smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000218712637 211761756 /nfs/dbraw/zinc/76/17/56/211761756.db2.gz QNLBYIGJIFEFDC-DLBZAZTESA-N 0 0 375.896 4.616 40 70 GJIBRN COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC ZINC000218665806 211761225 /nfs/dbraw/zinc/76/12/25/211761225.db2.gz GVIMJNNBMMMPTH-KRWDZBQOSA-N 0 0 399.531 4.518 40 70 GJIBRN CC(C)Oc1ccc(CCCNC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000217835385 211752555 /nfs/dbraw/zinc/75/25/55/211752555.db2.gz QLDCAEFBTRNPOM-UHFFFAOYSA-N 0 0 396.314 4.908 40 70 GJIBRN COc1cccc(N2CCO[C@@H]2c2ccn(-c3ccc(Br)cc3)c2)c1 ZINC000216724440 570304885 /nfs/dbraw/zinc/30/48/85/570304885.db2.gz GKRIOHZUTHXKQH-HXUWFJFHSA-N 0 0 399.288 4.784 40 70 GJIBRN Cc1ccc(-c2noc(CNC(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1 ZINC000217908919 570322403 /nfs/dbraw/zinc/32/24/03/570322403.db2.gz UDMNHWWAYMOTOG-VQHVLOKHSA-N 0 0 388.254 4.681 40 70 GJIBRN CC[C@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000217983459 570323426 /nfs/dbraw/zinc/32/34/26/570323426.db2.gz LSEMKQBCRHTOTJ-INIZCTEOSA-N 0 0 379.909 4.717 40 70 GJIBRN Cc1ccc(-c2noc(CN(C)C(=O)/C(=C/c3ccco3)c3ccccc3)n2)cc1 ZINC000218107756 570325276 /nfs/dbraw/zinc/32/52/76/570325276.db2.gz VHUVGPCIAQUKEU-RCCKNPSSSA-N 0 0 399.450 4.837 40 70 GJIBRN Cc1ccc(OCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000218153838 570326651 /nfs/dbraw/zinc/32/66/51/570326651.db2.gz ZQCBBQDZFXHPKY-UHFFFAOYSA-N 0 0 384.328 4.730 40 70 GJIBRN COc1ccc(/C=C/C(=O)Nc2ccc(OC3CCCC3)cc2)c(OC)c1OC ZINC000218186479 570327157 /nfs/dbraw/zinc/32/71/57/570327157.db2.gz MHKQMOROSHTRLU-OQLLNIDSSA-N 0 0 397.471 4.686 40 70 GJIBRN COc1ccc(OC[C@@H](C)NC(=O)c2cc3c(ccc4ccccc34)o2)cc1 ZINC000218496982 570335450 /nfs/dbraw/zinc/33/54/50/570335450.db2.gz HFUCZWGOWQIXRK-OAHLLOKOSA-N 0 0 375.424 4.792 40 70 GJIBRN Cc1ccc(-c2noc(CNC(=O)c3cc4c(ccc5ccccc45)o3)n2)cc1 ZINC000218500935 570335539 /nfs/dbraw/zinc/33/55/39/570335539.db2.gz MHRLLFDXKVFGCS-UHFFFAOYSA-N 0 0 383.407 4.874 40 70 GJIBRN CC(C)(C)c1ccc(CCC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000218542961 570336601 /nfs/dbraw/zinc/33/66/01/570336601.db2.gz QVGRHHQZSBUMDL-UHFFFAOYSA-N 0 0 397.906 4.937 40 70 GJIBRN CCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000218665466 570338516 /nfs/dbraw/zinc/33/85/16/570338516.db2.gz GUNLUAJNKUZYDS-SFHVURJKSA-N 0 0 383.532 4.899 40 70 GJIBRN CC(C)Oc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 ZINC000218674850 570338998 /nfs/dbraw/zinc/33/89/98/570338998.db2.gz BNUJTANZJFCPSX-MRXNPFEDSA-N 0 0 375.896 4.644 40 70 GJIBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000218758229 211762978 /nfs/dbraw/zinc/76/29/78/211762978.db2.gz AIQDDEHBYJLHIW-PMACEKPBSA-N 0 0 383.488 4.580 40 70 GJIBRN C[C@]12C[C@@H]3C[C@](Nc4nc(N5CCOCC5)nc5ccccc54)(C1)C[C@@](C)(C3)C2 ZINC000217952866 136203523 /nfs/dbraw/zinc/20/35/23/136203523.db2.gz NEQKRQNJWVQPQG-XSAWPFNUSA-N 0 0 392.547 4.627 40 70 GJIBRN Fc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(Br)c3)c2)cc1 ZINC000216732379 570305146 /nfs/dbraw/zinc/30/51/46/570305146.db2.gz IAAGXOKXGACVDS-IBGZPJMESA-N 0 0 387.252 4.914 40 70 GJIBRN COc1ccc2c(c1)[C@H](NC(=O)CSc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000217982708 570322975 /nfs/dbraw/zinc/32/29/75/570322975.db2.gz DOUHWOCLYUWSBO-QGZVFWFLSA-N 0 0 391.920 4.859 40 70 GJIBRN CCOc1ccc(CNC(=O)CSCc2ccccc2Cl)cc1OCC ZINC000218027383 570324173 /nfs/dbraw/zinc/32/41/73/570324173.db2.gz IORZXSMHBATJFF-UHFFFAOYSA-N 0 0 393.936 4.687 40 70 GJIBRN COc1cccc(N2CCO[C@H]2c2ccn(-c3cccc(Br)c3)c2)c1 ZINC000216724256 205933702 /nfs/dbraw/zinc/93/37/02/205933702.db2.gz LSMSIGXFZFFCMZ-FQEVSTJZSA-N 0 0 399.288 4.784 40 70 GJIBRN Cc1ccc(-c2noc(CN(C)C(=O)CCCOc3ccc(Cl)cc3)n2)cc1 ZINC000218738755 205950435 /nfs/dbraw/zinc/95/04/35/205950435.db2.gz MVFLLRHDHJZSJX-UHFFFAOYSA-N 0 0 399.878 4.516 40 70 GJIBRN CN(Cc1nc(-c2cccs2)no1)C(=O)CCSc1ccc(Cl)cc1 ZINC000218092017 205942997 /nfs/dbraw/zinc/94/29/97/205942997.db2.gz UUUCPRXPRYGPDU-UHFFFAOYSA-N 0 0 393.921 4.592 40 70 GJIBRN CC[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(OC)c(OC)c1 ZINC000217837879 570322069 /nfs/dbraw/zinc/32/20/69/570322069.db2.gz VVWQCOXGWUGCFE-OAHLLOKOSA-N 0 0 398.286 4.657 40 70 GJIBRN CN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000217956269 570323161 /nfs/dbraw/zinc/32/31/61/570323161.db2.gz NCRXNDQUHQVTGQ-FMIVXFBMSA-N 0 0 381.501 4.767 40 70 GJIBRN CCOc1ccc(CNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OCC ZINC000217985692 570323450 /nfs/dbraw/zinc/32/34/50/570323450.db2.gz FVMYYGKIENIYPK-CQSZACIVSA-N 0 0 393.936 4.934 40 70 GJIBRN CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000218045030 570324371 /nfs/dbraw/zinc/32/43/71/570324371.db2.gz YJZOCFHTRMFJDP-QGZVFWFLSA-N 0 0 393.936 4.858 40 70 GJIBRN CC[C@H](NC(=O)c1ccccc1I)c1ccc(C)cc1C ZINC000218218420 570327957 /nfs/dbraw/zinc/32/79/57/570327957.db2.gz VDEFEBYBKWAKHG-KRWDZBQOSA-N 0 0 393.268 4.789 40 70 GJIBRN Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000218712727 570339638 /nfs/dbraw/zinc/33/96/38/570339638.db2.gz QNLBYIGJIFEFDC-SJORKVTESA-N 0 0 375.896 4.616 40 70 GJIBRN Cc1ccc(OC[C@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1 ZINC000218202978 205945882 /nfs/dbraw/zinc/94/58/82/205945882.db2.gz DOVZJRYTADHVMX-AWEZNQCLSA-N 0 0 381.900 4.604 40 70 GJIBRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCc2ccccc21 ZINC000217996711 136203572 /nfs/dbraw/zinc/20/35/72/136203572.db2.gz UGKVTUWHQUSPHJ-MRXNPFEDSA-N 0 0 388.964 4.780 40 70 GJIBRN COc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000217905405 570322449 /nfs/dbraw/zinc/32/24/49/570322449.db2.gz HEHGLRSRMBILSZ-CFDVYZKQSA-N 0 0 380.271 4.599 40 70 GJIBRN CC1(C)C[C@@H](NC(=O)CSCc2ccccc2Cl)c2ccccc2O1 ZINC000218029178 570324193 /nfs/dbraw/zinc/32/41/93/570324193.db2.gz XFUKBJIOALQORT-QGZVFWFLSA-N 0 0 375.921 4.992 40 70 GJIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)SCc1ccccc1 ZINC000218071169 570324676 /nfs/dbraw/zinc/32/46/76/570324676.db2.gz DVIDIYXXEFBNPZ-KXBFYZLASA-N 0 0 385.529 4.736 40 70 GJIBRN COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)SCc1ccccc1)CC(C)(C)O2 ZINC000218070911 570324775 /nfs/dbraw/zinc/32/47/75/570324775.db2.gz FPTYWTNMBUHPPL-HNAYVOBHSA-N 0 0 385.529 4.736 40 70 GJIBRN CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218166584 570326917 /nfs/dbraw/zinc/32/69/17/570326917.db2.gz MXFLVAHFJUWTHO-QFIPXVFZSA-N 0 0 393.508 4.638 40 70 GJIBRN CC[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000218738006 211762420 /nfs/dbraw/zinc/76/24/20/211762420.db2.gz ZTLCHNAEUPPUOG-GOSISDBHSA-N 0 0 391.895 4.784 40 70 GJIBRN COc1ccc2c(c1)[C@H](NC(=O)CCCOc1ccc(C)cc1)CC(C)(C)O2 ZINC000218731950 211760953 /nfs/dbraw/zinc/76/09/53/211760953.db2.gz NYWTWVMVRIEQLT-HXUWFJFHSA-N 0 0 383.488 4.581 40 70 GJIBRN COc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccccc1C)CC(C)(C)O2 ZINC000218017166 211754341 /nfs/dbraw/zinc/75/43/41/211754341.db2.gz DRGFDZJQPHCQGA-IBGZPJMESA-N 0 0 385.529 4.655 40 70 GJIBRN C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000217995099 211754352 /nfs/dbraw/zinc/75/43/52/211754352.db2.gz VJCMTYXLIMEMEJ-ZDUSSCGKSA-N 0 0 387.892 4.529 40 70 GJIBRN CCOc1ccc(CCCNC(=O)CSCc2ccccc2Cl)cc1 ZINC000218029359 205943978 /nfs/dbraw/zinc/94/39/78/205943978.db2.gz JSCZSNNOYHCQEG-UHFFFAOYSA-N 0 0 377.937 4.721 40 70 GJIBRN O=C1CS[C@@H](c2ccn(-c3ccc(C(F)(F)F)cc3)c2)N1Cc1ccco1 ZINC000216677335 570303956 /nfs/dbraw/zinc/30/39/56/570303956.db2.gz RVFZZUBADDWYPK-SFHVURJKSA-N 0 0 392.402 4.863 40 70 GJIBRN CCOc1ccc(-n2ccc([C@H]3SCC(=O)N3Cc3ccccc3)c2)cc1 ZINC000216674368 570303990 /nfs/dbraw/zinc/30/39/90/570303990.db2.gz HDZWFGNOTDOYFW-JOCHJYFZSA-N 0 0 378.497 4.650 40 70 GJIBRN COc1ccc(CCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1OC ZINC000217952387 570323106 /nfs/dbraw/zinc/32/31/06/570323106.db2.gz FAONWPHFTPQILH-RVDMUPIBSA-N 0 0 381.516 4.764 40 70 GJIBRN COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)SCc1ccccc1)CC(C)(C)O2 ZINC000218070764 570324661 /nfs/dbraw/zinc/32/46/61/570324661.db2.gz FPTYWTNMBUHPPL-DNVCBOLYSA-N 0 0 385.529 4.736 40 70 GJIBRN CN(Cc1nc(-c2ccccc2)no1)C(=O)CCSc1ccc(Cl)cc1 ZINC000218091314 570324936 /nfs/dbraw/zinc/32/49/36/570324936.db2.gz LRAKFSFDOCCINF-UHFFFAOYSA-N 0 0 387.892 4.531 40 70 GJIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Sc1ccc(C)cc1 ZINC000218141279 570326030 /nfs/dbraw/zinc/32/60/30/570326030.db2.gz RTSJEVQLSLBEFI-KXBFYZLASA-N 0 0 385.529 4.903 40 70 GJIBRN COc1ccc(CNC(=O)c2cc3c(ccc4ccccc34)o2)c(OC)c1OC ZINC000218495989 570335584 /nfs/dbraw/zinc/33/55/84/570335584.db2.gz ADNAGJZYQLTEHD-UHFFFAOYSA-N 0 0 391.423 4.542 40 70 GJIBRN COc1ccccc1N1CCO[C@@H]1c1ccn(-c2cccc(Br)c2)c1 ZINC000216721533 211744395 /nfs/dbraw/zinc/74/43/95/211744395.db2.gz DKHMCAZGUMJQPF-HXUWFJFHSA-N 0 0 399.288 4.784 40 70 GJIBRN CC[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000218045115 205944303 /nfs/dbraw/zinc/94/43/03/205944303.db2.gz YJZOCFHTRMFJDP-KRWDZBQOSA-N 0 0 393.936 4.858 40 70 GJIBRN CCOc1ccccc1-n1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)c1 ZINC000216675098 570303939 /nfs/dbraw/zinc/30/39/39/570303939.db2.gz MNSDKCHNFCSDFH-QFIPXVFZSA-N 0 0 378.497 4.650 40 70 GJIBRN Brc1ccc(-n2ccc([C@H]3OCCN3Cc3ccccc3)c2)cc1 ZINC000216735319 570305125 /nfs/dbraw/zinc/30/51/25/570305125.db2.gz ZBTKLIWLMFEJCP-HXUWFJFHSA-N 0 0 383.289 4.771 40 70 GJIBRN CCOc1ccc(CCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000217988792 570323389 /nfs/dbraw/zinc/32/33/89/570323389.db2.gz PFBNEJVFLANONA-OAHLLOKOSA-N 0 0 377.937 4.968 40 70 GJIBRN CC1(C)C[C@H](NC(=O)CSCc2cccc(Cl)c2)c2ccccc2O1 ZINC000218036260 570324363 /nfs/dbraw/zinc/32/43/63/570324363.db2.gz HIRXQWBHYFFPDB-KRWDZBQOSA-N 0 0 375.921 4.992 40 70 GJIBRN COc1ccc(CSCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 ZINC000218115295 570325604 /nfs/dbraw/zinc/32/56/04/570325604.db2.gz BVKFYLAVXAIYST-LJQANCHMSA-N 0 0 385.529 4.655 40 70 GJIBRN COc1ccc(CCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000218153557 570326496 /nfs/dbraw/zinc/32/64/96/570326496.db2.gz HQKYMTQMXIRMAU-UHFFFAOYSA-N 0 0 398.355 4.984 40 70 GJIBRN CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc(C)cc1C ZINC000218189011 570327491 /nfs/dbraw/zinc/32/74/91/570327491.db2.gz VJWICAJQJXPMJT-YFPIXMDGSA-N 0 0 383.488 4.610 40 70 GJIBRN Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)cc1 ZINC000218206642 570327884 /nfs/dbraw/zinc/32/78/84/570327884.db2.gz HIMJSJLKMPSHJH-UHFFFAOYSA-N 0 0 376.481 4.639 40 70 GJIBRN COc1ccc(CCCNC(=O)c2cc3c(ccc4ccccc34)o2)cc1OC ZINC000218498233 570335534 /nfs/dbraw/zinc/33/55/34/570335534.db2.gz PGJMRQQEKPEIDX-UHFFFAOYSA-N 0 0 389.451 4.966 40 70 GJIBRN Cc1cccc(-c2noc(CNC(=O)c3cc4c(ccc5ccccc45)o3)n2)c1 ZINC000218500834 570335558 /nfs/dbraw/zinc/33/55/58/570335558.db2.gz JJPRVTDIPHGFOL-UHFFFAOYSA-N 0 0 383.407 4.874 40 70 GJIBRN COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000218678315 570339054 /nfs/dbraw/zinc/33/90/54/570339054.db2.gz RXWPRCXVFYYGIX-SCLBCKFNSA-N 0 0 389.879 4.535 40 70 GJIBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000218756036 570340293 /nfs/dbraw/zinc/34/02/93/570340293.db2.gz DJTAYBAGSVSCGH-QFIPXVFZSA-N 0 0 389.451 4.722 40 70 GJIBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000218757960 570340748 /nfs/dbraw/zinc/34/07/48/570340748.db2.gz KCFPYOHZBQEPJA-UXHICEINSA-N 0 0 383.488 4.580 40 70 GJIBRN Fc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3Br)c2)cc1 ZINC000216733431 205933120 /nfs/dbraw/zinc/93/31/20/205933120.db2.gz PIDYTFHFHZRHAV-LJQANCHMSA-N 0 0 387.252 4.914 40 70 GJIBRN Fc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3Br)c2)cc1 ZINC000216733472 205933884 /nfs/dbraw/zinc/93/38/84/205933884.db2.gz PIDYTFHFHZRHAV-IBGZPJMESA-N 0 0 387.252 4.914 40 70 GJIBRN CCOc1ccc(CCCNC(=O)CSCc2cccc(Cl)c2)cc1 ZINC000218036366 205942967 /nfs/dbraw/zinc/94/29/67/205942967.db2.gz JQKMWMNGXQPNOL-UHFFFAOYSA-N 0 0 377.937 4.721 40 70 GJIBRN COc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000217905321 570322442 /nfs/dbraw/zinc/32/24/42/570322442.db2.gz HEHGLRSRMBILSZ-MQSIBISMSA-N 0 0 380.271 4.599 40 70 GJIBRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)/C=C/c1ccc(Cl)cc1 ZINC000217962757 570323136 /nfs/dbraw/zinc/32/31/36/570323136.db2.gz 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COc1cccc(N2CCO[C@@H]2c2ccn(-c3cccc(Br)c3)c2)c1 ZINC000216724208 570304899 /nfs/dbraw/zinc/30/48/99/570304899.db2.gz LSMSIGXFZFFCMZ-HXUWFJFHSA-N 0 0 399.288 4.784 40 70 GJIBRN CN(CCNC(=O)c1ccccc1SCc1ccccc1)c1ccccc1 ZINC000218606049 570337935 /nfs/dbraw/zinc/33/79/35/570337935.db2.gz BNXHYALNDXLNAB-UHFFFAOYSA-N 0 0 376.525 4.845 40 70 GJIBRN COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000218678100 570338975 /nfs/dbraw/zinc/33/89/75/570338975.db2.gz RXWPRCXVFYYGIX-ACJLOTCBSA-N 0 0 389.879 4.535 40 70 GJIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000218678539 570339083 /nfs/dbraw/zinc/33/90/83/570339083.db2.gz DRMNTLVOCJQLJN-UGSOOPFHSA-N 0 0 389.879 4.535 40 70 GJIBRN Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000218712934 570339673 /nfs/dbraw/zinc/33/96/73/570339673.db2.gz QPLBJCLWZAHSDN-IAGOWNOFSA-N 0 0 375.896 4.616 40 70 GJIBRN CCOc1ccc(CNC(=O)CSCc2cccc(Cl)c2)cc1OCC ZINC000218034429 208833941 /nfs/dbraw/zinc/83/39/41/208833941.db2.gz JKWCWTAAPAFNRU-UHFFFAOYSA-N 0 0 393.936 4.687 40 70 GJIBRN Cc1ccc(OC[C@@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1 ZINC000218202905 208835103 /nfs/dbraw/zinc/83/51/03/208835103.db2.gz DOVZJRYTADHVMX-CQSZACIVSA-N 0 0 381.900 4.604 40 70 GJIBRN CCCOc1ccccc1CCCNC(=O)COc1ccc(Cl)cc1Cl ZINC000217835875 570322010 /nfs/dbraw/zinc/32/20/10/570322010.db2.gz AUYBGOOTYZOLQD-UHFFFAOYSA-N 0 0 396.314 4.910 40 70 GJIBRN CC(C)Oc1cccc(CCCNC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000217835280 570322036 /nfs/dbraw/zinc/32/20/36/570322036.db2.gz DLXZLKJOTVNRLM-UHFFFAOYSA-N 0 0 396.314 4.908 40 70 GJIBRN CC1(C)C[C@@H](NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2O1 ZINC000217835589 570322127 /nfs/dbraw/zinc/32/21/27/570322127.db2.gz RBDYOBLPMBCWIN-OAHLLOKOSA-N 0 0 380.271 4.791 40 70 GJIBRN CC[C@H](NC(=O)CSCc1ccccc1Cl)c1ccc(OC)c(OC)c1 ZINC000218031815 570324132 /nfs/dbraw/zinc/32/41/32/570324132.db2.gz CAQYTRSDGRGKLL-KRWDZBQOSA-N 0 0 393.936 4.858 40 70 GJIBRN COc1ccc2c(c1)[C@H](NC(=O)CCSc1ccc(C)cc1)CC(C)(C)O2 ZINC000218149693 570326265 /nfs/dbraw/zinc/32/62/65/570326265.db2.gz AYXLUIHZNVJHSL-LJQANCHMSA-N 0 0 385.529 4.904 40 70 GJIBRN CC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218166507 570326880 /nfs/dbraw/zinc/32/68/80/570326880.db2.gz MXFLVAHFJUWTHO-JOCHJYFZSA-N 0 0 393.508 4.638 40 70 GJIBRN CC[C@@H](NC(=O)c1ccccc1I)c1ccc(C)cc1C ZINC000218218346 570328041 /nfs/dbraw/zinc/32/80/41/570328041.db2.gz VDEFEBYBKWAKHG-QGZVFWFLSA-N 0 0 393.268 4.789 40 70 GJIBRN CC(C)c1ccc(CCCNC(=O)CN2c3cccc4cccc(c34)C2=O)cc1 ZINC000218322013 570331292 /nfs/dbraw/zinc/33/12/92/570331292.db2.gz WCPDIISEVUGNOT-UHFFFAOYSA-N 0 0 386.495 4.672 40 70 GJIBRN CCOc1ccc(CCCNC(=O)CCCOc2ccc(Cl)cc2)cc1 ZINC000218736283 570339995 /nfs/dbraw/zinc/33/99/95/570339995.db2.gz ZLGBSJWPTVIUNI-UHFFFAOYSA-N 0 0 375.896 4.647 40 70 GJIBRN Cc1cccc(-c2noc(CNC(=O)/C=C/c3ccc(Cl)cc3Cl)n2)c1 ZINC000217908794 222582851 /nfs/dbraw/zinc/58/28/51/222582851.db2.gz RDLGTTZTSBTRAF-SOFGYWHQSA-N 0 0 388.254 4.681 40 70 GJIBRN Cc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000218543480 208837689 /nfs/dbraw/zinc/83/76/89/208837689.db2.gz VZMXZIPUOUTKAE-UHFFFAOYSA-N 0 0 391.515 4.934 40 70 GJIBRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C=C/c1ccc(Cl)cc1 ZINC000217962876 570323026 /nfs/dbraw/zinc/32/30/26/570323026.db2.gz YTLQFDPJPBBNPJ-NYYWCZLTSA-N 0 0 388.254 4.715 40 70 GJIBRN COc1cccc(-c2noc(CN(C)C(=O)c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000218166940 570326824 /nfs/dbraw/zinc/32/68/24/570326824.db2.gz ZKUYNPBBYGXRJG-UHFFFAOYSA-N 0 0 399.450 4.684 40 70 GJIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCOc1ccc(C)cc1 ZINC000218732110 570339613 /nfs/dbraw/zinc/33/96/13/570339613.db2.gz CRLXOGQYZORITL-HXUWFJFHSA-N 0 0 383.488 4.581 40 70 GJIBRN COc1ccc(OCCCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 ZINC000218741298 570340079 /nfs/dbraw/zinc/34/00/79/570340079.db2.gz AEFZVLPIVANZDL-FQEVSTJZSA-N 0 0 383.488 4.581 40 70 GJIBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000218755990 570340326 /nfs/dbraw/zinc/34/03/26/570340326.db2.gz DJTAYBAGSVSCGH-JOCHJYFZSA-N 0 0 389.451 4.722 40 70 GJIBRN O=C1CS[C@H](c2ccn(-c3cccc(C(F)(F)F)c3)c2)N1Cc1ccco1 ZINC000216676603 570304072 /nfs/dbraw/zinc/30/40/72/570304072.db2.gz LASYQISAIRGXHB-GOSISDBHSA-N 0 0 392.402 4.863 40 70 GJIBRN COc1cc(CNC(=O)/C(=C/c2ccco2)c2ccccc2)ccc1OC(C)C ZINC000218101766 570325373 /nfs/dbraw/zinc/32/53/73/570325373.db2.gz UJGBLLQRSLTUHA-RCCKNPSSSA-N 0 0 391.467 4.932 40 70 GJIBRN CC[C@H](NC(=O)c1ccc(I)cc1)c1ccc(C)c(C)c1 ZINC000218214738 570327891 /nfs/dbraw/zinc/32/78/91/570327891.db2.gz DUTSGTUWYDASSO-KRWDZBQOSA-N 0 0 393.268 4.789 40 70 GJIBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000218758002 570340691 /nfs/dbraw/zinc/34/06/91/570340691.db2.gz KCFPYOHZBQEPJA-VQTJNVASSA-N 0 0 383.488 4.580 40 70 GJIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc(C)cc1 ZINC000218023938 222584935 /nfs/dbraw/zinc/58/49/35/222584935.db2.gz ITODMMPJHAYASX-LJQANCHMSA-N 0 0 385.529 4.655 40 70 GJIBRN COc1ccc(OCCCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 ZINC000218741246 222589602 /nfs/dbraw/zinc/58/96/02/222589602.db2.gz AEFZVLPIVANZDL-HXUWFJFHSA-N 0 0 383.488 4.581 40 70 GJIBRN COC(=O)c1cn(C(=O)c2ccc(OCc3ccccc3)cc2)c2ccccc12 ZINC000216957597 206256337 /nfs/dbraw/zinc/25/63/37/206256337.db2.gz KRTXIFVVZNYSOP-UHFFFAOYSA-N 0 0 385.419 4.695 40 70 GJIBRN CCOc1ccc(CCCNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 ZINC000218103795 208833556 /nfs/dbraw/zinc/83/35/56/208833556.db2.gz ZURYQGPBUYQKDW-PTGBLXJZSA-N 0 0 375.468 4.968 40 70 GJIBRN CN(Cc1nc(-c2cccs2)no1)C(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000218108442 208833642 /nfs/dbraw/zinc/83/36/42/208833642.db2.gz AHBFTVJOQRCRIW-GHRIWEEISA-N 0 0 391.452 4.590 40 70 GJIBRN CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccn(-c2cccc(C(F)(F)F)c2)c1 ZINC000216713504 136203264 /nfs/dbraw/zinc/20/32/64/136203264.db2.gz MVBJHIIKLYUPPE-IBGZPJMESA-N 0 0 385.389 4.717 40 70 GJIBRN CC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(OC)c(OC)c1 ZINC000217837983 570322048 /nfs/dbraw/zinc/32/20/48/570322048.db2.gz VVWQCOXGWUGCFE-HNNXBMFYSA-N 0 0 398.286 4.657 40 70 GJIBRN CC1(C)C[C@H](NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2O1 ZINC000217835661 570322146 /nfs/dbraw/zinc/32/21/46/570322146.db2.gz RBDYOBLPMBCWIN-HNNXBMFYSA-N 0 0 380.271 4.791 40 70 GJIBRN CN(CCNC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1 ZINC000217998946 570323758 /nfs/dbraw/zinc/32/37/58/570323758.db2.gz XYIWTWKYRBXXSB-UHFFFAOYSA-N 0 0 376.525 4.845 40 70 GJIBRN CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OCC ZINC000218662331 570338632 /nfs/dbraw/zinc/33/86/32/570338632.db2.gz JJFBRODRSVBUTP-QGZVFWFLSA-N 0 0 399.531 4.865 40 70 GJIBRN CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000218712076 570339713 /nfs/dbraw/zinc/33/97/13/570339713.db2.gz ABXXQCJKDAMWGH-QGZVFWFLSA-N 0 0 389.923 4.872 40 70 GJIBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000218758189 570340644 /nfs/dbraw/zinc/34/06/44/570340644.db2.gz AIQDDEHBYJLHIW-VQTJNVASSA-N 0 0 383.488 4.580 40 70 GJIBRN COc1ccc(-c2noc(CNC(=O)c3cc4c(ccc5ccccc45)o3)n2)cc1 ZINC000218501124 570335442 /nfs/dbraw/zinc/33/54/42/570335442.db2.gz DKIJPXRGUXNHND-UHFFFAOYSA-N 0 0 399.406 4.575 40 70 GJIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(C)cc1 ZINC000218023855 222584745 /nfs/dbraw/zinc/58/47/45/222584745.db2.gz ITODMMPJHAYASX-IBGZPJMESA-N 0 0 385.529 4.655 40 70 GJIBRN CC(C)Oc1ccc(CCCNC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000217980994 208833702 /nfs/dbraw/zinc/83/37/02/208833702.db2.gz GFVOIQXQOGFQMI-UHFFFAOYSA-N 0 0 377.937 4.968 40 70 GJIBRN COc1ccc(OCCCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 ZINC000218741424 208838633 /nfs/dbraw/zinc/83/86/33/208838633.db2.gz SMRDNDJEZANLDB-FQEVSTJZSA-N 0 0 383.488 4.581 40 70 GJIBRN O=C(CSCc1cccc(Cl)c1)NCCCN1CCCc2ccccc21 ZINC000218040977 136203503 /nfs/dbraw/zinc/20/35/03/136203503.db2.gz KHAPGSHFTFCNDL-UHFFFAOYSA-N 0 0 388.964 4.532 40 70 GJIBRN CC(C)(C)c1ccc(/C=C/C(=O)NCCCN2CCCc3ccccc32)cc1 ZINC000217956694 136203529 /nfs/dbraw/zinc/20/35/29/136203529.db2.gz SLYFUSLHFMJZTD-DTQAZKPQSA-N 0 0 376.544 4.956 40 70 GJIBRN O=C1CS[C@H](c2ccn(-c3ccc(C(F)(F)F)cc3)c2)N1Cc1ccco1 ZINC000216677379 570304336 /nfs/dbraw/zinc/30/43/36/570304336.db2.gz RVFZZUBADDWYPK-GOSISDBHSA-N 0 0 392.402 4.863 40 70 GJIBRN Cc1cccc(-c2noc(CN(C)C(=O)/C(=C/c3ccco3)c3ccccc3)n2)c1 ZINC000218107652 570325412 /nfs/dbraw/zinc/32/54/12/570325412.db2.gz DKMOOBIPVVMECB-RCCKNPSSSA-N 0 0 399.450 4.837 40 70 GJIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCSc1ccc(C)cc1 ZINC000218149899 570326523 /nfs/dbraw/zinc/32/65/23/570326523.db2.gz AEGJHWKWQGNPEP-LJQANCHMSA-N 0 0 385.529 4.904 40 70 GJIBRN COc1cccc(CCCNC(=O)CSCc2c(Cl)cccc2Cl)c1 ZINC000218153475 570326659 /nfs/dbraw/zinc/32/66/59/570326659.db2.gz LVSJKNFUTRZXCI-UHFFFAOYSA-N 0 0 398.355 4.984 40 70 GJIBRN CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc(C)cc1C ZINC000218189101 570327478 /nfs/dbraw/zinc/32/74/78/570327478.db2.gz VJWICAJQJXPMJT-QHSLDKKCSA-N 0 0 383.488 4.610 40 70 GJIBRN Cc1ccccc1OC[C@H](C)NC(=O)CSCc1c(F)cccc1Cl ZINC000218202793 570327577 /nfs/dbraw/zinc/32/75/77/570327577.db2.gz VIZOKOFQFDVFPQ-AWEZNQCLSA-N 0 0 381.900 4.604 40 70 GJIBRN O=C(NCCSCc1ccccc1Cl)c1ccccc1Br ZINC000218219501 570327852 /nfs/dbraw/zinc/32/78/52/570327852.db2.gz BVZNTFQVMYEGQH-UHFFFAOYSA-N 0 0 384.726 4.766 40 70 GJIBRN CC[C@@H](NC(=O)c1ccccc1I)c1ccc(C)c(C)c1 ZINC000218218177 570327984 /nfs/dbraw/zinc/32/79/84/570327984.db2.gz MMGAPTMDRDVVLY-QGZVFWFLSA-N 0 0 393.268 4.789 40 70 GJIBRN CCCOc1ccccc1CCCNC(=O)c1ccccc1Br ZINC000218221241 570328283 /nfs/dbraw/zinc/32/82/83/570328283.db2.gz MNUBVOPGMACJCD-UHFFFAOYSA-N 0 0 376.294 4.601 40 70 GJIBRN CN(Cc1nc(-c2cccs2)no1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000218544073 570336511 /nfs/dbraw/zinc/33/65/11/570336511.db2.gz NQTLYYOCDGHHHF-UHFFFAOYSA-N 0 0 383.517 4.687 40 70 GJIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccccc1C ZINC000218017367 222584632 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/nfs/dbraw/zinc/33/89/29/570338929.db2.gz IXTSVCYZBQWGQF-INIZCTEOSA-N 0 0 375.896 4.645 40 70 GJIBRN O=C(CN1c2cccc3cccc(c23)C1=O)Nc1ccc(OC2CCCC2)cc1 ZINC000218317254 208836655 /nfs/dbraw/zinc/83/66/55/208836655.db2.gz PDLOCSWGIOPIIW-UHFFFAOYSA-N 0 0 386.451 4.760 40 70 GJIBRN CN1C(=O)c2ccccc2N(C)[C@H]1c1ccn(-c2ccccc2C(F)(F)F)c1 ZINC000216714229 136203098 /nfs/dbraw/zinc/20/30/98/136203098.db2.gz SPPFAZCZDOGTPP-LJQANCHMSA-N 0 0 385.389 4.717 40 70 GJIBRN COc1ccccc1N1CCO[C@H]1c1ccn(-c2ccc(Br)cc2)c1 ZINC000216721824 570304972 /nfs/dbraw/zinc/30/49/72/570304972.db2.gz ZPJPMXCQTBKKHQ-FQEVSTJZSA-N 0 0 399.288 4.784 40 70 GJIBRN Brc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccccc2)c1 ZINC000216736285 570305238 /nfs/dbraw/zinc/30/52/38/570305238.db2.gz VVTRTLDSIXJJKJ-HXUWFJFHSA-N 0 0 383.289 4.771 40 70 GJIBRN CN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000217909926 570322360 /nfs/dbraw/zinc/32/23/60/570322360.db2.gz AVIMBGBNABYZNG-FNORWQNLSA-N 0 0 394.283 4.777 40 70 GJIBRN CCOc1ccc(CCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000217988865 570323386 /nfs/dbraw/zinc/32/33/86/570323386.db2.gz PFBNEJVFLANONA-HNNXBMFYSA-N 0 0 377.937 4.968 40 70 GJIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccccc1C ZINC000218017448 570323801 /nfs/dbraw/zinc/32/38/01/570323801.db2.gz XVWWZKKAMBYREU-LJQANCHMSA-N 0 0 385.529 4.655 40 70 GJIBRN CN(Cc1nc(-c2ccccc2)no1)C(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000218107546 570325338 /nfs/dbraw/zinc/32/53/38/570325338.db2.gz NEGITYYSNAIQNF-HMMYKYKNSA-N 0 0 385.423 4.529 40 70 GJIBRN COc1ccccc1CCCNC(=O)CSCc1c(Cl)cccc1Cl ZINC000218153386 570326605 /nfs/dbraw/zinc/32/66/05/570326605.db2.gz GIOHZSPJKLEKDA-UHFFFAOYSA-N 0 0 398.355 4.984 40 70 GJIBRN COc1ccc(OC[C@H](C)NC(=O)c2cc3c(ccc4ccccc34)o2)cc1 ZINC000218497071 570335629 /nfs/dbraw/zinc/33/56/29/570335629.db2.gz HFUCZWGOWQIXRK-HNNXBMFYSA-N 0 0 375.424 4.792 40 70 GJIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000218678601 570339017 /nfs/dbraw/zinc/33/90/17/570339017.db2.gz DRMNTLVOCJQLJN-SCLBCKFNSA-N 0 0 389.879 4.535 40 70 GJIBRN Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000218713187 570339690 /nfs/dbraw/zinc/33/96/90/570339690.db2.gz QPLBJCLWZAHSDN-IRXDYDNUSA-N 0 0 375.896 4.616 40 70 GJIBRN