn3nnc(-c4ccsc4)c3CO2)c1 ZINC000096061027 473285747 /nfs/dbraw/zinc/28/57/47/473285747.db2.gz GMNIGSGIGMDMOJ-LBPRGKRZSA-N 0 3 332.454 2.757 40 0 EFABHN O=C(NCc1ccco1)[C@@H]1C[C@H]2OCC[C@H]2N(Cc2cccs2)C1 ZINC000096064942 473286416 /nfs/dbraw/zinc/28/64/16/473286416.db2.gz IAMYBYOGFYLVJO-KBRIMQKVSA-N 0 3 346.452 2.637 40 0 EFABHN O=C(c1ccncc1)N1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000096062847 473288178 /nfs/dbraw/zinc/28/81/78/473288178.db2.gz CKUHOUIIFYWQST-UHFFFAOYSA-N 0 3 336.439 2.605 40 0 EFABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096076256 473290485 /nfs/dbraw/zinc/29/04/85/473290485.db2.gz AWZLXMTXKQSXHK-FQEVSTJZSA-N 0 3 330.472 2.579 40 0 EFABHN Cc1oncc1C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000096079736 473290902 /nfs/dbraw/zinc/29/09/02/473290902.db2.gz VLWKTVRWVGWHTK-MRXNPFEDSA-N 0 3 341.411 2.701 40 0 EFABHN O=C(c1ccncc1)N1C[C@H]2CN(Cc3ccccc3Cl)C[C@@H]2C1 ZINC000096081023 473292894 /nfs/dbraw/zinc/29/28/94/473292894.db2.gz LTSLDESIHMXOAN-IAGOWNOFSA-N 0 3 341.842 2.939 40 0 EFABHN CN1CCN(c2cc([C@H]3c4ccccc4CCCN3C)ccn2)CC1 ZINC000096087168 473293487 /nfs/dbraw/zinc/29/34/87/473293487.db2.gz QHCAXUGFOAAYCE-NRFANRHFSA-N 0 3 336.483 2.801 40 0 EFABHN c1ccc(OC[C@@H]2CC3(CO2)CCN(Cc2cccnc2)CC3)nc1 ZINC000096106204 473298428 /nfs/dbraw/zinc/29/84/28/473298428.db2.gz LNCAMRFTNWPHKK-SFHVURJKSA-N 0 3 339.439 2.927 40 0 EFABHN c1ccc(CN2CCC3(C[C@@H](Oc4ccccn4)CO3)CC2)nc1 ZINC000096106961 473298504 /nfs/dbraw/zinc/29/85/04/473298504.db2.gz JQQJGLJHHICXCQ-QGZVFWFLSA-N 0 3 325.412 2.679 40 0 EFABHN O=C(C1=CCCC1)N1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 ZINC000096108184 473302955 /nfs/dbraw/zinc/30/29/55/473302955.db2.gz MEGPGZACOFAJTB-DOTOQJQBSA-N 0 3 332.469 2.518 40 0 EFABHN Fc1cccc(O[C@H]2C[C@@H]3CN(Cc4cccnc4)CCN3C2)c1 ZINC000096110703 473303358 /nfs/dbraw/zinc/30/33/58/473303358.db2.gz JSBVORPPEWRCAE-MJGOQNOKSA-N 0 3 327.403 2.558 40 0 EFABHN Fc1cccc(O[C@@H]2C[C@@H]3CN(Cc4cccnc4)CCN3C2)c1 ZINC000096110702 473303607 /nfs/dbraw/zinc/30/36/07/473303607.db2.gz JSBVORPPEWRCAE-IEBWSBKVSA-N 0 3 327.403 2.558 40 0 EFABHN Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3c2cnn(C)c2)s1 ZINC000096110761 473304220 /nfs/dbraw/zinc/30/42/20/473304220.db2.gz LBDVDBLIQREAKM-HZPDHXFCSA-N 0 3 330.457 2.560 40 0 EFABHN O=C(NCC1CC1)[C@@H]1CCC2(CCN(Cc3cccc(F)c3)CC2)O1 ZINC000096109911 473304453 /nfs/dbraw/zinc/30/44/53/473304453.db2.gz QRSSNDBOIHEEOV-SFHVURJKSA-N 0 3 346.446 2.866 40 0 EFABHN O=C(c1cccc(Cl)c1)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096161489 473319713 /nfs/dbraw/zinc/31/97/13/473319713.db2.gz QHKIGGPWDAZWMR-CALCHBBNSA-N 0 3 341.842 2.939 40 0 EFABHN O=C(C1CC=CC1)N1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000096157424 473316691 /nfs/dbraw/zinc/31/66/91/473316691.db2.gz WTCXCIIDZYVYAQ-UHFFFAOYSA-N 0 3 325.456 2.862 40 0 EFABHN COc1ccc(CN2CC[C@]3(C2)CCCN(c2ncccn2)C3)cc1 ZINC000096158246 473318337 /nfs/dbraw/zinc/31/83/37/473318337.db2.gz HJZXZEILEGWEBA-FQEVSTJZSA-N 0 3 338.455 2.978 40 0 EFABHN Cn1cccc1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000096158056 473318487 /nfs/dbraw/zinc/31/84/87/473318487.db2.gz DJRYUYPQBYEDDY-FQEVSTJZSA-N 0 3 338.455 2.548 40 0 EFABHN O=C(c1cnccn1)N1CCC[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096158180 473318654 /nfs/dbraw/zinc/31/86/54/473318654.db2.gz ZDDOGURFCWRHAW-GOSISDBHSA-N 0 3 342.468 2.666 40 0 EFABHN CN(Cc1ccco1)C[C@@H]1OC[C@H]2CN(Cc3nccs3)CC[C@H]21 ZINC000096185354 473327151 /nfs/dbraw/zinc/32/71/51/473327151.db2.gz WFVOQFLHJPWLBV-OIISXLGYSA-N 0 3 347.484 2.705 40 0 EFABHN Cc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)o1 ZINC000096184197 473327890 /nfs/dbraw/zinc/32/78/90/473327890.db2.gz WBCUVVHJHZRSGA-ZWKOTPCHSA-N 0 3 325.412 2.667 40 0 EFABHN Cc1nc(CN2CCc3ncc(CN(C)C(C)C)n3CC2)cs1 ZINC000096196842 473332878 /nfs/dbraw/zinc/33/28/78/473332878.db2.gz LWEVULXNHZQLKG-UHFFFAOYSA-N 0 3 333.505 2.547 40 0 EFABHN Cc1ccc(CN[C@@H]2CCc3c(ccc(=O)n3Cc3ccncc3)C2)o1 ZINC000096196612 473332952 /nfs/dbraw/zinc/33/29/52/473332952.db2.gz BTFKYNODWDCFQD-GOSISDBHSA-N 0 3 349.434 2.840 40 0 EFABHN O=C1C[C@@H](c2cccnc2)C2(CCN(Cc3cccs3)CC2)N1 ZINC000096199695 473335472 /nfs/dbraw/zinc/33/54/72/473335472.db2.gz YSDFWAFEMSXFJZ-INIZCTEOSA-N 0 3 327.453 2.781 40 0 EFABHN O=C(N[C@@H]1CCO[C@]2(CCN(Cc3cccs3)C2)C1)c1ccco1 ZINC000096205932 473340632 /nfs/dbraw/zinc/34/06/32/473340632.db2.gz ZTLIWMTZPIUJKR-RDTXWAMCSA-N 0 3 346.452 2.895 40 0 EFABHN Cc1cccc(CN2CC[C@]3(C2)C[C@@H](N2CCCC2=O)CCO3)c1 ZINC000096208704 473344864 /nfs/dbraw/zinc/34/48/64/473344864.db2.gz HFQMLLOUQDROFV-AZUAARDMSA-N 0 3 328.456 2.741 40 0 EFABHN Cc1ccccc1CN1CC[C@]2(C1)C[C@H](N1CCCC1=O)CCO2 ZINC000096209212 473345356 /nfs/dbraw/zinc/34/53/56/473345356.db2.gz TYVMBSVWTGPQIL-UYAOXDASSA-N 0 3 328.456 2.741 40 0 EFABHN Cc1ccc(N[C@@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)nn1 ZINC000096219504 473350993 /nfs/dbraw/zinc/35/09/93/473350993.db2.gz DAJPQBWOAQOSTH-YOEHRIQHSA-N 0 3 330.457 2.692 40 0 EFABHN Cc1ccc(N[C@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)nn1 ZINC000096219502 473351013 /nfs/dbraw/zinc/35/10/13/473351013.db2.gz DAJPQBWOAQOSTH-PBHICJAKSA-N 0 3 330.457 2.692 40 0 EFABHN Cc1cc(OC[C@H]2CO[C@@H]3CN(Cc4cccnc4)C[C@H]23)cc(C)n1 ZINC000096219451 473351077 /nfs/dbraw/zinc/35/10/77/473351077.db2.gz DGVABUUROXZFOW-DFQSSKMNSA-N 0 3 339.439 2.619 40 0 EFABHN Cc1ccc(CN2CC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)s1 ZINC000096219312 473351597 /nfs/dbraw/zinc/35/15/97/473351597.db2.gz PZKZPORFVLMSDI-WMLDXEAASA-N 0 3 330.457 2.692 40 0 EFABHN Cc1ccc(OC[C@@H]2CO[C@@H]3CN(Cc4cccs4)C[C@H]23)cn1 ZINC000096219452 473351641 /nfs/dbraw/zinc/35/16/41/473351641.db2.gz CDCXYJYIWOEZIK-ZTFGCOKTSA-N 0 3 330.453 2.977 40 0 EFABHN c1ncn2c1CN(CC1CCC1)C[C@H](COCc1ccccn1)C2 ZINC000096219864 473353759 /nfs/dbraw/zinc/35/37/59/473353759.db2.gz KSMLABYYTZIDMD-KRWDZBQOSA-N 0 3 326.444 2.727 40 0 EFABHN O=C([C@H]1CCC2(CCN(Cc3ccc(F)cc3)CC2)O1)N1CCCO1 ZINC000096220298 473353255 /nfs/dbraw/zinc/35/32/55/473353255.db2.gz RHZAGEAPKSYNGH-QGZVFWFLSA-N 0 3 348.418 2.503 40 0 EFABHN Fc1cnc(N[C@@H]2CO[C@@]3(C2)CCCN(Cc2cccs2)C3)nc1 ZINC000096223254 473355052 /nfs/dbraw/zinc/35/50/52/473355052.db2.gz BIYGMVOIBRKRIP-WMLDXEAASA-N 0 3 348.447 2.913 40 0 EFABHN O=C1N(c2cncnc2)CC[C@@]12CCCN(Cc1cccs1)C2 ZINC000096224563 473355517 /nfs/dbraw/zinc/35/55/17/473355517.db2.gz ONPLKKXABNBYMZ-QGZVFWFLSA-N 0 3 328.441 2.557 40 0 EFABHN c1coc(CN2CCC[C@]3(C2)COCCN(Cc2ccccn2)C3)c1 ZINC000096229315 473359894 /nfs/dbraw/zinc/35/98/94/473359894.db2.gz BIHSHVPOSCPDEF-HXUWFJFHSA-N 0 3 341.455 2.789 40 0 EFABHN CCCC(=O)N[C@H]1CC2(CCN(CCOC)CC2)Oc2ccccc21 ZINC000096242760 473362500 /nfs/dbraw/zinc/36/25/00/473362500.db2.gz DKIGCUVYKCPDRV-KRWDZBQOSA-N 0 3 346.471 2.908 40 0 EFABHN Cc1cccc(CN2C[C@@H]3CN(Cc4ccsc4)C[C@@H]3C2=O)n1 ZINC000096245364 473363594 /nfs/dbraw/zinc/36/35/94/473363594.db2.gz LZQRSPUVVDZGQF-RDJZCZTQSA-N 0 3 327.453 2.542 40 0 EFABHN Cc1nc(CN2C[C@@H]3CN(Cc4ccsc4)C[C@@H]3C2=O)cs1 ZINC000096245217 473364424 /nfs/dbraw/zinc/36/44/24/473364424.db2.gz RWUWFVBIGZCPOL-ZFWWWQNUSA-N 0 3 333.482 2.603 40 0 EFABHN Cc1nc(CN2CCO[C@H]3CCN(Cc4ccoc4)CC[C@@H]32)cs1 ZINC000096249399 473364699 /nfs/dbraw/zinc/36/46/99/473364699.db2.gz AQIJKKNHIMJDJT-ROUUACIJSA-N 0 3 347.484 2.910 40 0 EFABHN O=C(c1ccncc1)N1C[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC000096245566 473365149 /nfs/dbraw/zinc/36/51/49/473365149.db2.gz OAHKYJBBMWDKNQ-IRXDYDNUSA-N 0 3 341.842 2.939 40 0 EFABHN Cc1ccc(CN2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC000096249679 473365389 /nfs/dbraw/zinc/36/53/89/473365389.db2.gz SGCDWWBDNBSCNK-AZUAARDMSA-N 0 3 341.455 2.706 40 0 EFABHN COC1=C[C@@]2(C)Oc3c4c(ccc3OC)C[C@@H]3C(=C1)[C@@]42CCN3C ZINC000096316409 473375084 /nfs/dbraw/zinc/37/50/84/473375084.db2.gz OCGWLMGQNPQBHG-YSGRDPCXSA-N 0 3 325.408 2.815 40 0 biogenic,in-vitro EFABHN CC(C)C(=O)Nc1cccc(CNC(=O)N2CCC[C@H](N(C)C)C2)c1 ZINC000096404191 473382155 /nfs/dbraw/zinc/38/21/55/473382155.db2.gz FTZCNZJGXIZJOQ-KRWDZBQOSA-N 0 3 346.475 2.517 40 0 EFABHN COCCN1CCC(NC(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000096402384 473378623 /nfs/dbraw/zinc/37/86/23/473378623.db2.gz NKHQXHNHRMXTSK-UHFFFAOYSA-N 0 3 348.340 2.685 40 0 EFABHN Cn1cc(CNc2cccc(N3CCN(CC4CC4)CC3)c2)cn1 ZINC000096402680 473378876 /nfs/dbraw/zinc/37/88/76/473378876.db2.gz KNQROPZSHDKCOT-UHFFFAOYSA-N 0 3 325.460 2.564 40 0 EFABHN COC(=O)c1ccc(NC2CCN([C@H](C)c3ccccc3)CC2)nn1 ZINC000096407648 473385369 /nfs/dbraw/zinc/38/53/69/473385369.db2.gz NBFMFDHETWPZTN-CQSZACIVSA-N 0 3 340.427 2.901 40 0 EFABHN COc1cccc(OC)c1OC[C@@H](O)CN[C@@H](C)c1ccccc1 ZINC000000166988 471329961 /nfs/dbraw/zinc/32/99/61/471329961.db2.gz OXXHXPODIXKWPP-HOCLYGCPSA-N 0 3 331.412 2.794 40 0 EFABHN CCN1CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000000390430 471354341 /nfs/dbraw/zinc/35/43/41/471354341.db2.gz OJYOTLHNSMYONM-IBGZPJMESA-N 0 3 339.435 2.950 40 0 EFABHN O=C(COc1ccc(Cl)cc1Cl)NCCN1CCCCC1 ZINC000001569030 471393376 /nfs/dbraw/zinc/39/33/76/471393376.db2.gz DCPFLSPOQBDRON-UHFFFAOYSA-N 0 3 331.243 2.974 40 0 EFABHN O=C(OCCN1CCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000001602793 471394103 /nfs/dbraw/zinc/39/41/03/471394103.db2.gz PWSPYDPXLSEQQH-UHFFFAOYSA-N 0 3 325.408 2.562 40 0 EFABHN COc1ccc([C@H]2CNCc3cc(OC)c(OC)cc32)cc1OC ZINC000003847192 471455419 /nfs/dbraw/zinc/45/54/19/471455419.db2.gz DXGTVOYDVCAEFZ-OAHLLOKOSA-N 0 3 329.396 2.956 40 0 EFABHN S=C(NCc1ccco1)NC1CCN(Cc2ccccc2)CC1 ZINC000006332724 471540300 /nfs/dbraw/zinc/54/03/00/471540300.db2.gz KDJBHSAQVBZLKU-UHFFFAOYSA-N 0 3 329.469 2.908 40 0 EFABHN Cc1ccc(OCC(=O)N2CCN(C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000006556785 471551371 /nfs/dbraw/zinc/55/13/71/471551371.db2.gz PSSBCZKPPVJWCN-OTWHNJEPSA-N 0 3 340.467 2.730 40 0 EFABHN COC(=O)c1ccc(CNC(=O)CN2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000008267661 471675892 /nfs/dbraw/zinc/67/58/92/471675892.db2.gz HRPBXLQVYZVWKH-SJLPKXTDSA-N 0 3 344.455 2.602 40 0 EFABHN Cc1cc(-c2snnc2[C@@H]2CCCN(C[C@@H]3CCOC3)C2)on1 ZINC000013226071 471822921 /nfs/dbraw/zinc/82/29/21/471822921.db2.gz NFIQCQLVOZRRFG-QWHCGFSZSA-N 0 3 334.445 2.717 40 0 EFABHN CC(C)[C@H](NCC(=O)Nc1ccccc1C(N)=O)c1ccccc1 ZINC000014775991 471878355 /nfs/dbraw/zinc/87/83/55/471878355.db2.gz UIKKRTUUKOKKCH-SFHVURJKSA-N 0 3 325.412 2.711 40 0 EFABHN c1cnn(-c2ccccc2CNCc2ccccc2N2CCOCC2)c1 ZINC000066990959 471979504 /nfs/dbraw/zinc/97/95/04/471979504.db2.gz VUAKHXVMOYNLDM-UHFFFAOYSA-N 0 3 348.450 2.999 40 0 EFABHN O[C@@H]1C[C@H]2CN(Cc3ccsc3)[C@@H](Cc3ccccc3)CN2C1 ZINC000019372796 471980047 /nfs/dbraw/zinc/98/00/47/471980047.db2.gz DTPXCMUJTPLMIX-GBESFXJTSA-N 0 3 328.481 2.610 40 0 EFABHN C[C@H](Cn1cnc2ccccc21)C(=O)N1CCCC[C@H]1CN(C)C ZINC000019457743 471980054 /nfs/dbraw/zinc/98/00/54/471980054.db2.gz CYQUFWHZCIXFPK-CVEARBPZSA-N 0 3 328.460 2.615 40 0 EFABHN O=C([C@@H]1CCCN(C[C@@H](O)c2cccs2)C1)N1CCCCCC1 ZINC000019342966 471980335 /nfs/dbraw/zinc/98/03/35/471980335.db2.gz JNIBHYAJTCUVJN-HZPDHXFCSA-N 0 3 336.501 2.896 40 0 EFABHN COc1ccc(CN2CCCC[C@@H]3[C@H]2CCN3C(C)=O)cc1OC ZINC000019712584 471984077 /nfs/dbraw/zinc/98/40/77/471984077.db2.gz QDWGJUXBQIHJEI-IAGOWNOFSA-N 0 3 332.444 2.679 40 0 EFABHN CCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(C2CCCC2)CC1 ZINC000020139160 471986502 /nfs/dbraw/zinc/98/65/02/471986502.db2.gz FSUIZSDCYKZCRD-INIZCTEOSA-N 0 3 334.512 2.830 40 0 EFABHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC1(Cl)Cl ZINC000025464986 472098068 /nfs/dbraw/zinc/09/80/68/472098068.db2.gz ROAKOJPZCODBQM-AWEZNQCLSA-N 0 3 327.255 2.961 40 0 EFABHN COc1ccc(CN2CCC[C@@H](c3nnc(SC)n3C)C2)cc1 ZINC000026441085 472135475 /nfs/dbraw/zinc/13/54/75/472135475.db2.gz DWADXOMINRMLEG-CQSZACIVSA-N 0 3 332.473 2.925 40 0 EFABHN CCOc1ccccc1OCCN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000075644815 472175186 /nfs/dbraw/zinc/17/51/86/472175186.db2.gz KCTNKKUNXZGTLP-QGZVFWFLSA-N 0 3 348.487 2.649 40 0 EFABHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cc1cccnc1 ZINC000076480434 472352890 /nfs/dbraw/zinc/35/28/90/472352890.db2.gz GNLSMPCFSDFWLS-PXNSSMCTSA-N 0 3 337.467 2.993 40 0 EFABHN CCc1ccc([C@H](CNC(=O)[C@@H]2Cc3ccccc3O2)N(C)C)cc1 ZINC000032733732 472460776 /nfs/dbraw/zinc/46/07/76/472460776.db2.gz KBEDORKVUMNQLZ-ICSRJNTNSA-N 0 3 338.451 2.972 40 0 EFABHN CCOc1ncccc1CN[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000097228280 472484021 /nfs/dbraw/zinc/48/40/21/472484021.db2.gz CLFIDMRHBRIWGB-QFBILLFUSA-N 0 3 340.471 2.876 40 0 EFABHN Cn1cc(-c2cccc(CNC(=O)[C@@H](C3CC3)N3CCCC3)c2)cn1 ZINC000097376506 472493002 /nfs/dbraw/zinc/49/30/02/472493002.db2.gz RFEOZXKLZLSJEH-LJQANCHMSA-N 0 3 338.455 2.578 40 0 EFABHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC1=CCOCC1 ZINC000097378423 472494685 /nfs/dbraw/zinc/49/46/85/472494685.db2.gz VVUZWWUATXCKBM-APWZRJJASA-N 0 3 343.471 2.543 40 0 EFABHN CCN1CCC[C@](O)(CN2CCc3[nH]c4ccc(F)cc4c3C2)C1 ZINC000046087866 472509869 /nfs/dbraw/zinc/50/98/69/472509869.db2.gz PFVZJFGECIWPMA-LJQANCHMSA-N 0 3 331.435 2.512 40 0 EFABHN C[C@@H](Oc1ccccc1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000070928481 472524115 /nfs/dbraw/zinc/52/41/15/472524115.db2.gz JHDWWVPVWHMAPS-MRXNPFEDSA-N 0 3 339.439 2.882 40 0 EFABHN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000058439167 472570248 /nfs/dbraw/zinc/57/02/48/472570248.db2.gz VNGIVLTWZQTNCN-ZDUSSCGKSA-N 0 3 346.443 2.898 40 0 EFABHN COc1cccc2c1CC[C@@H]2N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000090592539 472641144 /nfs/dbraw/zinc/64/11/44/472641144.db2.gz WJOLRJIIOVTNDJ-UONOGXRCSA-N 0 3 342.361 2.825 40 0 EFABHN CC(C)Oc1ccc(C(=O)N2CCCSC[C@@H]2CN(C)C)cc1 ZINC000090699826 472653263 /nfs/dbraw/zinc/65/32/63/472653263.db2.gz RSLAXBPUUQYOHD-INIZCTEOSA-N 0 3 336.501 2.983 40 0 EFABHN O=C(CN(Cc1ccc(F)cc1)C1CC1)NC1CCN(C2CC2)CC1 ZINC000064507759 472859414 /nfs/dbraw/zinc/85/94/14/472859414.db2.gz SLMCGDHHCDZZCG-UHFFFAOYSA-N 0 3 345.462 2.533 40 0 EFABHN CCN1CCN(Cc2ccc(CNC(=O)c3occc3C)cc2)CC1 ZINC000048345148 472861781 /nfs/dbraw/zinc/86/17/81/472861781.db2.gz PTEKNLLBTHFPRF-UHFFFAOYSA-N 0 3 341.455 2.656 40 0 EFABHN O=C1N(c2cncnc2)CCC12CCN(Cc1ccc(F)cc1)CC2 ZINC000107191319 472932894 /nfs/dbraw/zinc/93/28/94/472932894.db2.gz OZYMILLSLJDRTP-UHFFFAOYSA-N 0 3 340.402 2.635 40 0 EFABHN CCCc1nnc([C@H]2CCN(Cc3ccc(NC(C)=O)cc3)C2)o1 ZINC000049170346 472934009 /nfs/dbraw/zinc/93/40/09/472934009.db2.gz RDQOSXJMXBUNOJ-HNNXBMFYSA-N 0 3 328.416 2.970 40 0 biogenic,in-vitro EFABHN Cc1[nH]c2ccccc2c1CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000074064502 472935194 /nfs/dbraw/zinc/93/51/94/472935194.db2.gz BIYFEYDDTSUFLM-CVEARBPZSA-N 0 3 340.471 2.897 40 0 EFABHN Fc1cnc(N[C@H]2CO[C@@]3(C2)CCCN(Cc2cccs2)C3)nc1 ZINC000107228693 472935362 /nfs/dbraw/zinc/93/53/62/472935362.db2.gz BIYGMVOIBRKRIP-RHSMWYFYSA-N 0 3 348.447 2.913 40 0 EFABHN Cn1cc(CN2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)cn1 ZINC000107712123 472976923 /nfs/dbraw/zinc/97/69/23/472976923.db2.gz ADQWHPHVUMRGFK-UXHICEINSA-N 0 3 347.503 2.998 40 0 EFABHN c1csc(CN2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)c1 ZINC000107730808 472978704 /nfs/dbraw/zinc/97/87/04/472978704.db2.gz GYXAQIDRUQQLRO-PBHICJAKSA-N 0 3 330.457 2.774 40 0 EFABHN c1csc(CN2CCC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)c1 ZINC000107787677 472983058 /nfs/dbraw/zinc/98/30/58/472983058.db2.gz NXQJJXWQEMDRAY-PBHICJAKSA-N 0 3 330.457 2.774 40 0 EFABHN Cc1ccc(CN2CC[C@@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)s1 ZINC000107822037 472984414 /nfs/dbraw/zinc/98/44/14/472984414.db2.gz WGBMNJFLCDDFLK-RHSMWYFYSA-N 0 3 348.447 2.831 40 0 EFABHN Cc1ncsc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 ZINC000108527582 473035405 /nfs/dbraw/zinc/03/54/05/473035405.db2.gz WWUUJCWGUKIEBL-CRAIPNDOSA-N 0 3 349.500 2.998 40 0 EFABHN Cc1cccnc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108532084 473035485 /nfs/dbraw/zinc/03/54/85/473035485.db2.gz LOQWFVZBCMTYCW-CRAIPNDOSA-N 0 3 349.425 2.860 40 0 EFABHN O=C([C@H]1CCC[C@]12CCN(Cc1cccnc1)C2)N1CCCCO1 ZINC000108532747 473035744 /nfs/dbraw/zinc/03/57/44/473035744.db2.gz BHMXYDYNSYLRLL-IEBWSBKVSA-N 0 3 329.444 2.628 40 0 EFABHN COCCN1CC2(CC1=O)CCN(Cc1cc(C)ccc1F)CC2 ZINC000108531827 473035920 /nfs/dbraw/zinc/03/59/20/473035920.db2.gz DMPUKLIFTGXNOJ-UHFFFAOYSA-N 0 3 334.435 2.595 40 0 EFABHN Cc1ncsc1CN1CC[C@]2(CCC[C@H]2C(=O)N2CCCCO2)C1 ZINC000108536437 473037247 /nfs/dbraw/zinc/03/72/47/473037247.db2.gz WWUUJCWGUKIEBL-MAUKXSAKSA-N 0 3 349.500 2.998 40 0 EFABHN Cc1ncsc1CN1CC[C@@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 ZINC000108536445 473037655 /nfs/dbraw/zinc/03/76/55/473037655.db2.gz WWUUJCWGUKIEBL-QAPCUYQASA-N 0 3 349.500 2.998 40 0 EFABHN Cc1ncsc1CN1CC[C@]2(CCC[C@H]2C(=O)NCC2CC2)C1 ZINC000108534808 473037828 /nfs/dbraw/zinc/03/78/28/473037828.db2.gz DMIYSAKEXNHGTC-MAUKXSAKSA-N 0 3 333.501 2.970 40 0 EFABHN CN1CCC(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000074920958 473094883 /nfs/dbraw/zinc/09/48/83/473094883.db2.gz NUHKVAWKEVWHCJ-UHFFFAOYSA-N 0 3 335.879 2.721 40 0 EFABHN CN(C)[C@@H]1CCCN(C(=O)NCc2c(F)cccc2OC(F)F)C1 ZINC000074944761 473102928 /nfs/dbraw/zinc/10/29/28/473102928.db2.gz SHJNFZOJCJWTHF-LLVKDONJSA-N 0 3 345.365 2.663 40 0 EFABHN NC(=O)[C@@H](NC1CCN(c2cccc(F)c2)CC1)c1ccccc1 ZINC000096415085 473394183 /nfs/dbraw/zinc/39/41/83/473394183.db2.gz PTMPWFUFZNOIMA-SFHVURJKSA-N 0 3 327.403 2.611 40 0 EFABHN CCOC(=O)CCCCN1CCCN(c2nc(C)cs2)CC1 ZINC000096417408 473397441 /nfs/dbraw/zinc/39/74/41/473397441.db2.gz LMVSRQWVILNBBJ-UHFFFAOYSA-N 0 3 325.478 2.697 40 0 EFABHN CC(C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1)S(C)(=O)=O ZINC000096426018 473404639 /nfs/dbraw/zinc/40/46/39/473404639.db2.gz PAXFRQRYXCZNKS-SNVBAGLBSA-N 0 3 349.374 2.634 40 0 EFABHN CCN1CCCC[C@H]1C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000096426855 473406096 /nfs/dbraw/zinc/40/60/96/473406096.db2.gz HRZRBEIPJPMQGE-OALUTQOASA-N 0 3 330.472 2.926 40 0 EFABHN CCN1CCN(CCC(=O)N2CCCCC[C@H]2c2ccncc2)CC1 ZINC000096427144 473406139 /nfs/dbraw/zinc/40/61/39/473406139.db2.gz IQMQUXRRXOBYKJ-IBGZPJMESA-N 0 3 344.503 2.553 40 0 EFABHN O=S(=O)(/C=C/c1ccccc1Cl)NC[C@@H]1CCN(C2CC2)C1 ZINC000096427699 473407099 /nfs/dbraw/zinc/40/70/99/473407099.db2.gz NATFHJZQAOHGAK-FROQITRMSA-N 0 3 340.876 2.714 40 0 EFABHN CN1CCC[C@@H](CNC(=O)Nc2nncs2)[C@@H]1c1cccs1 ZINC000096433596 473413133 /nfs/dbraw/zinc/41/31/33/473413133.db2.gz NJAUXFJJLLIZJE-CMPLNLGQSA-N 0 3 337.474 2.804 40 0 EFABHN CC(C)[C@@H](NC1CCOCC1)C(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC000096436663 473416224 /nfs/dbraw/zinc/41/62/24/473416224.db2.gz AEUYFSJWEHSCDP-QGZVFWFLSA-N 0 3 334.464 2.799 40 0 EFABHN CSC[C@H](C)C(=O)Nc1ccc(CCN2CCC(O)CC2)cc1 ZINC000096441317 473420398 /nfs/dbraw/zinc/42/03/98/473420398.db2.gz RCIDZIOFVMDWRS-AWEZNQCLSA-N 0 3 336.501 2.623 40 0 EFABHN CCS[C@@H]1CCCCN(C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000096447212 473424562 /nfs/dbraw/zinc/42/45/62/473424562.db2.gz TXQPBMZOMUXCSG-OAHLLOKOSA-N 0 3 339.509 2.584 40 0 EFABHN CCS[C@H]1CCC[C@H](NC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000096452313 473428821 /nfs/dbraw/zinc/42/88/21/473428821.db2.gz GBQFUICDPAJRPJ-HOCLYGCPSA-N 0 3 325.522 2.977 40 0 EFABHN CN(C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)[C@@H]1CCCN(C)C1 ZINC000096452099 473429060 /nfs/dbraw/zinc/42/90/60/473429060.db2.gz IGIHMBMIGJSZIN-MRXNPFEDSA-N 0 3 339.443 2.515 40 0 EFABHN CC[C@@H](CNC(=O)NC1CCN(C)CC1)Oc1ccccc1Cl ZINC000096452301 473429077 /nfs/dbraw/zinc/42/90/77/473429077.db2.gz ZSIIMVLHKYUNDS-AWEZNQCLSA-N 0 3 339.867 2.891 40 0 EFABHN c1ccc2c(c1)OC[C@H](CNCc1ccc(N3CCCC3)nc1)O2 ZINC000096466719 473434427 /nfs/dbraw/zinc/43/44/27/473434427.db2.gz ZINRTCHDNVDFGC-INIZCTEOSA-N 0 3 325.412 2.611 40 0 EFABHN c1ccc2c(c1)OC[C@@H](CNCc1ccc(N3CCCC3)nc1)O2 ZINC000096466720 473435015 /nfs/dbraw/zinc/43/50/15/473435015.db2.gz ZINRTCHDNVDFGC-MRXNPFEDSA-N 0 3 325.412 2.611 40 0 EFABHN O=C([C@H]1CCCN(Cc2cnc3ccccn23)C1)N1CCCCCC1 ZINC000096468505 473436205 /nfs/dbraw/zinc/43/62/05/473436205.db2.gz OQFVNRCYCYWROJ-KRWDZBQOSA-N 0 3 340.471 2.949 40 0 EFABHN CC(C)CO[C@@H](C)c1noc(CN2CCN(c3ccncc3)CC2)n1 ZINC000096473705 473437212 /nfs/dbraw/zinc/43/72/12/473437212.db2.gz XVAZSEZAKHKBBB-HNNXBMFYSA-N 0 3 345.447 2.520 40 0 EFABHN O=C1[C@H](NCCn2cccn2)CCN1c1ccc(Cl)cc1Cl ZINC000190965750 473443289 /nfs/dbraw/zinc/44/32/89/473443289.db2.gz AQULBYQJXFZHRP-CYBMUJFWSA-N 0 3 339.226 2.585 40 0 EFABHN CC1(C)[C@H](N[C@@H]2CCN(CCCc3ccccc3)C2=O)[C@H]2CCO[C@@H]21 ZINC000096493461 473449055 /nfs/dbraw/zinc/44/90/55/473449055.db2.gz MESKWGARZPHVJP-MKXGPGLRSA-N 0 3 342.483 2.623 40 0 EFABHN CC(C)[C@H](C)NC(=O)C1CCN([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000096493056 473449272 /nfs/dbraw/zinc/44/92/72/473449272.db2.gz FGSWXICBKPVXMT-JVPBZIDWSA-N 0 3 330.472 2.517 40 0 EFABHN O=C(CCc1ccccc1)N1CC[C@H](NCc2cccc3c[nH]nc32)C1 ZINC000096494388 473450070 /nfs/dbraw/zinc/45/00/70/473450070.db2.gz ZMUNPWGFZVOMBD-IBGZPJMESA-N 0 3 348.450 2.886 40 0 EFABHN Cc1ncc(CN[C@@H]2CCN(c3ccccn3)C2)n1-c1ccccc1 ZINC000096494400 473450531 /nfs/dbraw/zinc/45/05/31/473450531.db2.gz UIPJHGBMMDPZDZ-QGZVFWFLSA-N 0 3 333.439 2.944 40 0 EFABHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)C1CCCCC1 ZINC000096500978 473453263 /nfs/dbraw/zinc/45/32/63/473453263.db2.gz SDGRACYZYRQCRE-LJQANCHMSA-N 0 3 330.472 2.840 40 0 EFABHN C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000096503121 473455666 /nfs/dbraw/zinc/45/56/66/473455666.db2.gz SGEJTEPXQJUNIM-BXWFABGCSA-N 0 3 338.455 2.962 40 0 EFABHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1ccc(Br)cc1F ZINC000127870517 473659041 /nfs/dbraw/zinc/65/90/41/473659041.db2.gz BFCNPGUVQKXLFW-GXSJLCMTSA-N 0 3 339.212 2.845 40 0 EFABHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000194448370 473899570 /nfs/dbraw/zinc/89/95/70/473899570.db2.gz COWPMABXBYXKIK-QRVBRYPASA-N 0 3 327.472 2.950 40 0 EFABHN Cc1ccc(C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)s1 ZINC000188173814 474008623 /nfs/dbraw/zinc/00/86/23/474008623.db2.gz BOIQWBIZGYDEAI-LJQANCHMSA-N 0 3 344.480 2.766 40 0 EFABHN CC(C)n1ccnc1CN1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195274314 474045477 /nfs/dbraw/zinc/04/54/77/474045477.db2.gz YIVZZEJXWDTJSK-SFHVURJKSA-N 0 3 327.476 2.813 40 0 EFABHN CC(C)(NC(=O)CNC[C@H]1CCCO1)c1ccc(F)cc1Cl ZINC000195543520 474091340 /nfs/dbraw/zinc/09/13/40/474091340.db2.gz ODZXYNQPPACMJG-GFCCVEGCSA-N 0 3 328.815 2.599 40 0 EFABHN Cc1ccc(NC(=O)C[C@@H]2CNCCO2)c(SC(F)(F)F)c1 ZINC000195543367 474091930 /nfs/dbraw/zinc/09/19/30/474091930.db2.gz YAMQGMSEWSYAHP-SNVBAGLBSA-N 0 3 334.363 2.924 40 0 EFABHN C[C@@H]1CN(CCCCNC(=O)[C@H]2CCOc3ccccc32)C[C@@H](C)O1 ZINC000195537304 474092186 /nfs/dbraw/zinc/09/21/86/474092186.db2.gz OORQTFXGOOOKQX-NUJGCVRESA-N 0 3 346.471 2.558 40 0 EFABHN OC[C@H](CN[C@H]1CCCOc2cc(F)ccc21)Cc1ccccn1 ZINC000195557680 474093994 /nfs/dbraw/zinc/09/39/94/474093994.db2.gz VBHFUSNAXDMQBH-KSSFIOAISA-N 0 3 330.403 2.875 40 0 EFABHN C[C@H](NC[C@]1(O)CCOC1)c1cc2cc(Br)ccc2o1 ZINC000182073894 474094119 /nfs/dbraw/zinc/09/41/19/474094119.db2.gz XKTKINUAEFXICG-ZUZCIYMTSA-N 0 3 340.217 2.997 40 0 EFABHN CCc1nc2n(n1)CCC[C@@H]2NC1CCN(C(=O)OCC(C)C)CC1 ZINC000195551361 474094258 /nfs/dbraw/zinc/09/42/58/474094258.db2.gz WALCMFACALWSTD-HNNXBMFYSA-N 0 3 349.479 2.522 40 0 EFABHN CC1(CNc2ccccc2CN2CCC[C@H](C(N)=O)C2)CCOCC1 ZINC000195561819 474095507 /nfs/dbraw/zinc/09/55/07/474095507.db2.gz HEPLIGXFPHCCQK-KRWDZBQOSA-N 0 3 345.487 2.613 40 0 EFABHN CC1(CNc2ccccc2CN2CCC[C@@H](C(N)=O)C2)CCOCC1 ZINC000195561818 474095957 /nfs/dbraw/zinc/09/59/57/474095957.db2.gz HEPLIGXFPHCCQK-QGZVFWFLSA-N 0 3 345.487 2.613 40 0 EFABHN Cc1cc(Cl)c([C@@H](C)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC000195557740 474095983 /nfs/dbraw/zinc/09/59/83/474095983.db2.gz NGVMIYHETPZGRM-ZIAGYGMSSA-N 0 3 344.908 2.889 40 0 EFABHN C[C@@H](CN[C@H](c1ccco1)c1ccc(F)cc1)N1CCN(C)CC1 ZINC000195560643 474096694 /nfs/dbraw/zinc/09/66/94/474096694.db2.gz RMYYPJFWWXNHMZ-KXBFYZLASA-N 0 3 331.435 2.734 40 0 EFABHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC(F)(F)F ZINC000195564821 474097337 /nfs/dbraw/zinc/09/73/37/474097337.db2.gz NMDYBXOFIGTFMM-OCCSQVGLSA-N 0 3 329.366 2.759 40 0 EFABHN CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000222727981 474172283 /nfs/dbraw/zinc/17/22/83/474172283.db2.gz FFZLJAYGOGLDAP-IRXDYDNUSA-N 0 3 335.436 2.870 40 0 EFABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccs1 ZINC000223252741 474182185 /nfs/dbraw/zinc/18/21/85/474182185.db2.gz QJDOVPACXUQICN-LSDHHAIUSA-N 0 3 332.498 2.677 40 0 EFABHN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)[nH]1 ZINC000223255447 474182887 /nfs/dbraw/zinc/18/28/87/474182887.db2.gz AHCFLZCPLSPMNI-DLBZAZTESA-N 0 3 343.500 2.561 40 0 EFABHN CN1C(=O)c2ccccc2[C@H](O)[C@@]2(C)CN(Cc3ccccc3)C[C@@H]12 ZINC000247722819 474204132 /nfs/dbraw/zinc/20/41/32/474204132.db2.gz CDVBKHQCSLCOAU-DYXWJJEUSA-N 0 3 336.435 2.696 40 0 EFABHN CCOC1(C(=O)NC2CCN(CCc3ccncc3)CC2)CCCC1 ZINC000225453424 474213522 /nfs/dbraw/zinc/21/35/22/474213522.db2.gz FSYLSRUPURFYRI-UHFFFAOYSA-N 0 3 345.487 2.554 40 0 EFABHN CCN(CC)Cc1nc(C2(O)CCN(CC(C)C)CC2)cs1 ZINC000225463015 474215220 /nfs/dbraw/zinc/21/52/20/474215220.db2.gz RZOCDZISJCWGQA-UHFFFAOYSA-N 0 3 325.522 2.924 40 0 biogenic,in-vitro EFABHN CCOC1(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)CCCC1 ZINC000225462054 474215435 /nfs/dbraw/zinc/21/54/35/474215435.db2.gz BEDXNDXBMLMQLN-UHFFFAOYSA-N 0 3 347.459 2.842 40 0 EFABHN COC(=O)C[C@@]1(NCc2ccc3nc(C)ccc3c2)CCCOC1 ZINC000225481840 474217093 /nfs/dbraw/zinc/21/70/93/474217093.db2.gz SEWQXVYHHMTKKF-IBGZPJMESA-N 0 3 328.412 2.745 40 0 EFABHN O=C(C[C@@H]1CNCCO1)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000225489232 474218130 /nfs/dbraw/zinc/21/81/30/474218130.db2.gz QKNPOPWZXLKKGV-APWZRJJASA-N 0 3 342.414 2.604 40 0 EFABHN Cc1cccc(CN2CC[C@@H]3OCCN(c4cccnc4)[C@H]3CC2)n1 ZINC000247886445 474222003 /nfs/dbraw/zinc/22/20/03/474222003.db2.gz SVYFEFFWIBHZCO-PMACEKPBSA-N 0 3 338.455 2.655 40 0 EFABHN c1ccc2c(c1)OC[C@H](CN[C@H](c1cccnc1)C1CCOCC1)O2 ZINC000225573041 474226603 /nfs/dbraw/zinc/22/66/03/474226603.db2.gz JKYUMTOANXVWKX-PXNSSMCTSA-N 0 3 340.423 2.979 40 0 EFABHN Cc1cnc(CCN(C)CCC(=O)N2CCc3ccccc3C2)s1 ZINC000189134500 474302361 /nfs/dbraw/zinc/30/23/61/474302361.db2.gz DJVWRGOKTHDVMK-UHFFFAOYSA-N 0 3 343.496 2.901 40 0 EFABHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH]c2ncccc12 ZINC000248859740 474460633 /nfs/dbraw/zinc/46/06/33/474460633.db2.gz PQIPRVZOMOXOTK-DNVCBOLYSA-N 0 3 348.450 2.742 40 0 EFABHN FC(F)(F)Oc1cccc(N2CC[C@@H](NCc3cncnc3)C2)c1 ZINC000241160537 474553290 /nfs/dbraw/zinc/55/32/90/474553290.db2.gz JYBDQDBYWYBWEG-CYBMUJFWSA-N 0 3 338.333 2.744 40 0 EFABHN COc1ccccc1[C@H](C)CN[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245289940 474573487 /nfs/dbraw/zinc/57/34/87/474573487.db2.gz GFQUEAKWQYVZPD-FRFSOERESA-N 0 3 325.474 2.744 40 0 EFABHN C[C@H]1CN(Cc2ccccc2)CCCN1C[C@@H](O)CC(F)(F)F ZINC000249507337 474582193 /nfs/dbraw/zinc/58/21/93/474582193.db2.gz YTHGPEYGYJCQAC-HOCLYGCPSA-N 0 3 330.394 2.896 40 0 EFABHN CCS[C@@H]1CCCC[C@H]1N[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000249527669 474587375 /nfs/dbraw/zinc/58/73/75/474587375.db2.gz ZBQUWXVVDYQYBW-OWCLPIDISA-N 0 3 336.505 2.569 40 0 EFABHN COc1ccc(C(=O)N2CCCN(CCSC(C)C)CC2)cc1 ZINC000252503478 474683339 /nfs/dbraw/zinc/68/33/39/474683339.db2.gz VDCPDAOROZBWDF-UHFFFAOYSA-N 0 3 336.501 2.985 40 0 EFABHN C[C@@H](CCNC(=O)NCCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000252508247 474685103 /nfs/dbraw/zinc/68/51/03/474685103.db2.gz XIALTOZRSMBYTB-KRWDZBQOSA-N 0 3 346.519 2.505 40 0 EFABHN CCCc1nnc(NC(=O)[C@@H]2CN(C)C[C@H]2c2ccccc2)s1 ZINC000252516726 474691252 /nfs/dbraw/zinc/69/12/52/474691252.db2.gz WCHLFBAYCSVPQD-UONOGXRCSA-N 0 3 330.457 2.775 40 0 EFABHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC1=CCOCC1 ZINC000253370770 474728380 /nfs/dbraw/zinc/72/83/80/474728380.db2.gz VVUZWWUATXCKBM-VQIMIIECSA-N 0 3 343.471 2.543 40 0 EFABHN CCN1CC[C@@H](NCC(OC)OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000253393096 474733380 /nfs/dbraw/zinc/73/33/80/474733380.db2.gz RJRIQPRBSIDRCB-GDBMZVCRSA-N 0 3 330.831 2.823 40 0 EFABHN Cc1n[nH]cc1CN[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000253418725 474744205 /nfs/dbraw/zinc/74/42/05/474744205.db2.gz NFPXDKKIGMYRHH-ZDUSSCGKSA-N 0 3 340.349 2.985 40 0 EFABHN Cc1nc2c(cccc2C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)o1 ZINC000253421131 474748353 /nfs/dbraw/zinc/74/83/53/474748353.db2.gz QTYRRXGJVWCGSA-IAGOWNOFSA-N 0 3 335.407 2.964 40 0 EFABHN Cc1ccc(-c2nnc(Sc3ncnc4c3CN(C)CC4)o2)cc1 ZINC000253426320 474750364 /nfs/dbraw/zinc/75/03/64/474750364.db2.gz SPNWHJOWNSGWKX-UHFFFAOYSA-N 0 3 339.424 2.974 40 0 EFABHN Cc1ccc(F)c(CN(C)C(=O)[C@H]2CCCN2C2CCOCC2)c1 ZINC000253426463 474751586 /nfs/dbraw/zinc/75/15/86/474751586.db2.gz GYVNJOMYDIYUGC-GOSISDBHSA-N 0 3 334.435 2.736 40 0 EFABHN Cc1nc(CN2C(=O)c3cccn3[C@H]3CN(CC4CC4)C[C@@H]32)cs1 ZINC000306132909 474810351 /nfs/dbraw/zinc/81/03/51/474810351.db2.gz LVWYOHUSXZWGLP-IRXDYDNUSA-N 0 3 342.468 2.544 40 0 EFABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)CCO2)n1 ZINC000257237544 474927410 /nfs/dbraw/zinc/92/74/10/474927410.db2.gz HHAAIVZSMGPCBI-SFHVURJKSA-N 0 3 336.395 2.667 40 0 EFABHN c1c[nH]c(-c2nccnc2CC2CCN(Cc3cccnc3)CC2)n1 ZINC000257279421 474928119 /nfs/dbraw/zinc/92/81/19/474928119.db2.gz OGMYOCNSJGTGNH-UHFFFAOYSA-N 0 3 334.427 2.716 40 0 EFABHN Cn1ccnc1-c1cncc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000257284573 474932130 /nfs/dbraw/zinc/93/21/30/474932130.db2.gz PDFLGZMJLGZHTE-MRXNPFEDSA-N 0 3 334.427 2.652 40 0 EFABHN COc1ncccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)C2 ZINC000257284800 474932802 /nfs/dbraw/zinc/93/28/02/474932802.db2.gz PEJKEWYWSSOASV-NQUFMGSDSA-N 0 3 329.444 2.568 40 0 EFABHN O=c1[n-]c([C@@H]2CCCC[NH2+]2)nc2c1CCN(Cc1cccs1)C2 ZINC000257287590 474933265 /nfs/dbraw/zinc/93/32/65/474933265.db2.gz PQPJZZMEDPFIOH-AWEZNQCLSA-N 0 3 330.457 2.617 40 0 EFABHN COCCN1CCC[C@H](c2nccnc2-c2cnn(C(C)C)c2)C1 ZINC000257300262 474940047 /nfs/dbraw/zinc/94/00/47/474940047.db2.gz RTRBEEPKGQOSOK-HNNXBMFYSA-N 0 3 329.448 2.747 40 0 EFABHN CN1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1cnccn1 ZINC000257300272 474940656 /nfs/dbraw/zinc/94/06/56/474940656.db2.gz RTRQJCNNPXRRCM-GBESFXJTSA-N 0 3 336.439 2.917 40 0 EFABHN c1ncc(CN2CCC(Cc3cc(Nc4ccccn4)ncn3)CC2)[nH]1 ZINC000257306905 474946085 /nfs/dbraw/zinc/94/60/85/474946085.db2.gz SWMZXWVKALJKCH-UHFFFAOYSA-N 0 3 349.442 2.793 40 0 EFABHN CN1CCN(Cc2ncc[nH]2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257311734 474947116 /nfs/dbraw/zinc/94/71/16/474947116.db2.gz UKUBNRZSTKLCQQ-INIZCTEOSA-N 0 3 335.455 2.564 40 0 EFABHN Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(CN3CCCC3)cn2)no1 ZINC000257312443 474947250 /nfs/dbraw/zinc/94/72/50/474947250.db2.gz UNZCPJCTPROCQE-GOSISDBHSA-N 0 3 340.427 2.951 40 0 EFABHN CC(=O)N1CC2(CCN(Cc3cccc(C)c3)CC2)C[C@H](O)C1(C)C ZINC000257310136 474948515 /nfs/dbraw/zinc/94/85/15/474948515.db2.gz UDUSGEKSSCKCTJ-IBGZPJMESA-N 0 3 344.499 2.969 40 0 EFABHN Cc1ncsc1CN1C[C@@H]2[C@H](N(C)c3cnccn3)CC[C@@H]2C1 ZINC000257317149 474948749 /nfs/dbraw/zinc/94/87/49/474948749.db2.gz VIONOUZEKHBILV-QLFBSQMISA-N 0 3 329.473 2.588 40 0 EFABHN CNc1cc(C)nc([C@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)c1 ZINC000257317499 474950690 /nfs/dbraw/zinc/95/06/90/474950690.db2.gz VJYUCVMXZGZPKB-GOSISDBHSA-N 0 3 343.402 2.713 40 0 EFABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)CC2CCCC2)C1 ZINC000257325326 474955785 /nfs/dbraw/zinc/95/57/85/474955785.db2.gz WSNATRCTBUOTAE-FQEVSTJZSA-N 0 3 348.462 2.801 40 0 EFABHN COc1ncccc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C ZINC000257342382 474964219 /nfs/dbraw/zinc/96/42/19/474964219.db2.gz ZOIUJPWIFLHJMI-AMVTXUCVSA-N 0 3 329.444 2.568 40 0 EFABHN CCc1oc2ccccc2c1CN(C)C(=O)[C@@H](N)C1CCOCC1 ZINC000261886128 475099963 /nfs/dbraw/zinc/09/99/63/475099963.db2.gz VBVYSXYOZZZMTQ-SFHVURJKSA-N 0 3 330.428 2.708 40 0 EFABHN C[C@H]1C[C@@H](c2nc([C@@H]3CC(=O)N(c4ccccc4)C3)no2)CCN1C ZINC000333737654 476016215 /nfs/dbraw/zinc/01/62/15/476016215.db2.gz XCUIKFSOCYDIIR-SOUVJXGZSA-N 0 3 340.427 2.788 40 0 EFABHN O=C1CC[C@H](NCc2ccsc2C(F)(F)F)[C@@H]([C@H]2CCCO2)N1 ZINC000529574789 479211336 /nfs/dbraw/zinc/21/13/36/479211336.db2.gz WUWNKTKBCDBFJW-LOWVWBTDSA-N 0 3 348.390 2.683 40 0 EFABHN Cc1ncc(CN2CCC[C@@]3(CCC(=O)N3CCF)CC2)s1 ZINC000585099941 479283453 /nfs/dbraw/zinc/28/34/53/479283453.db2.gz ARRTVDLFWZSXJB-MRXNPFEDSA-N 0 3 325.453 2.768 40 0 EFABHN CCOC[C@H]1CCN(C)C2(CN(Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000585103071 479285081 /nfs/dbraw/zinc/28/50/81/479285081.db2.gz PPNKYYLFPDZXGU-INIZCTEOSA-N 0 3 348.487 2.637 40 0 EFABHN Cc1ccc(C)c(CN2CCOC[C@@]3(CC(=O)N(C(C)C)C3)C2)c1 ZINC000585104675 479285810 /nfs/dbraw/zinc/28/58/10/479285810.db2.gz QTPMQYVAUUPJEM-FQEVSTJZSA-N 0 3 330.472 2.763 40 0 EFABHN CC(C)S(=O)(=O)N1CC[C@H]2[C@@H](CN2C[C@@H](C)c2ccccc2)C1 ZINC000585107979 479287361 /nfs/dbraw/zinc/28/73/61/479287361.db2.gz PQIXQZHXEFKYGD-NJAFHUGGSA-N 0 3 336.501 2.534 40 0 EFABHN Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CN2CCC(C)C)C1 ZINC000585107917 479287521 /nfs/dbraw/zinc/28/75/21/479287521.db2.gz FOHHLIJOUQITCQ-IRXDYDNUSA-N 0 3 336.501 2.736 40 0 EFABHN Cc1cc([C@@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)ccn1 ZINC000585180250 479302170 /nfs/dbraw/zinc/30/21/70/479302170.db2.gz WBDZPUIVSUKVDR-IBGZPJMESA-N 0 3 339.439 2.665 40 0 EFABHN O[C@@]1(COc2ccc(F)c(Cl)c2)COCCN(C2CCCC2)C1 ZINC000585281774 479308328 /nfs/dbraw/zinc/30/83/28/479308328.db2.gz APLFVKRCCBRCQI-QGZVFWFLSA-N 0 3 343.826 2.864 40 0 EFABHN CO[C@H]1CCCN(C(=O)/C=C/CN(C)C)[C@H]1Cc1ccc(C)cc1 ZINC000585289255 479309678 /nfs/dbraw/zinc/30/96/78/479309678.db2.gz GTLHUTNKLGCXQQ-HZJMMZBYSA-N 0 3 330.472 2.661 40 0 EFABHN Cc1ccc(NC(=O)NCC2CCN([C@@H]3CCOC3)CC2)cc1C ZINC000575415585 479441634 /nfs/dbraw/zinc/44/16/34/479441634.db2.gz DTHPKTCYEWDLAP-GOSISDBHSA-N 0 3 331.460 2.926 40 0 EFABHN Cc1ccc(NC(=O)NCC2CCN([C@H]3CCOC3)CC2)cc1C ZINC000575415586 479442543 /nfs/dbraw/zinc/44/25/43/479442543.db2.gz DTHPKTCYEWDLAP-SFHVURJKSA-N 0 3 331.460 2.926 40 0 EFABHN O=C(NCC1CCN([C@@H]2CCOC2)CC1)c1ccc2ncsc2c1 ZINC000575606969 479450071 /nfs/dbraw/zinc/45/00/71/479450071.db2.gz NGENGXVYNGCLKO-OAHLLOKOSA-N 0 3 345.468 2.527 40 0 EFABHN Fc1ccc(CN2CCC[C@@H]2Cn2nnc(-c3ccccn3)n2)cc1 ZINC000012142294 526333670 /nfs/dbraw/zinc/33/36/70/526333670.db2.gz JWBARSYVGIUVHM-MRXNPFEDSA-N 0 3 338.390 2.539 40 0 EFABHN CN(C)CCOc1ccc(NC(=O)C(C)(C)c2ccccc2)cn1 ZINC000225943981 535906526 /nfs/dbraw/zinc/90/65/26/535906526.db2.gz MMABMTXBANTWNT-UHFFFAOYSA-N 0 3 327.428 2.938 40 0 EFABHN COc1ccc(C[C@H](C)CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000245289926 536520888 /nfs/dbraw/zinc/52/08/88/536520888.db2.gz GCBRCEYZHIMEER-FRQCXROJSA-N 0 3 347.503 2.855 40 0 EFABHN COc1ccccc1OCC(=O)N1CCC[C@@H]2N(C)CCC[C@@]21C ZINC000257253878 537088793 /nfs/dbraw/zinc/08/87/93/537088793.db2.gz KAQKCHSVFAZHNO-HKUYNNGSSA-N 0 3 332.444 2.549 40 0 EFABHN O=C1CC[C@@H]2CN(Cc3cnc4ccccc4n3)CC[C@@H]2N1C1CC1 ZINC000585094321 546371240 /nfs/dbraw/zinc/37/12/40/546371240.db2.gz JIPFRGBLAHOYJW-KUHUBIRLSA-N 0 3 336.439 2.605 40 0 EFABHN CNC(=O)c1ccn([C@@H]2CCCN(Cc3ccccc3C3CC3)C2)n1 ZINC000584908791 564133946 /nfs/dbraw/zinc/13/39/46/564133946.db2.gz HKJKVAJBHYEEJV-QGZVFWFLSA-N 0 3 338.455 2.957 40 0 EFABHN CN1C[C@@H](C(=O)NCc2ccccc2)[C@@H]2COc3ccc(F)cc3[C@@H]21 ZINC001772595651 1249165618 /nfs/dbraw/zinc/16/56/18/1249165618.db2.gz IYICFXPLKGCIPA-AOIWGVFYSA-N 0 3 340.398 2.753 40 0 EFABHN Cc1nc(COc2cccc(C(=O)NC3CCN(C)CC3)c2)cs1 ZINC000054460128 214239119 /nfs/dbraw/zinc/23/91/19/214239119.db2.gz QGUFZEXDCIFDTR-UHFFFAOYSA-N 0 3 345.468 2.855 40 0 EFABHN CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)[C@@H](N)C(C)C)CC1 ZINC000100177771 219093638 /nfs/dbraw/zinc/09/36/38/219093638.db2.gz ZGUQEAYRRWXYIK-ZNMIVQPWSA-N 0 3 341.496 2.654 40 0 EFABHN CO[C@@H]1CO[C@@H]2[C@@H](NCc3ccc(-c4ccccc4)cc3)CO[C@H]12 ZINC000004236457 210148260 /nfs/dbraw/zinc/14/82/60/210148260.db2.gz ACXPXPSPDKSDTC-MTQWCTHYSA-N 0 3 325.408 2.624 40 0 biogenic,in-vitro EFABHN Cc1noc(C)c1CN1CCc2ncnc(-c3cccnc3)c2CC1 ZINC000096255314 282385237 /nfs/dbraw/zinc/38/52/37/282385237.db2.gz BWSHLSGTKSUXHG-UHFFFAOYSA-N 0 3 335.411 2.744 40 0 EFABHN CCN(CC)CCOC(=O)C[C@@](C)(O)[C@@H]1CCO[C@](C)(CC)C1 ZINC000004027463 210103554 /nfs/dbraw/zinc/10/35/54/210103554.db2.gz NJVWNHTWZNLWLA-KBAYOESNSA-N 0 3 329.481 2.608 40 0 EFABHN CC(C)[C@H](NCC(=O)NCc1ccco1)c1ccc2c(c1)OCCO2 ZINC000040466259 213309315 /nfs/dbraw/zinc/30/93/15/213309315.db2.gz CTNCNYPBNIPOEA-IBGZPJMESA-N 0 3 344.411 2.654 40 0 EFABHN C[C@H]1C[C@@H](NC[C@H]2CCCN2S(C)(=O)=O)c2ccsc2S1 ZINC000090799420 291083892 /nfs/dbraw/zinc/08/38/92/291083892.db2.gz QPDXMSKYRPUMOM-DMDPSCGWSA-N 0 3 346.543 2.687 40 0 EFABHN Cc1ccc(C)c([C@@H](O)CN2CCO[C@H](CN3CCCCC3)C2)c1 ZINC000036734429 213114293 /nfs/dbraw/zinc/11/42/93/213114293.db2.gz DEMMFZOWNVDXFD-QUCCMNQESA-N 0 3 332.488 2.524 40 0 EFABHN O[C@@H](CN1CCC(n2ccc(C(F)(F)F)n2)CC1)CC(F)(F)F ZINC000189876765 237346207 /nfs/dbraw/zinc/34/62/07/237346207.db2.gz ONBOERJGYOGAEB-SNVBAGLBSA-N 0 3 345.287 2.852 40 0 EFABHN CN(Cc1cc(CC2(NCC3CC3)COC2)no1)Cc1ccccc1 ZINC000072321937 216149950 /nfs/dbraw/zinc/14/99/50/216149950.db2.gz AQTPDRGNSPBJFW-UHFFFAOYSA-N 0 3 341.455 2.618 40 0 biogenic,in-vitro EFABHN Cc1nc(Nc2ncccn2)cc([C@H]2CCCN2C2CCOCC2)n1 ZINC000072360362 216167083 /nfs/dbraw/zinc/16/70/83/216167083.db2.gz PXVQTDXPOATXCT-MRXNPFEDSA-N 0 3 340.431 2.635 40 0 EFABHN Cc1nccn1-c1nccnc1[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000072350555 216161860 /nfs/dbraw/zinc/16/18/60/216161860.db2.gz ZPEZRUHLRNNDNZ-QGZVFWFLSA-N 0 3 334.427 2.745 40 0 EFABHN Cc1ccc(Oc2cc(C)nc([C@@H]3CCCCN3C(=O)CN)n2)cc1 ZINC000072363215 216169936 /nfs/dbraw/zinc/16/99/36/216169936.db2.gz GLGMORRRDPQBLR-INIZCTEOSA-N 0 3 340.427 2.898 40 0 EFABHN CC(C)(N)C(=O)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072363061 216170401 /nfs/dbraw/zinc/17/04/01/216170401.db2.gz SMUBFVOOAOCVJJ-AWEZNQCLSA-N 0 3 340.427 2.712 40 0 EFABHN NCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccc(Cl)cc2)C1 ZINC000072363209 216170465 /nfs/dbraw/zinc/17/04/65/216170465.db2.gz DVDXJKCNJWCDOL-GFCCVEGCSA-N 0 3 346.818 2.587 40 0 EFABHN Cc1nc(C(=O)N2CCC(c3cc(N(C)C)cc(C)n3)CC2)co1 ZINC000072368590 216174398 /nfs/dbraw/zinc/17/43/98/216174398.db2.gz YYAPAXAXVRWKRH-UHFFFAOYSA-N 0 3 328.416 2.772 40 0 EFABHN Cc1nc(C(=O)N(C)Cc2ccccc2)cc(C2CCN(C)CC2)n1 ZINC000072382878 216184514 /nfs/dbraw/zinc/18/45/14/216184514.db2.gz BWXHTHCVMZULPP-UHFFFAOYSA-N 0 3 338.455 2.866 40 0 EFABHN O=c1cc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393075 216190791 /nfs/dbraw/zinc/19/07/91/216190791.db2.gz YBFVQCAKRUCDOQ-QGZVFWFLSA-N 0 3 347.422 2.607 40 0 EFABHN O=c1cc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393075 216190794 /nfs/dbraw/zinc/19/07/94/216190794.db2.gz YBFVQCAKRUCDOQ-QGZVFWFLSA-N 0 3 347.422 2.607 40 0 EFABHN CC(C)[C@H](N)C(=O)N(Cc1ccccc1Br)C1CC1 ZINC000037808841 213168349 /nfs/dbraw/zinc/16/83/49/213168349.db2.gz IQIVUTBMZYDPSJ-AWEZNQCLSA-N 0 3 325.250 2.923 40 0 EFABHN Cc1ccccc1NC(=O)CCN1CCCN(C(=O)C(C)(C)C)CC1 ZINC000072635530 216285171 /nfs/dbraw/zinc/28/51/71/216285171.db2.gz SKQKJUAGYMYQFE-UHFFFAOYSA-N 0 3 345.487 2.904 40 0 EFABHN COc1ccc(CN(CCN(C)C)Cc2ccncc2)cc1OC ZINC000022913763 212332825 /nfs/dbraw/zinc/33/28/25/212332825.db2.gz QERWNZWNVZKDGK-UHFFFAOYSA-N 0 3 329.444 2.663 40 0 EFABHN COc1ccccc1NC(=O)C[C@H](C)NC[C@H](c1ccco1)N(C)C ZINC000022787580 212325175 /nfs/dbraw/zinc/32/51/75/212325175.db2.gz WIVRCHJUARYGOA-GOEBONIOSA-N 0 3 345.443 2.898 40 0 EFABHN CCOC(=O)c1oc2c(c1C)[C@@H](NCC(C)(C)C(=O)NC)CCC2 ZINC000193067483 240004706 /nfs/dbraw/zinc/00/47/06/240004706.db2.gz BKQFZOBTFONJLX-LBPRGKRZSA-N 0 3 336.432 2.504 40 0 EFABHN C[C@H](NC(=O)C[C@H]1CNCCO1)c1cc(F)c(Cl)cc1Cl ZINC000252499638 240307503 /nfs/dbraw/zinc/30/75/03/240307503.db2.gz SDDHHVVWJBUFNQ-IUCAKERBSA-N 0 3 335.206 2.688 40 0 EFABHN Cc1c[nH]c(-c2cc([C@@H]3CCN(Cc4cccnc4)C3)nc(C)n2)n1 ZINC000257339428 240312317 /nfs/dbraw/zinc/31/23/17/240312317.db2.gz ZBRNJSCNKDOVNO-MRXNPFEDSA-N 0 3 334.427 2.868 40 0 EFABHN O[C@@H](CN1CCC[C@@H](c2nncn2C2CC2)C1)c1ccc(F)cc1 ZINC000195549430 241000284 /nfs/dbraw/zinc/00/02/84/241000284.db2.gz YPNQCGZQYMBYRB-PBHICJAKSA-N 0 3 330.407 2.665 40 0 EFABHN COC[C@@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218443783 241321513 /nfs/dbraw/zinc/32/15/13/241321513.db2.gz CMCXQBLTVDMMBV-QYZOEREBSA-N 0 3 345.464 2.526 40 0 EFABHN CCOC[C@@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218037625 241291783 /nfs/dbraw/zinc/29/17/83/241291783.db2.gz LJBXAPWNYOTERF-QYZOEREBSA-N 0 3 345.464 2.608 40 0 EFABHN S=C(NCCCN1CCc2ccccc2C1)Nc1ccncc1 ZINC000225744451 242015043 /nfs/dbraw/zinc/01/50/43/242015043.db2.gz XGGWWUBQUJNHDI-UHFFFAOYSA-N 0 3 326.469 2.816 40 0 EFABHN CN(C)C[C@@H](NC(=O)NCc1nccs1)c1ccc(Cl)cc1 ZINC000225788280 242036625 /nfs/dbraw/zinc/03/66/25/242036625.db2.gz DSHGMSGQTXFHAL-CYBMUJFWSA-N 0 3 338.864 2.899 40 0 EFABHN Cc1ccc(CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cn1 ZINC000230196731 242248436 /nfs/dbraw/zinc/24/84/36/242248436.db2.gz CIFBGRACDXOUCQ-BEFAXECRSA-N 0 3 338.455 2.710 40 0 EFABHN c1cc2n(c1)C[C@@H](OCc1ccncc1)CN(CC1CCOCC1)C2 ZINC000253588430 244026941 /nfs/dbraw/zinc/02/69/41/244026941.db2.gz CFJWJQJWSMMIHH-FQEVSTJZSA-N 0 3 341.455 2.711 40 0 EFABHN Cc1ccc(C[C@@H]2CCCN(Cc3cnc(N(C)C)nc3)C2)cn1 ZINC000257199654 244114444 /nfs/dbraw/zinc/11/44/44/244114444.db2.gz AAHNGLFOZRQJHA-KRWDZBQOSA-N 0 3 325.460 2.701 40 0 EFABHN CCN(Cc1ccccc1)C(=O)c1cncc([C@H]2CCCN(C)C2)n1 ZINC000257200447 244119160 /nfs/dbraw/zinc/11/91/60/244119160.db2.gz ADJKAJZVKNOGQF-KRWDZBQOSA-N 0 3 338.455 2.948 40 0 EFABHN Cc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000257210299 244147939 /nfs/dbraw/zinc/14/79/39/244147939.db2.gz BUADPFUOMUZLIS-KRWDZBQOSA-N 0 3 326.444 2.800 40 0 EFABHN COc1ccc2cc(CN3CC[C@@]4(CCCO4)[C@@H](O)C3)ccc2c1 ZINC000257210617 244150721 /nfs/dbraw/zinc/15/07/21/244150721.db2.gz BVLJGZZVPPIHRJ-PMACEKPBSA-N 0 3 327.424 2.964 40 0 EFABHN COc1cc(CN2CCC3(CC2)OCCC[C@@H]3OC)cc(OC)c1 ZINC000257212730 244158159 /nfs/dbraw/zinc/15/81/59/244158159.db2.gz CERRIRWXRSZKBZ-SFHVURJKSA-N 0 3 335.444 2.864 40 0 EFABHN Cc1ncsc1-c1cc(C(=O)NCCN2CCCCC2)ccn1 ZINC000257214846 244164168 /nfs/dbraw/zinc/16/41/68/244164168.db2.gz CNQXSRXKZYYYLV-UHFFFAOYSA-N 0 3 330.457 2.729 40 0 EFABHN NCc1cnn(-c2ccccc2C(=O)N2CCc3ccccc3C2)c1 ZINC000257223787 244192914 /nfs/dbraw/zinc/19/29/14/244192914.db2.gz DYVSEZKFKFXJHF-UHFFFAOYSA-N 0 3 332.407 2.530 40 0 EFABHN Cn1nccc1CN1CCN(C)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257231578 244213915 /nfs/dbraw/zinc/21/39/15/244213915.db2.gz GHIQQZJVUFQLJG-QGZVFWFLSA-N 0 3 349.482 2.575 40 0 EFABHN Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)n1 ZINC000257219599 244177998 /nfs/dbraw/zinc/17/79/98/244177998.db2.gz DHJJAVJQAQPJLU-AWEZNQCLSA-N 0 3 340.427 2.951 40 0 EFABHN Cc1ncsc1CN1CC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257219831 244182681 /nfs/dbraw/zinc/18/26/81/244182681.db2.gz DIINUAMZRIUUTF-ZDUSSCGKSA-N 0 3 340.456 2.696 40 0 EFABHN Cc1nc(-c2nccn2C)cc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000257240211 244241813 /nfs/dbraw/zinc/24/18/13/244241813.db2.gz HSOOCVPZKYZYLR-KRWDZBQOSA-N 0 3 348.454 2.960 40 0 EFABHN CCOc1ccc(CN2CC[C@@H](c3nccc(C)n3)C2)cc1CO ZINC000257256098 244280961 /nfs/dbraw/zinc/28/09/61/244280961.db2.gz KKBHICRCOGBSFQ-MRXNPFEDSA-N 0 3 327.428 2.666 40 0 EFABHN CNc1cc(C)nc([C@@H]2CN(C(=O)c3cc(C(C)C)no3)CCO2)c1 ZINC000257265549 244361065 /nfs/dbraw/zinc/36/10/65/244361065.db2.gz LZDIOUFWUCNEIQ-KRWDZBQOSA-N 0 3 344.415 2.757 40 0 EFABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)Cc3cccs3)CCO2)n1 ZINC000257269367 244370340 /nfs/dbraw/zinc/37/03/40/244370340.db2.gz MPQZJMLSZKQXRK-KRWDZBQOSA-N 0 3 345.468 2.660 40 0 EFABHN CNc1cc(C)nc([C@H]2CCN(C(=O)c3n[nH]c4ccccc43)C2)c1 ZINC000257276904 244394020 /nfs/dbraw/zinc/39/40/20/244394020.db2.gz NVPYCTOFWAXDLF-ZDUSSCGKSA-N 0 3 335.411 2.938 40 0 EFABHN CN(c1ccc(F)cc1)[C@@H]1COC2(C1)CCN(Cc1c[nH]cn1)CC2 ZINC000257276651 244395368 /nfs/dbraw/zinc/39/53/68/244395368.db2.gz NUPFMFZQZLRABI-SFHVURJKSA-N 0 3 344.434 2.809 40 0 EFABHN CN(c1ccc(F)cc1)[C@@H]1COC2(C1)CCN(Cc1cnc[nH]1)CC2 ZINC000257276651 244395376 /nfs/dbraw/zinc/39/53/76/244395376.db2.gz NUPFMFZQZLRABI-SFHVURJKSA-N 0 3 344.434 2.809 40 0 EFABHN Cc1nc2ccccn2c1CN1CC[C@H](C(=O)NC2CCCC2)C1 ZINC000019750426 212062321 /nfs/dbraw/zinc/06/23/21/212062321.db2.gz PLUKBUGEFCXILB-HNNXBMFYSA-N 0 3 326.444 2.523 40 0 EFABHN COCc1ccc(CN2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)o1 ZINC000019594503 212049852 /nfs/dbraw/zinc/04/98/52/212049852.db2.gz ZOSPZVPEOFAUQY-YJLNNSPDSA-N 0 3 328.412 2.551 40 0 EFABHN CN1CCc2nc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)ncc2C1 ZINC000019590368 212049082 /nfs/dbraw/zinc/04/90/82/212049082.db2.gz OMHVTJPWKDYGGY-MRXNPFEDSA-N 0 3 342.487 2.751 40 0 EFABHN CC[C@H](c1nnnn1CCC(C)C)N1CCN(C2CCCC2)CC1 ZINC000019500633 212034025 /nfs/dbraw/zinc/03/40/25/212034025.db2.gz PFBVRTGOALXPOW-QGZVFWFLSA-N 0 3 334.512 2.731 40 0 EFABHN COc1ccccc1CN1CCC[C@H](c2nn(C)c3nccnc23)C1 ZINC000019289396 212012266 /nfs/dbraw/zinc/01/22/66/212012266.db2.gz VEOKFCAFTDFZFT-HNNXBMFYSA-N 0 3 337.427 2.752 40 0 EFABHN COc1ccc(CN2CCC[C@@H](c3nn(C)c4nccnc34)C2)cc1 ZINC000019289385 212011755 /nfs/dbraw/zinc/01/17/55/212011755.db2.gz OAUDZTSYLKDNLP-OAHLLOKOSA-N 0 3 337.427 2.752 40 0 EFABHN Cc1cnc(-c2nnc([C@H]3CCN(Cc4ccccc4F)C3)o2)cn1 ZINC000019239192 212008444 /nfs/dbraw/zinc/00/84/44/212008444.db2.gz KVGQNBGCDKABNJ-AWEZNQCLSA-N 0 3 339.374 2.964 40 0 EFABHN Cc1cc2nc([C@@H]3CCCN(Cc4ccc(C)o4)C3)cc(N)n2n1 ZINC000019216611 212005366 /nfs/dbraw/zinc/00/53/66/212005366.db2.gz IXPVNGILTFEYSO-CQSZACIVSA-N 0 3 325.416 2.901 40 0 EFABHN COc1ccc([C@@H](C)NC(=O)N(C)CC2CCN(C)CC2)cc1F ZINC000078441083 217052626 /nfs/dbraw/zinc/05/26/26/217052626.db2.gz UGPGNIVNXGCFRY-CYBMUJFWSA-N 0 3 337.439 2.879 40 0 EFABHN CCN1CCN(CCC(=O)N[C@H](C)c2ccc(Cl)s2)CC1 ZINC000078394350 217047065 /nfs/dbraw/zinc/04/70/65/217047065.db2.gz RHQMOYNTFLDQEV-GFCCVEGCSA-N 0 3 329.897 2.606 40 0 EFABHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2c[nH]nc2C)CC1 ZINC000078553350 217074830 /nfs/dbraw/zinc/07/48/30/217074830.db2.gz YXGKRWHGMAHQST-OAHLLOKOSA-N 0 3 345.466 2.850 40 0 EFABHN Cc1cc(C)cc([C@@H](C)NCc2cnc(N3CCOCC3)nc2)c1 ZINC000078656935 217096531 /nfs/dbraw/zinc/09/65/31/217096531.db2.gz MZMLCCLRTXPOGU-MRXNPFEDSA-N 0 3 326.444 2.781 40 0 EFABHN CC(C(=O)N[C@H](CCc1ccccc1)c1ccccc1)S(C)(=O)=O ZINC000079039377 217179878 /nfs/dbraw/zinc/17/98/78/217179878.db2.gz VWAMUBYPNVZKGG-MAUKXSAKSA-N 0 3 345.464 2.910 40 0 EFABHN CN(C)CCN(C(=O)c1csc(-c2cnccn2)n1)C1CCCC1 ZINC000079050123 217181706 /nfs/dbraw/zinc/18/17/06/217181706.db2.gz LYLISZSFGMYQHQ-UHFFFAOYSA-N 0 3 345.472 2.547 40 0 EFABHN COc1ccccc1NCC(=O)NC1CCN(CC=C(C)C)CC1 ZINC000079049473 217181919 /nfs/dbraw/zinc/18/19/19/217181919.db2.gz RDSXNYGHKMYKOW-UHFFFAOYSA-N 0 3 331.460 2.654 40 0 EFABHN C[C@@H](NC1(CNC(=O)c2cscn2)CCOCC1)c1ccccc1 ZINC000079096142 217192141 /nfs/dbraw/zinc/19/21/41/217192141.db2.gz UTKCNWXUVRTRQP-CQSZACIVSA-N 0 3 345.468 2.773 40 0 EFABHN CC(=O)Nc1cccc(CN(C)C[C@H](O)COCc2ccccc2)c1 ZINC000079311491 217207742 /nfs/dbraw/zinc/20/77/42/217207742.db2.gz FXQHZWQVAZEMDO-FQEVSTJZSA-N 0 3 342.439 2.655 40 0 EFABHN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@@]2(CCOC2)C1 ZINC000110677950 220055694 /nfs/dbraw/zinc/05/56/94/220055694.db2.gz WEVVDIYGADOERQ-SCLBCKFNSA-N 0 3 338.398 2.597 40 0 EFABHN CC(C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C(F)(F)F ZINC000079460022 217227666 /nfs/dbraw/zinc/22/76/66/217227666.db2.gz 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/nfs/dbraw/zinc/52/26/77/275522677.db2.gz PVHYSIRBQBWLRV-CABCVRRESA-N 0 3 339.867 2.939 40 0 EFABHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2CCOc3ccccc32)C1 ZINC000195554847 277155298 /nfs/dbraw/zinc/15/52/98/277155298.db2.gz KJZIICMAGKMOKZ-XYJFISCASA-N 0 3 343.471 2.678 40 0 EFABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](CN)c2ccccc2Cl)C1 ZINC000022927591 278439315 /nfs/dbraw/zinc/43/93/15/278439315.db2.gz UPAMDOYRFUOKHL-DOMZBBRYSA-N 0 3 339.867 2.939 40 0 EFABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](CN)c2ccc(Cl)cc2)C1 ZINC000255995586 278439322 /nfs/dbraw/zinc/43/93/22/278439322.db2.gz PVHYSIRBQBWLRV-HUUCEWRRSA-N 0 3 339.867 2.939 40 0 EFABHN NCCN1c2ccc(Cl)cc2C(c2ccccc2F)=NCC1=O ZINC000005846956 295233300 /nfs/dbraw/zinc/23/33/00/295233300.db2.gz MVAUDJDXZPBWOW-UHFFFAOYSA-N 0 3 331.778 2.622 40 0 in-vitro EFABHN C[C@H]1C[C@@H](c2nc(-c3cn(C)nc3C(F)(F)F)no2)CCN1C ZINC000331618469 311397981 /nfs/dbraw/zinc/39/79/81/311397981.db2.gz SXUVCMSKTKTWHH-IUCAKERBSA-N 0 3 329.326 2.687 40 0 EFABHN CCS(=O)(=O)C[C@@H](C)N[C@@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000097230727 323213852 /nfs/dbraw/zinc/21/38/52/323213852.db2.gz XUJUSWYKPOFPKS-GDBMZVCRSA-N 0 3 342.480 2.516 40 0 EFABHN CCS(=O)(=O)C[C@@H](C)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000097230708 323213941 /nfs/dbraw/zinc/21/39/41/323213941.db2.gz HCARPXJLPRLOCA-KGLIPLIRSA-N 0 3 344.908 2.722 40 0 EFABHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000097230706 323214028 /nfs/dbraw/zinc/21/40/28/323214028.db2.gz HCARPXJLPRLOCA-UONOGXRCSA-N 0 3 344.908 2.722 40 0 EFABHN CN(C)CCN(C)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000156007229 323221432 /nfs/dbraw/zinc/22/14/32/323221432.db2.gz XZIIWDPRQDSMFB-GFCCVEGCSA-N 0 3 339.308 2.771 40 0 EFABHN COc1ccc([C@H](N)c2n[nH]c(-c3ccc(F)cc3)n2)cc1OC ZINC000095533782 473222140 /nfs/dbraw/zinc/22/21/40/473222140.db2.gz GULLJVQGPCBNMJ-HNNXBMFYSA-N 0 3 328.347 2.676 40 0 EFABHN CCOc1cc([C@H](N)c2n[nH]c(-c3ccc(O)cc3)n2)ccc1OC ZINC000095534386 473224253 /nfs/dbraw/zinc/22/42/53/473224253.db2.gz 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/nfs/dbraw/zinc/26/98/23/473269823.db2.gz SCSXIMAXTOOFDK-IBGZPJMESA-N 0 3 325.412 2.803 40 0 EFABHN O=C1C[C@]2(CCN(Cc3ccoc3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050763 473273038 /nfs/dbraw/zinc/27/30/38/473273038.db2.gz AMVWFFGBKFAIMD-IBGZPJMESA-N 0 3 340.379 2.637 40 0 EFABHN O=C1N(Cc2cccc(F)c2)CC[C@@]12CCN(Cc1cccnc1)C2 ZINC000096050630 473273851 /nfs/dbraw/zinc/27/38/51/473273851.db2.gz PEFDQEFNZAIBEE-HXUWFJFHSA-N 0 3 339.414 2.845 40 0 EFABHN Cc1cccc(CN2CC[C@@]3(CCCN(Cc4ccco4)C3)C2=O)n1 ZINC000096048787 473270652 /nfs/dbraw/zinc/27/06/52/473270652.db2.gz XRBFRNVMGXOUAI-HXUWFJFHSA-N 0 3 339.439 2.998 40 0 EFABHN Cn1ccc(C(=O)N[C@@H]2CCC23CCN(Cc2cccnc2)CC3)c1 ZINC000096051702 473275333 /nfs/dbraw/zinc/27/53/33/473275333.db2.gz FPMYFGMRUTVJOJ-GOSISDBHSA-N 0 3 338.455 2.595 40 0 EFABHN Cc1cccc(C(=O)N2C[C@@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)n1 ZINC000096053890 473276488 /nfs/dbraw/zinc/27/64/88/473276488.db2.gz HRFYXYRLECEFNU-IRXDYDNUSA-N 0 3 339.414 2.733 40 0 EFABHN c1csc(CN2CCN3C[C@@H](OCc4ccccn4)C[C@H]3C2)c1 ZINC000096055113 473279673 /nfs/dbraw/zinc/27/96/73/473279673.db2.gz VCDMXQBQZCWDQR-IRXDYDNUSA-N 0 3 329.469 2.618 40 0 EFABHN c1cc(CN2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)cs1 ZINC000096055034 473279721 /nfs/dbraw/zinc/27/97/21/473279721.db2.gz JHQVMIFJKJYNCS-ROUUACIJSA-N 0 3 329.469 2.618 40 0 EFABHN c1cc(CNC[C@H]2OCCc3cn(CC4CCOCC4)nc32)cs1 ZINC000096059762 473283179 /nfs/dbraw/zinc/28/31/79/473283179.db2.gz RTNGXRBZFZZRMA-QGZVFWFLSA-N 0 3 347.484 2.775 40 0 EFABHN O=C1NC2(C[C@@H]1c1cccnc1)CCN(Cc1ccsc1)CC2 ZINC000096061375 473285892 /nfs/dbraw/zinc/28/58/92/473285892.db2.gz HROLHJRNSYFPMR-MRXNPFEDSA-N 0 3 327.453 2.781 40 0 EFABHN c1csc(CNC[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)c1 ZINC000096061071 473286154 /nfs/dbraw/zinc/28/61/54/473286154.db2.gz YCQIHHWTFABLJO-CQSZACIVSA-N 0 3 326.425 2.695 40 0 EFABHN COCCC(=O)N1CCC2(C1)CCN(Cc1cccc(OC)c1)CC2 ZINC000096062891 473287553 /nfs/dbraw/zinc/28/75/53/473287553.db2.gz FSXYVMRGMJSUHP-UHFFFAOYSA-N 0 3 346.471 2.546 40 0 EFABHN CN(C)[C@@H]1CCN(C(=O)Cc2cccc(F)c2)[C@H]1Cc1cccnc1 ZINC000096070025 473289964 /nfs/dbraw/zinc/28/99/64/473289964.db2.gz CAGHVVMAOJXNKY-MOPGFXCFSA-N 0 3 341.430 2.537 40 0 EFABHN Cc1nocc1C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000096079740 473290788 /nfs/dbraw/zinc/29/07/88/473290788.db2.gz VYZHZOOAFIUECN-MRXNPFEDSA-N 0 3 341.411 2.701 40 0 EFABHN c1csc(N2CCOCC3(CCN(Cc4cccnc4)CC3)C2)n1 ZINC000096078266 473291991 /nfs/dbraw/zinc/29/19/91/473291991.db2.gz LRMBOSLVSIKAPC-UHFFFAOYSA-N 0 3 344.484 2.657 40 0 EFABHN Cc1ccsc1CN1C[C@@H]2CN(C(=O)c3ccco3)CCO[C@@H]2C1 ZINC000096108076 473300379 /nfs/dbraw/zinc/30/03/79/473300379.db2.gz DTMUDHDPSCKKHK-GDBMZVCRSA-N 0 3 346.452 2.623 40 0 EFABHN Cc1ncsc1CN1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC000096109018 473301753 /nfs/dbraw/zinc/30/17/53/473301753.db2.gz ZEXACSHDSQAHJI-QAPCUYQASA-N 0 3 345.468 2.512 40 0 EFABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccco3)C2)s1 ZINC000096108448 473301833 /nfs/dbraw/zinc/30/18/33/473301833.db2.gz RFIKLGJBMXEZPN-KDOFPFPSSA-N 0 3 346.452 2.528 40 0 EFABHN CN(C)C(=O)COC[C@@]12CCC[C@@H]1CN(Cc1ccccc1F)C2 ZINC000096109173 473302757 /nfs/dbraw/zinc/30/27/57/473302757.db2.gz HETANMLPTAVGCU-APWZRJJASA-N 0 3 334.435 2.533 40 0 EFABHN O=C(NC[C@]12COC[C@H]1CN(Cc1cccs1)C2)c1ccsc1 ZINC000096108462 473302975 /nfs/dbraw/zinc/30/29/75/473302975.db2.gz PRZRRFXKFHMXPJ-PBHICJAKSA-N 0 3 348.493 2.688 40 0 EFABHN O=C(NCC1CC1)[C@H]1CCC2(CCN(Cc3ccccc3F)CC2)O1 ZINC000096111108 473303241 /nfs/dbraw/zinc/30/32/41/473303241.db2.gz PPHMEFYLWRJMFB-GOSISDBHSA-N 0 3 346.446 2.866 40 0 EFABHN Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2ccsc2)cs1 ZINC000096110712 473303374 /nfs/dbraw/zinc/30/33/74/473303374.db2.gz JTFPBIUNGOFQKK-LSDHHAIUSA-N 0 3 333.482 2.888 40 0 EFABHN Cc1ccc2nc3n(c2c1)[C@@H](CNCc1ccncc1F)COC3 ZINC000096112838 473305754 /nfs/dbraw/zinc/30/57/54/473305754.db2.gz WXZUIPKVYGSDAM-AWEZNQCLSA-N 0 3 326.375 2.740 40 0 biogenic,in-vitro EFABHN CN(Cc1cccnc1)C1CC2(C1)CCN(c1ncc(F)cn1)CC2 ZINC000096159248 473319536 /nfs/dbraw/zinc/31/95/36/473319536.db2.gz RERRGFIJWZTWBH-UHFFFAOYSA-N 0 3 341.434 2.892 40 0 EFABHN CN(Cc1ccccn1)C1CC2(C1)CCN(Cc1nccn1C)CC2 ZINC000096159260 473319647 /nfs/dbraw/zinc/31/96/47/473319647.db2.gz NHUSPHNCFOXIDN-UHFFFAOYSA-N 0 3 339.487 2.692 40 0 EFABHN O=C(c1cccnc1)N1CCC2(CCN(Cc3ccccn3)C2)CC1 ZINC000096157642 473316461 /nfs/dbraw/zinc/31/64/61/473316461.db2.gz MWNATWZYIJLIGB-UHFFFAOYSA-N 0 3 336.439 2.605 40 0 EFABHN Cc1ccc(CN2CCC3(CCN(c4cncnc4)C3=O)CC2)cc1 ZINC000096157914 473317672 /nfs/dbraw/zinc/31/76/72/473317672.db2.gz JFPPRTSGBICJBR-UHFFFAOYSA-N 0 3 336.439 2.804 40 0 EFABHN Cn1cccc1CN1CCC2(CC1)CCN(c1ncccn1)CC2 ZINC000096158452 473317690 /nfs/dbraw/zinc/31/76/90/473317690.db2.gz UZNPGDWPOJHKDJ-UHFFFAOYSA-N 0 3 325.460 2.698 40 0 EFABHN Cc1ccc(CN2CCC3(CCN(c4cnn(C)c4)C3=O)CC2)cc1 ZINC000096157952 473317898 /nfs/dbraw/zinc/31/78/98/473317898.db2.gz YIILFRVUAJPXPA-UHFFFAOYSA-N 0 3 338.455 2.748 40 0 EFABHN Cc1noc(C)c1CN1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC000096158243 473318813 /nfs/dbraw/zinc/31/88/13/473318813.db2.gz BEIJTJUMNBSURV-GOSISDBHSA-N 0 3 327.432 2.574 40 0 EFABHN CC(C)n1c2ccccc2nc1[C@@H](C)N[C@H](C)CN1CCOCC1 ZINC000162250641 473321476 /nfs/dbraw/zinc/32/14/76/473321476.db2.gz YCTSGECCNXKDNE-HZPDHXFCSA-N 0 3 330.476 2.989 40 0 EFABHN CN(Cc1ccco1)C[C@H]1OC[C@@H]2CCN(Cc3ccncc3)C[C@@H]21 ZINC000096185515 473326901 /nfs/dbraw/zinc/32/69/01/473326901.db2.gz LWXDLDLNCSPPEQ-YSIASYRMSA-N 0 3 341.455 2.644 40 0 EFABHN Cc1cccc(Cn2c(=O)ccc3c2CCN(Cc2ccoc2)CC3)n1 ZINC000096196728 473332201 /nfs/dbraw/zinc/33/22/01/473332201.db2.gz WSKNLPDFDHOJCJ-UHFFFAOYSA-N 0 3 349.434 2.794 40 0 EFABHN Cc1ccc(CN2CCc3ncc(Cn4cccn4)n3CC2)s1 ZINC000096196937 473332516 /nfs/dbraw/zinc/33/25/16/473332516.db2.gz VWLGKYUNYKRWJF-UHFFFAOYSA-N 0 3 327.457 2.556 40 0 EFABHN O=C1C[C@H](c2cccnc2)C2(CCN(Cc3cccs3)CC2)N1 ZINC000096199696 473335730 /nfs/dbraw/zinc/33/57/30/473335730.db2.gz YSDFWAFEMSXFJZ-MRXNPFEDSA-N 0 3 327.453 2.781 40 0 EFABHN c1csc(CN2CC[C@@]3(C2)COCCN(Cc2cccnc2)C3)c1 ZINC000096202177 473337951 /nfs/dbraw/zinc/33/79/51/473337951.db2.gz WZIFMGPUUPMFOC-IBGZPJMESA-N 0 3 343.496 2.868 40 0 EFABHN c1csc(CN2CC[C@]3(C2)COCCN(Cc2ccccn2)C3)c1 ZINC000096202176 473338321 /nfs/dbraw/zinc/33/83/21/473338321.db2.gz JHQLOCGHGWXDBY-LJQANCHMSA-N 0 3 343.496 2.868 40 0 EFABHN c1csc(CN2CC[C@@]3(C2)COCCN(Cc2nccs2)C3)c1 ZINC000096202174 473338758 /nfs/dbraw/zinc/33/87/58/473338758.db2.gz CJDHKKPXXYWLED-KRWDZBQOSA-N 0 3 349.525 2.929 40 0 EFABHN c1csc(CN2CCOC[C@]3(CCN(Cc4cccnc4)C3)C2)c1 ZINC000096202098 473339400 /nfs/dbraw/zinc/33/94/00/473339400.db2.gz BVFSPEOCGOHPNL-IBGZPJMESA-N 0 3 343.496 2.868 40 0 EFABHN O=C(C[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@H]21)Nc1cccnc1 ZINC000096206086 473340833 /nfs/dbraw/zinc/34/08/33/473340833.db2.gz IDNVGSQIPKAFTO-NXHRZFHOSA-N 0 3 341.411 2.540 40 0 EFABHN Cc1ccncc1COC[C@@]12CCC[C@@H]1CN(Cc1cnn(C)c1)C2 ZINC000096206021 473340897 /nfs/dbraw/zinc/34/08/97/473340897.db2.gz PNBJGHLMKCJNKS-UXHICEINSA-N 0 3 340.471 2.942 40 0 EFABHN Cn1cc(CN2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)cn1 ZINC000096207966 473341910 /nfs/dbraw/zinc/34/19/10/473341910.db2.gz XOHKKWDFTMIGRX-MOPGFXCFSA-N 0 3 326.444 2.634 40 0 EFABHN CC(C)C(=O)NCC[C@@]12CCO[C@@H]1CCN(Cc1cccc(F)c1)C2 ZINC000096208099 473342034 /nfs/dbraw/zinc/34/20/34/473342034.db2.gz FNMIMYHLLNYRMJ-QUCCMNQESA-N 0 3 348.462 2.969 40 0 EFABHN CN1CCN(C[C@H]2CCC[C@]3(CCN(Cc4cccs4)C3)O2)CC1 ZINC000096207381 473342080 /nfs/dbraw/zinc/34/20/80/473342080.db2.gz RRBDUIABYFMICP-IEBWSBKVSA-N 0 3 349.544 2.509 40 0 EFABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096228755 473358369 /nfs/dbraw/zinc/35/83/69/473358369.db2.gz ZRPOCJDFPJMHLT-SFHVURJKSA-N 0 3 336.501 2.640 40 0 EFABHN c1ncn2c1CN(CC1CCC1)C[C@@H](COCc1ccccn1)C2 ZINC000096219866 473354421 /nfs/dbraw/zinc/35/44/21/473354421.db2.gz KSMLABYYTZIDMD-QGZVFWFLSA-N 0 3 326.444 2.727 40 0 EFABHN Cn1cc(N2CC[C@]3(CCCN(Cc4ccsc4)C3)C2=O)cn1 ZINC000096224624 473355100 /nfs/dbraw/zinc/35/51/00/473355100.db2.gz WZNLTOYESMDDDH-KRWDZBQOSA-N 0 3 330.457 2.501 40 0 EFABHN O=C1N(Cc2cccnc2)CC[C@@]12CCCN(Cc1ccoc1)C2 ZINC000096224313 473355654 /nfs/dbraw/zinc/35/56/54/473355654.db2.gz UBVXIEVVVLHIDX-LJQANCHMSA-N 0 3 325.412 2.689 40 0 EFABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096228754 473358781 /nfs/dbraw/zinc/35/87/81/473358781.db2.gz ZRPOCJDFPJMHLT-GOSISDBHSA-N 0 3 336.501 2.640 40 0 EFABHN O=C(c1cccs1)N1CCC[C@@]2(C1)COCCN(CC1CC1)C2 ZINC000096228811 473359409 /nfs/dbraw/zinc/35/94/09/473359409.db2.gz MBPWLKURJKOKIT-GOSISDBHSA-N 0 3 334.485 2.713 40 0 EFABHN c1coc(CN2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3CC2)c1 ZINC000096249373 473363847 /nfs/dbraw/zinc/36/38/47/473363847.db2.gz PNQTYYMGKCOXSE-OALUTQOASA-N 0 3 327.428 2.540 40 0 EFABHN O=C(c1ccncc1)N1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC000096245565 473364468 /nfs/dbraw/zinc/36/44/68/473364468.db2.gz OAHKYJBBMWDKNQ-CALCHBBNSA-N 0 3 341.842 2.939 40 0 EFABHN Cc1nc(CN2CCO[C@@H]3CCN(Cc4ccco4)CC[C@@H]32)cs1 ZINC000096249402 473364491 /nfs/dbraw/zinc/36/44/91/473364491.db2.gz RFZHUHIOIKVRKC-ZWKOTPCHSA-N 0 3 347.484 2.910 40 0 EFABHN Cc1ccc(CN2CCC3(C[C@@H](c4cccnc4)C(=O)N3C)CC2)o1 ZINC000096261164 473368444 /nfs/dbraw/zinc/36/84/44/473368444.db2.gz JSTYXJRJUYFKEI-SFHVURJKSA-N 0 3 339.439 2.964 40 0 EFABHN Cc1cccc(CNC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)n1 ZINC000096296294 473372811 /nfs/dbraw/zinc/37/28/11/473372811.db2.gz VWGUUMQHTXFQSL-SFHVURJKSA-N 0 3 334.423 2.942 40 0 biogenic,in-vitro EFABHN O=C(N1CC[C@H](N2CCCC2)C1)C1(c2ccc(F)cc2)CCOCC1 ZINC000096403563 473380100 /nfs/dbraw/zinc/38/01/00/473380100.db2.gz ZZFPVYYLGIKGMS-SFHVURJKSA-N 0 3 346.446 2.571 40 0 EFABHN COc1cccc(-c2cc3nc(C)c(C)c(NCCN(C)C)n3n2)c1 ZINC000001340846 471386124 /nfs/dbraw/zinc/38/61/24/471386124.db2.gz OQWJYBSYLBFJFS-UHFFFAOYSA-N 0 3 339.443 2.995 40 0 EFABHN CC(=O)c1ccc(OC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)cc1 ZINC000001475539 471392144 /nfs/dbraw/zinc/39/21/44/471392144.db2.gz WPBBXJYMBHPLLZ-QGZVFWFLSA-N 0 3 349.471 2.643 40 0 aggregator EFABHN CCOc1ccc(-c2ccc(=O)n(CCN3CCCCC3)n2)cc1 ZINC000005396416 471503586 /nfs/dbraw/zinc/50/35/86/471503586.db2.gz RHPOIUJNXFUSBT-UHFFFAOYSA-N 0 3 327.428 2.795 40 0 EFABHN CC[C@@H](CN1CCCCC1)NC(=O)Cc1cc(C(C)=O)ccc1OC ZINC000012362976 471773950 /nfs/dbraw/zinc/77/39/50/471773950.db2.gz IIUQSJOMJXKGPT-SFHVURJKSA-N 0 3 346.471 2.821 40 0 EFABHN Cc1ccn(CCNCc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)n1 ZINC000012670716 471788582 /nfs/dbraw/zinc/78/85/82/471788582.db2.gz NLJFZMXGKVWROH-UHFFFAOYSA-N 0 3 342.830 2.990 40 0 EFABHN Cc1ccc(CS(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000013612320 471835074 /nfs/dbraw/zinc/83/50/74/471835074.db2.gz GAOBDYGWLYBQRF-IRXDYDNUSA-N 0 3 338.517 2.782 40 0 EFABHN CN(C)CCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000013673813 471837563 /nfs/dbraw/zinc/83/75/63/471837563.db2.gz ADYBOLRSHBSIFV-UHFFFAOYSA-N 0 3 337.467 2.536 40 0 EFABHN CN1CCc2nc([C@H]3CCCN(C(=O)CC(C)(C)C)C3)ncc2C1 ZINC000019082634 471976471 /nfs/dbraw/zinc/97/64/71/471976471.db2.gz JZXZDQJTTFBPOR-AWEZNQCLSA-N 0 3 330.476 2.607 40 0 EFABHN O[C@@H]1C[C@H]2CN(Cc3ccsc3)[C@H](Cc3ccccc3)CN2C1 ZINC000019372773 471979943 /nfs/dbraw/zinc/97/99/43/471979943.db2.gz DTPXCMUJTPLMIX-CEXWTWQISA-N 0 3 328.481 2.610 40 0 EFABHN C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H](C)C1 ZINC000020680731 471993025 /nfs/dbraw/zinc/99/30/25/471993025.db2.gz WFADLTDLKZGSOQ-HNDBUQABSA-N 0 3 347.503 2.901 40 0 EFABHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC1(Cl)Cl ZINC000025464982 472097627 /nfs/dbraw/zinc/09/76/27/472097627.db2.gz ROAKOJPZCODBQM-CQSZACIVSA-N 0 3 327.255 2.961 40 0 EFABHN O=C(NCc1ccccc1CN1CCC(O)CC1)Nc1ccccc1 ZINC000075535670 472152929 /nfs/dbraw/zinc/15/29/29/472152929.db2.gz BCLSEIJSGRIEMD-UHFFFAOYSA-N 0 3 339.439 2.965 40 0 EFABHN COC(=O)c1ccc(OC[C@@H](O)CN[C@H](C)c2ccccc2)cc1 ZINC000027530302 472179292 /nfs/dbraw/zinc/17/92/92/472179292.db2.gz RAAQWHZPYFVJFK-PBHICJAKSA-N 0 3 329.396 2.564 40 0 EFABHN C[C@H](Oc1ccccc1)C(=O)N1CCCSC[C@@H]1CN1CCCC1 ZINC000085436272 472248189 /nfs/dbraw/zinc/24/81/89/472248189.db2.gz GKHOBZXTFIIKMI-IRXDYDNUSA-N 0 3 348.512 2.884 40 0 EFABHN CC(C)CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000085584978 472259519 /nfs/dbraw/zinc/25/95/19/472259519.db2.gz LWMWRILSWUDGJH-UHFFFAOYSA-N 0 3 346.475 2.647 40 0 EFABHN CC(C)CN(CCN(C)C)C(=O)Nc1ccc([S@@](C)=O)c(F)c1 ZINC000085611717 472261214 /nfs/dbraw/zinc/26/12/14/472261214.db2.gz AWONDOVMGBCQSL-QHCPKHFHSA-N 0 3 343.468 2.615 40 0 EFABHN CS(=O)(=O)N1CCC[C@H](CN2CCC[C@@H]2c2ccsc2)C1 ZINC000085786549 472266012 /nfs/dbraw/zinc/26/60/12/472266012.db2.gz XQDRJLYGENAHLF-UKRRQHHQSA-N 0 3 328.503 2.557 40 0 EFABHN CCN1CCC(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000029607140 472284268 /nfs/dbraw/zinc/28/42/68/472284268.db2.gz FUVNSRQSHQLMIL-UHFFFAOYSA-N 0 3 338.455 2.964 40 0 EFABHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CCCn1ccnc1 ZINC000076387736 472336246 /nfs/dbraw/zinc/33/62/46/472336246.db2.gz CZVSGWYSUOBCKO-SFHVURJKSA-N 0 3 340.471 2.786 40 0 EFABHN Cc1cnn(CCC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000076389554 472336762 /nfs/dbraw/zinc/33/67/62/472336762.db2.gz XQBBRJADVZLQIK-SFHVURJKSA-N 0 3 340.471 2.705 40 0 EFABHN CCN(CCC(=O)Nc1cc(C)on1)Cc1ccc2c(c1)OCO2 ZINC000044869016 472345694 /nfs/dbraw/zinc/34/56/94/472345694.db2.gz XHBHHLVUJFZGIK-UHFFFAOYSA-N 0 3 331.372 2.562 40 0 EFABHN CC(C)[C@@H](NC(=O)NC1CCN(C2CC2)CC1)c1nc(C2CC2)no1 ZINC000069762500 472421880 /nfs/dbraw/zinc/42/18/80/472421880.db2.gz BZSXUDHXIINEIN-OAHLLOKOSA-N 0 3 347.463 2.570 40 0 EFABHN O=C(Cc1ccccc1F)NCCCN1CCc2ccccc2C1 ZINC000032398918 472428569 /nfs/dbraw/zinc/42/85/69/472428569.db2.gz LQECQEWCAIOWRP-UHFFFAOYSA-N 0 3 326.415 2.933 40 0 EFABHN CN(CCN[C@@H]1CCS(=O)(=O)c2ccccc21)C1CCCCC1 ZINC000097098751 472445450 /nfs/dbraw/zinc/44/54/50/472445450.db2.gz RFEIESOJRRFCSX-QGZVFWFLSA-N 0 3 336.501 2.759 40 0 EFABHN CN(C)Cc1cccc(NS(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC000097103191 472446849 /nfs/dbraw/zinc/44/68/49/472446849.db2.gz RIDHZTNYAJIBOL-UHFFFAOYSA-N 0 3 340.395 2.968 40 0 EFABHN C[C@@H](CN1CCCN(CC(=O)N2CCCC2)CC1)c1ccc(F)cc1 ZINC000097103878 472448293 /nfs/dbraw/zinc/44/82/93/472448293.db2.gz QSERULWIWIYMCK-KRWDZBQOSA-N 0 3 347.478 2.559 40 0 EFABHN Cc1nc([C@H](NC2CCN(C)CC2)c2ccc(Cl)c(F)c2)no1 ZINC000097378242 472495093 /nfs/dbraw/zinc/49/50/93/472495093.db2.gz UGCBBHXFOFAQHL-OAHLLOKOSA-N 0 3 338.814 2.944 40 0 EFABHN CC(C(=O)NC1CCC(C)CC1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000046115429 472515545 /nfs/dbraw/zinc/51/55/45/472515545.db2.gz JFOXLHHNJGHEIC-UYJPIKCFSA-N 0 3 341.448 2.824 40 0 EFABHN Cc1cccc(S(=O)(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000070922041 472523186 /nfs/dbraw/zinc/52/31/86/472523186.db2.gz QBPZZSLLNUUBAH-UHFFFAOYSA-N 0 3 345.468 2.585 40 0 EFABHN CN(C[C@@H]1CCN(C)C1)C(=O)c1ccc(Br)c(F)c1 ZINC000071190462 472545260 /nfs/dbraw/zinc/54/52/60/472545260.db2.gz KHFSWFDYLMPZRV-SNVBAGLBSA-N 0 3 329.213 2.612 40 0 EFABHN CN(C)C[C@H]1CSCCCN1C(=O)CSCc1ccccc1 ZINC000090608892 472642300 /nfs/dbraw/zinc/64/23/00/472642300.db2.gz RFSSFCRZALDXMP-INIZCTEOSA-N 0 3 338.542 2.816 40 0 EFABHN COc1ccccc1[C@@]1(O)CCC[C@H]2CN(Cc3ccnn3C)C[C@H]21 ZINC000072340970 472661790 /nfs/dbraw/zinc/66/17/90/472661790.db2.gz JILHQMTWRIDWPC-CVAIRZPRSA-N 0 3 341.455 2.548 40 0 EFABHN Cn1cc(NC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)cn1 ZINC000156217808 472677856 /nfs/dbraw/zinc/67/78/56/472677856.db2.gz NALKGIBYIXBWKL-SFHVURJKSA-N 0 3 327.432 2.596 40 0 EFABHN COc1ccccc1[C@@H](NC[C@@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000091280563 472751011 /nfs/dbraw/zinc/75/10/11/472751011.db2.gz YWMDSPOCXOKQDJ-KSSFIOAISA-N 0 3 337.485 2.951 40 0 EFABHN COc1ccccc1[C@H](NC[C@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000091280564 472751327 /nfs/dbraw/zinc/75/13/27/472751327.db2.gz YWMDSPOCXOKQDJ-RDTXWAMCSA-N 0 3 337.485 2.951 40 0 EFABHN CC[C@H](NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)C(N)=O ZINC000079029799 472809071 /nfs/dbraw/zinc/80/90/71/472809071.db2.gz NPHGUWLWSFUGKS-AWEZNQCLSA-N 0 3 344.377 2.607 40 0 EFABHN Cc1ccc([C@@H](CNC(=O)CSc2ccncc2)N(C)C)cc1 ZINC000079122090 472823993 /nfs/dbraw/zinc/82/39/93/472823993.db2.gz PMCPLJMRQQLSCE-QGZVFWFLSA-N 0 3 329.469 2.901 40 0 EFABHN COC(=O)c1cccc(NC(=O)NCCN2C[C@H](C)C[C@H](C)C2)c1 ZINC000048326321 472857681 /nfs/dbraw/zinc/85/76/81/472857681.db2.gz ROLXWCJCGWNFIX-OKILXGFUSA-N 0 3 333.432 2.573 40 0 EFABHN CCOC(=O)c1ccc(NC(=O)NCCN2CCC[C@@H](C)C2)cc1 ZINC000048333569 472858981 /nfs/dbraw/zinc/85/89/81/472858981.db2.gz KQJCKDLDEXGKTD-CQSZACIVSA-N 0 3 333.432 2.717 40 0 EFABHN CCOC(=O)c1ccc(NC(=O)NCCN2CCC[C@H](C)C2)cc1 ZINC000048333568 472859011 /nfs/dbraw/zinc/85/90/11/472859011.db2.gz KQJCKDLDEXGKTD-AWEZNQCLSA-N 0 3 333.432 2.717 40 0 EFABHN CC(=O)Nc1cccc([C@H](C)N[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000121714693 472898300 /nfs/dbraw/zinc/89/83/00/472898300.db2.gz MRDYSRGTRDKAFA-NHYWBVRUSA-N 0 3 329.366 2.932 40 0 EFABHN Fc1ccc(CN2CC[C@@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)cc1 ZINC000107226617 472935446 /nfs/dbraw/zinc/93/54/46/472935446.db2.gz FLEVCERPNJKUPS-SJLPKXTDSA-N 0 3 346.381 2.600 40 0 EFABHN Fc1cnc(N[C@H]2CO[C@@]3(C2)CCCN(Cc2ccccc2)C3)nc1 ZINC000107228706 472935658 /nfs/dbraw/zinc/93/56/58/472935658.db2.gz XJWCKTVSHCYCHU-IEBWSBKVSA-N 0 3 342.418 2.851 40 0 EFABHN CC(C)Cn1cc(NC(=O)CC2(N3CCOCC3)CCCC2)cn1 ZINC000074151711 472951983 /nfs/dbraw/zinc/95/19/83/472951983.db2.gz JCZSIQLHRPXACB-UHFFFAOYSA-N 0 3 334.464 2.513 40 0 EFABHN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000134794918 472968449 /nfs/dbraw/zinc/96/84/49/472968449.db2.gz RVAGPGOUJRXOMF-OWLYRPNTSA-N 0 3 349.496 2.704 40 0 EFABHN Cc1ccc(CN2CCC[C@@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)o1 ZINC000107731230 472980152 /nfs/dbraw/zinc/98/01/52/472980152.db2.gz QGHHWOWFABPJQQ-CRAIPNDOSA-N 0 3 346.406 2.753 40 0 EFABHN Cc1ccc(CN2CCC3(CC(NS(=O)(=O)C4CC4)C3)C2)cc1C ZINC000108524843 473034485 /nfs/dbraw/zinc/03/44/85/473034485.db2.gz YMQVFHYYYBMGAP-UHFFFAOYSA-N 0 3 348.512 2.740 40 0 EFABHN Cc1cccc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CCCCO3)C2)n1 ZINC000108530116 473035513 /nfs/dbraw/zinc/03/55/13/473035513.db2.gz INIVVPBLGMPUPM-UYAOXDASSA-N 0 3 343.471 2.936 40 0 EFABHN c1coc(CN2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)c1 ZINC000108527533 473036022 /nfs/dbraw/zinc/03/60/22/473036022.db2.gz ANRUMQLGRPMGTB-HNNXBMFYSA-N 0 3 328.416 2.695 40 0 EFABHN Cc1cccc(CN2CC[C@]3(CCC[C@H]3C(=O)N3CCCCO3)C2)n1 ZINC000108530113 473036409 /nfs/dbraw/zinc/03/64/09/473036409.db2.gz INIVVPBLGMPUPM-AZUAARDMSA-N 0 3 343.471 2.936 40 0 EFABHN CN(C)C(=O)N[C@H]1CCOC2(CCN(Cc3ccsc3)CC2)C1 ZINC000108533649 473036779 /nfs/dbraw/zinc/03/67/79/473036779.db2.gz BOKAYVYFLNDCQM-HNNXBMFYSA-N 0 3 337.489 2.533 40 0 EFABHN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1C[C@H](C)C[C@@H](C)C1 ZINC000108929068 473067355 /nfs/dbraw/zinc/06/73/55/473067355.db2.gz YRSCEPYBHFNSHI-BRWVUGGUSA-N 0 3 345.487 2.828 40 0 EFABHN CN1CCC(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000074920960 473094077 /nfs/dbraw/zinc/09/40/77/473094077.db2.gz KDTWYFZGTQTDJM-VMPITWQZSA-N 0 3 341.499 2.576 40 0 EFABHN CC[C@H](N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[C@H]1CCCO1 ZINC000110704579 473172563 /nfs/dbraw/zinc/17/25/63/473172563.db2.gz WMRGCRJMFHHSRZ-BYCMXARLSA-N 0 3 329.437 2.837 40 0 EFABHN CC(C)[C@H](C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)N(C)C ZINC000096417207 473396394 /nfs/dbraw/zinc/39/63/94/473396394.db2.gz KCWPNBDYENQVDR-WMLDXEAASA-N 0 3 337.439 2.941 40 0 EFABHN CCC(CC)c1cc(C(=O)N2CCCN(C3CCOCC3)CC2)on1 ZINC000096423767 473402641 /nfs/dbraw/zinc/40/26/41/473402641.db2.gz NPACYKGGGNDBPI-UHFFFAOYSA-N 0 3 349.475 2.905 40 0 EFABHN CC(C)CC(=O)Nc1ccc(C(=O)NC2CCN(C)CC2)cc1F ZINC000096427043 473406146 /nfs/dbraw/zinc/40/61/46/473406146.db2.gz QPXRLWCIMUQCIU-UHFFFAOYSA-N 0 3 335.423 2.634 40 0 EFABHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccn(C)n1 ZINC000096434407 473413172 /nfs/dbraw/zinc/41/31/72/473413172.db2.gz YLCJVIQVFQURFE-QGZVFWFLSA-N 0 3 341.459 2.796 40 0 EFABHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000096434836 473414249 /nfs/dbraw/zinc/41/42/49/473414249.db2.gz FDEFCIJSSJLEBP-AWEZNQCLSA-N 0 3 327.432 2.882 40 0 EFABHN CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H](O)c1ccco1 ZINC000096436073 473415807 /nfs/dbraw/zinc/41/58/07/473415807.db2.gz DCZPKESLTDWGOK-CQSZACIVSA-N 0 3 328.368 2.551 40 0 EFABHN CN(C)CCSc1ccc(NC(=O)c2nccn3ccnc23)cc1 ZINC000096436531 473416113 /nfs/dbraw/zinc/41/61/13/473416113.db2.gz XUSOUFFHHNQBEJ-UHFFFAOYSA-N 0 3 341.440 2.635 40 0 EFABHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(C)n(C)n1 ZINC000096441184 473420044 /nfs/dbraw/zinc/42/00/44/473420044.db2.gz MRBMGOBDIHEPAC-SFHVURJKSA-N 0 3 340.471 2.713 40 0 EFABHN FC(F)(F)c1cccc(N2CCC(CN3CCOCC3)CC2)n1 ZINC000096453506 473429537 /nfs/dbraw/zinc/42/95/37/473429537.db2.gz BLFWBFAYSQRARA-UHFFFAOYSA-N 0 3 329.366 2.649 40 0 EFABHN COc1ccccc1NC(=O)C[C@@H](C)NC[C@@](C)(O)c1cccs1 ZINC000096478132 473439836 /nfs/dbraw/zinc/43/98/36/473439836.db2.gz FTCFBYACFAOOQJ-FZKQIMNGSA-N 0 3 348.468 2.971 40 0 EFABHN CC[C@H](N[C@@H](C)c1ccc(-n2cnnn2)cc1)c1c(C)nn(C)c1C ZINC000096478756 473441184 /nfs/dbraw/zinc/44/11/84/473441184.db2.gz MRWPCYJNPIGPPW-SJCJKPOMSA-N 0 3 339.447 2.815 40 0 EFABHN CN(C)c1ccc(CNc2ccc(OC3CCN(C)CC3)nc2)cn1 ZINC000096484937 473443269 /nfs/dbraw/zinc/44/32/69/473443269.db2.gz JOBGHPWAEGMYOA-UHFFFAOYSA-N 0 3 341.459 2.628 40 0 EFABHN NC(=O)[C@H]1CCC[C@H](NCc2cc(F)ccc2Br)C1 ZINC000096485570 473444117 /nfs/dbraw/zinc/44/41/17/473444117.db2.gz SYAVMTSBIDGSMN-CABZTGNLSA-N 0 3 329.213 2.722 40 0 EFABHN Cc1csc(=O)n1CCN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000096491311 473447579 /nfs/dbraw/zinc/44/75/79/473447579.db2.gz YXYBQAXCEYRCNN-CQSZACIVSA-N 0 3 345.468 2.696 40 0 EFABHN C[C@H](CN[C@@H](CO)c1cnn(C)c1)c1cccc(Br)c1 ZINC000096493845 473449587 /nfs/dbraw/zinc/44/95/87/473449587.db2.gz ZQKWLJGPAFCJPM-ABAIWWIYSA-N 0 3 338.249 2.609 40 0 EFABHN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)CN1C1CC1 ZINC000096494730 473450716 /nfs/dbraw/zinc/45/07/16/473450716.db2.gz OJWDBIMJXXMDKB-ZYHUDNBSSA-N 0 3 341.377 2.871 40 0 EFABHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccc(F)c(CO)c2)C1 ZINC000096499639 473451276 /nfs/dbraw/zinc/45/12/76/473451276.db2.gz JANHCCYWAMODCC-OAHLLOKOSA-N 0 3 338.423 2.807 40 0 EFABHN C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000096500863 473453222 /nfs/dbraw/zinc/45/32/22/473453222.db2.gz CPOZXWSTQPAXDA-ATZDWAIDSA-N 0 3 345.487 2.631 40 0 EFABHN CSc1ccc(CNC(=O)[C@H]2CCCN2C2CCOCC2)cc1 ZINC000191052467 473466520 /nfs/dbraw/zinc/46/65/20/473466520.db2.gz XVASMMKSIUZZBM-QGZVFWFLSA-N 0 3 334.485 2.668 40 0 EFABHN C[C@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C[C@@H]1O ZINC000165706479 473513736 /nfs/dbraw/zinc/51/37/36/473513736.db2.gz OWHOHVDBHFCILX-WMZOPIPTSA-N 0 3 330.472 2.518 40 0 EFABHN CN(C(=O)Nc1ccc(OCCN2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000127373010 473604916 /nfs/dbraw/zinc/60/49/16/473604916.db2.gz IPXKUYSWPCGBSW-QGZVFWFLSA-N 0 3 347.459 2.804 40 0 EFABHN CC(C)[C@H](NC1CC(c2ccccc2F)C1)C(=O)N1CCOCC1 ZINC000127806850 473652602 /nfs/dbraw/zinc/65/26/02/473652602.db2.gz DAIWINBXEDQPJP-JMLCCBQJSA-N 0 3 334.435 2.545 40 0 EFABHN COC(=O)C1CCC(Nc2ccccc2CN2CCC(O)CC2)CC1 ZINC000192446708 473680805 /nfs/dbraw/zinc/68/08/05/473680805.db2.gz JERDANXTCWXQGO-UHFFFAOYSA-N 0 3 346.471 2.787 40 0 EFABHN Cc1ccc(C(=O)N2CCC(N[C@H](C)c3ccnn3C)CC2)cc1 ZINC000192809973 473728893 /nfs/dbraw/zinc/72/88/93/473728893.db2.gz BPBPORJWUOTUDK-OAHLLOKOSA-N 0 3 326.444 2.684 40 0 EFABHN CNc1cc(N2CCC[C@@H]2CN[C@@H](C)c2cccc(O)c2)ncn1 ZINC000194921552 473975796 /nfs/dbraw/zinc/97/57/96/473975796.db2.gz VVFGZQLJTZRXHY-DZGCQCFKSA-N 0 3 327.432 2.544 40 0 EFABHN Cc1ncsc1CN(C)C[C@@H]1CCN([C@@H](C)c2cnccn2)C1 ZINC000195248706 474038547 /nfs/dbraw/zinc/03/85/47/474038547.db2.gz WBYZORUJUFCYPI-GJZGRUSLSA-N 0 3 331.489 2.756 40 0 EFABHN CC(C)Oc1ccc2c(c1)[C@H](N[C@H](C)CS(C)(=O)=O)CCC2 ZINC000195549903 474092957 /nfs/dbraw/zinc/09/29/57/474092957.db2.gz KWWVLAYYQJACGR-CXAGYDPISA-N 0 3 325.474 2.874 40 0 EFABHN C[C@H](c1ccccc1)n1ccc(NC(=O)C[C@H]2CSCCN2)n1 ZINC000195544108 474093138 /nfs/dbraw/zinc/09/31/38/474093138.db2.gz KGYYQIWCBVXLQE-HIFRSBDPSA-N 0 3 330.457 2.526 40 0 EFABHN CC[C@@H](CN[C@@H]1CCCS(=O)(=O)C1)Oc1ccccc1Cl ZINC000195549843 474093543 /nfs/dbraw/zinc/09/35/43/474093543.db2.gz HJKMKTIOPNQAAW-OLZOCXBDSA-N 0 3 331.865 2.664 40 0 EFABHN Cc1cc(Cl)c([C@H](C)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC000195557739 474095596 /nfs/dbraw/zinc/09/55/96/474095596.db2.gz NGVMIYHETPZGRM-KBPBESRZSA-N 0 3 344.908 2.889 40 0 EFABHN Cc1cc(Cl)c([C@@H](C)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC000195557738 474096144 /nfs/dbraw/zinc/09/61/44/474096144.db2.gz NGVMIYHETPZGRM-KGLIPLIRSA-N 0 3 344.908 2.889 40 0 EFABHN CN(C)[C@H](CN[C@@H]1CCCOc2cc(F)ccc21)c1cnn(C)c1 ZINC000182086537 474097467 /nfs/dbraw/zinc/09/74/67/474097467.db2.gz KHDXRSRINFFEAL-IAGOWNOFSA-N 0 3 332.423 2.665 40 0 EFABHN NC(=O)c1cccc(CCN[C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000182130619 474104423 /nfs/dbraw/zinc/10/44/23/474104423.db2.gz BDJKYHUVEAFNKG-QGZVFWFLSA-N 0 3 328.387 2.971 40 0 EFABHN COc1ccc(C(=O)N2CCN(C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000222218410 474166061 /nfs/dbraw/zinc/16/60/61/474166061.db2.gz ZWUFFHHUFFLOMC-JQHSSLGASA-N 0 3 326.440 2.665 40 0 EFABHN Cc1cc(N2CCNCC2)nc(-c2ccc(Br)cc2)n1 ZINC000225321289 474207150 /nfs/dbraw/zinc/20/71/50/474207150.db2.gz FUFIHTHVVGBEPC-UHFFFAOYSA-N 0 3 333.233 2.624 40 0 EFABHN CNCC(=O)N[C@@H](c1ccccc1Cl)c1ccc(OC)cc1OC ZINC000225473348 474214828 /nfs/dbraw/zinc/21/48/28/474214828.db2.gz WTSOBKWCZQVITQ-SFHVURJKSA-N 0 3 348.830 2.782 40 0 EFABHN O=C(C[C@H]1CNCCO1)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000225489131 474218323 /nfs/dbraw/zinc/21/83/23/474218323.db2.gz QKNPOPWZXLKKGV-QFBILLFUSA-N 0 3 342.414 2.604 40 0 EFABHN CNCC(=O)N[C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000225488174 474218583 /nfs/dbraw/zinc/21/85/83/474218583.db2.gz GHNPTJGEEYQVHC-ZDUSSCGKSA-N 0 3 331.441 2.532 40 0 EFABHN O=C(C[C@H]1CNCCO1)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000225489161 474218667 /nfs/dbraw/zinc/21/86/67/474218667.db2.gz QKNPOPWZXLKKGV-LPHOPBHVSA-N 0 3 342.414 2.604 40 0 EFABHN C[C@H](C1CC1)n1cc(NC(=O)N2CCC(N3CC=CC3)CC2)cn1 ZINC000188886281 474224784 /nfs/dbraw/zinc/22/47/84/474224784.db2.gz QDIKAWMJFVIPIN-CQSZACIVSA-N 0 3 329.448 2.722 40 0 EFABHN CSC1(C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)CC1 ZINC000225611807 474231131 /nfs/dbraw/zinc/23/11/31/474231131.db2.gz NXMCEZDVLKNYBW-UHFFFAOYSA-N 0 3 334.485 2.650 40 0 EFABHN O=C1CC[C@@H]2[C@@H](CCN2Cc2cccs2)N1Cc1ccncc1 ZINC000248009402 474244973 /nfs/dbraw/zinc/24/49/73/474244973.db2.gz VACUGAAEJKRQMW-IAGOWNOFSA-N 0 3 327.453 2.909 40 0 EFABHN COc1ccccc1[C@]1(O)CCC[C@@H]2CN(Cc3ccnn3C)C[C@H]21 ZINC000248025234 474247228 /nfs/dbraw/zinc/24/72/28/474247228.db2.gz JILHQMTWRIDWPC-XFQXTVEOSA-N 0 3 341.455 2.548 40 0 EFABHN O=C([N-]C1CC[NH+](CCc2ccccc2)CC1)C(F)(F)C(F)F ZINC000175972140 474352421 /nfs/dbraw/zinc/35/24/21/474352421.db2.gz DBSCDFYKMSUFLE-UHFFFAOYSA-N 0 3 332.341 2.710 40 0 EFABHN CNCC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000237298229 474377886 /nfs/dbraw/zinc/37/78/86/474377886.db2.gz BXCLPIHRIRGDNP-UHFFFAOYSA-N 0 3 336.189 2.794 40 0 EFABHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1C[C@H]2CCC[C@@H]2C1 ZINC000248711255 474411350 /nfs/dbraw/zinc/41/13/50/474411350.db2.gz COWPMABXBYXKIK-IPMKNSEASA-N 0 3 327.472 2.950 40 0 EFABHN COC[C@@H](NC(=O)N1CCN2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000248734249 474418204 /nfs/dbraw/zinc/41/82/04/474418204.db2.gz NAKSYSRMAGIPPI-JKSUJKDBSA-N 0 3 337.851 2.517 40 0 EFABHN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000248745388 474423162 /nfs/dbraw/zinc/42/31/62/474423162.db2.gz RVAGPGOUJRXOMF-HPBDAGMYSA-N 0 3 349.496 2.704 40 0 EFABHN Cn1cc(-c2cc(CN3CCC[C@H]3C[C@@H](O)c3ccco3)on2)cn1 ZINC000249001109 474502805 /nfs/dbraw/zinc/50/28/05/474502805.db2.gz MZIYYOPIOIVPCF-WMLDXEAASA-N 0 3 342.399 2.756 40 0 EFABHN CC(C)n1ccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)n1 ZINC000240668136 474551837 /nfs/dbraw/zinc/55/18/37/474551837.db2.gz HMNAFLTZOORVEG-UHFFFAOYSA-N 0 3 330.432 2.794 40 0 EFABHN Cn1ccc(CNC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000240894826 474551985 /nfs/dbraw/zinc/55/19/85/474551985.db2.gz IQFDQTQVCUKZAR-DYVFJYSZSA-N 0 3 336.842 2.995 40 0 EFABHN COC(=O)c1ccc(CNC(=O)CN2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000245265753 474572608 /nfs/dbraw/zinc/57/26/08/474572608.db2.gz HRPBXLQVYZVWKH-AEFFLSMTSA-N 0 3 344.455 2.602 40 0 EFABHN CC(C)[C@H](C)NC(=O)C1CCN([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000245289810 474573756 /nfs/dbraw/zinc/57/37/56/474573756.db2.gz FGSWXICBKPVXMT-GDIGMMSISA-N 0 3 330.472 2.517 40 0 EFABHN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)/C=C/c1cccnc1 ZINC000245339074 474574963 /nfs/dbraw/zinc/57/49/63/474574963.db2.gz QHPXNKXRGHIMAE-XANICSHESA-N 0 3 336.439 2.517 40 0 EFABHN O=C(C[C@@H]1CNCCO1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000252499943 474681713 /nfs/dbraw/zinc/68/17/13/474681713.db2.gz SJQFFYYMHMIOBV-GOSISDBHSA-N 0 3 344.386 2.613 40 0 EFABHN COC[C@@H]1CCN(C)C2(CN(Cc3ccc4ccccc4n3)C2)C1 ZINC000306127867 474806829 /nfs/dbraw/zinc/80/68/29/474806829.db2.gz GJNUMUMHJUZHRV-MRXNPFEDSA-N 0 3 325.456 2.777 40 0 EFABHN Cc1ccc(CN2CC[C@H](F)[C@@]3(CCN(Cc4cnn(C)c4)C3)C2)o1 ZINC000306135413 474809218 /nfs/dbraw/zinc/80/92/18/474809218.db2.gz OQAPZIMNYAKCNM-OALUTQOASA-N 0 3 346.450 2.758 40 0 EFABHN Cc1ccc(C)c(CN2C[C@H]3OC[C@H](CNC(=O)CC4CC4)[C@H]3C2)c1 ZINC000306135115 474809881 /nfs/dbraw/zinc/80/98/81/474809881.db2.gz OIGIICYRKHRWGT-XUVXKRRUSA-N 0 3 342.483 2.667 40 0 EFABHN Cc1ccsc1CN1C[C@H]2OC[C@H](CNC(=O)c3ccco3)[C@H]2C1 ZINC000306144021 474811545 /nfs/dbraw/zinc/81/15/45/474811545.db2.gz YTRBCRPFFBXICA-SQWLQELKSA-N 0 3 346.452 2.526 40 0 EFABHN Cn1cccc1C(=O)N1CCC[C@H]1c1ccnc(CN2CCCC2)c1 ZINC000257279084 474926543 /nfs/dbraw/zinc/92/65/43/474926543.db2.gz OEYPCHDMKQSEFJ-SFHVURJKSA-N 0 3 338.455 2.993 40 0 EFABHN CC(C)N1CCC[C@H]1c1cncc(N2CC3(CCOCC3)OC2=O)n1 ZINC000257269923 474927998 /nfs/dbraw/zinc/92/79/98/474927998.db2.gz MRZIUOULQPZQQY-HNNXBMFYSA-N 0 3 346.431 2.528 40 0 EFABHN Cn1cc(C(=O)N2CCCC[C@H]3[C@@H]2[C@H](c2ccccc2)CN3C)cn1 ZINC000257236586 474928310 /nfs/dbraw/zinc/92/83/10/474928310.db2.gz HCWDWHVYKBAVFQ-FHWLQOOXSA-N 0 3 338.455 2.513 40 0 EFABHN CN(C)Cc1ccc(C(=O)N2CCC[C@@H](Cc3cc[nH]n3)C2)cc1 ZINC000257282357 474930140 /nfs/dbraw/zinc/93/01/40/474930140.db2.gz OTKYTNRKVLHBEW-INIZCTEOSA-N 0 3 326.444 2.566 40 0 EFABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NC[C@H]2CCCO2)c1 ZINC000257285953 474932680 /nfs/dbraw/zinc/93/26/80/474932680.db2.gz PJNMQJOYLAMLMU-QGZVFWFLSA-N 0 3 339.439 2.719 40 0 EFABHN c1c[nH]c(-c2cc(C[C@@H]3CCCN(Cc4cccnc4)C3)ncn2)n1 ZINC000257292073 474937006 /nfs/dbraw/zinc/93/70/06/474937006.db2.gz QJWMOYKQCSUPSS-HNNXBMFYSA-N 0 3 334.427 2.716 40 0 EFABHN Cc1c[nH]c(-c2cncc([C@H]3CCCN(Cc4cccnc4)C3)n2)n1 ZINC000257296800 474938618 /nfs/dbraw/zinc/93/86/18/474938618.db2.gz RELVKPPAVWKCKC-INIZCTEOSA-N 0 3 334.427 2.950 40 0 EFABHN COCCN1CCC[C@@H](c2nccnc2-c2cnn(C(C)C)c2)C1 ZINC000257300263 474940357 /nfs/dbraw/zinc/94/03/57/474940357.db2.gz RTRBEEPKGQOSOK-OAHLLOKOSA-N 0 3 329.448 2.747 40 0 EFABHN Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)COc3ccccc3)C2)n1 ZINC000257309261 474945369 /nfs/dbraw/zinc/94/53/69/474945369.db2.gz UAGJMUSDSOHPBG-INIZCTEOSA-N 0 3 339.439 2.851 40 0 EFABHN CC(C)N(Cc1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000257308699 474945723 /nfs/dbraw/zinc/94/57/23/474945723.db2.gz TXTIUAFZFSIYCJ-IAGOWNOFSA-N 0 3 334.460 2.877 40 0 EFABHN CN(CCC(=O)N1CCC[C@@H](c2nccs2)C1)Cc1cccnc1 ZINC000257323281 474952741 /nfs/dbraw/zinc/95/27/41/474952741.db2.gz WJMIKVOOGZUDCY-MRXNPFEDSA-N 0 3 344.484 2.766 40 0 EFABHN CN1CCC(Cc2ccccc2)(C(=O)NC[C@@]2(C)CCCO2)CC1 ZINC000257322544 474953049 /nfs/dbraw/zinc/95/30/49/474953049.db2.gz WGKACZNLGVCUEH-LJQANCHMSA-N 0 3 330.472 2.626 40 0 EFABHN Cc1nn(C)c2nc([C@H]3CCCN(Cc4ccnc(C)n4)C3)ccc12 ZINC000257326536 474956261 /nfs/dbraw/zinc/95/62/61/474956261.db2.gz WXOSVRMLWTVUOO-HNNXBMFYSA-N 0 3 336.443 2.755 40 0 EFABHN CNC(=O)CCc1cc(C)nc([C@H]2CCCN2C2CCCCC2)n1 ZINC000257333230 474959374 /nfs/dbraw/zinc/95/93/74/474959374.db2.gz YASVVIHDRVXMNH-QGZVFWFLSA-N 0 3 330.476 2.933 40 0 EFABHN Cc1nc(-c2nccn2C)cc(C2CCN(Cc3ccccn3)CC2)n1 ZINC000257338249 474963406 /nfs/dbraw/zinc/96/34/06/474963406.db2.gz YWPPMKIEKVJYKJ-UHFFFAOYSA-N 0 3 348.454 2.960 40 0 EFABHN COc1ccccc1CN1CCC2(CC(N(C)c3ccncn3)C2)C1 ZINC000257340944 474964000 /nfs/dbraw/zinc/96/40/00/474964000.db2.gz ZIFUHIJKRJKXQI-UHFFFAOYSA-N 0 3 338.455 2.976 40 0 EFABHN CN1C(=O)c2ccccc2O[C@H]2CN(CCCc3ccccc3)C[C@H]21 ZINC000514290359 479023151 /nfs/dbraw/zinc/02/31/51/479023151.db2.gz YONJVGQGYOSNAQ-QUCCMNQESA-N 0 3 336.435 2.837 40 0 biogenic,in-vitro EFABHN CCOCc1nnc2n1CCN(Cc1cccc3[nH]ccc31)[C@H](C)C2 ZINC000585097116 479280898 /nfs/dbraw/zinc/28/08/98/479280898.db2.gz FWJUPKYYTLYILF-CQSZACIVSA-N 0 3 339.443 2.743 40 0 EFABHN CC[N@H+](C)C[C@@H]1CC2(CO1)CCN(C(=O)c1cc(C)ccc1[O-])CC2 ZINC000585103003 479283953 /nfs/dbraw/zinc/28/39/53/479283953.db2.gz BAJJCAHTEODVBK-INIZCTEOSA-N 0 3 346.471 2.664 40 0 EFABHN CC[N@@H+](C)C[C@@H]1CC2(CO1)CCN(C(=O)c1cc(C)ccc1[O-])CC2 ZINC000585103003 479283961 /nfs/dbraw/zinc/28/39/61/479283961.db2.gz BAJJCAHTEODVBK-INIZCTEOSA-N 0 3 346.471 2.664 40 0 EFABHN CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CCN(Cc1ccco1)CC2 ZINC000585102893 479284584 /nfs/dbraw/zinc/28/45/84/479284584.db2.gz GXSKOENCNDAAQG-SFHVURJKSA-N 0 3 346.471 2.767 40 0 EFABHN Cc1cc(CN2CCC3(CC(NC(=O)OCC(C)C)C3)CC2)[nH]n1 ZINC000585102920 479284988 /nfs/dbraw/zinc/28/49/88/479284988.db2.gz ILHHJKWCLNZYEW-UHFFFAOYSA-N 0 3 334.464 2.845 40 0 EFABHN Cc1cc(CN2CCC3(CC(NC(=O)OCC(C)C)C3)CC2)n[nH]1 ZINC000585102920 479284994 /nfs/dbraw/zinc/28/49/94/479284994.db2.gz ILHHJKWCLNZYEW-UHFFFAOYSA-N 0 3 334.464 2.845 40 0 EFABHN Cc1cccc(CO[C@@H]2CSC3(CN(C4CCOCC4)C3)C2)n1 ZINC000585105384 479286362 /nfs/dbraw/zinc/28/63/62/479286362.db2.gz VSRPGIDSGVVDPN-KRWDZBQOSA-N 0 3 334.485 2.646 40 0 EFABHN CC(C)S(=O)(=O)N1CC[C@@H]2[C@@H](CN2C[C@@H](C)c2ccccc2)C1 ZINC000585107977 479287382 /nfs/dbraw/zinc/28/73/82/479287382.db2.gz PQIXQZHXEFKYGD-BPQIPLTHSA-N 0 3 336.501 2.534 40 0 EFABHN CN(Cc1ccc(OCCF)cc1)C[C@@H](O)COc1ccccc1 ZINC000585270302 479303425 /nfs/dbraw/zinc/30/34/25/479303425.db2.gz TZOQMHRKVDTDIY-QGZVFWFLSA-N 0 3 333.403 2.907 40 0 EFABHN c1nc([N-]c2cncc(C[C@H]3CC[NH2+]C3)n2)sc1-c1ccccc1 ZINC000585262934 479304026 /nfs/dbraw/zinc/30/40/26/479304026.db2.gz FFUGZDKVLJHQRL-CYBMUJFWSA-N 0 3 337.452 3.496 40 0 EFABHN CO[C@H]1CCCN(Cc2ccc(C)nc2)[C@H]1CCC(=O)N1CCCC1 ZINC000585269361 479304149 /nfs/dbraw/zinc/30/41/49/479304149.db2.gz QJHBYAVSDSDCPM-OALUTQOASA-N 0 3 345.487 2.772 40 0 EFABHN CO[C@@]1(COc2ccc(F)cc2)CCN(Cc2c(C)n[nH]c2C)C1 ZINC000585275910 479306417 /nfs/dbraw/zinc/30/64/17/479306417.db2.gz GNIFHJCDTIXCIC-SFHVURJKSA-N 0 3 333.407 2.836 40 0 EFABHN O[C@]1(COc2ccc(F)cc2)COCCN(CC2CCCCC2)C1 ZINC000585278117 479307575 /nfs/dbraw/zinc/30/75/75/479307575.db2.gz ZTHWUOSASOCELS-IBGZPJMESA-N 0 3 337.435 2.848 40 0 EFABHN O[C@@]1(COc2ccc(Cl)cc2)COCCN(C2CCCC2)C1 ZINC000585281712 479308387 /nfs/dbraw/zinc/30/83/87/479308387.db2.gz PXLYQPGBIIFAGK-QGZVFWFLSA-N 0 3 325.836 2.725 40 0 EFABHN Cn1cncc1CNC[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585286978 479310051 /nfs/dbraw/zinc/31/00/51/479310051.db2.gz PUXMLHYSSYNNBA-FSPWUOQZSA-N 0 3 349.862 2.772 40 0 EFABHN Cc1cnccc1CN1CCC[C@]12CC(C)(C)O[C@H]2CC(=O)N(C)C ZINC000585290565 479310504 /nfs/dbraw/zinc/31/05/04/479310504.db2.gz FKWFFQZXAJLYTR-FXAWDEMLSA-N 0 3 345.487 2.770 40 0 EFABHN CO[C@@H]1CN(C(=O)/C=C/CN(C)C)CC[C@@H]1Cc1ccc(C)cc1 ZINC000585290057 479310544 /nfs/dbraw/zinc/31/05/44/479310544.db2.gz QVJVNGHRETZAFB-ASIGSXEYSA-N 0 3 330.472 2.519 40 0 EFABHN Cc1ccccc1[C@H]1CN(Cc2ccccc2Cl)[C@H](CO)[C@@H]1O ZINC000585293818 479310598 /nfs/dbraw/zinc/31/05/98/479310598.db2.gz AQDFDLOIFHJLHW-BHIYHBOVSA-N 0 3 331.843 2.970 40 0 EFABHN OCCN(Cc1ccccc1)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585289580 479310800 /nfs/dbraw/zinc/31/08/00/479310800.db2.gz RVFUQJMOVGOAAS-PWRODBHTSA-N 0 3 341.451 2.842 40 0 EFABHN C[C@@H]1CN(C(=O)NC2CCN(CCc3ccccc3)CC2)CCCO1 ZINC000171301786 534309196 /nfs/dbraw/zinc/30/91/96/534309196.db2.gz VXYDMKBZPKRSCB-QGZVFWFLSA-N 0 3 345.487 2.514 40 0 EFABHN Fc1ccc(CN2CCC[C@H]2Cn2nnc(-c3ccccn3)n2)cc1 ZINC000012142295 526332948 /nfs/dbraw/zinc/33/29/48/526332948.db2.gz JWBARSYVGIUVHM-INIZCTEOSA-N 0 3 338.390 2.539 40 0 EFABHN COCCCNC(=O)c1ncccc1-c1cccc(CN(C)C)c1 ZINC000257339620 536587764 /nfs/dbraw/zinc/58/77/64/536587764.db2.gz ZCNFWRPSBKRPNV-UHFFFAOYSA-N 0 3 327.428 2.577 40 0 EFABHN CNC(=O)c1ccn([C@H]2CCCN(Cc3ccccc3C3CC3)C2)n1 ZINC000584908790 564133943 /nfs/dbraw/zinc/13/39/43/564133943.db2.gz HKJKVAJBHYEEJV-KRWDZBQOSA-N 0 3 338.455 2.957 40 0 EFABHN C=Cn1cc(CN[C@@H](C)[C@@H](O)c2ccc(Br)cc2)cn1 ZINC000225583085 564149826 /nfs/dbraw/zinc/14/98/26/564149826.db2.gz OBHPLWKJRSLCDZ-XHDPSFHLSA-N 0 3 336.233 2.958 40 0 EFABHN COc1ccc(CNC(=O)C2CCN(C[C@H]3CCC=CO3)CC2)cc1 ZINC000225579692 568423118 /nfs/dbraw/zinc/42/31/18/568423118.db2.gz FMPHGCZAHOJOAB-LJQANCHMSA-N 0 3 344.455 2.716 40 0 EFABHN COC(=O)[C@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1 ZINC000146230952 1296574566 /nfs/dbraw/zinc/57/45/66/1296574566.db2.gz FPLKLNINPXCYAO-HXUWFJFHSA-N 0 3 338.451 2.936 40 0 EFABHN CC(C)(C)c1ccc(=O)n(CN2CCN(CC3CCCCC3)CC2)n1 ZINC000066793225 215079564 /nfs/dbraw/zinc/07/95/64/215079564.db2.gz AHCANPSRTOOHCM-UHFFFAOYSA-N 0 3 346.519 2.696 40 0 EFABHN COc1ccccc1CN1C[C@H]2CCC[C@@H](C1)C2(O)c1nccn1C ZINC000019291411 202002750 /nfs/dbraw/zinc/00/27/50/202002750.db2.gz ZVCNAGBJLHKQED-XEWABKELSA-N 0 3 341.455 2.548 40 0 EFABHN Cc1nccn1CC1(O)CCN(Cc2cn(C)c3ccccc23)CC1 ZINC000019288018 202003478 /nfs/dbraw/zinc/00/34/78/202003478.db2.gz RBZVJPHMNZVLSY-UHFFFAOYSA-N 0 3 338.455 2.710 40 0 EFABHN c1ccc(CCN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 ZINC000019371248 202005425 /nfs/dbraw/zinc/00/54/25/202005425.db2.gz KVMRWGUUMRPNLE-UHFFFAOYSA-N 0 3 335.411 2.949 40 0 EFABHN O[C@@H]1C[C@H]2CN(Cc3cccs3)[C@@H](Cc3ccccc3)CN2C1 ZINC000019372795 202005964 /nfs/dbraw/zinc/00/59/64/202005964.db2.gz FRXOEIOGMWMNCF-OKZBNKHCSA-N 0 3 328.481 2.610 40 0 EFABHN CCCn1nc(C)c(CN(CCN(C)C)Cc2ccccn2)c1C ZINC000019525838 202010031 /nfs/dbraw/zinc/01/00/31/202010031.db2.gz GNXBIOYSQXFVPW-UHFFFAOYSA-N 0 3 329.492 2.869 40 0 EFABHN COc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C)c(C)c(=O)[n-]3)C2)c1 ZINC000019555390 202011202 /nfs/dbraw/zinc/01/12/02/202011202.db2.gz YZOYXAIZQVCKSL-MRXNPFEDSA-N 0 3 327.428 2.775 40 0 EFABHN COc1cccc(C[N@H+]2CCC[C@@H](c3nc(C)c(C)c(=O)[n-]3)C2)c1 ZINC000019555390 202011206 /nfs/dbraw/zinc/01/12/06/202011206.db2.gz YZOYXAIZQVCKSL-MRXNPFEDSA-N 0 3 327.428 2.775 40 0 EFABHN COc1cc(C)c(CN(CCN(C)C)Cc2ccccn2)cc1OC ZINC000019567011 202011258 /nfs/dbraw/zinc/01/12/58/202011258.db2.gz WQTVZNOCOJRGKR-UHFFFAOYSA-N 0 3 343.471 2.971 40 0 EFABHN CN(C)C[C@@H]1CCCCN1C(=O)CCc1nc(-c2cccs2)no1 ZINC000019581934 202012836 /nfs/dbraw/zinc/01/28/36/202012836.db2.gz AHMIVHPIAUIGEX-ZDUSSCGKSA-N 0 3 348.472 2.673 40 0 EFABHN COc1ccc(CN(CCN(C)C)Cc2ccncc2)c(OC)c1 ZINC000019582714 202013586 /nfs/dbraw/zinc/01/35/86/202013586.db2.gz XFHJMEAJUWUTKJ-UHFFFAOYSA-N 0 3 329.444 2.663 40 0 EFABHN CC(C)(CNC(=O)c1ccnc(N2CCCC2)c1)N1CCCCC1 ZINC000019717654 202016416 /nfs/dbraw/zinc/01/64/16/202016416.db2.gz IVTSEZVQCAITOK-UHFFFAOYSA-N 0 3 330.476 2.676 40 0 EFABHN Cc1ccc(Cl)cc1-n1ncc2c1ncnc2NCCN(C)C ZINC000020661975 202052829 /nfs/dbraw/zinc/05/28/29/202052829.db2.gz HGCPEHQHRNQTKT-UHFFFAOYSA-N 0 3 330.823 2.751 40 0 EFABHN CCOC(=O)c1sc(N2CCNCC2)nc1CCC1CCCC1 ZINC000021986865 202076784 /nfs/dbraw/zinc/07/67/84/202076784.db2.gz NQMFWNCNPSQBQV-UHFFFAOYSA-N 0 3 337.489 2.852 40 0 EFABHN CCN1CCC[C@@H]1CNCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000022029797 202077687 /nfs/dbraw/zinc/07/76/87/202077687.db2.gz VHZCEHVYTHWFHP-CYBMUJFWSA-N 0 3 345.365 2.598 40 0 EFABHN CC(C)(CNC(=O)CCc1nc2ccccc2[nH]1)N1CCCCC1 ZINC000022622611 202088980 /nfs/dbraw/zinc/08/89/80/202088980.db2.gz BUAAVXYHTWURSZ-UHFFFAOYSA-N 0 3 328.460 2.876 40 0 EFABHN CN(Cc1ccc2c(c1)OCO2)C[C@@H](O)COCc1ccccc1F ZINC000025368718 202129477 /nfs/dbraw/zinc/12/94/77/202129477.db2.gz HJGYNJXFGSIDCR-MRXNPFEDSA-N 0 3 347.386 2.564 40 0 EFABHN O=C(NCc1ccco1)c1cccc(CN2CCCC[C@H]2CCO)c1 ZINC000069249934 202274136 /nfs/dbraw/zinc/27/41/36/202274136.db2.gz CHGCJDRXWZQHCM-SFHVURJKSA-N 0 3 342.439 2.947 40 0 EFABHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Nc1nnc(CC3CCCC3)s1)C2 ZINC000072946053 202368605 /nfs/dbraw/zinc/36/86/05/202368605.db2.gz AZOFXGOONLAGGU-UONOGXRCSA-N 0 3 349.504 2.971 40 0 EFABHN CC(C)(C)/C=C/C(=O)Nc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000074565899 202374081 /nfs/dbraw/zinc/37/40/81/202374081.db2.gz JIKHGUWLHXZFMG-SCOAYWHSSA-N 0 3 343.471 2.925 40 0 EFABHN Clc1cccc([C@H](CNCc2cccnc2)N2CCOCC2)c1 ZINC000078553697 202395779 /nfs/dbraw/zinc/39/57/79/202395779.db2.gz CIWRHUXTIOENBN-SFHVURJKSA-N 0 3 331.847 2.898 40 0 EFABHN c1cn(-c2ccccc2CNCc2c[nH]nc2-c2cccnc2)cn1 ZINC000078612748 202398627 /nfs/dbraw/zinc/39/86/27/202398627.db2.gz JLCTZVKROSBJRO-UHFFFAOYSA-N 0 3 330.395 2.947 40 0 EFABHN CCCN1CCCN(C(=O)Cc2csc(-c3cccnc3)n2)CC1 ZINC000078394545 202390426 /nfs/dbraw/zinc/39/04/26/202390426.db2.gz GQDGJEAAIWZFGP-UHFFFAOYSA-N 0 3 344.484 2.692 40 0 EFABHN Cc1nc(C2CCN(CCc3nc(-c4ccccc4)no3)CC2)no1 ZINC000077274865 202391684 /nfs/dbraw/zinc/39/16/84/202391684.db2.gz YYMLCMNYWALNPT-UHFFFAOYSA-N 0 3 339.399 2.850 40 0 EFABHN C[C@@H]1CN(Cc2ccccc2)CCCN1C[C@H](O)CC(F)(F)F ZINC000189377566 201048368 /nfs/dbraw/zinc/04/83/68/201048368.db2.gz YTHGPEYGYJCQAC-GDBMZVCRSA-N 0 3 330.394 2.896 40 0 EFABHN C[C@H]1CN(Cc2ccccc2)CCCN1C[C@H](O)CC(F)(F)F ZINC000189377588 201048536 /nfs/dbraw/zinc/04/85/36/201048536.db2.gz YTHGPEYGYJCQAC-GOEBONIOSA-N 0 3 330.394 2.896 40 0 EFABHN CN1C[C@@H](C(=O)Nc2nnc(C3CC3)s2)[C@@H](c2ccccc2)C1 ZINC000226751488 201038723 /nfs/dbraw/zinc/03/87/23/201038723.db2.gz XRIYYAKHQNIHSG-ZIAGYGMSSA-N 0 3 328.441 2.699 40 0 EFABHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccnc(F)c1 ZINC000245344209 201152690 /nfs/dbraw/zinc/15/26/90/201152690.db2.gz YCUIMVLIRQESNB-RHSMWYFYSA-N 0 3 327.403 2.861 40 0 EFABHN Cc1nnsc1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000191418806 239100302 /nfs/dbraw/zinc/10/03/02/239100302.db2.gz DGMVRFUSPVNJFC-UHFFFAOYSA-N 0 3 338.864 2.704 40 0 EFABHN C[C@H]1CN(C)CCN1CC1CCN(C(=O)CCC2CCCC2)CC1 ZINC000085468130 202617816 /nfs/dbraw/zinc/61/78/16/202617816.db2.gz VSCLUJBLGNSVCM-KRWDZBQOSA-N 0 3 335.536 2.831 40 0 EFABHN COc1ccc(CNCC2(N3CCOCC3)CCCCC2)cc1O ZINC000022926517 212335636 /nfs/dbraw/zinc/33/56/36/212335636.db2.gz MUXWXVPBCHZZGU-UHFFFAOYSA-N 0 3 334.460 2.526 40 0 EFABHN C[C@@H](NC(=O)C[C@H]1CNCCO1)c1cc(F)c(Cl)cc1Cl ZINC000252499636 240307088 /nfs/dbraw/zinc/30/70/88/240307088.db2.gz SDDHHVVWJBUFNQ-BDAKNGLRSA-N 0 3 335.206 2.688 40 0 EFABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3cccs3)CCO2)n1 ZINC000257339029 240313274 /nfs/dbraw/zinc/31/32/74/240313274.db2.gz YZWZOPBGZVALLH-HNNXBMFYSA-N 0 3 331.441 2.731 40 0 EFABHN CCOC[C@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218037696 241292386 /nfs/dbraw/zinc/29/23/86/241292386.db2.gz LJBXAPWNYOTERF-CEXWTWQISA-N 0 3 345.464 2.608 40 0 EFABHN Cc1cc(NC(=S)NC2CCN(C)CC2)ccc1N1CCCC1=O ZINC000225800450 242040419 /nfs/dbraw/zinc/04/04/19/242040419.db2.gz QCVYSZRXCHMSRS-UHFFFAOYSA-N 0 3 346.500 2.502 40 0 EFABHN CCOC(=O)c1ccc(C)c(NC(=S)NC2CCN(C)CC2)c1 ZINC000225800165 242041757 /nfs/dbraw/zinc/04/17/57/242041757.db2.gz ZQJFJQWOCBNJKN-UHFFFAOYSA-N 0 3 335.473 2.552 40 0 EFABHN O=C(NCC1CC1)[C@H]1CCC2(CCN(Cc3ccsc3)CC2)O1 ZINC000096061164 283949058 /nfs/dbraw/zinc/94/90/58/283949058.db2.gz MJQDWIYGKCJUGE-MRXNPFEDSA-N 0 3 334.485 2.788 40 0 EFABHN COc1ccccc1[C@H]1CCC[C@@H](C)N1C[C@H](O)CN1CCCC1=O ZINC000241775891 243000603 /nfs/dbraw/zinc/00/06/03/243000603.db2.gz RPZLUEYMCCULTN-JFIYKMOQSA-N 0 3 346.471 2.594 40 0 EFABHN C[C@@H]1C[C@H](NC(=O)NCCC2(O)CCC2)CCN1Cc1ccccc1 ZINC000241795535 243002907 /nfs/dbraw/zinc/00/29/07/243002907.db2.gz RZZPUBTTXNAANK-SJLPKXTDSA-N 0 3 345.487 2.644 40 0 EFABHN C[C@@H]1C[C@@H](NC(=O)NCCC2(O)CCC2)CCN1Cc1ccccc1 ZINC000241795533 243003662 /nfs/dbraw/zinc/00/36/62/243003662.db2.gz RZZPUBTTXNAANK-AEFFLSMTSA-N 0 3 345.487 2.644 40 0 EFABHN CCCOc1cccc(CN2CCCN(c3cccnn3)CC2)c1 ZINC000093150705 203093378 /nfs/dbraw/zinc/09/33/78/203093378.db2.gz MGUYEQINAHKNJS-UHFFFAOYSA-N 0 3 326.444 2.978 40 0 EFABHN CCN1CCN([C@H]2CCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)CC1 ZINC000093132909 203094149 /nfs/dbraw/zinc/09/41/49/203094149.db2.gz XQKXLOPZIRQYAJ-IBGZPJMESA-N 0 3 343.515 2.612 40 0 EFABHN NC(=O)[C@H]1CCCN(Cc2ccccc2NC2CCSCC2)C1 ZINC000092160964 203077937 /nfs/dbraw/zinc/07/79/37/203077937.db2.gz LUHUZKCCHGYWJR-HNNXBMFYSA-N 0 3 333.501 2.691 40 0 EFABHN Cc1ccc(CN2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000091920469 203078363 /nfs/dbraw/zinc/07/83/63/203078363.db2.gz QSXGVNLGSYSZOR-KBPBESRZSA-N 0 3 336.501 2.904 40 0 EFABHN C[C@@H]1CN(Cc2ccoc2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000253603159 244034763 /nfs/dbraw/zinc/03/47/63/244034763.db2.gz BNZWGNPSEMERGT-LSBZLQRGSA-N 0 3 332.444 2.565 40 0 EFABHN COc1ccc(CCNCc2cnn(CC(F)(F)F)c2)cc1OC ZINC000256054561 244066390 /nfs/dbraw/zinc/06/63/90/244066390.db2.gz WUVWGDFQMRIJKO-UHFFFAOYSA-N 0 3 343.349 2.795 40 0 EFABHN Cc1ccc(C[C@H]2CCCN(Cc3cnc(N(C)C)nc3)C2)cn1 ZINC000257199655 244114603 /nfs/dbraw/zinc/11/46/03/244114603.db2.gz AAHNGLFOZRQJHA-QGZVFWFLSA-N 0 3 325.460 2.701 40 0 EFABHN CN1CCC[C@@H](c2cncc(C(=O)NCc3ccccc3Cl)n2)C1 ZINC000257211256 244151076 /nfs/dbraw/zinc/15/10/76/244151076.db2.gz BYDXABUNGSLVNS-CQSZACIVSA-N 0 3 344.846 2.869 40 0 EFABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000257211956 244153098 /nfs/dbraw/zinc/15/30/98/244153098.db2.gz CBFVFIWTFWYXCY-OAHLLOKOSA-N 0 3 325.412 2.827 40 0 EFABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3ccc(F)cc3)CCO2)n1 ZINC000257215005 244164906 /nfs/dbraw/zinc/16/49/06/244164906.db2.gz COGUSOFBGDSDJK-SFHVURJKSA-N 0 3 343.402 2.809 40 0 EFABHN CCn1cc(C(=O)N2CC[C@H](c3cc(N(C)C)cc(C)n3)C2)c(C)n1 ZINC000257221529 244185197 /nfs/dbraw/zinc/18/51/97/244185197.db2.gz DPLGSOYQYZVFPM-HNNXBMFYSA-N 0 3 341.459 2.611 40 0 EFABHN Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc(CN(C)C)cc3)C2)n1 ZINC000257225710 244199608 /nfs/dbraw/zinc/19/96/08/244199608.db2.gz FHKQICIWPABFSN-QGZVFWFLSA-N 0 3 326.444 2.800 40 0 EFABHN Cn1cncc1CN1CCN(C)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257226428 244202731 /nfs/dbraw/zinc/20/27/31/244202731.db2.gz FKORNUUWSSZDND-KRWDZBQOSA-N 0 3 349.482 2.575 40 0 EFABHN O=C(CN1CCCCCC1)N1C[C@H]2[C@H](CC[C@@H]2Oc2cccnc2)C1 ZINC000257231424 244214284 /nfs/dbraw/zinc/21/42/84/244214284.db2.gz GGQAMOGLVKLHEK-NEWSRXKRSA-N 0 3 343.471 2.573 40 0 EFABHN CN(C)Cc1cnc(CC2CCN(Cc3ncccc3F)CC2)cn1 ZINC000257219518 244178216 /nfs/dbraw/zinc/17/82/16/244178216.db2.gz DHBJVONXXIJSDJ-UHFFFAOYSA-N 0 3 343.450 2.527 40 0 EFABHN CNCC(=O)N1CCC(c2cccc(Oc3ccccc3)n2)CC1 ZINC000072384517 203210549 /nfs/dbraw/zinc/21/05/49/203210549.db2.gz ILJWNMQPOOYGQI-UHFFFAOYSA-N 0 3 325.412 2.799 40 0 EFABHN CC(=O)Nc1nc(C)c(-c2cncc([C@@H]3CCCN(C)C3)n2)s1 ZINC000257244778 244253013 /nfs/dbraw/zinc/25/30/13/244253013.db2.gz IMSFWHCKXCXFIM-GFCCVEGCSA-N 0 3 331.445 2.676 40 0 EFABHN CN1CCC[C@@H](c2cncc(N3CC4(CCCCC4)OC3=O)n2)C1 ZINC000257244086 244253185 /nfs/dbraw/zinc/25/31/85/244253185.db2.gz IJUGXMYRIJHOAZ-CQSZACIVSA-N 0 3 330.432 2.945 40 0 EFABHN Cc1cncc(C2CCN(Cc3ccc4c(c3)OCCO4)CC2)n1 ZINC000257245142 244255753 /nfs/dbraw/zinc/25/57/53/244255753.db2.gz IOFNJZVQNSZGKF-UHFFFAOYSA-N 0 3 325.412 2.936 40 0 EFABHN CCc1nccn1-c1cncc([C@@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072355424 203204068 /nfs/dbraw/zinc/20/40/68/203204068.db2.gz FQSMDIJVYIXOMK-MRXNPFEDSA-N 0 3 348.454 2.999 40 0 EFABHN CCc1nccn1-c1cncc([C@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072355425 203204285 /nfs/dbraw/zinc/20/42/85/203204285.db2.gz FQSMDIJVYIXOMK-INIZCTEOSA-N 0 3 348.454 2.999 40 0 EFABHN CNCC(=O)N1CCC[C@H](c2cncc(Oc3ccccc3C)n2)C1 ZINC000072363310 203205821 /nfs/dbraw/zinc/20/58/21/203205821.db2.gz XIPMMQCBKFSNQO-HNNXBMFYSA-N 0 3 340.427 2.503 40 0 EFABHN NC(=O)C1(CCCc2ccccn2)CCN(Cc2cccnc2)CC1 ZINC000072367242 203207893 /nfs/dbraw/zinc/20/78/93/203207893.db2.gz XRCYZRMYDWSHEA-UHFFFAOYSA-N 0 3 338.455 2.567 40 0 EFABHN COCCN1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(OC)c1 ZINC000072376821 203208762 /nfs/dbraw/zinc/20/87/62/203208762.db2.gz TXILDFVFAZTFAI-QGZVFWFLSA-N 0 3 342.443 2.908 40 0 EFABHN Cn1nc([C@H]2CCCN(Cc3ccccc3F)C2)c2nccnc21 ZINC000072393843 203214020 /nfs/dbraw/zinc/21/40/20/203214020.db2.gz RFAAMJYMIPPYHU-AWEZNQCLSA-N 0 3 325.391 2.882 40 0 EFABHN Cc1noc(C)c1C(=O)N1CC[C@@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257258242 244288802 /nfs/dbraw/zinc/28/88/02/244288802.db2.gz KSYHNHXOHGVHSH-CQSZACIVSA-N 0 3 328.416 2.691 40 0 EFABHN Cc1cnccc1CN1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257271361 244379599 /nfs/dbraw/zinc/37/95/99/244379599.db2.gz MXZIJWZYUQNNCS-QGZVFWFLSA-N 0 3 334.427 2.745 40 0 EFABHN Cn1cnc(CN2CCN(C)C[C@@H](Cc3cccc4cccnc43)C2)c1 ZINC000257270388 244376792 /nfs/dbraw/zinc/37/67/92/244376792.db2.gz MUAOLEFBTZBCGG-QGZVFWFLSA-N 0 3 349.482 2.575 40 0 EFABHN Cc1ccsc1CN1CCOC[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000257262554 244349350 /nfs/dbraw/zinc/34/93/50/244349350.db2.gz LLWYDCCUPAUKGJ-OAHLLOKOSA-N 0 3 346.500 2.604 40 0 EFABHN Cc1ccc(CN2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)cn1 ZINC000257272297 244381647 /nfs/dbraw/zinc/38/16/47/244381647.db2.gz NBWHRNNFKKMVCB-KRWDZBQOSA-N 0 3 334.427 2.745 40 0 EFABHN Cc1cccc(Nc2nccnc2C2CCN([C@@H]3CCOC3)CC2)n1 ZINC000257306753 244479093 /nfs/dbraw/zinc/47/90/93/244479093.db2.gz SVRJUMDZBLUBCM-MRXNPFEDSA-N 0 3 339.443 2.892 40 0 EFABHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000248757268 299403362 /nfs/dbraw/zinc/40/33/62/299403362.db2.gz VJLVPKAVHYJZTB-WBQNTZJQSA-N 0 3 335.469 2.698 40 0 EFABHN Cn1cc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CCC3)C2)cn1 ZINC000107712530 204244388 /nfs/dbraw/zinc/24/43/88/204244388.db2.gz NPZVKGKWKHXSNQ-OALUTQOASA-N 0 3 333.476 2.608 40 0 EFABHN Cc1ccc(CN2CCC[C@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)o1 ZINC000107731234 204246177 /nfs/dbraw/zinc/24/61/77/204246177.db2.gz QGHHWOWFABPJQQ-QAPCUYQASA-N 0 3 346.406 2.753 40 0 EFABHN Cc1ccc(CN2CCO[C@@H]3[C@@H](COCCN(C)C)CC[C@H]32)s1 ZINC000107747123 204247226 /nfs/dbraw/zinc/24/72/26/204247226.db2.gz HEYIOBUAGCPJTH-KBAYOESNSA-N 0 3 338.517 2.614 40 0 EFABHN COCCNC(=O)[C@@H]1CCC[C@@]12CCN(Cc1ccccc1F)C2 ZINC000108528750 204264960 /nfs/dbraw/zinc/26/49/60/204264960.db2.gz HCMCOVBFOGMSKY-LPHOPBHVSA-N 0 3 334.435 2.581 40 0 EFABHN Cc1cccnc1CN1CCC2(CC(NC(=O)c3ccco3)C2)C1 ZINC000108529973 204266250 /nfs/dbraw/zinc/26/62/50/204266250.db2.gz KVMZRHLWUQKLPA-UHFFFAOYSA-N 0 3 325.412 2.768 40 0 EFABHN COCCN1CC[C@@]2(CCCN(Cc3cccc(F)c3C)CC2)C1=O ZINC000108525173 204266382 /nfs/dbraw/zinc/26/63/82/204266382.db2.gz HRLGFJBIPWBGQQ-FQEVSTJZSA-N 0 3 348.462 2.985 40 0 EFABHN Cn1cncc1CN1CCC2(CC(NC(=O)c3ccsc3)C2)CC1 ZINC000108529324 204266408 /nfs/dbraw/zinc/26/64/08/204266408.db2.gz PWWVXPAKRPHADH-UHFFFAOYSA-N 0 3 344.484 2.656 40 0 EFABHN C[C@H]1CCCN(CCNC(=O)c2cccc(Br)c2)C1 ZINC000046877538 204336402 /nfs/dbraw/zinc/33/64/02/204336402.db2.gz ZQSNOACYPQTVAB-LBPRGKRZSA-N 0 3 325.250 2.911 40 0 EFABHN C[C@@H](O)CNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000047674745 204338972 /nfs/dbraw/zinc/33/89/72/204338972.db2.gz XDGVSVMBZRZPIY-OAHLLOKOSA-N 0 3 341.455 2.595 40 0 EFABHN CCOC(=O)c1ccc(NC(=O)NCCN2CCCC[C@H]2C)cc1 ZINC000048331813 204345221 /nfs/dbraw/zinc/34/52/21/204345221.db2.gz GJOOBJQOJQNYKF-CQSZACIVSA-N 0 3 333.432 2.859 40 0 EFABHN CCCN1CCN(C2CCN(c3cc(C)nc(C4CC4)n3)CC2)CC1 ZINC000095397830 218329525 /nfs/dbraw/zinc/32/95/25/218329525.db2.gz VONUESZCGPEQSC-UHFFFAOYSA-N 0 3 343.519 2.659 40 0 EFABHN CN(C)CCNC(=O)c1cccc(CN[C@H]2CCc3ccccc32)c1 ZINC000095421705 218364181 /nfs/dbraw/zinc/36/41/81/218364181.db2.gz QSGDWRDFRTUSDM-FQEVSTJZSA-N 0 3 337.467 2.755 40 0 EFABHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1c(Cl)cccc1Cl ZINC000095429865 218372851 /nfs/dbraw/zinc/37/28/51/218372851.db2.gz LWMIOBZYFDUIHV-LBPRGKRZSA-N 0 3 343.254 2.977 40 0 EFABHN C[C@H](NCCc1ccc(F)c(F)c1)c1cccc(S(N)(=O)=O)c1 ZINC000097370677 219016699 /nfs/dbraw/zinc/01/66/99/219016699.db2.gz KRKLXICMACZMFQ-NSHDSACASA-N 0 3 340.395 2.506 40 0 EFABHN C[C@H](NC[C@@]1(O)CCc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000090780126 274515062 /nfs/dbraw/zinc/51/50/62/274515062.db2.gz NYOHCPVKYOHNKR-LIRRHRJNSA-N 0 3 345.464 2.575 40 0 EFABHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Nc1ccn(C)n1 ZINC000096434408 276139312 /nfs/dbraw/zinc/13/93/12/276139312.db2.gz YLCJVIQVFQURFE-KRWDZBQOSA-N 0 3 341.459 2.796 40 0 EFABHN COCCN1CCC2(CC1)C[C@H](NC(=O)C1CC1)c1ccccc1O2 ZINC000096242763 277515073 /nfs/dbraw/zinc/51/50/73/277515073.db2.gz PBYBOOHHKYKGLH-KRWDZBQOSA-N 0 3 344.455 2.517 40 0 EFABHN C[C@@H](NC[C@@]1(O)CCc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000090780127 278352800 /nfs/dbraw/zinc/35/28/00/278352800.db2.gz NYOHCPVKYOHNKR-KUHUBIRLSA-N 0 3 345.464 2.575 40 0 EFABHN Cc1nn([C@@H](C)CC(=O)NCCN2CCC(C)CC2)c(C)c1Cl ZINC000019577566 302806286 /nfs/dbraw/zinc/80/62/86/302806286.db2.gz JDQUEVUBSYLFTH-ZDUSSCGKSA-N 0 3 340.899 2.953 40 0 EFABHN CN(C)CCN(C)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000097100518 323213828 /nfs/dbraw/zinc/21/38/28/323213828.db2.gz FVUOGHZGXZVSTN-GFCCVEGCSA-N 0 3 339.308 2.771 40 0 EFABHN O=C(NCCCNCc1cccnc1)[C@H]1SCCc2ccccc21 ZINC000120894830 323215935 /nfs/dbraw/zinc/21/59/35/323215935.db2.gz BPACXZBWDZBCBW-SFHVURJKSA-N 0 3 341.480 2.708 40 0 EFABHN Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CC[C@@H](N4CCCC4)C3)c2c1 ZINC000181416639 323233820 /nfs/dbraw/zinc/23/38/20/323233820.db2.gz YTMVYACURHZVSK-CYBMUJFWSA-N 0 3 343.402 2.698 40 0 EFABHN Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CC[C@H](N4CCCC4)C3)c2c1 ZINC000181416614 323233843 /nfs/dbraw/zinc/23/38/43/323233843.db2.gz YTMVYACURHZVSK-ZDUSSCGKSA-N 0 3 343.402 2.698 40 0 EFABHN Cc1ccc(CNC(=O)[C@]2(C)CCCCN2)c(OC[C@H]2CCOC2)c1 ZINC000195557000 323528749 /nfs/dbraw/zinc/52/87/49/323528749.db2.gz SVCDHVLTFJEZPA-JXFKEZNVSA-N 0 3 346.471 2.559 40 0 EFABHN CCCC[C@H](N)C(=O)N1CCc2sc(Br)cc2C1 ZINC000095466880 473210286 /nfs/dbraw/zinc/21/02/86/473210286.db2.gz CWVXSKBBNXKGKY-JTQLQIEISA-N 0 3 331.279 2.913 40 0 EFABHN CCCC[C@@H](N)C(=O)N1CCc2sc(Br)cc2C1 ZINC000095466881 473210607 /nfs/dbraw/zinc/21/06/07/473210607.db2.gz CWVXSKBBNXKGKY-SNVBAGLBSA-N 0 3 331.279 2.913 40 0 EFABHN COc1ccc([C@@H](N)c2nc(COc3ccc(F)cc3)n[nH]2)cc1 ZINC000095533693 473222114 /nfs/dbraw/zinc/22/21/14/473222114.db2.gz NNLPOPAESZEZMW-MRXNPFEDSA-N 0 3 328.347 2.580 40 0 EFABHN COc1cccc(NCc2n[nH]c([C@@H](N)c3ccc(F)cc3)n2)c1 ZINC000095533287 473222252 /nfs/dbraw/zinc/22/22/52/473222252.db2.gz OSIYINNMODCWSO-INIZCTEOSA-N 0 3 327.363 2.613 40 0 EFABHN COc1cccc(NCCc2nc([C@@H](N)c3ccc(C)cc3)n[nH]2)c1 ZINC000095534122 473223637 /nfs/dbraw/zinc/22/36/37/473223637.db2.gz BNNLSMBMWWZDEB-SFHVURJKSA-N 0 3 337.427 2.824 40 0 EFABHN CCOc1cc([C@@H](N)c2n[nH]c(-c3ccc(O)cc3)n2)ccc1OC ZINC000095534387 473224200 /nfs/dbraw/zinc/22/42/00/473224200.db2.gz NHLAVLNXYDINDN-MRXNPFEDSA-N 0 3 340.383 2.633 40 0 EFABHN COc1ccc(CN2CCC3(CC2)c2ncc(C)n2CCN3C)cc1 ZINC000096037001 473258817 /nfs/dbraw/zinc/25/88/17/473258817.db2.gz PAFZCRRHDKXVTC-UHFFFAOYSA-N 0 3 340.471 2.637 40 0 EFABHN COC[C@@]12CCCO[C@@H]1CCN(Cc1cc(OC)cc(OC)c1)C2 ZINC000096039144 473259892 /nfs/dbraw/zinc/25/98/92/473259892.db2.gz NUDSVTVLBMFOIE-MOPGFXCFSA-N 0 3 335.444 2.721 40 0 EFABHN Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3CCOCc3ccccc3)O2)n1 ZINC000096041076 473260892 /nfs/dbraw/zinc/26/08/92/473260892.db2.gz XZLMQBMXMPUCHC-KZNAEPCWSA-N 0 3 343.427 2.889 40 0 EFABHN O=C(NC1CCCC1)[C@@H]1CCO[C@@H]2CCN(Cc3ccoc3)C[C@H]21 ZINC000096043339 473264898 /nfs/dbraw/zinc/26/48/98/473264898.db2.gz ZMMJYXHQUBNTHT-FGTMMUONSA-N 0 3 332.444 2.565 40 0 EFABHN Cn1cc(CN2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)cn1 ZINC000096046655 473266418 /nfs/dbraw/zinc/26/64/18/473266418.db2.gz AVHPGCZMURHKSI-UHFFFAOYSA-N 0 3 344.484 2.610 40 0 EFABHN O=C(c1cnccn1)N1CCC2(CCN(Cc3ccsc3)C2)CC1 ZINC000096046671 473267094 /nfs/dbraw/zinc/26/70/94/473267094.db2.gz UEBUTKLTWUQNJO-UHFFFAOYSA-N 0 3 342.468 2.666 40 0 EFABHN O=C1N(c2ccsc2)CC[C@]12CCCN(CC1CCOCC1)C2 ZINC000096048764 473270552 /nfs/dbraw/zinc/27/05/52/473270552.db2.gz AXBILVDNNMIDHB-SFHVURJKSA-N 0 3 334.485 2.994 40 0 EFABHN O=C1N(Cc2ccccn2)CCC12CCN(Cc1ccco1)CC2 ZINC000096046894 473268839 /nfs/dbraw/zinc/26/88/39/473268839.db2.gz IDUHOAOSPHWNBC-UHFFFAOYSA-N 0 3 325.412 2.689 40 0 EFABHN CN(Cc1ccccn1)[C@H]1COC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096048046 473268923 /nfs/dbraw/zinc/26/89/23/473268923.db2.gz FWYHMRXLVKEIGG-LJQANCHMSA-N 0 3 341.455 2.930 40 0 EFABHN Cn1cc(CN2CCC3(C[C@H](OCc4ccccc4)CO3)CC2)cn1 ZINC000096047850 473269059 /nfs/dbraw/zinc/26/90/59/473269059.db2.gz CTHFLGWPHQYIPB-IBGZPJMESA-N 0 3 341.455 2.760 40 0 EFABHN Cc1ccc(CN2CCC3(C[C@@H](N4CCOCC4)CO3)CC2)s1 ZINC000096047967 473269760 /nfs/dbraw/zinc/26/97/60/473269760.db2.gz RCFNDJRDYRTNMM-MRXNPFEDSA-N 0 3 336.501 2.512 40 0 EFABHN COc1ccc(CN2CCC3(C[C@H](c4cnn(C)c4)CO3)CC2)cc1 ZINC000096047801 473270209 /nfs/dbraw/zinc/27/02/09/473270209.db2.gz PLQNUBGIODNEME-KRWDZBQOSA-N 0 3 341.455 2.967 40 0 EFABHN O=C1C[C@@]2(CCN(Cc3cccnc3)C2)CN1c1cccc(F)c1 ZINC000096050732 473273566 /nfs/dbraw/zinc/27/35/66/473273566.db2.gz PGFAWJPIUUZKFQ-LJQANCHMSA-N 0 3 325.387 2.850 40 0 EFABHN CN(Cc1ccco1)[C@H]1CCC12CCN(C(=O)C1CCOCC1)CC2 ZINC000096051611 473275158 /nfs/dbraw/zinc/27/51/58/473275158.db2.gz BATKMDFKMSCNAP-SFHVURJKSA-N 0 3 346.471 2.909 40 0 EFABHN Cc1ccc(CN2CCC3(CC2)C(=O)N(CC(C)C)CCN3C)s1 ZINC000096050052 473274649 /nfs/dbraw/zinc/27/46/49/473274649.db2.gz MLFVGHKQHQWGNC-UHFFFAOYSA-N 0 3 349.544 2.821 40 0 EFABHN Cc1ccc(CN2CCC3(CC[C@@H]3NC(=O)c3cnccn3)CC2)o1 ZINC000096051488 473276331 /nfs/dbraw/zinc/27/63/31/473276331.db2.gz TVPADQGLDBDEGA-KRWDZBQOSA-N 0 3 340.427 2.553 40 0 EFABHN Cc1ccc(CN2CCC3(CC[C@H]3NC(=O)c3cnccn3)CC2)o1 ZINC000096051489 473276805 /nfs/dbraw/zinc/27/68/05/473276805.db2.gz TVPADQGLDBDEGA-QGZVFWFLSA-N 0 3 340.427 2.553 40 0 EFABHN Cc1noc(C)c1CN1C[C@@]2(CCN(Cc3cccs3)C2)CC1=O ZINC000096050942 473276940 /nfs/dbraw/zinc/27/69/40/473276940.db2.gz CDBSZTQTHGNOJC-SFHVURJKSA-N 0 3 345.468 2.978 40 0 EFABHN CC[C@](C)(CC(=O)OC)NCC(=O)Nc1sc(C)c(C)c1C ZINC000096461845 473433654 /nfs/dbraw/zinc/43/36/54/473433654.db2.gz CVRBCIPGIPFITP-MRXNPFEDSA-N 0 3 326.462 2.933 40 0 EFABHN c1csc(CN2CCN3C[C@@H](OCc4ccccn4)C[C@@H]3C2)c1 ZINC000096055111 473278478 /nfs/dbraw/zinc/27/84/78/473278478.db2.gz VCDMXQBQZCWDQR-SJORKVTESA-N 0 3 329.469 2.618 40 0 EFABHN Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4ccsc4)CCN3C2)n1 ZINC000096055076 473278500 /nfs/dbraw/zinc/27/85/00/473278500.db2.gz QZYJRGYUHLKPJL-RBUKOAKNSA-N 0 3 343.496 2.927 40 0 EFABHN c1cc(CN2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cs1 ZINC000096055032 473279111 /nfs/dbraw/zinc/27/91/11/473279111.db2.gz JHQVMIFJKJYNCS-MSOLQXFVSA-N 0 3 329.469 2.618 40 0 EFABHN c1cc(CN2CCO[C@H]3[C@H](OCCN4CCCC4)CC[C@@H]32)cs1 ZINC000096057922 473280996 /nfs/dbraw/zinc/28/09/96/473280996.db2.gz JONYWFBKUKGGSH-RCCFBDPRSA-N 0 3 336.501 2.592 40 0 EFABHN Cc1ccc(CN2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)s1 ZINC000096057123 473281458 /nfs/dbraw/zinc/28/14/58/473281458.db2.gz BRHZXCNMKVQHLR-WDYCEAGBSA-N 0 3 348.512 2.952 40 0 EFABHN Cc1ccc(CN2CCC3(C[C@@H](c4cccnc4)C(=O)N3)CC2)o1 ZINC000096061377 473284839 /nfs/dbraw/zinc/28/48/39/473284839.db2.gz CXTRFFNPXNPWJU-KRWDZBQOSA-N 0 3 325.412 2.621 40 0 EFABHN Fc1ccc(CNC[C@@H]2Cn3nnc(-c4ccsc4)c3CO2)cc1 ZINC000096061048 473285053 /nfs/dbraw/zinc/28/50/53/473285053.db2.gz KRTRQEOKBVOBMZ-OAHLLOKOSA-N 0 3 344.415 2.834 40 0 EFABHN c1cc(CNC[C@@H]2Cn3nnc(-c4ccsc4)c3CO2)cs1 ZINC000096061030 473285136 /nfs/dbraw/zinc/28/51/36/473285136.db2.gz QACDYBDTQXLUAM-CYBMUJFWSA-N 0 3 332.454 2.757 40 0 EFABHN O=C([C@@H]1CCC2(CCN(Cc3ccsc3)CC2)O1)N1CCCC1 ZINC000096061227 473286233 /nfs/dbraw/zinc/28/62/33/473286233.db2.gz WTDPSBGZVSDKBX-INIZCTEOSA-N 0 3 334.485 2.884 40 0 EFABHN Cn1cccc1CN1CCC2(CCN(C(=O)c3cccnc3)C2)CC1 ZINC000096062866 473288086 /nfs/dbraw/zinc/28/80/86/473288086.db2.gz MFBPHKDLZHREKN-UHFFFAOYSA-N 0 3 338.455 2.548 40 0 EFABHN Cn1cc(CN2CCC3(C[C@@H](Oc4ccccc4)CO3)CC2)cn1 ZINC000096073199 473289573 /nfs/dbraw/zinc/28/95/73/473289573.db2.gz UGNFPMSNHOFMIF-GOSISDBHSA-N 0 3 327.428 2.623 40 0 EFABHN COc1ccc2c(c1)C1(CCN(C(=O)c3ccc[nH]3)CC1)N(C)CC2 ZINC000096079701 473291242 /nfs/dbraw/zinc/29/12/42/473291242.db2.gz VPYFGJMIZVRSAO-UHFFFAOYSA-N 0 3 339.439 2.643 40 0 EFABHN Fc1ccccc1CN1CCC2(C[C@@H](Nc3cnccn3)CO2)CC1 ZINC000096074291 473291832 /nfs/dbraw/zinc/29/18/32/473291832.db2.gz OQUFFKBNTOLLCD-MRXNPFEDSA-N 0 3 342.418 2.851 40 0 EFABHN O=C1C[C@@]2(CCN(Cc3ccc(F)cc3)C2)CN1c1ccccn1 ZINC000096090381 473293736 /nfs/dbraw/zinc/29/37/36/473293736.db2.gz AGTJTKZPNAAYSI-LJQANCHMSA-N 0 3 325.387 2.850 40 0 EFABHN O=C1N(CC2CC2)c2ccccc2[C@]12CCN(Cc1ccncc1)C2 ZINC000096100337 473296463 /nfs/dbraw/zinc/29/64/63/473296463.db2.gz QKDJZCKEFKQOMM-OAQYLSRUSA-N 0 3 333.435 2.982 40 0 EFABHN Fc1cccnc1O[C@H]1COC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096107033 473300192 /nfs/dbraw/zinc/30/01/92/473300192.db2.gz QEGHARXBGRBITA-MRXNPFEDSA-N 0 3 343.402 2.818 40 0 EFABHN c1csc(CN2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)c1 ZINC000096108985 473301672 /nfs/dbraw/zinc/30/16/72/473301672.db2.gz PHVXPYBDPIXDBX-QAPCUYQASA-N 0 3 330.453 2.808 40 0 EFABHN CO[C@@H]1CCN(Cc2scnc2C)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096108609 473302580 /nfs/dbraw/zinc/30/25/80/473302580.db2.gz ZPFLPNWUCQCLHV-GVDBMIGSSA-N 0 3 347.484 2.766 40 0 EFABHN O=C(CC(F)(F)F)N1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000096157420 473316101 /nfs/dbraw/zinc/31/61/01/473316101.db2.gz FBHNOVIAKKMCNN-UHFFFAOYSA-N 0 3 341.377 2.849 40 0 EFABHN Fc1cnc(N2CCC[C@]3(CCN(Cc4ccncc4)C3)C2)nc1 ZINC000096158309 473318042 /nfs/dbraw/zinc/31/80/42/473318042.db2.gz LODXNLGHQFWIQK-GOSISDBHSA-N 0 3 327.407 2.503 40 0 EFABHN Cn1cccc1CN1CC[C@]2(C1)CCCN(C(=O)c1cccnc1)C2 ZINC000096158143 473318777 /nfs/dbraw/zinc/31/87/77/473318777.db2.gz FFEUSRXZANGJQI-FQEVSTJZSA-N 0 3 338.455 2.548 40 0 EFABHN CC(C)n1c2ccccc2nc1[C@H](C)N[C@@H](C)CN1CCOCC1 ZINC000162250509 473320889 /nfs/dbraw/zinc/32/08/89/473320889.db2.gz YCTSGECCNXKDNE-HOTGVXAUSA-N 0 3 330.476 2.989 40 0 EFABHN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2CCc1ccccc1 ZINC000096184585 473325552 /nfs/dbraw/zinc/32/55/52/473325552.db2.gz WPZYIYLIXDVTNZ-SJORKVTESA-N 0 3 327.453 2.675 40 0 EFABHN O=C1C[C@@H]2[C@H](CCN2Cc2ccc(F)cc2)N1Cc1cccnc1 ZINC000096183984 473326214 /nfs/dbraw/zinc/32/62/14/473326214.db2.gz GDYHBNFIJPAYAR-ZWKOTPCHSA-N 0 3 325.387 2.596 40 0 EFABHN c1cncc(COC[C@@H]2CC[C@H]3[C@H](CCN3Cc3ccncc3)O2)c1 ZINC000096186130 473326518 /nfs/dbraw/zinc/32/65/18/473326518.db2.gz YLHIBXRMWXGOHH-UFYCRDLUSA-N 0 3 339.439 2.815 40 0 EFABHN O=C(NC[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@H]21)c1ccsc1 ZINC000096185323 473326657 /nfs/dbraw/zinc/32/66/57/473326657.db2.gz DQWRYMZIZRDGCX-ZACQAIPSSA-N 0 3 346.452 2.608 40 0 EFABHN c1cncc(COC[C@H]2CC[C@H]3[C@H](CCN3Cc3ccncc3)O2)c1 ZINC000096186131 473327444 /nfs/dbraw/zinc/32/74/44/473327444.db2.gz YLHIBXRMWXGOHH-AABGKKOBSA-N 0 3 339.439 2.815 40 0 EFABHN c1csc(CN2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)c1 ZINC000096202201 473337618 /nfs/dbraw/zinc/33/76/18/473337618.db2.gz AAGZFMOUTLSMBO-KRWDZBQOSA-N 0 3 349.525 2.929 40 0 EFABHN CN(C)[C@@H]1CCN(C(=O)Cc2cccc(F)c2)[C@H]1Cc1ccncc1 ZINC000096200995 473338189 /nfs/dbraw/zinc/33/81/89/473338189.db2.gz QWKDLXXAVMUSSQ-MOPGFXCFSA-N 0 3 341.430 2.537 40 0 EFABHN C[C@H]1CN(Cc2ccco2)C[C@@]12COCCN(Cc1cccnc1)C2 ZINC000096202395 473338735 /nfs/dbraw/zinc/33/87/35/473338735.db2.gz RJOXHYJSRRIHPK-PXNSSMCTSA-N 0 3 341.455 2.645 40 0 EFABHN Cc1ccc(CN2CCC3(CN(C(=O)c4ccncc4)C3)CC2)o1 ZINC000096203023 473339718 /nfs/dbraw/zinc/33/97/18/473339718.db2.gz HQOACWURSQUPEL-UHFFFAOYSA-N 0 3 325.412 2.721 40 0 EFABHN O=C(CCc1ccccc1)N1CCCN(C[C@H]2CCCCO2)CC1 ZINC000083250778 473340956 /nfs/dbraw/zinc/34/09/56/473340956.db2.gz GITWAELRMNQJBT-LJQANCHMSA-N 0 3 330.472 2.723 40 0 EFABHN c1coc(CN2CC[C@H]3OCC[C@@]3(CCNc3ncccn3)C2)c1 ZINC000096207611 473342363 /nfs/dbraw/zinc/34/23/63/473342363.db2.gz WORRVQLKWSAPPR-AEFFLSMTSA-N 0 3 328.416 2.553 40 0 EFABHN CO[C@@H]1CCN(Cc2cccc(C)n2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096208501 473344805 /nfs/dbraw/zinc/34/48/05/473344805.db2.gz WIFDCSDSBIGCPY-XUVXKRRUSA-N 0 3 341.455 2.704 40 0 EFABHN Cc1ccc(CN2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)o1 ZINC000096208638 473345195 /nfs/dbraw/zinc/34/51/95/473345195.db2.gz XELXIGOIVKFKLU-OIISXLGYSA-N 0 3 343.427 2.928 40 0 EFABHN Cc1cccc(CN2CCC[C@@]3(CCN(Cc4nccn4C)C3)C2)n1 ZINC000096216122 473347228 /nfs/dbraw/zinc/34/72/28/473347228.db2.gz FYZAWXOLIJJBER-HXUWFJFHSA-N 0 3 339.487 2.612 40 0 EFABHN c1cc(CN2CC[C@@]3(C2)CCC[C@@H](CN2CCOCC2)O3)cs1 ZINC000096215088 473348220 /nfs/dbraw/zinc/34/82/20/473348220.db2.gz WDASDZHUAOOVHN-ZWKOTPCHSA-N 0 3 336.501 2.594 40 0 EFABHN Cc1ccc(CN2CCC3(CCOC[C@H]3NC(=O)CC3CC3)CC2)o1 ZINC000096219177 473351724 /nfs/dbraw/zinc/35/17/24/473351724.db2.gz VBMYXVAELSLRTI-GOSISDBHSA-N 0 3 346.471 2.875 40 0 EFABHN Fc1cnc(N[C@@H]2CO[C@]3(CCN(Cc4cccs4)C3)C2)nc1 ZINC000096219599 473352213 /nfs/dbraw/zinc/35/22/13/473352213.db2.gz BSMISWUCEVVFHF-XJKSGUPXSA-N 0 3 334.420 2.523 40 0 EFABHN c1csc(CN2CCC3(C[C@@H](Nc4ncccn4)CO3)CC2)c1 ZINC000096221549 473353826 /nfs/dbraw/zinc/35/38/26/473353826.db2.gz WGNWCJZXCFZPBC-CQSZACIVSA-N 0 3 330.457 2.774 40 0 EFABHN Cn1cc(N2CC[C@]3(CCCN(Cc4ccc(F)cc4)C3)C2=O)cn1 ZINC000096224656 473355145 /nfs/dbraw/zinc/35/51/45/473355145.db2.gz WBLNBUBCYPNKBT-IBGZPJMESA-N 0 3 342.418 2.578 40 0 EFABHN O=C1N(c2cncnc2)CC[C@]12CCCN(Cc1ccsc1)C2 ZINC000096224560 473355764 /nfs/dbraw/zinc/35/57/64/473355764.db2.gz NDMXGLVRUUAIBV-KRWDZBQOSA-N 0 3 328.441 2.557 40 0 EFABHN Fc1cnc(N[C@@H]2CO[C@]3(C2)CCCN(Cc2cccs2)C3)nc1 ZINC000096223251 473356136 /nfs/dbraw/zinc/35/61/36/473356136.db2.gz BIYGMVOIBRKRIP-YOEHRIQHSA-N 0 3 348.447 2.913 40 0 EFABHN CCN1CCOC[C@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228866 473359129 /nfs/dbraw/zinc/35/91/29/473359129.db2.gz VBDZNRPKWPJAEK-HXUWFJFHSA-N 0 3 341.455 2.742 40 0 EFABHN O=C(c1cccs1)N1CCC[C@]2(C1)COCCN(CC1CC1)C2 ZINC000096228810 473359546 /nfs/dbraw/zinc/35/95/46/473359546.db2.gz MBPWLKURJKOKIT-SFHVURJKSA-N 0 3 334.485 2.713 40 0 EFABHN Cn1cc(CN2CCC[C@@]3(C2)COCCN(c2ccccc2)C3)cn1 ZINC000096228953 473359567 /nfs/dbraw/zinc/35/95/67/473359567.db2.gz PBWGHAASIGABRU-FQEVSTJZSA-N 0 3 340.471 2.539 40 0 EFABHN Cc1cccc(CN2CC[C@]3(C2)COCc2cnc(N(C)C)nc23)c1 ZINC000096244003 473363029 /nfs/dbraw/zinc/36/30/29/473363029.db2.gz HFVIAOICEFGKNA-FQEVSTJZSA-N 0 3 338.455 2.525 40 0 EFABHN CN(C)C(=O)C[C@H]1CC2(CCN([C@H]3CCOC3)CC2)c2ccccc21 ZINC000096241996 473362531 /nfs/dbraw/zinc/36/25/31/473362531.db2.gz WMALKUCGYCAAQO-IRXDYDNUSA-N 0 3 342.483 2.775 40 0 EFABHN Cc1ccc(CN2CCc3nnc(Cn4cccc4)n3CC2)s1 ZINC000096259874 473367346 /nfs/dbraw/zinc/36/73/46/473367346.db2.gz KIYLFWJSYMZDKV-UHFFFAOYSA-N 0 3 327.457 2.556 40 0 EFABHN CC(C)CN1CCO[C@@H]2CCN(C(=O)Cc3ccsc3)CC[C@H]21 ZINC000096249252 473363501 /nfs/dbraw/zinc/36/35/01/473363501.db2.gz AGXYBPGGUCCNLS-IAGOWNOFSA-N 0 3 336.501 2.638 40 0 EFABHN Cc1noc(C)c1CN1C[C@@H]2C(=O)N(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096245319 473364111 /nfs/dbraw/zinc/36/41/11/473364111.db2.gz JDPBLBOSMWYFNL-YJBOKZPZSA-N 0 3 343.402 2.521 40 0 EFABHN O=C(c1ccsc1)N1C[C@@H]2CCN(Cc3ccncc3)C[C@@H]2C1 ZINC000096246166 473365540 /nfs/dbraw/zinc/36/55/40/473365540.db2.gz QZXMSWRNKCKDKU-DOTOQJQBSA-N 0 3 327.453 2.737 40 0 EFABHN CCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4ccccc4F)C[C@@H]32)N=C1C ZINC000096261441 473368779 /nfs/dbraw/zinc/36/87/79/473368779.db2.gz YKUGHJQMJPOBSP-SIXWZSSISA-N 0 3 329.419 2.687 40 0 EFABHN CCN1CCCN(C(=O)c2cnn3c2nccc3-c2ccccc2)CC1 ZINC000096405372 473381311 /nfs/dbraw/zinc/38/13/11/473381311.db2.gz GTPWWEKUCRLMKN-UHFFFAOYSA-N 0 3 349.438 2.564 40 0 EFABHN CC1CCN(C[C@@H](O)COc2ccccc2Br)CC1 ZINC000002696123 471418136 /nfs/dbraw/zinc/41/81/36/471418136.db2.gz BAZHRJRRYOSFAK-CYBMUJFWSA-N 0 3 328.250 2.921 40 0 EFABHN CC1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000004279515 471462345 /nfs/dbraw/zinc/46/23/45/471462345.db2.gz KLYRCBSDCDYZGV-CQSZACIVSA-N 0 3 328.250 2.921 40 0 EFABHN COc1cccc(C(=O)N2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000004777366 471475262 /nfs/dbraw/zinc/47/52/62/471475262.db2.gz HVAVOXHNZSHXEB-RYRKJORJSA-N 0 3 326.440 2.665 40 0 EFABHN CC(C)(C)NC(=O)COc1ccc(CNCc2ccncc2)cc1 ZINC000006858814 471574195 /nfs/dbraw/zinc/57/41/95/471574195.db2.gz RSQWHNHMBDAQGS-UHFFFAOYSA-N 0 3 327.428 2.665 40 0 EFABHN COc1ccc(Cl)cc1NC(=S)NC[C@H]1CCCN(C)C1 ZINC000009876400 471723193 /nfs/dbraw/zinc/72/31/93/471723193.db2.gz YLCWWHNOWONVBP-LLVKDONJSA-N 0 3 327.881 2.977 40 0 EFABHN CCc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)s1 ZINC000011693588 471758202 /nfs/dbraw/zinc/75/82/02/471758202.db2.gz YWJKPCLMKBQEGM-UHFFFAOYSA-N 0 3 330.519 2.709 40 0 EFABHN COc1ccc(CN(C[C@H]2CCOC2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187176 471767977 /nfs/dbraw/zinc/76/79/77/471767977.db2.gz ODTFRTHVZFTDRK-QAPCUYQASA-N 0 3 335.444 2.721 40 0 EFABHN Cc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@H]1C)CC1(CCN(C)CC1)O2 ZINC000012228261 471769694 /nfs/dbraw/zinc/76/96/94/471769694.db2.gz LWECJDOWUPPAGW-NVXWUHKLSA-N 0 3 328.456 2.836 40 0 EFABHN Cc1ccc(-c2nc(NCCN(C)C)ncc2-c2cnccn2)s1 ZINC000012337102 471771420 /nfs/dbraw/zinc/77/14/20/471771420.db2.gz HPEGILUZSWYODH-UHFFFAOYSA-N 0 3 340.456 2.944 40 0 EFABHN COc1ccc(C2(CN3CCC(NC(=O)C4CC4)CC3)CC2)cc1 ZINC000012328418 471771821 /nfs/dbraw/zinc/77/18/21/471771821.db2.gz PHBKWEFUEKJZGK-UHFFFAOYSA-N 0 3 328.456 2.717 40 0 EFABHN Cc1ccc(CS(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000013612311 471834899 /nfs/dbraw/zinc/83/48/99/471834899.db2.gz GAOBDYGWLYBQRF-IAGOWNOFSA-N 0 3 338.517 2.782 40 0 EFABHN CN(C)Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000015360889 471900844 /nfs/dbraw/zinc/90/08/44/471900844.db2.gz XIOSFNXGEZBVBO-UHFFFAOYSA-N 0 3 344.480 2.715 40 0 EFABHN CCOC(=O)[C@H]1CCCN(C[C@@H](O)COc2cc(C)cc(C)c2C)C1 ZINC000017296892 471959741 /nfs/dbraw/zinc/95/97/41/471959741.db2.gz RGKJDDDODPIFDE-ZWKOTPCHSA-N 0 3 349.471 2.627 40 0 EFABHN Cc1ccc(C)c([C@@H](O)CN2CCO[C@@H](CN3CCCCC3)C2)c1 ZINC000019132149 471977103 /nfs/dbraw/zinc/97/71/03/471977103.db2.gz DEMMFZOWNVDXFD-ICSRJNTNSA-N 0 3 332.488 2.524 40 0 EFABHN Cc1cc(N2CCOCC2)cc([C@@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC000019570091 471980989 /nfs/dbraw/zinc/98/09/89/471980989.db2.gz GOEXEKPBHJJQPJ-QGZVFWFLSA-N 0 3 343.471 2.733 40 0 EFABHN Cc1nn([C@H](C)CC(=O)NCCN2CCC(C)CC2)c(C)c1Cl ZINC000019577565 471981510 /nfs/dbraw/zinc/98/15/10/471981510.db2.gz JDQUEVUBSYLFTH-CYBMUJFWSA-N 0 3 340.899 2.953 40 0 EFABHN COc1ccc(CN2CC[C@@H](c3ccc4c(N)ncnc4n3)C2)cc1 ZINC000019704880 471983491 /nfs/dbraw/zinc/98/34/91/471983491.db2.gz RTLVFXRYIWPSSV-CQSZACIVSA-N 0 3 335.411 2.605 40 0 EFABHN COCCOc1ncccc1-c1noc([C@@H]2CCCN2CC(C)C)n1 ZINC000035424993 471996424 /nfs/dbraw/zinc/99/64/24/471996424.db2.gz RPBQZTWKXDKPTP-HNNXBMFYSA-N 0 3 346.431 2.950 40 0 biogenic,in-vitro EFABHN COCCNc1ccc(-c2noc([C@@H]3CCCN3CC(C)C)n2)cn1 ZINC000035425190 471996844 /nfs/dbraw/zinc/99/68/44/471996844.db2.gz WGEUSVPWSRDCMP-HNNXBMFYSA-N 0 3 345.447 2.983 40 0 biogenic,in-vitro EFABHN O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCN2CCC[C@@H]2C1 ZINC000028226202 472217473 /nfs/dbraw/zinc/21/74/73/472217473.db2.gz YLWFLCUILPKKSW-OAHLLOKOSA-N 0 3 344.386 2.918 40 0 EFABHN C[C@@H](Oc1ccccc1)C(=O)N1CCCSC[C@H]1CN1CCCC1 ZINC000085436275 472247853 /nfs/dbraw/zinc/24/78/53/472247853.db2.gz GKHOBZXTFIIKMI-IAGOWNOFSA-N 0 3 348.512 2.884 40 0 EFABHN C[C@@H]1CN(C)CCN1CC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000085468210 472251727 /nfs/dbraw/zinc/25/17/27/472251727.db2.gz KYQMSCAJKFHCIW-OAHLLOKOSA-N 0 3 349.906 2.828 40 0 EFABHN COc1cccc(CC(=O)N2CCCSC[C@@H]2CN2CCCC2)c1 ZINC000085473197 472253316 /nfs/dbraw/zinc/25/33/16/472253316.db2.gz NJRVNAMDZPERLX-KRWDZBQOSA-N 0 3 348.512 2.668 40 0 EFABHN CC(C)COC(=O)N1CCC(N[C@@H](C)c2nnc3ccccn32)CC1 ZINC000089136646 472390953 /nfs/dbraw/zinc/39/09/53/472390953.db2.gz SGDMZEGJDPKCSD-AWEZNQCLSA-N 0 3 345.447 2.637 40 0 EFABHN CN(CCc1cccc(Br)c1)C1CCS(=O)CC1 ZINC000097095416 472444151 /nfs/dbraw/zinc/44/41/51/472444151.db2.gz SCHBZAOKSXWCAW-UHFFFAOYSA-N 0 3 330.291 2.835 40 0 EFABHN Cc1nccn1-c1ccc([C@@H](C)NCC(C)(C)S(C)(=O)=O)cc1 ZINC000097228500 472484042 /nfs/dbraw/zinc/48/40/42/472484042.db2.gz WWFNXKLAUUMVQA-CYBMUJFWSA-N 0 3 335.473 2.655 40 0 EFABHN Cn1cc(-c2cccc(CN[C@@H]3CCCC[C@@H]3S(C)(=O)=O)c2)cn1 ZINC000097230767 472484115 /nfs/dbraw/zinc/48/41/15/472484115.db2.gz QJTVFGUZJBRFLR-MSOLQXFVSA-N 0 3 347.484 2.533 40 0 EFABHN Cn1cc(CCN(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cn1 ZINC000097229082 472484229 /nfs/dbraw/zinc/48/42/29/472484229.db2.gz RHKPHLIRVCMUMC-UHFFFAOYSA-N 0 3 332.423 2.841 40 0 EFABHN CC(C)N1CCN(c2ccc(C(=O)OC3CCOCC3)cc2)CC1 ZINC000097237284 472486416 /nfs/dbraw/zinc/48/64/16/472486416.db2.gz ZZFPWKKTAGADDX-UHFFFAOYSA-N 0 3 332.444 2.553 40 0 EFABHN CC1([C@@H]2CCCN(Cc3ccc(N4CCCC4)nc3)C2)OCCO1 ZINC000097373158 472492835 /nfs/dbraw/zinc/49/28/35/472492835.db2.gz KEEILDOLBXFEQV-QGZVFWFLSA-N 0 3 331.460 2.657 40 0 EFABHN CN(C)CCOc1ccccc1C(=O)Nc1nnc(C2CC2)s1 ZINC000059003278 472621138 /nfs/dbraw/zinc/62/11/38/472621138.db2.gz KDYMQFNYCVBWIO-UHFFFAOYSA-N 0 3 332.429 2.608 40 0 EFABHN CN1CCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216447 472634320 /nfs/dbraw/zinc/63/43/20/472634320.db2.gz SRTFMEMUFVKIDP-INIZCTEOSA-N 0 3 346.475 2.905 40 0 EFABHN CC(C)N1CCN(c2ccc(CNC(=O)OC(C)(C)C)cn2)CC1 ZINC000072225607 472634568 /nfs/dbraw/zinc/63/45/68/472634568.db2.gz FKAOSBZLTCIMPW-UHFFFAOYSA-N 0 3 334.464 2.637 40 0 EFABHN CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccnc1N1CCNCC1 ZINC000072216339 472635012 /nfs/dbraw/zinc/63/50/12/472635012.db2.gz AIDGGMOGTVXPPN-OAHLLOKOSA-N 0 3 332.448 2.563 40 0 EFABHN Cn1ncc(Cl)c1CNC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000131023903 472644384 /nfs/dbraw/zinc/64/43/84/472644384.db2.gz RPOHWKLJCUPUNM-GFCCVEGCSA-N 0 3 342.871 2.810 40 0 EFABHN CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C2CCCC2)C3)C1 ZINC000072390888 472663461 /nfs/dbraw/zinc/66/34/61/472663461.db2.gz PTSAUMVBWAZQIV-HNNXBMFYSA-N 0 3 328.460 2.503 40 0 EFABHN COCCN1CCC[C@H](c2nccnc2-c2ccccc2OC)C1 ZINC000072358499 472663627 /nfs/dbraw/zinc/66/36/27/472663627.db2.gz PCCAWPMMOOOOGW-HNNXBMFYSA-N 0 3 327.428 2.978 40 0 EFABHN O=C(NCCCNCc1cccnc1)c1nc(Cl)ccc1Cl ZINC000120766343 472743290 /nfs/dbraw/zinc/74/32/90/472743290.db2.gz CGQHAMXYGJJCCR-UHFFFAOYSA-N 0 3 339.226 2.693 40 0 EFABHN Cc1csc(=O)n1CCN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000078776786 472769045 /nfs/dbraw/zinc/76/90/45/472769045.db2.gz ZARGOPYAOVGVTO-CQSZACIVSA-N 0 3 342.468 2.974 40 0 EFABHN O=C1OCCN1CCCN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000078776793 472769180 /nfs/dbraw/zinc/76/91/80/472769180.db2.gz SSGQEPDVALSQNZ-CQSZACIVSA-N 0 3 328.416 2.585 40 0 EFABHN CN1CCC[C@@]2(C1)CN(C(=O)c1ccccc1C(F)(F)F)CCO2 ZINC000063527668 472787048 /nfs/dbraw/zinc/78/70/48/472787048.db2.gz SUESVJBFXPQTLJ-MRXNPFEDSA-N 0 3 342.361 2.642 40 0 EFABHN CC(C(=O)N[C@@H](Cc1ccc(F)cc1)c1ccccc1)S(C)(=O)=O ZINC000079040422 472809657 /nfs/dbraw/zinc/80/96/57/472809657.db2.gz XFLPQGOJLRNFSA-DYVFJYSZSA-N 0 3 349.427 2.659 40 0 EFABHN C[C@H](NC1(CNC(=O)c2cccnc2)CCOCC1)c1ccccc1 ZINC000079096114 472818966 /nfs/dbraw/zinc/81/89/66/472818966.db2.gz DOWZHIRMJBDAGA-INIZCTEOSA-N 0 3 339.439 2.711 40 0 EFABHN C[C@H](NC1(CNC(=O)c2ccoc2)CCOCC1)c1ccccc1 ZINC000079096405 472819668 /nfs/dbraw/zinc/81/96/68/472819668.db2.gz LLCDTBMGOFZZTK-HNNXBMFYSA-N 0 3 328.412 2.909 40 0 EFABHN C[C@@H](NC1(CNC(=O)c2ccco2)CCOCC1)c1ccccc1 ZINC000079096359 472820061 /nfs/dbraw/zinc/82/00/61/472820061.db2.gz GZUPJUKCSBOPRX-OAHLLOKOSA-N 0 3 328.412 2.909 40 0 EFABHN CC(=O)N1CCN(C(=O)[C@@H](C)N[C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000073619620 472841109 /nfs/dbraw/zinc/84/11/09/472841109.db2.gz PWEUTSDWPKNYIK-HZPDHXFCSA-N 0 3 345.487 2.540 40 0 EFABHN CC(C)N(C[C@H]1CCCN(CCO)C1)C(=O)OCc1ccccc1 ZINC000079411182 472859928 /nfs/dbraw/zinc/85/99/28/472859928.db2.gz YNNSDPVHILXRRQ-SFHVURJKSA-N 0 3 334.460 2.738 40 0 EFABHN CC(C)[C@H](N)C(=O)N(C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404776 472860005 /nfs/dbraw/zinc/86/00/05/472860005.db2.gz VDSYMKVGFGGHHM-OALUTQOASA-N 0 3 329.488 2.625 40 0 EFABHN CC(C)[C@H](N)C(=O)N(Cc1ccc(Br)cc1)C1CC1 ZINC000079420665 472861810 /nfs/dbraw/zinc/86/18/10/472861810.db2.gz BGBTVOZJKVOVMG-AWEZNQCLSA-N 0 3 325.250 2.923 40 0 EFABHN OCCn1nccc1C1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000092811295 472988318 /nfs/dbraw/zinc/98/83/18/472988318.db2.gz HDOCLGLPRLKXRQ-OWOJBTEDSA-N 0 3 329.419 2.907 40 0 EFABHN CCN1CCN([C@H]2CCN(Cc3cccc(Cl)c3F)C2)CC1 ZINC000093133315 473048783 /nfs/dbraw/zinc/04/87/83/473048783.db2.gz ZMDRICKJSUALLN-HNNXBMFYSA-N 0 3 325.859 2.691 40 0 EFABHN CN1CCN(c2ncc(CN3CCC[C@@]4(CC=CCC4)C3)cn2)CC1 ZINC000093439500 473107022 /nfs/dbraw/zinc/10/70/22/473107022.db2.gz KELSAXKCKBOSSW-FQEVSTJZSA-N 0 3 341.503 2.551 40 0 EFABHN COc1ccccc1CN1CCC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000093683171 473133074 /nfs/dbraw/zinc/13/30/74/473133074.db2.gz YGAXZQZUKPATPB-ZDUSSCGKSA-N 0 3 330.350 2.586 40 0 EFABHN Cc1cc(NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)ccc1C(=O)N(C)C ZINC000110686021 473170828 /nfs/dbraw/zinc/17/08/28/473170828.db2.gz SNPZSEBPSANLSW-RHSMWYFYSA-N 0 3 346.475 2.501 40 0 EFABHN COc1ccc(C[C@H](C)CNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000110695703 473172400 /nfs/dbraw/zinc/17/24/00/473172400.db2.gz GCBRCEYZHIMEER-TXPKVOOTSA-N 0 3 347.503 2.855 40 0 EFABHN C[C@@H]1C[C@H](NCc2nnc3ccccn32)CN(Cc2ccccc2)C1 ZINC000136892898 473183401 /nfs/dbraw/zinc/18/34/01/473183401.db2.gz AEEXITJTXLTQPL-AEFFLSMTSA-N 0 3 335.455 2.730 40 0 EFABHN O=C(N[C@@H]1C[C@H]1C1CCCCC1)N1CCCN(C2CCOCC2)CC1 ZINC000095405366 473198145 /nfs/dbraw/zinc/19/81/45/473198145.db2.gz DYDQLEBLACJIKA-RBUKOAKNSA-N 0 3 349.519 2.852 40 0 EFABHN C[C@H]1C[C@@H](N(C)C(=O)COCC2CC2)CCN1Cc1ccccc1 ZINC000096413966 473392969 /nfs/dbraw/zinc/39/29/69/473392969.db2.gz GSJZLFRBJYMDHX-LPHOPBHVSA-N 0 3 330.472 2.925 40 0 EFABHN NC(=O)[C@H](NC1CCN(c2cccc(F)c2)CC1)c1ccccc1 ZINC000096415086 473394465 /nfs/dbraw/zinc/39/44/65/473394465.db2.gz PTMPWFUFZNOIMA-GOSISDBHSA-N 0 3 327.403 2.611 40 0 EFABHN CN(C)C[C@@H]1CCCCN1C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000096416995 473396490 /nfs/dbraw/zinc/39/64/90/473396490.db2.gz MFRLOGNTKLGLSE-LBPRGKRZSA-N 0 3 345.365 2.579 40 0 EFABHN CN1CCC(NC(=O)Nc2cnn(-c3ccccc3Cl)c2)CC1 ZINC000096422059 473400691 /nfs/dbraw/zinc/40/06/91/473400691.db2.gz PQBABRZKGCTMCP-UHFFFAOYSA-N 0 3 333.823 2.741 40 0 EFABHN CN(C[C@@H]1CCN(C)C1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000096430900 473409644 /nfs/dbraw/zinc/40/96/44/473409644.db2.gz OXPSKNNQQNLIFW-CYBMUJFWSA-N 0 3 340.427 2.638 40 0 EFABHN CC[C@H](Cc1ccccc1)N(C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000096439868 473417560 /nfs/dbraw/zinc/41/75/60/473417560.db2.gz MUABDEMJMCWDES-GUDVDZBRSA-N 0 3 345.487 2.512 40 0 EFABHN COc1ccc(CN2CCC[C@@H](C(=O)NCC(F)(F)F)C2)cc1F ZINC000096441626 473420154 /nfs/dbraw/zinc/42/01/54/473420154.db2.gz PIZODYGCOLNQSV-GFCCVEGCSA-N 0 3 348.340 2.725 40 0 EFABHN Cc1ccccc1NC(=O)CCN1CCC[C@H](NC(=O)C(C)C)C1 ZINC000096443303 473421334 /nfs/dbraw/zinc/42/13/34/473421334.db2.gz DBOSNMQGTFPKOV-INIZCTEOSA-N 0 3 331.460 2.560 40 0 EFABHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(Oc2ccccc2)o1 ZINC000096451208 473427141 /nfs/dbraw/zinc/42/71/41/473427141.db2.gz MVKUORFKUHHYEP-GDBMZVCRSA-N 0 3 342.395 2.665 40 0 EFABHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(Oc2ccccc2)o1 ZINC000096451209 473427991 /nfs/dbraw/zinc/42/79/91/473427991.db2.gz MVKUORFKUHHYEP-ZBFHGGJFSA-N 0 3 342.395 2.665 40 0 EFABHN CCS[C@H]1CCC[C@@H](NC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000096452315 473428597 /nfs/dbraw/zinc/42/85/97/473428597.db2.gz GBQFUICDPAJRPJ-ZBFHGGJFSA-N 0 3 325.522 2.977 40 0 EFABHN CN1CCC(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)CC1 ZINC000113972539 473429927 /nfs/dbraw/zinc/42/99/27/473429927.db2.gz PVAYKXBYFZJWEH-MRXNPFEDSA-N 0 3 349.906 2.762 40 0 EFABHN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@]2(CCOC2)C1 ZINC000096461931 473433351 /nfs/dbraw/zinc/43/33/51/473433351.db2.gz WEVVDIYGADOERQ-UGSOOPFHSA-N 0 3 338.398 2.597 40 0 EFABHN Brc1ccc(CN2CCC(NCc3ncc[nH]3)CC2)cc1 ZINC000096474734 473438728 /nfs/dbraw/zinc/43/87/28/473438728.db2.gz VPAUBGDTIFDVMV-UHFFFAOYSA-N 0 3 349.276 2.926 40 0 EFABHN COc1ccccc1NC(=O)C[C@H](C)NC[C@](C)(O)c1cccs1 ZINC000096478125 473439578 /nfs/dbraw/zinc/43/95/78/473439578.db2.gz FTCFBYACFAOOQJ-UGSOOPFHSA-N 0 3 348.468 2.971 40 0 EFABHN C[C@H](NC[C@H]1Cc2ccccc2O1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096476510 473439827 /nfs/dbraw/zinc/43/98/27/473439827.db2.gz PMHZTJWRBTWSNF-SWLSCSKDSA-N 0 3 349.427 2.884 40 0 EFABHN O=C([C@@H]1CCCN(Cc2coc3ccccc23)C1)N1CCOCC1 ZINC000096489563 473446282 /nfs/dbraw/zinc/44/62/82/473446282.db2.gz DFIFRVXFIOXWPL-OAHLLOKOSA-N 0 3 328.412 2.504 40 0 EFABHN CCc1nc(CCN[C@H]2CCCC[C@H]2S(C)(=O)=O)sc1C ZINC000096491631 473447746 /nfs/dbraw/zinc/44/77/46/473447746.db2.gz WXRUSMMNUSJSMZ-UONOGXRCSA-N 0 3 330.519 2.502 40 0 EFABHN CCc1nc(CCN[C@@H]2CCCC[C@H]2S(C)(=O)=O)sc1C ZINC000096491629 473447952 /nfs/dbraw/zinc/44/79/52/473447952.db2.gz WXRUSMMNUSJSMZ-ZIAGYGMSSA-N 0 3 330.519 2.502 40 0 EFABHN C[C@@H](CN[C@@H](CO)c1cnn(C)c1)c1cccc(Br)c1 ZINC000096493843 473448933 /nfs/dbraw/zinc/44/89/33/473448933.db2.gz ZQKWLJGPAFCJPM-NHYWBVRUSA-N 0 3 338.249 2.609 40 0 EFABHN C[C@@H](CN[C@H](CO)c1cnn(C)c1)c1cccc(Br)c1 ZINC000096493847 473449670 /nfs/dbraw/zinc/44/96/70/473449670.db2.gz ZQKWLJGPAFCJPM-XHDPSFHLSA-N 0 3 338.249 2.609 40 0 EFABHN COc1c(CN[C@H]2CCN(c3cccc(Cl)c3)C2)c(C)nn1C ZINC000096494385 473450097 /nfs/dbraw/zinc/45/00/97/473450097.db2.gz CQWQQFPFHOKIFN-AWEZNQCLSA-N 0 3 334.851 2.759 40 0 EFABHN C[C@H]1CCC[C@H]1NC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000096500864 473452878 /nfs/dbraw/zinc/45/28/78/473452878.db2.gz CPOZXWSTQPAXDA-KFKAGJAMSA-N 0 3 345.487 2.631 40 0 EFABHN C[C@H](Cn1cncn1)N[C@H](C)c1ccc(Br)cc1F ZINC000126369944 473511942 /nfs/dbraw/zinc/51/19/42/473511942.db2.gz CREVIBIUOQMETR-NXEZZACHSA-N 0 3 327.201 2.919 40 0 EFABHN C[C@@H](Cn1cncn1)N[C@@H](C)c1ccc(Br)cc1F ZINC000126369207 473512002 /nfs/dbraw/zinc/51/20/02/473512002.db2.gz CREVIBIUOQMETR-UWVGGRQHSA-N 0 3 327.201 2.919 40 0 EFABHN C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1cccc(O)c1 ZINC000153250814 473615541 /nfs/dbraw/zinc/61/55/41/473615541.db2.gz XBSZZRFPFOLRKN-OAHLLOKOSA-N 0 3 332.444 2.605 40 0 EFABHN CCNC(=O)N1CC[C@@H](N[C@@H](C)c2cc(Br)cs2)C1 ZINC000194113418 473844307 /nfs/dbraw/zinc/84/43/07/473844307.db2.gz GWLYRCVVHRXJPS-GXSJLCMTSA-N 0 3 346.294 2.965 40 0 EFABHN CCNC(=O)N1CC[C@H](N[C@@H](C)c2cc(Br)cs2)C1 ZINC000194113397 473844355 /nfs/dbraw/zinc/84/43/55/473844355.db2.gz GWLYRCVVHRXJPS-ONGXEEELSA-N 0 3 346.294 2.965 40 0 EFABHN COC[C@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000194627704 473928133 /nfs/dbraw/zinc/92/81/33/473928133.db2.gz NAKSYSRMAGIPPI-CVEARBPZSA-N 0 3 337.851 2.517 40 0 EFABHN Cc1cc(C)c(C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)o1 ZINC000188181899 474011130 /nfs/dbraw/zinc/01/11/30/474011130.db2.gz HZFSQLCAOODZBT-FQEVSTJZSA-N 0 3 342.439 2.605 40 0 EFABHN Cc1ncsc1CN(C)C[C@H]1CCN([C@@H](C)c2cnccn2)C1 ZINC000195248720 474039748 /nfs/dbraw/zinc/03/97/48/474039748.db2.gz WBYZORUJUFCYPI-LSDHHAIUSA-N 0 3 331.489 2.756 40 0 EFABHN C[C@H](Cc1ccc(Br)cc1)NCc1cc(C(N)=O)co1 ZINC000188414388 474087459 /nfs/dbraw/zinc/08/74/59/474087459.db2.gz TZJCDZOWFPSARL-SNVBAGLBSA-N 0 3 337.217 2.862 40 0 EFABHN CC(C)(C)[C@H](N)C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000195543396 474091314 /nfs/dbraw/zinc/09/13/14/474091314.db2.gz YEOLRONMJRGIAS-ZIAGYGMSSA-N 0 3 328.815 2.752 40 0 EFABHN CC[C@@H](CN[C@H]1CCCS(=O)(=O)C1)Oc1ccccc1Cl ZINC000195549848 474093190 /nfs/dbraw/zinc/09/31/90/474093190.db2.gz HJKMKTIOPNQAAW-STQMWFEESA-N 0 3 331.865 2.664 40 0 EFABHN CN(C)[C@@H](CN[C@@H]1CCCOc2cc(F)ccc21)c1cnn(C)c1 ZINC000182086556 474096873 /nfs/dbraw/zinc/09/68/73/474096873.db2.gz KHDXRSRINFFEAL-SJORKVTESA-N 0 3 332.423 2.665 40 0 EFABHN Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223253065 474182947 /nfs/dbraw/zinc/18/29/47/474182947.db2.gz BWFULUAQLLIRFM-LSDHHAIUSA-N 0 3 346.525 2.986 40 0 EFABHN COc1ccc2cc(S(=O)(=O)NCCCN3CCCC3)ccc2c1 ZINC000223695462 474188091 /nfs/dbraw/zinc/18/80/91/474188091.db2.gz CYZUECCZIUSNLW-UHFFFAOYSA-N 0 3 348.468 2.613 40 0 EFABHN COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@H]2CCCOC2)cc1 ZINC000225423111 474211774 /nfs/dbraw/zinc/21/17/74/474211774.db2.gz HPQBTNJYRQYEOM-APWZRJJASA-N 0 3 346.471 2.765 40 0 EFABHN COC(=O)C1CCC(N[C@H](c2nnc3ccccn32)C(C)C)CC1 ZINC000225423992 474212424 /nfs/dbraw/zinc/21/24/24/474212424.db2.gz ITBZYZPEEOGIOO-XUJLQICISA-N 0 3 330.432 2.748 40 0 EFABHN CNCC(=O)N[C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000225488137 474218085 /nfs/dbraw/zinc/21/80/85/474218085.db2.gz GHNPTJGEEYQVHC-CYBMUJFWSA-N 0 3 331.441 2.532 40 0 EFABHN O=C(CC1CC1)NCC[C@H]1Cn2nccc2CN(C2CCCC2)C1 ZINC000247865750 474218399 /nfs/dbraw/zinc/21/83/99/474218399.db2.gz OLEDFUOXOGZVCW-MRXNPFEDSA-N 0 3 330.476 2.564 40 0 EFABHN CCN(CC)[C@H](CNc1nc2c(cnn2C)c(N)n1)c1ccsc1 ZINC000225511156 474219354 /nfs/dbraw/zinc/21/93/54/474219354.db2.gz PNZKFQKNARSOMO-CYBMUJFWSA-N 0 3 345.476 2.502 40 0 EFABHN c1ccc2c(c1)OC[C@H](CN[C@@H](c1cccnc1)C1CCOCC1)O2 ZINC000225573070 474226582 /nfs/dbraw/zinc/22/65/82/474226582.db2.gz JKYUMTOANXVWKX-FXAWDEMLSA-N 0 3 340.423 2.979 40 0 EFABHN Cc1cc(S(=O)(=O)NCCCN2CCCCCC2)ccc1F ZINC000225604005 474229343 /nfs/dbraw/zinc/22/93/43/474229343.db2.gz RCRUHJANDZXGBR-UHFFFAOYSA-N 0 3 328.453 2.679 40 0 EFABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2ccccc2F)CC1 ZINC000226258718 474239880 /nfs/dbraw/zinc/23/98/80/474239880.db2.gz FXSODZANGYNPAM-UHFFFAOYSA-N 0 3 342.418 2.802 40 0 EFABHN Cc1ccc(CN2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC000248070639 474254915 /nfs/dbraw/zinc/25/49/15/474254915.db2.gz GESCCDCBNGHGCD-ROUUACIJSA-N 0 3 343.496 2.927 40 0 EFABHN CN(C)C[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2ccnn21 ZINC000248138481 474267839 /nfs/dbraw/zinc/26/78/39/474267839.db2.gz SNHLWKCAODEHPW-OAHLLOKOSA-N 0 3 340.452 2.857 40 0 EFABHN O=C(Nc1ccc(F)cc1)C1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000189372762 474376497 /nfs/dbraw/zinc/37/64/97/474376497.db2.gz QNSVDGLSSZIJKJ-AWEZNQCLSA-N 0 3 348.340 2.790 40 0 EFABHN COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000242548900 474560259 /nfs/dbraw/zinc/56/02/59/474560259.db2.gz MANRXEBQSVJHMS-GUDVDZBRSA-N 0 3 345.464 2.526 40 0 EFABHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1cc2ccccn2c1 ZINC000245343883 474574166 /nfs/dbraw/zinc/57/41/66/474574166.db2.gz WGZOUMLDLMNRQY-LZQZEXGQSA-N 0 3 341.455 2.559 40 0 EFABHN Cc1nc(-c2cccc(CNC(=O)[C@H](C)N3[C@H](C)CC[C@H]3C)c2)n[nH]1 ZINC000245339093 474575114 /nfs/dbraw/zinc/57/51/14/474575114.db2.gz QKUKMWDIVDITBL-MCIONIFRSA-N 0 3 341.459 2.658 40 0 EFABHN CC[C@H](COc1ccccc1)NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000252487601 474672378 /nfs/dbraw/zinc/67/23/78/474672378.db2.gz ZJEVVRJGGITSDO-JFIYKMOQSA-N 0 3 333.476 2.826 40 0 EFABHN COC(=O)CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000252511302 474689012 /nfs/dbraw/zinc/68/90/12/474689012.db2.gz ZXGVCFUBRPSVAM-WBVHZDCISA-N 0 3 346.471 2.745 40 0 EFABHN CC1(C)[C@H](N[C@@H]2CCN(c3ccccc3Cl)C2=O)[C@H]2CCO[C@H]21 ZINC000252586670 474699691 /nfs/dbraw/zinc/69/96/91/474699691.db2.gz RQZNFBLJHSWOJI-UIBBOPPKSA-N 0 3 334.847 2.848 40 0 EFABHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC(F)(F)F ZINC000253370185 474728218 /nfs/dbraw/zinc/72/82/18/474728218.db2.gz NMDYBXOFIGTFMM-GXTWGEPZSA-N 0 3 329.366 2.759 40 0 EFABHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC(F)(F)F ZINC000253370186 474728684 /nfs/dbraw/zinc/72/86/84/474728684.db2.gz NMDYBXOFIGTFMM-TZMCWYRMSA-N 0 3 329.366 2.759 40 0 EFABHN Cn1cc(CCC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)cn1 ZINC000253419155 474747652 /nfs/dbraw/zinc/74/76/52/474747652.db2.gz KAURBZDLHIRLQL-MAUKXSAKSA-N 0 3 346.500 2.614 40 0 EFABHN CC(C)CNC(=O)c1nc2c(s1)C[C@@H](NCc1ccoc1)CC2 ZINC000306129399 474807980 /nfs/dbraw/zinc/80/79/80/474807980.db2.gz IBWQTEVDXCFGGF-ZDUSSCGKSA-N 0 3 333.457 2.769 40 0 EFABHN Cc1nc(CN2C(=O)c3cccn3[C@@H]3CN(CC4CC4)C[C@@H]32)cs1 ZINC000306132910 474809994 /nfs/dbraw/zinc/80/99/94/474809994.db2.gz LVWYOHUSXZWGLP-SJORKVTESA-N 0 3 342.468 2.544 40 0 EFABHN CCOc1ccc(CN2CCC(c3nnc4ncccn43)CC2)cc1 ZINC000306139868 474811071 /nfs/dbraw/zinc/81/10/71/474811071.db2.gz UCZAJHBQYOOTEB-UHFFFAOYSA-N 0 3 337.427 2.903 40 0 EFABHN Cc1nnc2n1C1(CCN(Cc3cc(C)cc(C)c3)CC1)CN(C)C2 ZINC000306140709 474811269 /nfs/dbraw/zinc/81/12/69/474811269.db2.gz VBMNUJVTVPYPFE-UHFFFAOYSA-N 0 3 339.487 2.640 40 0 EFABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2ccccc2)C1 ZINC000257227334 474928137 /nfs/dbraw/zinc/92/81/37/474928137.db2.gz FOUULAWTVNFINA-HXUWFJFHSA-N 0 3 342.414 2.535 40 0 EFABHN CN(C)Cc1ccc(C(=O)N2CCC[C@H](Cc3cc[nH]n3)C2)cc1 ZINC000257282358 474929523 /nfs/dbraw/zinc/92/95/23/474929523.db2.gz OTKYTNRKVLHBEW-MRXNPFEDSA-N 0 3 326.444 2.566 40 0 EFABHN C[C@]12CCCCN(CC3=Cc4ccccc4OC3)[C@H]1CCC(=O)N2 ZINC000257286802 474931799 /nfs/dbraw/zinc/93/17/99/474931799.db2.gz PNCHWGFURFCJPL-ICSRJNTNSA-N 0 3 326.440 2.986 40 0 EFABHN CN(C(=O)c1[nH]nc2ccccc21)[C@H]1CCCN(c2ccccn2)C1 ZINC000257288802 474935286 /nfs/dbraw/zinc/93/52/86/474935286.db2.gz PVTWZDRBSIMKCF-AWEZNQCLSA-N 0 3 335.411 2.699 40 0 EFABHN CNc1ncccc1CN1CCC[C@@H](c2ccc3cnn(C)c3n2)C1 ZINC000257291057 474935507 /nfs/dbraw/zinc/93/55/07/474935507.db2.gz QFKQCDGVVFBQFZ-OAHLLOKOSA-N 0 3 336.443 2.785 40 0 EFABHN CNc1ncccc1CN1CC[C@@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257291459 474937071 /nfs/dbraw/zinc/93/70/71/474937071.db2.gz QHANIWJDCZKHHG-OAHLLOKOSA-N 0 3 325.460 2.882 40 0 EFABHN Cc1c[nH]c(-c2cncc([C@@H]3CCCN(Cc4cccnc4)C3)n2)n1 ZINC000257296801 474937738 /nfs/dbraw/zinc/93/77/38/474937738.db2.gz RELVKPPAVWKCKC-MRXNPFEDSA-N 0 3 334.427 2.950 40 0 EFABHN Cc1csc(Nc2nccnc2C2CCN([C@@H]3CCOC3)CC2)n1 ZINC000257310836 474946978 /nfs/dbraw/zinc/94/69/78/474946978.db2.gz UGVFQHKFDCQKOK-CQSZACIVSA-N 0 3 345.472 2.953 40 0 EFABHN Nc1cc(CC[C@@H]2CN(Cc3ccc4cc[nH]c4c3)CCO2)ccn1 ZINC000257325768 474955204 /nfs/dbraw/zinc/95/52/04/474955204.db2.gz WUIIKLITDAEHEU-GOSISDBHSA-N 0 3 336.439 2.979 40 0 EFABHN NCc1cnn(-c2ccccc2C(=O)NCc2cccc(Cl)c2)c1 ZINC000257327791 474958114 /nfs/dbraw/zinc/95/81/14/474958114.db2.gz XCTKYIJEOFVIQQ-UHFFFAOYSA-N 0 3 340.814 2.914 40 0 EFABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3ccc4ccccc4n3)CCO2)n1 ZINC000257336992 474961350 /nfs/dbraw/zinc/96/13/50/474961350.db2.gz YQXPBYDXPCXVDE-IBGZPJMESA-N 0 3 348.406 2.734 40 0 EFABHN Cn1nccc1CN1CCN(C)C[C@H](Cc2cnc3ccccc3c2)C1 ZINC000257336995 474961380 /nfs/dbraw/zinc/96/13/80/474961380.db2.gz YQXQDBJRSJURSU-SFHVURJKSA-N 0 3 349.482 2.575 40 0 EFABHN Cc1nc([C@H]2CCCN2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000257337981 474961671 /nfs/dbraw/zinc/96/16/71/474961671.db2.gz YVHJDLSKRUNMFS-MRXNPFEDSA-N 0 3 340.402 2.828 40 0 EFABHN Nc1nccnc1C[C@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000257337582 474962261 /nfs/dbraw/zinc/96/22/61/474962261.db2.gz YTKALKUFNZTCAJ-OAHLLOKOSA-N 0 3 348.454 2.904 40 0 EFABHN Cn1cc(CN2CCC3(CC2)OCCC[C@H]3O)c2cc(F)ccc21 ZINC000257343611 474964820 /nfs/dbraw/zinc/96/48/20/474964820.db2.gz ZTRYWJSODAFPHH-GOSISDBHSA-N 0 3 332.419 2.823 40 0 EFABHN COc1ccccc1[C@H]1CCC[C@@H](C)N1CCN1C(=O)CCC1=O ZINC000390834518 476805633 /nfs/dbraw/zinc/80/56/33/476805633.db2.gz ABLUKXQUONWADW-GDBMZVCRSA-N 0 3 330.428 2.760 40 0 EFABHN CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(C3CCC3)C[C@H]21 ZINC000514290333 479023097 /nfs/dbraw/zinc/02/30/97/479023097.db2.gz XUUIXNRJESUTKO-QUCCMNQESA-N 0 3 349.434 2.818 40 0 biogenic,in-vitro EFABHN C[C@@H]1Cc2nnc(COc3cncc(Cl)c3)n2CCN1C1CCC1 ZINC000585097511 479281749 /nfs/dbraw/zinc/28/17/49/479281749.db2.gz KVQYZEPADMHJAO-GFCCVEGCSA-N 0 3 347.850 2.705 40 0 EFABHN Cc1ncc(CN2CCC[C@]3(CCC(=O)N3CCF)CC2)s1 ZINC000585099940 479282366 /nfs/dbraw/zinc/28/23/66/479282366.db2.gz ARRTVDLFWZSXJB-INIZCTEOSA-N 0 3 325.453 2.768 40 0 EFABHN COCCN1CC[C@@]12CCCN(C(=O)c1nccc3ccccc31)C2 ZINC000585102300 479284139 /nfs/dbraw/zinc/28/41/39/479284139.db2.gz WPFFNGGVHWMXEF-HXUWFJFHSA-N 0 3 339.439 2.562 40 0 EFABHN CN(Cc1cccnc1)C[C@@H]1CCC2(CN(C3CCCC3)C2)OC1 ZINC000585103267 479284195 /nfs/dbraw/zinc/28/41/95/479284195.db2.gz ANIPLZYCANRVPT-SFHVURJKSA-N 0 3 329.488 2.937 40 0 EFABHN CN(Cc1cccnc1)C[C@H]1CCC2(CN(C3CCCC3)C2)OC1 ZINC000585103254 479284224 /nfs/dbraw/zinc/28/42/24/479284224.db2.gz ANIPLZYCANRVPT-GOSISDBHSA-N 0 3 329.488 2.937 40 0 EFABHN CC(=O)N1C[C@H](COCC2CC2)C2(C1)CCN(Cc1ccco1)CC2 ZINC000585102892 479284335 /nfs/dbraw/zinc/28/43/35/479284335.db2.gz GXSKOENCNDAAQG-GOSISDBHSA-N 0 3 346.471 2.767 40 0 EFABHN CN1CC[C@H](COCc2ccncc2)CC12CN(CC1CCC1)C2 ZINC000585102661 479284809 /nfs/dbraw/zinc/28/48/09/479284809.db2.gz FFZPIUZWMAYPRI-IBGZPJMESA-N 0 3 329.488 2.795 40 0 EFABHN CN(Cc1cccnc1)C[C@@H]1CCC2(CN(Cc3ccco3)C2)OC1 ZINC000585104004 479284971 /nfs/dbraw/zinc/28/49/71/479284971.db2.gz FLWZAQWAUZUIFF-SFHVURJKSA-N 0 3 341.455 2.788 40 0 EFABHN COCC[C@H]1CCOC12CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000585102837 479285190 /nfs/dbraw/zinc/28/51/90/479285190.db2.gz KCLDXJYZAYXEFX-INIZCTEOSA-N 0 3 333.428 2.823 40 0 EFABHN CC(C)[C@H](NCc1cn(C)nc1-c1cccnc1)[C@H](O)C(F)(F)F ZINC000585139974 479297997 /nfs/dbraw/zinc/29/79/97/479297997.db2.gz COEZMNNCXKCMBE-ZFWWWQNUSA-N 0 3 342.365 2.520 40 0 EFABHN Nc1nc2nc(C3CCN(Cc4ccccn4)CC3)ccc2s1 ZINC000585179612 479302346 /nfs/dbraw/zinc/30/23/46/479302346.db2.gz IYBFLKXSIYLTGV-UHFFFAOYSA-N 0 3 325.441 3.048 40 0 EFABHN CN1CCN(Cc2c[nH]cn2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000585182505 479303485 /nfs/dbraw/zinc/30/34/85/479303485.db2.gz NYQTWIJLNUQBEA-MRXNPFEDSA-N 0 3 335.455 2.564 40 0 EFABHN CCC(CC)N1CCOC[C@](O)(COc2ccc(Cl)cc2)C1 ZINC000585284327 479308198 /nfs/dbraw/zinc/30/81/98/479308198.db2.gz WYMURISXTXCMAV-KRWDZBQOSA-N 0 3 327.852 2.971 40 0 EFABHN OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)CN1Cc1ccc2[nH]ccc2c1 ZINC000585291753 479310469 /nfs/dbraw/zinc/31/04/69/479310469.db2.gz CDKUHIFDFSAOIL-MISYRCLQSA-N 0 3 340.398 2.628 40 0 EFABHN COc1ccc(C(=O)N2CCCN(C3CCSCC3)CC2)cc1 ZINC000575605148 479449500 /nfs/dbraw/zinc/44/95/00/479449500.db2.gz AEBNWRPOFXXIAK-UHFFFAOYSA-N 0 3 334.485 2.739 40 0 EFABHN CN(C)C[C@H](NC(=O)NCc1nccs1)c1ccc(Cl)cc1 ZINC000225788251 535951729 /nfs/dbraw/zinc/95/17/29/535951729.db2.gz DSHGMSGQTXFHAL-ZDUSSCGKSA-N 0 3 338.864 2.899 40 0 EFABHN CN1C(=O)CO[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000257221914 536314512 /nfs/dbraw/zinc/31/45/12/536314512.db2.gz DRCOPLPZFLCWCN-GJZGRUSLSA-N 0 3 342.361 2.527 40 0 EFABHN CN1CCC(NC(=S)Nc2ccc(Br)cc2F)CC1 ZINC000225800028 536343829 /nfs/dbraw/zinc/34/38/29/536343829.db2.gz JDHCKGKOUKPSGT-UHFFFAOYSA-N 0 3 346.269 2.969 40 0 EFABHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000195561656 536593367 /nfs/dbraw/zinc/59/33/67/536593367.db2.gz KLVIAGOJILPPTJ-BHYGNILZSA-N 0 3 325.474 2.704 40 0 EFABHN O=S(=O)(NC[C@H]1CCCN(Cc2ccccc2C2CC2)C1)C1CC1 ZINC000585084662 564133969 /nfs/dbraw/zinc/13/39/69/564133969.db2.gz JDHCMIRYIXKAPH-OAHLLOKOSA-N 0 3 348.512 2.858 40 0 EFABHN c1ccc(-c2nnc3n2C[C@H]2CC[C@@H](C3)N2Cc2cccnc2)cc1 ZINC000675020423 1099653895 /nfs/dbraw/zinc/65/38/95/1099653895.db2.gz RLADKWXPDCFKPD-ZWKOTPCHSA-N 0 3 331.423 2.929 40 0 EFABHN Cc1ccc(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)o1 ZINC000174857932 231326400 /nfs/dbraw/zinc/32/64/00/231326400.db2.gz KYNDUJXBGLVBRW-GOSISDBHSA-N 0 3 342.439 2.763 40 0 EFABHN O=C(CC1CC1)N[C@@H]1CN(Cc2cccs2)C[C@@H]2CCCO[C@H]12 ZINC000097953467 219064016 /nfs/dbraw/zinc/06/40/16/219064016.db2.gz UCIKFMLUCIGCSS-LESCRADOSA-N 0 3 334.485 2.644 40 0 EFABHN COCc1cc(C[C@@H]2C[C@H](NCc3ccc(CO)o3)C2(C)C)no1 ZINC000067890245 215242446 /nfs/dbraw/zinc/24/24/46/215242446.db2.gz CHCJHFDLEMOTCM-PXAZEXFGSA-N 0 3 334.416 2.653 40 0 biogenic,in-vitro EFABHN C[C@H](NC(=O)NCC1CCN(c2ccncc2)CC1)c1nccs1 ZINC000180334302 233834487 /nfs/dbraw/zinc/83/44/87/233834487.db2.gz GKCRGLFEYWFAKV-ZDUSSCGKSA-N 0 3 345.472 2.815 40 0 EFABHN CC(C)[C@@H](NCC(=O)NCc1ccco1)c1ccc2c(c1)OCCO2 ZINC000040466261 213309375 /nfs/dbraw/zinc/30/93/75/213309375.db2.gz CTNCNYPBNIPOEA-LJQANCHMSA-N 0 3 344.411 2.654 40 0 EFABHN CN1CCc2nc([C@H]3CCCCN3C(=O)c3ccccc3)ncc2C1 ZINC000019590305 283177212 /nfs/dbraw/zinc/17/72/12/283177212.db2.gz SBLITLHHYWGWSZ-GOSISDBHSA-N 0 3 336.439 2.832 40 0 EFABHN O=C1CCCN1c1ccc(CN2CC[C@](O)(c3ccccc3)C2)cc1 ZINC000036743619 213115833 /nfs/dbraw/zinc/11/58/33/213115833.db2.gz CMDKBESPMMDBNK-OAQYLSRUSA-N 0 3 336.435 2.907 40 0 EFABHN COCCOc1ccnc(-c2noc([C@@H]3CCCN3CC(C)C)n2)c1 ZINC000035425080 213027511 /nfs/dbraw/zinc/02/75/11/213027511.db2.gz IRMUAXNXODOANM-INIZCTEOSA-N 0 3 346.431 2.950 40 0 biogenic,in-vitro EFABHN Cc1csc(C(=O)N2CCC(CN3CCN(C)C[C@H]3C)CC2)c1 ZINC000107286058 219760215 /nfs/dbraw/zinc/76/02/15/219760215.db2.gz HXIOKPOLMKOWHF-OAHLLOKOSA-N 0 3 335.517 2.545 40 0 EFABHN CCc1nccn1-c1cncc([C@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072355440 216164777 /nfs/dbraw/zinc/16/47/77/216164777.db2.gz ITGLBLUYPJMDHA-KRWDZBQOSA-N 0 3 348.454 2.999 40 0 EFABHN COCCN1CCC[C@@H](c2nccnc2-c2ccccc2OC)C1 ZINC000072358500 216166188 /nfs/dbraw/zinc/16/61/88/216166188.db2.gz PCCAWPMMOOOOGW-OAHLLOKOSA-N 0 3 327.428 2.978 40 0 EFABHN Cc1cc(CCC(=O)NCc2cccnc2)cc([C@@H]2CCCN2C)n1 ZINC000072360550 216166872 /nfs/dbraw/zinc/16/68/72/216166872.db2.gz LHELXZVTUFHWTH-IBGZPJMESA-N 0 3 338.455 2.801 40 0 EFABHN Cc1nccn1-c1cncc([C@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072355423 216164454 /nfs/dbraw/zinc/16/44/54/216164454.db2.gz DPSMOCSTKPTINE-INIZCTEOSA-N 0 3 334.427 2.745 40 0 EFABHN NCC(=O)N1CCC[C@H](c2nccnc2Oc2ccc(Cl)cc2)C1 ZINC000072363210 216170034 /nfs/dbraw/zinc/17/00/34/216170034.db2.gz DVDXJKCNJWCDOL-LBPRGKRZSA-N 0 3 346.818 2.587 40 0 EFABHN COCCN1CCC[C@H](c2nccnc2Nc2cccc(C)n2)C1 ZINC000072361797 216167775 /nfs/dbraw/zinc/16/77/75/216167775.db2.gz YLFDLZVFZFXKBM-HNNXBMFYSA-N 0 3 327.432 2.749 40 0 EFABHN CN1CCC[C@H](Cc2cnc(C(=O)N3CCCCCCC3)cn2)C1 ZINC000072369349 216175887 /nfs/dbraw/zinc/17/58/87/216175887.db2.gz URMYALMELUKNRL-MRXNPFEDSA-N 0 3 330.476 2.767 40 0 EFABHN COCCN1CCCC[C@H]1c1nc(N)ncc1-c1cccc(OC)c1 ZINC000072376822 216178581 /nfs/dbraw/zinc/17/85/81/216178581.db2.gz TXILDFVFAZTFAI-KRWDZBQOSA-N 0 3 342.443 2.908 40 0 EFABHN O=c1cc([C@@H]2CCC[N@H+](Cc3ccco3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392889 216191001 /nfs/dbraw/zinc/19/10/01/216191001.db2.gz NMBOUQXGZNCFJL-OAHLLOKOSA-N 0 3 336.395 2.805 40 0 EFABHN O=c1cc([C@@H]2CCC[N@@H+](Cc3ccco3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392889 216191005 /nfs/dbraw/zinc/19/10/05/216191005.db2.gz NMBOUQXGZNCFJL-OAHLLOKOSA-N 0 3 336.395 2.805 40 0 EFABHN c1cc(CN2CCC[C@@H](Cc3ccc(N4CCCC4)nn3)C2)ccn1 ZINC000072387307 216186664 /nfs/dbraw/zinc/18/66/64/216186664.db2.gz KJXFSHCDGBJWSF-SFHVURJKSA-N 0 3 337.471 2.927 40 0 EFABHN C[C@@H]1CCc2ccccc2N1CCC(=O)NC1CCN(C2CC2)CC1 ZINC000072844784 216314596 /nfs/dbraw/zinc/31/45/96/216314596.db2.gz NMMWWIOMEIEGOU-MRXNPFEDSA-N 0 3 341.499 2.961 40 0 EFABHN COCCN1CCC(CNC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000023127923 212352136 /nfs/dbraw/zinc/35/21/36/212352136.db2.gz KBYCEMWXONCGMS-UHFFFAOYSA-N 0 3 344.377 2.794 40 0 EFABHN COc1ccc(CC(=O)NCC2CCN(Cc3ccco3)CC2)cc1 ZINC000023127997 212351718 /nfs/dbraw/zinc/35/17/18/212351718.db2.gz FAKOJDYBVKPIBU-UHFFFAOYSA-N 0 3 342.439 2.859 40 0 EFABHN COc1ccccc1NC(=O)C[C@H](C)NC[C@@H](c1ccco1)N(C)C ZINC000022787566 212325341 /nfs/dbraw/zinc/32/53/41/212325341.db2.gz WIVRCHJUARYGOA-HOCLYGCPSA-N 0 3 345.443 2.898 40 0 EFABHN COc1ccccc1NC(=O)C[C@@H](C)NC[C@H](c1ccco1)N(C)C ZINC000022787586 212324643 /nfs/dbraw/zinc/32/46/43/212324643.db2.gz WIVRCHJUARYGOA-GDBMZVCRSA-N 0 3 345.443 2.898 40 0 EFABHN CCc1ncc(NC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000193852563 240335067 /nfs/dbraw/zinc/33/50/67/240335067.db2.gz OVQFRQYAYDHEOO-MRXNPFEDSA-N 0 3 339.443 2.683 40 0 EFABHN CN(C)[C@H]1CCCN(C(=O)NCCc2ccccc2OC(F)F)C1 ZINC000195577838 241025642 /nfs/dbraw/zinc/02/56/42/241025642.db2.gz XCDWWROYWGUQCP-AWEZNQCLSA-N 0 3 341.402 2.566 40 0 EFABHN COC[C@@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218443930 241322655 /nfs/dbraw/zinc/32/26/55/241322655.db2.gz CMCXQBLTVDMMBV-FHWLQOOXSA-N 0 3 345.464 2.526 40 0 EFABHN C[C@H]1C[C@H](NC(=O)NCCC2(O)CCC2)CCN1Cc1ccccc1 ZINC000241795534 243003939 /nfs/dbraw/zinc/00/39/39/243003939.db2.gz RZZPUBTTXNAANK-FUHWJXTLSA-N 0 3 345.487 2.644 40 0 EFABHN CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN1CCN(C)CC1 ZINC000020412276 212126515 /nfs/dbraw/zinc/12/65/15/212126515.db2.gz ZUKCIQSRUJAJJS-QQTQMKHKSA-N 0 3 332.488 2.692 40 0 biogenic EFABHN c1cncc(C[C@@H]2CCCN(Cc3ccnc(N4CCCC4)n3)C2)c1 ZINC000257206180 244134622 /nfs/dbraw/zinc/13/46/22/244134622.db2.gz BCEVBWBNBOHBTE-SFHVURJKSA-N 0 3 337.471 2.927 40 0 EFABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2ccsc2)C1 ZINC000257207449 244139382 /nfs/dbraw/zinc/13/93/82/244139382.db2.gz BHUFSNZWQKDDBU-SFHVURJKSA-N 0 3 348.443 2.596 40 0 EFABHN Cc1ncsc1CN1CCC(Cc2cnc(CN(C)C)cn2)CC1 ZINC000257222535 244187537 /nfs/dbraw/zinc/18/75/37/244187537.db2.gz DTRBQARXCHLWBK-UHFFFAOYSA-N 0 3 345.516 2.758 40 0 EFABHN Cc1cn(C)c([C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257227252 244203342 /nfs/dbraw/zinc/20/33/42/244203342.db2.gz FOIJERFKPXTDRE-INIZCTEOSA-N 0 3 327.428 2.879 40 0 EFABHN Cn1nccc1CN1CCN(C)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257231577 244214889 /nfs/dbraw/zinc/21/48/89/244214889.db2.gz GHIQQZJVUFQLJG-KRWDZBQOSA-N 0 3 349.482 2.575 40 0 EFABHN c1cnc(Nc2cc(C3CCN([C@H]4CCOC4)CC3)ccn2)cn1 ZINC000257220449 244181012 /nfs/dbraw/zinc/18/10/12/244181012.db2.gz DKWOUIAILSYZIO-INIZCTEOSA-N 0 3 325.416 2.584 40 0 EFABHN CC(=O)Nc1nc(C)c(-c2cncc([C@H]3CCCN(C)C3)n2)s1 ZINC000257244779 244253436 /nfs/dbraw/zinc/25/34/36/244253436.db2.gz IMSFWHCKXCXFIM-LBPRGKRZSA-N 0 3 331.445 2.676 40 0 EFABHN Nc1cc(CC[C@@H]2CN(Cc3cccc4[nH]ccc43)CCO2)ccn1 ZINC000257234065 244223151 /nfs/dbraw/zinc/22/31/51/244223151.db2.gz GRXOKROWBINHHB-QGZVFWFLSA-N 0 3 336.439 2.979 40 0 EFABHN Cn1ccnc1-c1cc(CC2CCN(Cc3cccnc3)CC2)ncn1 ZINC000257239840 244238860 /nfs/dbraw/zinc/23/88/60/244238860.db2.gz HRAWKKSYLCMNGB-UHFFFAOYSA-N 0 3 348.454 2.727 40 0 EFABHN COc1ccc([C@@H]2CNCCN2Cc2nc3ccccc3n2C)cc1 ZINC000257255432 244281564 /nfs/dbraw/zinc/28/15/64/244281564.db2.gz KHLQBMSUPHHPBV-IBGZPJMESA-N 0 3 336.439 2.728 40 0 EFABHN CCOc1ccc(CN2CC[C@H](c3nccc(C)n3)C2)cc1CO ZINC000257256097 244282985 /nfs/dbraw/zinc/28/29/85/244282985.db2.gz KKBHICRCOGBSFQ-INIZCTEOSA-N 0 3 327.428 2.666 40 0 EFABHN Cc1ccc(CN2CCC[C@@H]2c2nc(C)ncc2CN(C)C)cn1 ZINC000257257571 244288844 /nfs/dbraw/zinc/28/88/44/244288844.db2.gz KQEWLRKCJYAFIK-GOSISDBHSA-N 0 3 325.460 2.887 40 0 EFABHN COc1ccc(-c2[nH]c3ncccc3c2CN2CCN(C)CC2)cc1 ZINC000019590056 212049418 /nfs/dbraw/zinc/04/94/18/212049418.db2.gz HWAQJXODMUGHGA-UHFFFAOYSA-N 0 3 336.439 2.986 40 0 EFABHN CN1CCc2nc(C3CCN(C(=O)C4CCCCC4)CC3)ncc2C1 ZINC000019590660 212048557 /nfs/dbraw/zinc/04/85/57/212048557.db2.gz RYSURPOSIZLWTG-UHFFFAOYSA-N 0 3 342.487 2.751 40 0 EFABHN CN1CCc2nc([C@H]3CCCN3C(=O)C3CCCCC3)ncc2C1 ZINC000019590497 212047952 /nfs/dbraw/zinc/04/79/52/212047952.db2.gz OWNMTGYKSWQOMF-QGZVFWFLSA-N 0 3 328.460 2.708 40 0 EFABHN COc1ccc(F)c([C@@H]2NC(=O)CC[C@H]2NCc2cccc(O)c2)c1 ZINC000019552658 212041573 /nfs/dbraw/zinc/04/15/73/212041573.db2.gz KCPNLWJISBFUPF-MJGOQNOKSA-N 0 3 344.386 2.649 40 0 EFABHN OC1(Cn2ccc3ncccc32)C[C@H]2CC[C@@H](C1)N2Cc1ccccn1 ZINC000019401426 212026105 /nfs/dbraw/zinc/02/61/05/212026105.db2.gz SJOUZXDSIDHIGI-HTZLVSCSSA-N 0 3 348.450 2.989 40 0 EFABHN NCC(=O)N1[C@@H]2CC[C@H]1c1c(nc(C3CC3)nc1Nc1ccccc1)C2 ZINC000019373010 212023867 /nfs/dbraw/zinc/02/38/67/212023867.db2.gz JQLIUIXDRJOVPP-ZBFHGGJFSA-N 0 3 349.438 2.645 40 0 EFABHN O=C(CC1CCCCC1)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019292300 212011892 /nfs/dbraw/zinc/01/18/92/212011892.db2.gz GBMCGKANAOYFAF-INIZCTEOSA-N 0 3 342.487 2.799 40 0 EFABHN Cc1cc2nc([C@@H]3CCCN(Cc4cccc(C)n4)C3)cc(N)n2n1 ZINC000019236224 212007425 /nfs/dbraw/zinc/00/74/25/212007425.db2.gz FTPRYAHYQOTPDT-OAHLLOKOSA-N 0 3 336.443 2.703 40 0 EFABHN Cc1ncc(CN2CCN(CC3(c4ccc(C)cc4)CC3)CC2)n1C ZINC000019208428 212004526 /nfs/dbraw/zinc/00/45/26/212004526.db2.gz XBWXYLGODKXNDC-UHFFFAOYSA-N 0 3 338.499 2.886 40 0 EFABHN CCN1CCN(CCC(=O)NC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000078394403 217046364 /nfs/dbraw/zinc/04/63/64/217046364.db2.gz YADXCQSENOUCDI-UHFFFAOYSA-N 0 3 349.906 2.863 40 0 EFABHN CCN1CCN(CCC(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000078394323 217046446 /nfs/dbraw/zinc/04/64/46/217046446.db2.gz XCALAKMQEKKWGU-HNNXBMFYSA-N 0 3 329.444 2.638 40 0 EFABHN Cn1cc(CNCCOc2ccc(F)cc2F)c(-c2cccnc2)n1 ZINC000078604181 217085029 /nfs/dbraw/zinc/08/50/29/217085029.db2.gz HWQZLKWVQXIIHQ-UHFFFAOYSA-N 0 3 344.365 2.929 40 0 EFABHN Cn1cc(CNCc2ccccc2-n2ccnc2)c(-c2cccnc2)n1 ZINC000078612736 217087841 /nfs/dbraw/zinc/08/78/41/217087841.db2.gz LPKYZPPNTCGOSB-UHFFFAOYSA-N 0 3 344.422 2.958 40 0 EFABHN CN(Cc1cnn(C)c1)C(=O)CN[C@H](c1ccccc1)C1CCCC1 ZINC000078776852 217119845 /nfs/dbraw/zinc/11/98/45/217119845.db2.gz FRLOUXGTMBHJKZ-HXUWFJFHSA-N 0 3 340.471 2.900 40 0 EFABHN CN(C)Cc1cccc(NC(=O)c2cnc(-c3cnn(C)c3)s2)c1 ZINC000078989607 217167453 /nfs/dbraw/zinc/16/74/53/217167453.db2.gz KSYRTMBPTYSDIC-UHFFFAOYSA-N 0 3 341.440 2.858 40 0 EFABHN CNS(=O)(=O)Cc1ccc(CNC/C(C)=C/c2ccccc2)cc1 ZINC000078979843 217164011 /nfs/dbraw/zinc/16/40/11/217164011.db2.gz QXCHONMSEZGWMG-FOWTUZBSSA-N 0 3 344.480 2.929 40 0 EFABHN COc1ccc(NC(=O)NC2CCN(C)CC2)cc1Br ZINC000079028939 217177785 /nfs/dbraw/zinc/17/77/85/217177785.db2.gz OVDHWNPGIVUIOR-UHFFFAOYSA-N 0 3 342.237 2.673 40 0 EFABHN CC(C(=O)N[C@@H](CCc1ccccc1)c1ccccc1)S(C)(=O)=O ZINC000079039369 217180101 /nfs/dbraw/zinc/18/01/01/217180101.db2.gz VWAMUBYPNVZKGG-QAPCUYQASA-N 0 3 345.464 2.910 40 0 EFABHN C[C@@H](NC1(CNC(=O)c2cccn2C)CCOCC1)c1ccccc1 ZINC000079096326 217191657 /nfs/dbraw/zinc/19/16/57/217191657.db2.gz YYZGQYYKOSTZCD-MRXNPFEDSA-N 0 3 341.455 2.655 40 0 EFABHN Cc1cc(C(=O)NCC2(N[C@@H](C)c3ccccc3)CCOCC2)on1 ZINC000079096188 217191703 /nfs/dbraw/zinc/19/17/03/217191703.db2.gz FUBTYDNVMMDIRR-HNNXBMFYSA-N 0 3 343.427 2.613 40 0 EFABHN C[C@@H](NC1(CNC(=O)c2ccoc2)CCOCC1)c1ccccc1 ZINC000079096408 217191728 /nfs/dbraw/zinc/19/17/28/217191728.db2.gz LLCDTBMGOFZZTK-OAHLLOKOSA-N 0 3 328.412 2.909 40 0 EFABHN COC(=O)CCN(Cc1cccc2cccnc21)C[C@@H]1CCCO1 ZINC000079354507 217213072 /nfs/dbraw/zinc/21/30/72/217213072.db2.gz MLGSLMOTCQMZEG-KRWDZBQOSA-N 0 3 328.412 2.779 40 0 EFABHN CSC[C@@H](C)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110667438 220054127 /nfs/dbraw/zinc/05/41/27/220054127.db2.gz PKCLNZISOXPMJR-OAGGEKHMSA-N 0 3 342.549 2.723 40 0 EFABHN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[C@@]2(CCOC2)C1 ZINC000110677963 220055252 /nfs/dbraw/zinc/05/52/52/220055252.db2.gz DAXGSWATMUXOHS-RDTXWAMCSA-N 0 3 336.863 2.972 40 0 EFABHN CN(C)Cc1ccc(NC(=O)CCc2nncn2-c2ccccc2)cc1 ZINC000079451082 217225928 /nfs/dbraw/zinc/22/59/28/217225928.db2.gz DQDOLEPJOKMPDO-UHFFFAOYSA-N 0 3 349.438 2.900 40 0 EFABHN Cc1cc(-c2cnc(NCCN(C)C)nc2-c2ccc(C)nc2)on1 ZINC000012337052 211350728 /nfs/dbraw/zinc/35/07/28/211350728.db2.gz LZRAPXKWUPGJGD-UHFFFAOYSA-N 0 3 338.415 2.784 40 0 EFABHN COc1cccc([C@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)c1 ZINC000012292506 211335575 /nfs/dbraw/zinc/33/55/75/211335575.db2.gz IOERBOTXHXPRJI-LJQANCHMSA-N 0 3 345.414 2.851 40 0 EFABHN CCc1c(C)nc(NC2CC[NH+](Cc3ccccc3)CC2)[n-]c1=O ZINC000012276298 211333928 /nfs/dbraw/zinc/33/39/28/211333928.db2.gz GCAVHESIMVBYOC-UHFFFAOYSA-N 0 3 326.444 2.717 40 0 EFABHN CCCO[C@H]1CCCN(Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000012241464 211328646 /nfs/dbraw/zinc/32/86/46/211328646.db2.gz QJAPKVSCHNOLBQ-INIZCTEOSA-N 0 3 329.444 2.518 40 0 EFABHN CCCO[C@@H]1CCCN(Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000012241459 211327921 /nfs/dbraw/zinc/32/79/21/211327921.db2.gz QJAPKVSCHNOLBQ-MRXNPFEDSA-N 0 3 329.444 2.518 40 0 EFABHN CCOCCCNCc1cc2c(C)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186418 211313561 /nfs/dbraw/zinc/31/35/61/211313561.db2.gz AJZXOOWTDGPQDZ-UHFFFAOYSA-N 0 3 340.427 2.538 40 0 EFABHN O=C1NCCCC12CCN(Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000012227896 211324815 /nfs/dbraw/zinc/32/48/15/211324815.db2.gz WRWQCKMHMYIARY-UHFFFAOYSA-N 0 3 336.819 2.561 40 0 EFABHN Nc1cc2ccccc2nc1C1CCN(C(=O)CN2CCCC2)CC1 ZINC000012087801 211290192 /nfs/dbraw/zinc/29/01/92/211290192.db2.gz BLHQYPUUYUYPDS-UHFFFAOYSA-N 0 3 338.455 2.619 40 0 EFABHN Cc1ccc(OC2CCN([C@H](C)CN3CCOCC3)CC2)cc1C ZINC000091509655 218014848 /nfs/dbraw/zinc/01/48/48/218014848.db2.gz LSXTWQKJXHDYCV-GOSISDBHSA-N 0 3 332.488 2.867 40 0 EFABHN COc1ccccc1CN1CCC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000093683172 218242542 /nfs/dbraw/zinc/24/25/42/218242542.db2.gz YGAXZQZUKPATPB-CYBMUJFWSA-N 0 3 330.350 2.586 40 0 EFABHN CC[C@H](COc1ccccc1)NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000095409688 218346865 /nfs/dbraw/zinc/34/68/65/218346865.db2.gz ZJEVVRJGGITSDO-JZXOWHBKSA-N 0 3 333.476 2.826 40 0 EFABHN Cc1ccc(C)c([C@H](C)NCc2cnc(N3CCN(C)CC3)nc2)c1 ZINC000095416616 218356321 /nfs/dbraw/zinc/35/63/21/218356321.db2.gz VCBUIUFDCRSZQI-KRWDZBQOSA-N 0 3 339.487 2.696 40 0 EFABHN Fc1ccc(CNC[C@H]2Cn3nnc(-c4ccsc4)c3CO2)cc1 ZINC000096061049 218554217 /nfs/dbraw/zinc/55/42/17/218554217.db2.gz KRTRQEOKBVOBMZ-HNNXBMFYSA-N 0 3 344.415 2.834 40 0 EFABHN Fc1ccc(CNC[C@H]2Cn3nnc(-c4ccccc4)c3CO2)cc1 ZINC000096061084 218554623 /nfs/dbraw/zinc/55/46/23/218554623.db2.gz GYDQHCFSSZNLFC-KRWDZBQOSA-N 0 3 338.386 2.773 40 0 EFABHN O=C1N(CC2CC2)c2ccccc2[C@]12CCN(Cc1ccccn1)C2 ZINC000096100333 218593467 /nfs/dbraw/zinc/59/34/67/218593467.db2.gz IGHZLYVOKCIVGS-OAQYLSRUSA-N 0 3 333.435 2.982 40 0 EFABHN COc1ccc(CN2CCC3(CCN(CC4CC4)C3=O)CC2)cc1 ZINC000096157809 218631754 /nfs/dbraw/zinc/63/17/54/218631754.db2.gz UHRYKPMYZZLKRC-UHFFFAOYSA-N 0 3 328.456 2.920 40 0 EFABHN CN(C)CCn1ccc(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000096435380 218813726 /nfs/dbraw/zinc/81/37/26/218813726.db2.gz FNJJLXIUGSEMNP-KRWDZBQOSA-N 0 3 341.459 2.541 40 0 EFABHN C[C@@H](NC[C@@H]1Cc2ccccc2O1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096476508 218853153 /nfs/dbraw/zinc/85/31/53/218853153.db2.gz PMHZTJWRBTWSNF-DOMZBBRYSA-N 0 3 349.427 2.884 40 0 EFABHN CS(=O)(=O)[C@@H]1CCC[C@H]1NCC1(Sc2ccccc2)CC1 ZINC000096491648 218869341 /nfs/dbraw/zinc/86/93/41/218869341.db2.gz ICWUDZDJJLMLLS-HUUCEWRRSA-N 0 3 325.499 2.867 40 0 EFABHN CCN(CC)CCNC(=O)Nc1c[nH]c2cc(Cl)ccc2c1=O ZINC000004907996 210319370 /nfs/dbraw/zinc/31/93/70/210319370.db2.gz NFNXRYDMJKACTN-UHFFFAOYSA-N 0 3 336.823 2.645 40 0 EFABHN CCOc1cccc(CCNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000097234385 219001827 /nfs/dbraw/zinc/00/18/27/219001827.db2.gz GMNGTXJUZDIFNE-IEBWSBKVSA-N 0 3 345.487 2.754 40 0 EFABHN O=C1[C@H](NC2CCN(c3nccs3)CC2)CCN1c1ccccc1 ZINC000097237672 219003039 /nfs/dbraw/zinc/00/30/39/219003039.db2.gz MGVJEMKNJSXFOY-MRXNPFEDSA-N 0 3 342.468 2.507 40 0 EFABHN O=C(NCc1ccccc1CN1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000097238283 219003313 /nfs/dbraw/zinc/00/33/13/219003313.db2.gz LZPQDRRCBQAENV-LJQANCHMSA-N 0 3 342.414 2.712 40 0 EFABHN COCCn1c(SCCN2CCCCC2)nnc1-c1ccco1 ZINC000004861191 210304741 /nfs/dbraw/zinc/30/47/41/210304741.db2.gz MFIZFPLKAPKQPI-UHFFFAOYSA-N 0 3 336.461 2.763 40 0 EFABHN CCn1cc(C(=O)NCC(C)(C)N(C)C)c(=O)c2cc(Cl)ccc21 ZINC000097375209 219018421 /nfs/dbraw/zinc/01/84/21/219018421.db2.gz HBZVEBZXUMBEFN-UHFFFAOYSA-N 0 3 349.862 2.745 40 0 EFABHN C[C@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CCN(c2ccccc2)C1 ZINC000097375067 219018570 /nfs/dbraw/zinc/01/85/70/219018570.db2.gz CFSOAKNTEIODJR-IAGOWNOFSA-N 0 3 344.480 2.717 40 0 EFABHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH]c2ncccc12 ZINC000097378894 219020457 /nfs/dbraw/zinc/02/04/57/219020457.db2.gz PQIPRVZOMOXOTK-KXBFYZLASA-N 0 3 348.450 2.742 40 0 EFABHN CC(C)Oc1cccc([C@@H](C)NC(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000117032521 221025437 /nfs/dbraw/zinc/02/54/37/221025437.db2.gz LREZYYSOHHRBNE-CRAIPNDOSA-N 0 3 349.475 2.507 40 0 EFABHN O=C(CNCCC1=CCCCC1)Nc1ccccc1N1CCOCC1 ZINC000035311447 132389789 /nfs/dbraw/zinc/38/97/89/132389789.db2.gz PAMJZKZKFHSMKY-UHFFFAOYSA-N 0 3 343.471 2.942 40 0 EFABHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCCOc2ccccc2Cl)C1 ZINC000281073780 273397873 /nfs/dbraw/zinc/39/78/73/273397873.db2.gz TYROQWVKWWUKLH-CHWSQXEVSA-N 0 3 331.865 2.664 40 0 EFABHN C[C@@H](NC[C@@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 ZINC000004023020 274249436 /nfs/dbraw/zinc/24/94/36/274249436.db2.gz HEBNAYZDCNQROW-PJIJBLCYSA-N 0 3 327.380 2.645 40 0 EFABHN C[C@H](CC(N)=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000090943730 274474215 /nfs/dbraw/zinc/47/42/15/274474215.db2.gz PEICCPQBNBMYQE-SSDOTTSWSA-N 0 3 339.155 2.821 40 0 EFABHN O=c1c2ccccc2nc2n1C[C@H]1CC[C@@H](C2)N1Cc1ccccc1 ZINC000019371559 275043247 /nfs/dbraw/zinc/04/32/47/275043247.db2.gz QMOWGMCEYDFDFC-DLBZAZTESA-N 0 3 331.419 2.986 40 0 EFABHN CN1C(=O)c2ccccc2[C@H](O)[C@]2(C)CN(Cc3ccccc3)C[C@H]12 ZINC000019461864 277021998 /nfs/dbraw/zinc/02/19/98/277021998.db2.gz CDVBKHQCSLCOAU-IRFCIJBXSA-N 0 3 336.435 2.696 40 0 EFABHN CN1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1n[nH]c2c1CCCCC2 ZINC000257292808 277045475 /nfs/dbraw/zinc/04/54/75/277045475.db2.gz QNAKFDFWFJBCRV-IAGOWNOFSA-N 0 3 330.476 2.768 40 0 EFABHN COC[C@H]1CC2(CN1c1ncccn1)CCN(Cc1ccco1)CC2 ZINC000096240378 277603772 /nfs/dbraw/zinc/60/37/72/277603772.db2.gz KQPFDUSIKDGERN-MRXNPFEDSA-N 0 3 342.443 2.577 40 0 EFABHN CC(C)[C@H](N)C(=O)N(C(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391457 280271292 /nfs/dbraw/zinc/27/12/92/280271292.db2.gz XSNGYMXHIHQXME-CABCVRRESA-N 0 3 341.496 2.606 40 0 EFABHN COc1cccc2cc(C(=O)N3CCCSC[C@@H]3CN(C)C)oc21 ZINC000085473118 295343362 /nfs/dbraw/zinc/34/33/62/295343362.db2.gz FYYXTSVLJWPDPC-AWEZNQCLSA-N 0 3 348.468 2.951 40 0 EFABHN CN(C)CCN(C)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000097100515 323213388 /nfs/dbraw/zinc/21/33/88/323213388.db2.gz FVUOGHZGXZVSTN-LBPRGKRZSA-N 0 3 339.308 2.771 40 0 EFABHN CNC(=O)Cc1nc(CN[C@H]2CCC[C@H]2c2ccccc2)cs1 ZINC000133470915 323219516 /nfs/dbraw/zinc/21/95/16/323219516.db2.gz XOZVDVREVKNUHQ-HOTGVXAUSA-N 0 3 329.469 2.858 40 0 EFABHN Cc1cc(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)n(C)n1 ZINC000163473397 323222821 /nfs/dbraw/zinc/22/28/21/323222821.db2.gz RAXAEWBKAWZNIO-LJQANCHMSA-N 0 3 326.444 2.513 40 0 EFABHN NC(=O)C[C@H]1CCCN(CCCc2ccccc2Br)C1 ZINC000181940339 323256686 /nfs/dbraw/zinc/25/66/86/323256686.db2.gz QQLFAIOHXZNEPT-CYBMUJFWSA-N 0 3 339.277 2.969 40 0 EFABHN CC(=O)N1CC[C@H](CN(C)Cc2cn(C)nc2C2CCCCC2)C1 ZINC000183130053 323318209 /nfs/dbraw/zinc/31/82/09/323318209.db2.gz DMWKKGRLSRMNDF-MRXNPFEDSA-N 0 3 332.492 2.768 40 0 EFABHN Cc1c([C@H](C)NCC(C)(C)C(N)=O)cnn1-c1cccc(Cl)c1 ZINC000183643185 323344727 /nfs/dbraw/zinc/34/47/27/323344727.db2.gz STFYZXZEHCRDEC-NSHDSACASA-N 0 3 334.851 2.996 40 0 EFABHN COc1cc(-c2nc([C@H](N)c3ccccc3)n[nH]2)cc(OC)c1OC ZINC000095533390 473221997 /nfs/dbraw/zinc/22/19/97/473221997.db2.gz KBEIOKHNIWQAPA-OAHLLOKOSA-N 0 3 340.383 2.546 40 0 EFABHN COc1ccc(-c2nc([C@H](N)c3ccc(OC)c(OC)c3)n[nH]2)cc1 ZINC000095533798 473222679 /nfs/dbraw/zinc/22/26/79/473222679.db2.gz WRXGRHBPAAUYFJ-MRXNPFEDSA-N 0 3 340.383 2.546 40 0 EFABHN CSc1nc(C(C)C)nc(C)c1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000081689302 473243063 /nfs/dbraw/zinc/24/30/63/473243063.db2.gz IYHGUNDDKUWQSA-CQSZACIVSA-N 0 3 348.516 2.844 40 0 EFABHN O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccccc2)C1 ZINC000096041276 473262281 /nfs/dbraw/zinc/26/22/81/473262281.db2.gz SIKDEQIYGYPMAA-QXAKKESOSA-N 0 3 340.423 2.575 40 0 EFABHN COCCN1C(=O)CC[C@]12CCCN(Cc1ccc(F)cc1)CC2 ZINC000096047525 473270053 /nfs/dbraw/zinc/27/00/53/473270053.db2.gz LDQJDBITOCWNHG-IBGZPJMESA-N 0 3 334.435 2.819 40 0 EFABHN Cc1ccc(CN2CCC3(C[C@H](CC(=O)NC(C)C)CO3)CC2)o1 ZINC000096048162 473271394 /nfs/dbraw/zinc/27/13/94/473271394.db2.gz MFBDXZISCUJJQD-INIZCTEOSA-N 0 3 334.460 2.874 40 0 EFABHN O=C(N[C@H]1CCC12CCN(Cc1cccs1)CC2)c1cnccn1 ZINC000096051478 473275113 /nfs/dbraw/zinc/27/51/13/473275113.db2.gz PGGOQLSDDDDUEU-INIZCTEOSA-N 0 3 342.468 2.713 40 0 EFABHN O=C1C[C@@]2(CCN(Cc3ccoc3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050764 473273027 /nfs/dbraw/zinc/27/30/27/473273027.db2.gz AMVWFFGBKFAIMD-LJQANCHMSA-N 0 3 340.379 2.637 40 0 EFABHN CN1CC(=O)N(c2ccccc2)C[C@]12CCN(Cc1ccsc1)C2 ZINC000096050210 473273071 /nfs/dbraw/zinc/27/30/71/473273071.db2.gz STKUFVPFRNPCCH-LJQANCHMSA-N 0 3 341.480 2.671 40 0 EFABHN CSC[C@H](C)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000096456020 473432097 /nfs/dbraw/zinc/43/20/97/473432097.db2.gz PKCLNZISOXPMJR-HRCADAONSA-N 0 3 342.549 2.723 40 0 EFABHN CC(C)CN1CCN(C)C2(CCN(Cc3cccs3)CC2)C1=O ZINC000096050046 473274681 /nfs/dbraw/zinc/27/46/81/473274681.db2.gz WAQLCKKEUHWXTB-UHFFFAOYSA-N 0 3 335.517 2.513 40 0 EFABHN O=C(N[C@@H]1CCC12CCN(Cc1cccs1)CC2)c1cnccn1 ZINC000096051479 473276692 /nfs/dbraw/zinc/27/66/92/473276692.db2.gz PGGOQLSDDDDUEU-MRXNPFEDSA-N 0 3 342.468 2.713 40 0 EFABHN c1csc(CN2CCN3C[C@H](OCc4ccccn4)C[C@H]3C2)c1 ZINC000096055112 473279232 /nfs/dbraw/zinc/27/92/32/473279232.db2.gz VCDMXQBQZCWDQR-DLBZAZTESA-N 0 3 329.469 2.618 40 0 EFABHN c1cc(CN2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)cs1 ZINC000096055033 473279764 /nfs/dbraw/zinc/27/97/64/473279764.db2.gz JHQVMIFJKJYNCS-ZWKOTPCHSA-N 0 3 329.469 2.618 40 0 EFABHN Cc1ccc(CN2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)o1 ZINC000096061399 473285164 /nfs/dbraw/zinc/28/51/64/473285164.db2.gz CDSHXGCBXBZDJI-KRWDZBQOSA-N 0 3 325.412 2.621 40 0 EFABHN c1cc(CN2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)ccn1 ZINC000096056428 473281242 /nfs/dbraw/zinc/28/12/42/473281242.db2.gz RPUBRNRUILEYKL-VAMGGRTRSA-N 0 3 346.471 2.647 40 0 EFABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21)N1CCCC1 ZINC000096057210 473281424 /nfs/dbraw/zinc/28/14/24/473281424.db2.gz OKWLFUZUJSJUSH-LMMKCTJWSA-N 0 3 346.446 2.533 40 0 EFABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3cccs3)C[C@H]21)N1CCCC1 ZINC000096058263 473283791 /nfs/dbraw/zinc/28/37/91/473283791.db2.gz VJPISXJIBXHMCC-IXDOHACOSA-N 0 3 334.485 2.598 40 0 EFABHN COc1ccc(CNC[C@H]2OCCc3cn(CC4CC4)nc32)cc1 ZINC000096059748 473284517 /nfs/dbraw/zinc/28/45/17/473284517.db2.gz NSFYHFPPYYMRKT-GOSISDBHSA-N 0 3 327.428 2.705 40 0 EFABHN O=C1NC2(C[C@H]1c1cccnc1)CCN(Cc1ccsc1)CC2 ZINC000096061374 473286091 /nfs/dbraw/zinc/28/60/91/473286091.db2.gz HROLHJRNSYFPMR-INIZCTEOSA-N 0 3 327.453 2.781 40 0 EFABHN O=C(NC1CCCC1)[C@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21 ZINC000096065579 473287159 /nfs/dbraw/zinc/28/71/59/473287159.db2.gz ILVCACFSCJQBHM-YESZJQIVSA-N 0 3 334.485 2.644 40 0 EFABHN Cc1oncc1C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000096079737 473291031 /nfs/dbraw/zinc/29/10/31/473291031.db2.gz VLWKTVRWVGWHTK-INIZCTEOSA-N 0 3 341.411 2.701 40 0 EFABHN Cc1ccc(C(=O)N2C[C@@H]3CCN(Cc4ccncc4)C[C@@H]3C2)cc1 ZINC000096081458 473293629 /nfs/dbraw/zinc/29/36/29/473293629.db2.gz SCQHZAKWAIGQMB-VQTJNVASSA-N 0 3 335.451 2.984 40 0 EFABHN c1cncc(CN2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)c1 ZINC000096106717 473298219 /nfs/dbraw/zinc/29/82/19/473298219.db2.gz NAXCWEZNCSKOGL-GOSISDBHSA-N 0 3 325.412 2.679 40 0 EFABHN Cn1cc(CN2CCC3(C[C@H](OCC4CCCC4)CO3)CC2)cn1 ZINC000096106666 473298396 /nfs/dbraw/zinc/29/83/96/473298396.db2.gz ZKGSFRHLVCKPPD-SFHVURJKSA-N 0 3 333.476 2.750 40 0 EFABHN c1ccc(CO[C@@H]2COC3(C2)CCN(Cc2cccnc2)CC3)nc1 ZINC000096106887 473298579 /nfs/dbraw/zinc/29/85/79/473298579.db2.gz JPJDTZVTHUVDDT-IBGZPJMESA-N 0 3 339.439 2.817 40 0 EFABHN Fc1cccnc1O[C@H]1COC2(C1)CCN(Cc1ccncc1)CC2 ZINC000096107034 473300802 /nfs/dbraw/zinc/30/08/02/473300802.db2.gz XUYYCTFITFVBTO-MRXNPFEDSA-N 0 3 343.402 2.818 40 0 EFABHN Cc1ccc(CN2CC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)o1 ZINC000096107767 473300850 /nfs/dbraw/zinc/30/08/50/473300850.db2.gz TUWWBKHNUBEHGN-MOPGFXCFSA-N 0 3 328.412 2.933 40 0 EFABHN c1cc(CN2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)cs1 ZINC000096108947 473302040 /nfs/dbraw/zinc/30/20/40/473302040.db2.gz PJHBMDKCCPXVAJ-QZTJIDSGSA-N 0 3 330.453 2.808 40 0 EFABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)o1 ZINC000096108987 473302101 /nfs/dbraw/zinc/30/21/01/473302101.db2.gz KHEIOPJXPSUZPQ-APWZRJJASA-N 0 3 328.412 2.648 40 0 EFABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1cc3ccccc3o1)CC[C@@H]2OC ZINC000096109411 473302336 /nfs/dbraw/zinc/30/23/36/473302336.db2.gz LAQBZIRNBGCPRA-UXLLHSPISA-N 0 3 328.412 2.614 40 0 EFABHN O=C(NCc1ccco1)[C@@H]1CCC2(CCN(Cc3ccco3)CC2)O1 ZINC000096109994 473303328 /nfs/dbraw/zinc/30/33/28/473303328.db2.gz XMODVGQVNRRTLR-KRWDZBQOSA-N 0 3 344.411 2.703 40 0 EFABHN CC(C)n1c2ccccc2nc1[C@H](C)N[C@H](C)CN1CCOCC1 ZINC000162250785 473320852 /nfs/dbraw/zinc/32/08/52/473320852.db2.gz YCTSGECCNXKDNE-CVEARBPZSA-N 0 3 330.476 2.989 40 0 EFABHN CC(C)n1c2ccccc2nc1[C@@H](C)N[C@@H](C)CN1CCOCC1 ZINC000162250379 473321970 /nfs/dbraw/zinc/32/19/70/473321970.db2.gz YCTSGECCNXKDNE-JKSUJKDBSA-N 0 3 330.476 2.989 40 0 EFABHN CN(Cc1ccco1)C[C@H]1OC[C@@H]2CCN(Cc3nccs3)C[C@@H]21 ZINC000096185514 473327591 /nfs/dbraw/zinc/32/75/91/473327591.db2.gz WIBIAJJQXWSPBY-BHYGNILZSA-N 0 3 347.484 2.705 40 0 EFABHN O=C1C[C@@H](c2cccnc2)C2(CCN(Cc3ccsc3)CC2)N1 ZINC000096199699 473335157 /nfs/dbraw/zinc/33/51/57/473335157.db2.gz OPGUDHMQGJAFRA-INIZCTEOSA-N 0 3 327.453 2.781 40 0 EFABHN COCCO[C@@H]1CCN(Cc2cccs2)[C@H]1Cc1cccnc1 ZINC000096200150 473335203 /nfs/dbraw/zinc/33/52/03/473335203.db2.gz GCAWPFMUUQEESH-ZWKOTPCHSA-N 0 3 332.469 2.992 40 0 EFABHN O=C1NC2(C[C@H]1c1ccncc1)CCN(Cc1cccs1)CC2 ZINC000096199534 473335388 /nfs/dbraw/zinc/33/53/88/473335388.db2.gz ASSFRCGHBXDTCR-INIZCTEOSA-N 0 3 327.453 2.781 40 0 EFABHN O=C1C[C@H](c2cccnc2)C2(CCN(Cc3ccsc3)CC2)N1 ZINC000096199700 473336272 /nfs/dbraw/zinc/33/62/72/473336272.db2.gz OPGUDHMQGJAFRA-MRXNPFEDSA-N 0 3 327.453 2.781 40 0 EFABHN C[C@@H]1N(CC2CC2)C(=O)COC12CCN(Cc1cccs1)CC2 ZINC000096201557 473338592 /nfs/dbraw/zinc/33/85/92/473338592.db2.gz URGHEUUDQCTFMI-AWEZNQCLSA-N 0 3 334.485 2.740 40 0 EFABHN Cc1cc(CN2CCC3(CN(c4cccnc4)C3=O)CC2)oc1C ZINC000096202959 473339155 /nfs/dbraw/zinc/33/91/55/473339155.db2.gz TVWLMVHBZCMNEJ-UHFFFAOYSA-N 0 3 325.412 2.920 40 0 EFABHN CN(C)[C@@H]1CCN(C(=O)Cc2ccc(F)cc2)[C@H]1Cc1cccnc1 ZINC000096200853 473339436 /nfs/dbraw/zinc/33/94/36/473339436.db2.gz FTEGCJLOZUUKQU-MOPGFXCFSA-N 0 3 341.430 2.537 40 0 EFABHN O=C(C[C@@H]1OC[C@H]2CN(Cc3ccco3)CC[C@H]21)Nc1cccnc1 ZINC000096206089 473340346 /nfs/dbraw/zinc/34/03/46/473340346.db2.gz CUKHGCKCZVTSGI-OLMNPRSZSA-N 0 3 341.411 2.540 40 0 EFABHN CN(C)C[C@H]1CCC[C@]2(CCN(C(=O)CCOc3ccccc3)C2)O1 ZINC000096208054 473341809 /nfs/dbraw/zinc/34/18/09/473341809.db2.gz PWINZTNAUZRXBP-UYAOXDASSA-N 0 3 346.471 2.557 40 0 EFABHN O=C(C[C@@H]1CNCCO1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000150733910 473342214 /nfs/dbraw/zinc/34/22/14/473342214.db2.gz YNIJSHOWINIBGF-IEBWSBKVSA-N 0 3 344.842 2.924 40 0 EFABHN c1ccc(NCC[C@@]23CCO[C@@H]2CCN(Cc2cccnc2)C3)nc1 ZINC000096207530 473342413 /nfs/dbraw/zinc/34/24/13/473342413.db2.gz XGVBKIDXLFSYHG-QUCCMNQESA-N 0 3 338.455 2.960 40 0 EFABHN O=C(C[C@@H]1C[C@H]2CN(Cc3cccs3)C[C@H]2O1)NCc1ccco1 ZINC000096208074 473342529 /nfs/dbraw/zinc/34/25/29/473342529.db2.gz SPJOIQNLNWSBCH-JLJPHGGASA-N 0 3 346.452 2.637 40 0 EFABHN O=C(C[C@@H]1OC[C@H]2CN(Cc3ccsc3)CC[C@H]21)NCC1CC1 ZINC000096208290 473344139 /nfs/dbraw/zinc/34/41/39/473344139.db2.gz SACSRSGMTCBSHS-ZACQAIPSSA-N 0 3 334.485 2.501 40 0 EFABHN O=C(C[C@H]1OC[C@H]2CN(Cc3ccco3)CC[C@H]21)Nc1cccnc1 ZINC000096209282 473344769 /nfs/dbraw/zinc/34/47/69/473344769.db2.gz CUKHGCKCZVTSGI-ZTFGCOKTSA-N 0 3 341.411 2.540 40 0 EFABHN c1csc(CN2CC[C@@]3(C2)CCC[C@@H](CN2CCOCC2)O3)c1 ZINC000096209526 473345390 /nfs/dbraw/zinc/34/53/90/473345390.db2.gz AXDLWAAJHKDVQF-FUHWJXTLSA-N 0 3 336.501 2.594 40 0 EFABHN CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(Cc3cccs3)C2)O1 ZINC000096208326 473345615 /nfs/dbraw/zinc/34/56/15/473345615.db2.gz ITZGCKDUCNAKIO-RHSMWYFYSA-N 0 3 337.489 2.533 40 0 EFABHN Cc1ccc(CN2C[C@@H]3C[C@@H](CC(=O)N4CCCC4)O[C@@H]3C2)s1 ZINC000096217586 473349392 /nfs/dbraw/zinc/34/93/92/473349392.db2.gz XAOUHCKTJDFTAA-YQQAZPJKSA-N 0 3 334.485 2.658 40 0 EFABHN O=C([C@@H]1CCC2(CCN(Cc3cccc(F)c3)CC2)O1)N1CCCO1 ZINC000096216630 473350486 /nfs/dbraw/zinc/35/04/86/473350486.db2.gz VLJANECSAJWXQK-KRWDZBQOSA-N 0 3 348.418 2.503 40 0 EFABHN Fc1cnc(N[C@@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)nc1 ZINC000096219596 473351197 /nfs/dbraw/zinc/35/11/97/473351197.db2.gz BSMISWUCEVVFHF-BBRMVZONSA-N 0 3 334.420 2.523 40 0 EFABHN Cc1ccc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCCC3)C2)o1 ZINC000096219408 473352140 /nfs/dbraw/zinc/35/21/40/473352140.db2.gz UMZSEYLAVKGXKF-QRQLOZEOSA-N 0 3 346.471 2.828 40 0 EFABHN Fc1ccc(CN2CC[C@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cc1 ZINC000096219655 473352195 /nfs/dbraw/zinc/35/21/95/473352195.db2.gz FLEVCERPNJKUPS-WMZOPIPTSA-N 0 3 346.381 2.600 40 0 EFABHN Cc1ccc(OC[C@H]2CO[C@@H]3CN(Cc4ccsc4)C[C@H]23)cn1 ZINC000096220346 473354511 /nfs/dbraw/zinc/35/45/11/473354511.db2.gz DQDOMQQXFAIZKO-CGTJXYLNSA-N 0 3 330.453 2.977 40 0 EFABHN Cc1ccc(CN2CC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000096219774 473354652 /nfs/dbraw/zinc/35/46/52/473354652.db2.gz WDNLJTAXRWXEAW-MAUKXSAKSA-N 0 3 344.484 2.716 40 0 EFABHN O=C(N[C@@H]1COC2(C1)CCN(Cc1ccco1)CC2)c1cccs1 ZINC000096221212 473354666 /nfs/dbraw/zinc/35/46/66/473354666.db2.gz BKTROAXCZBJBPD-AWEZNQCLSA-N 0 3 346.452 2.895 40 0 EFABHN Fc1cnc(N[C@@H]2CO[C@]3(C2)CCCN(Cc2ccccc2)C3)nc1 ZINC000096223257 473356004 /nfs/dbraw/zinc/35/60/04/473356004.db2.gz XJWCKTVSHCYCHU-HKUYNNGSSA-N 0 3 342.418 2.851 40 0 EFABHN c1cc(CN2CCC3(CC2)COCCN(c2cccnc2)C3)co1 ZINC000096239968 473362764 /nfs/dbraw/zinc/36/27/64/473362764.db2.gz OJKYOVNTELFMIE-UHFFFAOYSA-N 0 3 327.428 2.794 40 0 EFABHN c1ccc(CN2CCC[C@]3(C2)COCCN(c2ncccn2)C3)cc1 ZINC000096229122 473358490 /nfs/dbraw/zinc/35/84/90/473358490.db2.gz SYCVCOTZZULENO-HXUWFJFHSA-N 0 3 338.455 2.596 40 0 EFABHN O=C(Cc1ccccc1)N1CCC[C@]2(C1)COCCN(CC1CC1)C2 ZINC000096228808 473358754 /nfs/dbraw/zinc/35/87/54/473358754.db2.gz ZIVOKYVJXHCLKQ-NRFANRHFSA-N 0 3 342.483 2.580 40 0 EFABHN CCN1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CCN2CC(C)C ZINC000096230375 473359673 /nfs/dbraw/zinc/35/96/73/473359673.db2.gz VILKLKXKQKECMV-UHFFFAOYSA-N 0 3 344.503 2.549 40 0 EFABHN O=C1C[C@@]2(CCN(Cc3ccccn3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239048 473360467 /nfs/dbraw/zinc/36/04/67/473360467.db2.gz RSBVLUVIUNHMQM-LJQANCHMSA-N 0 3 343.377 2.989 40 0 EFABHN Cc1noc(C)c1CN1C[C@]2(CCN(Cc3ccccc3)C2)CC1=O ZINC000096239402 473362219 /nfs/dbraw/zinc/36/22/19/473362219.db2.gz RBRAMJDCPQANCJ-HXUWFJFHSA-N 0 3 339.439 2.916 40 0 EFABHN CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096251718 473363817 /nfs/dbraw/zinc/36/38/17/473363817.db2.gz FVFDTCJLWDXWOQ-FHWLQOOXSA-N 0 3 336.439 2.623 40 0 EFABHN Cc1cccc(CN2CC[C@H]3OCCN(c4cccnc4)[C@H]3CC2)n1 ZINC000096249432 473364782 /nfs/dbraw/zinc/36/47/82/473364782.db2.gz SVYFEFFWIBHZCO-VQTJNVASSA-N 0 3 338.455 2.655 40 0 EFABHN Cn1cc(CN2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cn1 ZINC000096255272 473365827 /nfs/dbraw/zinc/36/58/27/473365827.db2.gz DKFNXGZVZCNAFU-UHFFFAOYSA-N 0 3 337.402 2.617 40 0 EFABHN CCN1CCc2cc(C(=O)N3CCCC3)c(NCC(C)C)nc2CC1 ZINC000096260543 473368025 /nfs/dbraw/zinc/36/80/25/473368025.db2.gz GXTGNCVTPIKCHJ-UHFFFAOYSA-N 0 3 344.503 2.806 40 0 EFABHN CCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4ccc(F)cc4)C[C@@H]32)N=C1C ZINC000096261429 473369318 /nfs/dbraw/zinc/36/93/18/473369318.db2.gz NJBTZOQSVHYHNO-HHXXYDBFSA-N 0 3 329.419 2.687 40 0 EFABHN CCC1=N[C@@]2(CC[C@@H]3CN(Cc4c(C)noc4C)C[C@@H]32)C(=O)N1CC ZINC000096261601 473370040 /nfs/dbraw/zinc/37/00/40/473370040.db2.gz UUUCXVDIEAPACI-SIXWZSSISA-N 0 3 344.459 2.543 40 0 EFABHN Cc1cc(NC(=O)C2CC2)sc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000096403559 473379781 /nfs/dbraw/zinc/37/97/81/473379781.db2.gz UPAXSOGRAIZYAR-AWEZNQCLSA-N 0 3 347.484 2.715 40 0 EFABHN CC1CCC(N2CCN(C[C@@H](O)COCc3ccccc3)CC2)CC1 ZINC000096406752 473383738 /nfs/dbraw/zinc/38/37/38/473383738.db2.gz BVZXEWBQVVURCM-DQVLVPHSSA-N 0 3 346.515 2.760 40 0 EFABHN Cc1cc(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)nn1C ZINC000096408499 473386785 /nfs/dbraw/zinc/38/67/85/473386785.db2.gz NSKZLUJLWOLUHE-UHFFFAOYSA-N 0 3 336.823 2.575 40 0 EFABHN O=C(Cn1ccc2ccc(Cl)cc21)N1CC[C@H](N2CCCC2)C1 ZINC000171452103 473391149 /nfs/dbraw/zinc/39/11/49/473391149.db2.gz MZTFBHVVPOAGFP-INIZCTEOSA-N 0 3 331.847 2.991 40 0 EFABHN COc1cccc(OC)c1OC[C@H](O)CN[C@@H](C)c1ccccc1 ZINC000000166996 471329907 /nfs/dbraw/zinc/32/99/07/471329907.db2.gz OXXHXPODIXKWPP-GOEBONIOSA-N 0 3 331.412 2.794 40 0 EFABHN Cc1ccccc1C(O)(c1ccccc1C)C1(O)CCN(C)CC1 ZINC000001871875 471399503 /nfs/dbraw/zinc/39/95/03/471399503.db2.gz DRFCSHWOTIKNRR-UHFFFAOYSA-N 0 3 325.452 2.996 40 0 EFABHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000002391047 471407097 /nfs/dbraw/zinc/40/70/97/471407097.db2.gz IVLQGCHRBLYVPB-GUYCJALGSA-N 0 3 327.428 2.656 40 0 EFABHN CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1cc[n+]([O-])c2ccc(OC)cc12 ZINC000005105924 471487201 /nfs/dbraw/zinc/48/72/01/471487201.db2.gz WSOBKSJSQFYBNR-UYVJDWJCSA-N 0 3 342.439 2.636 40 0 EFABHN CCOc1cc(CNCCOC)cc(Br)c1OCC ZINC000008253830 471674985 /nfs/dbraw/zinc/67/49/85/471674985.db2.gz KIWQOYICLJAWMF-UHFFFAOYSA-N 0 3 332.238 2.983 40 0 EFABHN CCOc1cc(CNC[C@@H](C)O)cc(Br)c1OCC ZINC000008253839 471675416 /nfs/dbraw/zinc/67/54/16/471675416.db2.gz QVTUJZMEQAQBMQ-SNVBAGLBSA-N 0 3 332.238 2.717 40 0 EFABHN O=C(CN1CC[C@H]2CCCC[C@@H]2C1)NC(=O)Nc1ccccc1F ZINC000008267188 471676380 /nfs/dbraw/zinc/67/63/80/471676380.db2.gz XWUQWDSRQZOLTG-ZIAGYGMSSA-N 0 3 333.407 2.986 40 0 EFABHN CCCn1nc2nc(N3CCNCC3)cc(C(F)(F)F)c2c1C ZINC000012398894 471774880 /nfs/dbraw/zinc/77/48/80/471774880.db2.gz OQCLIVUEVOGQAO-UHFFFAOYSA-N 0 3 327.354 2.578 40 0 EFABHN O=S(=O)(NCc1ccccc1CN1CCCC1)c1cccs1 ZINC000013008529 471812214 /nfs/dbraw/zinc/81/22/14/471812214.db2.gz BQMWCJAIKLYKQD-UHFFFAOYSA-N 0 3 336.482 2.822 40 0 EFABHN Cc1cccc(OC[C@H](O)CN(CCO)Cc2ccccc2)c1C ZINC000016779367 471949745 /nfs/dbraw/zinc/94/97/45/471949745.db2.gz GJJXZNMFSGVZOB-LJQANCHMSA-N 0 3 329.440 2.538 40 0 EFABHN CN1CCC(NC(=S)Nc2cccc(Br)c2)CC1 ZINC000016943681 471951973 /nfs/dbraw/zinc/95/19/73/471951973.db2.gz OYWLENRDXJZIDB-UHFFFAOYSA-N 0 3 328.279 2.830 40 0 EFABHN Cc1ccc([C@H](O)CN2CCO[C@@H](CN3CCCCC3)C2)c(C)c1 ZINC000019132527 471977640 /nfs/dbraw/zinc/97/76/40/471977640.db2.gz BOPTVRBZIJZKMO-AZUAARDMSA-N 0 3 332.488 2.524 40 0 EFABHN C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@H](C)C1 ZINC000020680735 471993093 /nfs/dbraw/zinc/99/30/93/471993093.db2.gz WFADLTDLKZGSOQ-DOFAYWRZSA-N 0 3 347.503 2.901 40 0 EFABHN C[C@H]1CCCN(CCNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 ZINC000055377815 472175921 /nfs/dbraw/zinc/17/59/21/472175921.db2.gz HEFAQUJGOKMAPG-AWEZNQCLSA-N 0 3 332.492 2.977 40 0 EFABHN O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220957 472217133 /nfs/dbraw/zinc/21/71/33/472217133.db2.gz JTRSLFFZYOZOII-RDJZCZTQSA-N 0 3 336.863 2.847 40 0 EFABHN C[C@H]1CN(CCCCNC(=O)[C@@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC000085457822 472250294 /nfs/dbraw/zinc/25/02/94/472250294.db2.gz OORQTFXGOOOKQX-XYJFISCASA-N 0 3 346.471 2.558 40 0 EFABHN C[C@@H]1CN(C)CCN1CC1CCN(C(=O)CC2CCCCC2)CC1 ZINC000085468134 472251971 /nfs/dbraw/zinc/25/19/71/472251971.db2.gz GVZSAKIGLXLHSH-QGZVFWFLSA-N 0 3 335.536 2.831 40 0 EFABHN C[C@@H]1CN(C)CCN1CC1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000085468204 472252372 /nfs/dbraw/zinc/25/23/72/472252372.db2.gz DMLDHVYMILRXSZ-OAHLLOKOSA-N 0 3 349.906 2.828 40 0 EFABHN O=C(Cc1ccc(F)cc1)N1CCCSC[C@H]1CN1CCCC1 ZINC000085473173 472253178 /nfs/dbraw/zinc/25/31/78/472253178.db2.gz YMVYKWKGBIFIHU-QGZVFWFLSA-N 0 3 336.476 2.798 40 0 EFABHN CC(C)CN(CCN(C)C)C(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000085611714 472261137 /nfs/dbraw/zinc/26/11/37/472261137.db2.gz AWONDOVMGBCQSL-HSZRJFAPSA-N 0 3 343.468 2.615 40 0 EFABHN CS(=O)(=O)N1CCC[C@@H](CN2CCC[C@@H]2c2ccsc2)C1 ZINC000085786551 472266741 /nfs/dbraw/zinc/26/67/41/472266741.db2.gz XQDRJLYGENAHLF-DZGCQCFKSA-N 0 3 328.503 2.557 40 0 EFABHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000044889921 472347693 /nfs/dbraw/zinc/34/76/93/472347693.db2.gz QRHFJKHGFIPJSN-GOSISDBHSA-N 0 3 349.434 2.576 40 0 EFABHN CC(C)COC(=O)N1CCC(N[C@H](C)c2nnc3ccccn32)CC1 ZINC000089136647 472390479 /nfs/dbraw/zinc/39/04/79/472390479.db2.gz SGDMZEGJDPKCSD-CQSZACIVSA-N 0 3 345.447 2.637 40 0 EFABHN O=C(Cc1ccc(F)cc1)NCCCN1CCc2ccccc2C1 ZINC000032398865 472429025 /nfs/dbraw/zinc/42/90/25/472429025.db2.gz MQTPIZAWLCQSNK-UHFFFAOYSA-N 0 3 326.415 2.933 40 0 EFABHN Cc1cc(Cl)c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1C ZINC000097237532 472486255 /nfs/dbraw/zinc/48/62/55/472486255.db2.gz WGOWRHXZCKFLCB-OAHLLOKOSA-N 0 3 336.863 2.940 40 0 EFABHN CC[C@@H]1C[C@H](C(=O)N2CCC[C@H](NCc3ccccc3)C2)CCO1 ZINC000097236255 472486307 /nfs/dbraw/zinc/48/63/07/472486307.db2.gz FYBWMCVRSYFLOX-CEXWTWQISA-N 0 3 330.472 2.972 40 0 EFABHN Cc1nc(-c2cccc(CNC(=O)[C@H](C)N3[C@@H](C)CC[C@@H]3C)c2)n[nH]1 ZINC000089897661 472538183 /nfs/dbraw/zinc/53/81/83/472538183.db2.gz QKUKMWDIVDITBL-IHRRRGAJSA-N 0 3 341.459 2.658 40 0 EFABHN Cc1nc(-c2cccc(CNC(=O)[C@@H](C)N3[C@@H](C)CC[C@@H]3C)c2)n[nH]1 ZINC000089897660 472538193 /nfs/dbraw/zinc/53/81/93/472538193.db2.gz QKUKMWDIVDITBL-MELADBBJSA-N 0 3 341.459 2.658 40 0 EFABHN CN(C)Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccn3)C2)cc1 ZINC000155499024 472558493 /nfs/dbraw/zinc/55/84/93/472558493.db2.gz YXHFAUNOLWEAIU-SFHVURJKSA-N 0 3 338.455 2.542 40 0 EFABHN COc1cccc2c1CC[C@H]2N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000090592549 472640877 /nfs/dbraw/zinc/64/08/77/472640877.db2.gz WJOLRJIIOVTNDJ-KGLIPLIRSA-N 0 3 342.361 2.825 40 0 EFABHN Cn1ncc2c1CCC[C@@H]2NCCOc1ncccc1C(F)(F)F ZINC000090605774 472641685 /nfs/dbraw/zinc/64/16/85/472641685.db2.gz LTSWMJONSOOGNZ-ZDUSSCGKSA-N 0 3 340.349 2.880 40 0 EFABHN COc1ccccc1[C@@]1(O)CCC[C@@H]2CN(Cc3ccnn3C)C[C@H]21 ZINC000072340971 472662156 /nfs/dbraw/zinc/66/21/56/472662156.db2.gz JILHQMTWRIDWPC-ZTNFWEORSA-N 0 3 341.455 2.548 40 0 EFABHN CN1CCC[C@@H](CNS(=O)(=O)c2ccccc2-c2ccccc2)C1 ZINC000078572311 472735602 /nfs/dbraw/zinc/73/56/02/472735602.db2.gz PQAGBGPINKEMKJ-INIZCTEOSA-N 0 3 344.480 2.974 40 0 EFABHN COc1ccccc1[C@H](C)S(=O)(=O)C(C)C(=O)N1CCCCC1 ZINC000078822459 472775585 /nfs/dbraw/zinc/77/55/85/472775585.db2.gz JZCWYOAQOGFFOA-KBPBESRZSA-N 0 3 339.457 2.572 40 0 EFABHN CC(=O)N1CCN(C(=O)[C@@H](C)N[C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000073619625 472840559 /nfs/dbraw/zinc/84/05/59/472840559.db2.gz PWEUTSDWPKNYIK-JKSUJKDBSA-N 0 3 345.487 2.540 40 0 EFABHN CC(=O)N1CCN(C(=O)[C@H](C)N[C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000073619617 472841212 /nfs/dbraw/zinc/84/12/12/472841212.db2.gz PWEUTSDWPKNYIK-HOTGVXAUSA-N 0 3 345.487 2.540 40 0 EFABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000073743055 472866497 /nfs/dbraw/zinc/86/64/97/472866497.db2.gz DDHBTZLDQXTPIE-CYBMUJFWSA-N 0 3 344.242 2.532 40 0 EFABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000073743041 472866523 /nfs/dbraw/zinc/86/65/23/472866523.db2.gz IOUWOMBISMTJLQ-NSHDSACASA-N 0 3 344.242 2.532 40 0 EFABHN CCN1CCN(CCC(=O)NC(C)(C)c2cccc(Cl)c2)CC1 ZINC000073849953 472887367 /nfs/dbraw/zinc/88/73/67/472887367.db2.gz YZOCCPZHJTZVMK-UHFFFAOYSA-N 0 3 337.895 2.719 40 0 EFABHN OCc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)o1 ZINC000049170543 472933434 /nfs/dbraw/zinc/93/34/34/472933434.db2.gz VVCLLDWHNBJHQU-LBPRGKRZSA-N 0 3 343.358 2.951 40 0 biogenic,in-vitro EFABHN O=C(Nc1cccnc1)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1 ZINC000107207220 472933632 /nfs/dbraw/zinc/93/36/32/472933632.db2.gz LBHNCFCVDKDCJH-ZACQAIPSSA-N 0 3 343.452 2.904 40 0 EFABHN Cn1cc(CN2CC[C@H]3OCCC[C@@]3(COCC3CCC3)C2)cn1 ZINC000107712528 472977256 /nfs/dbraw/zinc/97/72/56/472977256.db2.gz NPZVKGKWKHXSNQ-MOPGFXCFSA-N 0 3 333.476 2.608 40 0 EFABHN Cc1ccc(CN2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)o1 ZINC000107730857 472978454 /nfs/dbraw/zinc/97/84/54/472978454.db2.gz IVEJELFOAQESEA-CRAIPNDOSA-N 0 3 328.416 2.614 40 0 EFABHN Cc1ccc(CN2CCN3C[C@@H](OCc4ccccn4)C[C@@H]3C2)s1 ZINC000107746846 472980532 /nfs/dbraw/zinc/98/05/32/472980532.db2.gz SQXOYEIHHGXUSK-MSOLQXFVSA-N 0 3 343.496 2.927 40 0 EFABHN Cc1ccc(CN2CCO[C@H]3[C@H]2CC[C@H]3COCCN(C)C)s1 ZINC000107747120 472980757 /nfs/dbraw/zinc/98/07/57/472980757.db2.gz HEYIOBUAGCPJTH-CGTJXYLNSA-N 0 3 338.517 2.614 40 0 EFABHN O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CCN(Cc1ccncc1)C2 ZINC000108525754 473034189 /nfs/dbraw/zinc/03/41/89/473034189.db2.gz GHPUNOUHEONLGO-FUHWJXTLSA-N 0 3 349.425 2.988 40 0 EFABHN O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@@]12CCN(Cc1ccccn1)C2 ZINC000108531094 473035267 /nfs/dbraw/zinc/03/52/67/473035267.db2.gz BFHLDJFMYZFNKP-WMZOPIPTSA-N 0 3 349.425 2.988 40 0 EFABHN O=C(NC1CC2(C1)CCN(Cc1ccccn1)CC2)c1cccnc1 ZINC000108525977 473035884 /nfs/dbraw/zinc/03/58/84/473035884.db2.gz DWQJSYQSKNBQJE-UHFFFAOYSA-N 0 3 336.439 2.651 40 0 EFABHN Cc1ccccc1O[C@@H](C)CNC(=O)N(C)CC1CCN(C)CC1 ZINC000075307296 473163838 /nfs/dbraw/zinc/16/38/38/473163838.db2.gz AHVPPEBNBUOZBB-INIZCTEOSA-N 0 3 333.476 2.746 40 0 EFABHN CN1CCC[C@@H](CNC(=O)Nc2nncs2)[C@H]1c1cccs1 ZINC000110633350 473168151 /nfs/dbraw/zinc/16/81/51/473168151.db2.gz NJAUXFJJLLIZJE-JQWIXIFHSA-N 0 3 337.474 2.804 40 0 EFABHN CN(C[C@H]1CCOC1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000110698746 473172068 /nfs/dbraw/zinc/17/20/68/473172068.db2.gz QOTLJDDOOGQCBJ-ABAIWWIYSA-N 0 3 326.799 2.553 40 0 EFABHN C[C@@H]1C[C@@H](NCc2nnc3ccccn32)CN(Cc2ccccc2)C1 ZINC000136893002 473183236 /nfs/dbraw/zinc/18/32/36/473183236.db2.gz AEEXITJTXLTQPL-SJLPKXTDSA-N 0 3 335.455 2.730 40 0 EFABHN O=C(Nc1ccc(CCN2CCC(O)CC2)cc1)[C@@H]1CC=CCC1 ZINC000075416134 473184162 /nfs/dbraw/zinc/18/41/62/473184162.db2.gz MACYAWQLMPPZQD-QGZVFWFLSA-N 0 3 328.456 2.981 40 0 EFABHN CN1CCC(NC(=O)/C=C/c2cc(Br)cs2)CC1 ZINC000096445227 473422350 /nfs/dbraw/zinc/42/23/50/473422350.db2.gz BVOWSICWYFWTGL-NSCUHMNNSA-N 0 3 329.263 2.734 40 0 EFABHN Cc1cc(NC(=O)c2cnn(C)c2)cc(N2CCN(C(C)C)CC2)c1 ZINC000190787218 473393351 /nfs/dbraw/zinc/39/33/51/473393351.db2.gz CGBKXOXLEIGBTO-UHFFFAOYSA-N 0 3 341.459 2.511 40 0 EFABHN CS(=O)(=O)c1cccc(OCCNC2(c3ccccc3)CC2)c1 ZINC000096414865 473393805 /nfs/dbraw/zinc/39/38/05/473393805.db2.gz BDXBPXIJHAJQAR-UHFFFAOYSA-N 0 3 331.437 2.748 40 0 EFABHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)C1CC=CC1 ZINC000096419250 473398042 /nfs/dbraw/zinc/39/80/42/473398042.db2.gz QWEBSNXGHDWKOW-UHFFFAOYSA-N 0 3 341.499 2.667 40 0 EFABHN CCN1CCCC[C@@H]1C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000096426854 473406478 /nfs/dbraw/zinc/40/64/78/473406478.db2.gz HRZRBEIPJPMQGE-RBUKOAKNSA-N 0 3 330.472 2.926 40 0 EFABHN C[C@@H](C(=O)N1CCC2(CC1)OCC(C)(C)CO2)N1CCCCCC1 ZINC000096436302 473416456 /nfs/dbraw/zinc/41/64/56/473416456.db2.gz DDZCVFSUCMKKLX-INIZCTEOSA-N 0 3 338.492 2.643 40 0 EFABHN CN1CCC[C@H](CN[C@H](C(N)=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000096437165 473416497 /nfs/dbraw/zinc/41/64/97/473416497.db2.gz MUAFWYMDBAZTJO-BPQIPLTHSA-N 0 3 343.496 2.947 40 0 EFABHN CN(C)CCOc1ccccc1CNC(=O)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000096439578 473417672 /nfs/dbraw/zinc/41/76/72/473417672.db2.gz BPDRLEZDOSMEBC-QZTJIDSGSA-N 0 3 343.471 2.735 40 0 EFABHN CCN1CCN(CCC(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000096440799 473418831 /nfs/dbraw/zinc/41/88/31/473418831.db2.gz FOSYGQLBEKXMCV-OALUTQOASA-N 0 3 347.478 2.606 40 0 EFABHN CSc1ccc(OCCN2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC000096441423 473419709 /nfs/dbraw/zinc/41/97/09/473419709.db2.gz POKGDIBRLBVYFO-OAHLLOKOSA-N 0 3 334.485 2.874 40 0 EFABHN CN(C)CCn1ccc(NC(=O)N(C)Cc2cc3ccccc3o2)n1 ZINC000096446009 473424230 /nfs/dbraw/zinc/42/42/30/473424230.db2.gz JUSQUGJCZBSWCI-UHFFFAOYSA-N 0 3 341.415 2.855 40 0 EFABHN Cc1c(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cnc2ccccc12 ZINC000096451257 473428024 /nfs/dbraw/zinc/42/80/24/473428024.db2.gz GYGHFXWCBBYKQR-MRXNPFEDSA-N 0 3 341.455 2.726 40 0 EFABHN Cc1ncsc1CNCc1ccccc1CN1CCC(O)CC1 ZINC000096453992 473429358 /nfs/dbraw/zinc/42/93/58/473429358.db2.gz KQODBJWXKSPAOG-UHFFFAOYSA-N 0 3 331.485 2.698 40 0 EFABHN Cc1ccc([C@@H](C)NCc2cnc(N3CCN(C)CC3)nc2)cc1F ZINC000096474697 473438679 /nfs/dbraw/zinc/43/86/79/473438679.db2.gz UJPUTRQXDLNFAW-OAHLLOKOSA-N 0 3 343.450 2.527 40 0 EFABHN O=S1(=O)CCC[C@@H](NCCCOc2ccc3ccccc3c2)C1 ZINC000096491696 473448202 /nfs/dbraw/zinc/44/82/02/473448202.db2.gz WOZZMLHHZTVXSH-QGZVFWFLSA-N 0 3 333.453 2.776 40 0 EFABHN C[C@H](CN[C@H](CO)c1cnn(C)c1)c1cccc(Br)c1 ZINC000096493849 473449759 /nfs/dbraw/zinc/44/97/59/473449759.db2.gz ZQKWLJGPAFCJPM-IAQYHMDHSA-N 0 3 338.249 2.609 40 0 EFABHN CCOC(=O)N1CCC(N[C@@H](c2nnc3ccccn32)C(C)C)CC1 ZINC000096495246 473450507 /nfs/dbraw/zinc/45/05/07/473450507.db2.gz HSFMIAPQZKTNHS-MRXNPFEDSA-N 0 3 345.447 2.637 40 0 EFABHN Cc1ncc(CN[C@H]2CCN(c3ccccn3)C2)n1-c1ccccc1 ZINC000096494401 473450955 /nfs/dbraw/zinc/45/09/55/473450955.db2.gz UIPJHGBMMDPZDZ-KRWDZBQOSA-N 0 3 333.439 2.944 40 0 EFABHN COc1ccc([C@@H](CN2CCCC2)NC(=O)C2=COCCC2)cc1 ZINC000096499923 473451430 /nfs/dbraw/zinc/45/14/30/473451430.db2.gz CMAJGSIXQGCGCA-GOSISDBHSA-N 0 3 330.428 2.643 40 0 EFABHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccc(F)c(CO)c2)C1 ZINC000096499638 473451870 /nfs/dbraw/zinc/45/18/70/473451870.db2.gz JANHCCYWAMODCC-HNNXBMFYSA-N 0 3 338.423 2.807 40 0 EFABHN O=C(CNC1CC1)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000096499772 473451947 /nfs/dbraw/zinc/45/19/47/473451947.db2.gz YMEINWCOGDSUMM-UHFFFAOYSA-N 0 3 335.860 2.874 40 0 EFABHN COc1cc(-c2ccccc2)ccc1CNC[C@@H]1CN(C)CCN1C ZINC000096500609 473452685 /nfs/dbraw/zinc/45/26/85/473452685.db2.gz XCRNYSIYSXLKGC-HXUWFJFHSA-N 0 3 339.483 2.698 40 0 EFABHN Cc1ccc(CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cn1 ZINC000096503122 473455108 /nfs/dbraw/zinc/45/51/08/473455108.db2.gz CIFBGRACDXOUCQ-HNAYVOBHSA-N 0 3 338.455 2.710 40 0 EFABHN O=C(CN1CC[C@@H](N2CCCC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000170713857 473593712 /nfs/dbraw/zinc/59/37/12/473593712.db2.gz PGSGMYJCPNKAHM-CYBMUJFWSA-N 0 3 325.815 2.588 40 0 EFABHN C[C@]1(CNC(=O)NCc2nccs2)CCCN1Cc1ccccc1 ZINC000186355950 473658815 /nfs/dbraw/zinc/65/88/15/473658815.db2.gz WSXNPQCHIVMGEK-GOSISDBHSA-N 0 3 344.484 2.997 40 0 EFABHN CCNC(=O)N1CC[C@H](N[C@H](C)c2cc(Br)cs2)C1 ZINC000194113436 473843479 /nfs/dbraw/zinc/84/34/79/473843479.db2.gz GWLYRCVVHRXJPS-KOLCDFICSA-N 0 3 346.294 2.965 40 0 EFABHN Cc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000180934102 473988032 /nfs/dbraw/zinc/98/80/32/473988032.db2.gz LIMXGPNKFZCNHR-KFWWJZLASA-N 0 3 349.479 2.704 40 0 EFABHN COc1cc2c(cc1NC(=O)C[C@H]1CNCCO1)oc1ccccc12 ZINC000195531123 474089853 /nfs/dbraw/zinc/08/98/53/474089853.db2.gz NCZUOORITXGXPF-LBPRGKRZSA-N 0 3 340.379 2.912 40 0 EFABHN CN1CCC[C@H](CNC(=O)N2CC[C@@H](COCc3ccccc3)C2)C1 ZINC000195532002 474090485 /nfs/dbraw/zinc/09/04/85/474090485.db2.gz JLPJSNZCSGRQRN-RTBURBONSA-N 0 3 345.487 2.577 40 0 EFABHN CNCC(=O)N[C@@H](C)c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000195543673 474092007 /nfs/dbraw/zinc/09/20/07/474092007.db2.gz RVKUHKNJLHHJHB-QMMMGPOBSA-N 0 3 327.812 2.999 40 0 EFABHN CS[C@@H](CN[C@@H]1CCCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000195549808 474093255 /nfs/dbraw/zinc/09/32/55/474093255.db2.gz HZMOYUDQSCWKEE-KGLIPLIRSA-N 0 3 333.906 2.911 40 0 EFABHN C[C@@H](CN[C@@H](c1ccco1)c1ccc(F)cc1)N1CCN(C)CC1 ZINC000195560640 474095666 /nfs/dbraw/zinc/09/56/66/474095666.db2.gz RMYYPJFWWXNHMZ-HNAYVOBHSA-N 0 3 331.435 2.734 40 0 EFABHN C[C@H](CN[C@@H](c1ccco1)c1ccc(F)cc1)N1CCN(C)CC1 ZINC000195560642 474096237 /nfs/dbraw/zinc/09/62/37/474096237.db2.gz RMYYPJFWWXNHMZ-DNVCBOLYSA-N 0 3 331.435 2.734 40 0 EFABHN Cc1cc(Cl)ccc1CNCC1(CS(C)(=O)=O)CCOCC1 ZINC000195565672 474097448 /nfs/dbraw/zinc/09/74/48/474097448.db2.gz FKWORRGDOCHUHP-UHFFFAOYSA-N 0 3 345.892 2.579 40 0 EFABHN CCN1CCN(C[C@@H](C)CNc2ccc(Br)cn2)CC1 ZINC000195575058 474099231 /nfs/dbraw/zinc/09/92/31/474099231.db2.gz JWNVZKYPFHZEFG-ZDUSSCGKSA-N 0 3 341.297 2.530 40 0 EFABHN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCN(C)CC1 ZINC000222881073 474176265 /nfs/dbraw/zinc/17/62/65/474176265.db2.gz SHSRTPZCMNQILF-LJQANCHMSA-N 0 3 330.472 2.933 40 0 EFABHN CN1CCC(Oc2ccc(CNC(=O)NCc3ccco3)cc2)CC1 ZINC000225433419 474212217 /nfs/dbraw/zinc/21/22/17/474212217.db2.gz XZSIVAFUHJIFIY-UHFFFAOYSA-N 0 3 343.427 2.752 40 0 EFABHN CNCC(=O)N[C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000225471662 474215159 /nfs/dbraw/zinc/21/51/59/474215159.db2.gz SHFTUDUMIMANOW-OQPBUACISA-N 0 3 329.263 2.568 40 0 EFABHN CC1=CCC[C@H](C)[C@@H]1CN1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000225515044 474221103 /nfs/dbraw/zinc/22/11/03/474221103.db2.gz KRLFEBASHXAORQ-IPMKNSEASA-N 0 3 333.520 2.607 40 0 EFABHN COc1cccc(CN2CC[C@]3(CCC[C@H]3C(=O)N3CCCC3)C2)n1 ZINC000247894583 474222501 /nfs/dbraw/zinc/22/25/01/474222501.db2.gz CAWRHIMPIGMXPX-FXAWDEMLSA-N 0 3 343.471 2.705 40 0 EFABHN c1ccc2c(c1)OC[C@@H](CN[C@@H](c1cccnc1)C1CCOCC1)O2 ZINC000225573006 474226368 /nfs/dbraw/zinc/22/63/68/474226368.db2.gz JKYUMTOANXVWKX-YLJYHZDGSA-N 0 3 340.423 2.979 40 0 EFABHN CN1CC[C@H](Nc2nccn3c2nnc3C2CC2)[C@@H]1c1ccccc1 ZINC000225599926 474228681 /nfs/dbraw/zinc/22/86/81/474228681.db2.gz PPAIESSKKICYPF-HOTGVXAUSA-N 0 3 334.427 2.859 40 0 EFABHN O=C([C@@H]1CCCN1CCCCC1CCOCC1)N1CCSCC1 ZINC000225626705 474230549 /nfs/dbraw/zinc/23/05/49/474230549.db2.gz XKTAVLGFWCUZEQ-KRWDZBQOSA-N 0 3 340.533 2.623 40 0 EFABHN C[C@H](Cc1ccc(Br)cc1)NC[C@@H]1CCCS1(=O)=O ZINC000225631428 474231249 /nfs/dbraw/zinc/23/12/49/474231249.db2.gz WSPXGECMPKPNEP-RISCZKNCSA-N 0 3 346.290 2.547 40 0 EFABHN CC(=O)N1C[C@H](COCC2CC2)C2(C1)CCN(Cc1ccoc1)CC2 ZINC000247957376 474231994 /nfs/dbraw/zinc/23/19/94/474231994.db2.gz TYJQHKFTQYSZBJ-LJQANCHMSA-N 0 3 346.471 2.767 40 0 EFABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2cccs2)CC1 ZINC000226260872 474239545 /nfs/dbraw/zinc/23/95/45/474239545.db2.gz ITXJQGBBORFPKO-UHFFFAOYSA-N 0 3 330.457 2.725 40 0 EFABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2ccc(F)cc2)CC1 ZINC000226258922 474239862 /nfs/dbraw/zinc/23/98/62/474239862.db2.gz RFEFGSAIZDDPBM-UHFFFAOYSA-N 0 3 342.418 2.802 40 0 EFABHN COc1ccccc1[C@]1(O)CCC[C@H]2CN(Cc3ccnn3C)C[C@H]21 ZINC000248025232 474245715 /nfs/dbraw/zinc/24/57/15/474245715.db2.gz JILHQMTWRIDWPC-QKYXUNIQSA-N 0 3 341.455 2.548 40 0 EFABHN C[C@@H]1CCc2nc(NC(=O)C3=CC4C=CC=C[C@H]4OC3=O)sc2C1 ZINC000245241485 474572206 /nfs/dbraw/zinc/57/22/06/474572206.db2.gz FVKQGVCDINMMBG-JTNHKYCSSA-N 0 3 342.420 2.800 40 0 EFABHN CCc1nc2ccccc2c(N2CC[C@](O)(c3nc(C)no3)C2)c1C ZINC000252487065 474673393 /nfs/dbraw/zinc/67/33/93/474673393.db2.gz HRPPLCSKKIOEKP-LJQANCHMSA-N 0 3 338.411 2.895 40 0 EFABHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC1=CCOCC1 ZINC000253370769 474728344 /nfs/dbraw/zinc/72/83/44/474728344.db2.gz VVUZWWUATXCKBM-QFBILLFUSA-N 0 3 343.471 2.543 40 0 EFABHN CC(C)N1CCN2[C@H](CN(C(=O)c3ccc(Cl)cc3)CC2(C)C)C1 ZINC000253401755 474737576 /nfs/dbraw/zinc/73/75/76/474737576.db2.gz NLZQQIKSMGDOBW-KRWDZBQOSA-N 0 3 349.906 2.969 40 0 biogenic,in-vitro EFABHN COc1ccc(CN2C[C@@H]3CN(C4CCC4)CCN3C(C)(C)C2)cc1 ZINC000253405471 474739265 /nfs/dbraw/zinc/73/92/65/474739265.db2.gz SMIZYCLXLKADIW-LJQANCHMSA-N 0 3 343.515 2.828 40 0 biogenic,in-vitro EFABHN COc1ccc(CN2C[C@@H]3CN(C(C)C)CCN3C(C)(C)C2)cc1 ZINC000253402871 474739337 /nfs/dbraw/zinc/73/93/37/474739337.db2.gz OZCSJGBECAOXTM-GOSISDBHSA-N 0 3 331.504 2.684 40 0 biogenic,in-vitro EFABHN Cn1ccc(CNC[C@@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000253415595 474741546 /nfs/dbraw/zinc/74/15/46/474741546.db2.gz GQXXLQCJRDVKAQ-ZDUSSCGKSA-N 0 3 349.276 2.799 40 0 EFABHN C[C@H](c1ccccc1)N1CCC(N2C(=O)[C@@H]3CCCN3C2=O)CC1 ZINC000253420227 474746456 /nfs/dbraw/zinc/74/64/56/474746456.db2.gz JFEACUCBOJSTTD-PBHICJAKSA-N 0 3 327.428 2.639 40 0 EFABHN CNc1cncc([C@H]2CCCN2C(=O)c2ccc(CN(C)C)cc2)n1 ZINC000257281396 474929384 /nfs/dbraw/zinc/92/93/84/474929384.db2.gz OOYWLNZUUZSQJV-QGZVFWFLSA-N 0 3 339.443 2.557 40 0 EFABHN Cc1cc(CN2CCc3nc(C4CC[NH2+]CC4)[n-]c(=O)c3C2)cs1 ZINC000257280917 474930349 /nfs/dbraw/zinc/93/03/49/474930349.db2.gz OMYHVMWHTRDWJH-UHFFFAOYSA-N 0 3 344.484 2.577 40 0 EFABHN NCc1cnn(-c2ccccc2C(=O)NCc2ccccc2Cl)c1 ZINC000257281697 474930783 /nfs/dbraw/zinc/93/07/83/474930783.db2.gz OQNXRIJICKQHAD-UHFFFAOYSA-N 0 3 340.814 2.914 40 0 EFABHN COCCN1CCC(c2ccnc(Nc3ccc(C)cn3)n2)CC1 ZINC000257290752 474933901 /nfs/dbraw/zinc/93/39/01/474933901.db2.gz QEEAKKJKDFLUQJ-UHFFFAOYSA-N 0 3 327.432 2.749 40 0 EFABHN CNc1ncccc1CN1CC[C@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257291458 474936871 /nfs/dbraw/zinc/93/68/71/474936871.db2.gz QHANIWJDCZKHHG-HNNXBMFYSA-N 0 3 325.460 2.882 40 0 EFABHN O[C@@]1(COc2ccccc2)CCCN(Cc2ccc3[nH]cnc3c2)C1 ZINC000257295732 474937592 /nfs/dbraw/zinc/93/75/92/474937592.db2.gz QZQBMPBENKBVGS-FQEVSTJZSA-N 0 3 337.423 2.969 40 0 EFABHN O[C@@]1(COc2ccccc2)CCCN(Cc2ccc3nc[nH]c3c2)C1 ZINC000257295732 474937602 /nfs/dbraw/zinc/93/76/02/474937602.db2.gz QZQBMPBENKBVGS-FQEVSTJZSA-N 0 3 337.423 2.969 40 0 EFABHN Cc1c[nH]c(-c2cc(C[C@H]3CCN(Cc4ccccn4)C3)ncn2)n1 ZINC000257299100 474941594 /nfs/dbraw/zinc/94/15/94/474941594.db2.gz ROSAWMIGMQNNMH-OAHLLOKOSA-N 0 3 334.427 2.635 40 0 EFABHN Cc1cccc(Nc2nccnc2C2CCN([C@H]3CCOC3)CC2)n1 ZINC000257306752 474944519 /nfs/dbraw/zinc/94/45/19/474944519.db2.gz SVRJUMDZBLUBCM-INIZCTEOSA-N 0 3 339.443 2.892 40 0 EFABHN CN1CCCC[C@@H]2[C@@H]1C[C@H](c1ccccc1)N2C(=O)Cn1cccn1 ZINC000257309391 474945459 /nfs/dbraw/zinc/94/54/59/474945459.db2.gz UATJMTPASGOXCT-QRVBRYPASA-N 0 3 338.455 2.710 40 0 EFABHN NC(=O)[C@@]1(CCCc2ccccn2)CCCN(Cc2cccnc2)C1 ZINC000257319674 474951343 /nfs/dbraw/zinc/95/13/43/474951343.db2.gz VTOMSEIJDYLAJE-FQEVSTJZSA-N 0 3 338.455 2.567 40 0 EFABHN Cc1ncsc1CN1CC[C@@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 ZINC000257326502 474955598 /nfs/dbraw/zinc/95/55/98/474955598.db2.gz WXJZGMSIMJCMOL-ZDUSSCGKSA-N 0 3 340.456 2.696 40 0 EFABHN NC(=O)c1cc(C[C@@H]2CCCN(Cc3ccccc3F)CC2)ncn1 ZINC000257324133 474956286 /nfs/dbraw/zinc/95/62/86/474956286.db2.gz WNHNVONYVNMAQN-CQSZACIVSA-N 0 3 342.418 2.559 40 0 EFABHN CNC(=O)CCc1cc(C)nc([C@@H]2CCCN2C2CCCCC2)n1 ZINC000257333229 474959565 /nfs/dbraw/zinc/95/95/65/474959565.db2.gz YASVVIHDRVXMNH-KRWDZBQOSA-N 0 3 330.476 2.933 40 0 EFABHN Cc1nc([C@@H]2CCCN2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000257337980 474961008 /nfs/dbraw/zinc/96/10/08/474961008.db2.gz YVHJDLSKRUNMFS-INIZCTEOSA-N 0 3 340.402 2.828 40 0 EFABHN Cn1cc(CN2CCC3(CC2)OCCC[C@@H]3O)c2cc(F)ccc21 ZINC000257343612 474965746 /nfs/dbraw/zinc/96/57/46/474965746.db2.gz ZTRYWJSODAFPHH-SFHVURJKSA-N 0 3 332.419 2.823 40 0 EFABHN Cc1cc(S(=O)(=O)NCCCN2CCC[C@H](C)C2)ccc1F ZINC000260801805 474973889 /nfs/dbraw/zinc/97/38/89/474973889.db2.gz NCKFVOZWAJNQIU-ZDUSSCGKSA-N 0 3 328.453 2.534 40 0 EFABHN COc1cc(C)c(CN(C)[C@@H]2CCCN(c3cccnn3)C2)c(C)n1 ZINC000331870264 475440167 /nfs/dbraw/zinc/44/01/67/475440167.db2.gz UPLJYWWKFOWLNY-MRXNPFEDSA-N 0 3 341.459 2.598 40 0 EFABHN COc1cc(NC(=O)N2CCCN(C)CC2)cc(OC)c1C(C)C ZINC000390833416 476805287 /nfs/dbraw/zinc/80/52/87/476805287.db2.gz HFSZGYZHVGPOOX-UHFFFAOYSA-N 0 3 335.448 2.997 40 0 EFABHN C[C@H]1C[C@H](NC(=O)Cc2cc(Br)ccc2F)CCN1C ZINC000390835084 476805825 /nfs/dbraw/zinc/80/58/25/476805825.db2.gz CGRYFZYUAWPFHG-GXFFZTMASA-N 0 3 343.240 2.730 40 0 EFABHN O=C1CC[C@H](NCc2ccsc2C(F)(F)F)[C@H]([C@H]2CCCO2)N1 ZINC000529574786 479211410 /nfs/dbraw/zinc/21/14/10/479211410.db2.gz WUWNKTKBCDBFJW-DMDPSCGWSA-N 0 3 348.390 2.683 40 0 EFABHN CC(C)CCN1CCC[C@]2(CC(C(=O)NC3CC(F)(F)C3)=NO2)C1 ZINC000585101089 479282536 /nfs/dbraw/zinc/28/25/36/479282536.db2.gz CKGYLJBRQMQRGX-INIZCTEOSA-N 0 3 343.418 2.557 40 0 EFABHN Cc1c(CN2CCC[C@]3(CCC(=O)N3C)CC2)nc2ccccn12 ZINC000585100740 479282590 /nfs/dbraw/zinc/28/25/90/479282590.db2.gz VCFKWYFVSOMCOZ-IBGZPJMESA-N 0 3 326.444 2.620 40 0 EFABHN CCOC[C@@H]1CCN(C)C2(CN(Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000585103075 479284434 /nfs/dbraw/zinc/28/44/34/479284434.db2.gz PPNKYYLFPDZXGU-MRXNPFEDSA-N 0 3 348.487 2.637 40 0 EFABHN Cc1cccc(CN2CCOC[C@@]3(CC(=O)N(CC(C)C)C3)C2)c1 ZINC000585103398 479284488 /nfs/dbraw/zinc/28/44/88/479284488.db2.gz BTSDWYXWQPYLNJ-FQEVSTJZSA-N 0 3 330.472 2.702 40 0 EFABHN CCn1cc(CN2CCC3(CC(NC(=O)OC(C)C)C3)CC2)cn1 ZINC000585104130 479285585 /nfs/dbraw/zinc/28/55/85/479285585.db2.gz WYGUEJHLXOPRGF-UHFFFAOYSA-N 0 3 334.464 2.782 40 0 EFABHN COC(=O)c1ccc(CN[C@H](C)[C@H](c2ccccc2)N(C)C)n1C ZINC000585141091 479299130 /nfs/dbraw/zinc/29/91/30/479299130.db2.gz PGQMVGOBDUMILU-RDTXWAMCSA-N 0 3 329.444 2.593 40 0 EFABHN Cc1ccccc1[C@H]1CN(Cc2ccc(Cl)cc2)[C@H](CO)[C@@H]1O ZINC000585295132 479311010 /nfs/dbraw/zinc/31/10/10/479311010.db2.gz MSODWVOBJCZURS-GUDVDZBRSA-N 0 3 331.843 2.970 40 0 EFABHN COC(=O)c1coc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)c1 ZINC000184077092 534313673 /nfs/dbraw/zinc/31/36/73/534313673.db2.gz VUVNRSWAUBYZLZ-HNNXBMFYSA-N 0 3 340.379 2.691 40 0 EFABHN CC1(C)[C@H](N[C@@H]2CCN(c3ccccc3Cl)C2=O)[C@@H]2CCO[C@@H]21 ZINC000153608059 527876207 /nfs/dbraw/zinc/87/62/07/527876207.db2.gz RQZNFBLJHSWOJI-ZCDTZLGTSA-N 0 3 334.847 2.848 40 0 EFABHN CC(C)N(C)c1ccc(CN[C@H]2CCN(c3ccccn3)C2)cn1 ZINC000191475308 528842962 /nfs/dbraw/zinc/84/29/62/528842962.db2.gz NPKUJSKJHWNSPX-KRWDZBQOSA-N 0 3 325.460 2.690 40 0 EFABHN CN1CCN(C2(CNC(=O)c3ccc(F)cc3)CCCCC2)CC1 ZINC000032611733 1099507176 /nfs/dbraw/zinc/50/71/76/1099507176.db2.gz FGGMHTMMIFVSHT-UHFFFAOYSA-N 0 3 333.451 2.506 40 0 EFABHN C[C@@H](C(=O)NC(=O)NC1CCCC1)N(C)CCCc1ccccc1 ZINC000052802730 214147134 /nfs/dbraw/zinc/14/71/34/214147134.db2.gz NHABFBULDXJPGP-HNNXBMFYSA-N 0 3 331.460 2.708 40 0 EFABHN Cc1nnc([C@H]2CC[C@@H]3[C@@H](CCN3CCOCc3ccccc3)O2)o1 ZINC000097953622 219064986 /nfs/dbraw/zinc/06/49/86/219064986.db2.gz MHPABQOSZOJTCK-KZNAEPCWSA-N 0 3 343.427 2.889 40 0 EFABHN CN1C[C@H](COCC2CC2)[C@H]2CCN(Cc3ccoc3)CC[C@H]2C1=O ZINC000097953627 219065007 /nfs/dbraw/zinc/06/50/07/219065007.db2.gz LFLFPUZIGYORTH-GUDVDZBRSA-N 0 3 346.471 2.623 40 0 EFABHN COc1ccc(C(=O)N2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000004538440 210216471 /nfs/dbraw/zinc/21/64/71/210216471.db2.gz ZWUFFHHUFFLOMC-NJAFHUGGSA-N 0 3 326.440 2.665 40 0 EFABHN CCOc1ccc(N2C(=O)C[C@H](NC3CCC(C)CC3)C2=O)cc1 ZINC000100594378 219103061 /nfs/dbraw/zinc/10/30/61/219103061.db2.gz MYXUSYFLIBIYLP-KVULBXGLSA-N 0 3 330.428 2.886 40 0 EFABHN Cc1noc(C)c1CN1CCc2ncnc(-c3ccncc3)c2CC1 ZINC000096255233 282385166 /nfs/dbraw/zinc/38/51/66/282385166.db2.gz LBIMHLMTISNUQT-UHFFFAOYSA-N 0 3 335.411 2.744 40 0 EFABHN CCN(CC)CCOC(=O)C[C@@](C)(O)[C@H]1CCO[C@](C)(CC)C1 ZINC000004027465 210103068 /nfs/dbraw/zinc/10/30/68/210103068.db2.gz NJVWNHTWZNLWLA-CGTJXYLNSA-N 0 3 329.481 2.608 40 0 EFABHN CC[C@@]1(C)C[C@@H]([C@H](O)CNCc2ccc(OC)c(OC)c2)CCO1 ZINC000004025609 210101025 /nfs/dbraw/zinc/10/10/25/210101025.db2.gz RMOMIOWOQMAUHS-FCEWJHQRSA-N 0 3 337.460 2.750 40 0 EFABHN CN(Cc1cc(CC2(NC3CCC3)COC2)no1)Cc1ccccc1 ZINC000067898104 215246348 /nfs/dbraw/zinc/24/63/48/215246348.db2.gz CIQGQHSYAVXOHG-UHFFFAOYSA-N 0 3 341.455 2.760 40 0 biogenic,in-vitro EFABHN COc1ccc([C@H](Cc2ccccc2Cl)N(CCO)CCO)cc1 ZINC000001668854 209778564 /nfs/dbraw/zinc/77/85/64/209778564.db2.gz OAZIQQIZCPUIDD-IBGZPJMESA-N 0 3 349.858 2.919 40 0 EFABHN Fc1cnc(N2CCC[C@@]3(CCN(Cc4ccncc4)C3)C2)nc1 ZINC000096158310 283033479 /nfs/dbraw/zinc/03/34/79/283033479.db2.gz LODXNLGHQFWIQK-SFHVURJKSA-N 0 3 327.407 2.503 40 0 EFABHN COc1ccc(CCNC(=S)NC[C@H](C)N2CCCC[C@H]2C)cc1 ZINC000036847511 213122129 /nfs/dbraw/zinc/12/21/29/213122129.db2.gz FWSQFPQSUBOLNV-CVEARBPZSA-N 0 3 349.544 2.965 40 0 EFABHN C[C@@H](C(=O)NCc1ccc(CN(C)C)cc1)n1cnc2ccccc21 ZINC000036834365 213120796 /nfs/dbraw/zinc/12/07/96/213120796.db2.gz RRRSWDWXEDUWQA-HNNXBMFYSA-N 0 3 336.439 2.975 40 0 EFABHN O=C1CCCN1c1ccc(CN2CC[C@@](O)(c3ccccc3)C2)cc1 ZINC000036743617 213116599 /nfs/dbraw/zinc/11/65/99/213116599.db2.gz CMDKBESPMMDBNK-NRFANRHFSA-N 0 3 336.435 2.907 40 0 EFABHN Cc1cc(C(=O)NCc2ccc(F)cc2)nc(C2CCN(C)CC2)n1 ZINC000072365924 216171554 /nfs/dbraw/zinc/17/15/54/216171554.db2.gz PXWAIPVCRKHGHU-UHFFFAOYSA-N 0 3 342.418 2.663 40 0 EFABHN NC(=O)[C@]1(CCCc2ccccn2)CCCN(Cc2ccncc2)C1 ZINC000072367238 216173651 /nfs/dbraw/zinc/17/36/51/216173651.db2.gz CLUMCUWEEMTOOK-HXUWFJFHSA-N 0 3 338.455 2.567 40 0 EFABHN CNc1cc(Nc2nccc([C@H]3CCCN(C(C)C)C3)n2)ncn1 ZINC000072377458 216178528 /nfs/dbraw/zinc/17/85/28/216178528.db2.gz VGPHVEOIMHJAJB-ZDUSSCGKSA-N 0 3 327.436 2.640 40 0 EFABHN COCCN1CCC[C@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 ZINC000072377554 216178564 /nfs/dbraw/zinc/17/85/64/216178564.db2.gz SRAKQMQWHUNAMJ-HNNXBMFYSA-N 0 3 327.432 2.749 40 0 EFABHN CC(C)(N)C(=O)N1CCC[C@@H]1c1cncc(Oc2ccccc2)n1 ZINC000072384392 216185545 /nfs/dbraw/zinc/18/55/45/216185545.db2.gz FSIUGCKYGJDXQQ-OAHLLOKOSA-N 0 3 326.400 2.670 40 0 EFABHN Cc1nc(C(=O)NCCc2ccccc2)cc([C@@H]2CCCN(C)C2)n1 ZINC000072382871 216183862 /nfs/dbraw/zinc/18/38/62/216183862.db2.gz TYCYVENPMYITSH-QGZVFWFLSA-N 0 3 338.455 2.567 40 0 EFABHN Cc1nn(C)cc1CN1CCC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000072389993 216189134 /nfs/dbraw/zinc/18/91/34/216189134.db2.gz CPMQRLNKUJFRME-HNNXBMFYSA-N 0 3 338.415 2.553 40 0 EFABHN O=c1cc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392919 216191043 /nfs/dbraw/zinc/19/10/43/216191043.db2.gz NPXUZFUBBKBAIC-QGZVFWFLSA-N 0 3 347.422 2.607 40 0 EFABHN O=c1cc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392919 216191045 /nfs/dbraw/zinc/19/10/45/216191045.db2.gz NPXUZFUBBKBAIC-QGZVFWFLSA-N 0 3 347.422 2.607 40 0 EFABHN O=c1cc([C@H]2CCC[N@H+](Cc3ccncc3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393077 216191060 /nfs/dbraw/zinc/19/10/60/216191060.db2.gz BEMSKFYODNEQOH-KRWDZBQOSA-N 0 3 347.422 2.607 40 0 EFABHN O=c1cc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393077 216191064 /nfs/dbraw/zinc/19/10/64/216191064.db2.gz BEMSKFYODNEQOH-KRWDZBQOSA-N 0 3 347.422 2.607 40 0 EFABHN Cn1nc([C@@H]2CCCN(Cc3cccc(F)c3)C2)c2nccnc21 ZINC000072393844 216192348 /nfs/dbraw/zinc/19/23/48/216192348.db2.gz BWXMEBICDHBSAB-CQSZACIVSA-N 0 3 325.391 2.882 40 0 EFABHN COc1cccc(OC)c1CN(CCN(C)C)Cc1cccnc1 ZINC000022931525 212336262 /nfs/dbraw/zinc/33/62/62/212336262.db2.gz BPLYHYMOVGMXDJ-UHFFFAOYSA-N 0 3 329.444 2.663 40 0 EFABHN CN(C)CCN(Cc1ccnn1[C@H]1CCCCO1)Cc1ccccn1 ZINC000022913977 212335142 /nfs/dbraw/zinc/33/51/42/212335142.db2.gz HPTPPJNOBBGRAT-LJQANCHMSA-N 0 3 343.475 2.541 40 0 EFABHN CC(C)CN1CCO[C@@H](CSc2n[nH]c(-c3cccs3)n2)C1 ZINC000022227500 212282171 /nfs/dbraw/zinc/28/21/71/212282171.db2.gz CAFJUYMSMZTYDL-GFCCVEGCSA-N 0 3 338.502 2.982 40 0 EFABHN CN(C)CCNc1nc(Cl)nc(Nc2cccc(Cl)c2)n1 ZINC000199799945 241039638 /nfs/dbraw/zinc/03/96/38/241039638.db2.gz KOHOSNLQOSXROF-UHFFFAOYSA-N 0 3 327.219 2.896 40 0 EFABHN Clc1cccc(Cl)c1Cc1nsc(N2CCNCC2)n1 ZINC000216643328 241202583 /nfs/dbraw/zinc/20/25/83/241202583.db2.gz AAWQARZJEAQMGG-UHFFFAOYSA-N 0 3 329.256 2.845 40 0 EFABHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccccn2)C1 ZINC000075862090 216660285 /nfs/dbraw/zinc/66/02/85/216660285.db2.gz SQLYOORZGMLKSP-ZDUSSCGKSA-N 0 3 329.366 2.704 40 0 EFABHN CN1C[C@@H](c2ccccc2)[C@H](C(=O)Nc2nnc(C3CC3)s2)C1 ZINC000230104064 242231862 /nfs/dbraw/zinc/23/18/62/242231862.db2.gz XRIYYAKHQNIHSG-UONOGXRCSA-N 0 3 328.441 2.699 40 0 EFABHN C[C@H]1C[C@@H](NC(=O)NCCC2(O)CCC2)CCN1Cc1ccccc1 ZINC000241795536 243004341 /nfs/dbraw/zinc/00/43/41/243004341.db2.gz RZZPUBTTXNAANK-WMZOPIPTSA-N 0 3 345.487 2.644 40 0 EFABHN c1cc2n(n1)C[C@@H](OCc1ccncc1)CN(CC1CCCC1)C2 ZINC000253588543 244025695 /nfs/dbraw/zinc/02/56/95/244025695.db2.gz HFJISJMGGRHTOT-IBGZPJMESA-N 0 3 326.444 2.869 40 0 EFABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](CN)c2cccc(Cl)c2)C1 ZINC000255976635 244057541 /nfs/dbraw/zinc/05/75/41/244057541.db2.gz HLKRLEGOUNMEFF-HUUCEWRRSA-N 0 3 339.867 2.939 40 0 EFABHN C[C@@H]1CN(Cc2ccoc2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000253603153 244034514 /nfs/dbraw/zinc/03/45/14/244034514.db2.gz BNZWGNPSEMERGT-DKSSEZFCSA-N 0 3 332.444 2.565 40 0 EFABHN CC(C)Cc1nsc(NC2CCN([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000253630082 244041531 /nfs/dbraw/zinc/04/15/31/244041531.db2.gz AKTKPKTVSJGYAP-GJZGRUSLSA-N 0 3 338.521 2.916 40 0 EFABHN CNC(=O)c1cccc([C@@H]2CN(Cc3sccc3C)CCN2C)c1 ZINC000257200475 244118854 /nfs/dbraw/zinc/11/88/54/244118854.db2.gz ADMYPVTVWSARLK-KRWDZBQOSA-N 0 3 343.496 2.905 40 0 EFABHN Cn1ccnc1C(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2C ZINC000257201847 244120364 /nfs/dbraw/zinc/12/03/64/244120364.db2.gz AJGQVJFVUYDSQA-OKZBNKHCSA-N 0 3 338.455 2.860 40 0 EFABHN COc1cc(CN2CCC3(CC2)OCCC[C@H]3OC)cc(OC)c1 ZINC000257212729 244157393 /nfs/dbraw/zinc/15/73/93/244157393.db2.gz CERRIRWXRSZKBZ-GOSISDBHSA-N 0 3 335.444 2.864 40 0 EFABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3ccc(C)c(F)c3)CCO2)n1 ZINC000257219982 244180868 /nfs/dbraw/zinc/18/08/68/244180868.db2.gz DJBLDKXEVNRKIB-KRWDZBQOSA-N 0 3 329.375 2.633 40 0 EFABHN Nc1cc(CC[C@H]2CN(Cc3cccc4[nH]ccc43)CCO2)ccn1 ZINC000257234064 244224223 /nfs/dbraw/zinc/22/42/23/244224223.db2.gz GRXOKROWBINHHB-KRWDZBQOSA-N 0 3 336.439 2.979 40 0 EFABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 ZINC000257246389 244257582 /nfs/dbraw/zinc/25/75/82/244257582.db2.gz ITYANZLAIPRJQX-QGZVFWFLSA-N 0 3 345.468 2.660 40 0 EFABHN CC(=O)NCc1cncc([C@H]2CCCN2CCCc2ccccc2)n1 ZINC000257251144 244268628 /nfs/dbraw/zinc/26/86/28/244268628.db2.gz JPOOLRJCKNBZJN-HXUWFJFHSA-N 0 3 338.455 2.882 40 0 EFABHN CC(=O)Nc1nc(C)c(-c2nccnc2[C@@H]2CCCN(C)C2)s1 ZINC000257258244 244287871 /nfs/dbraw/zinc/28/78/71/244287871.db2.gz KSYKTLLOEAKMAI-GFCCVEGCSA-N 0 3 331.445 2.676 40 0 EFABHN Cn1cnc(CN2CCN(C)C[C@H](Cc3cccc4cccnc43)C2)c1 ZINC000257270387 244376520 /nfs/dbraw/zinc/37/65/20/244376520.db2.gz MUAOLEFBTZBCGG-KRWDZBQOSA-N 0 3 349.482 2.575 40 0 EFABHN COc1cc2c(cc1CN1CC[C@@](O)(c3ccccc3)C1)OCCO2 ZINC000019550534 212041632 /nfs/dbraw/zinc/04/16/32/212041632.db2.gz MUQZUFMQENGHER-FQEVSTJZSA-N 0 3 341.407 2.560 40 0 EFABHN CC[C@H](c1nnnn1C1CCCC1)N1CCN(C2CCCC2)CC1 ZINC000019500593 212033637 /nfs/dbraw/zinc/03/36/37/212033637.db2.gz BEXRAVOPCUHJJV-QGZVFWFLSA-N 0 3 332.496 2.800 40 0 EFABHN OC1(Cn2ccc3ncccc32)C[C@H]2CC[C@@H](C1)N2Cc1cccnc1 ZINC000019338738 212018485 /nfs/dbraw/zinc/01/84/85/212018485.db2.gz MPBUPSDPIBQIFQ-HTZLVSCSSA-N 0 3 348.450 2.989 40 0 EFABHN COc1ccc(CN2CCC(c3nn(C)c4nccnc34)CC2)cc1 ZINC000019289444 212011853 /nfs/dbraw/zinc/01/18/53/212011853.db2.gz AMZMZTDCGDMTEZ-UHFFFAOYSA-N 0 3 337.427 2.752 40 0 EFABHN Cc1nccn1CC1(O)CCN(Cc2cccc3cccnc32)CC1 ZINC000019288000 212011245 /nfs/dbraw/zinc/01/12/45/212011245.db2.gz IELDZEGULBXQPP-UHFFFAOYSA-N 0 3 336.439 2.767 40 0 EFABHN CN1CCC[C@H](c2ncc3c(n2)CCN(C(=O)CC(C)(C)C)C3)C1 ZINC000019082709 212000333 /nfs/dbraw/zinc/00/03/33/212000333.db2.gz FTYXQYDGLFPITN-AWEZNQCLSA-N 0 3 330.476 2.607 40 0 EFABHN COc1ccc([C@H](C)NC(=O)N(C)CC2CCN(C)CC2)cc1F ZINC000078441082 217052551 /nfs/dbraw/zinc/05/25/51/217052551.db2.gz UGPGNIVNXGCFRY-ZDUSSCGKSA-N 0 3 337.439 2.879 40 0 EFABHN CCN1CCN(CCC(=O)N[C@@H](C)c2ccc(Cl)s2)CC1 ZINC000078394347 217046392 /nfs/dbraw/zinc/04/63/92/217046392.db2.gz RHQMOYNTFLDQEV-LBPRGKRZSA-N 0 3 329.897 2.606 40 0 EFABHN CC(C)CN(CCN(C)C)C(=O)Cc1csc(-c2cccnc2)n1 ZINC000078394453 217046693 /nfs/dbraw/zinc/04/66/93/217046693.db2.gz KLVLTFCGRHXIKQ-UHFFFAOYSA-N 0 3 346.500 2.794 40 0 EFABHN Cc1cc(CNCc2cccc(NC(=O)CN(C)C)c2)ccc1F ZINC000078552323 217073616 /nfs/dbraw/zinc/07/36/16/217073616.db2.gz QJFSNGYPTUVPJB-UHFFFAOYSA-N 0 3 329.419 2.924 40 0 EFABHN c1cc(CN2CCCCC2)cc(-c2noc([C@H]3COCCO3)n2)c1 ZINC000078774539 217118272 /nfs/dbraw/zinc/11/82/72/217118272.db2.gz UVFYCABLBOBFBV-MRXNPFEDSA-N 0 3 329.400 2.810 40 0 EFABHN COc1cccc(NC2CCN(CCC(=O)NC(C)(C)C)CC2)c1 ZINC000078923154 217149058 /nfs/dbraw/zinc/14/90/58/217149058.db2.gz CZEKALHMRZCUPK-UHFFFAOYSA-N 0 3 333.476 2.876 40 0 EFABHN C[C@@H](NC1(CNC(=O)c2cccnc2)CCOCC1)c1ccccc1 ZINC000079096119 217191297 /nfs/dbraw/zinc/19/12/97/217191297.db2.gz DOWZHIRMJBDAGA-MRXNPFEDSA-N 0 3 339.439 2.711 40 0 EFABHN Cc1cc(NC[C@@H]2CCCN(C)[C@H]2c2cccs2)n2ncnc2n1 ZINC000110627409 220049932 /nfs/dbraw/zinc/04/99/32/220049932.db2.gz QJLQQKPCMNBFNY-XJKSGUPXSA-N 0 3 342.472 2.989 40 0 EFABHN O=C(OCc1ccccc1)N(C[C@H]1CCCCN1CCO)C1CC1 ZINC000079411287 217221622 /nfs/dbraw/zinc/22/16/22/217221622.db2.gz DPUUHHOOVQEUHA-GOSISDBHSA-N 0 3 332.444 2.634 40 0 EFABHN CC(C)[C@H](N)C(=O)N1CCC[C@H](N(C(=O)OC(C)(C)C)C(C)C)C1 ZINC000079410263 217222480 /nfs/dbraw/zinc/22/24/80/217222480.db2.gz FSVSGRVRPQLVRX-GJZGRUSLSA-N 0 3 341.496 2.606 40 0 EFABHN C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000110715268 220061102 /nfs/dbraw/zinc/06/11/02/220061102.db2.gz SGEJTEPXQJUNIM-TXPKVOOTSA-N 0 3 338.455 2.962 40 0 EFABHN Cc1ccc(CCCC(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)s1 ZINC000079545909 217239411 /nfs/dbraw/zinc/23/94/11/217239411.db2.gz COXMAWNJRZSUBJ-QGZVFWFLSA-N 0 3 349.544 2.618 40 0 EFABHN CCN(CCNC(=O)c1cccc(-c2noc(C3CC3)n2)c1)C1CC1 ZINC000079995997 217270314 /nfs/dbraw/zinc/27/03/14/217270314.db2.gz ZBIQZEYWEDSIAM-UHFFFAOYSA-N 0 3 340.427 2.828 40 0 EFABHN Cc1ccoc1CNC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000266168011 248145058 /nfs/dbraw/zinc/14/50/58/248145058.db2.gz BEFJXPLIBJSAFN-UHFFFAOYSA-N 0 3 348.468 2.839 40 0 EFABHN CCOc1ccc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1OC ZINC000012366566 211356576 /nfs/dbraw/zinc/35/65/76/211356576.db2.gz FJAUNPKSRMGRNF-NVXWUHKLSA-N 0 3 346.427 2.738 40 0 EFABHN CN(CCN1CCCCC1)C(=O)Cc1csc(-c2cccnc2)n1 ZINC000012325915 211349398 /nfs/dbraw/zinc/34/93/98/211349398.db2.gz YNGMMAKVLIZOOY-UHFFFAOYSA-N 0 3 344.484 2.692 40 0 EFABHN COc1ccc([C@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012292460 211335698 /nfs/dbraw/zinc/33/56/98/211335698.db2.gz PVTATJMUURQHFF-LJQANCHMSA-N 0 3 345.414 2.851 40 0 EFABHN CC[C@H](CN1CCCCC1)NC(=O)Cc1ccc2c(c1)OCCCO2 ZINC000012239782 211328254 /nfs/dbraw/zinc/32/82/54/211328254.db2.gz JQHRPLQCKSVCPG-QGZVFWFLSA-N 0 3 346.471 2.771 40 0 EFABHN Cc1ccc2c(c1)CN(C(=O)[C@H]1C[C@@H]1C)CC1(CCN(C)CC1)O2 ZINC000012228255 211325690 /nfs/dbraw/zinc/32/56/90/211325690.db2.gz LWECJDOWUPPAGW-RDJZCZTQSA-N 0 3 328.456 2.836 40 0 EFABHN COc1ccc(CN2CC[C@@H](CO)C2)cc1Cc1c(C)noc1C ZINC000012191763 211316013 /nfs/dbraw/zinc/31/60/13/211316013.db2.gz VUYJQZQKBOXBLB-MRXNPFEDSA-N 0 3 330.428 2.705 40 0 EFABHN COc1ccc(CN(C[C@@H]2CCOC2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187172 211314355 /nfs/dbraw/zinc/31/43/55/211314355.db2.gz ODTFRTHVZFTDRK-YJBOKZPZSA-N 0 3 335.444 2.721 40 0 EFABHN C[C@@H]1CN(CC2CCN(c3nnc(C4CC4)s3)CC2)C[C@@H](C)O1 ZINC000091478101 218012077 /nfs/dbraw/zinc/01/20/77/218012077.db2.gz HPCXXIALRHJZDI-CHWSQXEVSA-N 0 3 336.505 2.741 40 0 EFABHN C[C@@H]1CN(CC2CCN(c3nnc(C(F)F)s3)CC2)C[C@@H](C)O1 ZINC000091478559 218012134 /nfs/dbraw/zinc/01/21/34/218012134.db2.gz AXMATYLRYYJTOV-GHMZBOCLSA-N 0 3 346.447 2.801 40 0 EFABHN Cc1ccc(OC2CCN([C@@H](C)CN3CCOCC3)CC2)cc1C ZINC000091509653 218015433 /nfs/dbraw/zinc/01/54/33/218015433.db2.gz LSXTWQKJXHDYCV-SFHVURJKSA-N 0 3 332.488 2.867 40 0 EFABHN Cc1ccc(CN2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000091920465 218089703 /nfs/dbraw/zinc/08/97/03/218089703.db2.gz QSXGVNLGSYSZOR-OKILXGFUSA-N 0 3 336.501 2.904 40 0 EFABHN CCN1CCN([C@@H]2CCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)CC1 ZINC000093132908 218195931 /nfs/dbraw/zinc/19/59/31/218195931.db2.gz XQKXLOPZIRQYAJ-LJQANCHMSA-N 0 3 343.515 2.612 40 0 EFABHN Cc1cc(C)nc(NCc2ccccc2CN2CCC(O)CC2)n1 ZINC000095429657 218372886 /nfs/dbraw/zinc/37/28/86/218372886.db2.gz SIPNVGMVJUMWMM-UHFFFAOYSA-N 0 3 326.444 2.662 40 0 EFABHN Cc1ccc(CNC[C@H]2Cn3nnc(-c4ccsc4)c3CO2)o1 ZINC000096061045 218555085 /nfs/dbraw/zinc/55/50/85/218555085.db2.gz DAIGTNGNKXWZRV-AWEZNQCLSA-N 0 3 330.413 2.597 40 0 EFABHN Cc1ccc2c(c1)nc1n2[C@@H](CNCc2ccncc2F)COC1 ZINC000096112820 218609481 /nfs/dbraw/zinc/60/94/81/218609481.db2.gz DEEHXJSPXKHZAQ-AWEZNQCLSA-N 0 3 326.375 2.740 40 0 biogenic,in-vitro EFABHN O=c1[n-]c(NC2CC[NH+](C3CCCCC3)CC2)nc2c1CCCC2 ZINC000004906112 210319101 /nfs/dbraw/zinc/31/91/01/210319101.db2.gz ZZUWZUDEYWTOSW-UHFFFAOYSA-N 0 3 330.476 2.858 40 0 EFABHN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCCn2ccnc2)cc1 ZINC000097375024 219018099 /nfs/dbraw/zinc/01/80/99/219018099.db2.gz KOOADZUSHYLTKD-QZTJIDSGSA-N 0 3 347.484 2.566 40 0 EFABHN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2NCCn2ccnc2)cc1 ZINC000097375023 219018403 /nfs/dbraw/zinc/01/84/03/219018403.db2.gz KOOADZUSHYLTKD-ROUUACIJSA-N 0 3 347.484 2.566 40 0 EFABHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH]c2ncccc12 ZINC000097378893 219019893 /nfs/dbraw/zinc/01/98/93/219019893.db2.gz PQIPRVZOMOXOTK-BEFAXECRSA-N 0 3 348.450 2.742 40 0 EFABHN CC1=C(Br)CN(CCCN2CCN(C(C)C)CC2)CC1 ZINC000330031858 258003126 /nfs/dbraw/zinc/00/31/26/258003126.db2.gz FCJBEWFRSAMYCY-UHFFFAOYSA-N 0 3 344.341 2.777 40 0 EFABHN CCN1CCN(c2ccc(NC(=S)NC(=O)CC(C)C)cc2)CC1 ZINC000006517661 135674608 /nfs/dbraw/zinc/67/46/08/135674608.db2.gz RCOWJPFGWCVILS-UHFFFAOYSA-N 0 3 348.516 2.688 40 0 EFABHN CCOC[C@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218037860 286181161 /nfs/dbraw/zinc/18/11/61/286181161.db2.gz LJBXAPWNYOTERF-GBESFXJTSA-N 0 3 345.464 2.608 40 0 EFABHN O=C(NC[C@H]1CC=CCC1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000096487009 544558534 /nfs/dbraw/zinc/55/85/34/544558534.db2.gz QRBFSADNDKLRRE-KRWDZBQOSA-N 0 3 342.483 2.977 40 0 EFABHN Cc1cc(Cl)ccc1OCCCN[C@H]1CCCS(=O)(=O)C1 ZINC000097230744 272998784 /nfs/dbraw/zinc/99/87/84/272998784.db2.gz UQHTZLCAWPDXFW-AWEZNQCLSA-N 0 3 331.865 2.584 40 0 EFABHN COCCN1c2ccccc2C2(CCN(Cc3ccoc3)CC2)C1=O ZINC000105524839 274035777 /nfs/dbraw/zinc/03/57/77/274035777.db2.gz SCWCCVCIDWXQJS-UHFFFAOYSA-N 0 3 340.423 2.806 40 0 EFABHN COc1cccc(CNC[C@H]2COCc3nc4ccc(C)cc4n32)n1 ZINC000096112836 274146484 /nfs/dbraw/zinc/14/64/84/274146484.db2.gz MMKYNYWEJYJMOA-HNNXBMFYSA-N 0 3 338.411 2.609 40 0 biogenic,in-vitro EFABHN COc1ccccc1NC(=O)C[C@@H](C)NC[C@@H](c1ccco1)N(C)C ZINC000022787572 274161376 /nfs/dbraw/zinc/16/13/76/274161376.db2.gz WIVRCHJUARYGOA-ZBFHGGJFSA-N 0 3 345.443 2.898 40 0 EFABHN CC1=CCC[C@H](C)[C@@H]1CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000191080033 276179738 /nfs/dbraw/zinc/17/97/38/276179738.db2.gz KRLFEBASHXAORQ-GBESFXJTSA-N 0 3 333.520 2.607 40 0 EFABHN CCN1CCN(CCC(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000076472125 276383873 /nfs/dbraw/zinc/38/38/73/276383873.db2.gz WEMFGYJMXZCRSH-QUCCMNQESA-N 0 3 343.515 2.666 40 0 EFABHN CN1CCC[C@]2(C1)CN(C(=O)c1ccccc1C(F)(F)F)CCO2 ZINC000063527669 277085311 /nfs/dbraw/zinc/08/53/11/277085311.db2.gz SUESVJBFXPQTLJ-INIZCTEOSA-N 0 3 342.361 2.642 40 0 EFABHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2ncccc2OC)cc1 ZINC000253418367 277933425 /nfs/dbraw/zinc/93/34/25/277933425.db2.gz MZZOMSZDCBSXNK-HNNXBMFYSA-N 0 3 344.415 2.523 40 0 EFABHN Cc1ccc(CCC2CCN(CCN3C(=O)CCC3=O)CC2)cc1 ZINC000032765360 278800990 /nfs/dbraw/zinc/80/09/90/278800990.db2.gz UEJBZBFQTKLLDY-UHFFFAOYSA-N 0 3 328.456 2.789 40 0 EFABHN CCS[C@H]1CCCCN(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000096435373 280054814 /nfs/dbraw/zinc/05/48/14/280054814.db2.gz IQKFFNMATVBTDF-AWEZNQCLSA-N 0 3 339.509 2.584 40 0 EFABHN Cc1ccccc1CN1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 ZINC000108535274 281343077 /nfs/dbraw/zinc/34/30/77/281343077.db2.gz WXVHDLVGGNZRIS-SFTDATJTSA-N 0 3 337.467 2.865 40 0 EFABHN C[C@@H]1Cc2cc([C@@H](O)CN3CCCCC3)ccc2N1C(=O)C1CC1 ZINC000012181024 288806381 /nfs/dbraw/zinc/80/63/81/288806381.db2.gz XYHKPTLJDNZHQN-KUHUBIRLSA-N 0 3 328.456 2.894 40 0 EFABHN CN(C)[C@@H]1CCN(C(=O)c2ccc(F)cc2)[C@H]1Cc1cccnc1 ZINC000096200843 289316316 /nfs/dbraw/zinc/31/63/16/289316316.db2.gz IEHIBJQZODGIJE-MSOLQXFVSA-N 0 3 327.403 2.608 40 0 EFABHN C[C@H](C(=O)N1CCC2(CC1)OCC(C)(C)CO2)N1CCCCCC1 ZINC000096436303 298009551 /nfs/dbraw/zinc/00/95/51/298009551.db2.gz DDZCVFSUCMKKLX-MRXNPFEDSA-N 0 3 338.492 2.643 40 0 EFABHN CN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CCOC1 ZINC000106943606 323215239 /nfs/dbraw/zinc/21/52/39/323215239.db2.gz LTVWDWIWSQUQQI-KRWDZBQOSA-N 0 3 349.500 2.531 40 0 EFABHN Cc1ccc(-c2nc(SCCCN3CCN(C)CC3)n[nH]2)cc1 ZINC000130053467 323218278 /nfs/dbraw/zinc/21/82/78/323218278.db2.gz BVDPFZPLLHRPLZ-UHFFFAOYSA-N 0 3 331.489 2.510 40 0 EFABHN CCN(C(=O)NCc1cc(C)no1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184609708 323370177 /nfs/dbraw/zinc/37/01/77/323370177.db2.gz DWGHPHDHCYCWFD-QGZVFWFLSA-N 0 3 342.443 2.789 40 0 EFABHN C[C@@H]1CN(CCCCNC(=O)N(C)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000190776007 323462347 /nfs/dbraw/zinc/46/23/47/323462347.db2.gz WOVYAIWTKCATRS-HUUCEWRRSA-N 0 3 337.439 2.861 40 0 EFABHN COc1ccc([C@@H](N)c2n[nH]c(-c3ccc(F)cc3)n2)cc1OC ZINC000095533783 473222580 /nfs/dbraw/zinc/22/25/80/473222580.db2.gz GULLJVQGPCBNMJ-OAHLLOKOSA-N 0 3 328.347 2.676 40 0 EFABHN COc1cccc(NCCc2nc([C@H](N)c3ccc(C)cc3)n[nH]2)c1 ZINC000095534123 473223706 /nfs/dbraw/zinc/22/37/06/473223706.db2.gz BNNLSMBMWWZDEB-GOSISDBHSA-N 0 3 337.427 2.824 40 0 EFABHN CN1CCN(CCC(=O)Nc2cc(N)ccc2F)Cc2ccccc21 ZINC000081670831 473241721 /nfs/dbraw/zinc/24/17/21/473241721.db2.gz CBOQGWAXYLBAKB-UHFFFAOYSA-N 0 3 342.418 2.689 40 0 EFABHN CC[C@H]1N(Cc2ccc(C)o2)CCC[C@]12CCC(=O)N2CCOC ZINC000096045695 473267957 /nfs/dbraw/zinc/26/79/57/473267957.db2.gz YLJARHDOFMXADX-MJGOQNOKSA-N 0 3 334.460 2.970 40 0 EFABHN CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1ccncc1)CC2 ZINC000096048019 473268107 /nfs/dbraw/zinc/26/81/07/473268107.db2.gz PAXWXNVFJQXJLX-SFHVURJKSA-N 0 3 341.455 2.930 40 0 EFABHN CN(Cc1ccncc1)[C@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096048068 473268188 /nfs/dbraw/zinc/26/81/88/473268188.db2.gz OJFPGAYCGYMRCY-GOSISDBHSA-N 0 3 341.455 2.930 40 0 EFABHN COCCN1C(=O)CC[C@@]12CCCN(Cc1ccc(F)cc1)CC2 ZINC000096047524 473268282 /nfs/dbraw/zinc/26/82/82/473268282.db2.gz LDQJDBITOCWNHG-LJQANCHMSA-N 0 3 334.435 2.819 40 0 EFABHN O=C(Cc1cccnc1)N1CCC[C@@]2(CCN(Cc3ccoc3)C2)C1 ZINC000096047114 473269558 /nfs/dbraw/zinc/26/95/58/473269558.db2.gz BQTBPFDKSGTAJX-FQEVSTJZSA-N 0 3 339.439 2.732 40 0 EFABHN Cc1ccc(CN2CCC3(C[C@@H](CC(=O)N4CCCC4)CO3)CC2)o1 ZINC000096048173 473271024 /nfs/dbraw/zinc/27/10/24/473271024.db2.gz JVDSJSRNWQILQD-QGZVFWFLSA-N 0 3 346.471 2.972 40 0 EFABHN Cc1ccc(CN2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)o1 ZINC000096048347 473271242 /nfs/dbraw/zinc/27/12/42/473271242.db2.gz IVEJELFOAQESEA-MAUKXSAKSA-N 0 3 328.416 2.614 40 0 EFABHN c1coc(CN2CCC3(CC2)CN(Cc2cccnc2)CCO3)c1 ZINC000096048929 473271498 /nfs/dbraw/zinc/27/14/98/473271498.db2.gz AJJYCZSRZFOBNS-UHFFFAOYSA-N 0 3 327.428 2.542 40 0 EFABHN CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(Cc1ccsc1)C2 ZINC000096048596 473271529 /nfs/dbraw/zinc/27/15/29/473271529.db2.gz MTCGWDNPIHAOMY-SJLPKXTDSA-N 0 3 344.484 2.798 40 0 EFABHN Cc1cccc(CN2CC[C@]3(CCCN(Cc4ccco4)C3)C2=O)n1 ZINC000096048786 473272128 /nfs/dbraw/zinc/27/21/28/473272128.db2.gz XRBFRNVMGXOUAI-FQEVSTJZSA-N 0 3 339.439 2.998 40 0 EFABHN Fc1ccc(CN2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096048352 473272252 /nfs/dbraw/zinc/27/22/52/473272252.db2.gz IYOXGKSTFBAMBO-MJGOQNOKSA-N 0 3 342.418 2.851 40 0 EFABHN O=C1C[C@]2(CCN(Cc3cccnc3)C2)CN1c1cccc(F)c1 ZINC000096050731 473273266 /nfs/dbraw/zinc/27/32/66/473273266.db2.gz PGFAWJPIUUZKFQ-IBGZPJMESA-N 0 3 325.387 2.850 40 0 EFABHN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2cccs2)n1 ZINC000096054034 473275891 /nfs/dbraw/zinc/27/58/91/473275891.db2.gz MATFEKDINOZCKM-IRXDYDNUSA-N 0 3 327.453 2.827 40 0 EFABHN Cn1ccc(C(=O)N[C@H]2CCC23CCN(Cc2ccco2)CC3)c1 ZINC000096051685 473276152 /nfs/dbraw/zinc/27/61/52/473276152.db2.gz UIAZVRLCWFCXRB-KRWDZBQOSA-N 0 3 327.428 2.793 40 0 EFABHN Cc1ccc(CN2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC000096055179 473279594 /nfs/dbraw/zinc/27/95/94/473279594.db2.gz UCHVROFCVYEEKD-UYAOXDASSA-N 0 3 341.455 2.706 40 0 EFABHN CN(Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1cnccn1)CC2 ZINC000096051586 473276954 /nfs/dbraw/zinc/27/69/54/473276954.db2.gz YCUOXXRMZPZGMA-QGZVFWFLSA-N 0 3 340.427 2.586 40 0 EFABHN c1cc(CN2CCN3C[C@@H](OCc4ccccn4)C[C@H]3C2)cs1 ZINC000096055121 473277752 /nfs/dbraw/zinc/27/77/52/473277752.db2.gz OUPCXOYGLAYPHJ-ROUUACIJSA-N 0 3 329.469 2.618 40 0 EFABHN Cc1ccc(CN2CCN3C[C@H](OCc4cccc(C)n4)C[C@H]3C2)o1 ZINC000096055084 473278695 /nfs/dbraw/zinc/27/86/95/473278695.db2.gz GJNBJGJWLCNZOD-AZUAARDMSA-N 0 3 341.455 2.767 40 0 EFABHN Cc1cccc(CO[C@@H]2C[C@@H]3CN(Cc4ccsc4)CCN3C2)n1 ZINC000096055074 473278719 /nfs/dbraw/zinc/27/87/19/473278719.db2.gz QZYJRGYUHLKPJL-RTBURBONSA-N 0 3 343.496 2.927 40 0 EFABHN CN(Cc1ccco1)C[C@H]1OC[C@@H]2CCN(Cc3ccoc3)C[C@@H]21 ZINC000096056294 473280453 /nfs/dbraw/zinc/28/04/53/473280453.db2.gz XYDKBINDCMYMLF-YTQUADARSA-N 0 3 330.428 2.842 40 0 EFABHN O=C(NCC1CC1)[C@@H]1CCO[C@@H]2CCN(Cc3ccsc3)C[C@H]21 ZINC000096058256 473283125 /nfs/dbraw/zinc/28/31/25/473283125.db2.gz KZSWZDJEYBFUBB-IXDOHACOSA-N 0 3 334.485 2.501 40 0 EFABHN c1csc(CNC[C@H]2OCCc3cn(Cc4ccccn4)nc32)c1 ZINC000096059783 473284169 /nfs/dbraw/zinc/28/41/69/473284169.db2.gz PJXMZGOWVAVKKY-QGZVFWFLSA-N 0 3 340.452 2.792 40 0 EFABHN CCOC[C@@H]1CN(CC2CCOCC2)Cc2cn(CC3CC3)nc21 ZINC000096059978 473284217 /nfs/dbraw/zinc/28/42/17/473284217.db2.gz QSCGKVRVWDNXTM-SFHVURJKSA-N 0 3 333.476 2.655 40 0 EFABHN Cc1ccc(CN2CCC3(C[C@H](c4cccnc4)C(=O)N3)CC2)o1 ZINC000096061376 473285762 /nfs/dbraw/zinc/28/57/62/473285762.db2.gz CXTRFFNPXNPWJU-QGZVFWFLSA-N 0 3 325.412 2.621 40 0 EFABHN C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2N(C)Cc1cccnc1 ZINC000096063718 473288206 /nfs/dbraw/zinc/28/82/06/473288206.db2.gz PSMGYCXHCXOEDX-IQRFUGTFSA-N 0 3 327.472 2.797 40 0 EFABHN COc1ccc(CN2CC[C@@]3(C2)CCCN(C(=O)N(C)C)C3)cc1 ZINC000096071592 473289601 /nfs/dbraw/zinc/28/96/01/473289601.db2.gz IKPKOMHGDZADFN-LJQANCHMSA-N 0 3 331.460 2.665 40 0 EFABHN c1ccc(CN2CCC3(C[C@H](Oc4ccccn4)CO3)CC2)nc1 ZINC000096106960 473298269 /nfs/dbraw/zinc/29/82/69/473298269.db2.gz JQQJGLJHHICXCQ-KRWDZBQOSA-N 0 3 325.412 2.679 40 0 EFABHN CO[C@@H]1CCN(Cc2ccc(C)o2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096108575 473301368 /nfs/dbraw/zinc/30/13/68/473301368.db2.gz TXGUSPBJKYSCER-XUVXKRRUSA-N 0 3 341.455 2.704 40 0 EFABHN CN(C)C(=O)COC[C@@]12CCC[C@@H]1CN(Cc1ccc(F)cc1)C2 ZINC000096109165 473301402 /nfs/dbraw/zinc/30/14/02/473301402.db2.gz UOKQQYTZZOMQDV-APWZRJJASA-N 0 3 334.435 2.533 40 0 EFABHN COc1ccc(CN2C[C@@H]3COC[C@]3(COc3cccnc3)C2)cc1 ZINC000096108822 473302471 /nfs/dbraw/zinc/30/24/71/473302471.db2.gz IHULOPOVZIGPRE-XLIONFOSSA-N 0 3 340.423 2.618 40 0 EFABHN COc1ncccc1CNC[C@H]1COCc2nc3cc(C)ccc3n21 ZINC000096112821 473305137 /nfs/dbraw/zinc/30/51/37/473305137.db2.gz KINMROOETBNGAG-HNNXBMFYSA-N 0 3 338.411 2.609 40 0 biogenic,in-vitro EFABHN CN(C)CCNC(=O)c1ccc2ccc(N(C)c3ccccc3)n2c1 ZINC000096146174 473312976 /nfs/dbraw/zinc/31/29/76/473312976.db2.gz AFQBDFRQCIJPTN-UHFFFAOYSA-N 0 3 336.439 2.999 40 0 EFABHN CCN(CC)c1ccc2ccc(C(=O)N3CC[C@H](N(C)C)C3)cn21 ZINC000096146198 473313440 /nfs/dbraw/zinc/31/34/40/473313440.db2.gz LIRMIJUIAXEMBU-KRWDZBQOSA-N 0 3 328.460 2.562 40 0 EFABHN O=C(c1cnccn1)N1CCC[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096158185 473318074 /nfs/dbraw/zinc/31/80/74/473318074.db2.gz CHMNAZQDJSLTCR-SFHVURJKSA-N 0 3 342.468 2.666 40 0 EFABHN O=C(c1cccnc1)N1CCC[C@]2(CCN(Cc3cccnc3)C2)C1 ZINC000096158146 473318632 /nfs/dbraw/zinc/31/86/32/473318632.db2.gz YVRDXDVJPXFRBG-HXUWFJFHSA-N 0 3 336.439 2.605 40 0 EFABHN COc1ncccc1CN1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096159541 473320477 /nfs/dbraw/zinc/32/04/77/473320477.db2.gz NKRCUQZKMWFTOO-GOSISDBHSA-N 0 3 343.452 2.781 40 0 EFABHN Cc1ccc(CN2CC[C@H]3[C@@H]2CCC(=O)N3CC2CCOCC2)cc1 ZINC000096186331 473329557 /nfs/dbraw/zinc/32/95/57/473329557.db2.gz GYRILKJOYVOLOZ-PMACEKPBSA-N 0 3 342.483 2.987 40 0 EFABHN O=c1ccc2c(n1Cc1ccncc1)CC[C@@H](NCc1ccco1)C2 ZINC000096196608 473332781 /nfs/dbraw/zinc/33/27/81/473332781.db2.gz SVUNENMUBZABJR-QGZVFWFLSA-N 0 3 335.407 2.532 40 0 EFABHN c1cc(CCN2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccn1 ZINC000124980975 473335957 /nfs/dbraw/zinc/33/59/57/473335957.db2.gz CUUVZYSXIXRRJS-QGZVFWFLSA-N 0 3 325.460 2.822 40 0 EFABHN Cc1nc(CN2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)cs1 ZINC000096201817 473337257 /nfs/dbraw/zinc/33/72/57/473337257.db2.gz ZLDFHMOMCCYWKE-FUHWJXTLSA-N 0 3 327.453 2.557 40 0 EFABHN Cc1nc(CN2CCOC[C@@]3(CCN(Cc4ccco4)C3)C2)cs1 ZINC000096202128 473337634 /nfs/dbraw/zinc/33/76/34/473337634.db2.gz PHFPNHORYZXDJC-GOSISDBHSA-N 0 3 347.484 2.769 40 0 EFABHN c1csc(CN2CCOC[C@@]3(CCN(Cc4cccnc4)C3)C2)c1 ZINC000096202097 473338678 /nfs/dbraw/zinc/33/86/78/473338678.db2.gz BVFSPEOCGOHPNL-LJQANCHMSA-N 0 3 343.496 2.868 40 0 EFABHN CN(C)[C@@H]1CCN(C(=O)c2cccc(F)c2)[C@H]1Cc1cccnc1 ZINC000096200844 473339418 /nfs/dbraw/zinc/33/94/18/473339418.db2.gz SQSKKXQNOVEMQY-MSOLQXFVSA-N 0 3 327.403 2.608 40 0 EFABHN COC[C@@H]1C(=O)N(CC2CC2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000096206420 473340729 /nfs/dbraw/zinc/34/07/29/473340729.db2.gz NBHRHWFDIVTDCX-GOSISDBHSA-N 0 3 346.471 2.685 40 0 EFABHN CN(C)C(=O)C[C@H]1OC[C@H]2CN(Cc3ccccc3Cl)CC[C@@H]12 ZINC000096207826 473341829 /nfs/dbraw/zinc/34/18/29/473341829.db2.gz YBQCMHLZFXGKSL-BFYDXBDKSA-N 0 3 336.863 2.655 40 0 EFABHN O=C(COC[C@@]12CCC[C@@H]1CN(Cc1ccco1)C2)N1CCCC1 ZINC000096209049 473344084 /nfs/dbraw/zinc/34/40/84/473344084.db2.gz GOVNBVKDWAAIGS-APWZRJJASA-N 0 3 332.444 2.521 40 0 EFABHN Cc1cccc(COC[C@]23COC[C@H]2CN(Cc2ccoc2)C3)n1 ZINC000096209010 473345689 /nfs/dbraw/zinc/34/56/89/473345689.db2.gz SVNAWZBZHKHVIL-MJGOQNOKSA-N 0 3 328.412 2.648 40 0 EFABHN O=C(CC1CC1)N[C@H]1COCCC12CCN(Cc1ccoc1)CC2 ZINC000096219499 473351252 /nfs/dbraw/zinc/35/12/52/473351252.db2.gz UXCPTYLNNVQNHY-KRWDZBQOSA-N 0 3 332.444 2.567 40 0 EFABHN O=C(N[C@H]1CCO[C@]2(CCN(Cc3ccsc3)C2)C1)c1ccco1 ZINC000096218399 473351561 /nfs/dbraw/zinc/35/15/61/473351561.db2.gz PIACLUGHOJPHJY-MAUKXSAKSA-N 0 3 346.452 2.895 40 0 EFABHN Cc1ccc(CN2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)s1 ZINC000096219309 473352614 /nfs/dbraw/zinc/35/26/14/473352614.db2.gz PZKZPORFVLMSDI-YOEHRIQHSA-N 0 3 330.457 2.692 40 0 EFABHN CN(Cc1ccccn1)[C@H]1CO[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096219877 473354325 /nfs/dbraw/zinc/35/43/25/473354325.db2.gz SZDRMCRURFKQDV-IEBWSBKVSA-N 0 3 327.428 2.540 40 0 EFABHN O=C(c1ccccc1F)N1CCC[C@]2(C1)COCCN(CC1CC1)C2 ZINC000096228814 473358277 /nfs/dbraw/zinc/35/82/77/473358277.db2.gz MGPTZNOTPSDNNG-FQEVSTJZSA-N 0 3 346.446 2.790 40 0 EFABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)Cc3cccs3)C2)C1 ZINC000096228752 473358697 /nfs/dbraw/zinc/35/86/97/473358697.db2.gz YUDPOOJHOYTQKR-GOSISDBHSA-N 0 3 336.501 2.640 40 0 EFABHN CCN1CCC2(CC1)C[C@H](NCc1cnn(C)c1)c1ccccc1O2 ZINC000096242699 473363115 /nfs/dbraw/zinc/36/31/15/473363115.db2.gz XOJHPVVWCYTYGR-SFHVURJKSA-N 0 3 340.471 2.888 40 0 EFABHN CCN1CCOC[C@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096228862 473359303 /nfs/dbraw/zinc/35/93/03/473359303.db2.gz DVBFFPDRUBGLLJ-HXUWFJFHSA-N 0 3 341.455 2.742 40 0 EFABHN O=C(c1ccccc1F)N1CCC[C@@]2(C1)COCCN(CC1CC1)C2 ZINC000096228815 473359339 /nfs/dbraw/zinc/35/93/39/473359339.db2.gz MGPTZNOTPSDNNG-HXUWFJFHSA-N 0 3 346.446 2.790 40 0 EFABHN O=C(c1ccsc1)N1CCC[C@]2(C1)COCCN(CC1CC1)C2 ZINC000096228812 473359466 /nfs/dbraw/zinc/35/94/66/473359466.db2.gz WOMYHRHNPXDNNX-SFHVURJKSA-N 0 3 334.485 2.713 40 0 EFABHN Cc1ccc(CN2CCc3ncnc(-c4cnn(C)c4)c3CC2)s1 ZINC000096255193 473366128 /nfs/dbraw/zinc/36/61/28/473366128.db2.gz XWFFMEUXPPFPCE-UHFFFAOYSA-N 0 3 339.468 2.848 40 0 EFABHN CCN1CCc2cc(C(=O)N3CCCC3)c(NCC3CC3)nc2CC1 ZINC000096260616 473368000 /nfs/dbraw/zinc/36/80/00/473368000.db2.gz XLCCZGXPXNTSOG-UHFFFAOYSA-N 0 3 342.487 2.560 40 0 EFABHN CN(C)CCNC(=O)c1ccc2onc(-c3coc(C4CC4)n3)c2c1 ZINC000096266477 473368828 /nfs/dbraw/zinc/36/88/28/473368828.db2.gz UEAWBWIJXPVZHX-UHFFFAOYSA-N 0 3 340.383 2.652 40 0 EFABHN Cc1cccc([C@H](C)NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1C ZINC000096406854 473384685 /nfs/dbraw/zinc/38/46/85/473384685.db2.gz UDFMVZKKXAOYAG-GVDBMIGSSA-N 0 3 331.460 2.527 40 0 EFABHN CN1CCN(c2c3ccccc3oc(=O)c2CN2CCCCC2)CC1 ZINC000000272765 471342833 /nfs/dbraw/zinc/34/28/33/471342833.db2.gz QRRLMHKMKWYUKM-UHFFFAOYSA-N 0 3 341.455 2.531 40 0 EFABHN CCCCN(CCCC)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000001588712 471393464 /nfs/dbraw/zinc/39/34/64/471393464.db2.gz IEYZFSDKAODQAR-UHFFFAOYSA-N 0 3 338.473 2.733 40 0 EFABHN CCOC(=O)N1CCN(c2cc(C)nc3cc(OC)ccc32)CC1 ZINC000001612263 471394722 /nfs/dbraw/zinc/39/47/22/471394722.db2.gz GXSLIHYNXGGQQA-UHFFFAOYSA-N 0 3 329.400 2.830 40 0 EFABHN CN1CCC=C(COC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 ZINC000001640545 471395311 /nfs/dbraw/zinc/39/53/11/471395311.db2.gz MHZWAVGKTGFFPJ-FQEVSTJZSA-N 0 3 329.440 2.870 40 0 EFABHN CCN(CC)CCOC(=O)C[C@@](C)(O)[C@H]1CCO[C@@](C)(CC)C1 ZINC000002090896 471401332 /nfs/dbraw/zinc/40/13/32/471401332.db2.gz NJVWNHTWZNLWLA-RYQLBKOJSA-N 0 3 329.481 2.608 40 0 EFABHN C[C@@H](NC[C@@H](O)COCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000002686937 471416124 /nfs/dbraw/zinc/41/61/24/471416124.db2.gz KIHNKUWMHHYLRO-RHSMWYFYSA-N 0 3 329.396 2.644 40 0 EFABHN C[C@H](NC[C@@H](O)COCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000002686935 471416207 /nfs/dbraw/zinc/41/62/07/471416207.db2.gz KIHNKUWMHHYLRO-WMLDXEAASA-N 0 3 329.396 2.644 40 0 EFABHN C[C@H](NC[C@H](O)COCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000002686931 471416478 /nfs/dbraw/zinc/41/64/78/471416478.db2.gz KIHNKUWMHHYLRO-YOEHRIQHSA-N 0 3 329.396 2.644 40 0 EFABHN CCN1c2ccccc2C(=O)N(CCN(C)C)c2ccccc2C1=O ZINC000005456148 471506641 /nfs/dbraw/zinc/50/66/41/471506641.db2.gz LCGCVCKLSQIKIQ-UHFFFAOYSA-N 0 3 337.423 2.875 40 0 EFABHN CCOc1c(Br)cc(CN[C@@H](CC)CO)cc1OC ZINC000008326263 471681578 /nfs/dbraw/zinc/68/15/78/471681578.db2.gz YWUIEYOVCLUJPV-NSHDSACASA-N 0 3 332.238 2.717 40 0 EFABHN CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN(C)c1ccccc1 ZINC000008635707 471697589 /nfs/dbraw/zinc/69/75/89/471697589.db2.gz UDUJCKKEISXTOL-JENIJYKNSA-N 0 3 344.503 2.541 40 0 biogenic,in-vitro EFABHN Cc1ccccc1CS(=O)(=O)NCCCN1C[C@H](C)C[C@H](C)C1 ZINC000010544100 471738256 /nfs/dbraw/zinc/73/82/56/471738256.db2.gz DBYGZYSSUAEMKE-IYBDPMFKSA-N 0 3 338.517 2.782 40 0 EFABHN O=C(C1CC1)N1CCCc2cc([C@H](O)CN3CCCCC3)ccc21 ZINC000012291509 471770104 /nfs/dbraw/zinc/77/01/04/471770104.db2.gz WYBAIWKIBFDCCN-LJQANCHMSA-N 0 3 328.456 2.895 40 0 EFABHN Cc1ccc(CS(=O)(=O)NCCCN2C[C@H](C)C[C@H](C)C2)cc1 ZINC000013612317 471835006 /nfs/dbraw/zinc/83/50/06/471835006.db2.gz GAOBDYGWLYBQRF-CALCHBBNSA-N 0 3 338.517 2.782 40 0 EFABHN CN(Cc1ccccc1N1CCOCC1)C[C@@H](O)c1ccccc1 ZINC000016425293 471936693 /nfs/dbraw/zinc/93/66/93/471936693.db2.gz LWHZDYUDTGXGAV-HXUWFJFHSA-N 0 3 326.440 2.689 40 0 EFABHN CC(=O)Nc1ccc(N2C(=O)C[C@H](N(C)C3CCCCC3)C2=O)cc1 ZINC000019022516 471976580 /nfs/dbraw/zinc/97/65/80/471976580.db2.gz XUQLWSMKJRNVJF-KRWDZBQOSA-N 0 3 343.427 2.541 40 0 EFABHN Cc1ccc(C)c([C@H](O)CN2CCO[C@@H](CN3CCCCC3)C2)c1 ZINC000019132153 471977572 /nfs/dbraw/zinc/97/75/72/471977572.db2.gz DEMMFZOWNVDXFD-AZUAARDMSA-N 0 3 332.488 2.524 40 0 EFABHN Cn1cc(CN2CCC[C@H](c3ccc(-c4cnn(C)c4)cn3)C2)cn1 ZINC000019688575 471982782 /nfs/dbraw/zinc/98/27/82/471982782.db2.gz SOKJNMKGGXHZOF-KRWDZBQOSA-N 0 3 336.443 2.595 40 0 EFABHN CNc1cc(CN(C)Cc2cccc(C)c2)nc([C@H]2CCCN2)n1 ZINC000019760085 471984530 /nfs/dbraw/zinc/98/45/30/471984530.db2.gz SZUNRHTYDBAZLR-QGZVFWFLSA-N 0 3 325.460 2.883 40 0 EFABHN CNc1cc(CN(C)CCc2ccccc2)nc([C@@H]2CCCN2)n1 ZINC000019760064 471984785 /nfs/dbraw/zinc/98/47/85/471984785.db2.gz GTUUXFNWSFPCCR-KRWDZBQOSA-N 0 3 325.460 2.617 40 0 EFABHN CNc1cc(CN(C)CCc2ccccc2)nc([C@H]2CCCN2)n1 ZINC000019760068 471985038 /nfs/dbraw/zinc/98/50/38/471985038.db2.gz GTUUXFNWSFPCCR-QGZVFWFLSA-N 0 3 325.460 2.617 40 0 EFABHN CCC[C@H](c1nnnn1C(C)(C)C)N1CCN(C2CCCC2)CC1 ZINC000020139157 471987234 /nfs/dbraw/zinc/98/72/34/471987234.db2.gz FSUIZSDCYKZCRD-MRXNPFEDSA-N 0 3 334.512 2.830 40 0 EFABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CN)c2ccc(Cl)cc2)C1 ZINC000035622928 471996332 /nfs/dbraw/zinc/99/63/32/471996332.db2.gz PVHYSIRBQBWLRV-GJZGRUSLSA-N 0 3 339.867 2.939 40 0 EFABHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000037171432 472010719 /nfs/dbraw/zinc/01/07/19/472010719.db2.gz OXPZFVCBKUMFQO-ACJLOTCBSA-N 0 3 339.395 2.849 40 0 EFABHN Cc1noc2nc(-c3ccco3)cc(C(=O)NC3CCN(C)CC3)c12 ZINC000023449550 472033376 /nfs/dbraw/zinc/03/33/76/472033376.db2.gz OWGKTKOONGOFMI-UHFFFAOYSA-N 0 3 340.383 2.615 40 0 EFABHN Cc1cc(F)ccc1S(=O)(=O)NCCCN1CCCCCC1 ZINC000026818126 472150731 /nfs/dbraw/zinc/15/07/31/472150731.db2.gz VDTCAGBKGFLPMT-UHFFFAOYSA-N 0 3 328.453 2.679 40 0 EFABHN O=S(=O)([N-]Cc1cccc(C[NH+]2CCCC2)c1)c1cccs1 ZINC000026842995 472151816 /nfs/dbraw/zinc/15/18/16/472151816.db2.gz GMJJGSYWAHTASV-UHFFFAOYSA-N 0 3 336.482 2.822 40 0 EFABHN C[C@@H]1CN(CCCCNC(=O)[C@@H]2CSc3ccccc32)C[C@@H](C)O1 ZINC000085456845 472249532 /nfs/dbraw/zinc/24/95/32/472249532.db2.gz CQYLRDKBAXXDPX-BFYDXBDKSA-N 0 3 348.512 2.882 40 0 EFABHN CN(C)C[C@H]1CSCCCN1C(=O)c1ccc2ncsc2c1 ZINC000085473130 472253048 /nfs/dbraw/zinc/25/30/48/472253048.db2.gz JQBZMIGRCXTLDD-ZDUSSCGKSA-N 0 3 335.498 2.806 40 0 EFABHN Cc1cnn(CCC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000076389557 472337516 /nfs/dbraw/zinc/33/75/16/472337516.db2.gz XQBBRJADVZLQIK-GOSISDBHSA-N 0 3 340.471 2.705 40 0 EFABHN CCc1ccc([C@@H](CNC(=O)[C@H]2Cc3ccccc3O2)N(C)C)cc1 ZINC000032733733 472461754 /nfs/dbraw/zinc/46/17/54/472461754.db2.gz KBEDORKVUMNQLZ-UYAOXDASSA-N 0 3 338.451 2.972 40 0 EFABHN Cc1nccn1-c1ccc([C@H](C)NCC(C)(C)S(C)(=O)=O)cc1 ZINC000097228502 472483579 /nfs/dbraw/zinc/48/35/79/472483579.db2.gz WWFNXKLAUUMVQA-ZDUSSCGKSA-N 0 3 335.473 2.655 40 0 EFABHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCCN(c2cc(C)ccc2F)C1 ZINC000097230722 472483981 /nfs/dbraw/zinc/48/39/81/472483981.db2.gz VACSYAVKZMDUEF-LSDHHAIUSA-N 0 3 342.480 2.516 40 0 EFABHN Cc1nscc1C(=O)N(C)C1CCN(CCc2ccncc2)CC1 ZINC000097237506 472485797 /nfs/dbraw/zinc/48/57/97/472485797.db2.gz ZSBGVBWXOGAICU-UHFFFAOYSA-N 0 3 344.484 2.626 40 0 EFABHN CN(C1CCN(CCCc2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000077271134 472490569 /nfs/dbraw/zinc/49/05/69/472490569.db2.gz GIHTXPUYTKHDJW-UHFFFAOYSA-N 0 3 344.908 2.628 40 0 EFABHN Cc1cccn2cc(CNC3CCN(Cc4ccncc4)CC3)nc12 ZINC000090045271 472584789 /nfs/dbraw/zinc/58/47/89/472584789.db2.gz FVMYTGOVZMEOEK-UHFFFAOYSA-N 0 3 335.455 2.792 40 0 EFABHN C[C@@H]1CCCN(CCNC(=O)c2cccc(Br)c2)C1 ZINC000046877536 472616274 /nfs/dbraw/zinc/61/62/74/472616274.db2.gz ZQSNOACYPQTVAB-GFCCVEGCSA-N 0 3 325.250 2.911 40 0 EFABHN COc1cccc2c1CC[C@@H]2N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000090592546 472640972 /nfs/dbraw/zinc/64/09/72/472640972.db2.gz WJOLRJIIOVTNDJ-KBPBESRZSA-N 0 3 342.361 2.825 40 0 EFABHN Cn1ncc2c1CCC[C@H]2NCCOc1ncccc1C(F)(F)F ZINC000090605773 472641673 /nfs/dbraw/zinc/64/16/73/472641673.db2.gz LTSWMJONSOOGNZ-CYBMUJFWSA-N 0 3 340.349 2.880 40 0 EFABHN CN(C)C[C@@H]1CSCCCN1C(=O)CSc1ccc(F)cc1 ZINC000090700096 472653338 /nfs/dbraw/zinc/65/33/38/472653338.db2.gz FUPJTLPHIHTGPU-CQSZACIVSA-N 0 3 342.505 2.814 40 0 EFABHN CCc1nccn1-c1cncc([C@H]2CCCN2C2CCOCC2)n1 ZINC000072355621 472662544 /nfs/dbraw/zinc/66/25/44/472662544.db2.gz VBBVEEKXZQIWBY-MRXNPFEDSA-N 0 3 327.432 2.541 40 0 EFABHN Cc1nn2c(nc3c(c2N2CCNCC2)CCC3)c1-c1ccccc1 ZINC000072341731 472662903 /nfs/dbraw/zinc/66/29/03/472662903.db2.gz QKTWBONEIIFARP-UHFFFAOYSA-N 0 3 333.439 2.603 40 0 EFABHN Cc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccccc4)C3=O)c2c1 ZINC000105331213 472746871 /nfs/dbraw/zinc/74/68/71/472746871.db2.gz GNVDQIRPMRGVLH-IBGZPJMESA-N 0 3 347.418 2.941 40 0 EFABHN C[C@@H](NCCc1nc(-c2ccco2)n[nH]1)c1nc2ccccc2n1C ZINC000091374233 472761660 /nfs/dbraw/zinc/76/16/60/472761660.db2.gz JXMHWDIVBCNWOY-GFCCVEGCSA-N 0 3 336.399 2.845 40 0 EFABHN CCN1CCN(CCC(=O)NC2(c3ccccc3)CCCC2)CC1 ZINC000073672627 472850042 /nfs/dbraw/zinc/85/00/42/472850042.db2.gz CRVRSCURUSQMLI-UHFFFAOYSA-N 0 3 329.488 2.600 40 0 EFABHN O=C(c1cc(C2CC2)on1)N1CCCSC[C@H]1CN1CCCCC1 ZINC000079669233 472905119 /nfs/dbraw/zinc/90/51/19/472905119.db2.gz DFUCALXDJVOTLY-OAHLLOKOSA-N 0 3 349.500 2.986 40 0 EFABHN Cc1ccc(CN2CC[C@]3(C[C@@H](Nc4ncccc4F)CO3)C2)o1 ZINC000107728559 472978790 /nfs/dbraw/zinc/97/87/90/472978790.db2.gz CEUJYYKUQVHSDF-KDOFPFPSSA-N 0 3 331.391 2.968 40 0 EFABHN O=C(C[C@H]1[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]12)NCc1ccco1 ZINC000107745963 472980084 /nfs/dbraw/zinc/98/00/84/472980084.db2.gz DIIFMJYZGOWQQP-BCDXTJNWSA-N 0 3 328.387 2.803 40 0 EFABHN Cc1cccnc1CN1CC[C@@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 ZINC000108526624 473035383 /nfs/dbraw/zinc/03/53/83/473035383.db2.gz YKCLXSDABQWLJA-XLIONFOSSA-N 0 3 343.471 2.936 40 0 EFABHN Cc1cccc(CN2CC[C@@]3(CCC[C@H]3C(=O)N3CCCCO3)C2)n1 ZINC000108530119 473035574 /nfs/dbraw/zinc/03/55/74/473035574.db2.gz INIVVPBLGMPUPM-ICSRJNTNSA-N 0 3 343.471 2.936 40 0 EFABHN c1coc(CN2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)c1 ZINC000108527531 473035629 /nfs/dbraw/zinc/03/56/29/473035629.db2.gz ANRUMQLGRPMGTB-OAHLLOKOSA-N 0 3 328.416 2.695 40 0 EFABHN COCCN1CC2(CCC1=O)CCN(Cc1cccc(F)c1C)CC2 ZINC000108532669 473035823 /nfs/dbraw/zinc/03/58/23/473035823.db2.gz BRFJXSYHZYTJPG-UHFFFAOYSA-N 0 3 348.462 2.985 40 0 EFABHN O=C([C@H]1CCC[C@]12CCN(Cc1ccccn1)C2)N1CCCCO1 ZINC000108529853 473036183 /nfs/dbraw/zinc/03/61/83/473036183.db2.gz HDSBRIQVBDVMOV-IEBWSBKVSA-N 0 3 329.444 2.628 40 0 EFABHN CS(=O)(=O)NC1CC2(C1)CCN(Cc1ccccc1Cl)CC2 ZINC000108535233 473037806 /nfs/dbraw/zinc/03/78/06/473037806.db2.gz KZMCUPHAXPKYLC-UHFFFAOYSA-N 0 3 342.892 2.634 40 0 EFABHN COC(=O)c1cccc(NC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000109036769 473075741 /nfs/dbraw/zinc/07/57/41/473075741.db2.gz ORKKBJFDLPYQPL-UONOGXRCSA-N 0 3 333.432 2.715 40 0 EFABHN CCOc1cc(/C=C/C(=O)NCCN2CCCCC2)ccc1OC ZINC000052410862 473104415 /nfs/dbraw/zinc/10/44/15/473104415.db2.gz BXDBGWMPRNETGG-CSKARUKUSA-N 0 3 332.444 2.709 40 0 EFABHN C[C@H](CCc1ccc(O)cc1)NCC(=O)N1CCc2sccc2C1 ZINC000136411680 473157106 /nfs/dbraw/zinc/15/71/06/473157106.db2.gz PLMPURYYIXPODW-CQSZACIVSA-N 0 3 344.480 2.949 40 0 EFABHN Cc1nnc2ccc(NC[C@H]3CCCN(C)[C@H]3c3ccccc3)nn12 ZINC000110590834 473164101 /nfs/dbraw/zinc/16/41/01/473164101.db2.gz AHRGWWBWFOIISE-APWZRJJASA-N 0 3 336.443 2.928 40 0 EFABHN CN1CCC[C@H](CNC(=O)Nc2nncs2)[C@H]1c1cccs1 ZINC000110633354 473167633 /nfs/dbraw/zinc/16/76/33/473167633.db2.gz NJAUXFJJLLIZJE-PWSUYJOCSA-N 0 3 337.474 2.804 40 0 EFABHN C[C@H]1C[C@H](NCc2nnc3ccccn32)CN(Cc2ccccc2)C1 ZINC000136892955 473183299 /nfs/dbraw/zinc/18/32/99/473183299.db2.gz AEEXITJTXLTQPL-WMZOPIPTSA-N 0 3 335.455 2.730 40 0 EFABHN O=C(Nc1ccc(CCN2CCC(O)CC2)cc1)[C@H]1CC=CCC1 ZINC000075416133 473185376 /nfs/dbraw/zinc/18/53/76/473185376.db2.gz MACYAWQLMPPZQD-KRWDZBQOSA-N 0 3 328.456 2.981 40 0 EFABHN C[C@@H]1C[C@H](N(C)C(=O)COCC2CC2)CCN1Cc1ccccc1 ZINC000096413963 473393042 /nfs/dbraw/zinc/39/30/42/473393042.db2.gz GSJZLFRBJYMDHX-VQIMIIECSA-N 0 3 330.472 2.925 40 0 EFABHN CC(C)N1CCCN(C(=O)c2cccc(OCC(F)(F)F)n2)CC1 ZINC000096416988 473396231 /nfs/dbraw/zinc/39/62/31/473396231.db2.gz XAPVUQKSODKFHG-UHFFFAOYSA-N 0 3 345.365 2.579 40 0 EFABHN CN(C)C[C@H]1CCCCN1C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000096416996 473396586 /nfs/dbraw/zinc/39/65/86/473396586.db2.gz MFRLOGNTKLGLSE-GFCCVEGCSA-N 0 3 345.365 2.579 40 0 EFABHN CC[C@@]1(C)CN(C(=O)NCC2CCN(c3ccncc3)CC2)CCO1 ZINC000190799983 473397748 /nfs/dbraw/zinc/39/77/48/473397748.db2.gz XIRMEAJBNBLRKH-IBGZPJMESA-N 0 3 346.475 2.509 40 0 EFABHN CN(C)Cc1cccc(C(=O)NCc2cc(F)cc3c2OCOC3)c1 ZINC000096421698 473400771 /nfs/dbraw/zinc/40/07/71/473400771.db2.gz FFNCDQPQZLPWQI-UHFFFAOYSA-N 0 3 344.386 2.684 40 0 EFABHN O=S(=O)(/C=C/c1ccccc1Cl)NC[C@H]1CCN(C2CC2)C1 ZINC000096427701 473407323 /nfs/dbraw/zinc/40/73/23/473407323.db2.gz NATFHJZQAOHGAK-AORWBKJGSA-N 0 3 340.876 2.714 40 0 EFABHN CN1CCC[C@H](CNC(=O)Nc2nncs2)[C@@H]1c1cccs1 ZINC000096433595 473412851 /nfs/dbraw/zinc/41/28/51/473412851.db2.gz NJAUXFJJLLIZJE-ZYHUDNBSSA-N 0 3 337.474 2.804 40 0 EFABHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000096435177 473414036 /nfs/dbraw/zinc/41/40/36/473414036.db2.gz DWKRZNHLVWBGMK-OAHLLOKOSA-N 0 3 327.432 2.678 40 0 EFABHN CCN(CCNC(=O)Nc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000096435224 473414157 /nfs/dbraw/zinc/41/41/57/473414157.db2.gz FNFJTZONORHKFJ-UHFFFAOYSA-N 0 3 348.516 2.846 40 0 EFABHN CN(C)CCOc1ccccc1CNC(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000096439577 473417710 /nfs/dbraw/zinc/41/77/10/473417710.db2.gz BPDRLEZDOSMEBC-HDICACEKSA-N 0 3 343.471 2.735 40 0 EFABHN CCN1CCN(CCC(=O)N[C@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000096441000 473418965 /nfs/dbraw/zinc/41/89/65/473418965.db2.gz JKPIHUJFGLHJNI-MRXNPFEDSA-N 0 3 335.467 2.647 40 0 EFABHN CCN1CCN(CCC(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000096440797 473418983 /nfs/dbraw/zinc/41/89/83/473418983.db2.gz FOSYGQLBEKXMCV-MOPGFXCFSA-N 0 3 347.478 2.606 40 0 EFABHN COc1ccc(CN2CCC[C@H](C(=O)NCC(F)(F)F)C2)cc1F ZINC000096441625 473420385 /nfs/dbraw/zinc/42/03/85/473420385.db2.gz PIZODYGCOLNQSV-LBPRGKRZSA-N 0 3 348.340 2.725 40 0 EFABHN CCS[C@H]1CCCCN(C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000096447213 473424809 /nfs/dbraw/zinc/42/48/09/473424809.db2.gz TXQPBMZOMUXCSG-HNNXBMFYSA-N 0 3 339.509 2.584 40 0 EFABHN NC(=O)N1CCCN(CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000096452795 473428979 /nfs/dbraw/zinc/42/89/79/473428979.db2.gz PYCXQUZIRZYROT-UHFFFAOYSA-N 0 3 329.366 2.724 40 0 EFABHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccnc(F)c1 ZINC000096454426 473429454 /nfs/dbraw/zinc/42/94/54/473429454.db2.gz YCUIMVLIRQESNB-YOEHRIQHSA-N 0 3 327.403 2.861 40 0 EFABHN O=C(C/C=C/c1cccc(F)c1)N1CCCN(C2CCOCC2)CC1 ZINC000096454365 473429787 /nfs/dbraw/zinc/42/97/87/473429787.db2.gz WXMVKUWIWULJJU-GORDUTHDSA-N 0 3 346.446 2.942 40 0 EFABHN CSC[C@H](C)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000096456021 473432225 /nfs/dbraw/zinc/43/22/25/473432225.db2.gz PKCLNZISOXPMJR-JYJNAYRXSA-N 0 3 342.549 2.723 40 0 EFABHN C[C@@H](NC[C@H]1Cc2ccccc2O1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096476512 473440038 /nfs/dbraw/zinc/44/00/38/473440038.db2.gz PMHZTJWRBTWSNF-IUODEOHRSA-N 0 3 349.427 2.884 40 0 EFABHN C[C@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc2c(c1)OCO2 ZINC000096479367 473440875 /nfs/dbraw/zinc/44/08/75/473440875.db2.gz LCBHFTPLFRMVNO-XJKSGUPXSA-N 0 3 330.428 2.857 40 0 EFABHN NC(=O)[C@@H]1CCC[C@@H](NCc2cc(F)ccc2Br)C1 ZINC000096485571 473444239 /nfs/dbraw/zinc/44/42/39/473444239.db2.gz SYAVMTSBIDGSMN-BXKDBHETSA-N 0 3 329.213 2.722 40 0 EFABHN CS(=O)(=O)[C@@H]1CCC[C@@H]1NCC1(Sc2ccccc2)CC1 ZINC000096491645 473447214 /nfs/dbraw/zinc/44/72/14/473447214.db2.gz ICWUDZDJJLMLLS-LSDHHAIUSA-N 0 3 325.499 2.867 40 0 EFABHN CC1(C)[C@H](N[C@@H]2CCN(CCCc3ccccc3)C2=O)[C@@H]2CCO[C@@H]21 ZINC000096493463 473449814 /nfs/dbraw/zinc/44/98/14/473449814.db2.gz MESKWGARZPHVJP-MANSERQUSA-N 0 3 342.483 2.623 40 0 EFABHN CC1=CCC[C@H](C)[C@H]1CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000191080002 473473488 /nfs/dbraw/zinc/47/34/88/473473488.db2.gz KRLFEBASHXAORQ-FHWLQOOXSA-N 0 3 333.520 2.607 40 0 EFABHN CC(C)(C)[C@H](N)C(=O)N1CCc2cccc(Br)c2C1 ZINC000178642082 473541497 /nfs/dbraw/zinc/54/14/97/473541497.db2.gz WIEIJABKXMUNFP-CYBMUJFWSA-N 0 3 325.250 2.707 40 0 EFABHN C[C@@]1(CNC(=O)NCc2nccs2)CCCN1Cc1ccccc1 ZINC000186355964 473658208 /nfs/dbraw/zinc/65/82/08/473658208.db2.gz WSXNPQCHIVMGEK-SFHVURJKSA-N 0 3 344.484 2.997 40 0 EFABHN C[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccc(Br)cc1F ZINC000127870729 473659009 /nfs/dbraw/zinc/65/90/09/473659009.db2.gz BFCNPGUVQKXLFW-MWLCHTKSSA-N 0 3 339.212 2.845 40 0 EFABHN C[C@@H](NCc1nc2ccccc2n1C1CC1)C1CCS(=O)(=O)CC1 ZINC000192727810 473713602 /nfs/dbraw/zinc/71/36/02/473713602.db2.gz BRLYIKBOFQPQSN-CYBMUJFWSA-N 0 3 347.484 2.674 40 0 EFABHN C[C@H](CN[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(Cl)c1 ZINC000187975263 473949089 /nfs/dbraw/zinc/94/90/89/473949089.db2.gz ICYOFGPLAUHLOG-MLGOLLRUSA-N 0 3 332.835 2.572 40 0 EFABHN c1c[nH]c([C@@H](N[C@H]2CCN(CC3CCCC3)C2)c2cccnc2)n1 ZINC000195048990 473998328 /nfs/dbraw/zinc/99/83/28/473998328.db2.gz WTTFEDYHWBMBPK-ROUUACIJSA-N 0 3 325.460 2.748 40 0 EFABHN CC(C)(NC(=O)CNC[C@@H]1CCCO1)c1ccc(F)cc1Cl ZINC000195543518 474091354 /nfs/dbraw/zinc/09/13/54/474091354.db2.gz ODZXYNQPPACMJG-LBPRGKRZSA-N 0 3 328.815 2.599 40 0 EFABHN C[C@H](NC[C@H]1CCCS1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000195541273 474091397 /nfs/dbraw/zinc/09/13/97/474091397.db2.gz HEBOVJSZCSHYDP-XJKSGUPXSA-N 0 3 340.514 2.773 40 0 EFABHN OC[C@H](CN[C@@H]1CCCOc2cc(F)ccc21)Cc1ccccn1 ZINC000195557677 474093895 /nfs/dbraw/zinc/09/38/95/474093895.db2.gz VBHFUSNAXDMQBH-KBXCAEBGSA-N 0 3 330.403 2.875 40 0 EFABHN COc1ccc(C(=O)N2CCCN(CC3(C)CCOCC3)CC2)cc1 ZINC000195561811 474095531 /nfs/dbraw/zinc/09/55/31/474095531.db2.gz GEGOXCHUEALJET-UHFFFAOYSA-N 0 3 346.471 2.660 40 0 EFABHN C[C@H](CN[C@H](c1ccco1)c1ccc(F)cc1)N1CCN(C)CC1 ZINC000195560645 474096377 /nfs/dbraw/zinc/09/63/77/474096377.db2.gz RMYYPJFWWXNHMZ-BEFAXECRSA-N 0 3 331.435 2.734 40 0 EFABHN COc1ccc(C(=O)N2CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000222218459 474166965 /nfs/dbraw/zinc/16/69/65/474166965.db2.gz ZWUFFHHUFFLOMC-CGTJXYLNSA-N 0 3 326.440 2.665 40 0 EFABHN Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223252888 474182715 /nfs/dbraw/zinc/18/27/15/474182715.db2.gz BWFULUAQLLIRFM-CABCVRRESA-N 0 3 346.525 2.986 40 0 EFABHN COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@@H]2CCCOC2)cc1 ZINC000225423025 474212523 /nfs/dbraw/zinc/21/25/23/474212523.db2.gz HPQBTNJYRQYEOM-LPHOPBHVSA-N 0 3 346.471 2.765 40 0 EFABHN COCC[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000225468179 474215246 /nfs/dbraw/zinc/21/52/46/474215246.db2.gz WTUVWZFRZWPYCB-CZUORRHYSA-N 0 3 345.892 2.832 40 0 EFABHN Cc1cccc(CO[C@H]2CSC3(CN(CC4CCOCC4)C3)C2)n1 ZINC000247882677 474220856 /nfs/dbraw/zinc/22/08/56/474220856.db2.gz RVASWWMFVVWCME-GOSISDBHSA-N 0 3 348.512 2.893 40 0 EFABHN COc1cccc(CN2CC[C@@]3(CCC[C@H]3C(=O)N3CCCC3)C2)n1 ZINC000247894588 474221814 /nfs/dbraw/zinc/22/18/14/474221814.db2.gz CAWRHIMPIGMXPX-PXNSSMCTSA-N 0 3 343.471 2.705 40 0 EFABHN CO[C@](C)(C(=O)Nc1ccc(OCCN2CCCC2)cc1)C1CC1 ZINC000225643546 474232958 /nfs/dbraw/zinc/23/29/58/474232958.db2.gz AAORZBBITHLXRW-IBGZPJMESA-N 0 3 332.444 2.915 40 0 EFABHN CCN1CCN(c2ccc(N)cc2NC(=O)Cc2ccccc2)CC1 ZINC000226258409 474240633 /nfs/dbraw/zinc/24/06/33/474240633.db2.gz OLKITWZLLIZGSS-UHFFFAOYSA-N 0 3 338.455 2.592 40 0 EFABHN CN(Cc1ccccn1)[C@@H]1CO[C@@]2(CCN(Cc3ccco3)C2)C1 ZINC000248140261 474268884 /nfs/dbraw/zinc/26/88/84/474268884.db2.gz SZDRMCRURFKQDV-HKUYNNGSSA-N 0 3 327.428 2.540 40 0 EFABHN C[C@H]1OCC[C@]1(C)NCC(=O)Nc1ccc(Br)cc1 ZINC000235638867 474270139 /nfs/dbraw/zinc/27/01/39/474270139.db2.gz AJAANCHXKKRTGO-YGRLFVJLSA-N 0 3 327.222 2.545 40 0 EFABHN CN(Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC000248154680 474272727 /nfs/dbraw/zinc/27/27/27/474272727.db2.gz YUYIWESOKHMODH-UWWQBHOKSA-N 0 3 327.428 2.980 40 0 EFABHN O=C1[C@@H](N[C@@H]2CCOC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000183031692 474309436 /nfs/dbraw/zinc/30/94/36/474309436.db2.gz UQGSGIOJEHATAO-CABCVRRESA-N 0 3 342.361 2.575 40 0 EFABHN O=C1[C@H](N[C@H]2CCOC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000183031748 474310533 /nfs/dbraw/zinc/31/05/33/474310533.db2.gz UQGSGIOJEHATAO-LSDHHAIUSA-N 0 3 342.361 2.575 40 0 EFABHN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000248745378 474423177 /nfs/dbraw/zinc/42/31/77/474423177.db2.gz RVAGPGOUJRXOMF-DZJNRPSUSA-N 0 3 349.496 2.704 40 0 EFABHN CN1CCC(Oc2ccc(CNC(=O)Nc3ccncc3)cc2)CC1 ZINC000283744789 474484026 /nfs/dbraw/zinc/48/40/26/474484026.db2.gz BFHRBUMMFLDSJM-UHFFFAOYSA-N 0 3 340.427 2.876 40 0 EFABHN FC(F)(F)Oc1cccc(N2CC[C@H](NCc3cncnc3)C2)c1 ZINC000241160538 474552763 /nfs/dbraw/zinc/55/27/63/474552763.db2.gz JYBDQDBYWYBWEG-ZDUSSCGKSA-N 0 3 338.333 2.744 40 0 EFABHN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000245266886 474572758 /nfs/dbraw/zinc/57/27/58/474572758.db2.gz KNUMYPWPQPYLBT-FMKPAKJESA-N 0 3 329.444 2.625 40 0 EFABHN CC(C)[C@H](C)NC(=O)C1CCN([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000245289811 474573678 /nfs/dbraw/zinc/57/36/78/474573678.db2.gz FGSWXICBKPVXMT-ZOCIIQOWSA-N 0 3 330.472 2.517 40 0 EFABHN Cc1ccc(CN2CCC(CNC(=O)N3CCCCO3)CC2)cc1 ZINC000252481557 474667509 /nfs/dbraw/zinc/66/75/09/474667509.db2.gz COBBGUAVFMKZNW-UHFFFAOYSA-N 0 3 331.460 2.944 40 0 EFABHN CC[C@H](COc1ccccc1)NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000252487604 474672748 /nfs/dbraw/zinc/67/27/48/474672748.db2.gz ZJEVVRJGGITSDO-NUJGCVRESA-N 0 3 333.476 2.826 40 0 EFABHN C[C@@H]1CCCN(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)C1 ZINC000252539001 474696762 /nfs/dbraw/zinc/69/67/62/474696762.db2.gz NQUJIBFSHIZXMR-APWZRJJASA-N 0 3 345.487 2.585 40 0 EFABHN CO[C@@H]1CCCC[C@@H]1N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000252585714 474699668 /nfs/dbraw/zinc/69/96/68/474699668.db2.gz KLVIAGOJILPPTJ-HYVNUMGLSA-N 0 3 325.474 2.704 40 0 EFABHN O=S1(=O)CCCN1[C@H]1CCCN(CCSC2CCCCC2)C1 ZINC000253398467 474737203 /nfs/dbraw/zinc/73/72/03/474737203.db2.gz RAYWELQYFDFJSX-HNNXBMFYSA-N 0 3 346.562 2.552 40 0 EFABHN Cn1cc(-c2cc(CN3CCC(Cc4cccnc4)CC3)on2)cn1 ZINC000253421160 474748743 /nfs/dbraw/zinc/74/87/43/474748743.db2.gz QYAGYNDOCYAXNV-UHFFFAOYSA-N 0 3 337.427 2.925 40 0 EFABHN Nc1cc(CN2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)ccn1 ZINC000253432473 474758471 /nfs/dbraw/zinc/75/84/71/474758471.db2.gz KNJYCDAIHUDZBK-NSHDSACASA-N 0 3 325.338 2.785 40 0 EFABHN C[C@@H]1C[C@H]1C(=O)N1CC2(C1)C[C@@H](COCC1CC1)CCN2CC1CC1 ZINC000306128516 474807209 /nfs/dbraw/zinc/80/72/09/474807209.db2.gz HCWSWOIDALXQKT-AYOQOUSVSA-N 0 3 346.515 2.772 40 0 EFABHN c1nn2ccc(-c3cccnc3)cc2c1N1CCN(CC2CC2)CC1 ZINC000306126294 474807750 /nfs/dbraw/zinc/80/77/50/474807750.db2.gz DRYUUVBINIDPIZ-UHFFFAOYSA-N 0 3 333.439 2.928 40 0 EFABHN Cn1cc(CN2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)cn1 ZINC000306132750 474808748 /nfs/dbraw/zinc/80/87/48/474808748.db2.gz LQZGHNKFJDDYIA-QZTJIDSGSA-N 0 3 333.439 2.588 40 0 EFABHN CNc1cncc([C@@H]2CCCN2C(=O)c2ccc(CN(C)C)cc2)n1 ZINC000257281395 474928717 /nfs/dbraw/zinc/92/87/17/474928717.db2.gz OOYWLNZUUZSQJV-KRWDZBQOSA-N 0 3 339.443 2.557 40 0 EFABHN Cc1ncsc1C(=O)N1CC[C@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257283169 474930007 /nfs/dbraw/zinc/93/00/07/474930007.db2.gz OXAJCGDXFIQJIH-ZDUSSCGKSA-N 0 3 330.457 2.851 40 0 EFABHN Cc1ccncc1CN1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257289044 474934311 /nfs/dbraw/zinc/93/43/11/474934311.db2.gz PWSWVBWVBLLPTE-INIZCTEOSA-N 0 3 334.427 2.745 40 0 EFABHN CN(C(=O)c1[nH]nc2ccccc21)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257288803 474935372 /nfs/dbraw/zinc/93/53/72/474935372.db2.gz PVTWZDRBSIMKCF-CQSZACIVSA-N 0 3 335.411 2.699 40 0 EFABHN Cc1cc(C(=O)N2CCC[C@@H]2c2cccc(CN3CCCC3)n2)no1 ZINC000257319244 474951369 /nfs/dbraw/zinc/95/13/69/474951369.db2.gz VRMFXOWNAODORS-GOSISDBHSA-N 0 3 340.427 2.951 40 0 EFABHN Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3n[nH]c4ccccc43)C2)n1 ZINC000257321868 474953289 /nfs/dbraw/zinc/95/32/89/474953289.db2.gz WDPMSVXSQCTPCT-AWEZNQCLSA-N 0 3 349.438 2.962 40 0 EFABHN CNc1cc(C)nc([C@@H]2CN(C(=O)c3ccccc3F)CCO2)c1 ZINC000257325808 474954946 /nfs/dbraw/zinc/95/49/46/474954946.db2.gz WUNCRNMMYJRIAA-KRWDZBQOSA-N 0 3 329.375 2.785 40 0 EFABHN CNC(=O)c1sc2nccnc2c1[C@H]1CCN(C2CCCC2)C1 ZINC000257332633 474960190 /nfs/dbraw/zinc/96/01/90/474960190.db2.gz XYBSVWBVGAISAM-NSHDSACASA-N 0 3 330.457 2.783 40 0 EFABHN Cn1cc(CN2CCN(C)C[C@H](Cc3cncc4ccccc43)C2)cn1 ZINC000257343296 474965233 /nfs/dbraw/zinc/96/52/33/474965233.db2.gz ZSHSQAYDLQLHFS-KRWDZBQOSA-N 0 3 349.482 2.575 40 0 EFABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3cccc(F)c3)CCO2)n1 ZINC000257344680 474965252 /nfs/dbraw/zinc/96/52/52/474965252.db2.gz ZYGSJQJWPOHOEG-SFHVURJKSA-N 0 3 343.402 2.809 40 0 EFABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3cccc(F)c3)CCO2)n1 ZINC000257344679 474965893 /nfs/dbraw/zinc/96/58/93/474965893.db2.gz ZYGSJQJWPOHOEG-GOSISDBHSA-N 0 3 343.402 2.809 40 0 EFABHN O=C([C@@H]1CCC[C@]12CCN(Cc1cccnc1)C2)N1CC(F)(F)C1 ZINC000503788344 478846766 /nfs/dbraw/zinc/84/67/66/478846766.db2.gz LIOKTPLQXGBAPI-DOTOQJQBSA-N 0 3 335.398 2.551 40 0 EFABHN CN(C)C(=O)COCC[C@@H]1Cn2cccc2CN(CC2CCCC2)C1 ZINC000585095514 479279493 /nfs/dbraw/zinc/27/94/93/479279493.db2.gz UXQOHPXMWXHQQJ-SFHVURJKSA-N 0 3 347.503 2.605 40 0 EFABHN Cc1cc(OC[C@]2(O)COCCN(C3CCCCC3)C2)ccc1F ZINC000585284611 479307759 /nfs/dbraw/zinc/30/77/59/479307759.db2.gz YQLISZCCWSOUJT-LJQANCHMSA-N 0 3 337.435 2.909 40 0 EFABHN CN(C)c1ccc(CNC[C@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)o1 ZINC000585287293 479309250 /nfs/dbraw/zinc/30/92/50/479309250.db2.gz XCAYVMYQFCDVSV-LSBZLQRGSA-N 0 3 330.428 2.654 40 0 EFABHN O=C(CCSc1ccccc1)NCC1CCN([C@H]2CCOC2)CC1 ZINC000575605688 479450745 /nfs/dbraw/zinc/45/07/45/479450745.db2.gz GTPWTDOZYHRQRF-KRWDZBQOSA-N 0 3 348.512 2.786 40 0 EFABHN CC[C@H](C(=O)NCC1CCN([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000575608363 479451649 /nfs/dbraw/zinc/45/16/49/479451649.db2.gz SKAXBQSIIJANQU-MOPGFXCFSA-N 0 3 330.472 2.797 40 0 EFABHN COc1cccc2c1CC[C@@H]2NC(=O)N(C)CC1(N(C)C)CCC1 ZINC000187305674 533864244 /nfs/dbraw/zinc/86/42/44/533864244.db2.gz XUHPRDGQYLFKKD-INIZCTEOSA-N 0 3 331.460 2.808 40 0 EFABHN COC(=O)c1coc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)c1 ZINC000184077114 534313757 /nfs/dbraw/zinc/31/37/57/534313757.db2.gz VUVNRSWAUBYZLZ-OAHLLOKOSA-N 0 3 340.379 2.691 40 0 EFABHN CC(=O)NC1CCC(N[C@H](CO)c2ccc(Cl)c(F)c2)CC1 ZINC000133346660 526702239 /nfs/dbraw/zinc/70/22/39/526702239.db2.gz FNGWTHULAVIKIM-SEEARECTSA-N 0 3 328.815 2.549 40 0 EFABHN CC(C)N(C)c1ccc(CN[C@@H]2CCN(c3ccccn3)C2)cn1 ZINC000191475291 528844078 /nfs/dbraw/zinc/84/40/78/528844078.db2.gz NPKUJSKJHWNSPX-QGZVFWFLSA-N 0 3 325.460 2.690 40 0 EFABHN CC(C)(N)C(=O)N1CCC[C@@H]1c1cncc(Oc2ccccc2F)n1 ZINC000257208605 535194252 /nfs/dbraw/zinc/19/42/52/535194252.db2.gz BMVQJXMORPHBQT-CQSZACIVSA-N 0 3 344.390 2.809 40 0 EFABHN CCO[C@@H]1C[C@@H](NCc2ccnn2-c2ccccc2)C12CCOCC2 ZINC000241969494 535413296 /nfs/dbraw/zinc/41/32/96/535413296.db2.gz UWQORDYKBWRBKB-RTBURBONSA-N 0 3 341.455 2.936 40 0 EFABHN C[C@@H](CN[C@@H](C)C(=O)Nc1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000225583123 564149804 /nfs/dbraw/zinc/14/98/04/564149804.db2.gz STQGWJWPAJFOHU-HOTGVXAUSA-N 0 3 349.438 2.988 40 0 EFABHN C[C@H](CN[C@@H](C)C(=O)Nc1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000225583172 564149823 /nfs/dbraw/zinc/14/98/23/564149823.db2.gz STQGWJWPAJFOHU-CVEARBPZSA-N 0 3 349.438 2.988 40 0 EFABHN COc1ccc2nccc(N3CCN(Cc4cc(C)no4)CC3)c2c1 ZINC000891618700 714865208 /nfs/dbraw/zinc/86/52/08/714865208.db2.gz USCZXFANPPCZQI-UHFFFAOYSA-N 0 3 338.411 2.862 40 0 EFABHN CN(C)CCn1ccc(NC(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000173929590 231073806 /nfs/dbraw/zinc/07/38/06/231073806.db2.gz YIGDQVPYCDZSSH-ZDUSSCGKSA-N 0 3 333.461 2.875 40 0 EFABHN CN(C)C(C)(C)COC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000004215639 210145225 /nfs/dbraw/zinc/14/52/25/210145225.db2.gz GUONSMXZEYTWML-UHFFFAOYSA-N 0 3 327.424 2.806 40 0 in-man EFABHN C[C@@H](NC[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 ZINC000004023018 210101432 /nfs/dbraw/zinc/10/14/32/210101432.db2.gz HEBNAYZDCNQROW-LPMFXHHGSA-N 0 3 327.380 2.645 40 0 EFABHN CN(C)c1c(Cl)cccc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000102716828 219224178 /nfs/dbraw/zinc/22/41/78/219224178.db2.gz HILFQSIWGPBBNN-ZDUSSCGKSA-N 0 3 334.851 2.884 40 0 EFABHN O=C(NCCNCc1cnc(-c2ccccc2)s1)c1cccnc1 ZINC000066972735 215100157 /nfs/dbraw/zinc/10/01/57/215100157.db2.gz XLFPPTUJRHAYSD-UHFFFAOYSA-N 0 3 338.436 2.725 40 0 EFABHN CN(C)CCNC(=O)c1ccccc1COc1ccc(F)cc1F ZINC000002788259 209913570 /nfs/dbraw/zinc/91/35/70/209913570.db2.gz ZRVDCOUVOAWQBJ-UHFFFAOYSA-N 0 3 334.366 2.835 40 0 EFABHN O=C(CCc1nc2ccccc2[nH]1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000040464618 213308108 /nfs/dbraw/zinc/30/81/08/213308108.db2.gz MQRHMFSVQILKSB-KRWDZBQOSA-N 0 3 348.450 2.886 40 0 EFABHN CN1CCC2(CC1)c1cccc(F)c1N(Cc1cccnc1)C2=O ZINC000105050123 219450520 /nfs/dbraw/zinc/45/05/20/219450520.db2.gz ZTESZTKHMUJLIR-UHFFFAOYSA-N 0 3 325.387 2.731 40 0 EFABHN Cc1nnsc1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000038584393 213216411 /nfs/dbraw/zinc/21/64/11/213216411.db2.gz QJHLJAYUYYXZQJ-UHFFFAOYSA-N 0 3 336.486 2.550 40 0 EFABHN Cc1nc(NCCNC(=O)Nc2ccccc2)cc(N2CCCC2)n1 ZINC000036708088 213112625 /nfs/dbraw/zinc/11/26/25/213112625.db2.gz NEGLDPPBYPZJGX-UHFFFAOYSA-N 0 3 340.431 2.619 40 0 EFABHN Cc1cc(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)co1 ZINC000187735330 236287178 /nfs/dbraw/zinc/28/71/78/236287178.db2.gz NJDHKHVBPNRZAD-IBGZPJMESA-N 0 3 342.439 2.763 40 0 EFABHN CN(C)c1ccc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)cn1 ZINC000035426273 213027292 /nfs/dbraw/zinc/02/72/92/213027292.db2.gz GHULYHXGQFMGIV-HNNXBMFYSA-N 0 3 343.431 2.514 40 0 biogenic,in-vitro EFABHN COCCNc1cc(-c2noc([C@@H]3CCCN3CC(C)C)n2)ccn1 ZINC000035424553 213027050 /nfs/dbraw/zinc/02/70/50/213027050.db2.gz FYMVXZAURPHIGA-HNNXBMFYSA-N 0 3 345.447 2.983 40 0 biogenic,in-vitro EFABHN CN(C)CC(C)(C)CNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000072277365 216103949 /nfs/dbraw/zinc/10/39/49/216103949.db2.gz CKNHYUPHNTYULA-UHFFFAOYSA-N 0 3 338.395 2.980 40 0 EFABHN O=c1n(C2CC2)nnn1C1CCN(Cc2cccc3ccccc32)CC1 ZINC000072335779 216157768 /nfs/dbraw/zinc/15/77/68/216157768.db2.gz VBAJHDQJPIOEHT-UHFFFAOYSA-N 0 3 349.438 2.765 40 0 EFABHN c1ccc(Nc2nccnc2[C@H]2CCCN2C2CCOCC2)nc1 ZINC000072363639 216169797 /nfs/dbraw/zinc/16/97/97/216169797.db2.gz FRMYPSHFDLBDSV-OAHLLOKOSA-N 0 3 325.416 2.931 40 0 EFABHN COCCN1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccccc1 ZINC000072376815 216178706 /nfs/dbraw/zinc/17/87/06/216178706.db2.gz PNGAKSNHOCMZSK-KRWDZBQOSA-N 0 3 326.444 2.993 40 0 EFABHN O=c1cc([C@H]2CCC[N@H+](Cc3ccoc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392937 216190711 /nfs/dbraw/zinc/19/07/11/216190711.db2.gz FYPICXCXTQULML-INIZCTEOSA-N 0 3 336.395 2.805 40 0 EFABHN O=c1cc([C@H]2CCC[N@@H+](Cc3ccoc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392937 216190714 /nfs/dbraw/zinc/19/07/14/216190714.db2.gz FYPICXCXTQULML-INIZCTEOSA-N 0 3 336.395 2.805 40 0 EFABHN O=c1cc(CN2CCC[C@H]2C[C@H](O)c2ccccc2)nc2ccccn12 ZINC000072867376 216323204 /nfs/dbraw/zinc/32/32/04/216323204.db2.gz VEOCNSWWVMSCTL-OALUTQOASA-N 0 3 349.434 2.783 40 0 EFABHN Cc1ncsc1CN1CC[C@]2(CCC[C@@H]2C(=O)NCC2CC2)C1 ZINC000108534811 219902262 /nfs/dbraw/zinc/90/22/62/219902262.db2.gz DMIYSAKEXNHGTC-CRAIPNDOSA-N 0 3 333.501 2.970 40 0 EFABHN Cc1n[nH]c(C)c1NC(=O)CN[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000191889638 239366908 /nfs/dbraw/zinc/36/69/08/239366908.db2.gz AEGSOODPJZHOGF-IAGOWNOFSA-N 0 3 326.444 2.966 40 0 EFABHN Cc1n[nH]c(C)c1NC(=O)CN[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000191889668 239366964 /nfs/dbraw/zinc/36/69/64/239366964.db2.gz AEGSOODPJZHOGF-IRXDYDNUSA-N 0 3 326.444 2.966 40 0 EFABHN COc1ccc([C@H](CNC(=O)CCc2c(C)noc2C)N(C)C)cc1 ZINC000023228121 212360773 /nfs/dbraw/zinc/36/07/73/212360773.db2.gz KSHKBXKBVJMNDM-SFHVURJKSA-N 0 3 345.443 2.652 40 0 EFABHN COCCN1CCC(CNC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000023014149 212342177 /nfs/dbraw/zinc/34/21/77/212342177.db2.gz ZDWQURNXWOSNFZ-UHFFFAOYSA-N 0 3 344.377 2.794 40 0 EFABHN CC(=O)c1ccc(NC(=O)CNC[C@H](c2ccccc2)N(C)C)cc1 ZINC000022030010 212272644 /nfs/dbraw/zinc/27/26/44/212272644.db2.gz GUJKJEIBMNQZDX-LJQANCHMSA-N 0 3 339.439 2.720 40 0 EFABHN C[C@H]1Cc2ccccc2N1C(=O)CNC[C@H](c1ccccc1)N(C)C ZINC000022029785 212273089 /nfs/dbraw/zinc/27/30/89/212273089.db2.gz AJSDXPFEUQMXMR-OXJNMPFZSA-N 0 3 337.467 2.857 40 0 EFABHN CCN1CCN(c2cc(NC(=O)c3ccccc3)c(N)cc2C)CC1 ZINC000216867778 241217462 /nfs/dbraw/zinc/21/74/62/241217462.db2.gz WSJQAZGCHOXCEF-UHFFFAOYSA-N 0 3 338.455 2.971 40 0 EFABHN CN(C[C@@H]1CCOC1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000245339121 243104695 /nfs/dbraw/zinc/10/46/95/243104695.db2.gz QOTLJDDOOGQCBJ-NHYWBVRUSA-N 0 3 326.799 2.553 40 0 EFABHN COc1ccccc1NC(=O)CN1CCN(C[C@H](C)CC(C)C)CC1 ZINC000252508437 243833987 /nfs/dbraw/zinc/83/39/87/243833987.db2.gz XNITWOOFVSSPQA-QGZVFWFLSA-N 0 3 347.503 2.934 40 0 EFABHN CCO[C@@H]1C[C@H](N(C)C[C@@H]2CCCS(=O)(=O)C2)C1(CC)CC ZINC000252490340 243795518 /nfs/dbraw/zinc/79/55/18/243795518.db2.gz KPYJNTFBBJAAGH-HRCADAONSA-N 0 3 331.522 2.727 40 0 EFABHN Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc(CN(C)C)cc3)C2)n1 ZINC000257225709 244198673 /nfs/dbraw/zinc/19/86/73/244198673.db2.gz FHKQICIWPABFSN-KRWDZBQOSA-N 0 3 326.444 2.800 40 0 EFABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)COc3cccc(F)c3)C2)c1 ZINC000257246813 244257332 /nfs/dbraw/zinc/25/73/32/244257332.db2.gz IVYAJHXIKBUBGE-CQSZACIVSA-N 0 3 343.402 2.966 40 0 EFABHN Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000257235924 244229703 /nfs/dbraw/zinc/22/97/03/244229703.db2.gz HACFBNAMRYWXFM-MRXNPFEDSA-N 0 3 334.427 2.950 40 0 EFABHN CN1CCN(Cc2c[nH]cn2)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257242890 244247527 /nfs/dbraw/zinc/24/75/27/244247527.db2.gz IEPXOBNOOPWWBC-MRXNPFEDSA-N 0 3 335.455 2.564 40 0 EFABHN c1[nH]nc(-c2ccccc2)c1CN1CCOC[C@H](Cc2ccncn2)C1 ZINC000257252502 244272709 /nfs/dbraw/zinc/27/27/09/244272709.db2.gz JVABTMGJBGGSJT-MRXNPFEDSA-N 0 3 349.438 2.558 40 0 EFABHN CNc1cc(C)nc([C@@H]2CN(C(=O)c3cccc(OC)c3)CCO2)c1 ZINC000257268167 244368009 /nfs/dbraw/zinc/36/80/09/244368009.db2.gz MKMXLSLMGFHXPE-SFHVURJKSA-N 0 3 341.411 2.654 40 0 EFABHN Cc1ccsc1CN1CCOC[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000257262553 244350849 /nfs/dbraw/zinc/35/08/49/244350849.db2.gz LLWYDCCUPAUKGJ-HNNXBMFYSA-N 0 3 346.500 2.604 40 0 EFABHN CNc1cc(C)nc([C@H]2CN(C(=O)c3ccc(F)cc3)CCO2)c1 ZINC000257278343 244396383 /nfs/dbraw/zinc/39/63/83/244396383.db2.gz OBWQHQKRJWYGFX-QGZVFWFLSA-N 0 3 329.375 2.785 40 0 EFABHN Cc1nc2ccccn2c1CN1CC[C@@H](C(=O)NC2CCCC2)C1 ZINC000019750424 212062046 /nfs/dbraw/zinc/06/20/46/212062046.db2.gz PLUKBUGEFCXILB-OAHLLOKOSA-N 0 3 326.444 2.523 40 0 EFABHN CC(C)Nc1nc(C2CC[NH+](Cc3cccnc3)CC2)cc(=O)[n-]1 ZINC000019717423 212056724 /nfs/dbraw/zinc/05/67/24/212056724.db2.gz VWVNJLKKOPUTCJ-UHFFFAOYSA-N 0 3 327.432 2.777 40 0 EFABHN Cc1nc(C(F)(F)F)ccc1C(=O)N(C)CCN1CCCCC1 ZINC000019656621 212053547 /nfs/dbraw/zinc/05/35/47/212053547.db2.gz LTYVLQJDHOQFAU-UHFFFAOYSA-N 0 3 329.366 2.967 40 0 EFABHN Cc1nc2cc(C(=O)NCC(C)(C)N3CCCCC3)ccc2n1C ZINC000019656362 212052936 /nfs/dbraw/zinc/05/29/36/212052936.db2.gz PNPKKFCKDRORMF-UHFFFAOYSA-N 0 3 328.460 2.876 40 0 EFABHN CN(CCN1CCCCC1)C(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000019656513 212052718 /nfs/dbraw/zinc/05/27/18/212052718.db2.gz MWVXYBUXVSTSCV-UHFFFAOYSA-N 0 3 340.427 2.527 40 0 EFABHN Cn1c(CCC(=O)NCC(C)(C)N2CCCCC2)nc2ccccc21 ZINC000019656583 212052606 /nfs/dbraw/zinc/05/26/06/212052606.db2.gz TWFOFKWXUKQRCD-UHFFFAOYSA-N 0 3 342.487 2.887 40 0 EFABHN COCC(=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1 ZINC000019593011 212050798 /nfs/dbraw/zinc/05/07/98/212050798.db2.gz RLHQTIITDKMFJG-UHFFFAOYSA-N 0 3 348.462 2.865 40 0 EFABHN COc1ccc(OC)c(CN(CCN(C)C)Cc2ccncc2)c1 ZINC000019582702 212046708 /nfs/dbraw/zinc/04/67/08/212046708.db2.gz CZVYQUAPOXGAHE-UHFFFAOYSA-N 0 3 329.444 2.663 40 0 EFABHN CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C)C1 ZINC000019588500 212048999 /nfs/dbraw/zinc/04/89/99/212048999.db2.gz WEJXMVOAVXNHRI-LJQANCHMSA-N 0 3 327.428 2.684 40 0 EFABHN CCOc1ccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 ZINC000019533370 212039435 /nfs/dbraw/zinc/03/94/35/212039435.db2.gz YNJACQZUAQAWPF-LJQANCHMSA-N 0 3 338.455 2.858 40 0 EFABHN CCNC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000019529374 212039066 /nfs/dbraw/zinc/03/90/66/212039066.db2.gz TWRAKZUKYZQQCU-OALUTQOASA-N 0 3 336.435 2.754 40 0 EFABHN C1=C[C@H]2C[C@@H]1C[C@H]2CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019345787 212019602 /nfs/dbraw/zinc/01/96/02/212019602.db2.gz JBVCATTYCGLWHJ-NJAFHUGGSA-N 0 3 326.440 2.745 40 0 EFABHN O=c1cc(-c2cccnc2)nc([C@H]2CCCN(Cc3ccncc3)C2)[nH]1 ZINC000019340264 212018569 /nfs/dbraw/zinc/01/85/69/212018569.db2.gz PVYXRRYJPXUYOO-KRWDZBQOSA-N 0 3 347.422 2.607 40 0 EFABHN O=C(CC1CCCCC1)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019292299 212011357 /nfs/dbraw/zinc/01/13/57/212011357.db2.gz GBMCGKANAOYFAF-MRXNPFEDSA-N 0 3 342.487 2.799 40 0 EFABHN Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)[N@@H+]1Cc1ccc(Cl)cc1 ZINC000019286353 212010731 /nfs/dbraw/zinc/01/07/31/212010731.db2.gz SUNSSIBFRXCURX-CABCVRRESA-N 0 3 329.831 2.864 40 0 EFABHN Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)[N@H+]1Cc1ccc(Cl)cc1 ZINC000019286353 212010734 /nfs/dbraw/zinc/01/07/34/212010734.db2.gz SUNSSIBFRXCURX-CABCVRRESA-N 0 3 329.831 2.864 40 0 EFABHN Cc1cc2nc([C@H]3CCCN(Cc4cccc(C)n4)C3)cc(N)n2n1 ZINC000019236225 212006877 /nfs/dbraw/zinc/00/68/77/212006877.db2.gz FTPRYAHYQOTPDT-HNNXBMFYSA-N 0 3 336.443 2.703 40 0 EFABHN CCS[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000078289477 217038143 /nfs/dbraw/zinc/03/81/43/217038143.db2.gz SPLRMTLHHABSJG-HOTGVXAUSA-N 0 3 325.522 2.977 40 0 EFABHN CC(=O)Nc1ccc(CCNCc2cccc3c2OCCO3)cc1 ZINC000078411727 217049954 /nfs/dbraw/zinc/04/99/54/217049954.db2.gz FUMOIWMBSMAJMR-UHFFFAOYSA-N 0 3 326.396 2.749 40 0 EFABHN Cc1cc(CNCc2cccnc2N2CCN(C)CC2)ccc1F ZINC000078552419 217073402 /nfs/dbraw/zinc/07/34/02/217073402.db2.gz WYWDVXNGUMZFOZ-UHFFFAOYSA-N 0 3 328.435 2.571 40 0 EFABHN C[C@@H](NCc1cccnc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000078553313 217074630 /nfs/dbraw/zinc/07/46/30/217074630.db2.gz GBJNFLHAINLNES-OAHLLOKOSA-N 0 3 328.435 2.823 40 0 EFABHN CS(=O)(=O)c1ccc(OCCNCc2cccc(Cl)c2)cc1 ZINC000078602400 217083779 /nfs/dbraw/zinc/08/37/79/217083779.db2.gz XVCOASSHSURCKP-UHFFFAOYSA-N 0 3 339.844 2.912 40 0 EFABHN O=C(c1ncoc1-c1cccs1)N1CCN(c2ccncc2)CC1 ZINC000078661561 217096482 /nfs/dbraw/zinc/09/64/82/217096482.db2.gz ZMIXJFQJYPJIPN-UHFFFAOYSA-N 0 3 340.408 2.761 40 0 EFABHN c1cc(CN2CCCCC2)cc(-c2noc([C@@H]3COCCO3)n2)c1 ZINC000078774536 217118649 /nfs/dbraw/zinc/11/86/49/217118649.db2.gz UVFYCABLBOBFBV-INIZCTEOSA-N 0 3 329.400 2.810 40 0 EFABHN COC(=O)NCCc1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000078774532 217118927 /nfs/dbraw/zinc/11/89/27/217118927.db2.gz CWHXWIQKISHZDC-UHFFFAOYSA-N 0 3 344.415 2.621 40 0 EFABHN CC(C(=O)N[C@@H](Cc1ccc(F)cc1)c1ccccc1)S(C)(=O)=O ZINC000079040416 217179579 /nfs/dbraw/zinc/17/95/79/217179579.db2.gz XFLPQGOJLRNFSA-GUYCJALGSA-N 0 3 349.427 2.659 40 0 EFABHN CC(C(=O)N[C@H](Cc1ccc(F)cc1)c1ccccc1)S(C)(=O)=O ZINC000079040428 217179829 /nfs/dbraw/zinc/17/98/29/217179829.db2.gz XFLPQGOJLRNFSA-SUMWQHHRSA-N 0 3 349.427 2.659 40 0 EFABHN CC(C(=O)N(Cc1c(F)cccc1F)C1CCCC1)S(C)(=O)=O ZINC000079040590 217180041 /nfs/dbraw/zinc/18/00/41/217180041.db2.gz MKSRHODKTDVAOP-NSHDSACASA-N 0 3 345.411 2.669 40 0 EFABHN CS[C@@H](C)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000079096309 217191354 /nfs/dbraw/zinc/19/13/54/217191354.db2.gz NYXHOAVFJGWXBX-GJZGRUSLSA-N 0 3 336.501 2.754 40 0 EFABHN CS[C@H](C)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000079096300 217191851 /nfs/dbraw/zinc/19/18/51/217191851.db2.gz NYXHOAVFJGWXBX-LSDHHAIUSA-N 0 3 336.501 2.754 40 0 EFABHN COC(=O)CCN(Cc1cccc2cccnc21)C[C@H]1CCCO1 ZINC000079354512 217213352 /nfs/dbraw/zinc/21/33/52/217213352.db2.gz MLGSLMOTCQMZEG-QGZVFWFLSA-N 0 3 328.412 2.779 40 0 EFABHN C[C@@H]1C[C@H](NC(=O)Nc2cnn(C)c2)CCN1Cc1ccccc1 ZINC000079778789 217254108 /nfs/dbraw/zinc/25/41/08/217254108.db2.gz VAFDTSLKQUGORT-GDBMZVCRSA-N 0 3 327.432 2.595 40 0 EFABHN CC(C)N1CCC(CNS(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000012441478 211383003 /nfs/dbraw/zinc/38/30/03/211383003.db2.gz VOOHMIPXSGUPMM-UHFFFAOYSA-N 0 3 344.908 2.880 40 0 EFABHN CN(C)CCN(C)C(=O)Cc1csc(Nc2ccccc2F)n1 ZINC000012325486 211349671 /nfs/dbraw/zinc/34/96/71/211349671.db2.gz YUZOPTNPHQLRPP-UHFFFAOYSA-N 0 3 336.436 2.588 40 0 EFABHN COc1cccc([C@@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)c1 ZINC000012292503 211335250 /nfs/dbraw/zinc/33/52/50/211335250.db2.gz IOERBOTXHXPRJI-IBGZPJMESA-N 0 3 345.414 2.851 40 0 EFABHN COc1ccc(Cl)cc1NC(=S)NC[C@@H]1CCCN(C)C1 ZINC000009876408 211129619 /nfs/dbraw/zinc/12/96/19/211129619.db2.gz YLCWWHNOWONVBP-NSHDSACASA-N 0 3 327.881 2.977 40 0 EFABHN CCN(CCNC(=O)c1sccc1NC(=O)c1ccoc1)C1CC1 ZINC000095350995 218284937 /nfs/dbraw/zinc/28/49/37/218284937.db2.gz JADBMWZMTJIQDZ-UHFFFAOYSA-N 0 3 347.440 2.808 40 0 EFABHN C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1csc(C2CC2)n1 ZINC000095405331 218341078 /nfs/dbraw/zinc/34/10/78/218341078.db2.gz XVFZDNCMTWDMQB-YUTCNCBUSA-N 0 3 334.489 2.960 40 0 EFABHN Cc1nc(-c2ccccc2NC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)no1 ZINC000095418298 218357950 /nfs/dbraw/zinc/35/79/50/218357950.db2.gz NAZLVLZCJLFUDR-LRDDRELGSA-N 0 3 343.431 2.849 40 0 EFABHN C[C@H](NCC(C)(C)N1CCOCC1)c1cnn(-c2ccccc2)c1 ZINC000095419317 218359366 /nfs/dbraw/zinc/35/93/66/218359366.db2.gz QRQVABPAIBBFID-INIZCTEOSA-N 0 3 328.460 2.634 40 0 EFABHN Cc1cc([C@](C)(O)CN[C@H](C)CC(=O)N2CCCCCC2)c(C)o1 ZINC000095423154 218364964 /nfs/dbraw/zinc/36/49/64/218364964.db2.gz AOHFCWQZFRMTTR-AUUYWEPGSA-N 0 3 336.476 2.875 40 0 EFABHN Cc1cc([C@@](C)(O)CN[C@H](C)CC(=O)N2CCCCCC2)c(C)o1 ZINC000095423155 218365397 /nfs/dbraw/zinc/36/53/97/218365397.db2.gz AOHFCWQZFRMTTR-KUHUBIRLSA-N 0 3 336.476 2.875 40 0 EFABHN COc1cc(CNC(=O)[C@@H]2CCCCN2)ccc1OC1CCCC1 ZINC000095426450 218368679 /nfs/dbraw/zinc/36/86/79/218368679.db2.gz OVHPJUFWOLHVKP-INIZCTEOSA-N 0 3 332.444 2.775 40 0 EFABHN CN(CCC(=O)Nc1cccc(F)c1)[C@H]1CCCc2c1cnn2C ZINC000095432454 218375133 /nfs/dbraw/zinc/37/51/33/218375133.db2.gz QRUAEJIJZNADSQ-INIZCTEOSA-N 0 3 330.407 2.897 40 0 EFABHN Cc1nc(-c2cccc(OC[C@@H](O)CN3CCC(C)CC3)c2)no1 ZINC000095439087 218383173 /nfs/dbraw/zinc/38/31/73/218383173.db2.gz DYBMIZUOHXIGGL-INIZCTEOSA-N 0 3 331.416 2.517 40 0 EFABHN Cc1nc(-c2cccc(OC[C@H](O)CN3CCC(C)CC3)c2)no1 ZINC000095439086 218383350 /nfs/dbraw/zinc/38/33/50/218383350.db2.gz DYBMIZUOHXIGGL-MRXNPFEDSA-N 0 3 331.416 2.517 40 0 EFABHN CN(Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1ccnnc1)CC2 ZINC000096051588 218541958 /nfs/dbraw/zinc/54/19/58/218541958.db2.gz NGUYORZHAYISQE-QGZVFWFLSA-N 0 3 340.427 2.586 40 0 EFABHN O=C(NCC1CC1)[C@H]1CCC2(CCN(Cc3cccs3)CC2)O1 ZINC000096061160 218554756 /nfs/dbraw/zinc/55/47/56/218554756.db2.gz QXVNFUMUBPUUSF-MRXNPFEDSA-N 0 3 334.485 2.788 40 0 EFABHN Cc1ccc(C(=O)N2C[C@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)cn1 ZINC000096161699 218637667 /nfs/dbraw/zinc/63/76/67/218637667.db2.gz YGHBHQWYFCOZSY-HDICACEKSA-N 0 3 339.414 2.733 40 0 EFABHN Brc1cccc(-c2ccc3nnc([C@H]4CCCN4)n3n2)c1 ZINC000217557092 532967112 /nfs/dbraw/zinc/96/71/12/532967112.db2.gz TXRMRRSILVNFBG-CYBMUJFWSA-N 0 3 344.216 2.978 40 0 EFABHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000096435176 218813617 /nfs/dbraw/zinc/81/36/17/218813617.db2.gz DWKRZNHLVWBGMK-HNNXBMFYSA-N 0 3 327.432 2.678 40 0 EFABHN CCS[C@@H]1CCC[C@@H](NC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000096452314 218835998 /nfs/dbraw/zinc/83/59/98/218835998.db2.gz GBQFUICDPAJRPJ-GDBMZVCRSA-N 0 3 325.522 2.977 40 0 EFABHN NC(=O)N1CCC(NCc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000096483931 218860136 /nfs/dbraw/zinc/86/01/36/218860136.db2.gz PTMOBHGHYWAFBZ-UHFFFAOYSA-N 0 3 335.757 2.992 40 0 EFABHN CN1CCC(N(Cc2ccco2)C(=O)Cc2cccc(O)c2)CC1 ZINC000097236553 219002309 /nfs/dbraw/zinc/00/23/09/219002309.db2.gz RCEAZAPVQRYRCJ-UHFFFAOYSA-N 0 3 328.412 2.651 40 0 EFABHN O[C@@H](CNC[C@H]1COc2ccccc2O1)COc1ccc(Cl)cc1 ZINC000004866855 210307345 /nfs/dbraw/zinc/30/73/45/210307345.db2.gz BADSCWFHJCUJTF-HOCLYGCPSA-N 0 3 349.814 2.509 40 0 EFABHN O[C@H](CNC[C@@H]1COc2ccccc2O1)COc1ccc(Cl)cc1 ZINC000004866862 210306654 /nfs/dbraw/zinc/30/66/54/210306654.db2.gz BADSCWFHJCUJTF-GDBMZVCRSA-N 0 3 349.814 2.509 40 0 EFABHN COc1cccc(N2CC[C@@H](CNCc3c(Cl)cnn3C)C2)c1 ZINC000131082931 533580861 /nfs/dbraw/zinc/58/08/61/533580861.db2.gz YUPMCIMAWJMVGG-ZDUSSCGKSA-N 0 3 334.851 2.698 40 0 EFABHN O=C(c1cc(C2CC2)on1)N1CCCSC[C@@H]1CN1CCCCC1 ZINC000079669228 304482174 /nfs/dbraw/zinc/48/21/74/304482174.db2.gz DFUCALXDJVOTLY-HNNXBMFYSA-N 0 3 349.500 2.986 40 0 EFABHN C[C@H]1CN(C(=O)NC2CCN(CCc3ccccc3)CC2)CCCO1 ZINC000171301792 227002806 /nfs/dbraw/zinc/00/28/06/227002806.db2.gz VXYDMKBZPKRSCB-KRWDZBQOSA-N 0 3 345.487 2.514 40 0 EFABHN CN1CCC(NC(=O)NCCc2ccccc2OC(F)(F)F)CC1 ZINC000123052340 222207710 /nfs/dbraw/zinc/20/77/10/222207710.db2.gz NSMZRNZBZIJULV-UHFFFAOYSA-N 0 3 345.365 2.521 40 0 EFABHN Cc1cc(Cl)ccc1OCCCN[C@@H]1CCCS(=O)(=O)C1 ZINC000097230743 272998800 /nfs/dbraw/zinc/99/88/00/272998800.db2.gz UQHTZLCAWPDXFW-CQSZACIVSA-N 0 3 331.865 2.584 40 0 EFABHN COc1cccc(Cl)c1CN[C@H](C)C1CCS(=O)(=O)CC1 ZINC000276753621 267043354 /nfs/dbraw/zinc/04/33/54/267043354.db2.gz IBAJMEGQFMPFLB-LLVKDONJSA-N 0 3 331.865 2.652 40 0 EFABHN O=C1[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]2CCN1Cc1cccnc1 ZINC000096054636 275030965 /nfs/dbraw/zinc/03/09/65/275030965.db2.gz VAHZHPIQHXPKQI-HKUYNNGSSA-N 0 3 339.414 2.701 40 0 EFABHN O[C@@H](CN1CCCCC1)c1ccc(I)cc1 ZINC000001667004 275050893 /nfs/dbraw/zinc/05/08/93/275050893.db2.gz AUMJBIPLLCCDSA-ZDUSSCGKSA-N 0 3 331.197 2.811 40 0 EFABHN CCN1CCC2(CC1)C[C@H](NC(=O)[C@H]1CCCO1)c1ccccc1O2 ZINC000096242703 279262874 /nfs/dbraw/zinc/26/28/74/279262874.db2.gz OXJWOULPFWAEFB-FUHWJXTLSA-N 0 3 344.455 2.660 40 0 EFABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)n1 ZINC000257226727 280539368 /nfs/dbraw/zinc/53/93/68/280539368.db2.gz FLWDPDHWNJNTBD-IBGZPJMESA-N 0 3 337.423 2.675 40 0 EFABHN CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000222728035 289860706 /nfs/dbraw/zinc/86/07/06/289860706.db2.gz FFZLJAYGOGLDAP-SJORKVTESA-N 0 3 335.436 2.870 40 0 EFABHN CCS(=O)(=O)C[C@@H](C)N[C@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000097230730 323214003 /nfs/dbraw/zinc/21/40/03/323214003.db2.gz XUJUSWYKPOFPKS-ZBFHGGJFSA-N 0 3 342.480 2.516 40 0 EFABHN CNC(=O)Cc1nc(CN[C@@H]2CCC[C@H]2c2ccccc2)cs1 ZINC000133470720 323219531 /nfs/dbraw/zinc/21/95/31/323219531.db2.gz XOZVDVREVKNUHQ-JKSUJKDBSA-N 0 3 329.469 2.858 40 0 EFABHN Cc1cc(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)n(C)n1 ZINC000163473312 323222858 /nfs/dbraw/zinc/22/28/58/323222858.db2.gz RAXAEWBKAWZNIO-IBGZPJMESA-N 0 3 326.444 2.513 40 0 EFABHN CN(C)C(=O)[C@H]1CC[C@@H](CNC2c3ccccc3-c3ccccc32)O1 ZINC000183925309 323351472 /nfs/dbraw/zinc/35/14/72/323351472.db2.gz KNURNTONXDISPG-IFXJQAMLSA-N 0 3 336.435 2.982 40 0 EFABHN C[C@H](CN[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(Cl)c1 ZINC000187975318 323429074 /nfs/dbraw/zinc/42/90/74/323429074.db2.gz ICYOFGPLAUHLOG-WBMJQRKESA-N 0 3 332.835 2.572 40 0 EFABHN COc1ccc(-c2nc([C@H](N)c3ccc(F)cc3)n[nH]2)cc1OC ZINC000095533314 473222303 /nfs/dbraw/zinc/22/23/03/473222303.db2.gz KAFNIUKIBARMCN-OAHLLOKOSA-N 0 3 328.347 2.676 40 0 EFABHN COc1ccc([C@H](N)c2n[nH]c(-c3ccc(OC)c(OC)c3)n2)cc1 ZINC000095533722 473222611 /nfs/dbraw/zinc/22/26/11/473222611.db2.gz MDHOJRIWJFBMSV-INIZCTEOSA-N 0 3 340.383 2.546 40 0 EFABHN CC[C@@H]1N(Cc2cnn(C)c2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC000096038510 473258454 /nfs/dbraw/zinc/25/84/54/473258454.db2.gz YBZGDANMNKEBFT-HKUYNNGSSA-N 0 3 330.476 2.566 40 0 EFABHN O=C(NC1CCCC1)[C@@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21 ZINC000096038882 473259086 /nfs/dbraw/zinc/25/90/86/473259086.db2.gz ILVCACFSCJQBHM-GVDBMIGSSA-N 0 3 334.485 2.644 40 0 EFABHN CCN1CCn2c(C)cnc2C12CCN(Cc1ccc(C)o1)CC2 ZINC000096037057 473259148 /nfs/dbraw/zinc/25/91/48/473259148.db2.gz AQONSXPTQLQJMM-UHFFFAOYSA-N 0 3 328.460 2.920 40 0 EFABHN Cc1ccc(CN2C[C@@H](C(=O)NCC3CC3)C[C@H]3OCC[C@H]32)cc1 ZINC000096041206 473262301 /nfs/dbraw/zinc/26/23/01/473262301.db2.gz FMLBVXOTFPZJFV-IPMKNSEASA-N 0 3 328.456 2.501 40 0 EFABHN CN(Cc1ccccn1)[C@@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096048043 473269524 /nfs/dbraw/zinc/26/95/24/473269524.db2.gz HLVGCWYRHODOAV-SFHVURJKSA-N 0 3 341.455 2.930 40 0 EFABHN Cn1cc(CN2CCC3(C[C@@H](OCc4ccccc4)CO3)CC2)cn1 ZINC000096047851 473269695 /nfs/dbraw/zinc/26/96/95/473269695.db2.gz CTHFLGWPHQYIPB-LJQANCHMSA-N 0 3 341.455 2.760 40 0 EFABHN O=C(c1cccnc1)N1CCC[C@]2(CCN(Cc3ccncc3)C2)C1 ZINC000096047051 473269973 /nfs/dbraw/zinc/26/99/73/473269973.db2.gz SUZAUJYHXFGXDB-HXUWFJFHSA-N 0 3 336.439 2.605 40 0 EFABHN Cc1ccc(CN2CCC3(C2)CCN(C(=O)c2cnccn2)CC3)o1 ZINC000096046672 473270006 /nfs/dbraw/zinc/27/00/06/473270006.db2.gz AYTUNTQXZIUGBY-UHFFFAOYSA-N 0 3 340.427 2.506 40 0 EFABHN Cc1ccc(CN2CCC3(C[C@H](CC(=O)N4CCCC4)CO3)CC2)o1 ZINC000096048172 473270963 /nfs/dbraw/zinc/27/09/63/473270963.db2.gz JVDSJSRNWQILQD-KRWDZBQOSA-N 0 3 346.471 2.972 40 0 EFABHN Cc1ccc(C(=O)N2C[C@H]3CN(Cc4cccc(F)c4)C[C@@H]3C2)o1 ZINC000096053895 473275177 /nfs/dbraw/zinc/27/51/77/473275177.db2.gz SCLLUZLHCYEOKB-HZPDHXFCSA-N 0 3 328.387 2.931 40 0 EFABHN Cc1ccc(CN2CC[C@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)o1 ZINC000096050906 473273826 /nfs/dbraw/zinc/27/38/26/473273826.db2.gz JLUOZIJIANMXDK-SFHVURJKSA-N 0 3 345.468 2.978 40 0 EFABHN c1cncc(CN2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096049560 473274410 /nfs/dbraw/zinc/27/44/10/473274410.db2.gz XMTBGZPBESEEDN-FQEVSTJZSA-N 0 3 338.455 2.596 40 0 EFABHN O=C1N(Cc2cccc(F)c2)CC[C@]12CCN(Cc1cccnc1)C2 ZINC000096050629 473274537 /nfs/dbraw/zinc/27/45/37/473274537.db2.gz PEFDQEFNZAIBEE-FQEVSTJZSA-N 0 3 339.414 2.845 40 0 EFABHN O=C(c1cscn1)N1CC[C@@H]2CN(Cc3ccsc3)C[C@@H]2C1 ZINC000096054140 473279092 /nfs/dbraw/zinc/27/90/92/473279092.db2.gz KDMJXAAEDREHOD-ZIAGYGMSSA-N 0 3 333.482 2.799 40 0 EFABHN O=C1NC2(C[C@H]1c1cccnc1)CCN(Cc1cccs1)CC2 ZINC000096061372 473285175 /nfs/dbraw/zinc/28/51/75/473285175.db2.gz OOWKTASHZCIMQO-INIZCTEOSA-N 0 3 327.453 2.781 40 0 EFABHN c1csc(CN2CCO[C@H]3[C@H](OCCN4CCCC4)CC[C@@H]32)c1 ZINC000096057920 473280511 /nfs/dbraw/zinc/28/05/11/473280511.db2.gz HLCOROORYALAEV-RCCFBDPRSA-N 0 3 336.501 2.592 40 0 EFABHN O=C(NCC1CC1)[C@@H]1CCO[C@@H]2CCN(Cc3cccs3)C[C@H]21 ZINC000096058254 473280757 /nfs/dbraw/zinc/28/07/57/473280757.db2.gz NPPHQYPHSFZCLT-IXDOHACOSA-N 0 3 334.485 2.501 40 0 EFABHN Cc1ccc(CN2CCc3ncnc([C@@H]4CCOC4)c3CC2)s1 ZINC000096058639 473283008 /nfs/dbraw/zinc/28/30/08/473283008.db2.gz LZPJGVYOJOYGLH-CQSZACIVSA-N 0 3 329.469 2.951 40 0 EFABHN COc1ccc(CN2CCc3ncnc([C@H]4CCOC4)c3CC2)cc1 ZINC000096058648 473283456 /nfs/dbraw/zinc/28/34/56/473283456.db2.gz UTAIDLCJUBJTBY-INIZCTEOSA-N 0 3 339.439 2.590 40 0 EFABHN Fc1ccc(CN2CCc3ncnc([C@@H]4CCOC4)c3CC2)cc1 ZINC000096058645 473283689 /nfs/dbraw/zinc/28/36/89/473283689.db2.gz VVCAVEACOUPCTC-OAHLLOKOSA-N 0 3 327.403 2.720 40 0 EFABHN c1ccc2c(c1)[C@@H]1CN(Cc3ccncc3)C[C@@H]1[C@H]2N1CCOCC1 ZINC000096058348 473283841 /nfs/dbraw/zinc/28/38/41/473283841.db2.gz FSMXWUVGIIWRHB-ACRUOGEOSA-N 0 3 335.451 2.684 40 0 EFABHN CCn1cc2c(n1)[C@@H](COCC1CC1)CN(CC1CCOCC1)C2 ZINC000096059953 473284194 /nfs/dbraw/zinc/28/41/94/473284194.db2.gz IPTGXWSECPHGNP-GOSISDBHSA-N 0 3 333.476 2.655 40 0 EFABHN Cc1ccc(CN2CC[C@]3(CC[C@H](C(=O)NCC4CC4)O3)[C@@H](C)C2)o1 ZINC000096061286 473284862 /nfs/dbraw/zinc/28/48/62/473284862.db2.gz ICPDFRMVVKDAHA-BOUXLOLZSA-N 0 3 346.471 2.874 40 0 EFABHN c1cc(CNC[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)cs1 ZINC000096061075 473285637 /nfs/dbraw/zinc/28/56/37/473285637.db2.gz ROIQOXJXJLCVEI-OAHLLOKOSA-N 0 3 326.425 2.695 40 0 EFABHN Cn1cnc(C(=O)N2CCC[C@@]23CCCN(Cc2ccccc2)C3)c1 ZINC000096071384 473289637 /nfs/dbraw/zinc/28/96/37/473289637.db2.gz JBPRACVMAXKYGQ-HXUWFJFHSA-N 0 3 338.455 2.691 40 0 EFABHN Fc1ccc(CNC[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)cc1 ZINC000096061085 473285376 /nfs/dbraw/zinc/28/53/76/473285376.db2.gz GYDQHCFSSZNLFC-QGZVFWFLSA-N 0 3 338.386 2.773 40 0 EFABHN CCN1CCC2(CC1)C[C@@H](NCc1cncn1C)c1ccccc1O2 ZINC000096079755 473291018 /nfs/dbraw/zinc/29/10/18/473291018.db2.gz LJNAWVXYPWOKLI-GOSISDBHSA-N 0 3 340.471 2.888 40 0 EFABHN COC[C@H]1CN(CC2CC2)C(=O)[C@@H]2CCN(Cc3ccoc3)CC[C@H]12 ZINC000096089012 473293847 /nfs/dbraw/zinc/29/38/47/473293847.db2.gz ZKYXIYKIXFZBNO-GUDVDZBRSA-N 0 3 346.471 2.623 40 0 EFABHN Cn1cc(CN2CCC3(C[C@@H](OCC4CCCC4)CO3)CC2)cn1 ZINC000096106667 473298537 /nfs/dbraw/zinc/29/85/37/473298537.db2.gz ZKGSFRHLVCKPPD-GOSISDBHSA-N 0 3 333.476 2.750 40 0 EFABHN Cc1nc(CN2CCO[C@@H]3CN(Cc4cccs4)C[C@@H]3C2)cs1 ZINC000096108137 473300057 /nfs/dbraw/zinc/30/00/57/473300057.db2.gz AFWDPCZABPOWMA-WMLDXEAASA-N 0 3 349.525 2.846 40 0 EFABHN Fc1cccc(CN2C[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096108126 473300140 /nfs/dbraw/zinc/30/01/40/473300140.db2.gz UFYNTMMGWPCTLF-AZUAARDMSA-N 0 3 341.430 2.554 40 0 EFABHN Cc1nc(COC[C@]23COC[C@H]2CN(Cc2ccco2)C3)cs1 ZINC000096108904 473301281 /nfs/dbraw/zinc/30/12/81/473301281.db2.gz NLPAZFRUNSQPIV-PBHICJAKSA-N 0 3 334.441 2.710 40 0 EFABHN COc1ccccc1CN1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC000096108846 473301542 /nfs/dbraw/zinc/30/15/42/473301542.db2.gz VQHXSOCFLNNOAD-XLIONFOSSA-N 0 3 340.423 2.618 40 0 EFABHN c1cc(CN2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)cs1 ZINC000096108986 473301891 /nfs/dbraw/zinc/30/18/91/473301891.db2.gz LPUQKEVFZCGGGM-AEFFLSMTSA-N 0 3 330.453 2.808 40 0 EFABHN CO[C@@H]1CCN(Cc2cccs2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096108586 473302397 /nfs/dbraw/zinc/30/23/97/473302397.db2.gz SWNHRRTYWNZJDG-IPMKNSEASA-N 0 3 343.496 2.864 40 0 EFABHN CN(Cc1ccco1)C1CC2(C1)CCN(C(=O)c1cnccn1)CC2 ZINC000096159257 473319889 /nfs/dbraw/zinc/31/98/89/473319889.db2.gz CYDOSCOIWMOTOK-UHFFFAOYSA-N 0 3 340.427 2.586 40 0 EFABHN COCCC(=O)N1CCC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000096157594 473316290 /nfs/dbraw/zinc/31/62/90/473316290.db2.gz KDAZPOAKQPHFIU-UHFFFAOYSA-N 0 3 334.435 2.677 40 0 EFABHN CN(Cc1cccs1)[C@H]1COC2(C1)CCN(c1ncccn1)CC2 ZINC000096158713 473317716 /nfs/dbraw/zinc/31/77/16/473317716.db2.gz RWTLZMRBEPHMGV-OAHLLOKOSA-N 0 3 344.484 2.798 40 0 EFABHN Cn1cccc1CN1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC000096158826 473317991 /nfs/dbraw/zinc/31/79/91/473317991.db2.gz FKDMOQUEOURREY-UHFFFAOYSA-N 0 3 345.512 2.954 40 0 EFABHN CN(Cc1cccnc1)C[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@@H]12 ZINC000096185364 473327399 /nfs/dbraw/zinc/32/73/99/473327399.db2.gz IQMPOSXLOQZEDD-AQNXPRMDSA-N 0 3 341.455 2.644 40 0 EFABHN Cc1ccc(CN[C@H]2CCc3c(ccc(=O)n3Cc3ccncc3)C2)o1 ZINC000096196613 473332719 /nfs/dbraw/zinc/33/27/19/473332719.db2.gz BTFKYNODWDCFQD-SFHVURJKSA-N 0 3 349.434 2.840 40 0 EFABHN Cc1cccc(CN2CCc3ncc(CN4CCCCC4)n3CC2)n1 ZINC000096196888 473332929 /nfs/dbraw/zinc/33/29/29/473332929.db2.gz TUCKUGJVENOWPT-UHFFFAOYSA-N 0 3 339.487 2.631 40 0 EFABHN Cc1ccc(CN[C@H]2CCc3c(ccc(=O)n3Cc3cccnc3)C2)o1 ZINC000096196589 473332962 /nfs/dbraw/zinc/33/29/62/473332962.db2.gz LQIVSCBADAMRHV-SFHVURJKSA-N 0 3 349.434 2.840 40 0 EFABHN CCO[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H]1Cc1cnn(C)c1 ZINC000096200624 473335351 /nfs/dbraw/zinc/33/53/51/473335351.db2.gz RNDKPKFWBDCRBC-RTBURBONSA-N 0 3 329.444 2.651 40 0 EFABHN O=C1COC2(CCN(Cc3cccs3)CC2)CN1c1cccnc1 ZINC000096201433 473339023 /nfs/dbraw/zinc/33/90/23/473339023.db2.gz HOBIEEMLYDKZCD-UHFFFAOYSA-N 0 3 343.452 2.541 40 0 EFABHN c1csc(CN2CC[C@]3(C2)COCCN(Cc2nccs2)C3)c1 ZINC000096202173 473337231 /nfs/dbraw/zinc/33/72/31/473337231.db2.gz CJDHKKPXXYWLED-QGZVFWFLSA-N 0 3 349.525 2.929 40 0 EFABHN O=C(C[C@@H]1CNCCO1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000150733900 473342818 /nfs/dbraw/zinc/34/28/18/473342818.db2.gz YNIJSHOWINIBGF-MJGOQNOKSA-N 0 3 344.842 2.924 40 0 EFABHN Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[C@H](CN(C)C)O3)cc1F ZINC000096209253 473344988 /nfs/dbraw/zinc/34/49/88/473344988.db2.gz YKGIYXJVFDIGJI-VQIMIIECSA-N 0 3 334.435 2.850 40 0 EFABHN CCc1ccc(CN2CC[C@]3(C2)C[C@@H](N2CCCC2=O)CCO3)cc1 ZINC000096208705 473345232 /nfs/dbraw/zinc/34/52/32/473345232.db2.gz XTBLJWUUMIFMSJ-PZJWPPBQSA-N 0 3 342.483 2.995 40 0 EFABHN c1ccc(NCC[C@@]23CCO[C@@H]2CCN(Cc2ccncc2)C3)nc1 ZINC000096208633 473345301 /nfs/dbraw/zinc/34/53/01/473345301.db2.gz HJAHTZXFOFZKAE-QUCCMNQESA-N 0 3 338.455 2.960 40 0 EFABHN Cc1ccsc1CN1CC[C@H]2OCC[C@@]2(CCNC(=O)C2CC2)C1 ZINC000096208333 473345414 /nfs/dbraw/zinc/34/54/14/473345414.db2.gz RSEHEDHZXGNBHC-MJGOQNOKSA-N 0 3 348.512 2.954 40 0 EFABHN Fc1ccccc1CN1CC[C@@]2(C1)CCC[C@@H](CN1CCOCC1)O2 ZINC000096214940 473346894 /nfs/dbraw/zinc/34/68/94/473346894.db2.gz NHKQOPYACDJXRH-AZUAARDMSA-N 0 3 348.462 2.672 40 0 EFABHN O=C([C@@H]1CCC2(CCN(Cc3ccccc3F)CC2)O1)N1CCCO1 ZINC000096216618 473350572 /nfs/dbraw/zinc/35/05/72/473350572.db2.gz FHFCIDQLSJEOIQ-KRWDZBQOSA-N 0 3 348.418 2.503 40 0 EFABHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(Cc4cccs4)C3)O2)CC1 ZINC000096218954 473352303 /nfs/dbraw/zinc/35/23/03/473352303.db2.gz RRBDUIABYFMICP-PKOBYXMFSA-N 0 3 349.544 2.509 40 0 EFABHN Cc1noc(C)c1CN1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC000096221691 473352995 /nfs/dbraw/zinc/35/29/95/473352995.db2.gz CKPDRHQWNJNKTI-QGZVFWFLSA-N 0 3 343.427 2.889 40 0 EFABHN Cc1ccccc1C(=O)N1CCC2(CC1)COCCN2CC1CC1 ZINC000096226183 473357338 /nfs/dbraw/zinc/35/73/38/473357338.db2.gz ACUOSTRYLNWEML-UHFFFAOYSA-N 0 3 328.456 2.712 40 0 EFABHN O=C(Cc1ccsc1)N1CCC[C@@]2(C1)COCCN(CC1CC1)C2 ZINC000096228807 473358441 /nfs/dbraw/zinc/35/84/41/473358441.db2.gz RQVVAZQGUQZZEC-LJQANCHMSA-N 0 3 348.512 2.642 40 0 EFABHN c1ccc(CN2CCC[C@]3(C2)COCCN(c2cnccn2)C3)cc1 ZINC000096229152 473358805 /nfs/dbraw/zinc/35/88/05/473358805.db2.gz KQWHWRTVAMZIKZ-HXUWFJFHSA-N 0 3 338.455 2.596 40 0 EFABHN O=C(c1ccc(F)cc1)N1CCC[C@]2(C1)COCCN(CC1CC1)C2 ZINC000096228816 473359714 /nfs/dbraw/zinc/35/97/14/473359714.db2.gz GKBHLEQJIIVECJ-FQEVSTJZSA-N 0 3 346.446 2.790 40 0 EFABHN Cc1nc(CN2C[C@]3(CCN(Cc4ccco4)C3)CC2=O)cs1 ZINC000096239362 473361235 /nfs/dbraw/zinc/36/12/35/473361235.db2.gz YIUCWUDKKJMTEH-QGZVFWFLSA-N 0 3 331.441 2.669 40 0 EFABHN Cn1cc(-c2ncnc3c2CCN(Cc2ccsc2)CC3)cn1 ZINC000096255188 473367047 /nfs/dbraw/zinc/36/70/47/473367047.db2.gz SNVZHYQLVFXWAI-UHFFFAOYSA-N 0 3 325.441 2.539 40 0 EFABHN Cc1nc(CN2CCO[C@@H]3CCN(Cc4ccoc4)CC[C@@H]32)cs1 ZINC000096249400 473365509 /nfs/dbraw/zinc/36/55/09/473365509.db2.gz AQIJKKNHIMJDJT-ZWKOTPCHSA-N 0 3 347.484 2.910 40 0 EFABHN CCC1=N[C@@]2(CC[C@@H]3CN(Cc4ccc(F)cc4)C[C@@H]32)C(=O)N1C ZINC000096261575 473369758 /nfs/dbraw/zinc/36/97/58/473369758.db2.gz XUOHONRZROLTKM-SIXWZSSISA-N 0 3 329.419 2.687 40 0 EFABHN CC(=O)N1CCN(c2ccccc2CNCc2ccc(F)cc2)CC1 ZINC000096402789 473379246 /nfs/dbraw/zinc/37/92/46/473379246.db2.gz AJJZWESGONFSHO-UHFFFAOYSA-N 0 3 341.430 2.784 40 0 EFABHN Cc1ccc(N2C(=O)C[C@H](NCCc3ccc(F)cc3)C2=O)cc1 ZINC000000084266 471320977 /nfs/dbraw/zinc/32/09/77/471320977.db2.gz TXICQISKVQKXHM-KRWDZBQOSA-N 0 3 326.371 2.598 40 0 EFABHN O=C(c1ccccc1)c1ccc(OC[C@@H](O)CN2CCCC2)cc1 ZINC000000811860 471376204 /nfs/dbraw/zinc/37/62/04/471376204.db2.gz WVDOYECEGDNFGF-SFHVURJKSA-N 0 3 325.408 2.753 40 0 EFABHN CCOCCOc1ccccc1[C@H](Cc1ccccc1)NCCO ZINC000001666332 471394440 /nfs/dbraw/zinc/39/44/40/471394440.db2.gz SHTOTXRMVUPPEF-IBGZPJMESA-N 0 3 329.440 2.968 40 0 EFABHN CN1CCC2(CC1)C(=O)N(Nc1ccccc1)C(=O)[C@@H]2c1ccccc1 ZINC000001702257 471395936 /nfs/dbraw/zinc/39/59/36/471395936.db2.gz GQAIJEWIJRRXHS-SFHVURJKSA-N 0 3 349.434 2.878 40 0 EFABHN OCCN(Cc1ccccc1)C[C@@H](O)COc1ccccc1Cl ZINC000006495900 471547440 /nfs/dbraw/zinc/54/74/40/471547440.db2.gz CGMKQAKELINUJV-MRXNPFEDSA-N 0 3 335.831 2.574 40 0 EFABHN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1C[C@@H](C)C[C@H](C)C1 ZINC000007224761 471599456 /nfs/dbraw/zinc/59/94/56/471599456.db2.gz YRSCEPYBHFNSHI-ULQDDVLXSA-N 0 3 345.487 2.828 40 0 EFABHN CCOc1cc(CNC(C)(C)CO)cc(Br)c1OC ZINC000008253575 471675210 /nfs/dbraw/zinc/67/52/10/471675210.db2.gz MMKBIBHFRYSEDD-UHFFFAOYSA-N 0 3 332.238 2.717 40 0 EFABHN C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008266798 471676539 /nfs/dbraw/zinc/67/65/39/471676539.db2.gz KNUMYPWPQPYLBT-OFQRWUPVSA-N 0 3 329.444 2.625 40 0 EFABHN CCOc1cc(CN[C@H](CC)CO)cc(Br)c1OC ZINC000008327002 471681044 /nfs/dbraw/zinc/68/10/44/471681044.db2.gz LOIHJAMYBYAOEQ-LLVKDONJSA-N 0 3 332.238 2.717 40 0 EFABHN CC[C@H](CN1CCCC1)NC(=O)C1(c2ccccc2)CCOCC1 ZINC000012362884 471773934 /nfs/dbraw/zinc/77/39/34/471773934.db2.gz YQFBOGJZTBYQPM-GOSISDBHSA-N 0 3 330.472 2.725 40 0 EFABHN CCOC(=O)C1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1 ZINC000013676882 471837625 /nfs/dbraw/zinc/83/76/25/471837625.db2.gz SVGBAAQBEMDCJO-UHFFFAOYSA-N 0 3 344.455 2.698 40 0 EFABHN CC(C)/C=C\[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000017249792 471959089 /nfs/dbraw/zinc/95/90/89/471959089.db2.gz LFEGCLWKAFYJIE-POQYLXETSA-N 0 3 329.440 2.724 40 0 EFABHN Cc1cccc(CN2C[C@H]3CCc4nnc(-c5ccncc5)n4[C@H]3C2)n1 ZINC000019236339 471978623 /nfs/dbraw/zinc/97/86/23/471978623.db2.gz QVYXXUVPMZAIRF-AEFFLSMTSA-N 0 3 346.438 2.663 40 0 EFABHN C[C@@H](Cc1ccccn1)N(C)Cc1cnc(N2CCCCC2)nc1 ZINC000019456966 471979928 /nfs/dbraw/zinc/97/99/28/471979928.db2.gz JSTJPAHZTPPKFI-INIZCTEOSA-N 0 3 325.460 2.925 40 0 EFABHN c1ccc([C@H]2CCCN(Cc3cnc(N4CCOCC4)nc3)C2)cc1 ZINC000019369963 471980098 /nfs/dbraw/zinc/98/00/98/471980098.db2.gz VDAIANPEOGZTFZ-IBGZPJMESA-N 0 3 338.455 2.693 40 0 EFABHN CNCc1cc(NC)nc([C@@H]2CCCN2Cc2ccccc2C)n1 ZINC000019760617 471984335 /nfs/dbraw/zinc/98/43/35/471984335.db2.gz HLNIEHCTRPBAMS-KRWDZBQOSA-N 0 3 325.460 2.883 40 0 EFABHN CN1CC[C@@H]2[C@H]1CCCCN2C(=O)c1n[nH]c2c1CCCCCC2 ZINC000019712547 471985188 /nfs/dbraw/zinc/98/51/88/471985188.db2.gz WOQASBCZRBTGPN-IAGOWNOFSA-N 0 3 330.476 2.768 40 0 EFABHN CC=C1CN[C@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@@H]1[C@@H]2C(=O)OC ZINC000033849103 471986578 /nfs/dbraw/zinc/98/65/78/471986578.db2.gz NKTORRNHKYVXSU-XXMLWKDOSA-N 0 3 338.407 2.620 40 0 EFABHN C/C=C1/CN2CC[C@]34c5cc(O)ccc5NC3=C(C(=O)OC)[C@H]1C[C@H]24 ZINC000053275900 471992047 /nfs/dbraw/zinc/99/20/47/471992047.db2.gz BVYFBTHLXBZJTR-ZQUMFQRDSA-N 0 3 338.407 2.537 40 0 EFABHN COc1ccc(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1 ZINC000025313804 472090384 /nfs/dbraw/zinc/09/03/84/472090384.db2.gz FSUAYQZRORTJRY-QGZVFWFLSA-N 0 3 327.428 2.990 40 0 EFABHN Cc1nnc([C@H](NC(=O)Nc2cccc(CN(C)C)c2)C(C)C)[nH]1 ZINC000085357181 472237264 /nfs/dbraw/zinc/23/72/64/472237264.db2.gz OYSFZLGLJNGLCF-OAHLLOKOSA-N 0 3 330.436 2.694 40 0 EFABHN C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC000085457821 472250581 /nfs/dbraw/zinc/25/05/81/472250581.db2.gz OORQTFXGOOOKQX-SOLBZPMBSA-N 0 3 346.471 2.558 40 0 EFABHN CN(C)C[C@@H]1CSCCCN1C(=O)c1ccc2ncsc2c1 ZINC000085473128 472253096 /nfs/dbraw/zinc/25/30/96/472253096.db2.gz JQBZMIGRCXTLDD-CYBMUJFWSA-N 0 3 335.498 2.806 40 0 EFABHN CCn1nc(C)cc1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000076388909 472336633 /nfs/dbraw/zinc/33/66/33/472336633.db2.gz GLBNDSQBTKFOAO-QGZVFWFLSA-N 0 3 340.471 2.948 40 0 EFABHN Cn1cc(/C=C/C(=O)NCc2ccccc2CN2CCCCC2)cn1 ZINC000031524784 472381214 /nfs/dbraw/zinc/38/12/14/472381214.db2.gz BQLYOCNGEVXHLD-MDZDMXLPSA-N 0 3 338.455 2.736 40 0 EFABHN O=C(CCN1CCN(CCc2ccccc2)CC1)NC1CCCCC1 ZINC000032870932 472475510 /nfs/dbraw/zinc/47/55/10/472475510.db2.gz ABBWBVGEDZULFF-UHFFFAOYSA-N 0 3 343.515 2.686 40 0 EFABHN CC[C@@H]1C[C@@H](C(=O)N2CCC[C@H](NCc3ccccc3)C2)CCO1 ZINC000097236258 472486323 /nfs/dbraw/zinc/48/63/23/472486323.db2.gz FYBWMCVRSYFLOX-GBESFXJTSA-N 0 3 330.472 2.972 40 0 EFABHN CN(C(=O)c1cccc(O)c1)C1CCN(CCc2ccncc2)CC1 ZINC000097236545 472486603 /nfs/dbraw/zinc/48/66/03/472486603.db2.gz ZEWUANXBTKAQEK-UHFFFAOYSA-N 0 3 339.439 2.566 40 0 EFABHN CN(CCc1nnc(N)s1)Cc1cc(Br)cs1 ZINC000097373520 472493855 /nfs/dbraw/zinc/49/38/55/472493855.db2.gz ACBVXHOPCIAMGS-UHFFFAOYSA-N 0 3 333.280 2.619 40 0 EFABHN CN(C[C@H]1CCN(C)C1)C(=O)c1ccc(Br)c(F)c1 ZINC000071190461 472544600 /nfs/dbraw/zinc/54/46/00/472544600.db2.gz KHFSWFDYLMPZRV-JTQLQIEISA-N 0 3 329.213 2.612 40 0 EFABHN COc1ccc(CCC(=O)N2CCCSC[C@H]2CN(C)C)cc1 ZINC000090700042 472653165 /nfs/dbraw/zinc/65/31/65/472653165.db2.gz DSMYPDOQSYNKIC-MRXNPFEDSA-N 0 3 336.501 2.524 40 0 EFABHN CN(C)C[C@H]1CSCCCN1C(=O)CSc1ccc(F)cc1 ZINC000090700097 472653217 /nfs/dbraw/zinc/65/32/17/472653217.db2.gz FUPJTLPHIHTGPU-AWEZNQCLSA-N 0 3 342.505 2.814 40 0 EFABHN CN(C)C[C@H]1CSCCCN1C(=O)Cc1ccccc1Cl ZINC000090700077 472653734 /nfs/dbraw/zinc/65/37/34/472653734.db2.gz NOSAJZSBVNTMRT-AWEZNQCLSA-N 0 3 326.893 2.778 40 0 EFABHN CC[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[C@@H]1CCCO1 ZINC000090859041 472661223 /nfs/dbraw/zinc/66/12/23/472661223.db2.gz WMRGCRJMFHHSRZ-CQDKDKBSSA-N 0 3 329.437 2.837 40 0 EFABHN O=c1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393096 472662848 /nfs/dbraw/zinc/66/28/48/472662848.db2.gz RSAXUCTYHLKSNZ-INIZCTEOSA-N 0 3 347.422 2.607 40 0 EFABHN O=c1cc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393096 472662856 /nfs/dbraw/zinc/66/28/56/472662856.db2.gz RSAXUCTYHLKSNZ-INIZCTEOSA-N 0 3 347.422 2.607 40 0 EFABHN CCc1nccn1-c1cncc([C@@H]2CCCN2C2CCOCC2)n1 ZINC000072355620 472663402 /nfs/dbraw/zinc/66/34/02/472663402.db2.gz VBBVEEKXZQIWBY-INIZCTEOSA-N 0 3 327.432 2.541 40 0 EFABHN O=c1cc(CN2CCC[C@@H]2C[C@H](O)c2ccccc2)nc2ccccn12 ZINC000072867382 472731186 /nfs/dbraw/zinc/73/11/86/472731186.db2.gz VEOCNSWWVMSCTL-MOPGFXCFSA-N 0 3 349.434 2.783 40 0 EFABHN COC(=O)c1c(NC(=O)[C@@H]2CCCN(C)C2)sc2c1CCCC2 ZINC000078578536 472736865 /nfs/dbraw/zinc/73/68/65/472736865.db2.gz XMUDQGQWAITROE-LLVKDONJSA-N 0 3 336.457 2.694 40 0 EFABHN COC(=O)c1cccc(NC(=O)NCCN2C[C@H](C)C[C@@H](C)C2)c1 ZINC000048326323 472857491 /nfs/dbraw/zinc/85/74/91/472857491.db2.gz ROLXWCJCGWNFIX-ZIAGYGMSSA-N 0 3 333.432 2.573 40 0 EFABHN COC(=O)c1cccc(NC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1 ZINC000048326314 472857769 /nfs/dbraw/zinc/85/77/69/472857769.db2.gz ORKKBJFDLPYQPL-KGLIPLIRSA-N 0 3 333.432 2.715 40 0 EFABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000073743039 472866569 /nfs/dbraw/zinc/86/65/69/472866569.db2.gz IOUWOMBISMTJLQ-LLVKDONJSA-N 0 3 344.242 2.532 40 0 EFABHN Fc1cnc(N[C@H]2CO[C@]3(C2)CCCN(Cc2ccccc2)C3)nc1 ZINC000107228713 472934844 /nfs/dbraw/zinc/93/48/44/472934844.db2.gz XJWCKTVSHCYCHU-MJGOQNOKSA-N 0 3 342.418 2.851 40 0 EFABHN Fc1ccc(CN2CC[C@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)cc1 ZINC000107226622 472935012 /nfs/dbraw/zinc/93/50/12/472935012.db2.gz FLEVCERPNJKUPS-AEFFLSMTSA-N 0 3 346.381 2.600 40 0 EFABHN Cc1cccc(CN2CC[C@@H]3[C@H](CC2)OCCN3c2cccnc2)n1 ZINC000107255223 472936439 /nfs/dbraw/zinc/93/64/39/472936439.db2.gz SVYFEFFWIBHZCO-UXHICEINSA-N 0 3 338.455 2.655 40 0 EFABHN COc1ccc(CN2C[C@@H]3[C@H](CC(=O)Nc4cccnc4)[C@@H]3C2)cc1 ZINC000107746016 472979300 /nfs/dbraw/zinc/97/93/00/472979300.db2.gz XXCBJADUKRDHQI-REPLKXPHSA-N 0 3 337.423 2.797 40 0 EFABHN Cc1cccnc1CN1CC[C@@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108532088 473035727 /nfs/dbraw/zinc/03/57/27/473035727.db2.gz LOQWFVZBCMTYCW-YJBOKZPZSA-N 0 3 349.425 2.860 40 0 EFABHN O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@@]12CCN(Cc1ccccn1)C2 ZINC000108531096 473035770 /nfs/dbraw/zinc/03/57/70/473035770.db2.gz BFHLDJFMYZFNKP-AEFFLSMTSA-N 0 3 349.425 2.988 40 0 EFABHN O=C([C@H]1CCC[C@]12CCN(Cc1ccncc1)C2)N1CCCCO1 ZINC000108530946 473036106 /nfs/dbraw/zinc/03/61/06/473036106.db2.gz MBKWECXOKPHPBI-IEBWSBKVSA-N 0 3 329.444 2.628 40 0 EFABHN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1C[C@H](C)C[C@H](C)C1 ZINC000108929071 473067037 /nfs/dbraw/zinc/06/70/37/473067037.db2.gz YRSCEPYBHFNSHI-IXDOHACOSA-N 0 3 345.487 2.828 40 0 EFABHN Cc1cc(C(=O)NC[C@@H](c2cn(C)c3ccccc23)N(C)C)no1 ZINC000075149127 473140378 /nfs/dbraw/zinc/14/03/78/473140378.db2.gz ZKMJPCHTMVGIMF-KRWDZBQOSA-N 0 3 326.400 2.507 40 0 EFABHN CN1CCC[C@H](CN[C@@H](C(N)=O)c2ccccc2)[C@H]1c1cccs1 ZINC000110636792 473167604 /nfs/dbraw/zinc/16/76/04/473167604.db2.gz MUAFWYMDBAZTJO-NXHRZFHOSA-N 0 3 343.496 2.947 40 0 EFABHN Cc1ccc2c(c1)OCCC[C@@H]2NC[C@H](c1cnn(C)c1)N(C)C ZINC000095422632 473201315 /nfs/dbraw/zinc/20/13/15/473201315.db2.gz LKGFPLKSJHXDAJ-ZWKOTPCHSA-N 0 3 328.460 2.835 40 0 EFABHN CN1CCC[C@@H](CNC(=O)c2ccc(F)c(COCC3CC3)c2)C1 ZINC000096430958 473409340 /nfs/dbraw/zinc/40/93/40/473409340.db2.gz LPRGMBQYWCYVBJ-HNNXBMFYSA-N 0 3 334.435 2.824 40 0 EFABHN Cc1noc(CCCNC(=O)c2oc3ccccc3c2CN(C)C)n1 ZINC000096436318 473416942 /nfs/dbraw/zinc/41/69/42/473416942.db2.gz NRDXOUFDSMTQFJ-UHFFFAOYSA-N 0 3 342.399 2.548 40 0 EFABHN CN(C)CCOc1ccccc1CNC(=O)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000096439579 473417521 /nfs/dbraw/zinc/41/75/21/473417521.db2.gz BPDRLEZDOSMEBC-ROUUACIJSA-N 0 3 343.471 2.735 40 0 EFABHN CCN1CCN(CCC(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000096440796 473419291 /nfs/dbraw/zinc/41/92/91/473419291.db2.gz FOSYGQLBEKXMCV-RTBURBONSA-N 0 3 347.478 2.606 40 0 EFABHN CSC[C@@H](C)C(=O)Nc1ccc(CCN2CCC(O)CC2)cc1 ZINC000096441318 473420546 /nfs/dbraw/zinc/42/05/46/473420546.db2.gz RCIDZIOFVMDWRS-CQSZACIVSA-N 0 3 336.501 2.623 40 0 EFABHN Cn1cc(CCC(=O)OC2CCN(Cc3ccsc3)CC2)cn1 ZINC000096442745 473421517 /nfs/dbraw/zinc/42/15/17/473421517.db2.gz WMYDGADIHURBMH-UHFFFAOYSA-N 0 3 333.457 2.622 40 0 EFABHN CC(C)OCCN1CCC(Nc2ncc(Br)cn2)CC1 ZINC000096447478 473426801 /nfs/dbraw/zinc/42/68/01/473426801.db2.gz QBTBHSQYEKBGIQ-UHFFFAOYSA-N 0 3 343.269 2.540 40 0 EFABHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccnc(F)c1 ZINC000096454425 473430160 /nfs/dbraw/zinc/43/01/60/473430160.db2.gz YCUIMVLIRQESNB-PBHICJAKSA-N 0 3 327.403 2.861 40 0 EFABHN CC(C)C[C@@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccccn1 ZINC000096476706 473439164 /nfs/dbraw/zinc/43/91/64/473439164.db2.gz IKFXIBVLIMSLOT-MOPGFXCFSA-N 0 3 349.544 2.966 40 0 EFABHN CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@H](N)Cc1ccccc1 ZINC000096481294 473440841 /nfs/dbraw/zinc/44/08/41/473440841.db2.gz MYYRBPSAVQCOHX-LLVKDONJSA-N 0 3 343.374 2.690 40 0 EFABHN Cc1ccc(NC(=O)C[C@H](C)NCCNC(=O)C(C)(C)C)c(C)c1 ZINC000096478747 473441497 /nfs/dbraw/zinc/44/14/97/473441497.db2.gz NZWFRDKMRWNLOL-HNNXBMFYSA-N 0 3 333.476 2.772 40 0 EFABHN Cc1csc(=O)n1CCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000096491309 473447911 /nfs/dbraw/zinc/44/79/11/473447911.db2.gz YXYBQAXCEYRCNN-AWEZNQCLSA-N 0 3 345.468 2.696 40 0 EFABHN C[C@H](NCCC(=O)N1CCOCC1)c1cc2cc(Cl)ccc2o1 ZINC000096493365 473449206 /nfs/dbraw/zinc/44/92/06/473449206.db2.gz NAAHUFJVSOFOOR-LBPRGKRZSA-N 0 3 336.819 2.986 40 0 EFABHN C[C@H]1CCC[C@@H]1NC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000096500862 473452402 /nfs/dbraw/zinc/45/24/02/473452402.db2.gz CPOZXWSTQPAXDA-IPELMVKDSA-N 0 3 345.487 2.631 40 0 EFABHN Cc1nc(N2CCCC2)ccc1NC(=O)N(CCN(C)C)C(C)C ZINC000096500849 473452796 /nfs/dbraw/zinc/45/27/96/473452796.db2.gz LTWJAXDOVBWIJG-UHFFFAOYSA-N 0 3 333.480 2.794 40 0 EFABHN C[C@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C[C@H]1O ZINC000165706746 473513600 /nfs/dbraw/zinc/51/36/00/473513600.db2.gz OWHOHVDBHFCILX-FUHWJXTLSA-N 0 3 330.472 2.518 40 0 EFABHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1ccc(Br)cc1F ZINC000127871075 473658977 /nfs/dbraw/zinc/65/89/77/473658977.db2.gz BFCNPGUVQKXLFW-KOLCDFICSA-N 0 3 339.212 2.845 40 0 EFABHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000194448382 473899791 /nfs/dbraw/zinc/89/97/91/473899791.db2.gz COWPMABXBYXKIK-GBESFXJTSA-N 0 3 327.472 2.950 40 0 EFABHN CN(Cc1cccnc1)C[C@@H]1CCN(Cc2nc(C(C)(C)C)no2)C1 ZINC000195278348 474046061 /nfs/dbraw/zinc/04/60/61/474046061.db2.gz HFVBVICJXSMWSQ-INIZCTEOSA-N 0 3 343.475 2.716 40 0 EFABHN COc1cc2c(cc1NC(=O)C[C@@H]1CNCCO1)oc1ccccc12 ZINC000195531122 474090165 /nfs/dbraw/zinc/09/01/65/474090165.db2.gz NCZUOORITXGXPF-GFCCVEGCSA-N 0 3 340.379 2.912 40 0 EFABHN COC(=O)[C@@H]1C[C@H](O)[C@@H](N2CCC(c3c[nH]c4ccccc43)CC2)C1 ZINC000195532684 474090663 /nfs/dbraw/zinc/09/06/63/474090663.db2.gz IZLZDGVKFWWMJM-JVPBZIDWSA-N 0 3 342.439 2.660 40 0 EFABHN CC[C@H](CN[C@@H]1CCCS(=O)(=O)C1)Oc1ccccc1Cl ZINC000195549846 474092776 /nfs/dbraw/zinc/09/27/76/474092776.db2.gz HJKMKTIOPNQAAW-CHWSQXEVSA-N 0 3 331.865 2.664 40 0 EFABHN OC[C@@H](CN[C@@H]1CCCOc2cc(F)ccc21)Cc1ccccn1 ZINC000195557676 474094075 /nfs/dbraw/zinc/09/40/75/474094075.db2.gz VBHFUSNAXDMQBH-RDTXWAMCSA-N 0 3 330.403 2.875 40 0 EFABHN CCN1CCN(C[C@@H](C)CNc2cncc(Br)c2)CC1 ZINC000195575056 474099143 /nfs/dbraw/zinc/09/91/43/474099143.db2.gz QGIGPZCZRHLEPW-ZDUSSCGKSA-N 0 3 341.297 2.530 40 0 EFABHN Cc1cccc(CNC(=O)NC2CCN(C)CC2)c1Br ZINC000188465030 474102676 /nfs/dbraw/zinc/10/26/76/474102676.db2.gz MEJGMQQXFKEYCP-UHFFFAOYSA-N 0 3 340.265 2.651 40 0 EFABHN COc1ccc(F)c(C(=O)N[C@@H](C)CN2CCCCCC2)c1OC ZINC000188674040 474161957 /nfs/dbraw/zinc/16/19/57/474161957.db2.gz WJPXRAJQDUJYMV-ZDUSSCGKSA-N 0 3 338.423 2.837 40 0 EFABHN COC(=O)c1cn(C(=O)C2COc3ccccc3O2)c2ccccc12 ZINC000222585914 474171748 /nfs/dbraw/zinc/17/17/48/474171748.db2.gz BSLVIQLNFWHPBG-QGZVFWFLSA-N 0 3 337.331 2.908 40 0 EFABHN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)[nH]1 ZINC000223255499 474181949 /nfs/dbraw/zinc/18/19/49/474181949.db2.gz AHCFLZCPLSPMNI-IRXDYDNUSA-N 0 3 343.500 2.561 40 0 EFABHN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)[nH]1 ZINC000223255394 474182636 /nfs/dbraw/zinc/18/26/36/474182636.db2.gz AHCFLZCPLSPMNI-SJORKVTESA-N 0 3 343.500 2.561 40 0 EFABHN COCCN1CCC(NC(=O)N2CCC=C(c3ccccc3)C2)CC1 ZINC000225459660 474213073 /nfs/dbraw/zinc/21/30/73/474213073.db2.gz VPDBGBJOWBAYRQ-UHFFFAOYSA-N 0 3 343.471 2.596 40 0 EFABHN O=C(CC1CC1)NCC[C@@H]1Cn2nccc2CN(C2CCCC2)C1 ZINC000247865262 474218224 /nfs/dbraw/zinc/21/82/24/474218224.db2.gz OLEDFUOXOGZVCW-INIZCTEOSA-N 0 3 330.476 2.564 40 0 EFABHN CCc1nc2ccccc2c(NCCOCCS(C)(=O)=O)c1C ZINC000225573799 474226534 /nfs/dbraw/zinc/22/65/34/474226534.db2.gz YOTWHFMCLXFXGK-UHFFFAOYSA-N 0 3 336.457 2.579 40 0 EFABHN CN1CC[C@@H](Nc2nccn3c2nnc3C2CC2)[C@@H]1c1ccccc1 ZINC000225599956 474228704 /nfs/dbraw/zinc/22/87/04/474228704.db2.gz PPAIESSKKICYPF-CVEARBPZSA-N 0 3 334.427 2.859 40 0 EFABHN CN(C)C[C@H]1CN(C(=O)c2cc3ccccc3s2)Cc2ccnn21 ZINC000248138477 474268197 /nfs/dbraw/zinc/26/81/97/474268197.db2.gz SNHLWKCAODEHPW-HNNXBMFYSA-N 0 3 340.452 2.857 40 0 EFABHN CN(Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC000248154684 474271566 /nfs/dbraw/zinc/27/15/66/474271566.db2.gz YUYIWESOKHMODH-YXJHDRRASA-N 0 3 327.428 2.980 40 0 EFABHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000248757264 474428272 /nfs/dbraw/zinc/42/82/72/474428272.db2.gz VJLVPKAVHYJZTB-KKBVYLPWSA-N 0 3 335.469 2.698 40 0 EFABHN Cn1ccc(CNC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000240894827 474551815 /nfs/dbraw/zinc/55/18/15/474551815.db2.gz IQFDQTQVCUKZAR-GUYCJALGSA-N 0 3 336.842 2.995 40 0 EFABHN C[C@@]1(CNC(=O)N[C@H]2CC[C@H](O)CC2)CCCN1Cc1ccccc1 ZINC000249289766 474552454 /nfs/dbraw/zinc/55/24/54/474552454.db2.gz VFGWUMDRYMDIQI-BJLQDIEVSA-N 0 3 345.487 2.644 40 0 EFABHN C[C@@H]1CCc2nc(NC(=O)C3=CC4C=CC=C[C@H]4OC3=O)sc2C1 ZINC000245241486 474572728 /nfs/dbraw/zinc/57/27/28/474572728.db2.gz FVKQGVCDINMMBG-UHIISALHSA-N 0 3 342.420 2.800 40 0 EFABHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1cc2ccccn2c1 ZINC000245343882 474574948 /nfs/dbraw/zinc/57/49/48/474574948.db2.gz WGZOUMLDLMNRQY-AYOQOUSVSA-N 0 3 341.455 2.559 40 0 EFABHN CCO[C@@H]1C[C@@H](N(C)C[C@@H]2CCCS(=O)(=O)C2)C1(CC)CC ZINC000252490338 474675029 /nfs/dbraw/zinc/67/50/29/474675029.db2.gz KPYJNTFBBJAAGH-ARFHVFGLSA-N 0 3 331.522 2.727 40 0 EFABHN CN1CC[C@@H](Nc2nccn3c2nnc3C2CC2)[C@H]1c1ccccc1 ZINC000252540591 474696053 /nfs/dbraw/zinc/69/60/53/474696053.db2.gz PPAIESSKKICYPF-HZPDHXFCSA-N 0 3 334.427 2.859 40 0 EFABHN CC[C@H](Cc1ccccc1)N(C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252581807 474697234 /nfs/dbraw/zinc/69/72/34/474697234.db2.gz MUABDEMJMCWDES-QYZOEREBSA-N 0 3 345.487 2.512 40 0 EFABHN Cc1nnsc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000252572225 474697527 /nfs/dbraw/zinc/69/75/27/474697527.db2.gz YZSFABCRSHPGQK-XJKSGUPXSA-N 0 3 344.484 2.829 40 0 EFABHN O=S1(=O)CC[C@H](NCCC[C@H]2CCCC[C@H]2O)c2ccccc21 ZINC000253370514 474727131 /nfs/dbraw/zinc/72/71/31/474727131.db2.gz RWPMSARSHJBIGH-HYVNUMGLSA-N 0 3 337.485 2.826 40 0 EFABHN CCN1CC[C@H](NCC(OC)OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000253393099 474734098 /nfs/dbraw/zinc/73/40/98/474734098.db2.gz RJRIQPRBSIDRCB-HOCLYGCPSA-N 0 3 330.831 2.823 40 0 EFABHN CC(C)CN1CCN2[C@@H](C1)CN(C(=O)c1ccccc1)CC2(C)C ZINC000253399048 474736553 /nfs/dbraw/zinc/73/65/53/474736553.db2.gz IAVUMGQUCNQDAB-SFHVURJKSA-N 0 3 329.488 2.563 40 0 biogenic,in-vitro EFABHN Cc1nc2c(cccc2C(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)o1 ZINC000253421134 474748397 /nfs/dbraw/zinc/74/83/97/474748397.db2.gz QTYRRXGJVWCGSA-SJORKVTESA-N 0 3 335.407 2.964 40 0 EFABHN CN1CCC(Nc2ccccc2NC(=O)[C@H]2CC23CCOCC3)CC1 ZINC000253430968 474756118 /nfs/dbraw/zinc/75/61/18/474756118.db2.gz PHOUKRPYNWSEIM-MRXNPFEDSA-N 0 3 343.471 2.948 40 0 EFABHN O=C(C1CCC1)N1CC2(C1)C[C@@H](COCC1CC1)CCN2CC1CC1 ZINC000306134008 474810472 /nfs/dbraw/zinc/81/04/72/474810472.db2.gz NBPZKFNJNOSTQA-SFHVURJKSA-N 0 3 346.515 2.916 40 0 EFABHN CC(C)CN1CC[C@@H](c2c3nccnc3sc2C(=O)N(C)C)C1 ZINC000257210588 474924813 /nfs/dbraw/zinc/92/48/13/474924813.db2.gz BVGYULSEHHKQNZ-GFCCVEGCSA-N 0 3 332.473 2.838 40 0 EFABHN Cn1ccnc1-c1cncc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000257284572 474932715 /nfs/dbraw/zinc/93/27/15/474932715.db2.gz PDFLGZMJLGZHTE-INIZCTEOSA-N 0 3 334.427 2.652 40 0 EFABHN CNc1ncccc1CN1CCC[C@H](c2ccc3cnn(C)c3n2)C1 ZINC000257291056 474933785 /nfs/dbraw/zinc/93/37/85/474933785.db2.gz QFKQCDGVVFBQFZ-HNNXBMFYSA-N 0 3 336.443 2.785 40 0 EFABHN CN(Cc1cccc(OCCO)c1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257292244 474936054 /nfs/dbraw/zinc/93/60/54/474936054.db2.gz QKQMIPVXDGFPOO-SFHVURJKSA-N 0 3 341.455 2.554 40 0 EFABHN Cn1ccnc1C(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2C ZINC000257298146 474938806 /nfs/dbraw/zinc/93/88/06/474938806.db2.gz RKKCXKLOUHSPJN-BZSNNMDCSA-N 0 3 338.455 2.513 40 0 EFABHN c1ncc(CN2CCC(c3ccnc(Nc4cnccn4)c3)CC2)[nH]1 ZINC000257305753 474943256 /nfs/dbraw/zinc/94/32/56/474943256.db2.gz SRJJWJJKLUSORG-UHFFFAOYSA-N 0 3 335.415 2.718 40 0 EFABHN COCCN1C(=O)CCC[C@H]2CN(Cc3cccc(OC)c3)CC[C@H]21 ZINC000257306556 474945955 /nfs/dbraw/zinc/94/59/55/474945955.db2.gz SUTCLZIRWLBLJO-PKOBYXMFSA-N 0 3 346.471 2.545 40 0 EFABHN Cc1cccc(CN2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)n1 ZINC000257314728 474948902 /nfs/dbraw/zinc/94/89/02/474948902.db2.gz UYFGLSOKEMJFAV-MRXNPFEDSA-N 0 3 334.427 2.745 40 0 EFABHN CC(=O)NCc1cnc(CC2CCN(Cc3ccsc3)CC2)cn1 ZINC000257315639 474948949 /nfs/dbraw/zinc/94/89/49/474948949.db2.gz VCFNUPUDUGLSKJ-UHFFFAOYSA-N 0 3 344.484 2.629 40 0 EFABHN Cc1nn(C)c2nc([C@@H]3CCCN(Cc4ccnc(C)n4)C3)ccc12 ZINC000257326537 474955139 /nfs/dbraw/zinc/95/51/39/474955139.db2.gz WXOSVRMLWTVUOO-OAHLLOKOSA-N 0 3 336.443 2.755 40 0 EFABHN Cn1cc(CN2CCC[C@@H](c3ccnc(Nc4cnccn4)c3)C2)cn1 ZINC000257338618 474963630 /nfs/dbraw/zinc/96/36/30/474963630.db2.gz YYEIZIVDHPUWSE-QGZVFWFLSA-N 0 3 349.442 2.728 40 0 EFABHN CCn1cc(CN2CCC(c3ccn4nc(C)cc4n3)CC2)c(C)n1 ZINC000257340176 474964158 /nfs/dbraw/zinc/96/41/58/474964158.db2.gz ZEXJJZVRMLACPH-UHFFFAOYSA-N 0 3 338.459 2.942 40 0 EFABHN O=C(NC[C@H]1CCCO1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000260825742 474974019 /nfs/dbraw/zinc/97/40/19/474974019.db2.gz JTRSLFFZYOZOII-DOTOQJQBSA-N 0 3 336.863 2.847 40 0 EFABHN COc1cc(C)c(CN(C)[C@H]2CCCN(c3cccnn3)C2)c(C)n1 ZINC000331870226 475440186 /nfs/dbraw/zinc/44/01/86/475440186.db2.gz UPLJYWWKFOWLNY-INIZCTEOSA-N 0 3 341.459 2.598 40 0 EFABHN Cc1ccc(CN2CCC(C(=O)NCCCn3ccnc3)CC2)cc1 ZINC000408710415 476970846 /nfs/dbraw/zinc/97/08/46/476970846.db2.gz RCDBPEILQJBDEA-UHFFFAOYSA-N 0 3 340.471 2.610 40 0 EFABHN C[C@@H]1Cc2nnc(COc3cncc(Cl)c3)n2CCN1CC1CC1 ZINC000585097918 479281555 /nfs/dbraw/zinc/28/15/55/479281555.db2.gz PDKUXLMDPJFIRQ-GFCCVEGCSA-N 0 3 347.850 2.562 40 0 EFABHN COCCN1CC[C@@]12CCCN(C(=O)C1(c3ccc(C)cc3)CC1)C2 ZINC000585101930 479283570 /nfs/dbraw/zinc/28/35/70/479283570.db2.gz LVHPJOIJFUNZHB-HXUWFJFHSA-N 0 3 342.483 2.740 40 0 EFABHN Cc1cccc(CN2CCOC[C@]3(CC(=O)N(CC(C)C)C3)C2)c1 ZINC000585103407 479284596 /nfs/dbraw/zinc/28/45/96/479284596.db2.gz BTSDWYXWQPYLNJ-HXUWFJFHSA-N 0 3 330.472 2.702 40 0 EFABHN CC(C)CN1CC[C@@]12CCCN(C(=O)c1nnsc1C1CC1)C2 ZINC000585102389 479284705 /nfs/dbraw/zinc/28/47/05/479284705.db2.gz YWQAUYQAPTWUPF-QGZVFWFLSA-N 0 3 334.489 2.752 40 0 EFABHN CC(C)S(=O)(=O)N1CC[C@H]2[C@H](CN2C[C@@H](C)c2ccccc2)C1 ZINC000585107980 479287280 /nfs/dbraw/zinc/28/72/80/479287280.db2.gz PQIXQZHXEFKYGD-NXHRZFHOSA-N 0 3 336.501 2.534 40 0 EFABHN CC(C)S(=O)(=O)N1CC[C@@H]2[C@H](CN2C[C@@H](C)c2ccccc2)C1 ZINC000585107978 479287539 /nfs/dbraw/zinc/28/75/39/479287539.db2.gz PQIXQZHXEFKYGD-KBAYOESNSA-N 0 3 336.501 2.534 40 0 EFABHN CN(C)C(=O)CN1CCC(NCc2oc3ccccc3c2Cl)CC1 ZINC000585140307 479298079 /nfs/dbraw/zinc/29/80/79/479298079.db2.gz CAUIRTURSVQWHB-UHFFFAOYSA-N 0 3 349.862 2.728 40 0 EFABHN Cc1cc([C@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)ccn1 ZINC000585180251 479302601 /nfs/dbraw/zinc/30/26/01/479302601.db2.gz WBDZPUIVSUKVDR-LJQANCHMSA-N 0 3 339.439 2.665 40 0 EFABHN COCCOc1cc(CN(C)C[C@@H](O)c2ccccc2)ccc1OC ZINC000585270376 479303522 /nfs/dbraw/zinc/30/35/22/479303522.db2.gz VPTOKBBZWMZDFV-GOSISDBHSA-N 0 3 345.439 2.886 40 0 EFABHN CN1CCN(Cc2cc[nH]n2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000585261128 479303707 /nfs/dbraw/zinc/30/37/07/479303707.db2.gz GCQSMJIFNTYVJT-INIZCTEOSA-N 0 3 335.455 2.564 40 0 EFABHN O[C@@]1(COc2ccc(F)cc2)COCCN(CC2CCCCC2)C1 ZINC000585278118 479306970 /nfs/dbraw/zinc/30/69/70/479306970.db2.gz ZTHWUOSASOCELS-LJQANCHMSA-N 0 3 337.435 2.848 40 0 EFABHN CO[C@@H]1CN(C(=O)/C=C/CN(C)C)CC[C@@H]1Cc1cccc(C)c1 ZINC000585290503 479310530 /nfs/dbraw/zinc/31/05/30/479310530.db2.gz XHTDKUOOYQIIQM-DCQHUWKXSA-N 0 3 330.472 2.519 40 0 EFABHN O=C(NCC1CCN([C@H]2CCOC2)CC1)c1ccc(F)cc1Cl ZINC000575605982 479450462 /nfs/dbraw/zinc/45/04/62/479450462.db2.gz IUKBQCHUYMIRCQ-AWEZNQCLSA-N 0 3 340.826 2.710 40 0 EFABHN CCOc1ccc(NC(=O)NCC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000575607648 479451840 /nfs/dbraw/zinc/45/18/40/479451840.db2.gz OKACJFIAXRGXIT-QGZVFWFLSA-N 0 3 347.459 2.708 40 0 EFABHN O[C@H](CN1CCC(n2ccc(C(F)(F)F)n2)CC1)CC(F)(F)F ZINC000189876779 534427033 /nfs/dbraw/zinc/42/70/33/534427033.db2.gz ONBOERJGYOGAEB-JTQLQIEISA-N 0 3 345.287 2.852 40 0 EFABHN CN(C)C[C@@H]1CCC[C@]2(CCN(C(=O)CCOc3ccccc3)C2)O1 ZINC000096209705 521846091 /nfs/dbraw/zinc/84/60/91/521846091.db2.gz PWINZTNAUZRXBP-AZUAARDMSA-N 0 3 346.471 2.557 40 0 EFABHN CN(C)CCN(C(=O)Nc1cccc(Cl)c1)C1CCOCC1 ZINC000207958084 535845312 /nfs/dbraw/zinc/84/53/12/535845312.db2.gz QSZVIIXTZLXHGZ-UHFFFAOYSA-N 0 3 325.840 2.915 40 0 EFABHN CCn1cc(C(=O)N2CC[C@@H](c3cc(NC)cc(C)n3)C2)c(C)n1 ZINC000257261429 536029883 /nfs/dbraw/zinc/02/98/83/536029883.db2.gz LHGSKCLELRJZKU-CQSZACIVSA-N 0 3 327.432 2.586 40 0 EFABHN CN(C)Cc1cnc([C@H]2CCN(C(=O)c3cccc(Cl)c3)C2)[nH]1 ZINC000257238712 536059702 /nfs/dbraw/zinc/05/97/02/536059702.db2.gz HMEULUBOYHDKOQ-ZDUSSCGKSA-N 0 3 332.835 2.754 40 0 EFABHN COc1ccc([C@H]2CNCCN2Cc2nc3ccccc3n2C)cc1 ZINC000257255433 536944617 /nfs/dbraw/zinc/94/46/17/536944617.db2.gz KHLQBMSUPHHPBV-LJQANCHMSA-N 0 3 336.439 2.728 40 0 EFABHN COc1cc(C)c(CN2CCC[C@H](c3nnc4n3CCC4)C2)c(C)n1 ZINC000679770320 549196590 /nfs/dbraw/zinc/19/65/90/549196590.db2.gz NMEGMVZNDKPXNP-HNNXBMFYSA-N 0 3 341.459 2.624 40 0 EFABHN CN1CCC[C@@H](C(=O)N2c3ccccc3NC(=O)c3cccnc32)C1 ZINC000003795847 210075328 /nfs/dbraw/zinc/07/53/28/210075328.db2.gz LPLNSPKKMWHFAU-CYBMUJFWSA-N 0 3 336.395 2.654 40 0 investigational EFABHN COc1ccc(CN2CCC[C@H](c3nn(C)c4nccnc34)C2)cc1 ZINC000019289387 202003365 /nfs/dbraw/zinc/00/33/65/202003365.db2.gz OAUDZTSYLKDNLP-HNNXBMFYSA-N 0 3 337.427 2.752 40 0 EFABHN OC1(Cn2ccc3ncccc32)C[C@H]2CC[C@@H](C1)N2Cc1ccncc1 ZINC000019346440 202005695 /nfs/dbraw/zinc/00/56/95/202005695.db2.gz SHVYXKXDYHVLOR-HTZLVSCSSA-N 0 3 348.450 2.989 40 0 EFABHN O=c1cc([C@@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)nc(-c2ccncc2)[n-]1 ZINC000019405857 202006755 /nfs/dbraw/zinc/00/67/55/202006755.db2.gz CAYHPOHBXLBIEM-DOTOQJQBSA-N 0 3 336.439 2.978 40 0 EFABHN O=c1cc([C@@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)nc(-c2ccncc2)[n-]1 ZINC000019405857 202006759 /nfs/dbraw/zinc/00/67/59/202006759.db2.gz CAYHPOHBXLBIEM-DOTOQJQBSA-N 0 3 336.439 2.978 40 0 EFABHN O=c1cc([C@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)nc(-c2ccncc2)[n-]1 ZINC000019405860 202007121 /nfs/dbraw/zinc/00/71/21/202007121.db2.gz CAYHPOHBXLBIEM-RDJZCZTQSA-N 0 3 336.439 2.978 40 0 EFABHN O=c1cc([C@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)nc(-c2ccncc2)[n-]1 ZINC000019405860 202007124 /nfs/dbraw/zinc/00/71/24/202007124.db2.gz CAYHPOHBXLBIEM-RDJZCZTQSA-N 0 3 336.439 2.978 40 0 EFABHN Fc1cccnc1O[C@@H]1Cn2cccc2CN(CC2CCOCC2)C1 ZINC000247550863 283032457 /nfs/dbraw/zinc/03/24/57/283032457.db2.gz VZAGPVSLJJHIEW-KRWDZBQOSA-N 0 3 345.418 2.712 40 0 EFABHN CCn1nccc1CN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000184242671 235345103 /nfs/dbraw/zinc/34/51/03/235345103.db2.gz FCAAIRZFWYLOPY-IMJJTQAJSA-N 0 3 334.464 2.638 40 0 EFABHN CCOc1c(Br)cc(CNCCN(C)C)cc1OC ZINC000022074695 202078952 /nfs/dbraw/zinc/07/89/52/202078952.db2.gz OXFGIZUUOKZMLP-UHFFFAOYSA-N 0 3 331.254 2.508 40 0 EFABHN CN1CCN(CCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 ZINC000022933460 202095157 /nfs/dbraw/zinc/09/51/57/202095157.db2.gz GSLCUNFWXAIABR-DHZHZOJOSA-N 0 3 343.515 2.751 40 0 EFABHN Cc1c(C(=O)NCc2ccccc2CN(C)C)[nH]c2c1C(=O)CCC2 ZINC000024084553 202112746 /nfs/dbraw/zinc/11/27/46/202112746.db2.gz FWWBYJNLIGHEEV-UHFFFAOYSA-N 0 3 339.439 2.834 40 0 EFABHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1Cc2ccccc2O1 ZINC000040013512 202166404 /nfs/dbraw/zinc/16/64/04/202166404.db2.gz BDNZQEFXDKBMTH-AZUAARDMSA-N 0 3 336.435 2.943 40 0 EFABHN CCOC(=O)[C@H]1CCCN(C[C@H](O)COc2ccccc2C(C)C)C1 ZINC000035075011 213006618 /nfs/dbraw/zinc/00/66/18/213006618.db2.gz UUJWJBPJLSKMCI-IRXDYDNUSA-N 0 3 349.471 2.825 40 0 EFABHN COCCc1ccccc1NC(=O)N1CCC(N2CC=CC2)CC1 ZINC000189578659 237041706 /nfs/dbraw/zinc/04/17/06/237041706.db2.gz AXLPUDKDFOPHGJ-UHFFFAOYSA-N 0 3 329.444 2.744 40 0 EFABHN Cc1ccc(C)c([C@H](O)CN2CCO[C@H](CN3CCCCC3)C2)c1 ZINC000036734427 202330648 /nfs/dbraw/zinc/33/06/48/202330648.db2.gz DEMMFZOWNVDXFD-UYAOXDASSA-N 0 3 332.488 2.524 40 0 EFABHN COc1ccccc1[C@@]1(O)CCCN(C[C@H](O)c2ccc(F)cc2)C1 ZINC000036741288 202330827 /nfs/dbraw/zinc/33/08/27/202330827.db2.gz IEXJXWCUJQTYAV-AZUAARDMSA-N 0 3 345.414 2.851 40 0 EFABHN O=C([C@H]1CCCN(C[C@@H](O)c2cccs2)C1)N1CCCCCC1 ZINC000036734362 202331023 /nfs/dbraw/zinc/33/10/23/202331023.db2.gz JNIBHYAJTCUVJN-JKSUJKDBSA-N 0 3 336.501 2.896 40 0 EFABHN C[C@H]1CCc2ccccc2N1CCC(=O)NC1CCN(C2CC2)CC1 ZINC000072844785 202369179 /nfs/dbraw/zinc/36/91/79/202369179.db2.gz NMMWWIOMEIEGOU-INIZCTEOSA-N 0 3 341.499 2.961 40 0 EFABHN CN1CCC[C@H](CNC(=O)N2CC[C@H](COCc3ccccc3)C2)C1 ZINC000074160590 202374125 /nfs/dbraw/zinc/37/41/25/202374125.db2.gz JLPJSNZCSGRQRN-MOPGFXCFSA-N 0 3 345.487 2.577 40 0 EFABHN NC(=O)C[C@@H]1CCCCN1Cc1ccccc1OCC(F)(F)F ZINC000075714699 202382603 /nfs/dbraw/zinc/38/26/03/202382603.db2.gz YYMWIOAPRCKAOB-ZDUSSCGKSA-N 0 3 330.350 2.858 40 0 EFABHN Cn1nc(C2CCN(Cc3ccccc3Cl)CC2)n(C2CC2)c1=O ZINC000077154124 202383911 /nfs/dbraw/zinc/38/39/11/202383911.db2.gz SARLZFBBCPIMKA-UHFFFAOYSA-N 0 3 346.862 2.950 40 0 EFABHN Cn1cc(CNCCOc2ccc(F)c(F)c2)c(-c2cccnc2)n1 ZINC000078604188 202397767 /nfs/dbraw/zinc/39/77/67/202397767.db2.gz VUNYWCZFSOXOBQ-UHFFFAOYSA-N 0 3 344.365 2.929 40 0 EFABHN Cc1cc(Cl)ccc1NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000076329920 202387746 /nfs/dbraw/zinc/38/77/46/202387746.db2.gz HDLJFCSSFNCPAZ-ZDUSSCGKSA-N 0 3 338.883 2.653 40 0 EFABHN Cc1cc(NC(=O)CN2CCN(C[C@H]3C(C)=CCC[C@@H]3C)CC2)no1 ZINC000191044192 238872588 /nfs/dbraw/zinc/87/25/88/238872588.db2.gz RCALACLHHJWBRW-RDJZCZTQSA-N 0 3 346.475 2.532 40 0 EFABHN C[C@H]1CN(CCN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CCO1 ZINC000249268518 201180115 /nfs/dbraw/zinc/18/01/15/201180115.db2.gz IUPQPMYXKPLPMG-JKSUJKDBSA-N 0 3 349.544 2.922 40 0 EFABHN Cc1ccc(CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cn1 ZINC000252486003 201183935 /nfs/dbraw/zinc/18/39/35/201183935.db2.gz CIFBGRACDXOUCQ-DNVCBOLYSA-N 0 3 338.455 2.710 40 0 EFABHN C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000252486039 201184156 /nfs/dbraw/zinc/18/41/56/201184156.db2.gz CPOZXWSTQPAXDA-AYOQOUSVSA-N 0 3 345.487 2.631 40 0 EFABHN Cc1cccc(F)c1NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000191620250 239215917 /nfs/dbraw/zinc/21/59/17/239215917.db2.gz VTOLQSJGALRRLD-UHFFFAOYSA-N 0 3 348.466 2.625 40 0 EFABHN Cc1nc(-c2ccccc2NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)no1 ZINC000081062081 201356495 /nfs/dbraw/zinc/35/64/95/201356495.db2.gz FRTUYZCGEIQTEV-KGLIPLIRSA-N 0 3 341.415 2.745 40 0 EFABHN COc1ccc([C@@H](NC(=O)NC2CCN(C)CC2)C(F)(F)F)cc1 ZINC000155145888 201397913 /nfs/dbraw/zinc/39/79/13/201397913.db2.gz DGYTYUKWGYRGKN-CQSZACIVSA-N 0 3 345.365 2.692 40 0 EFABHN Cc1n[nH]c(C)c1NC(=O)CN[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000191889660 239367570 /nfs/dbraw/zinc/36/75/70/239367570.db2.gz AEGSOODPJZHOGF-DLBZAZTESA-N 0 3 326.444 2.966 40 0 EFABHN C[C@H](NCCN(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000022790306 212325126 /nfs/dbraw/zinc/32/51/26/212325126.db2.gz JLDZHHWEZOGKGT-HNNXBMFYSA-N 0 3 327.428 2.957 40 0 EFABHN C[C@@H](NCCN(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000022790313 212325008 /nfs/dbraw/zinc/32/50/08/212325008.db2.gz JLDZHHWEZOGKGT-OAHLLOKOSA-N 0 3 327.428 2.957 40 0 EFABHN CCOC(=O)c1oc2c(c1C)[C@H](NCC(C)(C)C(=O)NC)CCC2 ZINC000193067496 240005481 /nfs/dbraw/zinc/00/54/81/240005481.db2.gz BKQFZOBTFONJLX-GFCCVEGCSA-N 0 3 336.432 2.504 40 0 EFABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)CCc3c(C)noc3C)C2)c1 ZINC000257341159 240312255 /nfs/dbraw/zinc/31/22/55/240312255.db2.gz ZJBOUIYLUDHXII-OAHLLOKOSA-N 0 3 342.443 2.985 40 0 EFABHN CCN1CCN(C[C@@H](O)COC2CCC(C(C)(C)C)CC2)CC1 ZINC000022030674 212272223 /nfs/dbraw/zinc/27/22/23/212272223.db2.gz YHGMGJZUNQTMDT-LXPRWKDFSA-N 0 3 326.525 2.606 40 0 EFABHN CCOC(=O)c1ccc(NC(=S)NC2CCN(C)CC2)c(C)c1 ZINC000225800198 242041778 /nfs/dbraw/zinc/04/17/78/242041778.db2.gz BESYKDPWAVDPPV-UHFFFAOYSA-N 0 3 335.473 2.552 40 0 EFABHN O=C(NCc1cccs1)N1CCCSC[C@H]1CN1CCCC1 ZINC000085473244 284010710 /nfs/dbraw/zinc/01/07/10/284010710.db2.gz PDHKFAMJVPKFIP-CQSZACIVSA-N 0 3 339.530 2.861 40 0 EFABHN O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2cccs2)C1 ZINC000096041272 284010768 /nfs/dbraw/zinc/01/07/68/284010768.db2.gz IAMYBYOGFYLVJO-IAOVAPTHSA-N 0 3 346.452 2.637 40 0 EFABHN CCc1[nH]nc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)C3)c1C ZINC000257206926 244137285 /nfs/dbraw/zinc/13/72/85/244137285.db2.gz BFMWJFDHFMOPHN-NQUFMGSDSA-N 0 3 330.476 2.758 40 0 EFABHN CNC(=O)c1cccc([C@H]2CN(Cc3sccc3C)CCN2C)c1 ZINC000257200476 244118091 /nfs/dbraw/zinc/11/80/91/244118091.db2.gz ADMYPVTVWSARLK-QGZVFWFLSA-N 0 3 343.496 2.905 40 0 EFABHN Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)CCN(C)Cc1cccnc1 ZINC000257223159 244191226 /nfs/dbraw/zinc/19/12/26/244191226.db2.gz DWECFYZURXIPJM-KRWDZBQOSA-N 0 3 341.459 2.689 40 0 EFABHN CC(=O)NCc1cncc([C@@H]2CCCN2Cc2cccc3[nH]ccc32)n1 ZINC000257222854 244192522 /nfs/dbraw/zinc/19/25/22/244192522.db2.gz DUXKFEORDBMEAT-FQEVSTJZSA-N 0 3 349.438 2.931 40 0 EFABHN Cc1cc(N)cc([C@H]2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)n1 ZINC000257226728 244200459 /nfs/dbraw/zinc/20/04/59/244200459.db2.gz FLWDPDHWNJNTBD-LJQANCHMSA-N 0 3 337.423 2.675 40 0 EFABHN OCCOc1cccc(CN2CCC(Cc3ccncc3)CC2)c1 ZINC000257226899 244204530 /nfs/dbraw/zinc/20/45/30/244204530.db2.gz FMQVQAYFWROGIJ-UHFFFAOYSA-N 0 3 326.440 2.907 40 0 EFABHN COc1ncc(CN2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)cn1 ZINC000257230245 244209499 /nfs/dbraw/zinc/20/94/99/244209499.db2.gz GBLITLVGXNRNII-VQFNDLOPSA-N 0 3 325.412 2.775 40 0 EFABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3ccccc3F)CCO2)n1 ZINC000257218979 244178413 /nfs/dbraw/zinc/17/84/13/244178413.db2.gz DFCHCJKWEPRGFF-SFHVURJKSA-N 0 3 343.402 2.809 40 0 EFABHN c1cnc(Nc2cc(C3CCN([C@@H]4CCOC4)CC3)ccn2)cn1 ZINC000257220450 244181367 /nfs/dbraw/zinc/18/13/67/244181367.db2.gz DKWOUIAILSYZIO-MRXNPFEDSA-N 0 3 325.416 2.584 40 0 EFABHN Cc1cc(N)cc([C@H]2CN(C(=O)c3ccc(C)c(F)c3)CCO2)n1 ZINC000257219983 244181531 /nfs/dbraw/zinc/18/15/31/244181531.db2.gz DJBLDKXEVNRKIB-QGZVFWFLSA-N 0 3 329.375 2.633 40 0 EFABHN Cc1nc(C(=O)NCCc2ccccc2)cc([C@H]2CCCN(C)C2)n1 ZINC000072382872 203210978 /nfs/dbraw/zinc/21/09/78/203210978.db2.gz TYCYVENPMYITSH-KRWDZBQOSA-N 0 3 338.455 2.567 40 0 EFABHN c1cc(CN2CCC[C@H](Cc3ccc(N4CCCC4)nn3)C2)ccn1 ZINC000072387308 203212264 /nfs/dbraw/zinc/21/22/64/203212264.db2.gz KJXFSHCDGBJWSF-GOSISDBHSA-N 0 3 337.471 2.927 40 0 EFABHN Cc1nc(Nc2cnccn2)cc([C@@H]2CCCN2C2CCOCC2)n1 ZINC000072360363 203204553 /nfs/dbraw/zinc/20/45/53/203204553.db2.gz OFVAOTCBTIVOMY-INIZCTEOSA-N 0 3 340.431 2.635 40 0 EFABHN Cc1cncc([C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257239521 244239634 /nfs/dbraw/zinc/23/96/34/244239634.db2.gz HPSLIXMOFGQZLF-MRXNPFEDSA-N 0 3 325.412 2.936 40 0 EFABHN Cn1cc(C(=O)N2[C@H](c3ccccc3)C[C@@H]3[C@@H]2CCCCN3C)cn1 ZINC000257240104 244242582 /nfs/dbraw/zinc/24/25/82/244242582.db2.gz HSBYMEXRWCCZNN-GBESFXJTSA-N 0 3 338.455 2.860 40 0 EFABHN Cc1cc(CCC(=O)Nc2nncs2)cc([C@@H]2CCCN2C)n1 ZINC000072360561 203206383 /nfs/dbraw/zinc/20/63/83/203206383.db2.gz LAJRBETZWGHTIK-AWEZNQCLSA-N 0 3 331.445 2.580 40 0 EFABHN Cc1ncc(-c2cncc(C3CCN(Cc4cccnc4)CC3)n2)n1C ZINC000257247413 244259826 /nfs/dbraw/zinc/25/98/26/244259826.db2.gz IYYDSDFZLIFYHK-UHFFFAOYSA-N 0 3 348.454 2.960 40 0 EFABHN CC(=O)NCc1cncc([C@@H]2CCCN2CCCc2ccccc2)n1 ZINC000257251143 244267537 /nfs/dbraw/zinc/26/75/37/244267537.db2.gz JPOOLRJCKNBZJN-FQEVSTJZSA-N 0 3 338.455 2.882 40 0 EFABHN O=c1cc([C@H]2CCC[N@H+](Cc3ccco3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392888 203212834 /nfs/dbraw/zinc/21/28/34/203212834.db2.gz NMBOUQXGZNCFJL-HNNXBMFYSA-N 0 3 336.395 2.805 40 0 EFABHN O=c1cc([C@H]2CCC[N@@H+](Cc3ccco3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392888 203212838 /nfs/dbraw/zinc/21/28/38/203212838.db2.gz NMBOUQXGZNCFJL-HNNXBMFYSA-N 0 3 336.395 2.805 40 0 EFABHN CN1CCc2nc([C@H]3CCN(C(=O)CC4CCCCC4)C3)ncc2C1 ZINC000072390927 203213651 /nfs/dbraw/zinc/21/36/51/203213651.db2.gz RKLVOYCZARZNHG-INIZCTEOSA-N 0 3 342.487 2.751 40 0 EFABHN Cc1cccc(CCNC(=O)c2cncc([C@@H]3CCCN(C)C3)n2)c1 ZINC000257253901 244275687 /nfs/dbraw/zinc/27/56/87/244275687.db2.gz KASYUSKWCUJFTK-QGZVFWFLSA-N 0 3 338.455 2.567 40 0 EFABHN Cc1c[nH]c(-c2nccnc2[C@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000257265335 244359194 /nfs/dbraw/zinc/35/91/94/244359194.db2.gz LYGXNVGGHHZBCC-HNNXBMFYSA-N 0 3 334.427 2.950 40 0 EFABHN Cc1nc(-c2nccn2C)cc(C2CCN(Cc3cccnc3)CC2)n1 ZINC000257270836 244376719 /nfs/dbraw/zinc/37/67/19/244376719.db2.gz MVVWXEHSCLSNFA-UHFFFAOYSA-N 0 3 348.454 2.960 40 0 EFABHN CCOc1ccc(CN2CCC[C@H](c3cnccn3)C2)cc1CO ZINC000257273603 244385090 /nfs/dbraw/zinc/38/50/90/244385090.db2.gz NHJAJXXFUUUMAJ-INIZCTEOSA-N 0 3 327.428 2.747 40 0 EFABHN Cc1cc(N)cc([C@@H]2CN(C(=O)CCc3ccccc3F)CCO2)n1 ZINC000257274800 244387832 /nfs/dbraw/zinc/38/78/32/244387832.db2.gz NMRVUPVHJVXVMM-SFHVURJKSA-N 0 3 343.402 2.644 40 0 EFABHN Cc1ncsc1CN1CC[C@H](Cc2nccnc2-c2ncc[nH]2)C1 ZINC000257274176 244389166 /nfs/dbraw/zinc/38/91/66/244389166.db2.gz NJWKJZBQNWMLNL-CYBMUJFWSA-N 0 3 340.456 2.696 40 0 EFABHN CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](N)C(C)C ZINC000079410215 284193863 /nfs/dbraw/zinc/19/38/63/284193863.db2.gz MEELSOBURCLVDH-KKUMJFAQSA-N 0 3 341.496 2.654 40 0 EFABHN CN(C)C(=O)[C@@H]1OC2(CCN(Cc3ccoc3)CC2)c2ccccc21 ZINC000096058368 203815092 /nfs/dbraw/zinc/81/50/92/203815092.db2.gz HXSMQKWWHJLXII-GOSISDBHSA-N 0 3 340.423 2.930 40 0 EFABHN Fc1cnc(N[C@H]2CO[C@]3(CCN(Cc4cccs4)C3)C2)nc1 ZINC000107226567 204227983 /nfs/dbraw/zinc/22/79/83/204227983.db2.gz BSMISWUCEVVFHF-CZUORRHYSA-N 0 3 334.420 2.523 40 0 EFABHN c1csc(CN2CCC[C@@]3(C[C@@H](Nc4cnccn4)CO3)C2)c1 ZINC000107787674 204247946 /nfs/dbraw/zinc/24/79/46/204247946.db2.gz NXQJJXWQEMDRAY-RHSMWYFYSA-N 0 3 330.457 2.774 40 0 EFABHN O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@]12CCN(Cc1ccccn1)C2 ZINC000108531090 204265211 /nfs/dbraw/zinc/26/52/11/204265211.db2.gz BFHLDJFMYZFNKP-SJLPKXTDSA-N 0 3 349.425 2.988 40 0 EFABHN Cc1cccc(CN2CCC3(CC(NC(=O)c4ccncc4)C3)C2)n1 ZINC000108527208 204266203 /nfs/dbraw/zinc/26/62/03/204266203.db2.gz DAKCOIFXZYOHHA-UHFFFAOYSA-N 0 3 336.439 2.570 40 0 EFABHN Cc1cccnc1CN1CC[C@]2(CCC[C@H]2C(=O)N2CCCCO2)C1 ZINC000108526615 204266282 /nfs/dbraw/zinc/26/62/82/204266282.db2.gz YKCLXSDABQWLJA-FXAWDEMLSA-N 0 3 343.471 2.936 40 0 EFABHN Cc1ncsc1CN1CC[C@@]2(CCC[C@H]2C(=O)NCC2CC2)C1 ZINC000108534814 204266941 /nfs/dbraw/zinc/26/69/41/204266941.db2.gz DMIYSAKEXNHGTC-YJBOKZPZSA-N 0 3 333.501 2.970 40 0 EFABHN COc1cccc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)n1 ZINC000108536535 204267026 /nfs/dbraw/zinc/26/70/26/204267026.db2.gz CAWRHIMPIGMXPX-XLIONFOSSA-N 0 3 343.471 2.705 40 0 EFABHN COC(=O)c1cccc(NC(=O)NCCN2C[C@@H](C)C[C@H](C)C2)c1 ZINC000048326322 204345524 /nfs/dbraw/zinc/34/55/24/204345524.db2.gz ROLXWCJCGWNFIX-KBPBESRZSA-N 0 3 333.432 2.573 40 0 EFABHN CC(C)C[C@@H]1N[C@H](C(=O)N2CCOCC2)Cc2c[nH]c3cccc1c23 ZINC000049171412 204369566 /nfs/dbraw/zinc/36/95/66/204369566.db2.gz SJWANCJQDNJPGS-ROUUACIJSA-N 0 3 341.455 2.628 40 0 biogenic,in-vitro EFABHN Cc1c(Cl)cccc1N1C(=O)C[C@H](NCCCOC(C)C)C1=O ZINC000017084930 211953915 /nfs/dbraw/zinc/95/39/15/211953915.db2.gz GHOKCLBBOZOKHU-AWEZNQCLSA-N 0 3 338.835 2.685 40 0 EFABHN CC(C)n1nccc1C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000129747050 205209152 /nfs/dbraw/zinc/20/91/52/205209152.db2.gz KBPCWJGEJSJPLM-UHFFFAOYSA-N 0 3 330.432 2.794 40 0 EFABHN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000103265433 206398619 /nfs/dbraw/zinc/39/86/19/206398619.db2.gz KNUMYPWPQPYLBT-IIAWOOMASA-N 0 3 329.444 2.625 40 0 EFABHN O=C(NC1CCCCCCC1)N1CCCN(C2CCOCC2)CC1 ZINC000095399567 218333064 /nfs/dbraw/zinc/33/30/64/218333064.db2.gz FETNRGULOLSKJY-UHFFFAOYSA-N 0 3 337.508 2.996 40 0 EFABHN C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1csc(C2CC2)n1 ZINC000095405332 218341541 /nfs/dbraw/zinc/34/15/41/218341541.db2.gz XVFZDNCMTWDMQB-BNOWGMLFSA-N 0 3 334.489 2.960 40 0 EFABHN Cc1cc([C@@](C)(O)CN[C@@H](C)CC(=O)N2CCCCCC2)c(C)o1 ZINC000095423153 218364968 /nfs/dbraw/zinc/36/49/68/218364968.db2.gz AOHFCWQZFRMTTR-LIRRHRJNSA-N 0 3 336.476 2.875 40 0 EFABHN CN(CCC(=O)Nc1cccc(F)c1)[C@@H]1CCCc2c1cnn2C ZINC000095432453 218374678 /nfs/dbraw/zinc/37/46/78/218374678.db2.gz QRUAEJIJZNADSQ-MRXNPFEDSA-N 0 3 330.407 2.897 40 0 EFABHN C[C@H](C(=O)N(Cc1ccco1)C1CCN(C)CC1)c1cccnc1 ZINC000174826604 207062724 /nfs/dbraw/zinc/06/27/24/207062724.db2.gz GBZFCWMFLYGHII-HNNXBMFYSA-N 0 3 327.428 2.901 40 0 EFABHN CCOc1cccc(CCNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000097234383 219002280 /nfs/dbraw/zinc/00/22/80/219002280.db2.gz GMNGTXJUZDIFNE-MJGOQNOKSA-N 0 3 345.487 2.754 40 0 EFABHN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCCn2ccnc2)cc1 ZINC000097375022 219018316 /nfs/dbraw/zinc/01/83/16/219018316.db2.gz KOOADZUSHYLTKD-ZWKOTPCHSA-N 0 3 347.484 2.566 40 0 EFABHN O=C([C@@H]1CCC[C@@]12CCN(Cc1cccnc1)C2)N1CC(F)(F)C1 ZINC000503788345 257788574 /nfs/dbraw/zinc/78/85/74/257788574.db2.gz LIOKTPLQXGBAPI-RDJZCZTQSA-N 0 3 335.398 2.551 40 0 EFABHN O=C(CNCC1CCCCC1)Nc1ccccc1N1CCOCC1 ZINC000035311488 132389677 /nfs/dbraw/zinc/38/96/77/132389677.db2.gz NXGJEIHVPRVMFE-UHFFFAOYSA-N 0 3 331.460 2.632 40 0 EFABHN CN(C[C@@H]1CCOC1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000096486765 544558939 /nfs/dbraw/zinc/55/89/39/544558939.db2.gz QOTLJDDOOGQCBJ-XHDPSFHLSA-N 0 3 326.799 2.553 40 0 EFABHN Cc1noc(C)c1CCN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000165987621 544850461 /nfs/dbraw/zinc/85/04/61/544850461.db2.gz JUWPOKPFGZZUSL-OAHLLOKOSA-N 0 3 325.416 2.756 40 0 EFABHN CS(=O)(=O)[C@H]1CCC[C@H](NCCOc2ccccc2Cl)C1 ZINC000281073787 273397977 /nfs/dbraw/zinc/39/79/77/273397977.db2.gz TYROQWVKWWUKLH-STQMWFEESA-N 0 3 331.865 2.664 40 0 EFABHN CS(=O)(=O)[C@H]1CCC[C@@H](NCCOc2ccccc2Cl)C1 ZINC000281073783 273397980 /nfs/dbraw/zinc/39/79/80/273397980.db2.gz TYROQWVKWWUKLH-OLZOCXBDSA-N 0 3 331.865 2.664 40 0 EFABHN CO[C@H]1CCN(Cc2ccsc2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096109482 274081014 /nfs/dbraw/zinc/08/10/14/274081014.db2.gz FCVPLHBAZSKJQU-OTWHNJEPSA-N 0 3 343.496 2.864 40 0 EFABHN Cc1ccc2c(c1)OC1(CCN(CCC(N)=O)CC1)[C@H]1CCCO[C@H]21 ZINC000257305211 274772637 /nfs/dbraw/zinc/77/26/37/274772637.db2.gz SOXPSRSBXRFYND-QFBILLFUSA-N 0 3 344.455 2.565 40 0 EFABHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2CCOc3ccccc32)C1 ZINC000245316729 277155424 /nfs/dbraw/zinc/15/54/24/277155424.db2.gz KJZIICMAGKMOKZ-SOLBZPMBSA-N 0 3 343.471 2.678 40 0 EFABHN COCCN1CCC2(CC1)C[C@H](NC(=O)C(C)C)c1ccccc1O2 ZINC000096242758 277515015 /nfs/dbraw/zinc/51/50/15/277515015.db2.gz LIBOQYXAXITUGW-KRWDZBQOSA-N 0 3 346.471 2.763 40 0 EFABHN COC[C@@H]1CC2(CN1c1ncccn1)CCN(Cc1ccoc1)CC2 ZINC000096240379 277574225 /nfs/dbraw/zinc/57/42/25/277574225.db2.gz FKHUBGBNUNXBIT-KRWDZBQOSA-N 0 3 342.443 2.577 40 0 EFABHN O=C(Nc1nc2ccccc2n1CCN1CCCCC1)[C@H]1CCCO1 ZINC000032502463 280062484 /nfs/dbraw/zinc/06/24/84/280062484.db2.gz AFNUIVPQFXGZRD-QGZVFWFLSA-N 0 3 342.443 2.640 40 0 EFABHN CC(C)[C@H](N)C(=O)N(C(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391459 280271299 /nfs/dbraw/zinc/27/12/99/280271299.db2.gz XSNGYMXHIHQXME-GJZGRUSLSA-N 0 3 341.496 2.606 40 0 EFABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H](N(C(=O)OC(C)(C)C)C(C)C)C1 ZINC000079410274 280272204 /nfs/dbraw/zinc/27/22/04/280272204.db2.gz FSVSGRVRPQLVRX-CABCVRRESA-N 0 3 341.496 2.606 40 0 EFABHN Cc1cc(C(=O)N2Cc3ccnn3[C@@H](CN3CCCC3)C2)sc1C ZINC000253599555 280345492 /nfs/dbraw/zinc/34/54/92/280345492.db2.gz RDALTSKJNZGRTB-INIZCTEOSA-N 0 3 344.484 2.854 40 0 EFABHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1N(C)C ZINC000078046885 290242015 /nfs/dbraw/zinc/24/20/15/290242015.db2.gz NMLGGAGOHLYIFH-CQSZACIVSA-N 0 3 347.484 2.593 40 0 EFABHN CCn1c2cc(Br)ccc2nc1NC(=O)CNC1CC1 ZINC000095467127 441933025 /nfs/dbraw/zinc/93/30/25/441933025.db2.gz TYBMSHXBXPNEKJ-UHFFFAOYSA-N 0 3 337.221 2.509 40 0 EFABHN CC(=O)NC1CCC(NCc2cccnc2OC2CCCC2)CC1 ZINC000132522400 323219293 /nfs/dbraw/zinc/21/92/93/323219293.db2.gz NALMJSZGPPSUST-UHFFFAOYSA-N 0 3 331.460 2.940 40 0 EFABHN CNC(=O)Cc1nc(CN[C@@H]2CCC[C@@H]2c2ccccc2)cs1 ZINC000133470268 323219462 /nfs/dbraw/zinc/21/94/62/323219462.db2.gz XOZVDVREVKNUHQ-HZPDHXFCSA-N 0 3 329.469 2.858 40 0 EFABHN CN(C)C(=O)[C@H]1CC[C@H](CNC2c3ccccc3-c3ccccc32)O1 ZINC000183925274 323351179 /nfs/dbraw/zinc/35/11/79/323351179.db2.gz KNURNTONXDISPG-AUUYWEPGSA-N 0 3 336.435 2.982 40 0 EFABHN CCS[C@@H]1CCCC[C@H]1N[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000189502882 323447857 /nfs/dbraw/zinc/44/78/57/323447857.db2.gz ZBQUWXVVDYQYBW-BZUAXINKSA-N 0 3 336.505 2.569 40 0 EFABHN N#[N+][N-]c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cn1 ZINC000095472068 473210267 /nfs/dbraw/zinc/21/02/67/473210267.db2.gz OEGUCIGLBNMUHO-UHFFFAOYSA-O 0 3 337.407 2.656 40 0 EFABHN COc1cccc(NCCc2nc([C@@H](N)Cc3ccccc3)n[nH]2)c1 ZINC000095534871 473224030 /nfs/dbraw/zinc/22/40/30/473224030.db2.gz RZMMSCAPKCQUHT-KRWDZBQOSA-N 0 3 337.427 2.710 40 0 EFABHN Cc1cc(Br)cc(C(=O)N(C)C2CCN(C)CC2)c1 ZINC000124275877 473226595 /nfs/dbraw/zinc/22/65/95/473226595.db2.gz IBNFHIAPUBATRX-UHFFFAOYSA-N 0 3 325.250 2.924 40 0 EFABHN Cc1cccc(C(=O)N2CC3(C2)CCN(Cc2ccsc2)C3)n1 ZINC000096046495 473266993 /nfs/dbraw/zinc/26/69/93/473266993.db2.gz UXSFALDMVLIXEP-UHFFFAOYSA-N 0 3 327.453 2.800 40 0 EFABHN O=C(c1ccccn1)N1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000096046518 473267596 /nfs/dbraw/zinc/26/75/96/473267596.db2.gz ARQKBVYCYMTKHY-UHFFFAOYSA-N 0 3 336.439 2.605 40 0 EFABHN O=C(c1cccnc1)N1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC000096046662 473267975 /nfs/dbraw/zinc/26/79/75/473267975.db2.gz WHFPHUBIUYIVPY-UHFFFAOYSA-N 0 3 325.412 2.803 40 0 EFABHN Cc1ccc(CN2CC[C@]3(C[C@H](Nc4ncccc4F)CO3)C2)o1 ZINC000096047638 473268776 /nfs/dbraw/zinc/26/87/76/473268776.db2.gz CEUJYYKUQVHSDF-KSSFIOAISA-N 0 3 331.391 2.968 40 0 EFABHN Cc1ccc(CN2CCC[C@@]3(CCCCN3S(C)(=O)=O)C2)s1 ZINC000096047421 473268822 /nfs/dbraw/zinc/26/88/22/473268822.db2.gz UZVQSBZWXJWAAV-INIZCTEOSA-N 0 3 342.530 2.837 40 0 EFABHN CN(Cc1ccncc1)[C@H]1COC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096048072 473269587 /nfs/dbraw/zinc/26/95/87/473269587.db2.gz WKBBYZADYUYYTF-LJQANCHMSA-N 0 3 341.455 2.930 40 0 EFABHN COc1ccc(CN2CCC[C@@]3(C[C@H](n4ccnc4)CO3)C2)cc1 ZINC000096048561 473271453 /nfs/dbraw/zinc/27/14/53/473271453.db2.gz ZSUPZBRVNNTAMD-PKOBYXMFSA-N 0 3 327.428 2.888 40 0 EFABHN c1cc(CN2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)co1 ZINC000096049541 473273298 /nfs/dbraw/zinc/27/32/98/473273298.db2.gz NKCJUSHIGMYRGO-IBGZPJMESA-N 0 3 327.428 2.794 40 0 EFABHN Cc1ccc(CN2CC[C@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)o1 ZINC000096050946 473275632 /nfs/dbraw/zinc/27/56/32/473275632.db2.gz FSWFVKBKQBPBDO-IBGZPJMESA-N 0 3 343.427 2.817 40 0 EFABHN Cn1ccc(C(=O)N[C@H]2CCC23CCN(Cc2ccccn2)CC3)c1 ZINC000096051701 473275908 /nfs/dbraw/zinc/27/59/08/473275908.db2.gz GIRWBRRBESUHSE-SFHVURJKSA-N 0 3 338.455 2.595 40 0 EFABHN Cc1cccc(C(=O)N2C[C@H]3CN(Cc4cccc(F)c4)C[C@@H]3C2)n1 ZINC000096053889 473276168 /nfs/dbraw/zinc/27/61/68/473276168.db2.gz HRFYXYRLECEFNU-IAGOWNOFSA-N 0 3 339.414 2.733 40 0 EFABHN Cc1ccc(CN2C[C@H]3CN(C(=O)c4cscn4)C[C@@H]3C2)s1 ZINC000096053932 473276317 /nfs/dbraw/zinc/27/63/17/473276317.db2.gz GEXLIMJDIPTMLO-STQMWFEESA-N 0 3 333.482 2.717 40 0 EFABHN Cc1cccc(C(=O)N2C[C@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)n1 ZINC000096053888 473276900 /nfs/dbraw/zinc/27/69/00/473276900.db2.gz HRFYXYRLECEFNU-CALCHBBNSA-N 0 3 339.414 2.733 40 0 EFABHN Cc1ccc(CN2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC000096055037 473278404 /nfs/dbraw/zinc/27/84/04/473278404.db2.gz GESCCDCBNGHGCD-QZTJIDSGSA-N 0 3 343.496 2.927 40 0 EFABHN CN(Cc1ccco1)C[C@H]1OC[C@@H]2CCN(Cc3ccccn3)C[C@@H]21 ZINC000096056299 473281817 /nfs/dbraw/zinc/28/18/17/473281817.db2.gz DFQQICUBPXBAIU-FFZOFVMBSA-N 0 3 341.455 2.644 40 0 EFABHN CCOC[C@H]1CN(CC2CCOCC2)Cc2cn(CC3CC3)nc21 ZINC000096059979 473282889 /nfs/dbraw/zinc/28/28/89/473282889.db2.gz QSCGKVRVWDNXTM-GOSISDBHSA-N 0 3 333.476 2.655 40 0 EFABHN O=C([C@H]1CCC2(CCN(Cc3ccsc3)CC2)O1)N1CCCC1 ZINC000096061226 473285324 /nfs/dbraw/zinc/28/53/24/473285324.db2.gz WTDPSBGZVSDKBX-MRXNPFEDSA-N 0 3 334.485 2.884 40 0 EFABHN O=C([C@H]1CCC2(CCN(Cc3cccs3)CC2)O1)N1CCCC1 ZINC000096061222 473286005 /nfs/dbraw/zinc/28/60/05/473286005.db2.gz NZMHQILWNBBZFM-MRXNPFEDSA-N 0 3 334.485 2.884 40 0 EFABHN Cn1cnc(C(=O)N2CCC[C@]23CCCN(Cc2ccccc2)C3)c1 ZINC000096071385 473290075 /nfs/dbraw/zinc/29/00/75/473290075.db2.gz JBPRACVMAXKYGQ-FQEVSTJZSA-N 0 3 338.455 2.691 40 0 EFABHN c1csc(N[C@H]2COC3(C2)CCN(Cc2cccnc2)CC3)n1 ZINC000096074231 473290561 /nfs/dbraw/zinc/29/05/61/473290561.db2.gz MVPKIJXHCOHKAA-OAHLLOKOSA-N 0 3 330.457 2.774 40 0 EFABHN CCN1CCOC[C@]2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000096076485 473291112 /nfs/dbraw/zinc/29/11/12/473291112.db2.gz IWSNRABRJOUOJT-HXUWFJFHSA-N 0 3 341.455 2.742 40 0 EFABHN c1c[nH]c(CN2CCC3(CC2)COCCN(c2nccs2)C3)c1 ZINC000096078264 473291793 /nfs/dbraw/zinc/29/17/93/473291793.db2.gz DKZNOBNPFYRRKZ-UHFFFAOYSA-N 0 3 332.473 2.590 40 0 EFABHN O=C(c1ccccc1-c1ccccc1)N1CCC2(CC1)CNCCO2 ZINC000096088528 473293503 /nfs/dbraw/zinc/29/35/03/473293503.db2.gz BVAXPTQQSDKWOF-UHFFFAOYSA-N 0 3 336.435 2.948 40 0 EFABHN O=C1N(CC2CC2)c2ccccc2[C@]12CCN(Cc1cccnc1)C2 ZINC000096100335 473295536 /nfs/dbraw/zinc/29/55/36/473295536.db2.gz LONSGYSJFKQVQX-OAQYLSRUSA-N 0 3 333.435 2.982 40 0 EFABHN c1ccc(CN2CCC3(CO[C@@H](COc4cccnc4)C3)CC2)nc1 ZINC000096106086 473298488 /nfs/dbraw/zinc/29/84/88/473298488.db2.gz YVBXEUPVLZRRTE-LJQANCHMSA-N 0 3 339.439 2.927 40 0 EFABHN c1cncc(CN2CCC3(C[C@H](OCC4CCOCC4)CO3)CC2)c1 ZINC000096106690 473299170 /nfs/dbraw/zinc/29/91/70/473299170.db2.gz JHNMBTWXQRIAHG-IBGZPJMESA-N 0 3 346.471 2.648 40 0 EFABHN Cc1ccsc1CN1C[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108130 473300902 /nfs/dbraw/zinc/30/09/02/473300902.db2.gz FRKXUDGEGCWCHX-ZWKOTPCHSA-N 0 3 343.496 2.784 40 0 EFABHN Fc1ccccc1CN1C[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108127 473300956 /nfs/dbraw/zinc/30/09/56/473300956.db2.gz WQCZDFWLJQEDOJ-AZUAARDMSA-N 0 3 341.430 2.554 40 0 EFABHN CO[C@H]1CCN(Cc2ccc(C)o2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096109460 473301953 /nfs/dbraw/zinc/30/19/53/473301953.db2.gz TXGUSPBJKYSCER-ZCNNSNEGSA-N 0 3 341.455 2.704 40 0 EFABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)o1 ZINC000096108867 473302058 /nfs/dbraw/zinc/30/20/58/473302058.db2.gz FWRCWEGBLLZJDN-IEBWSBKVSA-N 0 3 328.412 2.648 40 0 EFABHN Cc1ncsc1CN1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 ZINC000096108177 473302306 /nfs/dbraw/zinc/30/23/06/473302306.db2.gz SIOSVSXPYMSLFC-GOEBONIOSA-N 0 3 349.525 2.846 40 0 EFABHN Cc1ccsc1CN1C[C@@H]2COC[C@]2(CNC(=O)c2ccco2)C1 ZINC000096108456 473302869 /nfs/dbraw/zinc/30/28/69/473302869.db2.gz JQDZRBFAGZAAQM-KDOFPFPSSA-N 0 3 346.452 2.528 40 0 EFABHN Cc1nc(COC[C@]23COC[C@H]2CN(Cc2ccncc2)C3)cs1 ZINC000096108911 473302891 /nfs/dbraw/zinc/30/28/91/473302891.db2.gz QPWYDWQSYHPYOE-AEFFLSMTSA-N 0 3 345.468 2.512 40 0 EFABHN c1ccc(CO[C@H]2COC3(C2)CCN(Cc2ccncc2)CC3)nc1 ZINC000096110825 473303430 /nfs/dbraw/zinc/30/34/30/473303430.db2.gz VTLYGWSKXUTPFK-LJQANCHMSA-N 0 3 339.439 2.817 40 0 EFABHN CCc1nc(-c2cc(C(=O)NCCN(C)C)c3ccccn23)cs1 ZINC000096154812 473317019 /nfs/dbraw/zinc/31/70/19/473317019.db2.gz ZLIUUASCTMCYHB-UHFFFAOYSA-N 0 3 342.468 2.917 40 0 EFABHN CN(Cc1cccs1)[C@@H]1COC2(C1)CCN(c1ncccn1)CC2 ZINC000096158714 473317650 /nfs/dbraw/zinc/31/76/50/473317650.db2.gz RWTLZMRBEPHMGV-HNNXBMFYSA-N 0 3 344.484 2.798 40 0 EFABHN COCC(=O)N1CCC2(CCN(Cc3cccc(OC)c3)CC2)CC1 ZINC000096158423 473317751 /nfs/dbraw/zinc/31/77/51/473317751.db2.gz NZLGLSUQTVDUOF-UHFFFAOYSA-N 0 3 346.471 2.546 40 0 EFABHN O=C(c1cccnc1)N1CCC[C@@]2(CCN(Cc3cccnc3)C2)C1 ZINC000096158147 473317921 /nfs/dbraw/zinc/31/79/21/473317921.db2.gz YVRDXDVJPXFRBG-FQEVSTJZSA-N 0 3 336.439 2.605 40 0 EFABHN Fc1cnc(N2CCC[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC000096158306 473318471 /nfs/dbraw/zinc/31/84/71/473318471.db2.gz XFCAVVSOSQIWBB-SFHVURJKSA-N 0 3 327.407 2.503 40 0 EFABHN O=C1N(Cc2cccc(F)c2)CC[C@@]12CCN(Cc1ccncc1)C2 ZINC000096159659 473319300 /nfs/dbraw/zinc/31/93/00/473319300.db2.gz DOVXFUYXEADFLK-HXUWFJFHSA-N 0 3 339.414 2.845 40 0 EFABHN CN(Cc1cccnc1)C[C@@H]1OC[C@H]2CN(Cc3ccco3)CC[C@@H]12 ZINC000096185363 473325762 /nfs/dbraw/zinc/32/57/62/473325762.db2.gz YEBZJXDBMHHEAX-RLLQIKCJSA-N 0 3 341.455 2.644 40 0 EFABHN O=C(NC[C@H]1OC[C@@H]2CN(Cc3ccsc3)CC[C@@H]21)c1ccco1 ZINC000096185311 473327932 /nfs/dbraw/zinc/32/79/32/473327932.db2.gz NKTLFCKGBVIICB-YQQAZPJKSA-N 0 3 346.452 2.608 40 0 EFABHN O=C1CC[C@H]2[C@H](CCN2Cc2ccsc2)N1Cc1cccnc1 ZINC000096186342 473328836 /nfs/dbraw/zinc/32/88/36/473328836.db2.gz FJBZQSVTHWAFKW-IRXDYDNUSA-N 0 3 327.453 2.909 40 0 EFABHN Cn1cc(CN2CCc3ncnc(-c4cccc(F)c4)c3CC2)cn1 ZINC000096187645 473329137 /nfs/dbraw/zinc/32/91/37/473329137.db2.gz GCDZRKWSZRZLJK-UHFFFAOYSA-N 0 3 337.402 2.617 40 0 EFABHN O=C1CC[C@H]2[C@H](CCN2Cc2ccccc2)N1CC1CCOCC1 ZINC000096186330 473329625 /nfs/dbraw/zinc/32/96/25/473329625.db2.gz KQXAQJOPGSIRFF-OALUTQOASA-N 0 3 328.456 2.679 40 0 EFABHN CN(C)CCOCc1cncc2c1CCN(Cc1cccs1)C2 ZINC000096189335 473331151 /nfs/dbraw/zinc/33/11/51/473331151.db2.gz CHRLAZLYSBBWFH-UHFFFAOYSA-N 0 3 331.485 2.780 40 0 EFABHN c1csc(COCc2cncc3c2CCN(C[C@H]2CCOC2)C3)n1 ZINC000096189426 473331324 /nfs/dbraw/zinc/33/13/24/473331324.db2.gz IUVHFGHPQSGNCZ-CQSZACIVSA-N 0 3 345.468 2.650 40 0 EFABHN CN(Cc1ccco1)Cc1cncc2c1CCN(C[C@@H]1CCOC1)C2 ZINC000096189520 473331373 /nfs/dbraw/zinc/33/13/73/473331373.db2.gz XDDLQKUWWCZACQ-INIZCTEOSA-N 0 3 341.455 2.701 40 0 EFABHN COCCO[C@@H]1CCN(Cc2ccc(C)s2)[C@H]1Cc1cnn(C)c1 ZINC000096200216 473335231 /nfs/dbraw/zinc/33/52/31/473335231.db2.gz OVBFLGAHHBCJEM-ZWKOTPCHSA-N 0 3 349.500 2.639 40 0 EFABHN Cc1noc(C)c1CN1CC[C@H](OCC2CC2)[C@@H]1Cc1cnn(C)c1 ZINC000096200690 473335947 /nfs/dbraw/zinc/33/59/47/473335947.db2.gz VZMGANSVGIMEBY-OALUTQOASA-N 0 3 344.459 2.637 40 0 EFABHN Cc1noc(C)c1CN1CC[C@@H](OCC2CC2)[C@@H]1Cc1cnn(C)c1 ZINC000096200253 473336157 /nfs/dbraw/zinc/33/61/57/473336157.db2.gz VZMGANSVGIMEBY-RBUKOAKNSA-N 0 3 344.459 2.637 40 0 EFABHN c1cc(CN2CCOC[C@@]3(CCN(Cc4cccnc4)C3)C2)cs1 ZINC000096202099 473338368 /nfs/dbraw/zinc/33/83/68/473338368.db2.gz GOFIWLHKZLSECT-LJQANCHMSA-N 0 3 343.496 2.868 40 0 EFABHN Cc1ccccc1CN1CC[C@]2(C1)C[C@@H](NC(=O)C1CC1)CCO2 ZINC000096206573 473339928 /nfs/dbraw/zinc/33/99/28/473339928.db2.gz PJUDSEMJGUDPFT-AZUAARDMSA-N 0 3 328.456 2.645 40 0 EFABHN c1cc(CN2CCC3(C[C@H](OCC4CCOCC4)CO3)CC2)co1 ZINC000096206498 473340523 /nfs/dbraw/zinc/34/05/23/473340523.db2.gz NEIRNDPGHBGDCD-SFHVURJKSA-N 0 3 335.444 2.846 40 0 EFABHN c1coc(CN2CCC3(CCOC[C@@H]3COc3cnccn3)CC2)c1 ZINC000096216671 473348663 /nfs/dbraw/zinc/34/86/63/473348663.db2.gz FPTDFSAKXGLJOX-MRXNPFEDSA-N 0 3 343.427 2.767 40 0 EFABHN Cc1cccc(CN2C[C@@H]3CN(Cc4ccsc4)CCO[C@@H]3C2)n1 ZINC000096209723 473344279 /nfs/dbraw/zinc/34/42/79/473344279.db2.gz QMVPVCNGNPNXDD-PKOBYXMFSA-N 0 3 343.496 2.784 40 0 EFABHN CO[C@@H]1CCN(Cc2ccsc2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096208825 473344343 /nfs/dbraw/zinc/34/43/43/473344343.db2.gz KOCLSUVSOXBCNR-IPMKNSEASA-N 0 3 343.496 2.864 40 0 EFABHN O=C(C[C@@H]1OC[C@H]2CN(Cc3ccsc3)CC[C@H]21)N1CCCC1 ZINC000096208336 473344449 /nfs/dbraw/zinc/34/44/49/473344449.db2.gz ZMVACJKZOQNMGG-ZACQAIPSSA-N 0 3 334.485 2.598 40 0 EFABHN c1ccc(CN2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)nc1 ZINC000096208387 473345797 /nfs/dbraw/zinc/34/57/97/473345797.db2.gz VGLLHGVAJIKWBW-QUCCMNQESA-N 0 3 338.455 2.960 40 0 EFABHN O=C(N[C@H]1CCO[C@]2(CCN(Cc3ccccc3)C2)C1)N1CCCC1 ZINC000096209325 473345820 /nfs/dbraw/zinc/34/58/20/473345820.db2.gz XLIFRYPYZXPAGC-AZUAARDMSA-N 0 3 343.471 2.616 40 0 EFABHN Cn1cccc1C(=O)N1CCC[C@]2(CCCN2Cc2cccnc2)C1 ZINC000096214900 473346214 /nfs/dbraw/zinc/34/62/14/473346214.db2.gz VRQWZIQBWLJYRX-FQEVSTJZSA-N 0 3 338.455 2.691 40 0 EFABHN CN(C)C(=O)N1CC[C@@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216490 473347355 /nfs/dbraw/zinc/34/73/55/473347355.db2.gz NFVRGRDFZLZWDN-IBGZPJMESA-N 0 3 331.460 2.535 40 0 EFABHN Cc1ccc(N[C@H]2CO[C@]3(CCN(Cc4cccs4)C3)C2)nn1 ZINC000096219495 473351317 /nfs/dbraw/zinc/35/13/17/473351317.db2.gz DAJPQBWOAQOSTH-RHSMWYFYSA-N 0 3 330.457 2.692 40 0 EFABHN O=C(Nc1cccnc1)C1=NO[C@@]2(CCN(CC3CCCCC3)C2)C1 ZINC000096226047 473357012 /nfs/dbraw/zinc/35/70/12/473357012.db2.gz DSPZUUUFGCXVBM-IBGZPJMESA-N 0 3 342.443 2.821 40 0 EFABHN CCN1CCOC[C@@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228867 473359011 /nfs/dbraw/zinc/35/90/11/473359011.db2.gz VBDZNRPKWPJAEK-FQEVSTJZSA-N 0 3 341.455 2.742 40 0 EFABHN O=C(c1ccsc1)N1CCC[C@@]2(C1)COCCN(CC1CC1)C2 ZINC000096228813 473359584 /nfs/dbraw/zinc/35/95/84/473359584.db2.gz WOMYHRHNPXDNNX-GOSISDBHSA-N 0 3 334.485 2.713 40 0 EFABHN O=C1C[C@@]2(CCN(Cc3cccnc3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239054 473360604 /nfs/dbraw/zinc/36/06/04/473360604.db2.gz GXXXALWYROXTEU-LJQANCHMSA-N 0 3 343.377 2.989 40 0 EFABHN O=C1C[C@@]2(CCN(Cc3ccncc3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239056 473360624 /nfs/dbraw/zinc/36/06/24/473360624.db2.gz JSVIEJGIYMYALO-LJQANCHMSA-N 0 3 343.377 2.989 40 0 EFABHN O=C1C[C@]2(CCN(Cc3cccnc3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239053 473360720 /nfs/dbraw/zinc/36/07/20/473360720.db2.gz GXXXALWYROXTEU-IBGZPJMESA-N 0 3 343.377 2.989 40 0 EFABHN Cc1cccc(CN2CC[C@@]3(C2)COCc2cnc(N(C)C)nc23)c1 ZINC000096244002 473362391 /nfs/dbraw/zinc/36/23/91/473362391.db2.gz HFVIAOICEFGKNA-HXUWFJFHSA-N 0 3 338.455 2.525 40 0 EFABHN Cc1nc(CN2CCO[C@H]3CCN(Cc4ccco4)CC[C@@H]32)cs1 ZINC000096249401 473365192 /nfs/dbraw/zinc/36/51/92/473365192.db2.gz RFZHUHIOIKVRKC-ROUUACIJSA-N 0 3 347.484 2.910 40 0 EFABHN Cc1cccc(CN2CC[C@H]3OCCN(c4cccnc4)[C@@H]3CC2)n1 ZINC000096249431 473365564 /nfs/dbraw/zinc/36/55/64/473365564.db2.gz SVYFEFFWIBHZCO-WOJBJXKFSA-N 0 3 338.455 2.655 40 0 EFABHN Cc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2cccnc2)C3)cc1 ZINC000096269344 473369899 /nfs/dbraw/zinc/36/98/99/473369899.db2.gz GZCQGDMAYDZIJZ-SFHVURJKSA-N 0 3 334.423 2.942 40 0 biogenic,in-vitro EFABHN COc1ccc2c3c1O[C@]1(C)C(OC)=CC=C4[C@@H](C2)N(C)CC[C@@]341 ZINC000096316371 473375551 /nfs/dbraw/zinc/37/55/51/473375551.db2.gz KMOSBWXKMZKJPU-XMCHAPAWSA-N 0 3 325.408 2.815 40 0 biogenic,in-vitro EFABHN CS(=O)(=O)CCCNC1(c2ccc(Br)cc2)CCC1 ZINC000083984633 473379480 /nfs/dbraw/zinc/37/94/80/473379480.db2.gz DQJXLWYQLLNHEY-UHFFFAOYSA-N 0 3 346.290 2.853 40 0 EFABHN Cc1cc(NC(=O)C2CC2)sc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000096403560 473379886 /nfs/dbraw/zinc/37/98/86/473379886.db2.gz UPAXSOGRAIZYAR-CQSZACIVSA-N 0 3 347.484 2.715 40 0 EFABHN CC(C)(CNCc1cnc(N2CCOCC2)nc1)c1ccc(F)cc1 ZINC000096403986 473380139 /nfs/dbraw/zinc/38/01/39/473380139.db2.gz QOAZHOXGOCLOHN-UHFFFAOYSA-N 0 3 344.434 2.520 40 0 EFABHN Cc1n[nH]cc1CN[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000096403978 473380328 /nfs/dbraw/zinc/38/03/28/473380328.db2.gz QUGMFNYKKLINNF-CQSZACIVSA-N 0 3 335.249 2.849 40 0 EFABHN O=C(CCNCc1cccc2c[nH]nc21)N1CCc2sccc2C1 ZINC000084019094 473382812 /nfs/dbraw/zinc/38/28/12/473382812.db2.gz SIOISDKVNXGXES-UHFFFAOYSA-N 0 3 340.452 2.689 40 0 EFABHN CCN1CCC[C@@H]1CNC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000000000251 471316945 /nfs/dbraw/zinc/31/69/45/471316945.db2.gz LMXFPUVUUSHCMM-LJQANCHMSA-N 0 3 338.451 2.523 40 0 in-man EFABHN O=C(O[C@@H]1CN2CCC1CC2)[C@@](O)(C1=CCCC1)c1ccccc1 ZINC000001641828 471394942 /nfs/dbraw/zinc/39/49/42/471394942.db2.gz HRGZDUGJXKGXRU-QUCCMNQESA-N 0 3 327.424 2.622 40 0 EFABHN CC1CCN(C[C@H](O)COc2ccccc2Br)CC1 ZINC000002696122 471417342 /nfs/dbraw/zinc/41/73/42/471417342.db2.gz BAZHRJRRYOSFAK-ZDUSSCGKSA-N 0 3 328.250 2.921 40 0 EFABHN COc1ccc(C[C@H]2NCCc3cc(OC)c(OC)cc32)cc1O ZINC000003847375 471455914 /nfs/dbraw/zinc/45/59/14/471455914.db2.gz PBARFBACJNHQIC-OAHLLOKOSA-N 0 3 329.396 2.848 40 0 EFABHN CC[C@@]1(C)C[C@H]([C@H](O)CNCc2ccc(OC)c(OC)c2)CCO1 ZINC000004025607 471458356 /nfs/dbraw/zinc/45/83/56/471458356.db2.gz RMOMIOWOQMAUHS-MDZRGWNJSA-N 0 3 337.460 2.750 40 0 EFABHN CCOC(=O)[C@H]1CCCN(C[C@H](O)COc2cc(C)cc(C)c2C)C1 ZINC000004305225 471462142 /nfs/dbraw/zinc/46/21/42/471462142.db2.gz RGKJDDDODPIFDE-ROUUACIJSA-N 0 3 349.471 2.627 40 0 EFABHN C[C@@H](NC[C@@H](O)COC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000005073477 471485713 /nfs/dbraw/zinc/48/57/13/471485713.db2.gz FCYDSJVNZCQEOT-KBAYOESNSA-N 0 3 343.423 2.555 40 0 EFABHN CC(C)/C=C/[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000005440248 471505310 /nfs/dbraw/zinc/50/53/10/471505310.db2.gz LFEGCLWKAFYJIE-FFQNAWCLSA-N 0 3 329.440 2.724 40 0 EFABHN Cc1cc2oc(=O)cc(C)c2cc1OC[C@H](O)CN1CCCCC1 ZINC000006922336 471578554 /nfs/dbraw/zinc/57/85/54/471578554.db2.gz IKABFWDQUNRTJA-OAHLLOKOSA-N 0 3 331.412 2.635 40 0 EFABHN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCCCCC1 ZINC000007222095 471599408 /nfs/dbraw/zinc/59/94/08/471599408.db2.gz NKOYSXFXXHQOBQ-INIZCTEOSA-N 0 3 331.460 2.726 40 0 EFABHN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNC3CC3)o2)c1 ZINC000007540713 471620942 /nfs/dbraw/zinc/62/09/42/471620942.db2.gz OGFOBNFRAIVMEX-UHFFFAOYSA-N 0 3 329.352 2.772 40 0 EFABHN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CNC1CCCC1 ZINC000008038416 471657051 /nfs/dbraw/zinc/65/70/51/471657051.db2.gz ZVYVRPWNEZMKPF-UHFFFAOYSA-N 0 3 343.452 2.985 40 0 EFABHN O=C1NC[C@]2(CCCN(CCc3ccccc3)C2)Oc2ccccc21 ZINC000012086790 471763940 /nfs/dbraw/zinc/76/39/40/471763940.db2.gz RBEJOPKINPIWEV-NRFANRHFSA-N 0 3 336.435 2.886 40 0 EFABHN Fc1ccc(CN2CCC[C@H]2Cn2nnc(-c3ccncc3)n2)cc1 ZINC000012142285 471766112 /nfs/dbraw/zinc/76/61/12/471766112.db2.gz QGFQTSUMQAUSNB-KRWDZBQOSA-N 0 3 338.390 2.539 40 0 EFABHN CC1CCN(C[C@@H](O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1 ZINC000012181044 471767611 /nfs/dbraw/zinc/76/76/11/471767611.db2.gz CXEQDEYROKSWSL-LJQANCHMSA-N 0 3 328.456 2.751 40 0 EFABHN CC(=O)NC1(c2ccccc2)CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000012188271 471767681 /nfs/dbraw/zinc/76/76/81/471767681.db2.gz YWCYSIFSTOUEPW-HXUWFJFHSA-N 0 3 338.451 2.847 40 0 EFABHN CC[C@@H](CN1CCCCC1)NC(=O)Cc1ccc2c(c1)OCCCO2 ZINC000012239781 471769449 /nfs/dbraw/zinc/76/94/49/471769449.db2.gz JQHRPLQCKSVCPG-KRWDZBQOSA-N 0 3 346.471 2.771 40 0 EFABHN COc1ccc([C@@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012292458 471770193 /nfs/dbraw/zinc/77/01/93/471770193.db2.gz PVTATJMUURQHFF-IBGZPJMESA-N 0 3 345.414 2.851 40 0 EFABHN COc1ccccc1C1(O)CCN(C[C@H](O)c2ccc(F)cc2)CC1 ZINC000012327763 471772501 /nfs/dbraw/zinc/77/25/01/471772501.db2.gz LYPAUJAVJMFIOB-SFHVURJKSA-N 0 3 345.414 2.851 40 0 EFABHN O[C@H](CN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000012327751 471772524 /nfs/dbraw/zinc/77/25/24/471772524.db2.gz GFESFKXHXLJVNM-GOSISDBHSA-N 0 3 333.378 2.982 40 0 EFABHN Cc1cc2nc([C@@H]3CCCN(Cc4ccc(O)cc4)C3)cc(N)n2n1 ZINC000012667337 471788726 /nfs/dbraw/zinc/78/87/26/471788726.db2.gz AJSMCEJNMHBPKG-OAHLLOKOSA-N 0 3 337.427 2.705 40 0 EFABHN O=C([C@@H]1CCCN(C[C@H](O)c2cccs2)C1)N1CCCCCC1 ZINC000019342963 471979711 /nfs/dbraw/zinc/97/97/11/471979711.db2.gz JNIBHYAJTCUVJN-CVEARBPZSA-N 0 3 336.501 2.896 40 0 EFABHN CC(=O)N1CCCCC[C@@H]2[C@@H]1CCN2Cc1cccnc1N(C)C ZINC000019712038 471983134 /nfs/dbraw/zinc/98/31/34/471983134.db2.gz FXTCVAQYMJGTPO-MSOLQXFVSA-N 0 3 330.476 2.513 40 0 EFABHN CNc1cc(CN(C)Cc2cccc(C)c2)nc([C@@H]2CCCN2)n1 ZINC000019760082 471983997 /nfs/dbraw/zinc/98/39/97/471983997.db2.gz SZUNRHTYDBAZLR-KRWDZBQOSA-N 0 3 325.460 2.883 40 0 EFABHN CNc1cc(CN(C)Cc2ccc(F)cc2)nc([C@@H]2CCCN2)n1 ZINC000019759808 471984762 /nfs/dbraw/zinc/98/47/62/471984762.db2.gz DHYOPPITHNRYFZ-INIZCTEOSA-N 0 3 329.423 2.714 40 0 EFABHN c1nn(Cc2ccccc2)c2ncnc(NCCN3CCCCC3)c12 ZINC000036729322 472004804 /nfs/dbraw/zinc/00/48/04/472004804.db2.gz MIVGMUVSKPWYTO-UHFFFAOYSA-N 0 3 336.443 2.772 40 0 EFABHN CN1C(=O)c2ccccc2[C@H](O)[C@@]2(C)CN(Cc3ccccc3)C[C@H]12 ZINC000036743753 472005523 /nfs/dbraw/zinc/00/55/23/472005523.db2.gz CDVBKHQCSLCOAU-ZJOUEHCJSA-N 0 3 336.435 2.696 40 0 EFABHN COc1ccc(CCNC(=S)NC[C@H](C)N2CCCC[C@@H]2C)cc1 ZINC000036847512 472007515 /nfs/dbraw/zinc/00/75/15/472007515.db2.gz FWSQFPQSUBOLNV-HOTGVXAUSA-N 0 3 349.544 2.965 40 0 EFABHN CN(C)Cc1ccccc1CNC(=O)Cc1cnn(-c2ccccc2)c1 ZINC000040039693 472026465 /nfs/dbraw/zinc/02/64/65/472026465.db2.gz GTLPUSAJOVDMCL-UHFFFAOYSA-N 0 3 348.450 2.793 40 0 EFABHN O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000040464619 472033323 /nfs/dbraw/zinc/03/33/23/472033323.db2.gz MQRHMFSVQILKSB-QGZVFWFLSA-N 0 3 348.450 2.886 40 0 EFABHN CC(C)N1CCCN(C(=O)c2ncccc2OCC(F)(F)F)CC1 ZINC000084187296 472154762 /nfs/dbraw/zinc/15/47/62/472154762.db2.gz NXQSIROWDBPGRW-UHFFFAOYSA-N 0 3 345.365 2.579 40 0 EFABHN CC(C)Oc1cccc([C@H](C)NC(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000117032525 472451807 /nfs/dbraw/zinc/45/18/07/472451807.db2.gz LREZYYSOHHRBNE-MAUKXSAKSA-N 0 3 349.475 2.507 40 0 EFABHN CCc1ccc([C@H](CNC(=O)[C@H]2Cc3ccccc3O2)N(C)C)cc1 ZINC000032733735 472461870 /nfs/dbraw/zinc/46/18/70/472461870.db2.gz KBEDORKVUMNQLZ-AZUAARDMSA-N 0 3 338.451 2.972 40 0 EFABHN COC(=O)c1coc(C(=O)N2CCC[C@@H](N3CCCCCC3)C2)c1 ZINC000097376436 472493157 /nfs/dbraw/zinc/49/31/57/472493157.db2.gz JUEWTWYIQHWLRQ-OAHLLOKOSA-N 0 3 334.416 2.547 40 0 EFABHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC1=CCOCC1 ZINC000097378424 472494386 /nfs/dbraw/zinc/49/43/86/472494386.db2.gz VVUZWWUATXCKBM-LPHOPBHVSA-N 0 3 343.471 2.543 40 0 EFABHN Cc1ccc(CN2C[C@H](C(=O)NCC3CC3)C[C@H]3OCC[C@H]32)cc1 ZINC000097953406 472512534 /nfs/dbraw/zinc/51/25/34/472512534.db2.gz FMLBVXOTFPZJFV-GUDVDZBRSA-N 0 3 328.456 2.501 40 0 EFABHN O=C1CCCN1CCCNCc1cc(F)ccc1Br ZINC000090168087 472605324 /nfs/dbraw/zinc/60/53/24/472605324.db2.gz ZFXNCPRNKIPJRV-UHFFFAOYSA-N 0 3 329.213 2.690 40 0 EFABHN c1ccc2c(c1)CCCC[C@@H]2NCc1cnc(N2CCOCC2)nc1 ZINC000078394273 472710399 /nfs/dbraw/zinc/71/03/99/472710399.db2.gz ZCYOIRDTNVAWDO-IBGZPJMESA-N 0 3 338.455 2.871 40 0 EFABHN O=C(c1csc(-c2ccoc2)n1)N1CCN(c2ccncc2)CC1 ZINC000078671501 472752127 /nfs/dbraw/zinc/75/21/27/472752127.db2.gz YNEBXLGHQRLBDP-UHFFFAOYSA-N 0 3 340.408 2.761 40 0 EFABHN CC(=O)NCc1ccc(C(=O)Nc2cnccc2N2CCCCC2)o1 ZINC000079041141 472809618 /nfs/dbraw/zinc/80/96/18/472809618.db2.gz MGQOBAMDGNZOGX-UHFFFAOYSA-N 0 3 342.399 2.553 40 0 EFABHN CC(=O)NCc1ccc(C(=O)[N-]c2c[nH+]ccc2N2CCCCC2)o1 ZINC000079041141 472809623 /nfs/dbraw/zinc/80/96/23/472809623.db2.gz MGQOBAMDGNZOGX-UHFFFAOYSA-N 0 3 342.399 2.553 40 0 EFABHN C[C@H](OC[C@H]1CCCO1)C(=O)Nc1cnccc1N1CCCCC1 ZINC000079041077 472810050 /nfs/dbraw/zinc/81/00/50/472810050.db2.gz JZKSVNRXORBCPQ-LSDHHAIUSA-N 0 3 333.432 2.595 40 0 EFABHN Cc1nnc2ccc(NC[C@@H]3CCCN(C)[C@@H]3c3ccccc3)nn12 ZINC000079089950 472817788 /nfs/dbraw/zinc/81/77/88/472817788.db2.gz AHRGWWBWFOIISE-QFBILLFUSA-N 0 3 336.443 2.928 40 0 EFABHN CC(=O)N1CCN(C(=O)[C@H](C)N[C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000073619612 472840166 /nfs/dbraw/zinc/84/01/66/472840166.db2.gz PWEUTSDWPKNYIK-CVEARBPZSA-N 0 3 345.487 2.540 40 0 EFABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000073743275 472866298 /nfs/dbraw/zinc/86/62/98/472866298.db2.gz NVFXMJRRAQMWFI-CQSZACIVSA-N 0 3 331.460 2.523 40 0 EFABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000073743312 472866779 /nfs/dbraw/zinc/86/67/79/472866779.db2.gz LLJQXLOLNPSYTN-INIZCTEOSA-N 0 3 331.460 2.523 40 0 EFABHN C[C@H]1C[C@H](NC(=O)Nc2cnn(C)c2)CCN1Cc1ccccc1 ZINC000079778793 472922067 /nfs/dbraw/zinc/92/20/67/472922067.db2.gz VAFDTSLKQUGORT-GOEBONIOSA-N 0 3 327.432 2.595 40 0 EFABHN CN(C)C(=O)OCCNC1(c2ccc(Cl)cc2)CCOCC1 ZINC000159128702 472999959 /nfs/dbraw/zinc/99/99/59/472999959.db2.gz CBOHYJBEWXTIDE-UHFFFAOYSA-N 0 3 326.824 2.634 40 0 EFABHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(Oc2ccccc2)o1 ZINC000110661870 473169618 /nfs/dbraw/zinc/16/96/18/473169618.db2.gz MVKUORFKUHHYEP-HOCLYGCPSA-N 0 3 342.395 2.665 40 0 EFABHN C[C@H](C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)n1cccn1 ZINC000096423080 473401099 /nfs/dbraw/zinc/40/10/99/473401099.db2.gz ZKCXIAUNGKQOHT-YCPHGPKFSA-N 0 3 332.473 2.705 40 0 EFABHN CN1CCC[C@H](CNC(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000096426456 473404900 /nfs/dbraw/zinc/40/49/00/473404900.db2.gz QLUZGCJLVFMORQ-MRXNPFEDSA-N 0 3 339.439 2.732 40 0 EFABHN CN1CCC[C@H](CNC(=O)c2ccc(F)c(COCC3CC3)c2)C1 ZINC000096430957 473409376 /nfs/dbraw/zinc/40/93/76/473409376.db2.gz LPRGMBQYWCYVBJ-OAHLLOKOSA-N 0 3 334.435 2.824 40 0 EFABHN CN1CCC(NC(=O)/C=C/c2csc(Br)c2)CC1 ZINC000096445222 473422090 /nfs/dbraw/zinc/42/20/90/473422090.db2.gz ZHIFVZUHXUOZEG-NSCUHMNNSA-N 0 3 329.263 2.734 40 0 EFABHN CCN1CCN(CCC(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000096445550 473424092 /nfs/dbraw/zinc/42/40/92/473424092.db2.gz FCALPMOWVWGKNR-UZLBHIALSA-N 0 3 347.478 2.763 40 0 EFABHN CCc1nc(C(=O)N(Cc2ccccc2F)C2CCN(C)CC2)c[nH]1 ZINC000096454307 473429928 /nfs/dbraw/zinc/42/99/28/473429928.db2.gz CDZROTOENDVRED-UHFFFAOYSA-N 0 3 344.434 2.848 40 0 EFABHN CCn1ccc2ccc(NC(=O)NCCN3CCC(OC)CC3)cc21 ZINC000096456576 473432354 /nfs/dbraw/zinc/43/23/54/473432354.db2.gz MRVOLWAKKMBMQX-UHFFFAOYSA-N 0 3 344.459 2.894 40 0 EFABHN C[S@@](=O)c1ccc(CNCc2cccc(-n3ccnc3)c2)cc1 ZINC000096461185 473433461 /nfs/dbraw/zinc/43/34/61/473433461.db2.gz DMZXWOSWKXYAPW-QHCPKHFHSA-N 0 3 325.437 2.900 40 0 EFABHN O=C(NC1CCN(C2CC2)CC1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000096466985 473434867 /nfs/dbraw/zinc/43/48/67/473434867.db2.gz WXWLQJZDLYVMSR-IRXDYDNUSA-N 0 3 347.459 2.504 40 0 EFABHN CC(C)C[C@@H](NC[C@]1(N2CCOCC2)CCSC1)c1ccccn1 ZINC000096476703 473439958 /nfs/dbraw/zinc/43/99/58/473439958.db2.gz IKFXIBVLIMSLOT-RTBURBONSA-N 0 3 349.544 2.966 40 0 EFABHN C[C@H](NC[C@@H]1CCCS1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000096479286 473441061 /nfs/dbraw/zinc/44/10/61/473441061.db2.gz HEBOVJSZCSHYDP-BBRMVZONSA-N 0 3 340.514 2.773 40 0 EFABHN CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000096481296 473441095 /nfs/dbraw/zinc/44/10/95/473441095.db2.gz MYYRBPSAVQCOHX-NSHDSACASA-N 0 3 343.374 2.690 40 0 EFABHN Cc1cnc(N2CCC[C@@H](CN(C)Cc3cccnc3)C2)nc1C ZINC000096486642 473444961 /nfs/dbraw/zinc/44/49/61/473444961.db2.gz VZLQZIPBGNMELX-SFHVURJKSA-N 0 3 325.460 2.837 40 0 EFABHN C[C@H](CS(C)(=O)=O)NCC1(c2ccccc2Br)CC1 ZINC000096491668 473447967 /nfs/dbraw/zinc/44/79/67/473447967.db2.gz RQZYWLIPXYQQEA-LLVKDONJSA-N 0 3 346.290 2.503 40 0 EFABHN Cn1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(C(F)(F)F)n1 ZINC000096493467 473448782 /nfs/dbraw/zinc/44/87/82/473448782.db2.gz LGMYJLYHTIZIQE-YUTCNCBUSA-N 0 3 329.366 2.876 40 0 EFABHN C[C@H]1C[C@H](NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)CN1C1CC1 ZINC000096494729 473450971 /nfs/dbraw/zinc/45/09/71/473450971.db2.gz OJWDBIMJXXMDKB-JQWIXIFHSA-N 0 3 341.377 2.871 40 0 EFABHN COc1ccc([C@H](CN2CCCC2)NC(=O)C2=COCCC2)cc1 ZINC000096499924 473452001 /nfs/dbraw/zinc/45/20/01/473452001.db2.gz CMAJGSIXQGCGCA-SFHVURJKSA-N 0 3 330.428 2.643 40 0 EFABHN COc1cc(-c2ccccc2)ccc1CNC[C@H]1CCS(=O)(=O)C1 ZINC000096500608 473452537 /nfs/dbraw/zinc/45/25/37/473452537.db2.gz IEJVPZWHGMVKKS-OAHLLOKOSA-N 0 3 345.464 2.887 40 0 EFABHN C[C@@H]1CN(C(=O)c2ccnc(OCCN(C)C)c2)c2ccccc21 ZINC000096500619 473453356 /nfs/dbraw/zinc/45/33/56/473453356.db2.gz HJFJTWZFDHZZSM-CQSZACIVSA-N 0 3 325.412 2.786 40 0 EFABHN Cc1cc(NC(=O)CN2CCN(C[C@@H]3C(C)=CCC[C@@H]3C)CC2)no1 ZINC000191044208 473464336 /nfs/dbraw/zinc/46/43/36/473464336.db2.gz RCALACLHHJWBRW-DOTOQJQBSA-N 0 3 346.475 2.532 40 0 EFABHN CN(C(=O)Nc1ccc(OCCN2CCCCC2)cc1)[C@H]1CCOC1 ZINC000127373204 473604941 /nfs/dbraw/zinc/60/49/41/473604941.db2.gz IPXKUYSWPCGBSW-KRWDZBQOSA-N 0 3 347.459 2.804 40 0 EFABHN Cc1nc2n(n1)CCC[C@@H]2N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000245952079 473767206 /nfs/dbraw/zinc/76/72/06/473767206.db2.gz LIMXGPNKFZCNHR-KKUMJFAQSA-N 0 3 349.479 2.704 40 0 EFABHN C[C@@H](NC(=O)NCC1CCN(c2ccncc2)CC1)c1nccs1 ZINC000180334320 473855108 /nfs/dbraw/zinc/85/51/08/473855108.db2.gz GKCRGLFEYWFAKV-CYBMUJFWSA-N 0 3 345.472 2.815 40 0 EFABHN CC(=O)c1ccc(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000180434201 473876197 /nfs/dbraw/zinc/87/61/97/473876197.db2.gz OMWJUWFBPIJLDC-GJZGRUSLSA-N 0 3 331.460 2.610 40 0 EFABHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc3ncccc32)[C@@H](C)C1 ZINC000195530981 474090211 /nfs/dbraw/zinc/09/02/11/474090211.db2.gz SWBYJJDDYXSHNL-YOEHRIQHSA-N 0 3 347.484 2.586 40 0 EFABHN CN1CCC[C@@H](CNC(=O)N2CC[C@@H](COCc3ccccc3)C2)C1 ZINC000195531999 474090341 /nfs/dbraw/zinc/09/03/41/474090341.db2.gz JLPJSNZCSGRQRN-RBUKOAKNSA-N 0 3 345.487 2.577 40 0 EFABHN CCN1CCCC[C@H]1C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000195530938 474090359 /nfs/dbraw/zinc/09/03/59/474090359.db2.gz HRZRBEIPJPMQGE-MOPGFXCFSA-N 0 3 330.472 2.926 40 0 EFABHN CC(C)(CN[C@H]1CCc2c1cc(Br)cc2F)C(N)=O ZINC000195558818 474096590 /nfs/dbraw/zinc/09/65/90/474096590.db2.gz XCETYRJPSWZLON-LBPRGKRZSA-N 0 3 329.213 2.677 40 0 EFABHN CN1CCC[C@H](CN[C@@H](C(N)=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000195531268 474090613 /nfs/dbraw/zinc/09/06/13/474090613.db2.gz MUAFWYMDBAZTJO-KBAYOESNSA-N 0 3 343.496 2.947 40 0 EFABHN Cc1ccc(CNC(=O)[C@]2(C)CCCCN2)c(OC[C@@H]2CCOC2)c1 ZINC000195556997 474094946 /nfs/dbraw/zinc/09/49/46/474094946.db2.gz SVCDHVLTFJEZPA-UZLBHIALSA-N 0 3 346.471 2.559 40 0 EFABHN Cc1nc(CN[C@H](C)CCN2C(=O)c3ccccc3C2=O)sc1C ZINC000195566400 474097051 /nfs/dbraw/zinc/09/70/51/474097051.db2.gz XWGVBCQWXRWYAR-LLVKDONJSA-N 0 3 343.452 2.924 40 0 EFABHN COc1ccc(N2N=C(N)C[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000222549787 474171382 /nfs/dbraw/zinc/17/13/82/474171382.db2.gz KFLSSOLREWDWQT-HNNXBMFYSA-N 0 3 327.384 2.936 40 0 EFABHN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)o1 ZINC000223252488 474182225 /nfs/dbraw/zinc/18/22/25/474182225.db2.gz RKHOSICRNLLGDG-JKSUJKDBSA-N 0 3 330.457 2.517 40 0 EFABHN Cc1nnsc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000225418108 474211116 /nfs/dbraw/zinc/21/11/16/474211116.db2.gz YZSFABCRSHPGQK-CJNGLKHVSA-N 0 3 344.484 2.829 40 0 EFABHN COc1ccc([C@@H](CN2CCCC2)NC(=O)C[C@@H]2CCCOC2)cc1 ZINC000225423068 474211545 /nfs/dbraw/zinc/21/15/45/474211545.db2.gz HPQBTNJYRQYEOM-QFBILLFUSA-N 0 3 346.471 2.765 40 0 EFABHN COC(=O)C1CCC(N[C@@H](c2nnc3ccccn32)C(C)C)CC1 ZINC000225423953 474212578 /nfs/dbraw/zinc/21/25/78/474212578.db2.gz ITBZYZPEEOGIOO-ZBCRRDGASA-N 0 3 330.432 2.748 40 0 EFABHN COCC[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000225468105 474215703 /nfs/dbraw/zinc/21/57/03/474215703.db2.gz WTUVWZFRZWPYCB-XJKSGUPXSA-N 0 3 345.892 2.832 40 0 EFABHN Cc1cc(CN2CCC(CNC(=O)NC[C@@H]3CCCO3)CC2)c(C)o1 ZINC000225553578 474224042 /nfs/dbraw/zinc/22/40/42/474224042.db2.gz KKVQQDKRBXBTGO-SFHVURJKSA-N 0 3 349.475 2.587 40 0 EFABHN O=C(c1cnccn1)N1CCC(NCc2sccc2Cl)CC1 ZINC000225610777 474228725 /nfs/dbraw/zinc/22/87/25/474228725.db2.gz NONBJZGHFXMANN-UHFFFAOYSA-N 0 3 336.848 2.586 40 0 EFABHN O=C([C@H]1CCCN1CCCCC1CCOCC1)N1CCSCC1 ZINC000225626734 474230359 /nfs/dbraw/zinc/23/03/59/474230359.db2.gz XKTAVLGFWCUZEQ-QGZVFWFLSA-N 0 3 340.533 2.623 40 0 EFABHN Cc1nc(CN2CCO[C@@H]3CCN(Cc4ccoc4)CC[C@H]32)cs1 ZINC000247997419 474242655 /nfs/dbraw/zinc/24/26/55/474242655.db2.gz AQIJKKNHIMJDJT-QZTJIDSGSA-N 0 3 347.484 2.910 40 0 EFABHN COc1ccccc1[C@]1(O)CCC[C@@H]2CN(Cc3ccnn3C)C[C@@H]21 ZINC000248025228 474246689 /nfs/dbraw/zinc/24/66/89/474246689.db2.gz JILHQMTWRIDWPC-MOXGXCLJSA-N 0 3 341.455 2.548 40 0 EFABHN Cc1nc(CN2CCO[C@@H]3CCN(Cc4ccco4)CC[C@H]32)cs1 ZINC000248048001 474251591 /nfs/dbraw/zinc/25/15/91/474251591.db2.gz RFZHUHIOIKVRKC-QZTJIDSGSA-N 0 3 347.484 2.910 40 0 EFABHN CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(Cc1ccsc1)C2 ZINC000248047963 474251724 /nfs/dbraw/zinc/25/17/24/474251724.db2.gz MTCGWDNPIHAOMY-AEFFLSMTSA-N 0 3 344.484 2.798 40 0 EFABHN CN(C)CCS[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189064256 474279324 /nfs/dbraw/zinc/27/93/24/474279324.db2.gz PRFDVHZGBAAIJC-OAHLLOKOSA-N 0 3 328.428 2.751 40 0 EFABHN O=C1[C@H](N[C@@H]2CCOC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000183031710 474310370 /nfs/dbraw/zinc/31/03/70/474310370.db2.gz UQGSGIOJEHATAO-HUUCEWRRSA-N 0 3 342.361 2.575 40 0 EFABHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)c1cc2ccccn2c1 ZINC000245343881 474574739 /nfs/dbraw/zinc/57/47/39/474574739.db2.gz WGZOUMLDLMNRQY-ATZDWAIDSA-N 0 3 341.455 2.559 40 0 EFABHN CO[C@H](CN(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000252489975 474674952 /nfs/dbraw/zinc/67/49/52/474674952.db2.gz KGPAQTQHSRUBCN-KBXCAEBGSA-N 0 3 348.468 2.715 40 0 EFABHN CO[C@@H](CN(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000252489976 474674984 /nfs/dbraw/zinc/67/49/84/474674984.db2.gz KGPAQTQHSRUBCN-KDOFPFPSSA-N 0 3 348.468 2.715 40 0 EFABHN CC[C@H](O)CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000252506613 474685812 /nfs/dbraw/zinc/68/58/12/474685812.db2.gz WBPNEIKPXCJOBE-AWEZNQCLSA-N 0 3 331.287 2.924 40 0 EFABHN COC(=O)CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000252511301 474689746 /nfs/dbraw/zinc/68/97/46/474689746.db2.gz ZXGVCFUBRPSVAM-RDJZCZTQSA-N 0 3 346.471 2.745 40 0 EFABHN CC(C)CN1CCN2[C@@H](C1)CN(C(=O)c1ccccc1F)CC2(C)C ZINC000253408578 474741927 /nfs/dbraw/zinc/74/19/27/474741927.db2.gz YFOYYPMNYVRRGP-INIZCTEOSA-N 0 3 347.478 2.702 40 0 biogenic,in-vitro EFABHN C[C@@H](c1ccccc1)N1CCC(N2C(=O)[C@@H]3CCCN3C2=O)CC1 ZINC000253420232 474747605 /nfs/dbraw/zinc/74/76/05/474747605.db2.gz JFEACUCBOJSTTD-YOEHRIQHSA-N 0 3 327.428 2.639 40 0 EFABHN Cc1ccc(F)c(CN(C)C(=O)[C@@H]2CCCN2C2CCOCC2)c1 ZINC000253426467 474750769 /nfs/dbraw/zinc/75/07/69/474750769.db2.gz GYVNJOMYDIYUGC-SFHVURJKSA-N 0 3 334.435 2.736 40 0 EFABHN CCOc1ccc(CN[C@H]2CCCN(c3ncccn3)C2)cc1F ZINC000253430773 474756876 /nfs/dbraw/zinc/75/68/76/474756876.db2.gz OAHYVPQPFBBVSG-HNNXBMFYSA-N 0 3 330.407 2.773 40 0 EFABHN Nc1cc(CN2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)ccn1 ZINC000253432471 474758513 /nfs/dbraw/zinc/75/85/13/474758513.db2.gz KNJYCDAIHUDZBK-LLVKDONJSA-N 0 3 325.338 2.785 40 0 EFABHN Cc1cc(-c2snnc2[C@H]2CCCN(C[C@H]3CCOC3)C2)on1 ZINC000253600307 474771447 /nfs/dbraw/zinc/77/14/47/474771447.db2.gz NFIQCQLVOZRRFG-OLZOCXBDSA-N 0 3 334.445 2.717 40 0 EFABHN CC(C)CNC(=O)c1nc2c(s1)C[C@H](NCc1ccoc1)CC2 ZINC000306129398 474808062 /nfs/dbraw/zinc/80/80/62/474808062.db2.gz IBWQTEVDXCFGGF-CYBMUJFWSA-N 0 3 333.457 2.769 40 0 EFABHN C[C@@H]1C[C@H]1C(=O)N1CC2(C1)C[C@H](COCC1CC1)CCN2CC1CC1 ZINC000306128515 474808107 /nfs/dbraw/zinc/80/81/07/474808107.db2.gz HCWSWOIDALXQKT-ATZDWAIDSA-N 0 3 346.515 2.772 40 0 EFABHN Cc1cccc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N3CC(F)(F)C3)C2)n1 ZINC000306137196 474810095 /nfs/dbraw/zinc/81/00/95/474810095.db2.gz QOLSYEQQKSEEJX-AEFFLSMTSA-N 0 3 349.425 2.860 40 0 EFABHN FC(F)(F)c1cccc(OCCc2cc([C@@H]3CNCCO3)n[nH]2)c1 ZINC000257283079 474929877 /nfs/dbraw/zinc/92/98/77/474929877.db2.gz OWRZAEPCQLUVCE-HNNXBMFYSA-N 0 3 341.333 2.711 40 0 EFABHN CNc1cc([C@H]2CCCN2Cc2cccc(OCCO)c2)ccn1 ZINC000257286109 474932907 /nfs/dbraw/zinc/93/29/07/474932907.db2.gz PKHYXIFQHLXDQA-GOSISDBHSA-N 0 3 327.428 2.832 40 0 EFABHN Cc1ccncc1CN1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257289045 474935160 /nfs/dbraw/zinc/93/51/60/474935160.db2.gz PWSWVBWVBLLPTE-MRXNPFEDSA-N 0 3 334.427 2.745 40 0 EFABHN c1c[nH]c(-c2cc(C[C@H]3CCCN(Cc4cccnc4)C3)ncn2)n1 ZINC000257292074 474936026 /nfs/dbraw/zinc/93/60/26/474936026.db2.gz QJWMOYKQCSUPSS-OAHLLOKOSA-N 0 3 334.427 2.716 40 0 EFABHN Cc1cncc(CN2CCC[C@@H]2c2nc(C)ncc2CN(C)C)c1 ZINC000257297160 474938362 /nfs/dbraw/zinc/93/83/62/474938362.db2.gz RGDMEFAHZUCSPY-GOSISDBHSA-N 0 3 325.460 2.887 40 0 EFABHN CN(C)Cc1cnc(CC2CCN(CCC(F)(F)F)CC2)cn1 ZINC000257300256 474940507 /nfs/dbraw/zinc/94/05/07/474940507.db2.gz RTQMDESREKNWES-UHFFFAOYSA-N 0 3 330.398 2.745 40 0 EFABHN CNC(=O)c1sc2nc([C@H]3CCCN3CC3CC3)ccc2c1N ZINC000257306064 474942414 /nfs/dbraw/zinc/94/24/14/474942414.db2.gz SSTOLYULGADIAH-CYBMUJFWSA-N 0 3 330.457 2.785 40 0 EFABHN Cn1cc(CN2CCN(C)C[C@H](Cc3cccc4ncccc34)C2)cn1 ZINC000257316622 474949639 /nfs/dbraw/zinc/94/96/39/474949639.db2.gz VGJCDWDPXRSQDO-KRWDZBQOSA-N 0 3 349.482 2.575 40 0 EFABHN Cn1cncc1-c1nccnc1C1CCN(Cc2cccnc2)CC1 ZINC000257318305 474951170 /nfs/dbraw/zinc/95/11/70/474951170.db2.gz VNHRQJKHGWTORB-UHFFFAOYSA-N 0 3 334.427 2.652 40 0 EFABHN NC(=O)[C@]1(CCCc2ccccn2)CCCN(Cc2cccnc2)C1 ZINC000257319675 474951901 /nfs/dbraw/zinc/95/19/01/474951901.db2.gz VTOMSEIJDYLAJE-HXUWFJFHSA-N 0 3 338.455 2.567 40 0 EFABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2ccc(C)s2)c1 ZINC000257330248 474957177 /nfs/dbraw/zinc/95/71/77/474957177.db2.gz XNOIADIHAFJVJW-QGZVFWFLSA-N 0 3 329.469 2.563 40 0 EFABHN CCOc1ncccc1C(=O)N1CC[C@H](c2cc(NC)cc(C)n2)C1 ZINC000257335272 474962202 /nfs/dbraw/zinc/96/22/02/474962202.db2.gz YJKYDMPBUIMEIM-AWEZNQCLSA-N 0 3 340.427 2.855 40 0 EFABHN Cc1cccc(N2CCC(Cc3cnc(CN(C)C)cn3)CC2)n1 ZINC000257344656 474965759 /nfs/dbraw/zinc/96/57/59/474965759.db2.gz ZYELKOAQEORJSU-UHFFFAOYSA-N 0 3 325.460 2.701 40 0 EFABHN C[C@H]1C[C@@H](c2nc([C@H]3CC(=O)N(c4ccccc4)C3)no2)CCN1C ZINC000333737653 476016101 /nfs/dbraw/zinc/01/61/01/476016101.db2.gz XCUIKFSOCYDIIR-KKUMJFAQSA-N 0 3 340.427 2.788 40 0 EFABHN COCc1cc(CNCC(C)(C)N2CCc3ccccc3C2)no1 ZINC000298260460 476037135 /nfs/dbraw/zinc/03/71/35/476037135.db2.gz FNELSIPTDCIJSJ-UHFFFAOYSA-N 0 3 329.444 2.748 40 0 EFABHN CN(C)C(=O)COCC[C@H]1Cn2cccc2CN(CC2CCCC2)C1 ZINC000585095513 479280422 /nfs/dbraw/zinc/28/04/22/479280422.db2.gz UXQOHPXMWXHQQJ-GOSISDBHSA-N 0 3 347.503 2.605 40 0 EFABHN Cc1ccc(-c2n[nH]c3c2CCN(C(=O)CN(C)C(C)C)CC3)cc1 ZINC000585110418 479287801 /nfs/dbraw/zinc/28/78/01/479287801.db2.gz SDPHOVBCUDDGCE-UHFFFAOYSA-N 0 3 340.471 2.653 40 0 EFABHN Cc1ccccc1-c1n[nH]c2c1CCN(C(=O)CN(C)C(C)C)CC2 ZINC000585110381 479287853 /nfs/dbraw/zinc/28/78/53/479287853.db2.gz NDJFCWDJPVJBIV-UHFFFAOYSA-N 0 3 340.471 2.653 40 0 EFABHN CC(C)(C)OC(=O)N1CCC(N(CCCO)Cc2ccccn2)CC1 ZINC000585141534 479298598 /nfs/dbraw/zinc/29/85/98/479298598.db2.gz WUIMIWPPFZYIAW-UHFFFAOYSA-N 0 3 349.475 2.666 40 0 EFABHN Cn1cncc1CN1CC[C@@H]2O[C@@](C)(COc3ccccc3)C[C@@H]2C1 ZINC000585262368 479303303 /nfs/dbraw/zinc/30/33/03/479303303.db2.gz FDNYNTUVJPQSDS-LSTHTHJFSA-N 0 3 341.455 2.869 40 0 EFABHN CN1CCN(Cc2cc[nH]n2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000585261129 479303595 /nfs/dbraw/zinc/30/35/95/479303595.db2.gz GCQSMJIFNTYVJT-MRXNPFEDSA-N 0 3 335.455 2.564 40 0 EFABHN CO[C@]1(COc2ccc(F)cc2)CCN(Cc2c(C)n[nH]c2C)C1 ZINC000585275905 479306137 /nfs/dbraw/zinc/30/61/37/479306137.db2.gz GNIFHJCDTIXCIC-GOSISDBHSA-N 0 3 333.407 2.836 40 0 EFABHN Cc1cc(OC[C@@]2(O)COCCN(C3CCCCC3)C2)ccc1F ZINC000585284588 479308161 /nfs/dbraw/zinc/30/81/61/479308161.db2.gz YQLISZCCWSOUJT-IBGZPJMESA-N 0 3 337.435 2.909 40 0 EFABHN O[C@@H]1[C@@H](CNCc2cccnc2)CCC[C@H]1Oc1cccc(F)c1 ZINC000585287241 479309043 /nfs/dbraw/zinc/30/90/43/479309043.db2.gz VFKASSYMOPGYDH-ATZDWAIDSA-N 0 3 330.403 2.919 40 0 EFABHN COc1ccccc1CN1C[C@H](c2ccc(Cl)cc2)[C@@H](O)[C@H]1CO ZINC000585292995 479310892 /nfs/dbraw/zinc/31/08/92/479310892.db2.gz QUNBPVFGBRAJPZ-ZHALLVOQSA-N 0 3 347.842 2.670 40 0 EFABHN CN(C)CCn1ccc(NC(=O)NCc2ccc3occc3c2)n1 ZINC000666184344 482213619 /nfs/dbraw/zinc/21/36/19/482213619.db2.gz AEMNBJHETYFYSA-UHFFFAOYSA-N 0 3 327.388 2.513 40 0 EFABHN C[C@@H](CN[C@H](c1ccccc1)c1ccc(F)cn1)N1CCN(C)CC1 ZINC000183558246 534084395 /nfs/dbraw/zinc/08/43/95/534084395.db2.gz LTUVGCQXJXZCKZ-OXJNMPFZSA-N 0 3 342.462 2.536 40 0 EFABHN CN(C(=O)C1(Cc2ccccc2F)CCN(C)CC1)C1CCOCC1 ZINC000257243483 535961385 /nfs/dbraw/zinc/96/13/85/535961385.db2.gz IHEZBIGSEUSGDQ-UHFFFAOYSA-N 0 3 348.462 2.718 40 0 EFABHN CN1CCC[C@H](c2cncc(N3CC4(CCCCC4)OC3=O)n2)C1 ZINC000257244085 536387885 /nfs/dbraw/zinc/38/78/85/536387885.db2.gz IJUGXMYRIJHOAZ-AWEZNQCLSA-N 0 3 330.432 2.945 40 0 EFABHN O=C1CC[C@H]2CN(Cc3cnc4ccccc4n3)CC[C@@H]2N1C1CC1 ZINC000585094322 546371272 /nfs/dbraw/zinc/37/12/72/546371272.db2.gz JIPFRGBLAHOYJW-LIRRHRJNSA-N 0 3 336.439 2.605 40 0 EFABHN COc1ccc(CNC(=O)C2CCN(C[C@@H]3CCC=CO3)CC2)cc1 ZINC000225579661 568423139 /nfs/dbraw/zinc/42/31/39/568423139.db2.gz FMPHGCZAHOJOAB-IBGZPJMESA-N 0 3 344.455 2.716 40 0 EFABHN CC1CCN(C(=O)[C@@H]2CN(C)[C@H]3c4cc(F)ccc4OC[C@H]32)CC1 ZINC001772595823 1249166849 /nfs/dbraw/zinc/16/68/49/1249166849.db2.gz MTHWFPYZRKFGGB-RYRKJORJSA-N 0 3 332.419 2.696 40 0 EFABHN Cc1nn(C)c(Cl)c1/C=C/C(=O)NCCN(C)Cc1ccccc1 ZINC000053348970 214178148 /nfs/dbraw/zinc/17/81/48/214178148.db2.gz UCXCWCMKSRJVAL-MDZDMXLPSA-N 0 3 346.862 2.643 40 0 EFABHN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3CCOCc3ccccc3)O2)n1 ZINC000097953572 219064608 /nfs/dbraw/zinc/06/46/08/219064608.db2.gz XZLMQBMXMPUCHC-KURKYZTESA-N 0 3 343.427 2.889 40 0 EFABHN CC(C)[C@@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)N1CCCCC1 ZINC000048301468 213915389 /nfs/dbraw/zinc/91/53/89/213915389.db2.gz GAQJNQLSONIPGZ-DYVFJYSZSA-N 0 3 345.443 2.855 40 0 EFABHN Cn1ccnc1[C@](O)(CCNCc1ccc(Cl)o1)C(F)(F)F ZINC000067698770 215189892 /nfs/dbraw/zinc/18/98/92/215189892.db2.gz XNTXOJBGERAXHA-GFCCVEGCSA-N 0 3 337.729 2.596 40 0 EFABHN O=C(c1cc(CC2(NC3CCCCC3)COC2)no1)N1CCCCC1 ZINC000067898491 215244985 /nfs/dbraw/zinc/24/49/85/215244985.db2.gz GUTKJAABOOLLEN-UHFFFAOYSA-N 0 3 347.459 2.535 40 0 biogenic,in-vitro EFABHN COc1ccc(CN[C@H](CN2CCN(C)CC2)c2ccccc2)cc1 ZINC000069171318 215367365 /nfs/dbraw/zinc/36/73/65/215367365.db2.gz FEKOQCMLUZZJEJ-OAQYLSRUSA-N 0 3 339.483 2.774 40 0 EFABHN Cc1nc2n(n1)CCC[C@@H]2N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000180934144 234034255 /nfs/dbraw/zinc/03/42/55/234034255.db2.gz LIMXGPNKFZCNHR-ILXRZTDVSA-N 0 3 349.479 2.704 40 0 EFABHN C[C@H](N[C@H]1CCc2ncnn2C1)c1ccc(Br)cc1F ZINC000127870897 222891181 /nfs/dbraw/zinc/89/11/81/222891181.db2.gz BFCNPGUVQKXLFW-ONGXEEELSA-N 0 3 339.212 2.845 40 0 EFABHN CCN1CCN(Cc2ccc(CNC(=O)C3CCCC3)cc2)CC1 ZINC000040115257 213267938 /nfs/dbraw/zinc/26/79/38/213267938.db2.gz RFVQYTHXKKDHTK-UHFFFAOYSA-N 0 3 329.488 2.631 40 0 EFABHN Cc1noc2nc(C3CC3)cc(C(=O)NC3CCN(C4CC4)CC3)c12 ZINC000036718564 213113462 /nfs/dbraw/zinc/11/34/62/213113462.db2.gz PJUGLBDZBGSLKV-UHFFFAOYSA-N 0 3 340.427 2.765 40 0 EFABHN CCOc1cc(CN[C@H](C)c2ccccc2)ccc1OCC(N)=O ZINC000036612900 213101860 /nfs/dbraw/zinc/10/18/60/213101860.db2.gz XTWZSUUJAGBOSX-CQSZACIVSA-N 0 3 328.412 2.800 40 0 EFABHN COCCOc1ccc(-c2noc([C@@H]3CCCN3CC3CC3)n2)cn1 ZINC000035425466 213027448 /nfs/dbraw/zinc/02/74/48/213027448.db2.gz IIMHNNYLXKDUKM-HNNXBMFYSA-N 0 3 344.415 2.704 40 0 biogenic,in-vitro EFABHN COCCOc1cc(-c2noc([C@@H]3CCCN3CC3CC3)n2)ccn1 ZINC000035424836 213026799 /nfs/dbraw/zinc/02/67/99/213026799.db2.gz GSZMBEDOXALDNW-HNNXBMFYSA-N 0 3 344.415 2.704 40 0 biogenic,in-vitro EFABHN COCCN1CCC[C@@H](c2nccnc2-c2cccc(OC)c2)C1 ZINC000072358502 216166410 /nfs/dbraw/zinc/16/64/10/216166410.db2.gz BAWOPUSIHODOTI-MRXNPFEDSA-N 0 3 327.428 2.978 40 0 EFABHN COC[C@@H]1CN(CCc2ccccc2)CCN(C(=O)C2CCCC2)C1 ZINC000072354426 216161932 /nfs/dbraw/zinc/16/19/32/216161932.db2.gz TUIOGVRFHWPKRB-LJQANCHMSA-N 0 3 344.499 2.826 40 0 EFABHN Cc1cc(N(C)C)cc(C2CCN(C(=O)c3cncs3)CC2)n1 ZINC000072368414 216175294 /nfs/dbraw/zinc/17/52/94/216175294.db2.gz TYYFQMVLYRZUEA-UHFFFAOYSA-N 0 3 330.457 2.932 40 0 EFABHN COCCN1CCC[C@@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 ZINC000072377553 216178953 /nfs/dbraw/zinc/17/89/53/216178953.db2.gz SRAKQMQWHUNAMJ-OAHLLOKOSA-N 0 3 327.432 2.749 40 0 EFABHN O=c1cc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392935 216190950 /nfs/dbraw/zinc/19/09/50/216190950.db2.gz MNUZZJFPOVMYNQ-MRXNPFEDSA-N 0 3 347.422 2.607 40 0 EFABHN O=c1cc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392935 216190954 /nfs/dbraw/zinc/19/09/54/216190954.db2.gz MNUZZJFPOVMYNQ-MRXNPFEDSA-N 0 3 347.422 2.607 40 0 EFABHN O=c1cc([C@H]2CCC[N@H+](Cc3ccncc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392918 216191674 /nfs/dbraw/zinc/19/16/74/216191674.db2.gz NPXUZFUBBKBAIC-KRWDZBQOSA-N 0 3 347.422 2.607 40 0 EFABHN O=c1cc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392918 216191676 /nfs/dbraw/zinc/19/16/76/216191676.db2.gz NPXUZFUBBKBAIC-KRWDZBQOSA-N 0 3 347.422 2.607 40 0 EFABHN CS(=O)(=O)NC1CC2(C1)CCN(Cc1cccc(Cl)c1)CC2 ZINC000108529435 219900853 /nfs/dbraw/zinc/90/08/53/219900853.db2.gz SFSYKVWKNOYIQQ-UHFFFAOYSA-N 0 3 342.892 2.634 40 0 EFABHN COCCN1CCC(CNC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000023127925 212352374 /nfs/dbraw/zinc/35/23/74/212352374.db2.gz USBYAVGLTUWUQO-UHFFFAOYSA-N 0 3 344.377 2.794 40 0 EFABHN CCc1oncc1C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000225800562 240231861 /nfs/dbraw/zinc/23/18/61/240231861.db2.gz XIPSYKWZJBROEM-UHFFFAOYSA-N 0 3 342.443 2.627 40 0 EFABHN C[C@H](NC(=O)C[C@@H]1CNCCO1)c1cc(F)c(Cl)cc1Cl ZINC000252499637 240307166 /nfs/dbraw/zinc/30/71/66/240307166.db2.gz SDDHHVVWJBUFNQ-DTWKUNHWSA-N 0 3 335.206 2.688 40 0 EFABHN O=C(C[C@@H]1CNCCO1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000195531118 240987226 /nfs/dbraw/zinc/98/72/26/240987226.db2.gz KXGWHMCVQDKXPE-CYBMUJFWSA-N 0 3 343.254 2.863 40 0 EFABHN COc1ccc([C@H](C)NCC(C)(C)C(N)=O)c(Br)c1 ZINC000195558777 241006833 /nfs/dbraw/zinc/00/68/33/241006833.db2.gz OARJPKQSLMKIRE-VIFPVBQESA-N 0 3 329.238 2.620 40 0 EFABHN CCn1nccc1CN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000195562162 241011933 /nfs/dbraw/zinc/01/19/33/241011933.db2.gz FCAAIRZFWYLOPY-NUEKZKHPSA-N 0 3 334.464 2.638 40 0 EFABHN COc1ccc(NC(=S)NC2CCN(C)CC2)c2cccnc12 ZINC000225800659 242041113 /nfs/dbraw/zinc/04/11/13/242041113.db2.gz MHEUCMUNBAHNGV-UHFFFAOYSA-N 0 3 330.457 2.624 40 0 EFABHN CCn1c(Cl)nc2cc(C(=O)NCCN3CCCCC3)ccc21 ZINC000225988098 242083899 /nfs/dbraw/zinc/08/38/99/242083899.db2.gz OYFXLHNTFDBYIO-UHFFFAOYSA-N 0 3 334.851 2.925 40 0 EFABHN CN1C[C@H](C(=O)Nc2nnc(C3CC3)s2)[C@@H](c2ccccc2)C1 ZINC000226751493 242112413 /nfs/dbraw/zinc/11/24/13/242112413.db2.gz XRIYYAKHQNIHSG-KGLIPLIRSA-N 0 3 328.441 2.699 40 0 EFABHN COC(=O)c1ccc(OCCCCCCN2CCN(C)CC2)cc1 ZINC000021548858 212231999 /nfs/dbraw/zinc/23/19/99/212231999.db2.gz VGZUUBPIGSABQE-UHFFFAOYSA-N 0 3 334.460 2.660 40 0 EFABHN CNc1cc(C)nc([C@@H]2CN(C(=O)c3cc(F)ccc3F)CCO2)c1 ZINC000257217817 244174914 /nfs/dbraw/zinc/17/49/14/244174914.db2.gz DATJJRBSFWXTLU-KRWDZBQOSA-N 0 3 347.365 2.924 40 0 EFABHN CCn1cc(CN2CCC[C@H]2c2nc(C)ncc2CN(C)C)c(C)n1 ZINC000257217944 244175092 /nfs/dbraw/zinc/17/50/92/244175092.db2.gz DBFNQPMEDVOOIN-SFHVURJKSA-N 0 3 342.491 2.709 40 0 EFABHN Cc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000257210300 244147676 /nfs/dbraw/zinc/14/76/76/244147676.db2.gz BUADPFUOMUZLIS-QGZVFWFLSA-N 0 3 326.444 2.800 40 0 EFABHN Cc1ncsc1-c1ccc(C(=O)N(C)CC2CCN(C)CC2)cn1 ZINC000257211106 244149534 /nfs/dbraw/zinc/14/95/34/244149534.db2.gz BXNGWUXZPVLLMI-UHFFFAOYSA-N 0 3 344.484 2.927 40 0 EFABHN OCCOc1cccc(CN2CCC[C@@H](Cc3cccnc3)C2)c1 ZINC000257210872 244150141 /nfs/dbraw/zinc/15/01/41/244150141.db2.gz BWMQKOICGGFOJX-SFHVURJKSA-N 0 3 326.440 2.907 40 0 EFABHN Cn1cncc1CN1CCN(C)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257226429 244201552 /nfs/dbraw/zinc/20/15/52/244201552.db2.gz FKORNUUWSSZDND-QGZVFWFLSA-N 0 3 349.482 2.575 40 0 EFABHN Cc1cc(N)cc([C@H]2CN(C(=O)c3cccc4ncccc43)CCO2)n1 ZINC000257229313 244207007 /nfs/dbraw/zinc/20/70/07/244207007.db2.gz FXPGYALICZGUHR-LJQANCHMSA-N 0 3 348.406 2.734 40 0 EFABHN Cc1ncsc1CN1CC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257219830 244180305 /nfs/dbraw/zinc/18/03/05/244180305.db2.gz DIINUAMZRIUUTF-CYBMUJFWSA-N 0 3 340.456 2.696 40 0 EFABHN Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN4)nc32)cc1 ZINC000257241596 244244369 /nfs/dbraw/zinc/24/43/69/244244369.db2.gz HYQDVHYQBZJDEI-QGZVFWFLSA-N 0 3 336.439 2.997 40 0 EFABHN CC(=O)NCc1cccc([C@H]2CCCN2CCOc2ccccc2)n1 ZINC000257267088 244363804 /nfs/dbraw/zinc/36/38/04/244363804.db2.gz MFXUEMQWKIQILO-HXUWFJFHSA-N 0 3 339.439 2.934 40 0 EFABHN CNc1cc(C)nc([C@@H]2CN(C(=O)c3cccc(F)c3)CCO2)c1 ZINC000257268967 244368800 /nfs/dbraw/zinc/36/88/00/244368800.db2.gz MNZVZWHZAUGOLF-KRWDZBQOSA-N 0 3 329.375 2.785 40 0 EFABHN COc1ccc(CN2CC[C@@H]3[C@H](C2)CCCC(=O)N3C)c(OC)c1 ZINC000257261097 244346589 /nfs/dbraw/zinc/34/65/89/244346589.db2.gz LFRWHAPYEUVUDK-WMLDXEAASA-N 0 3 332.444 2.537 40 0 EFABHN Cc1cnccc1CN1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257271360 244379010 /nfs/dbraw/zinc/37/90/10/244379010.db2.gz MXZIJWZYUQNNCS-KRWDZBQOSA-N 0 3 334.427 2.745 40 0 EFABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)c3n[nH]c4ccccc43)C2)c1 ZINC000257276903 244393688 /nfs/dbraw/zinc/39/36/88/244393688.db2.gz NVPYCTOFWAXDLF-CYBMUJFWSA-N 0 3 335.411 2.938 40 0 EFABHN CNc1cc(C)nc([C@@H]2CN(C(=O)c3ccc(F)cc3)CCO2)c1 ZINC000257278342 244398310 /nfs/dbraw/zinc/39/83/10/244398310.db2.gz OBWQHQKRJWYGFX-KRWDZBQOSA-N 0 3 329.375 2.785 40 0 EFABHN NCc1cn(-c2ccccc2C(=O)NCc2ccc(Cl)cc2)cn1 ZINC000257299508 244459372 /nfs/dbraw/zinc/45/93/72/244459372.db2.gz RQJWAKYEDZFIQD-UHFFFAOYSA-N 0 3 340.814 2.914 40 0 EFABHN CN1CCC[C@H](c2ncc3c(n2)CCN(C(=O)C2CCCCC2)C3)C1 ZINC000019588550 212049407 /nfs/dbraw/zinc/04/94/07/212049407.db2.gz BXYSHAVMXAXDPP-INIZCTEOSA-N 0 3 342.487 2.751 40 0 EFABHN CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C)C1 ZINC000019588498 212049262 /nfs/dbraw/zinc/04/92/62/212049262.db2.gz WEJXMVOAVXNHRI-IBGZPJMESA-N 0 3 327.428 2.684 40 0 EFABHN CCn1ncc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)c1C ZINC000019523989 212037678 /nfs/dbraw/zinc/03/76/78/212037678.db2.gz PKAAEQUZLZYGJD-AEFFLSMTSA-N 0 3 348.397 2.599 40 0 EFABHN C[C@@H]1CCCN(CC(C)(C)NC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC000019496546 212031892 /nfs/dbraw/zinc/03/18/92/212031892.db2.gz KBXPRKJLVVURMI-LLVKDONJSA-N 0 3 346.397 2.679 40 0 EFABHN C[C@H](NC(=O)CCN1CCN(C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000019458549 212030179 /nfs/dbraw/zinc/03/01/79/212030179.db2.gz AZVBKEOYZLCXOU-ZDUSSCGKSA-N 0 3 349.862 2.901 40 0 EFABHN O=c1cc(-c2cccnc2)nc([C@@H]2CCCN(Cc3ccncc3)C2)[nH]1 ZINC000019340261 212017866 /nfs/dbraw/zinc/01/78/66/212017866.db2.gz PVYXRRYJPXUYOO-QGZVFWFLSA-N 0 3 347.422 2.607 40 0 EFABHN O=C1CC[C@@H](NCc2cccc(O)c2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019330847 212016283 /nfs/dbraw/zinc/01/62/83/212016283.db2.gz ODLNKQCYGWUGKH-AEFFLSMTSA-N 0 3 332.350 2.780 40 0 EFABHN COc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1 ZINC000019291380 212011932 /nfs/dbraw/zinc/01/19/32/212011932.db2.gz WWEHVDGRVOTKIG-XEWABKELSA-N 0 3 341.455 2.548 40 0 EFABHN Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)[N@@H+]1Cc1ccc(Cl)cc1 ZINC000019286354 212010558 /nfs/dbraw/zinc/01/05/58/212010558.db2.gz SUNSSIBFRXCURX-LSDHHAIUSA-N 0 3 329.831 2.864 40 0 EFABHN Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)[N@H+]1Cc1ccc(Cl)cc1 ZINC000019286354 212010563 /nfs/dbraw/zinc/01/05/63/212010563.db2.gz SUNSSIBFRXCURX-LSDHHAIUSA-N 0 3 329.831 2.864 40 0 EFABHN Cc1nc([C@H]2CC[N@H+](Cc3ccccc3N3CCCC3)C2)cc(=O)[n-]1 ZINC000019285272 212010358 /nfs/dbraw/zinc/01/03/58/212010358.db2.gz RNARUPPGFFIUQF-INIZCTEOSA-N 0 3 338.455 2.668 40 0 EFABHN Cc1nc([C@H]2CC[N@@H+](Cc3ccccc3N3CCCC3)C2)cc(=O)[n-]1 ZINC000019285272 212010362 /nfs/dbraw/zinc/01/03/62/212010362.db2.gz RNARUPPGFFIUQF-INIZCTEOSA-N 0 3 338.455 2.668 40 0 EFABHN Cc1ccc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)s1 ZINC000019216927 212006122 /nfs/dbraw/zinc/00/61/22/212006122.db2.gz PQIQASMLSYCTGB-HNNXBMFYSA-N 0 3 342.468 2.812 40 0 EFABHN COCc1ccc(CN2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)o1 ZINC000019216013 212005674 /nfs/dbraw/zinc/00/56/74/212005674.db2.gz CMNMFJHNIYKMEC-CVAIRZPRSA-N 0 3 342.439 2.859 40 0 EFABHN CCS[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000078289480 217038341 /nfs/dbraw/zinc/03/83/41/217038341.db2.gz SPLRMTLHHABSJG-HZPDHXFCSA-N 0 3 325.522 2.977 40 0 EFABHN CCN1CCN(CCC(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000078394328 217047093 /nfs/dbraw/zinc/04/70/93/217047093.db2.gz XCALAKMQEKKWGU-OAHLLOKOSA-N 0 3 329.444 2.638 40 0 EFABHN CN(Cc1cnn(C)c1)C(=O)CN[C@@H](c1ccccc1)C1CCCC1 ZINC000078776849 217120027 /nfs/dbraw/zinc/12/00/27/217120027.db2.gz FRLOUXGTMBHJKZ-FQEVSTJZSA-N 0 3 340.471 2.900 40 0 EFABHN O=C(NCCNCC1=Cc2ccccc2OC1)c1ccccc1F ZINC000078979840 217163662 /nfs/dbraw/zinc/16/36/62/217163662.db2.gz TYYGTSJFVHZATF-UHFFFAOYSA-N 0 3 326.371 2.621 40 0 EFABHN CC(C(=O)N[C@H](Cc1ccc(F)cc1)c1ccccc1)S(C)(=O)=O ZINC000079040434 217179960 /nfs/dbraw/zinc/17/99/60/217179960.db2.gz XFLPQGOJLRNFSA-CXAGYDPISA-N 0 3 349.427 2.659 40 0 EFABHN C[C@H](NC1(CNC(=O)c2cscn2)CCOCC1)c1ccccc1 ZINC000079096137 217191812 /nfs/dbraw/zinc/19/18/12/217191812.db2.gz UTKCNWXUVRTRQP-AWEZNQCLSA-N 0 3 345.468 2.773 40 0 EFABHN CS[C@H](C)C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000079096306 217191980 /nfs/dbraw/zinc/19/19/80/217191980.db2.gz NYXHOAVFJGWXBX-HUUCEWRRSA-N 0 3 336.501 2.754 40 0 EFABHN CC(C)[C@H](N)C(=O)N(C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391461 217219149 /nfs/dbraw/zinc/21/91/49/217219149.db2.gz DWGJCVSUVQTRCU-HNNXBMFYSA-N 0 3 341.496 2.606 40 0 EFABHN CC(C)[C@H](N)C(=O)N(C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079404775 217221076 /nfs/dbraw/zinc/22/10/76/217221076.db2.gz VDSYMKVGFGGHHM-MOPGFXCFSA-N 0 3 329.488 2.625 40 0 EFABHN CCN(C[C@@H]1CCCCN1C(=O)[C@@H](N)C(C)C)C(=O)OC(C)(C)C ZINC000079410183 217222488 /nfs/dbraw/zinc/22/24/88/217222488.db2.gz SXMZWXDNTFYWMU-GJZGRUSLSA-N 0 3 341.496 2.608 40 0 EFABHN COc1cc(-c2ccccc2)ccc1CNC[C@H]1CN(C)CCN1C ZINC000110712331 220060087 /nfs/dbraw/zinc/06/00/87/220060087.db2.gz XCRNYSIYSXLKGC-FQEVSTJZSA-N 0 3 339.483 2.698 40 0 EFABHN Cc1ccc(CCCC(=O)N2CCN([C@H]3CCCN(C)C3)CC2)s1 ZINC000079545910 217239829 /nfs/dbraw/zinc/23/98/29/217239829.db2.gz COXMAWNJRZSUBJ-KRWDZBQOSA-N 0 3 349.544 2.618 40 0 EFABHN C[C@H]1C[C@@H](NC(=O)Nc2cnn(C)c2)CCN1Cc1ccccc1 ZINC000079778801 217253643 /nfs/dbraw/zinc/25/36/43/217253643.db2.gz VAFDTSLKQUGORT-HOCLYGCPSA-N 0 3 327.432 2.595 40 0 EFABHN COc1ccc(-c2nc(C)sc2CC(=O)N(C)CCN(C)C)cc1 ZINC000012360913 211355715 /nfs/dbraw/zinc/35/57/15/211355715.db2.gz FIXXOYGXNVLWKW-UHFFFAOYSA-N 0 3 347.484 2.690 40 0 EFABHN CC[C@@H](CN1CCCC1)NC(=O)C1(c2ccccc2)CCOCC1 ZINC000012362882 211355228 /nfs/dbraw/zinc/35/52/28/211355228.db2.gz YQFBOGJZTBYQPM-SFHVURJKSA-N 0 3 330.472 2.725 40 0 EFABHN CCOC(=O)[C@@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCNC1 ZINC000012275185 211331326 /nfs/dbraw/zinc/33/13/26/211331326.db2.gz QOUWYSXHSREQHH-GOSISDBHSA-N 0 3 332.375 2.956 40 0 EFABHN Cc1cc(-c2cnc(NCCN(C)C)nc2-c2ccoc2C)on1 ZINC000012251495 211330003 /nfs/dbraw/zinc/33/00/03/211330003.db2.gz NGVDVXRYCOIWTN-UHFFFAOYSA-N 0 3 327.388 2.982 40 0 EFABHN OCCOc1ccc(CN2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012240699 211328663 /nfs/dbraw/zinc/32/86/63/211328663.db2.gz DEXWHFPURQPYDC-UHFFFAOYSA-N 0 3 345.414 2.680 40 0 EFABHN CN(C)[C@H](CNC(=O)c1cncn1-c1ccccc1)c1ccccc1 ZINC000009834084 211126497 /nfs/dbraw/zinc/12/64/97/211126497.db2.gz RGELVVYLVGWAAW-GOSISDBHSA-N 0 3 334.423 2.905 40 0 EFABHN CN(C)CCNC(=O)c1cccc(CN[C@@H]2CCc3ccccc32)c1 ZINC000095421704 218364361 /nfs/dbraw/zinc/36/43/61/218364361.db2.gz QSGDWRDFRTUSDM-HXUWFJFHSA-N 0 3 337.467 2.755 40 0 EFABHN Cc1cccc(N2CCN(CCN[C@H](C)c3cnccn3)CC2)c1C ZINC000095422174 218364467 /nfs/dbraw/zinc/36/44/67/218364467.db2.gz JXNXUFOSXJGDPL-GOSISDBHSA-N 0 3 339.487 2.566 40 0 EFABHN C[C@@H](NCCOc1ccc(F)cc1F)c1ccc(-n2cnnn2)cc1 ZINC000095423597 218365981 /nfs/dbraw/zinc/36/59/81/218365981.db2.gz XYJOFDQWOZUOFN-GFCCVEGCSA-N 0 3 345.353 2.670 40 0 EFABHN O=C(c1ccn2cncc2c1)N1CCC[C@H](NCc2ccccc2)C1 ZINC000095449973 218394066 /nfs/dbraw/zinc/39/40/66/218394066.db2.gz PKBWHFFDGCXKDD-SFHVURJKSA-N 0 3 334.423 2.729 40 0 EFABHN Cc1ncsc1CN1CC[C@@]2(C1)CCC[C@@H](CN1CCCC1=O)O2 ZINC000096207689 218683384 /nfs/dbraw/zinc/68/33/84/218683384.db2.gz QQEIKZSMWPAZMC-MAUKXSAKSA-N 0 3 349.500 2.588 40 0 EFABHN CC[C@H](CNC(=O)NC1CCN(C)CC1)Oc1ccccc1Cl ZINC000096452302 218835802 /nfs/dbraw/zinc/83/58/02/218835802.db2.gz ZSIIMVLHKYUNDS-CQSZACIVSA-N 0 3 339.867 2.891 40 0 EFABHN O=C(NC1CCN(C2CC2)CC1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000096466983 218846348 /nfs/dbraw/zinc/84/63/48/218846348.db2.gz WXWLQJZDLYVMSR-DLBZAZTESA-N 0 3 347.459 2.504 40 0 EFABHN CSC[C@H](C)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000096456022 218841382 /nfs/dbraw/zinc/84/13/82/218841382.db2.gz PKCLNZISOXPMJR-ARFHVFGLSA-N 0 3 342.549 2.723 40 0 EFABHN CCOc1ccc(N2C(=O)C[C@@H](N[C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000004996563 210353981 /nfs/dbraw/zinc/35/39/81/210353981.db2.gz LEFMFIUYTZNGGI-IAOVAPTHSA-N 0 3 330.428 2.886 40 0 EFABHN O[C@@H](CNC[C@@H]1COc2ccccc2O1)COc1ccc(Cl)cc1 ZINC000004866858 210306356 /nfs/dbraw/zinc/30/63/56/210306356.db2.gz BADSCWFHJCUJTF-GOEBONIOSA-N 0 3 349.814 2.509 40 0 EFABHN C[C@@H](NCCc1ccc(F)c(F)c1)c1cccc(S(N)(=O)=O)c1 ZINC000097370678 219016230 /nfs/dbraw/zinc/01/62/30/219016230.db2.gz KRKLXICMACZMFQ-LLVKDONJSA-N 0 3 340.395 2.506 40 0 EFABHN CN(Cc1cc(Br)cc2c1OCC2)C[C@H]1CCOC1 ZINC000097379063 219020122 /nfs/dbraw/zinc/02/01/22/219020122.db2.gz DZQDATOXPUTRJZ-LLVKDONJSA-N 0 3 326.234 2.852 40 0 EFABHN CCN(CC)C(=O)C1CCN(CCC(=O)Nc2ccccc2)CC1 ZINC000004777915 210276575 /nfs/dbraw/zinc/27/65/75/210276575.db2.gz UXUOANAWDGZOES-UHFFFAOYSA-N 0 3 331.460 2.596 40 0 EFABHN CCOCCCNC(=O)C1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000120206232 221512619 /nfs/dbraw/zinc/51/26/19/221512619.db2.gz GETAQJRTCBJUEC-UHFFFAOYSA-N 0 3 348.487 2.840 40 0 EFABHN CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cccnc1N1CCNCC1 ZINC000072216370 257687847 /nfs/dbraw/zinc/68/78/47/257687847.db2.gz CITOPIJCOKCLLB-MRXNPFEDSA-N 0 3 346.475 2.953 40 0 EFABHN Cc1ccc(C(=O)CCN2CCC(CN3CCOCC3)CC2)cc1 ZINC000158700118 225070078 /nfs/dbraw/zinc/07/00/78/225070078.db2.gz GCQLLKXVUCGYNR-UHFFFAOYSA-N 0 3 330.472 2.612 40 0 EFABHN CCN1CCN([C@@H]2CCN(Cc3ccc(OC)c(Cl)c3)C2)CC1 ZINC000096486746 544558784 /nfs/dbraw/zinc/55/87/84/544558784.db2.gz JVLRWBBZYJUSJT-MRXNPFEDSA-N 0 3 337.895 2.560 40 0 EFABHN CN1CCC2(CC1)C[C@H](NC(=O)Cc1ccoc1)c1ccccc1O2 ZINC000129470456 544645892 /nfs/dbraw/zinc/64/58/92/544645892.db2.gz MWXZRKZHQVTFIO-KRWDZBQOSA-N 0 3 340.423 2.927 40 0 EFABHN CN(C)C(=O)[C@H]1OC2(CCN(Cc3ccoc3)CC2)c2ccccc21 ZINC000096058367 273788945 /nfs/dbraw/zinc/78/89/45/273788945.db2.gz HXSMQKWWHJLXII-SFHVURJKSA-N 0 3 340.423 2.930 40 0 EFABHN COc1cc(OC)nc(N2CCCN(Cc3ccccc3)C[C@H]2C)n1 ZINC000342353153 274098332 /nfs/dbraw/zinc/09/83/32/274098332.db2.gz VZPDHAMMZDDZLV-OAHLLOKOSA-N 0 3 342.443 2.595 40 0 EFABHN COc1ccc(CN2CCC3(CCN(c4ncccn4)C3)CC2)cc1 ZINC000096046597 274108827 /nfs/dbraw/zinc/10/88/27/274108827.db2.gz PKSXAKKOGOQNPK-UHFFFAOYSA-N 0 3 338.455 2.978 40 0 EFABHN c1cc(CN2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)co1 ZINC000096061683 275064366 /nfs/dbraw/zinc/06/43/66/275064366.db2.gz ALOVFZUMORXSMG-UXHICEINSA-N 0 3 326.440 2.797 40 0 EFABHN CN(Cc1c(F)cccc1F)C1CCN(CCn2cccn2)CC1 ZINC000121236954 276984072 /nfs/dbraw/zinc/98/40/72/276984072.db2.gz HOFZRTDVEBZEKO-UHFFFAOYSA-N 0 3 334.414 2.758 40 0 EFABHN CNCC(=O)N[C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000225471605 277264785 /nfs/dbraw/zinc/26/47/85/277264785.db2.gz SHFTUDUMIMANOW-AMIZOPFISA-N 0 3 329.263 2.568 40 0 EFABHN O=C([C@H]1CN(Cc2ccc(F)cc2)CC12CCOCC2)N1CCCC1 ZINC000096052185 280143565 /nfs/dbraw/zinc/14/35/65/280143565.db2.gz JUJRAZRCDMXFSD-GOSISDBHSA-N 0 3 346.446 2.677 40 0 EFABHN CC(C)[C@H](N)C(=O)N(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(C)C ZINC000079391454 280271782 /nfs/dbraw/zinc/27/17/82/280271782.db2.gz VUYFTMASJWPWDS-CABCVRRESA-N 0 3 341.496 2.606 40 0 EFABHN C[C@H]1CCc2c(C(=O)Nc3ccnn3CCN(C)C)csc2C1 ZINC000294132228 295116406 /nfs/dbraw/zinc/11/64/06/295116406.db2.gz QEJUHKYYOFVUSA-LBPRGKRZSA-N 0 3 332.473 2.883 40 0 EFABHN C[C@H]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c2c([O-])cccc21 ZINC000333254870 311590258 /nfs/dbraw/zinc/59/02/58/311590258.db2.gz HQGHQAZOOCOVDP-ZFWWWQNUSA-N 0 3 340.427 2.667 40 0 EFABHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000097230729 323213791 /nfs/dbraw/zinc/21/37/91/323213791.db2.gz XUJUSWYKPOFPKS-GOEBONIOSA-N 0 3 342.480 2.516 40 0 EFABHN O=C(NCCCNCc1cccnc1)[C@@H]1SCCc2ccccc21 ZINC000120894923 323215928 /nfs/dbraw/zinc/21/59/28/323215928.db2.gz BPACXZBWDZBCBW-GOSISDBHSA-N 0 3 341.480 2.708 40 0 EFABHN CC[C@H](NC1CCN(CC(=O)NC)CC1)c1cccc(Cl)c1F ZINC000161559015 323222535 /nfs/dbraw/zinc/22/25/35/323222535.db2.gz SNSDNTSHTHRHRE-HNNXBMFYSA-N 0 3 341.858 2.730 40 0 EFABHN Cn1cc(CN2CC[C@H]3OCCC[C@]3(COCC3CCCC3)C2)cn1 ZINC000096039952 473259516 /nfs/dbraw/zinc/25/95/16/473259516.db2.gz ADQWHPHVUMRGFK-WOJBJXKFSA-N 0 3 347.503 2.998 40 0 EFABHN O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccsc2)C1 ZINC000096041273 473261825 /nfs/dbraw/zinc/26/18/25/473261825.db2.gz NYKYHZKBHZUOAN-USXIJHARSA-N 0 3 346.452 2.637 40 0 EFABHN Cc1ccc(CN2CC[C@]3(C2)CCCN(Cc2cnn(C)c2)C3)o1 ZINC000096046984 473268340 /nfs/dbraw/zinc/26/83/40/473268340.db2.gz IOVNZIVELFNJBW-LJQANCHMSA-N 0 3 328.460 2.810 40 0 EFABHN CN(Cc1ccccn1)[C@@H]1COC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096048047 473268862 /nfs/dbraw/zinc/26/88/62/473268862.db2.gz FWYHMRXLVKEIGG-IBGZPJMESA-N 0 3 341.455 2.930 40 0 EFABHN CN(Cc1ccncc1)[C@@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096048069 473269804 /nfs/dbraw/zinc/26/98/04/473269804.db2.gz OJFPGAYCGYMRCY-SFHVURJKSA-N 0 3 341.455 2.930 40 0 EFABHN Cc1ccc(CN2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)o1 ZINC000096048656 473271568 /nfs/dbraw/zinc/27/15/68/473271568.db2.gz GAMNPGRGQVRBEP-FQEVSTJZSA-N 0 3 339.439 2.998 40 0 EFABHN Cc1ccc(CN2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)o1 ZINC000096048657 473272367 /nfs/dbraw/zinc/27/23/67/473272367.db2.gz GAMNPGRGQVRBEP-HXUWFJFHSA-N 0 3 339.439 2.998 40 0 EFABHN O=C1C[C@@]2(CCN(Cc3ccco3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050760 473273005 /nfs/dbraw/zinc/27/30/05/473273005.db2.gz VLIIXZOYCWGADD-LJQANCHMSA-N 0 3 340.379 2.637 40 0 EFABHN O=C1C[C@]2(CCN(Cc3ccco3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050759 473273477 /nfs/dbraw/zinc/27/34/77/473273477.db2.gz VLIIXZOYCWGADD-IBGZPJMESA-N 0 3 340.379 2.637 40 0 EFABHN c1cncc(CN2CCC[C@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096049559 473273547 /nfs/dbraw/zinc/27/35/47/473273547.db2.gz XMTBGZPBESEEDN-HXUWFJFHSA-N 0 3 338.455 2.596 40 0 EFABHN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2ccsc2)n1 ZINC000096054035 473275817 /nfs/dbraw/zinc/27/58/17/473275817.db2.gz XKDKAEHIVITBTB-IRXDYDNUSA-N 0 3 327.453 2.827 40 0 EFABHN Cc1ccc(CN2C[C@@H]3C(=O)N(Cc4cccc(F)c4)C[C@@H]3C2)o1 ZINC000096053712 473276246 /nfs/dbraw/zinc/27/62/46/473276246.db2.gz NRAIWGJDLGBCQL-YJBOKZPZSA-N 0 3 328.387 2.818 40 0 EFABHN Cc1ccc(CN2CCOC[C@]3(C[C@H](Cn4ccnc4)CO3)C2)s1 ZINC000096052067 473276663 /nfs/dbraw/zinc/27/66/63/473276663.db2.gz CWWDOTJNCULINI-AEFFLSMTSA-N 0 3 347.484 2.561 40 0 EFABHN c1csc(CN2CCN3C[C@H](OCc4ccccn4)C[C@@H]3C2)c1 ZINC000096055110 473278039 /nfs/dbraw/zinc/27/80/39/473278039.db2.gz VCDMXQBQZCWDQR-IAGOWNOFSA-N 0 3 329.469 2.618 40 0 EFABHN c1csc(CN2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC000096055025 473278570 /nfs/dbraw/zinc/27/85/70/473278570.db2.gz QAOGTQNLVVYECZ-DLBZAZTESA-N 0 3 329.469 2.618 40 0 EFABHN Cc1ccc(CN2C[C@@H]3CN(C(=O)c4cscn4)CC[C@@H]3C2)o1 ZINC000096054143 473278907 /nfs/dbraw/zinc/27/89/07/473278907.db2.gz NOTYZXFXVNPIKB-ZIAGYGMSSA-N 0 3 331.441 2.639 40 0 EFABHN Cc1cccc(CO[C@H]2C[C@H]3CN(Cc4ccsc4)CCN3C2)n1 ZINC000096055077 473279742 /nfs/dbraw/zinc/27/97/42/473279742.db2.gz QZYJRGYUHLKPJL-OALUTQOASA-N 0 3 343.496 2.927 40 0 EFABHN c1csc(CN2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC000096055023 473279979 /nfs/dbraw/zinc/27/99/79/473279979.db2.gz QAOGTQNLVVYECZ-IAGOWNOFSA-N 0 3 329.469 2.618 40 0 EFABHN Cc1ccc(CN2CC[C@]3(CC[C@@H](C(=O)NCC4CC4)O3)[C@@H](C)C2)o1 ZINC000096061287 473285188 /nfs/dbraw/zinc/28/51/88/473285188.db2.gz ICPDFRMVVKDAHA-ADLFWFRXSA-N 0 3 346.471 2.874 40 0 EFABHN c1csc(CNC[C@@H]2OCCc3cn(Cc4ccccn4)nc32)c1 ZINC000096059782 473283920 /nfs/dbraw/zinc/28/39/20/473283920.db2.gz PJXMZGOWVAVKKY-KRWDZBQOSA-N 0 3 340.452 2.792 40 0 EFABHN C[C@H]1CN(Cc2ccco2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000096061275 473284808 /nfs/dbraw/zinc/28/48/08/473284808.db2.gz BPZPTDPECSBJIN-UCLAIMLFSA-N 0 3 332.444 2.565 40 0 EFABHN COc1cccc(CN2CCC3(CCN(C(=O)N(C)C)C3)CC2)c1 ZINC000096062893 473288033 /nfs/dbraw/zinc/28/80/33/473288033.db2.gz NOLFXTYXOOCCEB-UHFFFAOYSA-N 0 3 331.460 2.665 40 0 EFABHN O=C(c1ccco1)N1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000096071137 473289172 /nfs/dbraw/zinc/28/91/72/473289172.db2.gz AZLHBXMUDFUERX-UHFFFAOYSA-N 0 3 325.412 2.803 40 0 EFABHN Cc1noc(C)c1CN1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1 ZINC000096077370 473291675 /nfs/dbraw/zinc/29/16/75/473291675.db2.gz VQKHZZIOMSNJEB-IBGZPJMESA-N 0 3 325.412 2.920 40 0 EFABHN CN1CCN(c2cc([C@@H]3c4ccccc4CCCN3C)ccn2)CC1 ZINC000096087167 473292560 /nfs/dbraw/zinc/29/25/60/473292560.db2.gz QHCAXUGFOAAYCE-OAQYLSRUSA-N 0 3 336.483 2.801 40 0 EFABHN COc1ccc(CN2CCc3c(CN4CCCC4)n[nH]c3C2)cc1 ZINC000096084113 473293164 /nfs/dbraw/zinc/29/31/64/473293164.db2.gz FSKQIACCPOVHPR-UHFFFAOYSA-N 0 3 326.444 2.572 40 0 EFABHN c1csc(CN2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cnccn2)n1 ZINC000096081949 473293420 /nfs/dbraw/zinc/29/34/20/473293420.db2.gz KVIRWVZITOHDBZ-RRFJBIMHSA-N 0 3 329.473 2.893 40 0 EFABHN O=C(c1ccncc1)N1C[C@@H]2CN(Cc3ccccc3Cl)C[C@H]2C1 ZINC000096081022 473294090 /nfs/dbraw/zinc/29/40/90/473294090.db2.gz LTSLDESIHMXOAN-IRXDYDNUSA-N 0 3 341.842 2.939 40 0 EFABHN c1cncc(CN2CCC3(CO[C@@H](COc4cccnc4)C3)CC2)c1 ZINC000096106088 473298473 /nfs/dbraw/zinc/29/84/73/473298473.db2.gz DNVUQOHEAUEJMI-LJQANCHMSA-N 0 3 339.439 2.927 40 0 EFABHN Cc1ccc(CN2CC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)o1 ZINC000096107640 473299575 /nfs/dbraw/zinc/29/95/75/473299575.db2.gz DRDVBZPUDPTNFO-OALUTQOASA-N 0 3 328.412 2.933 40 0 EFABHN Cc1nc(COC[C@]23COC[C@H]2CN(Cc2ccoc2)C3)cs1 ZINC000096108906 473302122 /nfs/dbraw/zinc/30/21/22/473302122.db2.gz UDEFTYFOUBQMCS-WBVHZDCISA-N 0 3 334.441 2.710 40 0 EFABHN Fc1ccccc1CN1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 ZINC000096108786 473302644 /nfs/dbraw/zinc/30/26/44/473302644.db2.gz JZSVWRBQJNZYJD-UYAOXDASSA-N 0 3 349.446 2.717 40 0 EFABHN O=C(NCC1CC1)[C@H]1CCC2(CCN(Cc3cccc(F)c3)CC2)O1 ZINC000096109910 473304440 /nfs/dbraw/zinc/30/44/40/473304440.db2.gz QRSSNDBOIHEEOV-GOSISDBHSA-N 0 3 346.446 2.866 40 0 EFABHN COc1ccc2c(c1)nc1n2[C@@H](CNCc2ncccc2C)COC1 ZINC000096112687 473305929 /nfs/dbraw/zinc/30/59/29/473305929.db2.gz XUJUMCASGVNNAW-AWEZNQCLSA-N 0 3 338.411 2.609 40 0 biogenic,in-vitro EFABHN CN(C)CCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1C ZINC000096146486 473313635 /nfs/dbraw/zinc/31/36/35/473313635.db2.gz FGJBJXVAGSYFEM-UHFFFAOYSA-N 0 3 338.455 2.834 40 0 EFABHN COc1cccc(CN2CCC3(CCN(c4ncccn4)C3)CC2)c1 ZINC000096157605 473316441 /nfs/dbraw/zinc/31/64/41/473316441.db2.gz KTARRHFLIRSVSX-UHFFFAOYSA-N 0 3 338.455 2.978 40 0 EFABHN O=C(N1CCCC1)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 ZINC000096158396 473318225 /nfs/dbraw/zinc/31/82/25/473318225.db2.gz YNDISVORWAQFMP-UHFFFAOYSA-N 0 3 342.487 2.975 40 0 EFABHN O=C(c1cnccn1)N1CCC[C@@]2(CCN(Cc3cccs3)C2)C1 ZINC000096158181 473318616 /nfs/dbraw/zinc/31/86/16/473318616.db2.gz ZDDOGURFCWRHAW-SFHVURJKSA-N 0 3 342.468 2.666 40 0 EFABHN Cc1nc(CN2C[C@H]3CN(Cc4c(C)noc4C)C[C@H]3C2)cs1 ZINC000096161523 473319183 /nfs/dbraw/zinc/31/91/83/473319183.db2.gz GYHXONOFPBGBRB-GASCZTMLSA-N 0 3 332.473 2.620 40 0 EFABHN O=C1CC[C@H]2[C@H](CCN2Cc2ccsc2)N1CC1CCOCC1 ZINC000096186325 473325962 /nfs/dbraw/zinc/32/59/62/473325962.db2.gz ROFYJQLHBWUAFR-IRXDYDNUSA-N 0 3 334.485 2.740 40 0 EFABHN O=c1ccc2c(n1Cc1ccncc1)CC[C@H](NCc1ccco1)C2 ZINC000096196609 473332384 /nfs/dbraw/zinc/33/23/84/473332384.db2.gz SVUNENMUBZABJR-KRWDZBQOSA-N 0 3 335.407 2.532 40 0 EFABHN CN(C)[C@@H]1CCN(C(=O)c2cccc(F)c2)[C@H]1Cc1ccncc1 ZINC000096200993 473339063 /nfs/dbraw/zinc/33/90/63/473339063.db2.gz FDXCAJYMCHDQFN-MSOLQXFVSA-N 0 3 327.403 2.608 40 0 EFABHN O=C(N[C@H]1CCO[C@]2(CCN(Cc3cccs3)C2)C1)c1ccco1 ZINC000096206272 473340016 /nfs/dbraw/zinc/34/00/16/473340016.db2.gz ZTLIWMTZPIUJKR-KBXCAEBGSA-N 0 3 346.452 2.895 40 0 EFABHN COCCC(=O)N1CC[C@]2(CCN(Cc3ccc(Cl)cc3)C2)C1 ZINC000096203116 473340082 /nfs/dbraw/zinc/34/00/82/473340082.db2.gz XIRGNBZNYCVMAY-SFHVURJKSA-N 0 3 336.863 2.801 40 0 EFABHN CN(C)C(=O)C[C@@H]1OC[C@H]2CN(Cc3ccccc3Cl)CC[C@H]21 ZINC000096208070 473342732 /nfs/dbraw/zinc/34/27/32/473342732.db2.gz YBQCMHLZFXGKSL-INMHGKMJSA-N 0 3 336.863 2.655 40 0 EFABHN Fc1cccnc1OC[C@H]1Cn2cncc2CN(C2CCCC2)C1 ZINC000096209170 473344668 /nfs/dbraw/zinc/34/46/68/473344668.db2.gz ORJUZOIGECJXNB-CQSZACIVSA-N 0 3 330.407 2.871 40 0 EFABHN c1cc(CN2CC[C@H]3OCC[C@@]3(CCNc3ncccn3)C2)co1 ZINC000096209754 473344934 /nfs/dbraw/zinc/34/49/34/473344934.db2.gz KQPDBDQICDCMSO-AEFFLSMTSA-N 0 3 328.416 2.553 40 0 EFABHN O=C([C@H]1CCC2(CCN(Cc3cccc(F)c3)CC2)O1)N1CCCO1 ZINC000096216628 473349408 /nfs/dbraw/zinc/34/94/08/473349408.db2.gz VLJANECSAJWXQK-QGZVFWFLSA-N 0 3 348.418 2.503 40 0 EFABHN Fc1ccccc1CN1CC[C@@]2(C1)CCC[C@H](CN1CCOCC1)O2 ZINC000096218124 473350018 /nfs/dbraw/zinc/35/00/18/473350018.db2.gz NHKQOPYACDJXRH-UYAOXDASSA-N 0 3 348.462 2.672 40 0 EFABHN Cc1ccc(OC[C@@H]2CO[C@@H]3CN(Cc4ccsc4)C[C@H]23)cn1 ZINC000096219479 473350938 /nfs/dbraw/zinc/35/09/38/473350938.db2.gz DQDOMQQXFAIZKO-KBAYOESNSA-N 0 3 330.453 2.977 40 0 EFABHN O=C1N(c2cncnc2)CC[C@]12CCCN(Cc1cccs1)C2 ZINC000096224562 473355485 /nfs/dbraw/zinc/35/54/85/473355485.db2.gz ONPLKKXABNBYMZ-KRWDZBQOSA-N 0 3 328.441 2.557 40 0 EFABHN O=C1N(c2cncnc2)CC[C@]12CCCN(Cc1ccc(F)cc1)C2 ZINC000096224580 473355674 /nfs/dbraw/zinc/35/56/74/473355674.db2.gz NFXLDMDEUSXKIS-IBGZPJMESA-N 0 3 340.402 2.635 40 0 EFABHN c1ccc(CN2CCC[C@@]3(C2)COCCN(c2cnccn2)C3)cc1 ZINC000096229153 473358321 /nfs/dbraw/zinc/35/83/21/473358321.db2.gz KQWHWRTVAMZIKZ-FQEVSTJZSA-N 0 3 338.455 2.596 40 0 EFABHN CCN1CCC2(CC1)C[C@@H](NCc1cnn(C)c1)c1ccccc1O2 ZINC000096242700 473362838 /nfs/dbraw/zinc/36/28/38/473362838.db2.gz XOJHPVVWCYTYGR-GOSISDBHSA-N 0 3 340.471 2.888 40 0 EFABHN O=C(CC[C@H]1CCOC1)NCC1(N2CCSCC2)CCCCC1 ZINC000177353528 473361348 /nfs/dbraw/zinc/36/13/48/473361348.db2.gz VSIAUWHIKMENTN-INIZCTEOSA-N 0 3 340.533 2.671 40 0 EFABHN Cc1ccccc1CN1CC[C@@]2(C1)COCc1cnc(N(C)C)nc12 ZINC000096244004 473362059 /nfs/dbraw/zinc/36/20/59/473362059.db2.gz NLGZXLKGCMGWNV-HXUWFJFHSA-N 0 3 338.455 2.525 40 0 EFABHN O=C(c1ccncc1)N1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000096245567 473365430 /nfs/dbraw/zinc/36/54/30/473365430.db2.gz OAHKYJBBMWDKNQ-IAGOWNOFSA-N 0 3 341.842 2.939 40 0 EFABHN C[C@@H]1CN(CCCCNC(=O)N(C)c2ccc(F)cc2)C[C@H](C)O1 ZINC000190775976 473390075 /nfs/dbraw/zinc/39/00/75/473390075.db2.gz WOVYAIWTKCATRS-GASCZTMLSA-N 0 3 337.439 2.861 40 0 EFABHN CN(CC1CCN(C)CC1)C(=O)NCCOC1CCCCCC1 ZINC000096411456 473390316 /nfs/dbraw/zinc/39/03/16/473390316.db2.gz ANPKRLPCXRAAHL-UHFFFAOYSA-N 0 3 325.497 2.709 40 0 EFABHN O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C1=CCCC1)c1ccccc1 ZINC000001641826 471395423 /nfs/dbraw/zinc/39/54/23/471395423.db2.gz HRGZDUGJXKGXRU-ICSRJNTNSA-N 0 3 327.424 2.622 40 0 EFABHN CCN1CCN(c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2)CC1 ZINC000006517660 471548693 /nfs/dbraw/zinc/54/86/93/471548693.db2.gz JNLJOWVBCCRMCA-UHFFFAOYSA-N 0 3 348.516 2.688 40 0 EFABHN Cc1cc2oc(=O)cc(C)c2cc1OC[C@@H](O)CN1CCCCC1 ZINC000006922339 471578564 /nfs/dbraw/zinc/57/85/64/471578564.db2.gz IKABFWDQUNRTJA-HNNXBMFYSA-N 0 3 331.412 2.635 40 0 EFABHN Cc1ccccc1CN(C)C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000006939105 471579831 /nfs/dbraw/zinc/57/98/31/471579831.db2.gz JALBKWKSWPPHMG-SFHVURJKSA-N 0 3 343.423 2.733 40 0 EFABHN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1C[C@H](C)C[C@@H](C)C1 ZINC000007224764 471599302 /nfs/dbraw/zinc/59/93/02/471599302.db2.gz YRSCEPYBHFNSHI-ZACQAIPSSA-N 0 3 345.487 2.828 40 0 EFABHN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008266800 471676648 /nfs/dbraw/zinc/67/66/48/471676648.db2.gz KNUMYPWPQPYLBT-IJEWVQPXSA-N 0 3 329.444 2.625 40 0 EFABHN O=C1NC[C@@]2(CCCN(CCc3ccccc3)C2)Oc2ccccc21 ZINC000012086789 471764070 /nfs/dbraw/zinc/76/40/70/471764070.db2.gz RBEJOPKINPIWEV-OAQYLSRUSA-N 0 3 336.435 2.886 40 0 EFABHN O=C(C1CC1)N1CCCc2cc([C@@H](O)CN3CCCCC3)ccc21 ZINC000012291508 471770844 /nfs/dbraw/zinc/77/08/44/471770844.db2.gz WYBAIWKIBFDCCN-IBGZPJMESA-N 0 3 328.456 2.895 40 0 EFABHN CC(C)Cn1cc2c(n1)nc(N1CCNCC1)cc2C(F)(F)F ZINC000012398899 471774438 /nfs/dbraw/zinc/77/44/38/471774438.db2.gz NBQLCIFCFKBXMF-UHFFFAOYSA-N 0 3 327.354 2.516 40 0 EFABHN Cc1cc(-c2snnc2[C@H]2CCCN(C[C@@H]3CCOC3)C2)on1 ZINC000013226073 471822493 /nfs/dbraw/zinc/82/24/93/471822493.db2.gz NFIQCQLVOZRRFG-STQMWFEESA-N 0 3 334.445 2.717 40 0 EFABHN COc1cc(C)ccc1CN1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019134107 471977517 /nfs/dbraw/zinc/97/75/17/471977517.db2.gz YSMYCFBFYMBYPU-SFHVURJKSA-N 0 3 338.455 2.776 40 0 EFABHN CCN(C(=O)CCOC)[C@H]1CCO[C@@H](c2ccc(CN(C)C)cc2)C1 ZINC000019711618 471983098 /nfs/dbraw/zinc/98/30/98/471983098.db2.gz GIVFUXVRMWSPOG-RBUKOAKNSA-N 0 3 348.487 2.853 40 0 EFABHN Cc1ccc([C@@H](O)CN2CCO[C@H](CN3CCCCC3)C2)c(C)c1 ZINC000036734424 472005549 /nfs/dbraw/zinc/00/55/49/472005549.db2.gz BOPTVRBZIJZKMO-QUCCMNQESA-N 0 3 332.488 2.524 40 0 EFABHN CCOc1ccccc1OCCN1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000075644818 472175682 /nfs/dbraw/zinc/17/56/82/472175682.db2.gz KCTNKKUNXZGTLP-KRWDZBQOSA-N 0 3 348.487 2.649 40 0 EFABHN CN1CCN(C2(CNC(=O)Nc3ccccc3)CCCCC2)CC1 ZINC000028579961 472230437 /nfs/dbraw/zinc/23/04/37/472230437.db2.gz FMGFXXYYMDUZHY-UHFFFAOYSA-N 0 3 330.476 2.758 40 0 EFABHN C[C@H]1CN(CCCCNC(=O)[C@@H]2CSc3ccccc32)C[C@H](C)O1 ZINC000085456844 472249364 /nfs/dbraw/zinc/24/93/64/472249364.db2.gz CQYLRDKBAXXDPX-YQQAZPJKSA-N 0 3 348.512 2.882 40 0 EFABHN O=C1[C@@H](NCc2cc[nH]c2)CCCN1c1ccc(OC(F)F)cc1 ZINC000086255234 472277021 /nfs/dbraw/zinc/27/70/21/472277021.db2.gz XEEYPYSSJKUZIC-HNNXBMFYSA-N 0 3 335.354 2.901 40 0 EFABHN O=C1[C@H](NCc2cc[nH]c2)CCCN1c1ccc(OC(F)F)cc1 ZINC000086255236 472277585 /nfs/dbraw/zinc/27/75/85/472277585.db2.gz XEEYPYSSJKUZIC-OAHLLOKOSA-N 0 3 335.354 2.901 40 0 EFABHN c1cc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)cc2c1OCC2 ZINC000097103454 472447289 /nfs/dbraw/zinc/44/72/89/472447289.db2.gz SATJHKJSRFJXMF-INIZCTEOSA-N 0 3 341.411 2.987 40 0 EFABHN CCCN(CCc1nc(-c2ccccc2)no1)Cc1cnn(C)c1 ZINC000077283615 472492500 /nfs/dbraw/zinc/49/25/00/472492500.db2.gz GSMFBGNZRZTDRA-UHFFFAOYSA-N 0 3 325.416 2.925 40 0 EFABHN Cc1nc([C@@H](NC2CCN(C)CC2)c2ccc(Cl)c(F)c2)no1 ZINC000097378243 472495133 /nfs/dbraw/zinc/49/51/33/472495133.db2.gz UGCBBHXFOFAQHL-HNNXBMFYSA-N 0 3 338.814 2.944 40 0 EFABHN CCN1CCC[C@@](O)(CN2CCc3[nH]c4ccc(F)cc4c3C2)C1 ZINC000046087868 472510524 /nfs/dbraw/zinc/51/05/24/472510524.db2.gz PFVZJFGECIWPMA-IBGZPJMESA-N 0 3 331.435 2.512 40 0 EFABHN COc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000070928396 472525372 /nfs/dbraw/zinc/52/53/72/472525372.db2.gz QAHWUOQOZCZGLY-UHFFFAOYSA-N 0 3 325.412 2.737 40 0 EFABHN CC(C)(C)OC(=O)N1CCC[C@H]1c1cccnc1N1CCNCC1 ZINC000072216340 472635153 /nfs/dbraw/zinc/63/51/53/472635153.db2.gz AIDGGMOGTVXPPN-HNNXBMFYSA-N 0 3 332.448 2.563 40 0 EFABHN Cc1ccc(Oc2cc(C)nc([C@H]3CCCCN3C(=O)CN)n2)cc1 ZINC000072363216 472663188 /nfs/dbraw/zinc/66/31/88/472663188.db2.gz GLGMORRRDPQBLR-MRXNPFEDSA-N 0 3 340.427 2.898 40 0 EFABHN Cc1cc(NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)n2ncnc2n1 ZINC000078338111 472698538 /nfs/dbraw/zinc/69/85/38/472698538.db2.gz QJLQQKPCMNBFNY-BBRMVZONSA-N 0 3 342.472 2.989 40 0 EFABHN CC[C@@H]1c2ccccc2CCN1C(=O)CCN1CCN(CC)CC1 ZINC000073678758 472851430 /nfs/dbraw/zinc/85/14/30/472851430.db2.gz ZJVWMGYQYIOMGK-LJQANCHMSA-N 0 3 329.488 2.550 40 0 EFABHN COC(=O)c1cccc(NC(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1 ZINC000048326315 472857123 /nfs/dbraw/zinc/85/71/23/472857123.db2.gz ORKKBJFDLPYQPL-KBPBESRZSA-N 0 3 333.432 2.715 40 0 EFABHN Cn1cncc1-c1nnc([C@H]2CCN(Cc3ccc(F)c(F)c3)C2)o1 ZINC000049170454 472933474 /nfs/dbraw/zinc/93/34/74/472933474.db2.gz VGYZJMKDFZDVNM-LBPRGKRZSA-N 0 3 345.353 2.738 40 0 biogenic,in-vitro EFABHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(=O)[nH]c2ccccc21 ZINC000065514722 472961335 /nfs/dbraw/zinc/96/13/35/472961335.db2.gz CESIPWNCKGHGNU-INIZCTEOSA-N 0 3 347.418 2.945 40 0 EFABHN Cc1ccc(CN2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC000107746776 472979434 /nfs/dbraw/zinc/97/94/34/472979434.db2.gz GESCCDCBNGHGCD-MSOLQXFVSA-N 0 3 343.496 2.927 40 0 EFABHN CC(C)(C)/C=C/C(=O)Nc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000074565900 473029164 /nfs/dbraw/zinc/02/91/64/473029164.db2.gz JIKHGUWLHXZFMG-ZNFPLGDCSA-N 0 3 343.471 2.925 40 0 EFABHN Cc1ncsc1CN1CCC2(CC(NC(=O)c3ccncc3)C2)C1 ZINC000108531822 473035239 /nfs/dbraw/zinc/03/52/39/473035239.db2.gz YLHCQWHSHYHGPR-UHFFFAOYSA-N 0 3 342.468 2.631 40 0 EFABHN COCCN1CCCC2(CCN(Cc3cccc(F)c3C)CC2)C1=O ZINC000108528721 473035646 /nfs/dbraw/zinc/03/56/46/473035646.db2.gz OPEMXOYVJUBJFJ-UHFFFAOYSA-N 0 3 348.462 2.985 40 0 EFABHN O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@]12CCN(Cc1ccncc1)C2 ZINC000108530801 473036043 /nfs/dbraw/zinc/03/60/43/473036043.db2.gz GHPUNOUHEONLGO-SJLPKXTDSA-N 0 3 349.425 2.988 40 0 EFABHN COc1cccc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)n1 ZINC000108527069 473036467 /nfs/dbraw/zinc/03/64/67/473036467.db2.gz CAWRHIMPIGMXPX-YLJYHZDGSA-N 0 3 343.471 2.705 40 0 EFABHN Cc1cccc(N2CCN(C(=O)CC3CCN(C)CC3)CC2)c1C ZINC000074920957 473094538 /nfs/dbraw/zinc/09/45/38/473094538.db2.gz UIFHKLWEEJBBDD-UHFFFAOYSA-N 0 3 329.488 2.684 40 0 EFABHN Cc1cc(C(=O)NC[C@H](c2cn(C)c3ccccc23)N(C)C)no1 ZINC000075149133 473140903 /nfs/dbraw/zinc/14/09/03/473140903.db2.gz ZKMJPCHTMVGIMF-QGZVFWFLSA-N 0 3 326.400 2.507 40 0 EFABHN Cc1nc(-c2ccccc2NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)no1 ZINC000110686009 473171635 /nfs/dbraw/zinc/17/16/35/473171635.db2.gz NAZLVLZCJLFUDR-MLGOLLRUSA-N 0 3 343.431 2.849 40 0 EFABHN Cc1ccc2c(c1)OCCC[C@H]2NC[C@H](c1cnn(C)c1)N(C)C ZINC000095422633 473201501 /nfs/dbraw/zinc/20/15/01/473201501.db2.gz LKGFPLKSJHXDAJ-QZTJIDSGSA-N 0 3 328.460 2.835 40 0 EFABHN C[C@@H]1C[C@@H](N(C)C(=O)COCC2CC2)CCN1Cc1ccccc1 ZINC000096413965 473393402 /nfs/dbraw/zinc/39/34/02/473393402.db2.gz GSJZLFRBJYMDHX-APWZRJJASA-N 0 3 330.472 2.925 40 0 EFABHN Cc1cc(NC(=O)c2cnccn2)cc(N2CCN(C(C)C)CC2)c1 ZINC000190789070 473393783 /nfs/dbraw/zinc/39/37/83/473393783.db2.gz YCVMRONFCHJREB-UHFFFAOYSA-N 0 3 339.443 2.568 40 0 EFABHN CC(C)[C@H](C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1)N(C)C ZINC000096417209 473395981 /nfs/dbraw/zinc/39/59/81/473395981.db2.gz KCWPNBDYENQVDR-RHSMWYFYSA-N 0 3 337.439 2.941 40 0 EFABHN CC(C)[C@@H](C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1)N(C)C ZINC000096417208 473396182 /nfs/dbraw/zinc/39/61/82/473396182.db2.gz KCWPNBDYENQVDR-PBHICJAKSA-N 0 3 337.439 2.941 40 0 EFABHN Cn1cc([C@@H]2C[C@@H]2C(=O)N(CCN2CCCC2)c2ccccc2)cn1 ZINC000096416793 473396266 /nfs/dbraw/zinc/39/62/66/473396266.db2.gz FBQPFBLCORLHIN-OALUTQOASA-N 0 3 338.455 2.653 40 0 EFABHN Cc1c(Cl)cc(NC(=O)NCC2(O)CCN(C)CC2)cc1Cl ZINC000096420156 473399632 /nfs/dbraw/zinc/39/96/32/473399632.db2.gz YOQCKMFBAONJOK-UHFFFAOYSA-N 0 3 346.258 2.880 40 0 EFABHN COc1ncccc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000096423084 473401229 /nfs/dbraw/zinc/40/12/29/473401229.db2.gz VDYFGYFKLJHHTM-XJKSGUPXSA-N 0 3 345.468 2.965 40 0 EFABHN C[C@H](C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1)n1cccn1 ZINC000096423082 473401567 /nfs/dbraw/zinc/40/15/67/473401567.db2.gz ZKCXIAUNGKQOHT-FMKPAKJESA-N 0 3 332.473 2.705 40 0 EFABHN Cc1cccc(CN(CCN(C)C)C(=O)c2nc(C)ncc2Cl)c1 ZINC000096425111 473403635 /nfs/dbraw/zinc/40/36/35/473403635.db2.gz CGYBBIZKUQPWGM-UHFFFAOYSA-N 0 3 346.862 2.951 40 0 EFABHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc3ncccc32)[C@H](C)C1 ZINC000096428232 473408025 /nfs/dbraw/zinc/40/80/25/473408025.db2.gz SWBYJJDDYXSHNL-RHSMWYFYSA-N 0 3 347.484 2.586 40 0 EFABHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc3ncccc32)[C@H](C)C1 ZINC000096428231 473408193 /nfs/dbraw/zinc/40/81/93/473408193.db2.gz SWBYJJDDYXSHNL-PBHICJAKSA-N 0 3 347.484 2.586 40 0 EFABHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000096434837 473413784 /nfs/dbraw/zinc/41/37/84/473413784.db2.gz FDEFCIJSSJLEBP-CQSZACIVSA-N 0 3 327.432 2.882 40 0 EFABHN Cc1n[nH]cc1CCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000096436276 473415240 /nfs/dbraw/zinc/41/52/40/473415240.db2.gz OWRRRDMGCDLZIO-UHFFFAOYSA-N 0 3 340.427 2.889 40 0 EFABHN Cc1ccc([C@H](O)CN2CCC(C(=O)Nc3ccccn3)CC2)cc1 ZINC000096435740 473415736 /nfs/dbraw/zinc/41/57/36/473415736.db2.gz VSDZVYOFASOKCR-GOSISDBHSA-N 0 3 339.439 2.774 40 0 EFABHN Cc1ccc(CNC(=O)C2CCN(C[C@@H]3CCCCO3)CC2)cc1 ZINC000096447080 473425409 /nfs/dbraw/zinc/42/54/09/473425409.db2.gz PNXNIBVSZNQJBE-IBGZPJMESA-N 0 3 330.472 2.892 40 0 EFABHN Cc1nn(C)c(C)c1CNCCNc1ncc(Cl)cc1Cl ZINC000096447833 473426631 /nfs/dbraw/zinc/42/66/31/473426631.db2.gz FRWZQLOMMPVBBC-UHFFFAOYSA-N 0 3 328.247 2.940 40 0 EFABHN CN1CCC(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)CC1 ZINC000113972541 473430120 /nfs/dbraw/zinc/43/01/20/473430120.db2.gz PVAYKXBYFZJWEH-INIZCTEOSA-N 0 3 349.906 2.762 40 0 EFABHN C[S@](=O)c1ccc(CNCc2cccc(-n3ccnc3)c2)cc1 ZINC000096461186 473433751 /nfs/dbraw/zinc/43/37/51/473433751.db2.gz DMZXWOSWKXYAPW-HSZRJFAPSA-N 0 3 325.437 2.900 40 0 EFABHN O=C(CCOC1CCOCC1)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000096460671 473433814 /nfs/dbraw/zinc/43/38/14/473433814.db2.gz HLIYOVZPQAJTFZ-QGZVFWFLSA-N 0 3 344.455 2.583 40 0 EFABHN Cc1cc(NC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)ccc1C(=O)N(C)C ZINC000096476007 473439186 /nfs/dbraw/zinc/43/91/86/473439186.db2.gz SNPZSEBPSANLSW-YOEHRIQHSA-N 0 3 346.475 2.501 40 0 EFABHN C[C@H](NC[C@@H](c1ccccc1)N1CCOCC1)c1cncc(F)c1 ZINC000096476455 473439751 /nfs/dbraw/zinc/43/97/51/473439751.db2.gz DHOJUGKNSLRKBS-KXBFYZLASA-N 0 3 329.419 2.945 40 0 EFABHN C[C@@H](NC[C@@H]1CCCS1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000096479288 473440797 /nfs/dbraw/zinc/44/07/97/473440797.db2.gz HEBOVJSZCSHYDP-CJNGLKHVSA-N 0 3 340.514 2.773 40 0 EFABHN C[C@@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)C[C@H](c2ccc(F)cc2)O1 ZINC000096481286 473441466 /nfs/dbraw/zinc/44/14/66/473441466.db2.gz CQPUWCKSAKXXDN-MDASCCDHSA-N 0 3 342.414 2.684 40 0 EFABHN NC(=O)[C@H]1CCC[C@@H](NCc2cc(F)ccc2Br)C1 ZINC000096485569 473445080 /nfs/dbraw/zinc/44/50/80/473445080.db2.gz SYAVMTSBIDGSMN-JOYOIKCWSA-N 0 3 329.213 2.722 40 0 EFABHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCCc1cccc2cccnc21 ZINC000096491565 473447799 /nfs/dbraw/zinc/44/77/99/473447799.db2.gz PBJLHORNCRPZAF-IAGOWNOFSA-N 0 3 332.469 2.723 40 0 EFABHN C[C@@H](CS(C)(=O)=O)NCC1(c2ccccc2Br)CC1 ZINC000096491667 473447980 /nfs/dbraw/zinc/44/79/80/473447980.db2.gz RQZYWLIPXYQQEA-NSHDSACASA-N 0 3 346.290 2.503 40 0 EFABHN CN(C)Cc1ccc(C(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 ZINC000096493021 473449029 /nfs/dbraw/zinc/44/90/29/473449029.db2.gz DLJWKIZEFOKXEL-KRWDZBQOSA-N 0 3 332.444 2.554 40 0 EFABHN CCOC(=O)N1CCC(N[C@H](c2nnc3ccccn32)C(C)C)CC1 ZINC000096495247 473450123 /nfs/dbraw/zinc/45/01/23/473450123.db2.gz HSFMIAPQZKTNHS-INIZCTEOSA-N 0 3 345.447 2.637 40 0 EFABHN C[C@@H]1C[C@H](NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)CN1C1CC1 ZINC000096494728 473450136 /nfs/dbraw/zinc/45/01/36/473450136.db2.gz OJWDBIMJXXMDKB-PWSUYJOCSA-N 0 3 341.377 2.871 40 0 EFABHN C[C@H]1C[C@@H](NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)CN1C1CC1 ZINC000096494731 473450807 /nfs/dbraw/zinc/45/08/07/473450807.db2.gz OJWDBIMJXXMDKB-CMPLNLGQSA-N 0 3 341.377 2.871 40 0 EFABHN COc1ccc(S(=O)(=O)[N-]c2cccc(C[NH+](C)C)c2)cc1F ZINC000153879006 473647190 /nfs/dbraw/zinc/64/71/90/473647190.db2.gz ZSIWOQQVQXOPSO-UHFFFAOYSA-N 0 3 338.404 2.697 40 0 EFABHN CSc1ccccc1S(=O)(=O)N1CCC(N2CCCC2)CC1 ZINC000186985246 473795061 /nfs/dbraw/zinc/79/50/61/473795061.db2.gz BWZSADYVBICBET-UHFFFAOYSA-N 0 3 340.514 2.657 40 0 EFABHN C[C@@H](CN[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(Cl)c1 ZINC000187975291 473950106 /nfs/dbraw/zinc/95/01/06/473950106.db2.gz ICYOFGPLAUHLOG-LRDDRELGSA-N 0 3 332.835 2.572 40 0 EFABHN COc1cccc2c1CCC[C@@H]2NCc1cccc(OCC(N)=O)c1 ZINC000194903732 473973139 /nfs/dbraw/zinc/97/31/39/473973139.db2.gz WPGMFVZJDANDSR-SFHVURJKSA-N 0 3 340.423 2.727 40 0 EFABHN CS[C@@H](CN[C@H]1CCCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000195549812 474092520 /nfs/dbraw/zinc/09/25/20/474092520.db2.gz HZMOYUDQSCWKEE-KBPBESRZSA-N 0 3 333.906 2.911 40 0 EFABHN CC(C)Oc1ccc2c(c1)[C@H](N[C@@H](C)CS(C)(=O)=O)CCC2 ZINC000195549902 474093078 /nfs/dbraw/zinc/09/30/78/474093078.db2.gz KWWVLAYYQJACGR-SUMWQHHRSA-N 0 3 325.474 2.874 40 0 EFABHN C[C@@H](NC[C@@]1(O)CCOC1)c1cc2cc(Br)ccc2o1 ZINC000182073951 474093212 /nfs/dbraw/zinc/09/32/12/474093212.db2.gz XKTKINUAEFXICG-BMIGLBTASA-N 0 3 340.217 2.997 40 0 EFABHN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc(CCO)cc1 ZINC000195551659 474094134 /nfs/dbraw/zinc/09/41/34/474094134.db2.gz DTYQXVLCKIQUCK-UZLBHIALSA-N 0 3 325.456 2.939 40 0 EFABHN CC[C@@H]1C[C@H](C(=O)N2CCC[C@@H](NCc3ccccc3)C2)CCO1 ZINC000195556379 474094690 /nfs/dbraw/zinc/09/46/90/474094690.db2.gz FYBWMCVRSYFLOX-GUDVDZBRSA-N 0 3 330.472 2.972 40 0 EFABHN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)s1 ZINC000223253200 474182321 /nfs/dbraw/zinc/18/23/21/474182321.db2.gz QFTWNQWPNFVBNJ-CVEARBPZSA-N 0 3 346.525 2.986 40 0 EFABHN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)s1 ZINC000223253313 474182774 /nfs/dbraw/zinc/18/27/74/474182774.db2.gz QFTWNQWPNFVBNJ-HOTGVXAUSA-N 0 3 346.525 2.986 40 0 EFABHN Cc1nnsc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000225418147 474209910 /nfs/dbraw/zinc/20/99/10/474209910.db2.gz YZSFABCRSHPGQK-BBRMVZONSA-N 0 3 344.484 2.829 40 0 EFABHN CC(=O)Nc1cccc(NC(=O)C2CCN(Cc3ccc[nH]3)CC2)c1 ZINC000225413091 474210372 /nfs/dbraw/zinc/21/03/72/474210372.db2.gz HICIMPZNBQVQES-UHFFFAOYSA-N 0 3 340.427 2.824 40 0 EFABHN CN1CCC(Oc2ccc(CNC(=O)Nc3ccccn3)cc2)CC1 ZINC000225434750 474211709 /nfs/dbraw/zinc/21/17/09/474211709.db2.gz SUWYZZDUKIAQDN-UHFFFAOYSA-N 0 3 340.427 2.876 40 0 EFABHN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000247872864 474218026 /nfs/dbraw/zinc/21/80/26/474218026.db2.gz MJPOGOHNSAYGGM-ATLSCFEFSA-N 0 3 340.471 2.612 40 0 EFABHN CC[C@@H](NC[C@]1(O)CCOC1)c1cc(F)cc(Br)c1 ZINC000225549841 474223394 /nfs/dbraw/zinc/22/33/94/474223394.db2.gz YOFMMBOGDCXWQS-ZIAGYGMSSA-N 0 3 332.213 2.780 40 0 EFABHN Cc1cc(CN2CCC(CNC(=O)NC3CCOCC3)CC2)c(C)o1 ZINC000225553526 474223673 /nfs/dbraw/zinc/22/36/73/474223673.db2.gz PXEFOFRKIIMCGV-UHFFFAOYSA-N 0 3 349.475 2.587 40 0 EFABHN c1ccc2c(c1)OC[C@@H](CN[C@H](c1cccnc1)C1CCOCC1)O2 ZINC000225572973 474226445 /nfs/dbraw/zinc/22/64/45/474226445.db2.gz JKYUMTOANXVWKX-XLIONFOSSA-N 0 3 340.423 2.979 40 0 EFABHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)Cc1cccnc1 ZINC000248025335 474246887 /nfs/dbraw/zinc/24/68/87/474246887.db2.gz GNLSMPCFSDFWLS-YLJYHZDGSA-N 0 3 337.467 2.993 40 0 EFABHN CC1(C)[C@H](N[C@@H]2CCN(CCCc3ccccc3)C2=O)[C@@H]2CCO[C@H]21 ZINC000230189169 474260109 /nfs/dbraw/zinc/26/01/09/474260109.db2.gz MESKWGARZPHVJP-WJFTUGDTSA-N 0 3 342.483 2.623 40 0 EFABHN CCn1nccc1CN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248578987 474365136 /nfs/dbraw/zinc/36/51/36/474365136.db2.gz FCAAIRZFWYLOPY-CWRNSKLLSA-N 0 3 334.464 2.638 40 0 EFABHN Cn1nccc1CN[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000241316784 474554427 /nfs/dbraw/zinc/55/44/27/474554427.db2.gz LUWOZZGAHDBNHZ-LBPRGKRZSA-N 0 3 340.349 2.687 40 0 EFABHN C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000245339364 474574820 /nfs/dbraw/zinc/57/48/20/474574820.db2.gz SGEJTEPXQJUNIM-JTDSTZFVSA-N 0 3 338.455 2.962 40 0 EFABHN CCO[C@@H]1C[C@H](N(C)C[C@H]2CCCS(=O)(=O)C2)C1(CC)CC ZINC000252490341 474675211 /nfs/dbraw/zinc/67/52/11/474675211.db2.gz KPYJNTFBBJAAGH-OWCLPIDISA-N 0 3 331.522 2.727 40 0 EFABHN CC(C)COCCN1CCC(n2cc(Br)cn2)CC1 ZINC000252494990 474678346 /nfs/dbraw/zinc/67/83/46/474678346.db2.gz OKAZUBDBTVICMK-UHFFFAOYSA-N 0 3 330.270 2.955 40 0 EFABHN O=C(Nc1ccc2c(c1)OCC(=O)N2)[C@H]1CCCCN1C1CCCC1 ZINC000252505148 474683080 /nfs/dbraw/zinc/68/30/80/474683080.db2.gz VPSCAFLRRKQLIS-MRXNPFEDSA-N 0 3 343.427 2.753 40 0 EFABHN C[C@@H]1CCCN(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)C1 ZINC000252539002 474695825 /nfs/dbraw/zinc/69/58/25/474695825.db2.gz NQUJIBFSHIZXMR-VQIMIIECSA-N 0 3 345.487 2.585 40 0 EFABHN COc1ccccc1N1CCC[C@H](N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1=O ZINC000253370600 474728828 /nfs/dbraw/zinc/72/88/28/474728828.db2.gz SZJBLFAIOLAPSK-LTCOOKNTSA-N 0 3 344.455 2.594 40 0 EFABHN Cc1cc(N)cc([C@H]2CN(C(=O)c3cc4ccccc4[nH]3)CCO2)n1 ZINC000257237543 474926481 /nfs/dbraw/zinc/92/64/81/474926481.db2.gz HHAAIVZSMGPCBI-GOSISDBHSA-N 0 3 336.395 2.667 40 0 EFABHN CCCCc1ncc(CN2CCO[C@H](CCc3ccnc(N)c3)C2)[nH]1 ZINC000257281012 474929195 /nfs/dbraw/zinc/92/91/95/474929195.db2.gz ONHFEFVXVKPGLF-QGZVFWFLSA-N 0 3 343.475 2.563 40 0 EFABHN Cn1cncc1-c1cncc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000257300763 474941388 /nfs/dbraw/zinc/94/13/88/474941388.db2.gz RVPCCTOOHPQWFG-MRXNPFEDSA-N 0 3 334.427 2.652 40 0 EFABHN Cc1cc(N)cc([C@H]2CN(C(=O)c3cnc4ccccc4c3)CCO2)n1 ZINC000257309081 474944592 /nfs/dbraw/zinc/94/45/92/474944592.db2.gz TZLMMPYGELBZQV-LJQANCHMSA-N 0 3 348.406 2.734 40 0 EFABHN Cc1cc(C)nc([C@@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257308581 474944944 /nfs/dbraw/zinc/94/49/44/474944944.db2.gz TXGWDAMUVIIPIR-MRXNPFEDSA-N 0 3 325.412 2.854 40 0 EFABHN CCOc1ccc(CN2CC[C@@H](c3nc(C)cn3C)C2)cc1CO ZINC000257315669 474949215 /nfs/dbraw/zinc/94/92/15/474949215.db2.gz VCIOAGBTXLXHJT-MRXNPFEDSA-N 0 3 329.444 2.609 40 0 EFABHN Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3n[nH]c4ccccc43)C2)n1 ZINC000257321869 474953718 /nfs/dbraw/zinc/95/37/18/474953718.db2.gz WDPMSVXSQCTPCT-CQSZACIVSA-N 0 3 349.438 2.962 40 0 EFABHN CCOc1ccc(CN2CCC(c3cnccn3)CC2)cc1CO ZINC000257326540 474955538 /nfs/dbraw/zinc/95/55/38/474955538.db2.gz WXOXKYXWDYNHAY-UHFFFAOYSA-N 0 3 327.428 2.747 40 0 EFABHN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](N(Cc2ccccc2)CC2CC2)C1 ZINC000257325591 474955712 /nfs/dbraw/zinc/95/57/12/474955712.db2.gz WTQJLVJMPGEPMB-QZTJIDSGSA-N 0 3 346.471 2.879 40 0 EFABHN Cc1ncsc1CN1CC[C@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 ZINC000257326501 474956127 /nfs/dbraw/zinc/95/61/27/474956127.db2.gz WXJZGMSIMJCMOL-CYBMUJFWSA-N 0 3 340.456 2.696 40 0 EFABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)CC2CCCC2)C1 ZINC000257325327 474956391 /nfs/dbraw/zinc/95/63/91/474956391.db2.gz WSNATRCTBUOTAE-HXUWFJFHSA-N 0 3 348.462 2.801 40 0 EFABHN Cc1cncc([C@@H]2CCCN(Cc3cccc(OCCO)c3)C2)n1 ZINC000257328647 474957027 /nfs/dbraw/zinc/95/70/27/474957027.db2.gz XGOMGUTUVYRJJG-QGZVFWFLSA-N 0 3 327.428 2.536 40 0 EFABHN CO[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[C@@]12CCCO2 ZINC000257336731 474961236 /nfs/dbraw/zinc/96/12/36/474961236.db2.gz YPTPZNLVGXVMOQ-HKUYNNGSSA-N 0 3 327.428 2.847 40 0 EFABHN Cn1cccc1C(=O)N1CCC[C@H]1c1ccc(CN2CCCC2)cn1 ZINC000257340720 474963867 /nfs/dbraw/zinc/96/38/67/474963867.db2.gz ZHHDHIJNRSIVQJ-SFHVURJKSA-N 0 3 338.455 2.993 40 0 EFABHN C[C@H](NC(=O)[C@H]1CCC(=O)c2cccn21)[C@@H]1CCCN(C2CCC2)C1 ZINC000332920796 475782313 /nfs/dbraw/zinc/78/23/13/475782313.db2.gz JVJPDIGGWGPURO-HDMKZQKVSA-N 0 3 343.471 2.775 40 0 EFABHN C[C@@H]1C[C@@H](NC(=O)Cc2cc(Br)ccc2F)CCN1C ZINC000390835085 476806346 /nfs/dbraw/zinc/80/63/46/476806346.db2.gz CGRYFZYUAWPFHG-MFKMUULPSA-N 0 3 343.240 2.730 40 0 EFABHN C[C@@H]1Cc2nnc(COc3ncccc3F)n2CCN1C1CCCC1 ZINC000585098176 479281531 /nfs/dbraw/zinc/28/15/31/479281531.db2.gz QTRRBFIFGPDMAC-CYBMUJFWSA-N 0 3 345.422 2.580 40 0 EFABHN CC(C)CN1C[C@]2(CC1=O)COCCN([C@@H](C)c1ccccc1)C2 ZINC000585103727 479284524 /nfs/dbraw/zinc/28/45/24/479284524.db2.gz FNYXVIYOFPNUEI-FXAWDEMLSA-N 0 3 330.472 2.955 40 0 EFABHN CN1CC[C@@H](COCc2cccnc2)CC12CN(Cc1ccco1)C2 ZINC000585102966 479284756 /nfs/dbraw/zinc/28/47/56/479284756.db2.gz MNZPYIPDUMCBCG-QGZVFWFLSA-N 0 3 341.455 2.788 40 0 EFABHN c1ccc(CO[C@@H]2CSC3(CN(CC4CCOCC4)C3)C2)nc1 ZINC000585103326 479284849 /nfs/dbraw/zinc/28/48/49/479284849.db2.gz ARAJYVOYQJZFFN-KRWDZBQOSA-N 0 3 334.485 2.585 40 0 EFABHN CN1CC[C@H](COCc2cccnc2)CC12CN(Cc1ccco1)C2 ZINC000585102964 479285121 /nfs/dbraw/zinc/28/51/21/479285121.db2.gz MNZPYIPDUMCBCG-KRWDZBQOSA-N 0 3 341.455 2.788 40 0 EFABHN Fc1cccnc1O[C@H]1CSC2(CN(CC3CCOCC3)C2)C1 ZINC000585105195 479285884 /nfs/dbraw/zinc/28/58/84/479285884.db2.gz PXNURGKEDXSTBR-CQSZACIVSA-N 0 3 338.448 2.586 40 0 EFABHN Cc1cccc(CO[C@H]2CSC3(CN(C4CCOCC4)C3)C2)n1 ZINC000585105385 479286029 /nfs/dbraw/zinc/28/60/29/479286029.db2.gz VSRPGIDSGVVDPN-QGZVFWFLSA-N 0 3 334.485 2.646 40 0 EFABHN CN(Cc1cnn(C)c1)CC(C)(C)C(=O)NCc1ccccc1Cl ZINC000585140959 479298560 /nfs/dbraw/zinc/29/85/60/479298560.db2.gz MIOQAUIKQLUXBD-UHFFFAOYSA-N 0 3 348.878 2.848 40 0 EFABHN O=C(N(c1cccnc1)C1CCN(CCCF)CC1)C(F)(F)F ZINC000585141265 479298717 /nfs/dbraw/zinc/29/87/17/479298717.db2.gz SIYOHJJAXFKWTC-UHFFFAOYSA-N 0 3 333.329 2.801 40 0 EFABHN CN(Cc1ccc(OCCF)cc1)C[C@H](O)COc1ccccc1 ZINC000585270301 479302920 /nfs/dbraw/zinc/30/29/20/479302920.db2.gz TZOQMHRKVDTDIY-KRWDZBQOSA-N 0 3 333.403 2.907 40 0 EFABHN CN(C)Cc1cnc([C@H]2CN(Cc3ccc4[nH]ccc4c3)CCO2)[nH]1 ZINC000585182596 479303639 /nfs/dbraw/zinc/30/36/39/479303639.db2.gz XIIWGCDOLNKXDV-GOSISDBHSA-N 0 3 339.443 2.526 40 0 EFABHN CNC(=O)CC[C@]1(OC)CCCN(Cc2ccnc3ccccc23)C1 ZINC000585278225 479306771 /nfs/dbraw/zinc/30/67/71/479306771.db2.gz NNZFGRYMMNCKQY-HXUWFJFHSA-N 0 3 341.455 2.742 40 0 EFABHN O[C@]1(COc2cc(F)cc(F)c2)COCCN(C2CCCCC2)C1 ZINC000585281865 479307798 /nfs/dbraw/zinc/30/77/98/479307798.db2.gz CZFSZWQBBBMFKU-SFHVURJKSA-N 0 3 341.398 2.740 40 0 EFABHN COc1cc(C)ccc1CN1C[C@H](c2ccccc2C)[C@@H](O)[C@H]1CO ZINC000585295112 479311079 /nfs/dbraw/zinc/31/10/79/479311079.db2.gz MBWOZDIIXHNGBJ-SFHLNBCPSA-N 0 3 341.451 2.633 40 0 EFABHN CC[C@@H](C(=O)NCC1CCN([C@H]2CCOC2)CC1)c1ccccc1 ZINC000575608370 479451459 /nfs/dbraw/zinc/45/14/59/479451459.db2.gz SKAXBQSIIJANQU-RBUKOAKNSA-N 0 3 330.472 2.797 40 0 EFABHN CCOC(=O)c1cccc(NC(=S)NC2CCN(C)CC2)c1C ZINC000225800134 535701947 /nfs/dbraw/zinc/70/19/47/535701947.db2.gz YNZSPVBJJPJETO-UHFFFAOYSA-N 0 3 335.473 2.552 40 0 EFABHN CN1CCC(NC(=O)CSCc2ccc(Cl)cc2F)CC1 ZINC000224946881 536341000 /nfs/dbraw/zinc/34/10/00/536341000.db2.gz IBRJAZUYJCXFQZ-UHFFFAOYSA-N 0 3 330.856 2.923 40 0 EFABHN CN1CCC(c2cncc(N3CC4(CCCCC4)OC3=O)n2)CC1 ZINC000257206991 536346030 /nfs/dbraw/zinc/34/60/30/536346030.db2.gz BFTKOIZVAYHNOI-UHFFFAOYSA-N 0 3 330.432 2.945 40 0 EFABHN CN1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1c[nH]c(=O)[nH]1 ZINC000257244073 536359451 /nfs/dbraw/zinc/35/94/51/536359451.db2.gz IJSXKEVZEHZXEX-YESZJQIVSA-N 0 3 340.427 2.555 40 0 EFABHN COc1cc(C)ccc1OCC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C ZINC000257249113 536670175 /nfs/dbraw/zinc/67/01/75/536670175.db2.gz JGWJVIQLUGOQBS-ICSRJNTNSA-N 0 3 346.471 2.858 40 0 EFABHN COC[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218444008 536680814 /nfs/dbraw/zinc/68/08/14/536680814.db2.gz CMCXQBLTVDMMBV-GBESFXJTSA-N 0 3 345.464 2.526 40 0 EFABHN OC1(CNCc2cccc(OC3CC3)c2F)Cc2ccccc2C1 ZINC000657371503 547134353 /nfs/dbraw/zinc/13/43/53/547134353.db2.gz WTZHVTMEEPAPIQ-UHFFFAOYSA-N 0 3 327.399 2.986 40 0 EFABHN C=Cn1cc(CN[C@@H](C)[C@H](O)c2ccc(Br)cc2)cn1 ZINC000225583057 564149806 /nfs/dbraw/zinc/14/98/06/564149806.db2.gz OBHPLWKJRSLCDZ-NHYWBVRUSA-N 0 3 336.233 2.958 40 0 EFABHN O=C(c1cc(F)ccc1F)N(CCN1CCCC1)C1CCOCC1 ZINC000675022714 1099658725 /nfs/dbraw/zinc/65/87/25/1099658725.db2.gz SPXXFRHTANDQMN-UHFFFAOYSA-N 0 3 338.398 2.682 40 0 EFABHN CN(C)CCOC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000004697452 210250790 /nfs/dbraw/zinc/25/07/90/210250790.db2.gz KWZKQVMUNLPZPC-OBGWFSINSA-N 0 3 338.407 2.562 40 0 EFABHN CCOC(=O)[C@@H]1CCCN(C[C@H](O)COc2cc(C)cc(C)c2C)C1 ZINC000004305219 210165303 /nfs/dbraw/zinc/16/53/03/210165303.db2.gz RGKJDDDODPIFDE-MSOLQXFVSA-N 0 3 349.471 2.627 40 0 EFABHN Cc1nnc(-c2ccc(NC(=O)N3CC[C@H](N4CC=CC4)C3)cc2)o1 ZINC000102698212 219223394 /nfs/dbraw/zinc/22/33/94/219223394.db2.gz IJJLPEPAPKTQLU-INIZCTEOSA-N 0 3 339.399 2.523 40 0 EFABHN Cn1ccnc1[C@@](O)(CCNCc1ccc(Cl)o1)C(F)(F)F ZINC000067698769 215189327 /nfs/dbraw/zinc/18/93/27/215189327.db2.gz XNTXOJBGERAXHA-LBPRGKRZSA-N 0 3 337.729 2.596 40 0 EFABHN COCCN1CCC[C@H](c2nccnc2Nc2nc(C)cs2)C1 ZINC000072363495 216169969 /nfs/dbraw/zinc/16/99/69/216169969.db2.gz XVYTUOVBYRBJGO-ZDUSSCGKSA-N 0 3 333.461 2.811 40 0 EFABHN C[C@H](CCO)[NH+]1CCC(c2csc([N-]c3cnccn3)n2)CC1 ZINC000072363700 216170007 /nfs/dbraw/zinc/17/00/07/216170007.db2.gz XUFKYDLIXXOOHH-GFCCVEGCSA-N 0 3 333.461 2.627 40 0 EFABHN COCCN1CCC[C@@H](c2nccnc2Nc2nc(C)cs2)C1 ZINC000072363494 216170213 /nfs/dbraw/zinc/17/02/13/216170213.db2.gz XVYTUOVBYRBJGO-CYBMUJFWSA-N 0 3 333.461 2.811 40 0 EFABHN Cc1cc(C(=O)N(C)Cc2ccccc2)nc(C2CCN(C)CC2)n1 ZINC000072369294 216176355 /nfs/dbraw/zinc/17/63/55/216176355.db2.gz HUUQIUQOLGCKCT-UHFFFAOYSA-N 0 3 338.455 2.866 40 0 EFABHN COCCN1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccccc1 ZINC000072376816 216179806 /nfs/dbraw/zinc/17/98/06/216179806.db2.gz PNGAKSNHOCMZSK-QGZVFWFLSA-N 0 3 326.444 2.993 40 0 EFABHN O=C(NC1CC1)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000072373034 216177923 /nfs/dbraw/zinc/17/79/23/216177923.db2.gz OEOHMXQCTMHLIZ-PMACEKPBSA-N 0 3 348.446 2.896 40 0 EFABHN CNCC(=O)N1CCCC[C@@H]1c1nc(C)cc(Oc2ccccc2)n1 ZINC000072384514 216185864 /nfs/dbraw/zinc/18/58/64/216185864.db2.gz XCXVRLPWQMGBEB-MRXNPFEDSA-N 0 3 340.427 2.850 40 0 EFABHN c1cncc(CN2CCC[C@@H](Cc3ccc(N4CCCC4)nn3)C2)c1 ZINC000072387314 216186976 /nfs/dbraw/zinc/18/69/76/216186976.db2.gz MPHVPCQNYCTHMO-KRWDZBQOSA-N 0 3 337.471 2.927 40 0 EFABHN O=c1cc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393097 216190820 /nfs/dbraw/zinc/19/08/20/216190820.db2.gz RSAXUCTYHLKSNZ-MRXNPFEDSA-N 0 3 347.422 2.607 40 0 EFABHN O=c1cc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393097 216190824 /nfs/dbraw/zinc/19/08/24/216190824.db2.gz RSAXUCTYHLKSNZ-MRXNPFEDSA-N 0 3 347.422 2.607 40 0 EFABHN O=c1cc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392917 216191663 /nfs/dbraw/zinc/19/16/63/216191663.db2.gz VTEXRHLRWGMJFA-QGZVFWFLSA-N 0 3 347.422 2.607 40 0 EFABHN O=c1cc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392917 216191666 /nfs/dbraw/zinc/19/16/66/216191666.db2.gz VTEXRHLRWGMJFA-QGZVFWFLSA-N 0 3 347.422 2.607 40 0 EFABHN Cn1nc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)c2nccnc21 ZINC000072393836 216193075 /nfs/dbraw/zinc/19/30/75/216193075.db2.gz VOTVNDFRZFIFDE-CQSZACIVSA-N 0 3 325.391 2.882 40 0 EFABHN Cn1ncc(Cl)c1CNC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000131024110 223197031 /nfs/dbraw/zinc/19/70/31/223197031.db2.gz RPOHWKLJCUPUNM-LBPRGKRZSA-N 0 3 342.871 2.810 40 0 EFABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccc(F)cc3)C[C@H]21)N1CCCC1 ZINC000096058268 296038917 /nfs/dbraw/zinc/03/89/17/296038917.db2.gz RCBXKANMBKQBLV-CEXWTWQISA-N 0 3 346.446 2.675 40 0 EFABHN Cc1cc(NCc2cnn(C)c2)cc(N2CCN(C(C)C)CC2)c1 ZINC000191679576 239248229 /nfs/dbraw/zinc/24/82/29/239248229.db2.gz NFGSYWQMQPOKGQ-UHFFFAOYSA-N 0 3 327.476 2.871 40 0 EFABHN CCOc1ccc(CN2CCC[C@H](c3nc(C)cn3C)C2)cc1CO ZINC000257339520 240312897 /nfs/dbraw/zinc/31/28/97/240312897.db2.gz ZCBMWMFPHCJZOR-KRWDZBQOSA-N 0 3 343.471 2.999 40 0 EFABHN Cn1cc(CN2CC[C@@]3(C)[C@@H]2CCC(=O)N3Cc2ccccc2)cn1 ZINC000257228919 240313629 /nfs/dbraw/zinc/31/36/29/240313629.db2.gz FVWRBIKOBXOFEB-ICSRJNTNSA-N 0 3 338.455 2.576 40 0 EFABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3cccs3)CCO2)n1 ZINC000257339030 240313744 /nfs/dbraw/zinc/31/37/44/240313744.db2.gz YZWZOPBGZVALLH-OAHLLOKOSA-N 0 3 331.441 2.731 40 0 EFABHN CCNC(=O)c1cccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000194002094 240395595 /nfs/dbraw/zinc/39/55/95/240395595.db2.gz SJDDENZCGHYWQP-KZNAEPCWSA-N 0 3 328.456 2.874 40 0 EFABHN S=C(NCCCN1CCc2ccccc2C1)Nc1cccnc1 ZINC000225744406 242014235 /nfs/dbraw/zinc/01/42/35/242014235.db2.gz BUCUVDHPPQBMFA-UHFFFAOYSA-N 0 3 326.469 2.816 40 0 EFABHN c1cc2n(c1)C[C@H](OCc1ccncc1)CN(CC1CCOCC1)C2 ZINC000253588431 244025378 /nfs/dbraw/zinc/02/53/78/244025378.db2.gz CFJWJQJWSMMIHH-HXUWFJFHSA-N 0 3 341.455 2.711 40 0 EFABHN c1cc2n(c1)C[C@H](Oc1ccccn1)CN(CC1CCOCC1)C2 ZINC000253588406 244026480 /nfs/dbraw/zinc/02/64/80/244026480.db2.gz BOHFYVDEUOGEHE-GOSISDBHSA-N 0 3 327.428 2.573 40 0 EFABHN C[C@@H](NC[C@H](c1ccccc1)N1CCOCC1)c1cncc(F)c1 ZINC000096476461 296132707 /nfs/dbraw/zinc/13/27/07/296132707.db2.gz DHOJUGKNSLRKBS-DNVCBOLYSA-N 0 3 329.419 2.945 40 0 EFABHN CC(C)Cc1nsc(NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000253630081 244041923 /nfs/dbraw/zinc/04/19/23/244041923.db2.gz AKTKPKTVSJGYAP-CABCVRRESA-N 0 3 338.521 2.916 40 0 EFABHN c1cncc(C[C@H]2CCCN(Cc3ccnc(N4CCCC4)n3)C2)c1 ZINC000257206179 244134382 /nfs/dbraw/zinc/13/43/82/244134382.db2.gz BCEVBWBNBOHBTE-GOSISDBHSA-N 0 3 337.471 2.927 40 0 EFABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2ccsc2)C1 ZINC000257207448 244139290 /nfs/dbraw/zinc/13/92/90/244139290.db2.gz BHUFSNZWQKDDBU-GOSISDBHSA-N 0 3 348.443 2.596 40 0 EFABHN CC(C)Cc1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C)n(C)n1 ZINC000257208044 244140770 /nfs/dbraw/zinc/14/07/70/244140770.db2.gz BKKWSGNUMCEJPA-HKUYNNGSSA-N 0 3 332.492 2.708 40 0 EFABHN Cc1ccc(N(C)[C@@H]2COC3(C2)CCN(Cc2c[nH]cn2)CC3)cc1 ZINC000257211539 244154593 /nfs/dbraw/zinc/15/45/93/244154593.db2.gz BZHMIQQIZZPUHV-IBGZPJMESA-N 0 3 340.471 2.978 40 0 EFABHN Cc1ccc(N(C)[C@@H]2COC3(C2)CCN(Cc2cnc[nH]2)CC3)cc1 ZINC000257211539 244154600 /nfs/dbraw/zinc/15/46/00/244154600.db2.gz BZHMIQQIZZPUHV-IBGZPJMESA-N 0 3 340.471 2.978 40 0 EFABHN Cn1cncc1CN1CCN(C)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257222648 244187111 /nfs/dbraw/zinc/18/71/11/244187111.db2.gz DUEHPGXCKLVJED-QGZVFWFLSA-N 0 3 349.482 2.575 40 0 EFABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2ccccc2)C1 ZINC000257227333 244204926 /nfs/dbraw/zinc/20/49/26/244204926.db2.gz FOUULAWTVNFINA-FQEVSTJZSA-N 0 3 342.414 2.535 40 0 EFABHN Cn1cc(CN2CCN(C)C[C@H](Cc3cccc4cccnc43)C2)cn1 ZINC000257231370 244213126 /nfs/dbraw/zinc/21/31/26/244213126.db2.gz GGKJSMKVUXBHRD-KRWDZBQOSA-N 0 3 349.482 2.575 40 0 EFABHN Cc1cc(N)cc([C@H]2CN(C(=O)Cc3ccc(Cl)cc3)CCO2)n1 ZINC000257240032 244243075 /nfs/dbraw/zinc/24/30/75/244243075.db2.gz HRTQFFRMAIEVTQ-QGZVFWFLSA-N 0 3 345.830 2.768 40 0 EFABHN Cc1ncsc1CN1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257249261 244266212 /nfs/dbraw/zinc/26/62/12/244266212.db2.gz JHMYVFMYCBMQQB-AWEZNQCLSA-N 0 3 340.456 2.807 40 0 EFABHN CN(C)C(=O)c1c[nH]nc1[C@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000257253600 244275245 /nfs/dbraw/zinc/27/52/45/244275245.db2.gz JZOAHHXGINYPSU-HNNXBMFYSA-N 0 3 337.427 2.582 40 0 EFABHN CNc1ncccc1CN1CCC[C@H](c2ccnc(N(C)C)c2)C1 ZINC000257258343 244291631 /nfs/dbraw/zinc/29/16/31/244291631.db2.gz KTKRUDUXTRMUGB-INIZCTEOSA-N 0 3 325.460 2.964 40 0 EFABHN CC(=O)NCc1cccc([C@@H]2CCCN2CCOc2ccccc2)n1 ZINC000257267087 244363820 /nfs/dbraw/zinc/36/38/20/244363820.db2.gz MFXUEMQWKIQILO-FQEVSTJZSA-N 0 3 339.439 2.934 40 0 EFABHN CC(=O)N1CC2(CCN(Cc3ccc(C)cc3)CC2)C[C@@H](O)C1(C)C ZINC000257264481 244355077 /nfs/dbraw/zinc/35/50/77/244355077.db2.gz LUNXAYSRMZTAIM-LJQANCHMSA-N 0 3 344.499 2.969 40 0 EFABHN CN(c1ccc(F)cc1)[C@H]1COC2(C1)CCN(Cc1c[nH]cn1)CC2 ZINC000257276650 244395624 /nfs/dbraw/zinc/39/56/24/244395624.db2.gz NUPFMFZQZLRABI-GOSISDBHSA-N 0 3 344.434 2.809 40 0 EFABHN CN(c1ccc(F)cc1)[C@H]1COC2(C1)CCN(Cc1cnc[nH]1)CC2 ZINC000257276650 244395630 /nfs/dbraw/zinc/39/56/30/244395630.db2.gz NUPFMFZQZLRABI-GOSISDBHSA-N 0 3 344.434 2.809 40 0 EFABHN COCCN1CCC[C@H](c2cncc(-c3cnn(C(C)C)c3)n2)C1 ZINC000257310986 244491123 /nfs/dbraw/zinc/49/11/23/244491123.db2.gz UHKWEJWPIVDZAV-HNNXBMFYSA-N 0 3 329.448 2.747 40 0 EFABHN CNc1ncccc1CN1CCC[C@@](C)(C(=O)NC2CCCC2)C1 ZINC000019746720 212061424 /nfs/dbraw/zinc/06/14/24/212061424.db2.gz BTPICVFFJRDOSP-LJQANCHMSA-N 0 3 330.476 2.784 40 0 EFABHN COCCN1CCC[C@H]1c1cc(CCOc2ccccc2F)[nH]n1 ZINC000019703666 212056256 /nfs/dbraw/zinc/05/62/56/212056256.db2.gz NNZNNXQXFKLBGP-KRWDZBQOSA-N 0 3 333.407 2.954 40 0 EFABHN CN(C)c1ccc2cc(C(=O)N(C)CCN3CCCCC3)[nH]c2c1 ZINC000019656446 212052858 /nfs/dbraw/zinc/05/28/58/212052858.db2.gz BHPXTASXYYIOJX-UHFFFAOYSA-N 0 3 328.460 2.792 40 0 EFABHN Cc1nn(C[C@@H](C)C(=O)NCCN2CCC(C)CC2)c(C)c1Cl ZINC000019578207 212047263 /nfs/dbraw/zinc/04/72/63/212047263.db2.gz JECUGYHXCDKRRI-CYBMUJFWSA-N 0 3 340.899 2.638 40 0 EFABHN CN1CCc2nc([C@H]3CCCN3C(=O)c3cccc(F)c3)ncc2C1 ZINC000019590555 212049584 /nfs/dbraw/zinc/04/95/84/212049584.db2.gz UWVKUNHVOFCSCZ-QGZVFWFLSA-N 0 3 340.402 2.581 40 0 EFABHN CN1CCc2nc([C@@H]3CCCN3C(=O)c3cccc(F)c3)ncc2C1 ZINC000019590554 212048598 /nfs/dbraw/zinc/04/85/98/212048598.db2.gz UWVKUNHVOFCSCZ-KRWDZBQOSA-N 0 3 340.402 2.581 40 0 EFABHN CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cccnc1 ZINC000019589270 212048739 /nfs/dbraw/zinc/04/87/39/212048739.db2.gz WOZCTRKRSNBNGK-GUDVDZBRSA-N 0 3 339.414 2.923 40 0 EFABHN C[C@H]1CCCN(CC(C)(C)NC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC000019496547 212032650 /nfs/dbraw/zinc/03/26/50/212032650.db2.gz KBXPRKJLVVURMI-NSHDSACASA-N 0 3 346.397 2.679 40 0 EFABHN COc1cccc(CN2CCc3nc(C(C)C)[nH]c(=O)c3CC2)c1F ZINC000019453773 212028575 /nfs/dbraw/zinc/02/85/75/212028575.db2.gz BCNDTTIPJKVNLP-UHFFFAOYSA-N 0 3 345.418 2.642 40 0 EFABHN C[C@@H](NC(=O)CCN1CCN(C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000019458548 212030344 /nfs/dbraw/zinc/03/03/44/212030344.db2.gz AZVBKEOYZLCXOU-CYBMUJFWSA-N 0 3 349.862 2.901 40 0 EFABHN O[C@@H]1C[C@H]2CN(Cc3ccccc3F)[C@@H](Cc3ccccc3)CN2C1 ZINC000019372794 212022883 /nfs/dbraw/zinc/02/28/83/212022883.db2.gz QHNZBXALGIFDPJ-SLFFLAALSA-N 0 3 340.442 2.688 40 0 EFABHN CN1CCc2nc([C@@H]3CCCN(C(=O)CC(C)(C)C)C3)ncc2C1 ZINC000019082631 212000357 /nfs/dbraw/zinc/00/03/57/212000357.db2.gz JZXZDQJTTFBPOR-CQSZACIVSA-N 0 3 330.476 2.607 40 0 EFABHN Cc1ccc(N2C(=O)C[C@@H](NCCc3ccc(F)cc3)C2=O)cc1 ZINC000019210606 212004291 /nfs/dbraw/zinc/00/42/91/212004291.db2.gz TXICQISKVQKXHM-QGZVFWFLSA-N 0 3 326.371 2.598 40 0 EFABHN Cc1cc(NC[C@H]2CCCN(C)[C@@H]2c2cccs2)n2ncnc2n1 ZINC000078338115 217042027 /nfs/dbraw/zinc/04/20/27/217042027.db2.gz QJLQQKPCMNBFNY-CJNGLKHVSA-N 0 3 342.472 2.989 40 0 EFABHN CCN1CCN(CCC(=O)N[C@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000078394357 217046535 /nfs/dbraw/zinc/04/65/35/217046535.db2.gz GDYMNHVGBNEXPA-QGZVFWFLSA-N 0 3 347.503 2.679 40 0 EFABHN CCN1CCCC[C@H]1C(=O)NCc1cccc(Cn2ccnc2C)c1 ZINC000078498589 217063395 /nfs/dbraw/zinc/06/33/95/217063395.db2.gz UZQHBTBGQCXYLF-IBGZPJMESA-N 0 3 340.471 2.730 40 0 EFABHN O=C1OCCN1CCCN1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000078776796 217120605 /nfs/dbraw/zinc/12/06/05/217120605.db2.gz SSGQEPDVALSQNZ-AWEZNQCLSA-N 0 3 328.416 2.585 40 0 EFABHN COc1cccc(C[C@@H](C)NC(=O)N(C)CC2CCN(C)CC2)c1 ZINC000079036599 217178377 /nfs/dbraw/zinc/17/83/77/217178377.db2.gz MVZDRKAKCRRUEI-OAHLLOKOSA-N 0 3 333.476 2.609 40 0 EFABHN OCC1(NCc2cc(Br)ccc2Cl)CCOCC1 ZINC000079035180 217178566 /nfs/dbraw/zinc/17/85/66/217178566.db2.gz RTJRYGLQUXKIQI-UHFFFAOYSA-N 0 3 334.641 2.734 40 0 EFABHN COc1cccc(C[C@H](C)NC(=O)N(C)CC2CCN(C)CC2)c1 ZINC000079036596 217178719 /nfs/dbraw/zinc/17/87/19/217178719.db2.gz MVZDRKAKCRRUEI-HNNXBMFYSA-N 0 3 333.476 2.609 40 0 EFABHN CC(C(=O)N[C@@H](CCc1ccccc1)c1ccccc1)S(C)(=O)=O ZINC000079039366 217179650 /nfs/dbraw/zinc/17/96/50/217179650.db2.gz VWAMUBYPNVZKGG-YJBOKZPZSA-N 0 3 345.464 2.910 40 0 EFABHN C[C@H](NC1(CNC(=O)c2ccco2)CCOCC1)c1ccccc1 ZINC000079096352 217192032 /nfs/dbraw/zinc/19/20/32/217192032.db2.gz GZUPJUKCSBOPRX-HNNXBMFYSA-N 0 3 328.412 2.909 40 0 EFABHN CN(C)CCn1cc(NC(=O)Cc2cc(Cl)ccc2Cl)cn1 ZINC000079330375 217210055 /nfs/dbraw/zinc/21/00/55/217210055.db2.gz QIYHYPGGRDHAFL-UHFFFAOYSA-N 0 3 341.242 2.933 40 0 EFABHN COc1ncccc1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000110619621 220048665 /nfs/dbraw/zinc/04/86/65/220048665.db2.gz VDYFGYFKLJHHTM-BBRMVZONSA-N 0 3 345.468 2.965 40 0 EFABHN COC(=O)[C@H]1C[C@@H](N2CCC(c3c[nH]c4ccccc43)CC2)[C@@H](O)C1 ZINC000110653699 220052094 /nfs/dbraw/zinc/05/20/94/220052094.db2.gz IZLZDGVKFWWMJM-KYNGSXCRSA-N 0 3 342.439 2.660 40 0 EFABHN O=C(OCc1ccccc1)N1CCCC[C@H]1CN(CCO)C1CC1 ZINC000079390924 217216995 /nfs/dbraw/zinc/21/69/95/217216995.db2.gz CLIGMJYADFFTGY-SFHVURJKSA-N 0 3 332.444 2.634 40 0 EFABHN c1csc(-c2nnn(C[C@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000012338002 211351421 /nfs/dbraw/zinc/35/14/21/211351421.db2.gz BQMIRYJBRRSEJZ-HNNXBMFYSA-N 0 3 340.456 2.709 40 0 EFABHN O[C@@H](CN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000012327748 211349076 /nfs/dbraw/zinc/34/90/76/211349076.db2.gz GFESFKXHXLJVNM-SFHVURJKSA-N 0 3 333.378 2.982 40 0 EFABHN Cc1cc(F)ccc1CN1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000091921200 218088717 /nfs/dbraw/zinc/08/87/17/218088717.db2.gz IVSOHUQBXZQAJS-HZPDHXFCSA-N 0 3 348.462 2.982 40 0 EFABHN Cc1ccc(CN2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000091920467 218089660 /nfs/dbraw/zinc/08/96/60/218089660.db2.gz QSXGVNLGSYSZOR-ZIAGYGMSSA-N 0 3 336.501 2.904 40 0 EFABHN CCc1ocnc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000095418574 218358806 /nfs/dbraw/zinc/35/88/06/218358806.db2.gz UXVKHGAPTYMIDM-UHFFFAOYSA-N 0 3 343.427 2.694 40 0 EFABHN COc1cc(CNC(=O)[C@H]2CCCCN2)ccc1OC1CCCC1 ZINC000095426451 218368797 /nfs/dbraw/zinc/36/87/97/218368797.db2.gz OVHPJUFWOLHVKP-MRXNPFEDSA-N 0 3 332.444 2.775 40 0 EFABHN Cc1ccc(CN2CCC3(CC[C@H](C(=O)N4CCCC4)O3)CC2)o1 ZINC000096061232 218554298 /nfs/dbraw/zinc/55/42/98/218554298.db2.gz KJSYLKRABYJKRW-QGZVFWFLSA-N 0 3 332.444 2.724 40 0 EFABHN Cn1cccc1CN1CCC2(CCC(=O)N2Cc2cccnc2)CC1 ZINC000096228151 218704182 /nfs/dbraw/zinc/70/41/82/218704182.db2.gz QQDNNOXTZSVHDI-UHFFFAOYSA-N 0 3 338.455 2.577 40 0 EFABHN Brc1cccc(-c2ccc3nnc([C@@H]4CCCN4)n3n2)c1 ZINC000217557005 532966506 /nfs/dbraw/zinc/96/65/06/532966506.db2.gz TXRMRRSILVNFBG-ZDUSSCGKSA-N 0 3 344.216 2.978 40 0 EFABHN O=C(NC1CCN(C2CC2)CC1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000096466987 218846159 /nfs/dbraw/zinc/84/61/59/218846159.db2.gz WXWLQJZDLYVMSR-IAGOWNOFSA-N 0 3 347.459 2.504 40 0 EFABHN C[C@@H](NC[C@H](O)COC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000005073475 210385610 /nfs/dbraw/zinc/38/56/10/210385610.db2.gz FCYDSJVNZCQEOT-BPQIPLTHSA-N 0 3 343.423 2.555 40 0 EFABHN Cc1cccc(C)c1OC1CCN(CCCN2CCN(C)CC2)CC1 ZINC000097235653 219001982 /nfs/dbraw/zinc/00/19/82/219001982.db2.gz SMSNNJLHIMOBEP-UHFFFAOYSA-N 0 3 345.531 2.784 40 0 EFABHN COc1cccc(C(=O)N2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000004777367 210276756 /nfs/dbraw/zinc/27/67/56/210276756.db2.gz HVAVOXHNZSHXEB-SOLBZPMBSA-N 0 3 326.440 2.665 40 0 EFABHN C[C@@H]1CCCN(CCNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 ZINC000055377811 296390614 /nfs/dbraw/zinc/39/06/14/296390614.db2.gz HEFAQUJGOKMAPG-CQSZACIVSA-N 0 3 332.492 2.977 40 0 EFABHN CC(C)Oc1cccc([C@@H](C)NC(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000117032529 221025871 /nfs/dbraw/zinc/02/58/71/221025871.db2.gz LREZYYSOHHRBNE-QAPCUYQASA-N 0 3 349.475 2.507 40 0 EFABHN CSc1ccccc1CN(C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000280388567 257986912 /nfs/dbraw/zinc/98/69/12/257986912.db2.gz KGJIQXYJRVQNFF-AWEZNQCLSA-N 0 3 342.530 2.512 40 0 EFABHN CN(C[C@H]1CCOC1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000096486766 544558674 /nfs/dbraw/zinc/55/86/74/544558674.db2.gz QOTLJDDOOGQCBJ-IAQYHMDHSA-N 0 3 326.799 2.553 40 0 EFABHN CCN1CCN([C@H]2CCN(Cc3ccc(OC)c(Cl)c3)C2)CC1 ZINC000096486747 544558761 /nfs/dbraw/zinc/55/87/61/544558761.db2.gz JVLRWBBZYJUSJT-INIZCTEOSA-N 0 3 337.895 2.560 40 0 EFABHN C[C@@H](CC(N)=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000090943728 274207750 /nfs/dbraw/zinc/20/77/50/274207750.db2.gz PEICCPQBNBMYQE-ZETCQYMHSA-N 0 3 339.155 2.821 40 0 EFABHN COc1cccc([C@@H]2Cn3ccnc3CN2C2CCN(C)CC2)c1 ZINC000257216169 278020860 /nfs/dbraw/zinc/02/08/60/278020860.db2.gz CTKVDDZGZODDQL-SFHVURJKSA-N 0 3 326.444 2.543 40 0 EFABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H]1CN(C(=O)OC(C)(C)C)C(C)C ZINC000079410245 280272225 /nfs/dbraw/zinc/27/22/25/280272225.db2.gz GYIPKTDGVLFJQF-CABCVRRESA-N 0 3 341.496 2.606 40 0 EFABHN Cc1cnn(CCN[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1 ZINC000190966836 281694141 /nfs/dbraw/zinc/69/41/41/281694141.db2.gz FSVDXHOSFJRKBC-KRWDZBQOSA-N 0 3 326.444 2.512 40 0 EFABHN COc1ccccc1[C@H](C)CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000096491633 295397933 /nfs/dbraw/zinc/39/79/33/295397933.db2.gz GFQUEAKWQYVZPD-UNEWFSDZSA-N 0 3 325.474 2.744 40 0 EFABHN CCS(=O)(=O)C[C@H](C)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000097230709 323213766 /nfs/dbraw/zinc/21/37/66/323213766.db2.gz HCARPXJLPRLOCA-KBPBESRZSA-N 0 3 344.908 2.722 40 0 EFABHN Cc1cc(CNC(=O)Nc2ccn(CCN(C)C)n2)ccc1Cl ZINC000097374994 323214868 /nfs/dbraw/zinc/21/48/68/323214868.db2.gz ZDLXIJWAWVLOMS-UHFFFAOYSA-N 0 3 335.839 2.728 40 0 EFABHN CN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CCOC1 ZINC000106943605 323215232 /nfs/dbraw/zinc/21/52/32/323215232.db2.gz LTVWDWIWSQUQQI-QGZVFWFLSA-N 0 3 349.500 2.531 40 0 EFABHN CC(=O)N1CC[C@@H](CN(C)Cc2cn(C)nc2C2CCCCC2)C1 ZINC000183130072 323317876 /nfs/dbraw/zinc/31/78/76/323317876.db2.gz DMWKKGRLSRMNDF-INIZCTEOSA-N 0 3 332.492 2.768 40 0 EFABHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC2c3ccccc3-c3ccccc32)O1 ZINC000183925289 323351460 /nfs/dbraw/zinc/35/14/60/323351460.db2.gz KNURNTONXDISPG-LIRRHRJNSA-N 0 3 336.435 2.982 40 0 EFABHN C[C@@H](CN[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(Cl)c1 ZINC000187975242 323429299 /nfs/dbraw/zinc/42/92/99/323429299.db2.gz ICYOFGPLAUHLOG-BLLLJJGKSA-N 0 3 332.835 2.572 40 0 EFABHN COc1cc(-c2nc([C@@H](N)c3ccccc3)n[nH]2)cc(OC)c1OC ZINC000095533391 473221595 /nfs/dbraw/zinc/22/15/95/473221595.db2.gz KBEIOKHNIWQAPA-HNNXBMFYSA-N 0 3 340.383 2.546 40 0 EFABHN COc1cccc(NCc2n[nH]c([C@H](N)c3ccc(F)cc3)n2)c1 ZINC000095533286 473221961 /nfs/dbraw/zinc/22/19/61/473221961.db2.gz OSIYINNMODCWSO-MRXNPFEDSA-N 0 3 327.363 2.613 40 0 EFABHN COC(=O)[C@@H]1C[C@@H](O)[C@H](N2CCC(c3c[nH]c4ccccc43)CC2)C1 ZINC000081647424 473238435 /nfs/dbraw/zinc/23/84/35/473238435.db2.gz IZLZDGVKFWWMJM-GDIGMMSISA-N 0 3 342.439 2.660 40 0 EFABHN CSc1nc(C(C)C)nc(C)c1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000081689303 473243007 /nfs/dbraw/zinc/24/30/07/473243007.db2.gz IYHGUNDDKUWQSA-AWEZNQCLSA-N 0 3 348.516 2.844 40 0 EFABHN CCc1ccc(CN2CC[C@@H]3OC[C@H](C(=O)NCC4CC4)C[C@@H]3C2)o1 ZINC000096042633 473264932 /nfs/dbraw/zinc/26/49/32/473264932.db2.gz IGWPBDPSXSBJDM-MDZRGWNJSA-N 0 3 346.471 2.595 40 0 EFABHN CN1C[C@H](COCC2CC2)[C@H]2CCN(Cc3ccco3)CC[C@H]2C1=O ZINC000096041109 473261131 /nfs/dbraw/zinc/26/11/31/473261131.db2.gz ALPOPJAZYHNAEU-BHIYHBOVSA-N 0 3 346.471 2.623 40 0 EFABHN O=C(c1cscn1)N1CCC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096046545 473267048 /nfs/dbraw/zinc/26/70/48/473267048.db2.gz CUXMGUKBPOXQHP-UHFFFAOYSA-N 0 3 342.468 2.666 40 0 EFABHN O=C(c1cccnc1)N1CCC[C@@]2(CCN(Cc3ccco3)C2)C1 ZINC000096047032 473268410 /nfs/dbraw/zinc/26/84/10/473268410.db2.gz UVRHSCORVZRIGU-IBGZPJMESA-N 0 3 325.412 2.803 40 0 EFABHN COc1ccc(CN2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)cc1 ZINC000096047800 473268518 /nfs/dbraw/zinc/26/85/18/473268518.db2.gz PLQNUBGIODNEME-QGZVFWFLSA-N 0 3 341.455 2.967 40 0 EFABHN CN(Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1ccncc1)CC2 ZINC000096048018 473268636 /nfs/dbraw/zinc/26/86/36/473268636.db2.gz PAXWXNVFJQXJLX-GOSISDBHSA-N 0 3 341.455 2.930 40 0 EFABHN CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096048017 473268978 /nfs/dbraw/zinc/26/89/78/473268978.db2.gz VCKGMFOMRGUKBV-SFHVURJKSA-N 0 3 341.455 2.930 40 0 EFABHN Cc1ccc(CN2CC[C@@]3(C[C@H](Nc4ncccc4F)CO3)C2)o1 ZINC000096047639 473269261 /nfs/dbraw/zinc/26/92/61/473269261.db2.gz CEUJYYKUQVHSDF-KBXCAEBGSA-N 0 3 331.391 2.968 40 0 EFABHN CN(Cc1ccncc1)[C@@H]1COC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096048073 473269291 /nfs/dbraw/zinc/26/92/91/473269291.db2.gz WKBBYZADYUYYTF-IBGZPJMESA-N 0 3 341.455 2.930 40 0 EFABHN CN(Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096048016 473270145 /nfs/dbraw/zinc/27/01/45/473270145.db2.gz VCKGMFOMRGUKBV-GOSISDBHSA-N 0 3 341.455 2.930 40 0 EFABHN c1csc(CN2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)c1 ZINC000096048330 473271181 /nfs/dbraw/zinc/27/11/81/473271181.db2.gz GYXAQIDRUQQLRO-YOEHRIQHSA-N 0 3 330.457 2.774 40 0 EFABHN c1coc(CN2CCC3(CC2)CN(Cc2nccs2)CCO3)c1 ZINC000096048972 473271256 /nfs/dbraw/zinc/27/12/56/473271256.db2.gz ZBBQBNDCPBGFPT-UHFFFAOYSA-N 0 3 333.457 2.603 40 0 EFABHN O=C1C[C@@]2(CCN(Cc3ccncc3)C2)CN1c1cccc(F)c1 ZINC000096050734 473274008 /nfs/dbraw/zinc/27/40/08/473274008.db2.gz MMFCQBTUOMEUQQ-LJQANCHMSA-N 0 3 325.387 2.850 40 0 EFABHN Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4cccs4)CCN3C2)n1 ZINC000096055068 473279795 /nfs/dbraw/zinc/27/97/95/473279795.db2.gz ALPOSNWRPHAPTP-ZWKOTPCHSA-N 0 3 343.496 2.927 40 0 EFABHN CN(Cc1ccco1)C[C@H]1OC[C@@H]2CCN(Cc3cccnc3)C[C@@H]21 ZINC000096056300 473281055 /nfs/dbraw/zinc/28/10/55/473281055.db2.gz FPRGQANBWFLTRS-YSIASYRMSA-N 0 3 341.455 2.644 40 0 EFABHN Cc1ccc(CN2CC[C@H]3O[C@@H](C(=O)NCC4CC4)CC[C@H]32)s1 ZINC000096057462 473281401 /nfs/dbraw/zinc/28/14/01/473281401.db2.gz HTVWKYYGTNAPSX-BRWVUGGUSA-N 0 3 334.485 2.705 40 0 EFABHN Fc1ccc(CN2CCO[C@H]3[C@H](OCCN4CCCC4)CC[C@@H]32)cc1 ZINC000096057931 473281898 /nfs/dbraw/zinc/28/18/98/473281898.db2.gz AEMRPYRVPWYWJS-XUVXKRRUSA-N 0 3 348.462 2.670 40 0 EFABHN O=C(NCC1CC1)[C@@H]1CCO[C@@H]2CCN(Cc3ccc(F)cc3)C[C@H]21 ZINC000096058259 473283355 /nfs/dbraw/zinc/28/33/55/473283355.db2.gz UUELLKFAYDCJKZ-CEXWTWQISA-N 0 3 346.446 2.579 40 0 EFABHN c1ccc(CN2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)nc1 ZINC000096058347 473284104 /nfs/dbraw/zinc/28/41/04/473284104.db2.gz VKHVFKBQLFCEQG-ACRUOGEOSA-N 0 3 335.451 2.684 40 0 EFABHN c1ccc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2cccnc2)cc1 ZINC000096061690 473285148 /nfs/dbraw/zinc/28/51/48/473285148.db2.gz WYGYMRPSMSYDKW-RTWAWAEBSA-N 0 3 337.467 2.599 40 0 EFABHN O=C1NC2(C[C@@H]1c1cccnc1)CCN(Cc1cccs1)CC2 ZINC000096061373 473285597 /nfs/dbraw/zinc/28/55/97/473285597.db2.gz OOWKTASHZCIMQO-MRXNPFEDSA-N 0 3 327.453 2.781 40 0 EFABHN O=C([C@@H]1CCC2(CCN(Cc3cccs3)CC2)O1)N1CCCC1 ZINC000096061223 473286182 /nfs/dbraw/zinc/28/61/82/473286182.db2.gz NZMHQILWNBBZFM-INIZCTEOSA-N 0 3 334.485 2.884 40 0 EFABHN C[C@@H]1N(CC2CC2)C(=O)COC12CCN(Cc1ccsc1)CC2 ZINC000096062243 473286216 /nfs/dbraw/zinc/28/62/16/473286216.db2.gz NXKACAMLEAFCGA-AWEZNQCLSA-N 0 3 334.485 2.740 40 0 EFABHN CN1C[C@@H](COCC2CC2)[C@H]2CCN(Cc3ccco3)CC[C@H]2C1=O ZINC000096066436 473288161 /nfs/dbraw/zinc/28/81/61/473288161.db2.gz ALPOPJAZYHNAEU-QXAKKESOSA-N 0 3 346.471 2.623 40 0 EFABHN c1csc(CN2CCC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)c1 ZINC000096073768 473288911 /nfs/dbraw/zinc/28/89/11/473288911.db2.gz NXQJJXWQEMDRAY-YOEHRIQHSA-N 0 3 330.457 2.774 40 0 EFABHN Cc1ccc(CN2CC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)s1 ZINC000096093131 473292940 /nfs/dbraw/zinc/29/29/40/473292940.db2.gz WGBMNJFLCDDFLK-WMLDXEAASA-N 0 3 348.447 2.831 40 0 EFABHN CC[C@H]1N(Cc2cc(OC)cc(OC)c2)CCC[C@]12CCC(=O)N2 ZINC000096100127 473296192 /nfs/dbraw/zinc/29/61/92/473296192.db2.gz NSUTYSMGCJYIJU-MJGOQNOKSA-N 0 3 332.444 2.727 40 0 EFABHN c1cncc(CN2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)c1 ZINC000096106716 473299069 /nfs/dbraw/zinc/29/90/69/473299069.db2.gz NAXCWEZNCSKOGL-SFHVURJKSA-N 0 3 325.412 2.679 40 0 EFABHN CO[C@H]1CCN(Cc2scnc2C)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096109499 473301436 /nfs/dbraw/zinc/30/14/36/473301436.db2.gz ZPFLPNWUCQCLHV-BBWFWOEESA-N 0 3 347.484 2.766 40 0 EFABHN Cc1ccc(CN2C[C@H]3CCC[C@@]3(COCC(=O)N3CCCC3)C2)o1 ZINC000096109215 473302686 /nfs/dbraw/zinc/30/26/86/473302686.db2.gz FNSWYEZTAIPNEE-XLIONFOSSA-N 0 3 346.471 2.829 40 0 EFABHN c1csc(CN2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)c1 ZINC000096108762 473302775 /nfs/dbraw/zinc/30/27/75/473302775.db2.gz GPAVKGDLLHPIGG-SJLPKXTDSA-N 0 3 337.485 2.640 40 0 EFABHN c1csc(CN2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)c1 ZINC000096108864 473302822 /nfs/dbraw/zinc/30/28/22/473302822.db2.gz BXYAFQHSNKXRIM-SJLPKXTDSA-N 0 3 330.453 2.808 40 0 EFABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccsc3)C2)o1 ZINC000096108465 473302933 /nfs/dbraw/zinc/30/29/33/473302933.db2.gz SVLIEXAEDUTHIR-QAPCUYQASA-N 0 3 346.452 2.528 40 0 EFABHN Fc1cccc(O[C@H]2C[C@H]3CN(Cc4cccnc4)CCN3C2)c1 ZINC000096110705 473303451 /nfs/dbraw/zinc/30/34/51/473303451.db2.gz JSBVORPPEWRCAE-HKUYNNGSSA-N 0 3 327.403 2.558 40 0 EFABHN O=C1CC[C@@H]2[C@@H](CCN2Cc2cccs2)N1Cc1cccnc1 ZINC000096110748 473303527 /nfs/dbraw/zinc/30/35/27/473303527.db2.gz AMEAAZDACQRYEQ-IAGOWNOFSA-N 0 3 327.453 2.909 40 0 EFABHN CCCNC(=O)c1ccc2ccc(N3CCN(CC4CC4)CC3)n2c1 ZINC000096155917 473316705 /nfs/dbraw/zinc/31/67/05/473316705.db2.gz ITWOOSUQTLZRFY-UHFFFAOYSA-N 0 3 340.471 2.611 40 0 EFABHN Cn1cccc1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000096158057 473318249 /nfs/dbraw/zinc/31/82/49/473318249.db2.gz DJRYUYPQBYEDDY-HXUWFJFHSA-N 0 3 338.455 2.548 40 0 EFABHN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2cccs2)n1 ZINC000096184190 473325936 /nfs/dbraw/zinc/32/59/36/473325936.db2.gz MATFEKDINOZCKM-DLBZAZTESA-N 0 3 327.453 2.827 40 0 EFABHN O=C1C[C@@H]2[C@H](CCN2Cc2cccc(F)c2)N1Cc1cccnc1 ZINC000096184012 473326677 /nfs/dbraw/zinc/32/66/77/473326677.db2.gz WMPCXKAVWRCBHI-ZWKOTPCHSA-N 0 3 325.387 2.596 40 0 EFABHN O=C(NC[C@H]1OC[C@@H]2CCN(Cc3cccs3)C[C@@H]21)c1ccco1 ZINC000096185471 473327420 /nfs/dbraw/zinc/32/74/20/473327420.db2.gz HTBINCONFNJJKG-JLJPHGGASA-N 0 3 346.452 2.608 40 0 EFABHN Cc1cccc(N2CC[C@@H]3[C@@H](CN(C)Cc4ccco4)OC[C@@H]3C2)n1 ZINC000096185356 473327764 /nfs/dbraw/zinc/32/77/64/473327764.db2.gz YLFNJASNOBLICE-YTQUADARSA-N 0 3 341.455 2.956 40 0 EFABHN O=c1ccc2c(n1Cc1cccnc1)CC[C@H](NCc1ccco1)C2 ZINC000096196584 473332026 /nfs/dbraw/zinc/33/20/26/473332026.db2.gz HVEPHBDGBZPWJY-KRWDZBQOSA-N 0 3 335.407 2.532 40 0 EFABHN COCCO[C@H]1CCN(Cc2ccsc2)[C@H]1Cc1cccnc1 ZINC000096200506 473336033 /nfs/dbraw/zinc/33/60/33/473336033.db2.gz MKUCCCUSERPHJN-ROUUACIJSA-N 0 3 332.469 2.992 40 0 EFABHN CN(C)[C@@H]1CCN(C(=O)c2ccccc2F)[C@H]1Cc1ccncc1 ZINC000096201002 473336782 /nfs/dbraw/zinc/33/67/82/473336782.db2.gz VCEMIXDCSHCXPZ-MSOLQXFVSA-N 0 3 327.403 2.608 40 0 EFABHN Cc1nc(CN2CCOC[C@]3(CCN(Cc4ccco4)C3)C2)cs1 ZINC000096202127 473337401 /nfs/dbraw/zinc/33/74/01/473337401.db2.gz PHFPNHORYZXDJC-SFHVURJKSA-N 0 3 347.484 2.769 40 0 EFABHN Cc1ccc(CN2CCC3(CC2)CN(CC2CC2)C(=O)CO3)s1 ZINC000096201388 473338179 /nfs/dbraw/zinc/33/81/79/473338179.db2.gz SHOPQBACFBHKKS-UHFFFAOYSA-N 0 3 334.485 2.660 40 0 EFABHN Cc1cc(CN2CCC3(CN(Cc4cccnc4)C3=O)CC2)oc1C ZINC000096202884 473338521 /nfs/dbraw/zinc/33/85/21/473338521.db2.gz NCOQOCRISGGVBS-UHFFFAOYSA-N 0 3 339.439 2.916 40 0 EFABHN O=C(C[C@H]1CNCCO1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000150733928 473343146 /nfs/dbraw/zinc/34/31/46/473343146.db2.gz YNIJSHOWINIBGF-PKOBYXMFSA-N 0 3 344.842 2.924 40 0 EFABHN Cc1cccc(CN2CCOC[C@]3(CCN(Cc4ccco4)C3)C2)n1 ZINC000096202133 473339180 /nfs/dbraw/zinc/33/91/80/473339180.db2.gz AZZVLKHUSNNHAE-FQEVSTJZSA-N 0 3 341.455 2.708 40 0 EFABHN c1cncc(CO[C@@H]2COC3(C2)CCN(Cc2ccncc2)CC3)c1 ZINC000096205855 473340326 /nfs/dbraw/zinc/34/03/26/473340326.db2.gz MILGTVIWQBMGBY-IBGZPJMESA-N 0 3 339.439 2.817 40 0 EFABHN Cc1cccc(CN2CCC[C@]3(CCN(Cc4nccn4C)C3)C2)n1 ZINC000096216118 473348171 /nfs/dbraw/zinc/34/81/71/473348171.db2.gz FYZAWXOLIJJBER-FQEVSTJZSA-N 0 3 339.487 2.612 40 0 EFABHN O=C(N[C@H]1COCCC12CCN(Cc1ccsc1)CC2)C1CC1 ZINC000096216949 473349589 /nfs/dbraw/zinc/34/95/89/473349589.db2.gz XPYBHFNEIYOMDJ-INIZCTEOSA-N 0 3 334.485 2.645 40 0 EFABHN Cc1ccc(CN2C[C@@H]3C[C@H](CC(=O)N4CCCC4)O[C@@H]3C2)s1 ZINC000096217615 473349875 /nfs/dbraw/zinc/34/98/75/473349875.db2.gz XAOUHCKTJDFTAA-ZMSDIMECSA-N 0 3 334.485 2.658 40 0 EFABHN Cc1ccc(CN2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@H]3C2)o1 ZINC000096218411 473352637 /nfs/dbraw/zinc/35/26/37/473352637.db2.gz UMZSEYLAVKGXKF-BHIYHBOVSA-N 0 3 346.471 2.828 40 0 EFABHN CN(Cc1ccccn1)[C@@H]1CO[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096219880 473353166 /nfs/dbraw/zinc/35/31/66/473353166.db2.gz SZDRMCRURFKQDV-PKOBYXMFSA-N 0 3 327.428 2.540 40 0 EFABHN O=C(N[C@H]1COC2(C1)CCN(Cc1ccoc1)CC2)c1cccs1 ZINC000096221221 473353942 /nfs/dbraw/zinc/35/39/42/473353942.db2.gz CBLFOYXZBJTPRU-OAHLLOKOSA-N 0 3 346.452 2.895 40 0 EFABHN Cn1cc(N2CC[C@@]3(CCCN(Cc4ccc(F)cc4)C3)C2=O)cn1 ZINC000096224657 473355124 /nfs/dbraw/zinc/35/51/24/473355124.db2.gz WBLNBUBCYPNKBT-LJQANCHMSA-N 0 3 342.418 2.578 40 0 EFABHN Fc1cnc(N[C@@H]2CO[C@@]3(C2)CCCN(Cc2ccccc2)C3)nc1 ZINC000096223258 473355940 /nfs/dbraw/zinc/35/59/40/473355940.db2.gz XJWCKTVSHCYCHU-PKOBYXMFSA-N 0 3 342.418 2.851 40 0 EFABHN Cc1cccc(CN2CC[C@]3(CCCN(Cc4ccoc4)C3)C2=O)n1 ZINC000096224710 473356069 /nfs/dbraw/zinc/35/60/69/473356069.db2.gz ZRTJYJBEGGWYJS-FQEVSTJZSA-N 0 3 339.439 2.998 40 0 EFABHN Cc1cccc(CN2CC[C@@]3(CCCN(Cc4ccoc4)C3)C2=O)n1 ZINC000096224711 473356302 /nfs/dbraw/zinc/35/63/02/473356302.db2.gz ZRTJYJBEGGWYJS-HXUWFJFHSA-N 0 3 339.439 2.998 40 0 EFABHN O=C(NCc1ccco1)C1=NO[C@@]2(CCN(CC3CCCCC3)C2)C1 ZINC000096225881 473356821 /nfs/dbraw/zinc/35/68/21/473356821.db2.gz YYEMJPZYRCQFFJ-IBGZPJMESA-N 0 3 345.443 2.697 40 0 EFABHN Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(Cc2ccccc2)C1 ZINC000096244395 473362895 /nfs/dbraw/zinc/36/28/95/473362895.db2.gz UVVWBBUNEFBCRW-FQEVSTJZSA-N 0 3 338.455 2.525 40 0 EFABHN Cn1cccc1CN1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC000096228209 473359253 /nfs/dbraw/zinc/35/92/53/473359253.db2.gz WEBXVJZPLAFWDH-UHFFFAOYSA-N 0 3 338.455 2.577 40 0 EFABHN O=C1NCCN(Cc2ccccc2)C12CCN(Cc1ccccc1)CC2 ZINC000096230218 473359600 /nfs/dbraw/zinc/35/96/00/473359600.db2.gz IKRUHVBFLQIFKL-UHFFFAOYSA-N 0 3 349.478 2.653 40 0 EFABHN c1cncc(N2CCOC[C@@]3(CCCN(Cc4ccncc4)C3)C2)c1 ZINC000096229023 473359918 /nfs/dbraw/zinc/35/99/18/473359918.db2.gz HZZUWOUHZWEJTO-HXUWFJFHSA-N 0 3 338.455 2.596 40 0 EFABHN Cc1cnc(N2CCC3(C[C@H]3CN(C)Cc3cccnc3)CC2)nc1 ZINC000096238323 473360773 /nfs/dbraw/zinc/36/07/73/473360773.db2.gz VHMYXSDQSHHQEU-SFHVURJKSA-N 0 3 337.471 2.919 40 0 EFABHN Cc1cnc(N2CCC3(C[C@@H]3CN(C)Cc3cccnc3)CC2)nc1 ZINC000096238322 473360801 /nfs/dbraw/zinc/36/08/01/473360801.db2.gz VHMYXSDQSHHQEU-GOSISDBHSA-N 0 3 337.471 2.919 40 0 EFABHN CCN1CCc2cc(C(=O)N3CCCC3)c(NC(C)C)nc2CC1 ZINC000096260478 473367544 /nfs/dbraw/zinc/36/75/44/473367544.db2.gz LWWZRYXALPVTBF-UHFFFAOYSA-N 0 3 330.476 2.558 40 0 EFABHN O=C(c1ccco1)N1CCO[C@@H]2CN(Cc3cccs3)CC[C@@H]2C1 ZINC000096249873 473363872 /nfs/dbraw/zinc/36/38/72/473363872.db2.gz KBGVTTFKLDOBHK-RHSMWYFYSA-N 0 3 346.452 2.704 40 0 EFABHN COC1=C[C@]2(C)Oc3c4c(ccc3OC)C[C@@H]3C(=C1)[C@@]42CCN3C ZINC000096316410 473375342 /nfs/dbraw/zinc/37/53/42/473375342.db2.gz OCGWLMGQNPQBHG-XPGWFJOJSA-N 0 3 325.408 2.815 40 0 biogenic,in-vitro EFABHN O=C(NC1CCN(CCSc2ccccc2)CC1)C1CCOCC1 ZINC000096410328 473389114 /nfs/dbraw/zinc/38/91/14/473389114.db2.gz IUFJPBDUIQBJLC-UHFFFAOYSA-N 0 3 348.512 2.786 40 0 EFABHN O=C(Nc1ncccn1)C1CCN(CCSc2ccccc2)CC1 ZINC000096410313 473389369 /nfs/dbraw/zinc/38/93/69/473389369.db2.gz YOGSRSOCKYAPHF-UHFFFAOYSA-N 0 3 342.468 2.919 40 0 EFABHN Cc1c(C(=O)NCCN(C)C)sc2nc(-c3ccccc3)cn12 ZINC000000251335 471340367 /nfs/dbraw/zinc/34/03/67/471340367.db2.gz VYRFPEBSKWVHLH-UHFFFAOYSA-N 0 3 328.441 2.663 40 0 EFABHN O[C@H](COc1c(F)cc(Br)cc1F)CN1CCCC1 ZINC000005165715 471489179 /nfs/dbraw/zinc/48/91/79/471489179.db2.gz RXJUEEPERKGZLZ-JTQLQIEISA-N 0 3 336.176 2.563 40 0 EFABHN COc1ccc(N2C(=O)C[C@@H](N3CCC[C@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000004873270 471478363 /nfs/dbraw/zinc/47/83/63/471478363.db2.gz WWHFQRGCCRXFNB-FHLIZLRMSA-N 0 3 342.439 2.982 40 0 EFABHN Cc1ccc(NC(=O)CNCCCN2CCCCCC2=O)cc1C ZINC000006541909 471549874 /nfs/dbraw/zinc/54/98/74/471549874.db2.gz KYZYFZGAKNHWKW-UHFFFAOYSA-N 0 3 331.460 2.624 40 0 EFABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000006953189 471580643 /nfs/dbraw/zinc/58/06/43/471580643.db2.gz GTGLRJXSTVNYAM-JTQLQIEISA-N 0 3 344.242 2.532 40 0 EFABHN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCCCCC1 ZINC000007222098 471599274 /nfs/dbraw/zinc/59/92/74/471599274.db2.gz NKOYSXFXXHQOBQ-MRXNPFEDSA-N 0 3 331.460 2.726 40 0 EFABHN CCOc1c(Br)cc(CN[C@H](CC)CO)cc1OC ZINC000008327007 471681615 /nfs/dbraw/zinc/68/16/15/471681615.db2.gz YWUIEYOVCLUJPV-LLVKDONJSA-N 0 3 332.238 2.717 40 0 EFABHN O=C(NCc1ccncc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063581 471709676 /nfs/dbraw/zinc/70/96/76/471709676.db2.gz VMXMMNCOFJJFMO-UHFFFAOYSA-N 0 3 327.403 2.749 40 0 EFABHN Cc1ccccc1CS(=O)(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 ZINC000010544102 471738196 /nfs/dbraw/zinc/73/81/96/471738196.db2.gz DBYGZYSSUAEMKE-HZPDHXFCSA-N 0 3 338.517 2.782 40 0 EFABHN CN1CCC(OC(=O)c2ccc(I)cc2)CC1 ZINC000013606129 471834711 /nfs/dbraw/zinc/83/47/11/471834711.db2.gz KRVXRNGJVZIXHS-UHFFFAOYSA-N 0 3 345.180 2.542 40 0 EFABHN CN(Cc1ccccc1N1CCOCC1)C[C@H](O)c1ccccc1 ZINC000016425296 471936632 /nfs/dbraw/zinc/93/66/32/471936632.db2.gz LWHZDYUDTGXGAV-FQEVSTJZSA-N 0 3 326.440 2.689 40 0 EFABHN Cc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccccc4)C3=O)c2c1 ZINC000017072256 471956600 /nfs/dbraw/zinc/95/66/00/471956600.db2.gz GNVDQIRPMRGVLH-LJQANCHMSA-N 0 3 347.418 2.941 40 0 EFABHN Cc1ccc([C@@H](O)CN2CCCN(c3ccccn3)CC2)c(C)c1 ZINC000019132440 471977356 /nfs/dbraw/zinc/97/73/56/471977356.db2.gz TUGMPZYHTMSJDK-IBGZPJMESA-N 0 3 325.456 2.944 40 0 EFABHN C[C@H](Cc1ccccn1)N(C)Cc1cnc(N2CCCCC2)nc1 ZINC000019456968 471979985 /nfs/dbraw/zinc/97/99/85/471979985.db2.gz JSTJPAHZTPPKFI-MRXNPFEDSA-N 0 3 325.460 2.925 40 0 EFABHN CNc1cc(CN(C)Cc2ccc(F)cc2)nc([C@H]2CCCN2)n1 ZINC000019759810 471984420 /nfs/dbraw/zinc/98/44/20/471984420.db2.gz DHYOPPITHNRYFZ-MRXNPFEDSA-N 0 3 329.423 2.714 40 0 EFABHN C/C=C1\CN2CC[C@]34c5cc(O)ccc5NC3=C(C(=O)OC)[C@H]1C[C@H]24 ZINC000033953238 471987473 /nfs/dbraw/zinc/98/74/73/471987473.db2.gz BVYFBTHLXBZJTR-DQRCLVLDSA-N 0 3 338.407 2.537 40 0 EFABHN COc1ccc(C[C@@H]2NCCc3cc4c(cc32)OCO4)cc1OC ZINC000039343186 472023229 /nfs/dbraw/zinc/02/32/29/472023229.db2.gz RFTWLSNMTPPRII-HNNXBMFYSA-N 0 3 327.380 2.862 40 0 EFABHN Cc1ccc(OC[C@@H](O)CN(C)Cc2ccc3c(c2)OCO3)cc1 ZINC000025368670 472093193 /nfs/dbraw/zinc/09/31/93/472093193.db2.gz SGSAEOMMBTURCY-INIZCTEOSA-N 0 3 329.396 2.595 40 0 EFABHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(C2CC2)on1 ZINC000025527788 472100806 /nfs/dbraw/zinc/10/08/06/472100806.db2.gz MUDAEPOBGDXNPN-UHFFFAOYSA-N 0 3 325.412 2.946 40 0 EFABHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CNCCNC(=O)C(C)C ZINC000026309519 472131306 /nfs/dbraw/zinc/13/13/06/472131306.db2.gz AWIILEQEMBZDSO-UHFFFAOYSA-N 0 3 342.487 2.718 40 0 EFABHN CN(C)C[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000027150677 472165098 /nfs/dbraw/zinc/16/50/98/472165098.db2.gz JDVPRRHKCAZINZ-KRWDZBQOSA-N 0 3 340.423 2.767 40 0 EFABHN O=C(Cc1ccc(F)cc1)N1CCCSC[C@@H]1CN1CCCC1 ZINC000085473170 472253283 /nfs/dbraw/zinc/25/32/83/472253283.db2.gz YMVYKWKGBIFIHU-KRWDZBQOSA-N 0 3 336.476 2.798 40 0 EFABHN O=C(c1ccccc1OC(F)F)N1CCN(c2ccncc2)CC1 ZINC000030881538 472352663 /nfs/dbraw/zinc/35/26/63/472352663.db2.gz AIMJYKVDKQRAHF-UHFFFAOYSA-N 0 3 333.338 2.645 40 0 EFABHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cc1cccnc1 ZINC000076480430 472353231 /nfs/dbraw/zinc/35/32/31/472353231.db2.gz GNLSMPCFSDFWLS-XLIONFOSSA-N 0 3 337.467 2.993 40 0 EFABHN Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H]2CCN(CC3CC3)C2)s1 ZINC000076981451 472437652 /nfs/dbraw/zinc/43/76/52/472437652.db2.gz OEZHILIETPXKMN-DOMZBBRYSA-N 0 3 336.505 2.947 40 0 EFABHN C[C@H](NC1CCN(C(=O)NC2CCCCC2)CC1)c1cnccn1 ZINC000089639612 472475132 /nfs/dbraw/zinc/47/51/32/472475132.db2.gz OVQPDIHAEGIWCW-AWEZNQCLSA-N 0 3 331.464 2.634 40 0 EFABHN Cn1cc(-c2cccc(CN[C@H]3CCCC[C@H]3S(C)(=O)=O)c2)cn1 ZINC000097230772 472483484 /nfs/dbraw/zinc/48/34/84/472483484.db2.gz QJTVFGUZJBRFLR-ZWKOTPCHSA-N 0 3 347.484 2.533 40 0 EFABHN Cn1cc(-c2cccc(CN[C@H]3CCCC[C@@H]3S(C)(=O)=O)c2)cn1 ZINC000097230769 472484363 /nfs/dbraw/zinc/48/43/63/472484363.db2.gz QJTVFGUZJBRFLR-ROUUACIJSA-N 0 3 347.484 2.533 40 0 EFABHN CCc1ccc([C@@H](CNC(=O)N2CCC(C)(CO)CC2)N(C)C)cc1 ZINC000097377569 472494421 /nfs/dbraw/zinc/49/44/21/472494421.db2.gz ANPUDCVECKKSOK-GOSISDBHSA-N 0 3 347.503 2.656 40 0 EFABHN Cn1cc(-c2cccc(CNC(=O)[C@H](C3CC3)N3CCCC3)c2)cn1 ZINC000097376508 472494651 /nfs/dbraw/zinc/49/46/51/472494651.db2.gz RFEOZXKLZLSJEH-IBGZPJMESA-N 0 3 338.455 2.578 40 0 EFABHN CN1CCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216388 472634392 /nfs/dbraw/zinc/63/43/92/472634392.db2.gz IJRFQNKSNXWOPR-MRXNPFEDSA-N 0 3 346.475 2.905 40 0 EFABHN CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216280 472635062 /nfs/dbraw/zinc/63/50/62/472635062.db2.gz NOBPQGFSWSQQOA-HNNXBMFYSA-N 0 3 332.448 2.563 40 0 EFABHN CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216311 472635167 /nfs/dbraw/zinc/63/51/67/472635167.db2.gz XNGGSATWZRAWNC-INIZCTEOSA-N 0 3 346.475 2.953 40 0 EFABHN CN(C)C[C@H]1CSCCCN1C(=O)c1ccc(Br)o1 ZINC000090608906 472642113 /nfs/dbraw/zinc/64/21/13/472642113.db2.gz ZWAFRWYGELTSPG-JTQLQIEISA-N 0 3 347.278 2.551 40 0 EFABHN c1cn(CCc2ccccc2)c(CNC2CCC3(CC2)OCCO3)n1 ZINC000156273191 472686634 /nfs/dbraw/zinc/68/66/34/472686634.db2.gz XLOAANXHIVKSHU-UHFFFAOYSA-N 0 3 341.455 2.901 40 0 EFABHN CC(=O)N1CCN(c2ccccc2CNCc2cccs2)CC1 ZINC000078394292 472710137 /nfs/dbraw/zinc/71/01/37/472710137.db2.gz WIPFTQIPFPAPFC-UHFFFAOYSA-N 0 3 329.469 2.706 40 0 EFABHN CN1CCC[C@H](CNS(=O)(=O)c2ccccc2-c2ccccc2)C1 ZINC000078572307 472735214 /nfs/dbraw/zinc/73/52/14/472735214.db2.gz PQAGBGPINKEMKJ-MRXNPFEDSA-N 0 3 344.480 2.974 40 0 EFABHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc(NC=O)cc2)CC1 ZINC000073638459 472844692 /nfs/dbraw/zinc/84/46/92/472844692.db2.gz CMVTUOXDYBBQEO-UHFFFAOYSA-N 0 3 341.411 2.585 40 0 EFABHN CC(C)[C@@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)N1CCCCC1 ZINC000048301469 472853043 /nfs/dbraw/zinc/85/30/43/472853043.db2.gz GAQJNQLSONIPGZ-GUYCJALGSA-N 0 3 345.443 2.855 40 0 EFABHN NC(=O)c1cccc2[nH]c([C@H]3CCN(Cc4ccccc4F)C3)nc21 ZINC000049171121 472934111 /nfs/dbraw/zinc/93/41/11/472934111.db2.gz HQMGTXCMTIYUBN-ZDUSSCGKSA-N 0 3 338.386 2.790 40 0 biogenic,in-vitro EFABHN Cc1ccc(CN2CC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000107226748 472934887 /nfs/dbraw/zinc/93/48/87/472934887.db2.gz WDNLJTAXRWXEAW-CRAIPNDOSA-N 0 3 344.484 2.716 40 0 EFABHN CN1CCC[C@@H](CNC(=O)N2CC[C@H](COCc3ccccc3)C2)C1 ZINC000074160594 472952111 /nfs/dbraw/zinc/95/21/11/472952111.db2.gz JLPJSNZCSGRQRN-OALUTQOASA-N 0 3 345.487 2.577 40 0 EFABHN Cc1ccc(CN2CCOC[C@@]3(C[C@@H](Cn4ccnc4)CO3)C2)s1 ZINC000107738957 472979540 /nfs/dbraw/zinc/97/95/40/472979540.db2.gz CWWDOTJNCULINI-FUHWJXTLSA-N 0 3 347.484 2.561 40 0 EFABHN COCCNC(=O)[C@@H]1CCC[C@]12CCN(Cc1ccccc1F)C2 ZINC000108528744 473035293 /nfs/dbraw/zinc/03/52/93/473035293.db2.gz HCMCOVBFOGMSKY-QFBILLFUSA-N 0 3 334.435 2.581 40 0 EFABHN O=C([C@H]1CCC[C@]12CCN(Cc1ccncc1)C2)N1CC(F)(F)C1 ZINC000108529791 473036067 /nfs/dbraw/zinc/03/60/67/473036067.db2.gz KPEKXFLAKMCUPB-NVXWUHKLSA-N 0 3 335.398 2.551 40 0 EFABHN O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@]12CCN(Cc1cccnc1)C2 ZINC000108529783 473036222 /nfs/dbraw/zinc/03/62/22/473036222.db2.gz MFUPHFMPOXFAMN-SJLPKXTDSA-N 0 3 349.425 2.988 40 0 EFABHN Cc1ccccc1O[C@H](C)CNC(=O)N(C)CC1CCN(C)CC1 ZINC000075307297 473163676 /nfs/dbraw/zinc/16/36/76/473163676.db2.gz AHVPPEBNBUOZBB-MRXNPFEDSA-N 0 3 333.476 2.746 40 0 EFABHN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)/C=C/c1cccnc1 ZINC000110597941 473164829 /nfs/dbraw/zinc/16/48/29/473164829.db2.gz QHPXNKXRGHIMAE-BOYOMHKPSA-N 0 3 336.439 2.517 40 0 EFABHN C[C@H]1C[C@@H](NCc2nnc3ccccn32)CN(Cc2ccccc2)C1 ZINC000136893057 473183449 /nfs/dbraw/zinc/18/34/49/473183449.db2.gz AEEXITJTXLTQPL-FUHWJXTLSA-N 0 3 335.455 2.730 40 0 EFABHN O=C(N1CCCN(C2CCOCC2)CC1)C1(c2ccccc2)CCC1 ZINC000096414578 473393864 /nfs/dbraw/zinc/39/38/64/473393864.db2.gz AUTLOPKAMQYCCI-UHFFFAOYSA-N 0 3 342.483 2.822 40 0 EFABHN Cc1cc(NC(=O)[C@@H]2CCCO2)cc(N2CCN(C(C)C)CC2)c1 ZINC000190795341 473395168 /nfs/dbraw/zinc/39/51/68/473395168.db2.gz DQKAHXKZNJWZSF-SFHVURJKSA-N 0 3 331.460 2.643 40 0 EFABHN Cc1ccc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)c(Cl)c1 ZINC000096418701 473397940 /nfs/dbraw/zinc/39/79/40/473397940.db2.gz XPIOZIGQBVOOHE-CQSZACIVSA-N 0 3 338.883 2.653 40 0 EFABHN C[C@H]1CCN(C(=O)CC2CCOCC2)CCN1Cc1ccccc1 ZINC000096433127 473411808 /nfs/dbraw/zinc/41/18/08/473411808.db2.gz RNBTYKOFADXXDY-KRWDZBQOSA-N 0 3 330.472 2.926 40 0 EFABHN Cc1cccnc1[C@@H](NC(=O)Nc1ccn(CCN(C)C)n1)C(C)C ZINC000096435351 473415252 /nfs/dbraw/zinc/41/52/52/473415252.db2.gz BEOZFCIRADKPKU-INIZCTEOSA-N 0 3 344.463 2.667 40 0 EFABHN Cc1ccc(N2CCC(NC(=O)[C@H]3CCCCN3C(C)C)CC2)nc1 ZINC000096437426 473416613 /nfs/dbraw/zinc/41/66/13/473416613.db2.gz RZNQCIMIGGOBHV-GOSISDBHSA-N 0 3 344.503 2.738 40 0 EFABHN Cc1cnc(CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)s1 ZINC000096440066 473418565 /nfs/dbraw/zinc/41/85/65/473418565.db2.gz RRMWKBGDEOUPBP-CYBMUJFWSA-N 0 3 332.473 2.771 40 0 EFABHN OC1(c2nc(-c3cccc(CN4CCCCC4)c3)no2)CCOCC1 ZINC000125498397 473419565 /nfs/dbraw/zinc/41/95/65/473419565.db2.gz XONUSCACGVESIF-UHFFFAOYSA-N 0 3 343.427 2.721 40 0 EFABHN CCN1CCN(CCC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000096445549 473423336 /nfs/dbraw/zinc/42/33/36/473423336.db2.gz FCALPMOWVWGKNR-JXFKEZNVSA-N 0 3 347.478 2.763 40 0 EFABHN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[C@]2(CCOC2)C1 ZINC000096461936 473434377 /nfs/dbraw/zinc/43/43/77/473434377.db2.gz DAXGSWATMUXOHS-KSSFIOAISA-N 0 3 336.863 2.972 40 0 EFABHN Cc1cnc(N2CCC[C@H](CN(C)Cc3cccnc3)C2)nc1C ZINC000096486640 473444580 /nfs/dbraw/zinc/44/45/80/473444580.db2.gz VZLQZIPBGNMELX-GOSISDBHSA-N 0 3 325.460 2.837 40 0 EFABHN Cc1ccc2[nH]c([C@H]3CCCN([C@@H]4CCN(C5CC5)C4=O)C3)nc2c1 ZINC000096490642 473446040 /nfs/dbraw/zinc/44/60/40/473446040.db2.gz JZVVMKUCLPCLNV-KBXCAEBGSA-N 0 3 338.455 2.814 40 0 EFABHN Cc1ccc2nc([C@H]3CCCN([C@@H]4CCN(C5CC5)C4=O)C3)[nH]c2c1 ZINC000096490642 473446048 /nfs/dbraw/zinc/44/60/48/473446048.db2.gz JZVVMKUCLPCLNV-KBXCAEBGSA-N 0 3 338.455 2.814 40 0 EFABHN CCc1nc(CCN[C@H]2CCCC[C@@H]2S(C)(=O)=O)sc1C ZINC000096491628 473447233 /nfs/dbraw/zinc/44/72/33/473447233.db2.gz WXRUSMMNUSJSMZ-KBPBESRZSA-N 0 3 330.519 2.502 40 0 EFABHN CS(=O)(=O)[C@H]1CCCC[C@H]1NCCc1cccc2cccnc21 ZINC000096491567 473448327 /nfs/dbraw/zinc/44/83/27/473448327.db2.gz PBJLHORNCRPZAF-SJORKVTESA-N 0 3 332.469 2.723 40 0 EFABHN COc1cc(-c2ccccc2)ccc1CNC1(CO)CCOCC1 ZINC000096500610 473453202 /nfs/dbraw/zinc/45/32/02/473453202.db2.gz AQGFSUXLGKIVFX-UHFFFAOYSA-N 0 3 327.424 2.993 40 0 EFABHN Cc1cccc2c1CCN2C(=O)c1ccnc(OCCN(C)C)c1 ZINC000096500624 473453482 /nfs/dbraw/zinc/45/34/82/473453482.db2.gz USYDGTCTZWQFJX-UHFFFAOYSA-N 0 3 325.412 2.533 40 0 EFABHN Cc1ccc(CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cn1 ZINC000096503123 473454905 /nfs/dbraw/zinc/45/49/05/473454905.db2.gz CIFBGRACDXOUCQ-KXBFYZLASA-N 0 3 338.455 2.710 40 0 EFABHN C[C@@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C[C@@H]1O ZINC000165706358 473513712 /nfs/dbraw/zinc/51/37/12/473513712.db2.gz OWHOHVDBHFCILX-AEFFLSMTSA-N 0 3 330.472 2.518 40 0 EFABHN C[C@@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C[C@H]1O ZINC000165706617 473514611 /nfs/dbraw/zinc/51/46/11/473514611.db2.gz OWHOHVDBHFCILX-SJLPKXTDSA-N 0 3 330.472 2.518 40 0 EFABHN C[C@@H]1CN(CCN2CCC[C@H](c3nc4c(s3)CCCC4)C2)CCO1 ZINC000192761959 473720000 /nfs/dbraw/zinc/72/00/00/473720000.db2.gz IUPQPMYXKPLPMG-CVEARBPZSA-N 0 3 349.544 2.922 40 0 EFABHN Cc1cc(N2CC[C@H](NC[C@H](C)c3cccc(Cl)c3)C2=O)n(C)n1 ZINC000188061059 473967710 /nfs/dbraw/zinc/96/77/10/473967710.db2.gz ODWZEEZHKXXFOL-LRDDRELGSA-N 0 3 346.862 2.881 40 0 EFABHN CCOc1ncccc1CN[C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000246847675 473982241 /nfs/dbraw/zinc/98/22/41/473982241.db2.gz CLFIDMRHBRIWGB-VQIMIIECSA-N 0 3 340.471 2.876 40 0 EFABHN Cc1cc(C)c(C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)o1 ZINC000188181880 474011818 /nfs/dbraw/zinc/01/18/18/474011818.db2.gz HZFSQLCAOODZBT-HXUWFJFHSA-N 0 3 342.439 2.605 40 0 EFABHN CN(Cc1cccnc1)C[C@H]1CCN(Cc2nc(C(C)(C)C)no2)C1 ZINC000195278338 474046125 /nfs/dbraw/zinc/04/61/25/474046125.db2.gz HFVBVICJXSMWSQ-MRXNPFEDSA-N 0 3 343.475 2.716 40 0 EFABHN O=C(C[C@H]1CNCCO1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000195531119 474090547 /nfs/dbraw/zinc/09/05/47/474090547.db2.gz KXGWHMCVQDKXPE-ZDUSSCGKSA-N 0 3 343.254 2.863 40 0 EFABHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C1=COCC1 ZINC000195547784 474092631 /nfs/dbraw/zinc/09/26/31/474092631.db2.gz IXPXCEWWDKYHOB-KRWDZBQOSA-N 0 3 330.428 2.509 40 0 EFABHN Cc1nc(CN[C@@H](C)CCN2C(=O)c3ccccc3C2=O)sc1C ZINC000195566398 474097070 /nfs/dbraw/zinc/09/70/70/474097070.db2.gz XWGVBCQWXRWYAR-NSHDSACASA-N 0 3 343.452 2.924 40 0 EFABHN O=C(NC[C@@H]1CC[C@@H](O)C1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000195578272 474100879 /nfs/dbraw/zinc/10/08/79/474100879.db2.gz GXVUJKOROBPEGR-CEXWTWQISA-N 0 3 345.487 2.501 40 0 EFABHN COc1ccc(N2N=C(N)C[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000222549716 474171227 /nfs/dbraw/zinc/17/12/27/474171227.db2.gz KFLSSOLREWDWQT-OAHLLOKOSA-N 0 3 327.384 2.936 40 0 EFABHN N[C@H](CC(=O)N1CCO[C@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000225476560 474216026 /nfs/dbraw/zinc/21/60/26/474216026.db2.gz XOUZHTTVFNLXDP-MSOLQXFVSA-N 0 3 328.387 2.816 40 0 EFABHN Cc1ccc2c(n1)N(C)[C@H](CO)CCN(Cc1ccccc1C)C2 ZINC000225494811 474217956 /nfs/dbraw/zinc/21/79/56/474217956.db2.gz BZETYTBBEJBBPT-IBGZPJMESA-N 0 3 325.456 2.901 40 0 biogenic,in-vitro EFABHN CC1=CCC[C@H](C)[C@H]1CN1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000225515007 474221384 /nfs/dbraw/zinc/22/13/84/474221384.db2.gz KRLFEBASHXAORQ-OTWHNJEPSA-N 0 3 333.520 2.607 40 0 EFABHN Cc1cc(S(=O)(=O)NCCCN2CCC(C)CC2)ccc1F ZINC000225604461 474228457 /nfs/dbraw/zinc/22/84/57/474228457.db2.gz CTNACERNHRNLTO-UHFFFAOYSA-N 0 3 328.453 2.534 40 0 EFABHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2nc(C(C)C)no2)C1 ZINC000225603234 474228600 /nfs/dbraw/zinc/22/86/00/474228600.db2.gz LRVLNAMKKHAXFQ-ZDUSSCGKSA-N 0 3 335.477 2.916 40 0 EFABHN CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CCN(Cc1ccoc1)CC2 ZINC000247957370 474231589 /nfs/dbraw/zinc/23/15/89/474231589.db2.gz TYJQHKFTQYSZBJ-IBGZPJMESA-N 0 3 346.471 2.767 40 0 EFABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2cccc(F)c2)CC1 ZINC000226258883 474240247 /nfs/dbraw/zinc/24/02/47/474240247.db2.gz BQGWISMCUZVHSJ-UHFFFAOYSA-N 0 3 342.418 2.802 40 0 EFABHN CN1CCc2nc([C@H]3CCCN(C(=O)C[C@@H]4C=CCC4)C3)ncc2C1 ZINC000248026236 474246988 /nfs/dbraw/zinc/24/69/88/474246988.db2.gz MCBWIDSBSFPQDH-CVEARBPZSA-N 0 3 340.471 2.527 40 0 EFABHN Cc1ccc(CN2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)o1 ZINC000248115845 474260599 /nfs/dbraw/zinc/26/05/99/474260599.db2.gz SGCDWWBDNBSCNK-QUCCMNQESA-N 0 3 341.455 2.706 40 0 EFABHN Cc1ccc(CN2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)o1 ZINC000248115843 474260697 /nfs/dbraw/zinc/26/06/97/474260697.db2.gz SGCDWWBDNBSCNK-ICSRJNTNSA-N 0 3 341.455 2.706 40 0 EFABHN COc1ccc(CN(C[C@H]2CCCO2)C[C@@H]2CCOC2)c(OC)c1 ZINC000248138223 474266068 /nfs/dbraw/zinc/26/60/68/474266068.db2.gz ODTFRTHVZFTDRK-MAUKXSAKSA-N 0 3 335.444 2.721 40 0 EFABHN C[C@@H]1OCC[C@@]1(C)NCC(=O)Nc1ccc(Br)cc1 ZINC000235437284 474270176 /nfs/dbraw/zinc/27/01/76/474270176.db2.gz AJAANCHXKKRTGO-IINYFYTJSA-N 0 3 327.222 2.545 40 0 EFABHN C[C@H]1OCC[C@@]1(C)NCC(=O)Nc1ccc(Br)cc1 ZINC000235594734 474270235 /nfs/dbraw/zinc/27/02/35/474270235.db2.gz AJAANCHXKKRTGO-QMTHXVAHSA-N 0 3 327.222 2.545 40 0 EFABHN C[C@H](C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)n1cccn1 ZINC000248165067 474274509 /nfs/dbraw/zinc/27/45/09/474274509.db2.gz ZKCXIAUNGKQOHT-IJEWVQPXSA-N 0 3 332.473 2.705 40 0 EFABHN C[C@H](C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1)n1cccn1 ZINC000248165066 474274694 /nfs/dbraw/zinc/27/46/94/474274694.db2.gz ZKCXIAUNGKQOHT-IIAWOOMASA-N 0 3 332.473 2.705 40 0 EFABHN C[C@@H]1CN(CCN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CCO1 ZINC000249268514 474548940 /nfs/dbraw/zinc/54/89/40/474548940.db2.gz IUPQPMYXKPLPMG-HZPDHXFCSA-N 0 3 349.544 2.922 40 0 EFABHN Cn1ccc(CNC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000240894825 474551471 /nfs/dbraw/zinc/55/14/71/474551471.db2.gz IQFDQTQVCUKZAR-CXAGYDPISA-N 0 3 336.842 2.995 40 0 EFABHN CCOC[C@]1(CN)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242548306 474560179 /nfs/dbraw/zinc/56/01/79/474560179.db2.gz LJBXAPWNYOTERF-IPMKNSEASA-N 0 3 345.464 2.608 40 0 EFABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000242548305 474560488 /nfs/dbraw/zinc/56/04/88/474560488.db2.gz LJBXAPWNYOTERF-GUDVDZBRSA-N 0 3 345.464 2.608 40 0 EFABHN CCS[C@@H]1CCCC[C@@H]1N[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000249527667 474587340 /nfs/dbraw/zinc/58/73/40/474587340.db2.gz ZBQUWXVVDYQYBW-HRCADAONSA-N 0 3 336.505 2.569 40 0 EFABHN O=C(C[C@H]1CNCCO1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000252499944 474681573 /nfs/dbraw/zinc/68/15/73/474681573.db2.gz SJQFFYYMHMIOBV-SFHVURJKSA-N 0 3 344.386 2.613 40 0 EFABHN O=C(Nc1ccc2c(c1)OCC(=O)N2)[C@@H]1CCCCN1C1CCCC1 ZINC000252505147 474683584 /nfs/dbraw/zinc/68/35/84/474683584.db2.gz VPSCAFLRRKQLIS-INIZCTEOSA-N 0 3 343.427 2.753 40 0 EFABHN COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000252514449 474690455 /nfs/dbraw/zinc/69/04/55/474690455.db2.gz CMCXQBLTVDMMBV-GUDVDZBRSA-N 0 3 345.464 2.526 40 0 EFABHN CCCc1nnc(NC(=O)[C@H]2CN(C)C[C@H]2c2ccccc2)s1 ZINC000252516725 474691224 /nfs/dbraw/zinc/69/12/24/474691224.db2.gz WCHLFBAYCSVPQD-KBPBESRZSA-N 0 3 330.457 2.775 40 0 EFABHN CN(CCC1OCCO1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000252586870 474699267 /nfs/dbraw/zinc/69/92/67/474699267.db2.gz UDUITLRQYCVITD-HIFRSBDPSA-N 0 3 332.227 2.646 40 0 EFABHN Cn1cc(CCC(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)cn1 ZINC000253419158 474747809 /nfs/dbraw/zinc/74/78/09/474747809.db2.gz KAURBZDLHIRLQL-YJBOKZPZSA-N 0 3 346.500 2.614 40 0 EFABHN Cc1nc2c(cccc2C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)o1 ZINC000253421130 474748640 /nfs/dbraw/zinc/74/86/40/474748640.db2.gz QTYRRXGJVWCGSA-DLBZAZTESA-N 0 3 335.407 2.964 40 0 EFABHN COCc1nsc(N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 ZINC000253425932 474751930 /nfs/dbraw/zinc/75/19/30/474751930.db2.gz JNYQKGWKBMQWIH-CVEARBPZSA-N 0 3 344.484 2.928 40 0 EFABHN c1cc2n(c1)C[C@@H](Oc1ccccn1)CN(CC1CCOCC1)C2 ZINC000253588407 474768880 /nfs/dbraw/zinc/76/88/80/474768880.db2.gz BOHFYVDEUOGEHE-SFHVURJKSA-N 0 3 327.428 2.573 40 0 EFABHN Cn1cc(CN2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)cn1 ZINC000306132752 474808708 /nfs/dbraw/zinc/80/87/08/474808708.db2.gz LQZGHNKFJDDYIA-ZWKOTPCHSA-N 0 3 333.439 2.588 40 0 EFABHN CO[C@@H]1CCCOC12CCN(C(=O)c1ccc(CN(C)C)cc1)CC2 ZINC000257199805 474924857 /nfs/dbraw/zinc/92/48/57/474924857.db2.gz AAWYIWYMHGHAOI-GOSISDBHSA-N 0 3 346.471 2.548 40 0 EFABHN Cc1c[nH]nc1[C@H]1CCCCN1C(=O)CCN(C)Cc1cccnc1 ZINC000257223160 474925934 /nfs/dbraw/zinc/92/59/34/474925934.db2.gz DWECFYZURXIPJM-QGZVFWFLSA-N 0 3 341.459 2.689 40 0 EFABHN O=c1[n-]c([C@@H]2CCCCN2)nc2c1C[N@H+](CC1CCCCC1)CC2 ZINC000257246799 474926447 /nfs/dbraw/zinc/92/64/47/474926447.db2.gz IVWJDOYNHOEVKX-KRWDZBQOSA-N 0 3 330.476 2.935 40 0 EFABHN O=c1[n-]c([C@@H]2CCCCN2)nc2c1C[N@@H+](CC1CCCCC1)CC2 ZINC000257246799 474926452 /nfs/dbraw/zinc/92/64/52/474926452.db2.gz IVWJDOYNHOEVKX-KRWDZBQOSA-N 0 3 330.476 2.935 40 0 EFABHN Cc1c[nH]c(-c2cc(C)nc([C@H]3CCCN3C3CCN(C)CC3)n2)n1 ZINC000257282645 474928976 /nfs/dbraw/zinc/92/89/76/474928976.db2.gz OUPZMXZHERBBSX-QGZVFWFLSA-N 0 3 340.475 2.715 40 0 EFABHN CNc1cc([C@@H]2CCCN2Cc2cccc(OCCO)c2)ccn1 ZINC000257286110 474932110 /nfs/dbraw/zinc/93/21/10/474932110.db2.gz PKHYXIFQHLXDQA-SFHVURJKSA-N 0 3 327.428 2.832 40 0 EFABHN c1ncc(CN2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)[nH]1 ZINC000257285559 474932208 /nfs/dbraw/zinc/93/22/08/474932208.db2.gz PHTCHXFJNXQILM-OALUTQOASA-N 0 3 327.428 2.750 40 0 EFABHN CN(Cc1cccc(CN2CCOCC2)c1)C[C@@H](O)c1ccccc1 ZINC000257293367 474936972 /nfs/dbraw/zinc/93/69/72/474936972.db2.gz QPEBSYCGLBCWIH-OAQYLSRUSA-N 0 3 340.467 2.684 40 0 EFABHN Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)COc3ccccc3)C2)n1 ZINC000257309262 474944469 /nfs/dbraw/zinc/94/44/69/474944469.db2.gz UAGJMUSDSOHPBG-MRXNPFEDSA-N 0 3 339.439 2.851 40 0 EFABHN CCNc1nc(C)c(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C)s1 ZINC000257306454 474945692 /nfs/dbraw/zinc/94/56/92/474945692.db2.gz SUINHFICSUZWSK-FLTUCWPJSA-N 0 3 348.516 2.971 40 0 EFABHN CC(C)c1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)c1 ZINC000257308135 474945973 /nfs/dbraw/zinc/94/59/73/474945973.db2.gz TVOFMMRRXHVCDU-ZHALLVOQSA-N 0 3 346.471 2.623 40 0 EFABHN CO[C@H]1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@@]12CCCO2 ZINC000257316556 474950170 /nfs/dbraw/zinc/95/01/70/474950170.db2.gz VGBVYHFFBBYEEK-HKUYNNGSSA-N 0 3 327.428 2.847 40 0 EFABHN CNc1cc(C)nc([C@H]2CN(C(=O)c3ccccc3F)CCO2)c1 ZINC000257325809 474955228 /nfs/dbraw/zinc/95/52/28/474955228.db2.gz WUNCRNMMYJRIAA-QGZVFWFLSA-N 0 3 329.375 2.785 40 0 EFABHN Cc1cncc([C@H]2CCCN(Cc3cccc(OCCO)c3)C2)n1 ZINC000257328646 474957791 /nfs/dbraw/zinc/95/77/91/474957791.db2.gz XGOMGUTUVYRJJG-KRWDZBQOSA-N 0 3 327.428 2.536 40 0 EFABHN CCOc1ncccc1C(=O)N1CC[C@@H](c2cc(NC)cc(C)n2)C1 ZINC000257335273 474960800 /nfs/dbraw/zinc/96/08/00/474960800.db2.gz YJKYDMPBUIMEIM-CQSZACIVSA-N 0 3 340.427 2.855 40 0 EFABHN Cc1cncc(CN2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)c1 ZINC000257338056 474963283 /nfs/dbraw/zinc/96/32/83/474963283.db2.gz YVPDIZXOEBMNEK-QGZVFWFLSA-N 0 3 334.427 2.745 40 0 EFABHN c1cc(CN2CCN(C3CCCCC3)CC2)nc([C@@H]2CCCOC2)n1 ZINC000257340357 474964062 /nfs/dbraw/zinc/96/40/62/474964062.db2.gz ZFQKAJIKJWDTGN-QGZVFWFLSA-N 0 3 344.503 2.821 40 0 EFABHN C[C@H](NC(=O)[C@H]1CCC(=O)c2cccn21)[C@H]1CCCN(C2CCC2)C1 ZINC000332920797 475782770 /nfs/dbraw/zinc/78/27/70/475782770.db2.gz JVJPDIGGWGPURO-RLFYNMQTSA-N 0 3 343.471 2.775 40 0 EFABHN C[C@@H]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c2c([O-])cccc21 ZINC000333254865 475883770 /nfs/dbraw/zinc/88/37/70/475883770.db2.gz HQGHQAZOOCOVDP-HIFRSBDPSA-N 0 3 340.427 2.667 40 0 EFABHN N[C@@H]1CN(C(=O)c2cc3c(s2)CCOC3)C[C@H]1c1ccccc1F ZINC000333313117 475901754 /nfs/dbraw/zinc/90/17/54/475901754.db2.gz SFNSQGBBTUDSCC-DZGCQCFKSA-N 0 3 346.427 2.527 40 0 EFABHN NCc1cc(NC(=O)[C@@H]2CCc3c[nH]nc3C2)cc(C(F)(F)F)c1 ZINC000390833312 476804739 /nfs/dbraw/zinc/80/47/39/476804739.db2.gz FYLVYPQBBXPLSV-SNVBAGLBSA-N 0 3 338.333 2.631 40 0 EFABHN O=C([C@H]1CCC[C@@]12CCN(Cc1cccnc1)C2)N1CC(F)(F)C1 ZINC000503788346 478846176 /nfs/dbraw/zinc/84/61/76/478846176.db2.gz LIOKTPLQXGBAPI-WBVHZDCISA-N 0 3 335.398 2.551 40 0 EFABHN CC[NH+](CC)CC[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2cncn21 ZINC000585096292 479280231 /nfs/dbraw/zinc/28/02/31/479280231.db2.gz GCMUSEHEKWKADS-INIZCTEOSA-N 0 3 342.443 2.518 40 0 EFABHN COCCN1CC[C@]12CCCN(C(=O)c1nccc3ccccc31)C2 ZINC000585102299 479283046 /nfs/dbraw/zinc/28/30/46/479283046.db2.gz WPFFNGGVHWMXEF-FQEVSTJZSA-N 0 3 339.439 2.562 40 0 EFABHN CN1CC[C@H](COCc2ccncc2)CC12CN(Cc1ccco1)C2 ZINC000585102764 479284023 /nfs/dbraw/zinc/28/40/23/479284023.db2.gz GVFHGMLCKBXKIA-SFHVURJKSA-N 0 3 341.455 2.788 40 0 EFABHN CN(Cc1cccnc1)C[C@H]1CCC2(CN(Cc3ccoc3)C2)OC1 ZINC000585103458 479284407 /nfs/dbraw/zinc/28/44/07/479284407.db2.gz BHVYMCAUAVFSBY-GOSISDBHSA-N 0 3 341.455 2.788 40 0 EFABHN CN(Cc1cccnc1)C[C@H]1CCC2(CN(Cc3ccco3)C2)OC1 ZINC000585104001 479285247 /nfs/dbraw/zinc/28/52/47/479285247.db2.gz FLWZAQWAUZUIFF-GOSISDBHSA-N 0 3 341.455 2.788 40 0 EFABHN Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@H](CN2CCC(C)C)C1 ZINC000585107918 479288055 /nfs/dbraw/zinc/28/80/55/479288055.db2.gz FOHHLIJOUQITCQ-SJORKVTESA-N 0 3 336.501 2.736 40 0 EFABHN CNC(=O)CC[C@@]1(OC)CCCN(Cc2ccnc3ccccc23)C1 ZINC000585278224 479307118 /nfs/dbraw/zinc/30/71/18/479307118.db2.gz NNZFGRYMMNCKQY-FQEVSTJZSA-N 0 3 341.455 2.742 40 0 EFABHN CO[C@H]1CN(C(=O)/C=C/CN(C)C)CC[C@@H]1Cc1ccccc1C ZINC000585289201 479309131 /nfs/dbraw/zinc/30/91/31/479309131.db2.gz FWTLTDKZGIPHKY-PDBZHATLSA-N 0 3 330.472 2.519 40 0 EFABHN CCCn1ccnc1CNC[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585287013 479309478 /nfs/dbraw/zinc/30/94/78/479309478.db2.gz QTDMSEBDGGUOGH-YVWKXTFCSA-N 0 3 343.471 2.991 40 0 EFABHN O=C(CCSc1ccccc1)NCC1CCN([C@@H]2CCOC2)CC1 ZINC000575605690 479450225 /nfs/dbraw/zinc/45/02/25/479450225.db2.gz GTPWTDOZYHRQRF-QGZVFWFLSA-N 0 3 348.512 2.786 40 0 EFABHN O=C(NCC1CCN([C@H]2CCOC2)CC1)c1ccc2ncsc2c1 ZINC000575606967 479450256 /nfs/dbraw/zinc/45/02/56/479450256.db2.gz NGENGXVYNGCLKO-HNNXBMFYSA-N 0 3 345.468 2.527 40 0 EFABHN Cn1nc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1C1CC1 ZINC000607780165 479853821 /nfs/dbraw/zinc/85/38/21/479853821.db2.gz IGBAOIYGJVGYHP-UHFFFAOYSA-N 0 3 342.443 2.627 40 0 EFABHN COCc1nc(C)c(C(=O)N2CCCN(C3CCCC3)CC2)s1 ZINC000097230052 500824959 /nfs/dbraw/zinc/82/49/59/500824959.db2.gz UQEONZOIMVLZLN-UHFFFAOYSA-N 0 3 337.489 2.688 40 0 EFABHN CCc1ccccc1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000195557807 535924542 /nfs/dbraw/zinc/92/45/42/535924542.db2.gz KMADVJFAYDUFBD-IBGZPJMESA-N 0 3 338.451 2.746 40 0 EFABHN CN(C)Cc1cccc(NC(=O)NC(C)(C)C(=O)NCC(C)(C)C)c1 ZINC000193715707 536038233 /nfs/dbraw/zinc/03/82/33/536038233.db2.gz OHISPYLLYWBFED-UHFFFAOYSA-N 0 3 348.491 2.811 40 0 EFABHN O=C1CC[C@@H]2CN(Cc3cnc4ccccc4n3)CC[C@H]2N1C1CC1 ZINC000585094319 546371176 /nfs/dbraw/zinc/37/11/76/546371176.db2.gz JIPFRGBLAHOYJW-AUUYWEPGSA-N 0 3 336.439 2.605 40 0 EFABHN C=Cn1cc(CN[C@H](C)[C@H](O)c2ccc(Br)cc2)cn1 ZINC000225583036 564023211 /nfs/dbraw/zinc/02/32/11/564023211.db2.gz OBHPLWKJRSLCDZ-ABAIWWIYSA-N 0 3 336.233 2.958 40 0 EFABHN C=Cn1cc(CN[C@H](C)[C@@H](O)c2ccc(Br)cc2)cn1 ZINC000225583077 564149795 /nfs/dbraw/zinc/14/97/95/564149795.db2.gz OBHPLWKJRSLCDZ-IAQYHMDHSA-N 0 3 336.233 2.958 40 0 EFABHN C[C@@H](NC[C@@H](C)c1ccccc1)C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000225583196 564149819 /nfs/dbraw/zinc/14/98/19/564149819.db2.gz STQGWJWPAJFOHU-HZPDHXFCSA-N 0 3 349.438 2.988 40 0 EFABHN Cc1ccsc1CN1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCC2)C1 ZINC000097953633 219064778 /nfs/dbraw/zinc/06/47/78/219064778.db2.gz DYYJXMWAGWRZEE-HRCADAONSA-N 0 3 334.485 2.516 40 0 EFABHN Cc1ccc(OCCNCC(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000049605830 214022522 /nfs/dbraw/zinc/02/25/22/214022522.db2.gz MGGBMINGCIQACU-GOSISDBHSA-N 0 3 340.423 2.603 40 0 EFABHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cncc(F)c1 ZINC000132472077 529954960 /nfs/dbraw/zinc/95/49/60/529954960.db2.gz FYDBFKMIIFDANU-INIZCTEOSA-N 0 3 327.403 2.815 40 0 EFABHN CN1CCC(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000174527267 530048123 /nfs/dbraw/zinc/04/81/23/530048123.db2.gz WZXNKASIZRFAMW-UHFFFAOYSA-N 0 3 329.444 2.593 40 0 EFABHN CC(C(=O)NC1CCC(C)CC1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000046115427 213784271 /nfs/dbraw/zinc/78/42/71/213784271.db2.gz JFOXLHHNJGHEIC-MFOWVQHXSA-N 0 3 341.448 2.824 40 0 EFABHN CN1CCC=C(COC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000003593391 210060971 /nfs/dbraw/zinc/06/09/71/210060971.db2.gz MHZWAVGKTGFFPJ-HXUWFJFHSA-N 0 3 329.440 2.870 40 0 EFABHN Cc1nnc(-c2ccc(NC(=O)N3CC[C@@H](N4CC=CC4)C3)cc2)o1 ZINC000102698215 219223111 /nfs/dbraw/zinc/22/31/11/219223111.db2.gz IJJLPEPAPKTQLU-MRXNPFEDSA-N 0 3 339.399 2.523 40 0 EFABHN CN(C)c1c(Cl)cccc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000102716830 219224555 /nfs/dbraw/zinc/22/45/55/219224555.db2.gz HILFQSIWGPBBNN-CYBMUJFWSA-N 0 3 334.851 2.884 40 0 EFABHN O=C(c1ccccc1Br)N1CCC(N2CC=CC2)CC1 ZINC000102726656 219225175 /nfs/dbraw/zinc/22/51/75/219225175.db2.gz OTUYJOVNQCRKBS-UHFFFAOYSA-N 0 3 335.245 2.926 40 0 EFABHN FC(F)(F)c1cccnc1N1CCC(CN2CCOCC2)CC1 ZINC000096453520 282927837 /nfs/dbraw/zinc/92/78/37/282927837.db2.gz XFDXIUPBQGGFCT-UHFFFAOYSA-N 0 3 329.366 2.649 40 0 EFABHN N=c1c2c(ncn1Cc1ccccc1)CCN(Cc1ccccc1)C2 ZINC000001558904 209759330 /nfs/dbraw/zinc/75/93/30/209759330.db2.gz DVJDHCWHJDSABJ-UHFFFAOYSA-N 0 3 330.435 2.969 40 0 EFABHN C[C@H](CN[C@@H](c1ccccc1)c1ccc(F)cn1)N1CCN(C)CC1 ZINC000183558226 235139192 /nfs/dbraw/zinc/13/91/92/235139192.db2.gz LTUVGCQXJXZCKZ-UZLBHIALSA-N 0 3 342.462 2.536 40 0 EFABHN CN1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccc3)ncc2C1 ZINC000019590304 283176710 /nfs/dbraw/zinc/17/67/10/283176710.db2.gz SBLITLHHYWGWSZ-SFHVURJKSA-N 0 3 336.439 2.832 40 0 EFABHN COc1ccc(CNC(=S)NC[C@H](C)N2CCCC[C@H]2C)cc1 ZINC000036847503 213122027 /nfs/dbraw/zinc/12/20/27/213122027.db2.gz YANUBGBGZZCCFQ-CABCVRRESA-N 0 3 335.517 2.922 40 0 EFABHN COc1ccc(CNC(=S)NC[C@H](C)N2CCCC[C@@H]2C)cc1 ZINC000036847504 213122109 /nfs/dbraw/zinc/12/21/09/213122109.db2.gz YANUBGBGZZCCFQ-GJZGRUSLSA-N 0 3 335.517 2.922 40 0 EFABHN CCN1CCC[C@H]1CNC(=O)c1cc(F)cc(Br)c1 ZINC000036393524 213096174 /nfs/dbraw/zinc/09/61/74/213096174.db2.gz VQNFDHWHYYBVAM-ZDUSSCGKSA-N 0 3 329.213 2.802 40 0 EFABHN COCCOc1ccc(-c2noc([C@@H]3CCCN3CC(C)C)n2)cn1 ZINC000035425420 213026994 /nfs/dbraw/zinc/02/69/94/213026994.db2.gz DOAGODDTIWSDMB-HNNXBMFYSA-N 0 3 346.431 2.950 40 0 biogenic,in-vitro EFABHN CCc1c(C)sc2nc(C(C)C)n3c(nn(CCN(C)C)c3=O)c12 ZINC000072335287 216156425 /nfs/dbraw/zinc/15/64/25/216156425.db2.gz SVILQQJBTVVJHQ-UHFFFAOYSA-N 0 3 347.488 2.662 40 0 EFABHN CN1CCC(N2CCOC[C@H]2c2nc(-c3ccc(F)cc3)c[nH]2)CC1 ZINC000072321974 216150017 /nfs/dbraw/zinc/15/00/17/216150017.db2.gz QNOOWDKLLJBBLG-SFHVURJKSA-N 0 3 344.434 2.683 40 0 biogenic,in-vitro EFABHN CC[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1 ZINC000072340190 216158367 /nfs/dbraw/zinc/15/83/67/216158367.db2.gz PNPDDXLMSPLHIB-SIXWZSSISA-N 0 3 331.412 2.570 40 0 EFABHN Cc1nccn1-c1nccnc1[C@H]1CCCN(Cc2ccccn2)C1 ZINC000072350565 216162068 /nfs/dbraw/zinc/16/20/68/216162068.db2.gz LSIKAEWBUTWBDU-INIZCTEOSA-N 0 3 334.427 2.745 40 0 EFABHN Cc1cc(CCC(=O)NCc2cccnc2)cc([C@H]2CCCN2C)n1 ZINC000072360551 216167702 /nfs/dbraw/zinc/16/77/02/216167702.db2.gz LHELXZVTUFHWTH-LJQANCHMSA-N 0 3 338.455 2.801 40 0 EFABHN CNCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccccc2C)C1 ZINC000072363295 216169983 /nfs/dbraw/zinc/16/99/83/216169983.db2.gz CQMVEEZXLVIEJG-OAHLLOKOSA-N 0 3 340.427 2.503 40 0 EFABHN CNCC(=O)N1CCC[C@@H](c2cncc(Oc3cccc(C)c3)n2)C1 ZINC000072363311 216170100 /nfs/dbraw/zinc/17/01/00/216170100.db2.gz CZGOFIYJFGIPGZ-OAHLLOKOSA-N 0 3 340.427 2.503 40 0 EFABHN CNCC(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2C)C1 ZINC000072363296 216170456 /nfs/dbraw/zinc/17/04/56/216170456.db2.gz CQMVEEZXLVIEJG-HNNXBMFYSA-N 0 3 340.427 2.503 40 0 EFABHN CNCC(=O)N1CCC(c2nccnc2Oc2ccc(C)cc2)CC1 ZINC000072363308 216170609 /nfs/dbraw/zinc/17/06/09/216170609.db2.gz JQLGBAHFQSICPY-UHFFFAOYSA-N 0 3 340.427 2.503 40 0 EFABHN COCCN1CCC(c2nccnc2Nc2nc(C)cs2)CC1 ZINC000072367902 216174904 /nfs/dbraw/zinc/17/49/04/216174904.db2.gz ONTXDGHDTIULQM-UHFFFAOYSA-N 0 3 333.461 2.811 40 0 EFABHN COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)cc1 ZINC000072372996 216177716 /nfs/dbraw/zinc/17/77/16/216177716.db2.gz HCFBITRWWRFUEI-LSDHHAIUSA-N 0 3 325.412 2.631 40 0 EFABHN COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)cc1 ZINC000072372996 216177717 /nfs/dbraw/zinc/17/77/17/216177717.db2.gz HCFBITRWWRFUEI-LSDHHAIUSA-N 0 3 325.412 2.631 40 0 EFABHN COCC(=O)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 ZINC000072393479 216193024 /nfs/dbraw/zinc/19/30/24/216193024.db2.gz KAXGXZGHSCFCKR-UHFFFAOYSA-N 0 3 348.462 2.865 40 0 EFABHN Cn1nc([C@@H]2CCCN(Cc3ccccc3F)C2)c2nccnc21 ZINC000072393842 216193324 /nfs/dbraw/zinc/19/33/24/216193324.db2.gz RFAAMJYMIPPYHU-CQSZACIVSA-N 0 3 325.391 2.882 40 0 EFABHN Cc1nnc(-c2cccc(C(=O)N3CCCN(C(C)C)CC3)c2)o1 ZINC000073334223 216379031 /nfs/dbraw/zinc/37/90/31/216379031.db2.gz NHNGWOHLPWXZNU-UHFFFAOYSA-N 0 3 328.416 2.601 40 0 EFABHN Cc1cc(NCc2ccnn2C)cc(N2CCN(C(C)C)CC2)c1 ZINC000191678530 239245549 /nfs/dbraw/zinc/24/55/49/239245549.db2.gz GJDJWHNHMLJPQO-UHFFFAOYSA-N 0 3 327.476 2.871 40 0 EFABHN COc1ccc([C@@H](CNC(=O)CCc2c(C)noc2C)N(C)C)cc1 ZINC000023228119 212361235 /nfs/dbraw/zinc/36/12/35/212361235.db2.gz KSHKBXKBVJMNDM-GOSISDBHSA-N 0 3 345.443 2.652 40 0 EFABHN O=C(Cc1ccc(F)cc1)NCC1CCN(Cc2ccco2)CC1 ZINC000023128014 212351620 /nfs/dbraw/zinc/35/16/20/212351620.db2.gz JEXHJBQODOIGSM-UHFFFAOYSA-N 0 3 330.403 2.990 40 0 EFABHN CN(C)CCN(Cc1ccnn1[C@@H]1CCCCO1)Cc1ccccn1 ZINC000022913971 212333439 /nfs/dbraw/zinc/33/34/39/212333439.db2.gz HPTPPJNOBBGRAT-IBGZPJMESA-N 0 3 343.475 2.541 40 0 EFABHN CCOc1ccc(CN2CCC[C@@H](c3nc(C)cn3C)C2)cc1CO ZINC000257339521 240313456 /nfs/dbraw/zinc/31/34/56/240313456.db2.gz ZCBMWMFPHCJZOR-QGZVFWFLSA-N 0 3 343.471 2.999 40 0 EFABHN CC(C)CN1CCO[C@H](CSc2n[nH]c(-c3cccs3)n2)C1 ZINC000022227503 212282661 /nfs/dbraw/zinc/28/26/61/212282661.db2.gz CAFJUYMSMZTYDL-LBPRGKRZSA-N 0 3 338.502 2.982 40 0 EFABHN CCOc1cc(CNCCN(C)C)cc(Br)c1OC ZINC000022076088 212276608 /nfs/dbraw/zinc/27/66/08/212276608.db2.gz AAYRKXDEALYWOO-UHFFFAOYSA-N 0 3 331.254 2.508 40 0 EFABHN Clc1ccc(Cc2nsc(N3CCNCC3)n2)cc1Cl ZINC000216642492 241202647 /nfs/dbraw/zinc/20/26/47/241202647.db2.gz WBWVLMNZSHUOSI-UHFFFAOYSA-N 0 3 329.256 2.845 40 0 EFABHN CCN1CCN(C[C@H](O)COC2CCC(C(C)(C)C)CC2)CC1 ZINC000022030670 212272254 /nfs/dbraw/zinc/27/22/54/212272254.db2.gz YHGMGJZUNQTMDT-ADKAHSJRSA-N 0 3 326.525 2.606 40 0 EFABHN O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCC(O)CC1 ZINC000022011109 212270251 /nfs/dbraw/zinc/27/02/51/212270251.db2.gz YQYMPSBTQIUQPX-IBGZPJMESA-N 0 3 327.424 2.550 40 0 EFABHN O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000225905466 242074784 /nfs/dbraw/zinc/07/47/84/242074784.db2.gz JTRSLFFZYOZOII-NVXWUHKLSA-N 0 3 336.863 2.847 40 0 EFABHN Fc1cccnc1OC1CCN(CCCO[C@H]2CCCCO2)CC1 ZINC000225773100 242029340 /nfs/dbraw/zinc/02/93/40/242029340.db2.gz FDPXZGLDKNNYGF-KRWDZBQOSA-N 0 3 338.423 2.997 40 0 EFABHN CCCc1nnc(NC(=O)[C@H]2CN(C)C[C@@H]2c2ccccc2)s1 ZINC000226751538 242113527 /nfs/dbraw/zinc/11/35/27/242113527.db2.gz WCHLFBAYCSVPQD-KGLIPLIRSA-N 0 3 330.457 2.775 40 0 EFABHN CCO[C@H]1C[C@@H](NCc2ccnn2-c2ccccc2)C12CCOCC2 ZINC000241969491 243008375 /nfs/dbraw/zinc/00/83/75/243008375.db2.gz UWQORDYKBWRBKB-MOPGFXCFSA-N 0 3 341.455 2.936 40 0 EFABHN Cn1cc(CN2CCC(c3ccnc(Nc4cnccn4)c3)CC2)cn1 ZINC000257201200 244120581 /nfs/dbraw/zinc/12/05/81/244120581.db2.gz AGSUICYCIFMAEB-UHFFFAOYSA-N 0 3 349.442 2.728 40 0 EFABHN CN1CCN(Cc2cc[nH]n2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257217578 244172998 /nfs/dbraw/zinc/17/29/98/244172998.db2.gz CZOFTVGFBCCRHA-MRXNPFEDSA-N 0 3 335.455 2.564 40 0 EFABHN Cc1cn(C)c([C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257227253 244203969 /nfs/dbraw/zinc/20/39/69/244203969.db2.gz FOIJERFKPXTDRE-MRXNPFEDSA-N 0 3 327.428 2.879 40 0 EFABHN Cc1ncsc1CN1CCC(c2cc(=O)n3nccc3[nH]2)CC1 ZINC000257227142 244204311 /nfs/dbraw/zinc/20/43/11/244204311.db2.gz FNXAYZHUFKVLBG-UHFFFAOYSA-N 0 3 329.429 2.579 40 0 EFABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3cccc4ncccc43)CCO2)n1 ZINC000257229312 244208042 /nfs/dbraw/zinc/20/80/42/244208042.db2.gz FXPGYALICZGUHR-IBGZPJMESA-N 0 3 348.406 2.734 40 0 EFABHN c1ccc2c(CN3CCOC[C@@H](Cc4cnccn4)C3)ccnc2c1 ZINC000257230120 244209739 /nfs/dbraw/zinc/20/97/39/244209739.db2.gz GAXWDSWTKNCNKW-INIZCTEOSA-N 0 3 334.423 2.716 40 0 EFABHN Cc1cncc([C@@H]2CCCN(C(=O)c3ccc(CN(C)C)cc3)C2)n1 ZINC000257248295 244262476 /nfs/dbraw/zinc/26/24/76/244262476.db2.gz JDAFUXRKZUVKMK-GOSISDBHSA-N 0 3 338.455 2.866 40 0 EFABHN Cc1cncc([C@H]2CCCN(C(=O)c3ccc(CN(C)C)cc3)C2)n1 ZINC000257248296 244263096 /nfs/dbraw/zinc/26/30/96/244263096.db2.gz JDAFUXRKZUVKMK-SFHVURJKSA-N 0 3 338.455 2.866 40 0 EFABHN c1[nH]nc(-c2ccccc2)c1CN1CCOC[C@@H](Cc2ccncn2)C1 ZINC000257252501 244274216 /nfs/dbraw/zinc/27/42/16/244274216.db2.gz JVABTMGJBGGSJT-INIZCTEOSA-N 0 3 349.438 2.558 40 0 EFABHN CN(C)C(=O)c1c[nH]nc1[C@@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000257253601 244276652 /nfs/dbraw/zinc/27/66/52/244276652.db2.gz JZOAHHXGINYPSU-OAHLLOKOSA-N 0 3 337.427 2.582 40 0 EFABHN Cc1c[nH]c(-c2cncc(C[C@H]3CCN(Cc4cncs4)C3)n2)n1 ZINC000257266393 244363502 /nfs/dbraw/zinc/36/35/02/244363502.db2.gz MCVFXAVEFZOOAX-CYBMUJFWSA-N 0 3 340.456 2.696 40 0 EFABHN COc1ccc(OCC(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C)cc1 ZINC000257265262 244358438 /nfs/dbraw/zinc/35/84/38/244358438.db2.gz LXXJHBSHFWVKLM-HKUYNNGSSA-N 0 3 332.444 2.549 40 0 EFABHN CC(C)n1nccc1CN1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257277090 244393996 /nfs/dbraw/zinc/39/39/96/244393996.db2.gz NWIZSQQKMYNXPL-UHFFFAOYSA-N 0 3 326.448 2.721 40 0 EFABHN CN1CCc2nc([C@@H]3CCCN(C(=O)C[C@H]4C=CCC4)C3)ncc2C1 ZINC000019590376 212049176 /nfs/dbraw/zinc/04/91/76/212049176.db2.gz MCBWIDSBSFPQDH-JKSUJKDBSA-N 0 3 340.471 2.527 40 0 EFABHN CN(C(=O)C(F)F)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019590841 212048800 /nfs/dbraw/zinc/04/88/00/212048800.db2.gz IOWACDDPZSRFON-UHFFFAOYSA-N 0 3 338.398 2.916 40 0 EFABHN CN1CC[C@@H](c2ncc3c(n2)CCN(C(=O)CCC2CCCC2)C3)C1 ZINC000019587935 212048491 /nfs/dbraw/zinc/04/84/91/212048491.db2.gz FUGGSKLQNMFJDE-MRXNPFEDSA-N 0 3 342.487 2.751 40 0 EFABHN CCOc1ccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1 ZINC000019533368 212039049 /nfs/dbraw/zinc/03/90/49/212039049.db2.gz YNJACQZUAQAWPF-IBGZPJMESA-N 0 3 338.455 2.858 40 0 EFABHN C[C@@H](Cn1cnc2ccccc21)C(=O)N1CCCC[C@H]1CN(C)C ZINC000019457741 212029816 /nfs/dbraw/zinc/02/98/16/212029816.db2.gz CYQUFWHZCIXFPK-HOTGVXAUSA-N 0 3 328.460 2.615 40 0 EFABHN O=C(N[C@H]1C[C@H]1C1CCCCC1)N1CCCN(C2CCOCC2)CC1 ZINC000095405364 284262546 /nfs/dbraw/zinc/26/25/46/284262546.db2.gz DYDQLEBLACJIKA-OALUTQOASA-N 0 3 349.519 2.852 40 0 EFABHN COc1cccc(CN2CCC(c3nn(C)c4nccnc34)CC2)c1 ZINC000019289447 212012069 /nfs/dbraw/zinc/01/20/69/212012069.db2.gz WEIJJERNKJHFCE-UHFFFAOYSA-N 0 3 337.427 2.752 40 0 EFABHN COc1cccc(CN2CCC[C@H](c3nn(C)c4nccnc34)C2)c1 ZINC000019289394 212011963 /nfs/dbraw/zinc/01/19/63/212011963.db2.gz VTIALMPDLOIZNM-HNNXBMFYSA-N 0 3 337.427 2.752 40 0 EFABHN COc1cccc(CN2CCC[C@@H](c3nn(C)c4nccnc34)C2)c1 ZINC000019289393 212011401 /nfs/dbraw/zinc/01/14/01/212011401.db2.gz VTIALMPDLOIZNM-OAHLLOKOSA-N 0 3 337.427 2.752 40 0 EFABHN O=C(CC1CCCCC1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019292344 212011421 /nfs/dbraw/zinc/01/14/21/212011421.db2.gz HKRXPBDLLWXMSX-QGZVFWFLSA-N 0 3 328.460 2.756 40 0 EFABHN COc1ccc(CN2CCc3nc(C)[nH]c(=O)c3CC2)c2ccccc12 ZINC000019286432 212009812 /nfs/dbraw/zinc/00/98/12/212009812.db2.gz JIPTXCITJAHWQI-UHFFFAOYSA-N 0 3 349.434 2.841 40 0 EFABHN CCN1CCN(CCC(=O)N[C@@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000078394355 217046936 /nfs/dbraw/zinc/04/69/36/217046936.db2.gz GDYMNHVGBNEXPA-KRWDZBQOSA-N 0 3 347.503 2.679 40 0 EFABHN CNS(=O)(=O)Cc1cccc(CNCc2cc(C)cc(C)c2)c1 ZINC000078553406 217074574 /nfs/dbraw/zinc/07/45/74/217074574.db2.gz YLUOSUZVPUFJMU-UHFFFAOYSA-N 0 3 332.469 2.642 40 0 EFABHN CS(=O)(=O)c1ccc(OCCNCc2ccc(Cl)cc2)cc1 ZINC000078602392 217083761 /nfs/dbraw/zinc/08/37/61/217083761.db2.gz OCMQEZBERSDDTP-UHFFFAOYSA-N 0 3 339.844 2.912 40 0 EFABHN CC(C(=O)N(Cc1c(F)cccc1F)C1CCCC1)S(C)(=O)=O ZINC000079040593 217179491 /nfs/dbraw/zinc/17/94/91/217179491.db2.gz MKSRHODKTDVAOP-LLVKDONJSA-N 0 3 345.411 2.669 40 0 EFABHN C[C@@H](NC1(CNC(=O)c2ccccn2)CCOCC1)c1ccccc1 ZINC000079096383 217191973 /nfs/dbraw/zinc/19/19/73/217191973.db2.gz AZFVICWMUCJMPM-MRXNPFEDSA-N 0 3 339.439 2.711 40 0 EFABHN COc1ccc(C(C)(C)CN[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000079354936 217213502 /nfs/dbraw/zinc/21/35/02/217213502.db2.gz PHMPVLISRQPOGY-CQSZACIVSA-N 0 3 344.377 2.726 40 0 EFABHN CCN(C(=O)[C@@H](N)C(C)C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079391446 217218704 /nfs/dbraw/zinc/21/87/04/217218704.db2.gz YFYHYUKXLLZXMH-NRXISQOPSA-N 0 3 341.496 2.654 40 0 EFABHN CC(C)N(C[C@H]1CCCCN1CCO)C(=O)OCc1ccccc1 ZINC000079411170 217222412 /nfs/dbraw/zinc/22/24/12/217222412.db2.gz GAVLVXZZRTYWJM-GOSISDBHSA-N 0 3 334.460 2.880 40 0 EFABHN CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)C(C)C ZINC000079410213 217222425 /nfs/dbraw/zinc/22/24/25/217222425.db2.gz MEELSOBURCLVDH-ZNMIVQPWSA-N 0 3 341.496 2.654 40 0 EFABHN C[C@@H]1C[C@@H](NC(=O)Nc2cnn(C)c2)CCN1Cc1ccccc1 ZINC000079778797 217254133 /nfs/dbraw/zinc/25/41/33/217254133.db2.gz VAFDTSLKQUGORT-ZBFHGGJFSA-N 0 3 327.432 2.595 40 0 EFABHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)COCO2 ZINC000081021954 217351249 /nfs/dbraw/zinc/35/12/49/217351249.db2.gz POVDBHDTBWFICP-UHFFFAOYSA-N 0 3 340.423 2.757 40 0 EFABHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1N(C)C ZINC000078046884 296231635 /nfs/dbraw/zinc/23/16/35/296231635.db2.gz NMLGGAGOHLYIFH-AWEZNQCLSA-N 0 3 347.484 2.593 40 0 EFABHN CNC(=S)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1OC ZINC000012481043 211391853 /nfs/dbraw/zinc/39/18/53/211391853.db2.gz RJXDVOIIBCXFSL-MQVJKMGUSA-N 0 3 333.501 2.675 40 0 EFABHN CC[C@H](CN1CCCCC1)NC(=O)Cc1cc(C(C)=O)ccc1OC ZINC000012362979 211355633 /nfs/dbraw/zinc/35/56/33/211355633.db2.gz IIUQSJOMJXKGPT-GOSISDBHSA-N 0 3 346.471 2.821 40 0 EFABHN CCOC(=O)[C@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCNC1 ZINC000012275187 211331677 /nfs/dbraw/zinc/33/16/77/211331677.db2.gz QOUWYSXHSREQHH-SFHVURJKSA-N 0 3 332.375 2.956 40 0 EFABHN COc1ccc(CN2CC[C@H](CO)C2)cc1Cc1c(C)noc1C ZINC000012191764 211315195 /nfs/dbraw/zinc/31/51/95/211315195.db2.gz VUYJQZQKBOXBLB-INIZCTEOSA-N 0 3 330.428 2.705 40 0 EFABHN CCc1n[nH]c(C(=O)NC[C@H](c2ccc(F)cc2)N2CCCC2)c1C ZINC000012147298 211307762 /nfs/dbraw/zinc/30/77/62/211307762.db2.gz NURCLULIPBMRDN-QGZVFWFLSA-N 0 3 344.434 2.987 40 0 EFABHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)NC1(CO)CCCC1 ZINC000095416122 218354774 /nfs/dbraw/zinc/35/47/74/218354774.db2.gz KMSZOKWMQNOQEX-SFHVURJKSA-N 0 3 345.487 2.503 40 0 EFABHN O=C(C[C@H](NCCO)c1ccccc1)c1cc2ccccc2oc1=O ZINC000005775105 210533270 /nfs/dbraw/zinc/53/32/70/210533270.db2.gz UCJCOMYBUSQUJU-KRWDZBQOSA-N 0 3 337.375 2.689 40 0 EFABHN CC(C)[C@H](NC1CCOCC1)C(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC000096436662 218816375 /nfs/dbraw/zinc/81/63/75/218816375.db2.gz AEUYFSJWEHSCDP-KRWDZBQOSA-N 0 3 334.464 2.799 40 0 EFABHN CCOc1cccc(CCNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000097234384 219001888 /nfs/dbraw/zinc/00/18/88/219001888.db2.gz GMNGTXJUZDIFNE-PKOBYXMFSA-N 0 3 345.487 2.754 40 0 EFABHN O=C1[C@@H](NC2CCN(c3nccs3)CC2)CCN1c1ccccc1 ZINC000097237670 219002989 /nfs/dbraw/zinc/00/29/89/219002989.db2.gz MGVJEMKNJSXFOY-INIZCTEOSA-N 0 3 342.468 2.507 40 0 EFABHN COCC[C@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000225468066 285171857 /nfs/dbraw/zinc/17/18/57/285171857.db2.gz WTUVWZFRZWPYCB-BBRMVZONSA-N 0 3 345.892 2.832 40 0 EFABHN S=C1NC2(CCN(Cc3ccccc3)CC2)NN1c1ccccc1 ZINC000225349892 285409721 /nfs/dbraw/zinc/40/97/21/285409721.db2.gz GJXHGRRYFSDSKR-UHFFFAOYSA-N 0 3 338.480 2.878 40 0 EFABHN COc1cccc(N2CC[C@H](CNCc3c(Cl)cnn3C)C2)c1 ZINC000131083112 533584956 /nfs/dbraw/zinc/58/49/56/533584956.db2.gz YUPMCIMAWJMVGG-CYBMUJFWSA-N 0 3 334.851 2.698 40 0 EFABHN CN1CCC2(CC1)C[C@H](NC(=O)c1ccco1)c1ccccc1O2 ZINC000072347136 273872038 /nfs/dbraw/zinc/87/20/38/273872038.db2.gz CYZDNMDQYWUVSI-HNNXBMFYSA-N 0 3 326.396 2.998 40 0 EFABHN COc1cc2c(cc1CN1CC[C@](O)(c3ccccc3)C1)OCCO2 ZINC000019550536 274101480 /nfs/dbraw/zinc/10/14/80/274101480.db2.gz MUQZUFMQENGHER-HXUWFJFHSA-N 0 3 341.407 2.560 40 0 EFABHN CCOc1ccc(CN2CC[C@H](C(=O)N3CCCC3)C2)cc1OCC ZINC000286739581 274263106 /nfs/dbraw/zinc/26/31/06/274263106.db2.gz CCRFGCCFSJLSKH-KRWDZBQOSA-N 0 3 346.471 2.928 40 0 EFABHN Cn1ccnc1CC1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000192007047 274896974 /nfs/dbraw/zinc/89/69/74/274896974.db2.gz GOQWGOBXIURQQO-SFHVURJKSA-N 0 3 338.455 2.628 40 0 EFABHN O=C(c1cscn1)N1CCC[C@]2(CCN(Cc3cccnc3)C2)C1 ZINC000096158118 275015807 /nfs/dbraw/zinc/01/58/07/275015807.db2.gz IVBPQFASJMTRLC-GOSISDBHSA-N 0 3 342.468 2.666 40 0 EFABHN CCN1CCN(CCC(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)CC1 ZINC000076472128 276194457 /nfs/dbraw/zinc/19/44/57/276194457.db2.gz WEMFGYJMXZCRSH-AZUAARDMSA-N 0 3 343.515 2.666 40 0 EFABHN CO[C@@H]1CCCC[C@H]1N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000252585713 277644485 /nfs/dbraw/zinc/64/44/85/277644485.db2.gz KLVIAGOJILPPTJ-DJIMGWMZSA-N 0 3 325.474 2.704 40 0 EFABHN CC(=O)N1CCN(CCCOCC(F)(F)F)CC12CCCCC2 ZINC000253418327 278040874 /nfs/dbraw/zinc/04/08/74/278040874.db2.gz JABICXBEXLLGHF-UHFFFAOYSA-N 0 3 336.398 2.822 40 0 EFABHN C[C@H]1CCc2nc(NC(=O)C3=CC4C=CC=C[C@@H]4OC3=O)sc2C1 ZINC000016740166 278389415 /nfs/dbraw/zinc/38/94/15/278389415.db2.gz FVKQGVCDINMMBG-MJVIPROJSA-N 0 3 342.420 2.800 40 0 EFABHN C[C@H]1CCc2nc(NC(=O)C3=CC4C=CC=C[C@@H]4OC3=O)sc2C1 ZINC000016740168 278389543 /nfs/dbraw/zinc/38/95/43/278389543.db2.gz FVKQGVCDINMMBG-WDMOLILDSA-N 0 3 342.420 2.800 40 0 EFABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@H](CN)c2ccccc2Cl)C1 ZINC000022927601 278443921 /nfs/dbraw/zinc/44/39/21/278443921.db2.gz UPAMDOYRFUOKHL-SWLSCSKDSA-N 0 3 339.867 2.939 40 0 EFABHN Cc1cccc(C(=O)N2C[C@@H]3CCN(Cc4ccncc4)C[C@@H]3C2)c1 ZINC000096081457 281192390 /nfs/dbraw/zinc/19/23/90/281192390.db2.gz SWRGANKUIZRHKE-VQTJNVASSA-N 0 3 335.451 2.984 40 0 EFABHN COc1ccc2c3c1OC1=C[C@@H](C(C)(C)O)C=C4[C@@H](C2)N(C)CC[C@]314 ZINC000096316430 295278388 /nfs/dbraw/zinc/27/83/88/295278388.db2.gz JSOHAHOCGKYFFC-QDUSTFBWSA-N 0 3 339.435 2.797 40 0 biogenic,in-vitro EFABHN Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223252947 302315206 /nfs/dbraw/zinc/31/52/06/302315206.db2.gz BWFULUAQLLIRFM-HUUCEWRRSA-N 0 3 346.525 2.986 40 0 EFABHN O=C1CC[C@H](NCc2ccsc2C(F)(F)F)[C@H]([C@@H]2CCCO2)N1 ZINC000529574787 316920463 /nfs/dbraw/zinc/92/04/63/316920463.db2.gz WUWNKTKBCDBFJW-GMXVVIOVSA-N 0 3 348.390 2.683 40 0 EFABHN CC[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[C@H]1CCCO1 ZINC000090859043 323213396 /nfs/dbraw/zinc/21/33/96/323213396.db2.gz WMRGCRJMFHHSRZ-TUKIKUTGSA-N 0 3 329.437 2.837 40 0 EFABHN Cc1c([C@@H](C)NCC(C)(C)C(N)=O)cnn1-c1cccc(Cl)c1 ZINC000183643170 323344798 /nfs/dbraw/zinc/34/47/98/323344798.db2.gz STFYZXZEHCRDEC-LLVKDONJSA-N 0 3 334.851 2.996 40 0 EFABHN CN(C)C(=O)[C@@H]1CC[C@H](CNC2c3ccccc3-c3ccccc32)O1 ZINC000183925253 323351059 /nfs/dbraw/zinc/35/10/59/323351059.db2.gz KNURNTONXDISPG-KUHUBIRLSA-N 0 3 336.435 2.982 40 0 EFABHN COc1ccc([C@H](N)c2nc(COc3ccc(F)cc3)n[nH]2)cc1 ZINC000095533692 473222328 /nfs/dbraw/zinc/22/23/28/473222328.db2.gz NNLPOPAESZEZMW-INIZCTEOSA-N 0 3 328.347 2.580 40 0 EFABHN COC(=O)[C@@H]1C[C@@H](O)[C@@H](N2CCC(c3c[nH]c4ccccc43)CC2)C1 ZINC000081647419 473238515 /nfs/dbraw/zinc/23/85/15/473238515.db2.gz IZLZDGVKFWWMJM-ZOCIIQOWSA-N 0 3 342.439 2.660 40 0 EFABHN COC[C@@]12CCCO[C@H]1CCN(Cc1cc(OC)cc(OC)c1)C2 ZINC000096039146 473260492 /nfs/dbraw/zinc/26/04/92/473260492.db2.gz NUDSVTVLBMFOIE-OALUTQOASA-N 0 3 335.444 2.721 40 0 EFABHN O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(Cc3ccco3)C[C@@H]21 ZINC000096043506 473265216 /nfs/dbraw/zinc/26/52/16/473265216.db2.gz DPBLRXMWVMYGPF-KZNAEPCWSA-N 0 3 341.411 2.540 40 0 EFABHN Cc1ccc(CN2CC[C@]3(C2)CCCN(C(=O)c2cnccn2)C3)o1 ZINC000096047074 473269136 /nfs/dbraw/zinc/26/91/36/473269136.db2.gz CIKPKFPYRVMNCG-IBGZPJMESA-N 0 3 340.427 2.506 40 0 EFABHN COCCN1C(=O)CC[C@@]12CCCN(Cc1ccc(OC)cc1)CC2 ZINC000096047526 473269608 /nfs/dbraw/zinc/26/96/08/473269608.db2.gz MKTHOYTYHHMCNQ-HXUWFJFHSA-N 0 3 346.471 2.689 40 0 EFABHN Cc1ccc(CN2CCC3(CCN(Cc4ccccn4)C3=O)CC2)o1 ZINC000096046899 473270062 /nfs/dbraw/zinc/27/00/62/473270062.db2.gz YCMOYEAVWZUKIX-UHFFFAOYSA-N 0 3 339.439 2.998 40 0 EFABHN O=C1N(Cc2cccnc2)CC[C@]12CCCN(Cc1ccco1)C2 ZINC000096048612 473270859 /nfs/dbraw/zinc/27/08/59/473270859.db2.gz LAYPXOUTCWGUNZ-IBGZPJMESA-N 0 3 325.412 2.689 40 0 EFABHN Cc1ccc(CN2CCC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)o1 ZINC000096048505 473271004 /nfs/dbraw/zinc/27/10/04/473271004.db2.gz QGHHWOWFABPJQQ-MAUKXSAKSA-N 0 3 346.406 2.753 40 0 EFABHN COc1ccc(CN2CCC[C@]3(C[C@H](n4ccnc4)CO3)C2)cc1 ZINC000096048560 473271598 /nfs/dbraw/zinc/27/15/98/473271598.db2.gz ZSUPZBRVNNTAMD-HKUYNNGSSA-N 0 3 327.428 2.888 40 0 EFABHN CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccsc1)C2 ZINC000096048597 473272054 /nfs/dbraw/zinc/27/20/54/473272054.db2.gz MTCGWDNPIHAOMY-FUHWJXTLSA-N 0 3 344.484 2.798 40 0 EFABHN O=C1C[C@]2(CCN(Cc3ccccn3)C2)CN1c1cccc(F)c1 ZINC000096050729 473273357 /nfs/dbraw/zinc/27/33/57/473273357.db2.gz YRAZNFYEQXQQBX-IBGZPJMESA-N 0 3 325.387 2.850 40 0 EFABHN COc1cccc(CN2CC[C@]3(CCN(Cc4ccco4)C3)C2=O)c1 ZINC000096050649 473273685 /nfs/dbraw/zinc/27/36/85/473273685.db2.gz YMMHPAJFEYUELG-FQEVSTJZSA-N 0 3 340.423 2.913 40 0 EFABHN c1cc(CN2CCC[C@@]3(C2)COCCN(c2cnccn2)C3)cs1 ZINC000096049628 473274438 /nfs/dbraw/zinc/27/44/38/473274438.db2.gz DVFAHDVHXIXTDY-SFHVURJKSA-N 0 3 344.484 2.657 40 0 EFABHN Cc1ccc(CN2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccc(C)n2)o1 ZINC000096054037 473276790 /nfs/dbraw/zinc/27/67/90/473276790.db2.gz WBCUVVHJHZRSGA-ROUUACIJSA-N 0 3 325.412 2.667 40 0 EFABHN Cc1ccc(C(=O)N2C[C@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)o1 ZINC000096053894 473276877 /nfs/dbraw/zinc/27/68/77/473276877.db2.gz SCLLUZLHCYEOKB-IYBDPMFKSA-N 0 3 328.387 2.931 40 0 EFABHN Cn1ccc(C(=O)N[C@H]2CCC23CCN(Cc2cccnc2)CC3)c1 ZINC000096051703 473277052 /nfs/dbraw/zinc/27/70/52/473277052.db2.gz FPMYFGMRUTVJOJ-SFHVURJKSA-N 0 3 338.455 2.595 40 0 EFABHN O=C1C[C@@H]2[C@H](CCN2Cc2ccc(F)cc2)N1Cc1ccncc1 ZINC000096055682 473277983 /nfs/dbraw/zinc/27/79/83/473277983.db2.gz XMKOHBQNZFROIZ-ZWKOTPCHSA-N 0 3 325.387 2.596 40 0 EFABHN c1cc(CN2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)cs1 ZINC000096055031 473278345 /nfs/dbraw/zinc/27/83/45/473278345.db2.gz JHQVMIFJKJYNCS-QZTJIDSGSA-N 0 3 329.469 2.618 40 0 EFABHN COc1ccc(CNC[C@@H]2OCCc3cn(CC4CC4)nc32)cc1 ZINC000096059749 473283391 /nfs/dbraw/zinc/28/33/91/473283391.db2.gz NSFYHFPPYYMRKT-SFHVURJKSA-N 0 3 327.428 2.705 40 0 EFABHN c1ccc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2ccncc2)cc1 ZINC000096061691 473284995 /nfs/dbraw/zinc/28/49/95/473284995.db2.gz VDOYIYNXMKQFAU-RTWAWAEBSA-N 0 3 337.467 2.599 40 0 EFABHN Cc1ccc(CN2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)o1 ZINC000096061398 473286108 /nfs/dbraw/zinc/28/61/08/473286108.db2.gz CDSHXGCBXBZDJI-QGZVFWFLSA-N 0 3 325.412 2.621 40 0 EFABHN CC[C@@H]1N(Cc2cc(OC)cc(OC)c2)CCC[C@]12CCC(=O)N2 ZINC000096063554 473286687 /nfs/dbraw/zinc/28/66/87/473286687.db2.gz NSUTYSMGCJYIJU-HKUYNNGSSA-N 0 3 332.444 2.727 40 0 EFABHN O=C(Nc1cccnc1)[C@H]1CO[C@H]2CCN(Cc3ccco3)C[C@H]2C1 ZINC000096066044 473288099 /nfs/dbraw/zinc/28/80/99/473288099.db2.gz SEJLQVPHZGDBML-RKVPGOIHSA-N 0 3 341.411 2.540 40 0 EFABHN COc1ccc(CN2CC[C@]3(C2)CCCN(C(=O)N(C)C)C3)cc1 ZINC000096071593 473289521 /nfs/dbraw/zinc/28/95/21/473289521.db2.gz IKPKOMHGDZADFN-IBGZPJMESA-N 0 3 331.460 2.665 40 0 EFABHN Cc1noc(C)c1CN1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1 ZINC000096077371 473290642 /nfs/dbraw/zinc/29/06/42/473290642.db2.gz VQKHZZIOMSNJEB-LJQANCHMSA-N 0 3 325.412 2.920 40 0 EFABHN O=C(c1ccncc1)N1CCC2(CCCN2Cc2cccnc2)CC1 ZINC000096075373 473290753 /nfs/dbraw/zinc/29/07/53/473290753.db2.gz VMIUDQYEXWVZDD-UHFFFAOYSA-N 0 3 336.439 2.747 40 0 EFABHN CN(C)c1cnnc(N2CCN(C(=O)CCC3CCCCC3)CC2)c1 ZINC000096098672 473294590 /nfs/dbraw/zinc/29/45/90/473294590.db2.gz HYXHWCXAQCOJPV-UHFFFAOYSA-N 0 3 345.491 2.552 40 0 EFABHN CC(C)n1nc(COCCN(C)C)c2c1CN(Cc1ccco1)CC2 ZINC000096085017 473293796 /nfs/dbraw/zinc/29/37/96/473293796.db2.gz VTUWGVMETQEGNM-UHFFFAOYSA-N 0 3 346.475 2.694 40 0 EFABHN Fc1cccnc1O[C@@H]1COC2(C1)CCN(Cc1ccncc1)CC2 ZINC000096107035 473299443 /nfs/dbraw/zinc/29/94/43/473299443.db2.gz XUYYCTFITFVBTO-INIZCTEOSA-N 0 3 343.402 2.818 40 0 EFABHN Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4cccnc4)CCN3C2)c1 ZINC000096110704 473303509 /nfs/dbraw/zinc/30/35/09/473303509.db2.gz JSBVORPPEWRCAE-PKOBYXMFSA-N 0 3 327.403 2.558 40 0 EFABHN COc1ccc(C[C@H]2CN(Cc3cnn(C)c3)CC[C@H]2OC)cc1 ZINC000096110233 473304066 /nfs/dbraw/zinc/30/40/66/473304066.db2.gz FMQZHCPUZRIZHS-PKOBYXMFSA-N 0 3 329.444 2.508 40 0 EFABHN CN(C)C(=O)CC1CCC2(CC1)CCN(Cc1cnn(C)c1)CC2 ZINC000096159359 473319774 /nfs/dbraw/zinc/31/97/74/473319774.db2.gz ADRKXVDTJAUJFM-UHFFFAOYSA-N 0 3 332.492 2.671 40 0 EFABHN O=C(c1cccnc1)N1CCC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096157493 473315844 /nfs/dbraw/zinc/31/58/44/473315844.db2.gz NWDPIDXXLMOEGG-UHFFFAOYSA-N 0 3 336.439 2.605 40 0 EFABHN Cn1ccnc1CN1CCC2(CCN(Cc3nccs3)CC2)CC1 ZINC000096158398 473317413 /nfs/dbraw/zinc/31/74/13/473317413.db2.gz IJWUQBKLTRVERW-UHFFFAOYSA-N 0 3 345.516 2.755 40 0 EFABHN O=C1N(c2cccnc2)CC[C@@]12CCN(Cc1ccc(F)cc1)C2 ZINC000096159509 473319217 /nfs/dbraw/zinc/31/92/17/473319217.db2.gz IHEFVGKIVMFGGT-LJQANCHMSA-N 0 3 325.387 2.850 40 0 EFABHN Cc1nnsc1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000190570678 473322734 /nfs/dbraw/zinc/32/27/34/473322734.db2.gz DIHLJEOEXXUROC-UHFFFAOYSA-N 0 3 346.456 2.964 40 0 EFABHN Cc1cccc(CN2CC[C@H]3[C@@H]2CCC(=O)N3CC2CCOCC2)c1 ZINC000096186340 473328941 /nfs/dbraw/zinc/32/89/41/473328941.db2.gz CNNVNWLYMMRHCX-PMACEKPBSA-N 0 3 342.483 2.987 40 0 EFABHN O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1 ZINC000096187272 473329481 /nfs/dbraw/zinc/32/94/81/473329481.db2.gz GGQPCPCZUGWXGH-BRWVUGGUSA-N 0 3 346.452 2.779 40 0 EFABHN c1cc(CN2CCc3ncc(CN4CCCCC4)n3CC2)cs1 ZINC000096196880 473332709 /nfs/dbraw/zinc/33/27/09/473332709.db2.gz LXTYZQNTXMTHNB-UHFFFAOYSA-N 0 3 330.501 2.989 40 0 EFABHN O=c1ccc2c(n1Cc1cccnc1)CC[C@@H](NCc1ccco1)C2 ZINC000096196585 473333119 /nfs/dbraw/zinc/33/31/19/473333119.db2.gz HVEPHBDGBZPWJY-QGZVFWFLSA-N 0 3 335.407 2.532 40 0 EFABHN CCN(CC)Cc1cnc2n1CCN(Cc1csc(C)n1)CC2 ZINC000096196826 473333261 /nfs/dbraw/zinc/33/32/61/473333261.db2.gz AVJDUFMRXDGGLD-UHFFFAOYSA-N 0 3 333.505 2.548 40 0 EFABHN COCCO[C@H]1CCN(Cc2c(C)noc2C)[C@H]1Cc1cccnc1 ZINC000096200509 473335078 /nfs/dbraw/zinc/33/50/78/473335078.db2.gz AWHQENOQHWHWKU-OALUTQOASA-N 0 3 345.443 2.535 40 0 EFABHN O=C1NC2(C[C@@H]1c1ccncc1)CCN(Cc1cccs1)CC2 ZINC000096199533 473336322 /nfs/dbraw/zinc/33/63/22/473336322.db2.gz ASSFRCGHBXDTCR-MRXNPFEDSA-N 0 3 327.453 2.781 40 0 EFABHN O=C1C[C@H](c2ccncc2)C2(CCN(Cc3ccsc3)CC2)N1 ZINC000096199898 473336396 /nfs/dbraw/zinc/33/63/96/473336396.db2.gz NMILXDFLCDDVAE-MRXNPFEDSA-N 0 3 327.453 2.781 40 0 EFABHN O=C(NC[C@@H]1CCC[C@]2(CCN(Cc3ccccc3F)C2)O1)C1CC1 ZINC000096207675 473343530 /nfs/dbraw/zinc/34/35/30/473343530.db2.gz LFNXJVPHERQYFN-FXAWDEMLSA-N 0 3 346.446 2.866 40 0 EFABHN c1csc(CN2C[C@@H]3COC[C@]3(Cc3nnc(C4CC4)o3)C2)c1 ZINC000096208064 473343590 /nfs/dbraw/zinc/34/35/90/473343590.db2.gz OVSJUBRZSQRPPB-DYVFJYSZSA-N 0 3 331.441 2.700 40 0 EFABHN O=C(N[C@@H]1CCO[C@]2(CCN(Cc3ccsc3)C2)C1)N1CCCC1 ZINC000096206231 473341226 /nfs/dbraw/zinc/34/12/26/473341226.db2.gz AAJQEBCHQCWKDK-SJLPKXTDSA-N 0 3 349.500 2.677 40 0 EFABHN Cc1ncsc1CN1C[C@@H]2CN(Cc3ccsc3)CCO[C@@H]2C1 ZINC000096207374 473342619 /nfs/dbraw/zinc/34/26/19/473342619.db2.gz WPCNZUCJEIRZSI-JKSUJKDBSA-N 0 3 349.525 2.846 40 0 EFABHN Cc1ccc(OC[C@H]2CO[C@@H]3CN(Cc4cccs4)C[C@H]23)cn1 ZINC000096215925 473346457 /nfs/dbraw/zinc/34/64/57/473346457.db2.gz CDCXYJYIWOEZIK-BMGDILEWSA-N 0 3 330.453 2.977 40 0 EFABHN COc1cc(N2CCC[C@@]3(CCN(Cc4ccoc4)C3)C2)ncn1 ZINC000096216504 473349176 /nfs/dbraw/zinc/34/91/76/473349176.db2.gz ITCAQMSCZCLZRM-SFHVURJKSA-N 0 3 328.416 2.571 40 0 EFABHN c1cc(CN2CCC3(CCOC[C@@H]3COc3cnccn3)CC2)co1 ZINC000096216679 473350459 /nfs/dbraw/zinc/35/04/59/473350459.db2.gz JMVPFIHNKUHRPJ-QGZVFWFLSA-N 0 3 343.427 2.767 40 0 EFABHN Cc1ccc(CN2CC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)o1 ZINC000096219317 473352017 /nfs/dbraw/zinc/35/20/17/473352017.db2.gz DRDVBZPUDPTNFO-MOPGFXCFSA-N 0 3 328.412 2.933 40 0 EFABHN O=C(C[C@H]1CO[C@@H]2CN(Cc3cccs3)C[C@H]12)Nc1cccnc1 ZINC000096218973 473352415 /nfs/dbraw/zinc/35/24/15/473352415.db2.gz BODVDXAFIMPQCW-IAOVAPTHSA-N 0 3 343.452 2.619 40 0 EFABHN CN(Cc1ccccc1)[C@H]1COC2(C1)CCN(C(=O)C1CC1)CC2 ZINC000096221039 473353874 /nfs/dbraw/zinc/35/38/74/473353874.db2.gz LDEIXYRYWCSDGR-GOSISDBHSA-N 0 3 328.456 2.679 40 0 EFABHN Cc1noc(C)c1CN1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC000096221689 473354348 /nfs/dbraw/zinc/35/43/48/473354348.db2.gz CKPDRHQWNJNKTI-KRWDZBQOSA-N 0 3 343.427 2.889 40 0 EFABHN O=C1N(Cc2ccncc2)CC[C@]12CCCN(Cc1ccco1)C2 ZINC000096224436 473355392 /nfs/dbraw/zinc/35/53/92/473355392.db2.gz RBJUKRQIBOUTGU-IBGZPJMESA-N 0 3 325.412 2.689 40 0 EFABHN Cn1cc(CN2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)cn1 ZINC000096224592 473355581 /nfs/dbraw/zinc/35/55/81/473355581.db2.gz HXARIHXWTGTVPS-KRWDZBQOSA-N 0 3 330.457 2.501 40 0 EFABHN c1cc(CN2CCC3(CC2)COCCN(c2ncccn2)C3)cs1 ZINC000096240004 473362960 /nfs/dbraw/zinc/36/29/60/473362960.db2.gz LTRDTWPMIPLBKJ-UHFFFAOYSA-N 0 3 344.484 2.657 40 0 EFABHN c1ccc(N2CCOC[C@]3(CCCN(Cc4ccncc4)C3)C2)nc1 ZINC000096229056 473359444 /nfs/dbraw/zinc/35/94/44/473359444.db2.gz DHOJHVAMWYXOBG-FQEVSTJZSA-N 0 3 338.455 2.596 40 0 EFABHN O=C(Cc1ccccc1)N1CCC[C@@]2(C1)COCCN(CC1CC1)C2 ZINC000096228809 473359517 /nfs/dbraw/zinc/35/95/17/473359517.db2.gz ZIVOKYVJXHCLKQ-OAQYLSRUSA-N 0 3 342.483 2.580 40 0 EFABHN Cn1cc(CN2CCC[C@]3(C2)COCCN(c2ccccc2)C3)cn1 ZINC000096228952 473359653 /nfs/dbraw/zinc/35/96/53/473359653.db2.gz PBWGHAASIGABRU-HXUWFJFHSA-N 0 3 340.471 2.539 40 0 EFABHN O=C1C[C@]2(CCN(Cc3ccncc3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239055 473361259 /nfs/dbraw/zinc/36/12/59/473361259.db2.gz JSVIEJGIYMYALO-IBGZPJMESA-N 0 3 343.377 2.989 40 0 EFABHN O=C(CC[C@@H]1CCOC1)NCC1(N2CCSCC2)CCCCC1 ZINC000177353509 473361256 /nfs/dbraw/zinc/36/12/56/473361256.db2.gz VSIAUWHIKMENTN-MRXNPFEDSA-N 0 3 340.533 2.671 40 0 EFABHN c1coc(CN2CCC3(CC2)COCCN(c2cccnc2)C3)c1 ZINC000096239970 473363147 /nfs/dbraw/zinc/36/31/47/473363147.db2.gz XVWJSLLYPPVQGO-UHFFFAOYSA-N 0 3 327.428 2.794 40 0 EFABHN Cc1cccnc1CNC[C@H]1Cn2cc(-c3ccccc3)nc2CO1 ZINC000096296295 473372558 /nfs/dbraw/zinc/37/25/58/473372558.db2.gz AUPSBMUKOZHDBA-KRWDZBQOSA-N 0 3 334.423 2.942 40 0 biogenic,in-vitro EFABHN Fc1ccc(OCCNCc2c[nH]nc2-c2cccnc2)cc1F ZINC000096404596 473382068 /nfs/dbraw/zinc/38/20/68/473382068.db2.gz YLLNVORYDBNPAU-UHFFFAOYSA-N 0 3 330.338 2.919 40 0 EFABHN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)/C=C/c1cccnc1 ZINC000096407623 473385446 /nfs/dbraw/zinc/38/54/46/473385446.db2.gz QHPXNKXRGHIMAE-KRCKVYFQSA-N 0 3 336.439 2.517 40 0 EFABHN C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCSCC2)CC1 ZINC000096407821 473385697 /nfs/dbraw/zinc/38/56/97/473385697.db2.gz DPSAJCZRIYADQL-OAHLLOKOSA-N 0 3 333.501 2.970 40 0 EFABHN CN1CCC[C@H](C(=O)N2c3ccccc3NC(=O)c3cccnc32)C1 ZINC000000004265 471317912 /nfs/dbraw/zinc/31/79/12/471317912.db2.gz LPLNSPKKMWHFAU-ZDUSSCGKSA-N 0 3 336.395 2.654 40 0 investigational EFABHN COc1ccc(C(=O)N2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000000300559 471344914 /nfs/dbraw/zinc/34/49/14/471344914.db2.gz ZWUFFHHUFFLOMC-BPQIPLTHSA-N 0 3 326.440 2.665 40 0 EFABHN CN1CCC(OC(=O)C2(O)c3ccccc3Oc3ccccc32)CC1 ZINC000001641836 471395373 /nfs/dbraw/zinc/39/53/73/471395373.db2.gz XWNYLOBIJMEALR-UHFFFAOYSA-N 0 3 339.391 2.666 40 0 EFABHN CC(=O)c1ccccc1OC[C@H](O)CN1C(C)(C)CC(O)CC1(C)C ZINC000002701402 471417484 /nfs/dbraw/zinc/41/74/84/471417484.db2.gz MBANWQYXUIBFPL-MRXNPFEDSA-N 0 3 349.471 2.643 40 0 EFABHN COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1O ZINC000003847376 471455188 /nfs/dbraw/zinc/45/51/88/471455188.db2.gz PBARFBACJNHQIC-HNNXBMFYSA-N 0 3 329.396 2.848 40 0 in-vitro EFABHN CN1CCC2(CC1)C(=O)N(Nc1ccccc1)C(=O)[C@H]2c1ccccc1 ZINC000005179447 471488758 /nfs/dbraw/zinc/48/87/58/471488758.db2.gz GQAIJEWIJRRXHS-GOSISDBHSA-N 0 3 349.434 2.878 40 0 EFABHN c1ccc(CN[C@H]2CO[C@@H]3[C@H](OCc4ccccc4)CO[C@H]23)cc1 ZINC000005397158 471503252 /nfs/dbraw/zinc/50/32/52/471503252.db2.gz QOYDVUIMZDXPKU-MTQWCTHYSA-N 0 3 325.408 2.528 40 0 biogenic,in-vitro EFABHN O=C(C[C@@H](NCCO)c1ccccc1)c1cc2ccccc2oc1=O ZINC000005774860 471520303 /nfs/dbraw/zinc/52/03/03/471520303.db2.gz UCJCOMYBUSQUJU-QGZVFWFLSA-N 0 3 337.375 2.689 40 0 EFABHN Cc1nn(-c2ccc(F)cc2)c(C)c1CNCCCN1CCCC1=O ZINC000017310087 471961153 /nfs/dbraw/zinc/96/11/53/471961153.db2.gz HSRIXKMHCGFCAP-UHFFFAOYSA-N 0 3 344.434 2.730 40 0 EFABHN Cc1ccc([C@H](O)CN2CCCN(c3ccccn3)CC2)c(C)c1 ZINC000019132443 471977593 /nfs/dbraw/zinc/97/75/93/471977593.db2.gz TUGMPZYHTMSJDK-LJQANCHMSA-N 0 3 325.456 2.944 40 0 EFABHN O[C@H](CN1CCCN(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000019656846 471983564 /nfs/dbraw/zinc/98/35/64/471983564.db2.gz ZELPTZHGNDWTRR-QGZVFWFLSA-N 0 3 331.847 2.981 40 0 EFABHN COCCOc1cccc(CN2CC[C@@]3(C)NC(=O)CCCC[C@@H]23)c1 ZINC000019713385 471984868 /nfs/dbraw/zinc/98/48/68/471984868.db2.gz VMCIQTFECPTONR-UYAOXDASSA-N 0 3 346.471 2.735 40 0 EFABHN COC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)cc1 ZINC000027530300 472179876 /nfs/dbraw/zinc/17/98/76/472179876.db2.gz RAAQWHZPYFVJFK-YOEHRIQHSA-N 0 3 329.396 2.564 40 0 EFABHN O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCN2CCC[C@H]2C1 ZINC000028226205 472218127 /nfs/dbraw/zinc/21/81/27/472218127.db2.gz YLWFLCUILPKKSW-HNNXBMFYSA-N 0 3 344.386 2.918 40 0 EFABHN Cc1nnc([C@@H](NC(=O)Nc2cccc(CN(C)C)c2)C(C)C)[nH]1 ZINC000085357183 472237722 /nfs/dbraw/zinc/23/77/22/472237722.db2.gz OYSFZLGLJNGLCF-HNNXBMFYSA-N 0 3 330.436 2.694 40 0 EFABHN C[C@@H]1CN(CCCCNC(=O)[C@@H]2CSc3ccccc32)C[C@H](C)O1 ZINC000085456843 472249025 /nfs/dbraw/zinc/24/90/25/472249025.db2.gz CQYLRDKBAXXDPX-HLLBOEOZSA-N 0 3 348.512 2.882 40 0 EFABHN CN(C)c1cccc(C(=O)N2CCCSC[C@H]2CN2CCCC2)c1 ZINC000085473203 472253020 /nfs/dbraw/zinc/25/30/20/472253020.db2.gz HGMGECGRIQHMBJ-GOSISDBHSA-N 0 3 347.528 2.796 40 0 EFABHN Cc1cc(C(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)no1 ZINC000043972338 472276894 /nfs/dbraw/zinc/27/68/94/472276894.db2.gz FPMOHSOCDSGRAK-UHFFFAOYSA-N 0 3 331.416 2.835 40 0 EFABHN O=C(COc1ccc(F)cc1)NCCCN1CCc2ccccc2C1 ZINC000029838151 472299247 /nfs/dbraw/zinc/29/92/47/472299247.db2.gz MCEMIGYVUWIHLO-UHFFFAOYSA-N 0 3 342.414 2.769 40 0 EFABHN Cc1csc(CN(C)C2CCN(CCc3ccccn3)CC2)n1 ZINC000088603676 472376849 /nfs/dbraw/zinc/37/68/49/472376849.db2.gz AGNXNZYZIQZUTI-UHFFFAOYSA-N 0 3 330.501 2.985 40 0 EFABHN C[C@H](CN1CCCN(CC(=O)N2CCCC2)CC1)c1ccc(F)cc1 ZINC000097103879 472449221 /nfs/dbraw/zinc/44/92/21/472449221.db2.gz QSERULWIWIYMCK-QGZVFWFLSA-N 0 3 347.478 2.559 40 0 EFABHN C[C@@H](NC1CCN(C(=O)NC2CCCCC2)CC1)c1cnccn1 ZINC000089639623 472475052 /nfs/dbraw/zinc/47/50/52/472475052.db2.gz OVQPDIHAEGIWCW-CQSZACIVSA-N 0 3 331.464 2.634 40 0 EFABHN CC[C@@](C)(NCc1cc(Br)cc2cccnc21)C(N)=O ZINC000097228050 472484257 /nfs/dbraw/zinc/48/42/57/472484257.db2.gz NLIYCUNNNMYZMU-OAHLLOKOSA-N 0 3 336.233 2.741 40 0 EFABHN Cc1ccc(F)cc1CN1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000097233859 472484986 /nfs/dbraw/zinc/48/49/86/472484986.db2.gz ACHYPUSVZXDALG-HZPDHXFCSA-N 0 3 348.462 2.982 40 0 EFABHN C[C@@H](CCn1cccn1)NCc1cn2cc(Br)ccc2n1 ZINC000097234101 472485107 /nfs/dbraw/zinc/48/51/07/472485107.db2.gz FWOBUNFKKJIXPO-LBPRGKRZSA-N 0 3 348.248 2.862 40 0 EFABHN Cc1ccc(F)cc1CN1CCC(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000097233858 472485126 /nfs/dbraw/zinc/48/51/26/472485126.db2.gz ACHYPUSVZXDALG-IYBDPMFKSA-N 0 3 348.462 2.982 40 0 EFABHN Cn1ccnc1C[C@@H]1CCCN(Cc2ccc(N3CCCC3)nc2)C1 ZINC000097377016 472494823 /nfs/dbraw/zinc/49/48/23/472494823.db2.gz ASTWQBIAIVDVTB-KRWDZBQOSA-N 0 3 339.487 2.870 40 0 EFABHN CCc1ccc([C@H](CNC(=O)N2CCC(C)(CO)CC2)N(C)C)cc1 ZINC000097377570 472495365 /nfs/dbraw/zinc/49/53/65/472495365.db2.gz ANPUDCVECKKSOK-SFHVURJKSA-N 0 3 347.503 2.656 40 0 EFABHN C/C=C1/C[N@H+]2CC[C@]34c5cccc([O-])c5N=C3C(C(=O)OC)[C@H]1C[C@H]24 ZINC000058169438 472511867 /nfs/dbraw/zinc/51/18/67/472511867.db2.gz FAJVFJABOWWACZ-GGGKWMOSSA-N 0 3 338.407 2.537 40 0 biogenic EFABHN C/C=C1/C[N@@H+]2CC[C@]34c5cccc([O-])c5N=C3C(C(=O)OC)[C@H]1C[C@H]24 ZINC000058169438 472511872 /nfs/dbraw/zinc/51/18/72/472511872.db2.gz FAJVFJABOWWACZ-GGGKWMOSSA-N 0 3 338.407 2.537 40 0 biogenic EFABHN Cc1cc(N2CCN(C(C)C)CC2)ncc1CNC(=O)OC(C)(C)C ZINC000072223702 472634697 /nfs/dbraw/zinc/63/46/97/472634697.db2.gz ZUEMMXKAUWWUAF-UHFFFAOYSA-N 0 3 348.491 2.945 40 0 EFABHN CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@H]2CCCCN2)CC1 ZINC000072216475 472634787 /nfs/dbraw/zinc/63/47/87/472634787.db2.gz JETVYJRZYKTTOY-MRXNPFEDSA-N 0 3 346.475 2.953 40 0 EFABHN CCOc1ccccc1NC(=O)N1CCCSC[C@@H]1CN(C)C ZINC000090608924 472641909 /nfs/dbraw/zinc/64/19/09/472641909.db2.gz OPNLBDMMRVDLHD-AWEZNQCLSA-N 0 3 337.489 2.986 40 0 EFABHN CN(C)C[C@@H]1CSCCCN1C(=O)CSCc1ccccc1 ZINC000090608890 472642425 /nfs/dbraw/zinc/64/24/25/472642425.db2.gz RFSSFCRZALDXMP-MRXNPFEDSA-N 0 3 338.542 2.816 40 0 EFABHN O=S(=O)(c1ccccc1)N1C[C@@H]2CCCCN(CC3CC3)[C@@H]2C1 ZINC000072330675 472661000 /nfs/dbraw/zinc/66/10/00/472661000.db2.gz NCPUYMUVACXBRQ-FUHWJXTLSA-N 0 3 334.485 2.572 40 0 EFABHN COc1ccc(-c2c(C)nn3c2nc(C)cc3NCCN(C)C)cc1 ZINC000072341680 472663069 /nfs/dbraw/zinc/66/30/69/472663069.db2.gz ITELNDWXEOJBAR-UHFFFAOYSA-N 0 3 339.443 2.995 40 0 EFABHN CN1CCC2(CC1)c1cc(F)ccc1N(Cc1cccnc1)C2=O ZINC000105050117 472715565 /nfs/dbraw/zinc/71/55/65/472715565.db2.gz SZARHDYXFFLNDD-UHFFFAOYSA-N 0 3 325.387 2.731 40 0 EFABHN C[C@H](NCCc1nc(-c2ccco2)n[nH]1)c1nc2ccccc2n1C ZINC000091374232 472761783 /nfs/dbraw/zinc/76/17/83/472761783.db2.gz JXMHWDIVBCNWOY-LBPRGKRZSA-N 0 3 336.399 2.845 40 0 EFABHN O[C@H](CN1CCC[C@H](c2nncn2C2CC2)C1)c1ccc(F)cc1 ZINC000091630548 472787996 /nfs/dbraw/zinc/78/79/96/472787996.db2.gz YPNQCGZQYMBYRB-WMLDXEAASA-N 0 3 330.407 2.665 40 0 EFABHN C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cnccc1N1CCCCC1 ZINC000079041065 472809972 /nfs/dbraw/zinc/80/99/72/472809972.db2.gz JZKSVNRXORBCPQ-GJZGRUSLSA-N 0 3 333.432 2.595 40 0 EFABHN CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000121714410 472898351 /nfs/dbraw/zinc/89/83/51/472898351.db2.gz MRDYSRGTRDKAFA-XHDPSFHLSA-N 0 3 329.366 2.932 40 0 EFABHN CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000121714553 472898620 /nfs/dbraw/zinc/89/86/20/472898620.db2.gz MRDYSRGTRDKAFA-IAQYHMDHSA-N 0 3 329.366 2.932 40 0 EFABHN Cc1cccc(N2CC[C@H]3CO[C@H](CN(C)Cc4ccco4)[C@H]3C2)n1 ZINC000107202747 472932423 /nfs/dbraw/zinc/93/24/23/472932423.db2.gz GPDUZBQUWIQLEX-YTQUADARSA-N 0 3 341.455 2.956 40 0 EFABHN OCc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)o1 ZINC000049169324 472934486 /nfs/dbraw/zinc/93/44/86/472934486.db2.gz CTNRYDWLBCERNI-AWEZNQCLSA-N 0 3 325.368 2.811 40 0 biogenic,in-vitro EFABHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000134796682 472967957 /nfs/dbraw/zinc/96/79/57/472967957.db2.gz VJLVPKAVHYJZTB-SJWGOKEGSA-N 0 3 335.469 2.698 40 0 EFABHN COc1ccc(CN2CCC[C@]3(C[C@@H](n4ccnc4)CO3)C2)cc1 ZINC000107731394 472980671 /nfs/dbraw/zinc/98/06/71/472980671.db2.gz ZSUPZBRVNNTAMD-MJGOQNOKSA-N 0 3 327.428 2.888 40 0 EFABHN O=C([C@H]1CCC[C@]12CCN(Cc1ccccn1)C2)N1CC(F)(F)C1 ZINC000108532021 473035608 /nfs/dbraw/zinc/03/56/08/473035608.db2.gz IIYVTZWUOQAMRH-NVXWUHKLSA-N 0 3 335.398 2.551 40 0 EFABHN Cc1cccnc1CN1CC[C@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108532079 473035758 /nfs/dbraw/zinc/03/57/58/473035758.db2.gz LOQWFVZBCMTYCW-MAUKXSAKSA-N 0 3 349.425 2.860 40 0 EFABHN O=C([C@H]1CCC[C@]12CCN(Cc1cccnc1)C2)N1CC(F)(F)C1 ZINC000108528644 473036373 /nfs/dbraw/zinc/03/63/73/473036373.db2.gz LIOKTPLQXGBAPI-NVXWUHKLSA-N 0 3 335.398 2.551 40 0 EFABHN CN(C)C(=O)N[C@@H]1CCOC2(CCN(Cc3ccccc3F)CC2)C1 ZINC000108532768 473036427 /nfs/dbraw/zinc/03/64/27/473036427.db2.gz NMTLJINGYAINJD-MRXNPFEDSA-N 0 3 349.450 2.611 40 0 EFABHN O=C(N[C@H]1CCOC2(CCN(Cc3ccccc3F)CC2)C1)C1CC1 ZINC000108533658 473037934 /nfs/dbraw/zinc/03/79/34/473037934.db2.gz VEDYKHWZQXXSHQ-KRWDZBQOSA-N 0 3 346.446 2.866 40 0 EFABHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CCCOC1 ZINC000110638938 473167326 /nfs/dbraw/zinc/16/73/26/473167326.db2.gz ZWFPFPABFVXBPP-OALUTQOASA-N 0 3 345.487 2.719 40 0 EFABHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CCCOC1 ZINC000110638932 473167943 /nfs/dbraw/zinc/16/79/43/473167943.db2.gz ZWFPFPABFVXBPP-MOPGFXCFSA-N 0 3 345.487 2.719 40 0 EFABHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(Oc2ccccc2)o1 ZINC000110661873 473169555 /nfs/dbraw/zinc/16/95/55/473169555.db2.gz MVKUORFKUHHYEP-GOEBONIOSA-N 0 3 342.395 2.665 40 0 EFABHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccnc(F)c1 ZINC000110665325 473170194 /nfs/dbraw/zinc/17/01/94/473170194.db2.gz YCUIMVLIRQESNB-WMLDXEAASA-N 0 3 327.403 2.861 40 0 EFABHN Cc1noc(C)c1CNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000096416038 473395398 /nfs/dbraw/zinc/39/53/98/473395398.db2.gz XBVQWXRQDITNRT-UHFFFAOYSA-N 0 3 346.431 2.862 40 0 EFABHN Cn1cc([C@@H]2C[C@H]2C(=O)N(CCN2CCCC2)c2ccccc2)cn1 ZINC000096416795 473396076 /nfs/dbraw/zinc/39/60/76/473396076.db2.gz FBQPFBLCORLHIN-RBUKOAKNSA-N 0 3 338.455 2.653 40 0 EFABHN CN1CCC[C@@H](CNC(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000096426457 473404613 /nfs/dbraw/zinc/40/46/13/473404613.db2.gz QLUZGCJLVFMORQ-INIZCTEOSA-N 0 3 339.439 2.732 40 0 EFABHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ncncc1Cl ZINC000177656739 473411700 /nfs/dbraw/zinc/41/17/00/473411700.db2.gz ILMMFDIHKIDILD-OAHLLOKOSA-N 0 3 344.846 2.724 40 0 EFABHN Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCCN3C(C)C)CC2)nc1 ZINC000096437425 473416357 /nfs/dbraw/zinc/41/63/57/473416357.db2.gz RZNQCIMIGGOBHV-SFHVURJKSA-N 0 3 344.503 2.738 40 0 EFABHN CCN1CCN(CCC(=O)N[C@@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000096440999 473418365 /nfs/dbraw/zinc/41/83/65/473418365.db2.gz JKPIHUJFGLHJNI-INIZCTEOSA-N 0 3 335.467 2.647 40 0 EFABHN CCN1CCN(CCC(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000096440798 473418703 /nfs/dbraw/zinc/41/87/03/473418703.db2.gz FOSYGQLBEKXMCV-RBUKOAKNSA-N 0 3 347.478 2.606 40 0 EFABHN COc1ccccc1NC1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000096461296 473433219 /nfs/dbraw/zinc/43/32/19/473433219.db2.gz LHQWBJYHJRIGPA-UHFFFAOYSA-N 0 3 339.439 2.871 40 0 EFABHN O=C([C@@H]1CCCN(Cc2cnc3ccccn23)C1)N1CCCCCC1 ZINC000096468508 473436177 /nfs/dbraw/zinc/43/61/77/473436177.db2.gz OQFVNRCYCYWROJ-QGZVFWFLSA-N 0 3 340.471 2.949 40 0 EFABHN Cc1ccc([C@H](C)NCc2cnc(N3CCN(C)CC3)nc2)cc1F ZINC000096474700 473438707 /nfs/dbraw/zinc/43/87/07/473438707.db2.gz UJPUTRQXDLNFAW-HNNXBMFYSA-N 0 3 343.450 2.527 40 0 EFABHN CC[C@@H](N[C@H](C)c1ccc(-n2cnnn2)cc1)c1c(C)nn(C)c1C ZINC000096478764 473440813 /nfs/dbraw/zinc/44/08/13/473440813.db2.gz MRWPCYJNPIGPPW-SJKOYZFVSA-N 0 3 339.447 2.815 40 0 EFABHN C[C@@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc2c(c1)OCO2 ZINC000096479369 473441085 /nfs/dbraw/zinc/44/10/85/473441085.db2.gz LCBHFTPLFRMVNO-CZUORRHYSA-N 0 3 330.428 2.857 40 0 EFABHN C[C@@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000096481290 473441395 /nfs/dbraw/zinc/44/13/95/473441395.db2.gz CQPUWCKSAKXXDN-CCKFTAQKSA-N 0 3 342.414 2.684 40 0 EFABHN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCCc1cccc2cccnc21 ZINC000096491563 473447700 /nfs/dbraw/zinc/44/77/00/473447700.db2.gz PBJLHORNCRPZAF-IRXDYDNUSA-N 0 3 332.469 2.723 40 0 EFABHN CC(C)[C@H](NCCC(=O)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000096492297 473448048 /nfs/dbraw/zinc/44/80/48/473448048.db2.gz VJBAAVNQCQZCAI-KRWDZBQOSA-N 0 3 326.387 2.500 40 0 EFABHN C[C@H]1CN(C(=O)c2ccnc(OCCN(C)C)c2)c2ccccc21 ZINC000096500620 473452914 /nfs/dbraw/zinc/45/29/14/473452914.db2.gz HJFJTWZFDHZZSM-AWEZNQCLSA-N 0 3 325.412 2.786 40 0 EFABHN O=C(C[C@H]1CNCCO1)Nc1cccc(COc2cccc(F)c2)c1 ZINC000152022078 473517292 /nfs/dbraw/zinc/51/72/92/473517292.db2.gz GRQPFWOGASVROY-SFHVURJKSA-N 0 3 344.386 2.722 40 0 EFABHN CCNC(=O)N1CC[C@@H](N[C@H](C)c2cc(Br)cs2)C1 ZINC000194113452 473843567 /nfs/dbraw/zinc/84/35/67/473843567.db2.gz GWLYRCVVHRXJPS-MWLCHTKSSA-N 0 3 346.294 2.965 40 0 EFABHN CC[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](NCc3ccccc3)C2)CCO1 ZINC000195556374 474094094 /nfs/dbraw/zinc/09/40/94/474094094.db2.gz FYBWMCVRSYFLOX-IPMKNSEASA-N 0 3 330.472 2.972 40 0 EFABHN CCc1nc2n(n1)CCC[C@H]2NC1CCN(C(=O)OCC(C)C)CC1 ZINC000195551363 474094911 /nfs/dbraw/zinc/09/49/11/474094911.db2.gz WALCMFACALWSTD-OAHLLOKOSA-N 0 3 349.479 2.522 40 0 EFABHN Cc1ncsc1CN[C@@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000195566492 474097406 /nfs/dbraw/zinc/09/74/06/474097406.db2.gz AIWWQNFBOJYMFV-NSHDSACASA-N 0 3 329.425 2.616 40 0 EFABHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC(F)(F)F ZINC000195564822 474097441 /nfs/dbraw/zinc/09/74/41/474097441.db2.gz NMDYBXOFIGTFMM-JSGCOSHPSA-N 0 3 329.366 2.759 40 0 EFABHN CCN1CCN(C[C@H](C)CNc2ccc(Br)cn2)CC1 ZINC000195575060 474100491 /nfs/dbraw/zinc/10/04/91/474100491.db2.gz JWNVZKYPFHZEFG-CYBMUJFWSA-N 0 3 341.297 2.530 40 0 EFABHN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)s1 ZINC000223253252 474182275 /nfs/dbraw/zinc/18/22/75/474182275.db2.gz QFTWNQWPNFVBNJ-JKSUJKDBSA-N 0 3 346.525 2.986 40 0 EFABHN COCC[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000225468142 474214485 /nfs/dbraw/zinc/21/44/85/474214485.db2.gz WTUVWZFRZWPYCB-CJNGLKHVSA-N 0 3 345.892 2.832 40 0 EFABHN COC(=O)CC1(NCc2ccc3nc(C)ccc3c2)CCOCC1 ZINC000225464503 474215564 /nfs/dbraw/zinc/21/55/64/474215564.db2.gz FBDMBLQPGWZFIO-UHFFFAOYSA-N 0 3 328.412 2.745 40 0 EFABHN CNc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)ccn1 ZINC000225557635 474223726 /nfs/dbraw/zinc/22/37/26/474223726.db2.gz REFQJPXFJRVTDQ-UHFFFAOYSA-N 0 3 348.397 2.606 40 0 EFABHN Cc1cc(CN2CCC(CNC(=O)NC[C@H]3CCCO3)CC2)c(C)o1 ZINC000225553608 474224524 /nfs/dbraw/zinc/22/45/24/474224524.db2.gz KKVQQDKRBXBTGO-GOSISDBHSA-N 0 3 349.475 2.587 40 0 EFABHN C[C@@H](C1CC1)n1cc(NC(=O)N2CCC(N3CC=CC3)CC2)cn1 ZINC000188886258 474224533 /nfs/dbraw/zinc/22/45/33/474224533.db2.gz QDIKAWMJFVIPIN-AWEZNQCLSA-N 0 3 329.448 2.722 40 0 EFABHN CC[C@H](NC[C@@]1(O)CCOC1)c1cc(F)cc(Br)c1 ZINC000225549745 474224657 /nfs/dbraw/zinc/22/46/57/474224657.db2.gz YOFMMBOGDCXWQS-KBPBESRZSA-N 0 3 332.213 2.780 40 0 EFABHN CN1CCN(CCC(C)(C)Nc2ccc(C(F)(F)F)cn2)CC1 ZINC000225591961 474227400 /nfs/dbraw/zinc/22/74/00/474227400.db2.gz SOWDWTAUEKRBON-UHFFFAOYSA-N 0 3 330.398 2.928 40 0 EFABHN C[C@H](Cc1ccc(Br)cc1)NC[C@H]1CCCS1(=O)=O ZINC000225631490 474230292 /nfs/dbraw/zinc/23/02/92/474230292.db2.gz WSPXGECMPKPNEP-BXUZGUMPSA-N 0 3 346.290 2.547 40 0 EFABHN Cc1ccc(NC(=S)NC2CCN(C)CC2)cc1N1CCCC1=O ZINC000225800474 474238198 /nfs/dbraw/zinc/23/81/98/474238198.db2.gz DCQVEMOAZLDSGW-UHFFFAOYSA-N 0 3 346.500 2.502 40 0 EFABHN CCN1CCN(c2ccc(NC(=O)c3ccccc3C)cc2N)CC1 ZINC000226265282 474240194 /nfs/dbraw/zinc/24/01/94/474240194.db2.gz SCZDUEFLSHRZPM-UHFFFAOYSA-N 0 3 338.455 2.971 40 0 EFABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2cccc(C)c2)CC1 ZINC000226258509 474240472 /nfs/dbraw/zinc/24/04/72/474240472.db2.gz VNVRUDIVDWAPAN-UHFFFAOYSA-N 0 3 338.455 2.971 40 0 EFABHN CCN1CCN(c2ccc(NC(=O)c3ccccc3F)cc2N)CC1 ZINC000226263274 474240592 /nfs/dbraw/zinc/24/05/92/474240592.db2.gz MUFGTYKJWDHBOO-UHFFFAOYSA-N 0 3 342.418 2.802 40 0 EFABHN O=C1[C@@H](N[C@H]2CCOC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000183031730 474309997 /nfs/dbraw/zinc/30/99/97/474309997.db2.gz UQGSGIOJEHATAO-GJZGRUSLSA-N 0 3 342.361 2.575 40 0 EFABHN Cc1cccc([C@H](C)NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1C ZINC000245339512 474574473 /nfs/dbraw/zinc/57/44/73/474574473.db2.gz UDFMVZKKXAOYAG-ULQDDVLXSA-N 0 3 331.460 2.527 40 0 EFABHN C[C@H](NC(=O)c1ccc(OC2CCOCC2)cc1)C1=CCN(C)CC1 ZINC000272996423 474662132 /nfs/dbraw/zinc/66/21/32/474662132.db2.gz QRYKBHSRFDPKCB-HNNXBMFYSA-N 0 3 344.455 2.625 40 0 EFABHN COC(=O)C1=NOC2(C1)CCN(CCSC1CCCCC1)CC2 ZINC000252508396 474685511 /nfs/dbraw/zinc/68/55/11/474685511.db2.gz XMSKSGXJEGZSGU-UHFFFAOYSA-N 0 3 340.489 2.836 40 0 EFABHN COc1ccccc1NC(=O)CN1CCN(C[C@@H](C)CC(C)C)CC1 ZINC000252508436 474687154 /nfs/dbraw/zinc/68/71/54/474687154.db2.gz XNITWOOFVSSPQA-KRWDZBQOSA-N 0 3 347.503 2.934 40 0 EFABHN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ccc(CCO)cc1 ZINC000252584918 474698264 /nfs/dbraw/zinc/69/82/64/474698264.db2.gz DTYQXVLCKIQUCK-OXQOHEQNSA-N 0 3 325.456 2.939 40 0 EFABHN Cn1ccc(CNC[C@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000253415594 474741409 /nfs/dbraw/zinc/74/14/09/474741409.db2.gz GQXXLQCJRDVKAQ-CYBMUJFWSA-N 0 3 349.276 2.799 40 0 EFABHN Cc1ccc(F)cc1CN(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000253426303 474751041 /nfs/dbraw/zinc/75/10/41/474751041.db2.gz SNWILUZRBZAYBL-CYBMUJFWSA-N 0 3 336.432 2.975 40 0 EFABHN CCc1ccc(CN2CCC3(CC2)CN(C)Cc2nnc(C)n23)cc1 ZINC000306125417 474807038 /nfs/dbraw/zinc/80/70/38/474807038.db2.gz CPVPAPHOSALYEN-UHFFFAOYSA-N 0 3 339.487 2.586 40 0 EFABHN Cn1cc(CN2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306132751 474809044 /nfs/dbraw/zinc/80/90/44/474809044.db2.gz LQZGHNKFJDDYIA-ROUUACIJSA-N 0 3 333.439 2.588 40 0 EFABHN CC(C)N1CCC[C@@H]1c1cncc(N2CC3(CCOCC3)OC2=O)n1 ZINC000257269924 474927951 /nfs/dbraw/zinc/92/79/51/474927951.db2.gz MRZIUOULQPZQQY-OAHLLOKOSA-N 0 3 346.431 2.528 40 0 EFABHN CN(Cc1cccc(OCCO)c1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257292243 474936610 /nfs/dbraw/zinc/93/66/10/474936610.db2.gz QKQMIPVXDGFPOO-GOSISDBHSA-N 0 3 341.455 2.554 40 0 EFABHN Cc1c[nH]c(-c2cc(C[C@@H]3CCN(Cc4ccccn4)C3)ncn2)n1 ZINC000257299099 474940201 /nfs/dbraw/zinc/94/02/01/474940201.db2.gz ROSAWMIGMQNNMH-HNNXBMFYSA-N 0 3 334.427 2.635 40 0 EFABHN Cc1cc(N)cc([C@@H]2CN(c3ccc(C(F)(F)F)cn3)CCO2)n1 ZINC000257301511 474940421 /nfs/dbraw/zinc/94/04/21/474940421.db2.gz RYUGOKIHRXMJCZ-AWEZNQCLSA-N 0 3 338.333 2.964 40 0 EFABHN Cc1ncsc1-c1ccc(C(=O)NCCN2CCCCC2)cn1 ZINC000257298946 474940968 /nfs/dbraw/zinc/94/09/68/474940968.db2.gz ROACYMVRMGMEFG-UHFFFAOYSA-N 0 3 330.457 2.729 40 0 EFABHN COCCN1CCC[C@@H](c2cncc(-c3cnn(C(C)C)c3)n2)C1 ZINC000257310987 474948116 /nfs/dbraw/zinc/94/81/16/474948116.db2.gz UHKWEJWPIVDZAV-OAHLLOKOSA-N 0 3 329.448 2.747 40 0 EFABHN COc1ccc2ccccc2c1CN1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257317281 474950061 /nfs/dbraw/zinc/95/00/61/474950061.db2.gz VJCNYPYFYNRCTL-PMACEKPBSA-N 0 3 327.424 2.964 40 0 EFABHN Cn1cncc1-c1nccnc1CC1CCN(Cc2cccnc2)CC1 ZINC000257320722 474950581 /nfs/dbraw/zinc/95/05/81/474950581.db2.gz VYGQXOJLUKDIEQ-UHFFFAOYSA-N 0 3 348.454 2.727 40 0 EFABHN Cc1cc(C(=O)N2CCC[C@H]2c2cccc(CN3CCCC3)n2)no1 ZINC000257319245 474951251 /nfs/dbraw/zinc/95/12/51/474951251.db2.gz VRMFXOWNAODORS-SFHVURJKSA-N 0 3 340.427 2.951 40 0 EFABHN CNC(=O)c1sc2nccnc2c1[C@@H]1CCN(C2CCCC2)C1 ZINC000257332632 474958936 /nfs/dbraw/zinc/95/89/36/474958936.db2.gz XYBSVWBVGAISAM-LLVKDONJSA-N 0 3 330.457 2.783 40 0 EFABHN CC(=O)N1[C@H]2CCN(Cc3ccccc3Cl)C[C@@H]2C[C@]1(C)CO ZINC000257332564 474960257 /nfs/dbraw/zinc/96/02/57/474960257.db2.gz XXWIPUVNWJGWAV-RYQLBKOJSA-N 0 3 336.863 2.534 40 0 EFABHN Nc1nccnc1C[C@@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000257337581 474962016 /nfs/dbraw/zinc/96/20/16/474962016.db2.gz YTKALKUFNZTCAJ-HNNXBMFYSA-N 0 3 348.454 2.904 40 0 EFABHN Cn1nccc1CN1CCN(C)C[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000257336994 474962082 /nfs/dbraw/zinc/96/20/82/474962082.db2.gz YQXQDBJRSJURSU-GOSISDBHSA-N 0 3 349.482 2.575 40 0 EFABHN CN(c1ncnc2[nH]ccc21)C1CCN(CCC(F)(F)F)CC1 ZINC000450948153 477771189 /nfs/dbraw/zinc/77/11/89/477771189.db2.gz DSDUEHJIBCCGAA-UHFFFAOYSA-N 0 3 327.354 2.811 40 0 EFABHN CC(C)CCN1CCC[C@@]2(CC(C(=O)NC3CC(F)(F)C3)=NO2)C1 ZINC000585101090 479283297 /nfs/dbraw/zinc/28/32/97/479283297.db2.gz CKGYLJBRQMQRGX-MRXNPFEDSA-N 0 3 343.418 2.557 40 0 EFABHN c1ccc(CO[C@H]2CSC3(CN(CC4CCOCC4)C3)C2)nc1 ZINC000585103338 479284628 /nfs/dbraw/zinc/28/46/28/479284628.db2.gz ARAJYVOYQJZFFN-QGZVFWFLSA-N 0 3 334.485 2.585 40 0 EFABHN FC(F)(F)Cc1cnc([N-]c2cncc(C3CC[NH2+]CC3)n2)s1 ZINC000585263365 479303391 /nfs/dbraw/zinc/30/33/91/479303391.db2.gz XEZOJBXSFKLFRT-UHFFFAOYSA-N 0 3 343.378 3.249 40 0 EFABHN c1nc([N-]c2cncc(C[C@@H]3CC[NH2+]C3)n2)sc1-c1ccccc1 ZINC000585262937 479303977 /nfs/dbraw/zinc/30/39/77/479303977.db2.gz FFUGZDKVLJHQRL-ZDUSSCGKSA-N 0 3 337.452 3.496 40 0 EFABHN Cc1n[nH]cc1CNC[C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O ZINC000585285436 479309069 /nfs/dbraw/zinc/30/90/69/479309069.db2.gz CWMLGGJSGGURCA-ATZDWAIDSA-N 0 3 329.444 2.725 40 0 EFABHN CO[C@H]1CN(C(=O)/C=C/CN(C)C)CC[C@@H]1Cc1cccc(C)c1 ZINC000585290501 479310628 /nfs/dbraw/zinc/31/06/28/479310628.db2.gz XHTDKUOOYQIIQM-APTSRADASA-N 0 3 330.472 2.519 40 0 EFABHN CC(C)c1ccc2ncnc(N3C[C@@H](C)N(CCO)[C@@H](C)C3)c2c1 ZINC000663970813 482428965 /nfs/dbraw/zinc/42/89/65/482428965.db2.gz IZEMRBFNXBPRKK-GASCZTMLSA-N 0 3 328.460 2.645 40 0 EFABHN COC(=O)N1CCC([C@@H](C)NCc2ccc(Br)o2)CC1 ZINC000191617108 533951411 /nfs/dbraw/zinc/95/14/11/533951411.db2.gz JWFRDXOCRJKUDI-SNVBAGLBSA-N 0 3 345.237 2.999 40 0 EFABHN COC(=O)c1ccccc1CCN1CCSC2(CCOCC2)C1 ZINC000187566435 534289562 /nfs/dbraw/zinc/28/95/62/534289562.db2.gz LRSBAKFKROXPNG-UHFFFAOYSA-N 0 3 335.469 2.614 40 0 EFABHN Cc1ccc2c(c1)OCCC[C@H]2NC[C@@H](c1cnn(C)c1)N(C)C ZINC000095422631 518190081 /nfs/dbraw/zinc/19/00/81/518190081.db2.gz LKGFPLKSJHXDAJ-MSOLQXFVSA-N 0 3 328.460 2.835 40 0 EFABHN CC(C)(N)C(=O)N1CCC[C@H]1c1cncc(Oc2ccccc2F)n1 ZINC000257208604 535194135 /nfs/dbraw/zinc/19/41/35/535194135.db2.gz BMVQJXMORPHBQT-AWEZNQCLSA-N 0 3 344.390 2.809 40 0 EFABHN CN(C)CCN(C)c1nc(Cl)nc(Nc2cccc(Cl)c2)n1 ZINC000199799983 535855913 /nfs/dbraw/zinc/85/59/13/535855913.db2.gz AFURMPVKCIAPIU-UHFFFAOYSA-N 0 3 341.246 2.920 40 0 EFABHN O=C1CC[C@H]2CN(Cc3cnc4ccccc4n3)CC[C@H]2N1C1CC1 ZINC000585094320 546371090 /nfs/dbraw/zinc/37/10/90/546371090.db2.gz JIPFRGBLAHOYJW-IFXJQAMLSA-N 0 3 336.439 2.605 40 0 EFABHN COc1cc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1C ZINC000225578497 568423041 /nfs/dbraw/zinc/42/30/41/568423041.db2.gz IXEWCHAHPDHMER-AWEZNQCLSA-N 0 3 348.468 2.844 40 0 EFABHN COc1cc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1C ZINC000225578467 568423056 /nfs/dbraw/zinc/42/30/56/568423056.db2.gz IXEWCHAHPDHMER-CQSZACIVSA-N 0 3 348.468 2.844 40 0 EFABHN