smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C2CCN([C@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)CC2)n1 ZINC000160964169 567842353 /nfs/dbraw/zinc/84/23/53/567842353.db2.gz LBGOQRAPHOHFQP-CQSZACIVSA-N 0 0 367.453 3.985 20 70 FHIDRN O=C(c1csc([C@@H]2CCCO2)n1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000160979400 567846089 /nfs/dbraw/zinc/84/60/89/567846089.db2.gz NKQBBWRBUGEFRJ-KRWDZBQOSA-N 0 0 356.447 3.630 20 70 FHIDRN CCc1nc(-c2ccccc2NC(=O)CSc2cccc(OC)c2)n[nH]1 ZINC000161056041 567853163 /nfs/dbraw/zinc/85/31/63/567853163.db2.gz ALSUJWYUJCYAGG-UHFFFAOYSA-N 0 0 368.462 3.774 20 70 FHIDRN Cc1cccc([C@@H](NC(=O)Nc2ccc(C)c(C(N)=O)c2)c2ccccn2)c1 ZINC000161023262 567855688 /nfs/dbraw/zinc/85/56/88/567855688.db2.gz NHZJPCOGUYGKLO-HXUWFJFHSA-N 0 0 374.444 3.708 20 70 FHIDRN CCc1nc(-c2ccccc2NC(=O)Cc2cc(F)c(F)cc2F)n[nH]1 ZINC000161083907 567863674 /nfs/dbraw/zinc/86/36/74/567863674.db2.gz KHCABXOXLZYYBT-UHFFFAOYSA-N 0 0 360.339 3.633 20 70 FHIDRN CCc1nc(-c2ccccc2NC(=O)[C@H](C)Sc2ccccn2)n[nH]1 ZINC000161100740 567866451 /nfs/dbraw/zinc/86/64/51/567866451.db2.gz OLJGCNVXGSNYBM-LBPRGKRZSA-N 0 0 353.451 3.548 20 70 FHIDRN CCc1nc(-c2ccccc2NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)n[nH]1 ZINC000161066591 567868254 /nfs/dbraw/zinc/86/82/54/567868254.db2.gz IILWQDHJTXIKFI-JKSUJKDBSA-N 0 0 362.433 3.785 20 70 FHIDRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)NCC1(CCOC)CC1 ZINC000161071289 567868865 /nfs/dbraw/zinc/86/88/65/567868865.db2.gz DFAZHLJZERFIBZ-SFHVURJKSA-N 0 0 370.497 3.719 20 70 FHIDRN COC(=O)c1csc(NC(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000161149306 567870558 /nfs/dbraw/zinc/87/05/58/567870558.db2.gz NIMCTNNEXYEOMF-ZWNOBZJWSA-N 0 0 366.464 3.590 20 70 FHIDRN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3cccc4ncccc43)cc2)n1 ZINC000161187045 567880776 /nfs/dbraw/zinc/88/07/76/567880776.db2.gz QPATVAZDZDHHJL-UHFFFAOYSA-N 0 0 356.385 3.546 20 70 FHIDRN Cc1ccn(-c2ccccc2NC(=O)c2cccc(CN3CCCC3=O)c2)n1 ZINC000161227122 567888557 /nfs/dbraw/zinc/88/85/57/567888557.db2.gz KLZOKROKQPJTDO-UHFFFAOYSA-N 0 0 374.444 3.555 20 70 FHIDRN COCc1ccc([C@H]2CCCN2C(=O)Cc2c(C)nn(CC(C)C)c2C)o1 ZINC000161195658 567890902 /nfs/dbraw/zinc/89/09/02/567890902.db2.gz VVAWFXOEXTWEKH-LJQANCHMSA-N 0 0 373.497 3.802 20 70 FHIDRN CCc1nc(-c2ccccc2NC(=O)c2cc(-c3ccccc3)on2)n[nH]1 ZINC000161310025 567903430 /nfs/dbraw/zinc/90/34/30/567903430.db2.gz UGFUQYLGVCOAIC-UHFFFAOYSA-N 0 0 359.389 3.941 20 70 FHIDRN Cn1cnnc1[C@@H]1CCCN1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000161353466 567915405 /nfs/dbraw/zinc/91/54/05/567915405.db2.gz DCODIADNEWRLNX-AWEZNQCLSA-N 0 0 361.421 3.554 20 70 FHIDRN Cc1ccc(-c2noc([C@H](C)Sc3ncnc4[nH]cnc43)n2)cc1F ZINC000161353350 567915436 /nfs/dbraw/zinc/91/54/36/567915436.db2.gz UNAJKUNRDFHOCB-VIFPVBQESA-N 0 0 356.386 3.704 20 70 FHIDRN Cc1noc(C)c1CC(=O)N1CCSc2ccc(C(F)(F)F)cc21 ZINC000161377111 567922703 /nfs/dbraw/zinc/92/27/03/567922703.db2.gz QHUPMEYLZRNZKK-UHFFFAOYSA-N 0 0 356.369 3.992 20 70 FHIDRN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000161404733 567925673 /nfs/dbraw/zinc/92/56/73/567925673.db2.gz OURCZQKXCFJEOY-LBPRGKRZSA-N 0 0 371.391 3.985 20 70 FHIDRN CCN(CC)C(=O)c1ccc(CNC(=O)[C@H]2C[C@@H]2c2sccc2C)cc1 ZINC000161418221 567928896 /nfs/dbraw/zinc/92/88/96/567928896.db2.gz XUKXFTMMJNLPDW-ROUUACIJSA-N 0 0 370.518 3.958 20 70 FHIDRN Cn1cnc(-c2cccc(NC(=O)N[C@@H](c3ccco3)c3ccccc3)c2)n1 ZINC000161502767 567945894 /nfs/dbraw/zinc/94/58/94/567945894.db2.gz UKKQGICXZSMIIR-LJQANCHMSA-N 0 0 373.416 3.986 20 70 FHIDRN O=C(CCc1cnn(-c2ccccc2)c1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000160860562 567823174 /nfs/dbraw/zinc/82/31/74/567823174.db2.gz PAFPMWZTMXNMKN-IBGZPJMESA-N 0 0 367.493 3.803 20 70 FHIDRN CCc1nc(-c2ccccc2NC(=O)c2cnc(-c3ccccc3)nc2)n[nH]1 ZINC000160886863 567827898 /nfs/dbraw/zinc/82/78/98/567827898.db2.gz JCSJKCSOKBZPNI-UHFFFAOYSA-N 0 0 370.416 3.743 20 70 FHIDRN CCOc1ncccc1CNC(=O)N(C)[C@H]1CCCc2nc(CC)sc21 ZINC000160966187 567842978 /nfs/dbraw/zinc/84/29/78/567842978.db2.gz GQMYLGDPBMWRIK-HNNXBMFYSA-N 0 0 374.510 3.718 20 70 FHIDRN Cc1c(NC(=O)[C@H]2CCn3ccnc3C2)cccc1C(=O)Nc1ccccc1 ZINC000161064052 567867802 /nfs/dbraw/zinc/86/78/02/567867802.db2.gz BEMRKNROFZCVGH-INIZCTEOSA-N 0 0 374.444 3.645 20 70 FHIDRN COc1cc(Cl)ccc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000161142814 567869736 /nfs/dbraw/zinc/86/97/36/567869736.db2.gz CIBLHAQWFJHXLU-UHFFFAOYSA-N 0 0 369.808 3.660 20 70 FHIDRN CCc1nc(-c2ccccc2NC(=O)Cc2ccc(OC(F)F)cc2)n[nH]1 ZINC000161173535 567878278 /nfs/dbraw/zinc/87/82/78/567878278.db2.gz JUMNZBQCYYUXFP-UHFFFAOYSA-N 0 0 372.375 3.817 20 70 FHIDRN Cc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[nH]3)cc2)c(C)n1C(C)C ZINC000161200866 567892195 /nfs/dbraw/zinc/89/21/95/567892195.db2.gz CQCICWYMXUQCSK-UHFFFAOYSA-N 0 0 364.449 3.997 20 70 FHIDRN CCC(=O)N1CCCN(C(=O)C[C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000161257487 567892574 /nfs/dbraw/zinc/89/25/74/567892574.db2.gz ZDPDFXRFPPSPGM-AWEZNQCLSA-N 0 0 370.415 3.670 20 70 FHIDRN O=C(c1cc(F)cc2nccnc21)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000161354685 567915544 /nfs/dbraw/zinc/91/55/44/567915544.db2.gz LFINSQNITRZKBI-ZDUSSCGKSA-N 0 0 371.799 3.716 20 70 FHIDRN Cc1onc(-c2ccccn2)c1C(=O)NCc1csc(-c2ccco2)n1 ZINC000161381379 567923487 /nfs/dbraw/zinc/92/34/87/567923487.db2.gz FQFSHOHTMKSAJZ-UHFFFAOYSA-N 0 0 366.402 3.692 20 70 FHIDRN O=C(c1ccc(CCC(F)(F)F)cc1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000161505046 567946230 /nfs/dbraw/zinc/94/62/30/567946230.db2.gz LJIJECLBCQAYSQ-HNNXBMFYSA-N 0 0 351.372 3.924 20 70 FHIDRN COc1ccc([C@@H](C)NC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000217268182 568172664 /nfs/dbraw/zinc/17/26/64/568172664.db2.gz VNUSJEZYTJVNGP-GFCCVEGCSA-N 0 0 360.410 3.604 20 70 FHIDRN CC(C)[C@H](Cc1ccccc1)C(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000159440492 568312383 /nfs/dbraw/zinc/31/23/83/568312383.db2.gz BUTZKQDAWFQQFU-SFHVURJKSA-N 0 0 360.479 3.512 20 70 FHIDRN CCc1nc(-c2ccccc2NC(=O)[C@@H](C)n2cnc3ccccc32)n[nH]1 ZINC000160894161 567828911 /nfs/dbraw/zinc/82/89/11/567828911.db2.gz INUWLTUAXPMKLQ-CYBMUJFWSA-N 0 0 360.421 3.584 20 70 FHIDRN O=C(C[C@H]1COC(=O)C1)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000160914614 567833780 /nfs/dbraw/zinc/83/37/80/567833780.db2.gz KWOVSDLJIOUZDD-DOMZBBRYSA-N 0 0 355.356 3.712 20 70 FHIDRN CN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160995504 567848910 /nfs/dbraw/zinc/84/89/10/567848910.db2.gz GHSRRBQLNCZMLN-UHFFFAOYSA-N 0 0 361.858 3.861 20 70 FHIDRN CCOc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2cccc(CO)c2)cc1 ZINC000161146400 567870227 /nfs/dbraw/zinc/87/02/27/567870227.db2.gz LWGRBICOKWQCLE-KKSFZXQISA-N 0 0 369.461 3.709 20 70 FHIDRN O=C(Nc1cnc(-c2ccccc2)nc1)N1CCC(C2CCOCC2)CC1 ZINC000161167403 567877384 /nfs/dbraw/zinc/87/73/84/567877384.db2.gz UEPJJDZGDOURCV-UHFFFAOYSA-N 0 0 366.465 3.814 20 70 FHIDRN CO[C@H](C)c1nc(C)c(C(=O)Nc2ccccc2-n2ccc(C)n2)s1 ZINC000161201931 567892224 /nfs/dbraw/zinc/89/22/24/567892224.db2.gz JSKVOXGMCGLKKV-CYBMUJFWSA-N 0 0 356.451 3.905 20 70 FHIDRN CCc1nc(-c2ccccc2NC(=O)[C@H]2C[C@H]2c2cccc(OC)c2)n[nH]1 ZINC000161283134 567896374 /nfs/dbraw/zinc/89/63/74/567896374.db2.gz FOYXIKQOQBYDCF-IRXDYDNUSA-N 0 0 362.433 3.785 20 70 FHIDRN CCOCCC1(CNC(=O)N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000161346734 567913580 /nfs/dbraw/zinc/91/35/80/567913580.db2.gz LNKFQLJQFGDZDR-LJQANCHMSA-N 0 0 353.466 3.677 20 70 FHIDRN COCc1ccc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc(F)c(F)c2)o1 ZINC000161494742 567945204 /nfs/dbraw/zinc/94/52/04/567945204.db2.gz FSQNLDCGORUGSJ-YVEFUNNKSA-N 0 0 365.376 3.835 20 70 FHIDRN Cc1c(C(=O)N2C[C@@H](C)CSc3ccccc32)cnn1-c1ccccn1 ZINC000159618564 206225605 /nfs/dbraw/zinc/22/56/05/206225605.db2.gz HUERYZYEMFOQEZ-CQSZACIVSA-N 0 0 364.474 3.964 20 70 FHIDRN Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(OC(C)C)nc2)n1 ZINC000160861220 567823127 /nfs/dbraw/zinc/82/31/27/567823127.db2.gz KYAZBTRXBTUBFT-SFHVURJKSA-N 0 0 354.454 3.619 20 70 FHIDRN CSc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[nH]3)cc2)ccc1F ZINC000160990454 567847934 /nfs/dbraw/zinc/84/79/34/567847934.db2.gz IAZQPNYEGLZVDH-UHFFFAOYSA-N 0 0 369.421 3.859 20 70 FHIDRN CCc1nc(-c2ccccc2NC(=O)c2cc(OC)c(OC)cc2C)n[nH]1 ZINC000160998608 567849306 /nfs/dbraw/zinc/84/93/06/567849306.db2.gz QODXKGDNALSKSJ-UHFFFAOYSA-N 0 0 366.421 3.612 20 70 FHIDRN C[C@@H]1CCC[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)C1 ZINC000161044731 567860153 /nfs/dbraw/zinc/86/01/53/567860153.db2.gz HMVPHAPXSIVRDE-UKRRQHHQSA-N 0 0 363.889 3.738 20 70 FHIDRN Cn1cnc2cc(C(=O)N3CC=C(c4ccccc4Cl)CC3)cnc21 ZINC000161069179 567868555 /nfs/dbraw/zinc/86/85/55/567868555.db2.gz JLKXOPFZCDZMAS-UHFFFAOYSA-N 0 0 352.825 3.551 20 70 FHIDRN COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161135212 567875625 /nfs/dbraw/zinc/87/56/25/567875625.db2.gz RRLWCKQVBMEMNZ-GFCCVEGCSA-N 0 0 369.400 3.513 20 70 FHIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000161151759 567881960 /nfs/dbraw/zinc/88/19/60/567881960.db2.gz BJARXQJAOKRKAU-FXAWDEMLSA-N 0 0 356.510 3.966 20 70 FHIDRN COCc1ccc([C@@H]2CCCN2C(=O)c2cnc(-c3ccccc3)nc2)o1 ZINC000161201758 567892283 /nfs/dbraw/zinc/89/22/83/567892283.db2.gz HPYATZVBAZGUJT-SFHVURJKSA-N 0 0 363.417 3.860 20 70 FHIDRN CCc1nc(-c2ccccc2NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)n[nH]1 ZINC000161283010 567896428 /nfs/dbraw/zinc/89/64/28/567896428.db2.gz FOYXIKQOQBYDCF-DLBZAZTESA-N 0 0 362.433 3.785 20 70 FHIDRN COc1cc(NC(=O)c2c(C)onc2-c2ccccn2)c(OC)cc1Cl ZINC000161301383 567901684 /nfs/dbraw/zinc/90/16/84/567901684.db2.gz YRCSUHUDBPLTHO-UHFFFAOYSA-N 0 0 373.796 3.968 20 70 FHIDRN COc1ccccc1[C@H]1CCCN1C(=O)c1cnn(C2CCOCC2)c1C ZINC000161333633 567910409 /nfs/dbraw/zinc/91/04/09/567910409.db2.gz OLSRSCVCCYUUFG-LJQANCHMSA-N 0 0 369.465 3.529 20 70 FHIDRN CCc1nc(-c2ccccc2NC(=O)c2sc([C@H](C)OC)nc2C)n[nH]1 ZINC000161333722 567910475 /nfs/dbraw/zinc/91/04/75/567910475.db2.gz SVGBOGMEEMWYTN-NSHDSACASA-N 0 0 371.466 3.759 20 70 FHIDRN CC[C@@H](CC(=O)NC[C@H]1CC(=O)Nc2ccccc21)c1ccc(OC)cc1 ZINC000161342327 567912576 /nfs/dbraw/zinc/91/25/76/567912576.db2.gz UJHUUPVHWYNZPS-DOTOQJQBSA-N 0 0 366.461 3.821 20 70 FHIDRN COCc1ccc([C@H]2CCCN2C(=O)c2cnc(-c3ccccn3)s2)o1 ZINC000161365794 567920038 /nfs/dbraw/zinc/92/00/38/567920038.db2.gz CPUHJCFOIIMGTI-OAHLLOKOSA-N 0 0 369.446 3.922 20 70 FHIDRN CC(C)COc1ccc(C(C)(C)CNC(=O)[C@@H]2CCn3ccnc3C2)cc1 ZINC000161474237 567939967 /nfs/dbraw/zinc/93/99/67/567939967.db2.gz QEAUZSOKYNKGGN-QGZVFWFLSA-N 0 0 369.509 3.574 20 70 FHIDRN O=C(c1ccnc(OCC(F)(F)F)c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000159435694 568308921 /nfs/dbraw/zinc/30/89/21/568308921.db2.gz UFZHZIHPLNGMAX-MRXNPFEDSA-N 0 0 364.367 3.870 20 70 FHIDRN C[C@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)c1cccc(F)c1F ZINC000160963212 567842213 /nfs/dbraw/zinc/84/22/13/567842213.db2.gz PFXFBGVCMHKOLA-NSHDSACASA-N 0 0 357.364 3.643 20 70 FHIDRN O=C(Nc1ccc(Br)cc1F)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160993254 567848656 /nfs/dbraw/zinc/84/86/56/567848656.db2.gz ONFOVVORSYCKAO-RISCZKNCSA-N 0 0 357.223 3.667 20 70 FHIDRN Cc1cccc(-c2cncc(C(=O)N[C@@H](C)c3nnc4ccccn43)c2)c1 ZINC000161031863 567857569 /nfs/dbraw/zinc/85/75/69/567857569.db2.gz DDMYTHCLEYSECI-HNNXBMFYSA-N 0 0 357.417 3.591 20 70 FHIDRN O=C(Nc1ccc(OCc2ccccc2F)cc1)[C@H]1CCn2ccnc2C1 ZINC000161041342 567859630 /nfs/dbraw/zinc/85/96/30/567859630.db2.gz YOWKKLUDWYMZGR-HNNXBMFYSA-N 0 0 365.408 3.802 20 70 FHIDRN C[C@H]1CCC[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)C1 ZINC000161044872 567860285 /nfs/dbraw/zinc/86/02/85/567860285.db2.gz HMVPHAPXSIVRDE-DZGCQCFKSA-N 0 0 363.889 3.738 20 70 FHIDRN CCc1nc(-c2ccccc2NC(=O)c2cc(F)c(F)c(F)c2F)n[nH]1 ZINC000161063675 567867746 /nfs/dbraw/zinc/86/77/46/567867746.db2.gz QWQOIXFKSSHIHD-UHFFFAOYSA-N 0 0 364.302 3.843 20 70 FHIDRN C[C@H](CNC(=O)[C@@H]1CCn2ccnc2C1)c1c(Cl)cccc1Cl ZINC000161141287 567869521 /nfs/dbraw/zinc/86/95/21/567869521.db2.gz YBXLXZCYVIDHGS-VXGBXAGGSA-N 0 0 352.265 3.672 20 70 FHIDRN COc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1N ZINC000161149991 567874318 /nfs/dbraw/zinc/87/43/18/567874318.db2.gz QOSDHGQYVAGKFR-UHFFFAOYSA-N 0 0 355.369 3.643 20 70 FHIDRN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)CCc3cc(F)ccc3F)cc2)n1 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ZINC000161506572 567946269 /nfs/dbraw/zinc/94/62/69/567946269.db2.gz QMYXGQFCFZRCDF-BMGDILEWSA-N 0 0 374.550 3.657 20 70 FHIDRN COc1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c(C)c1 ZINC000217738758 568201172 /nfs/dbraw/zinc/20/11/72/568201172.db2.gz SJTXNDLCRZALND-UHFFFAOYSA-N 0 0 355.409 3.878 20 70 FHIDRN Cc1onc(-c2ccncc2)c1C(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000160887257 567825474 /nfs/dbraw/zinc/82/54/74/567825474.db2.gz MWPDJGOMMWWFTA-UHFFFAOYSA-N 0 0 363.421 3.683 20 70 FHIDRN Cc1noc([C@H]2CCCN([C@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)C2)n1 ZINC000160963588 567842339 /nfs/dbraw/zinc/84/23/39/567842339.db2.gz YTTHFKMOQKBUSI-PBHICJAKSA-N 0 0 367.453 3.985 20 70 FHIDRN CCc1nc(-c2ccccc2NC(=O)CCSc2ccccn2)n[nH]1 ZINC000160979941 567846266 /nfs/dbraw/zinc/84/62/66/567846266.db2.gz DYXIRARLCYDSIU-UHFFFAOYSA-N 0 0 353.451 3.550 20 70 FHIDRN C[C@@H](CNC(=O)[C@H]1CCn2ccnc2C1)c1c(Cl)cccc1Cl ZINC000161141407 567869621 /nfs/dbraw/zinc/86/96/21/567869621.db2.gz YBXLXZCYVIDHGS-RYUDHWBXSA-N 0 0 352.265 3.672 20 70 FHIDRN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)cc2)n1 ZINC000161191381 567881439 /nfs/dbraw/zinc/88/14/39/567881439.db2.gz ZWAXCXASMZUFDI-QZTJIDSGSA-N 0 0 363.392 3.627 20 70 FHIDRN C[C@@]1(NC(=O)Nc2ccccc2N2CCc3sccc3C2)CCOC1 ZINC000161220722 567887192 /nfs/dbraw/zinc/88/71/92/567887192.db2.gz AFEVGHRTCKRJGL-LJQANCHMSA-N 0 0 357.479 3.611 20 70 FHIDRN O=S(=O)(Cc1c(F)cccc1F)N[C@@H](c1ccccc1)c1ccncc1 ZINC000161260444 567892850 /nfs/dbraw/zinc/89/28/50/567892850.db2.gz BNARQGBUBINTTI-IBGZPJMESA-N 0 0 374.412 3.569 20 70 FHIDRN CCc1nc(-c2ccccc2NC(=O)Cc2ccccc2OC(F)F)n[nH]1 ZINC000161304957 567902354 /nfs/dbraw/zinc/90/23/54/567902354.db2.gz STPBOOJESSIVHS-UHFFFAOYSA-N 0 0 372.375 3.817 20 70 FHIDRN Cc1nnc(-c2cccc(NC(=O)c3c(C)onc3-c3ccccn3)c2)o1 ZINC000161360566 567908834 /nfs/dbraw/zinc/90/88/34/567908834.db2.gz NTSNWIYJDCJZKA-UHFFFAOYSA-N 0 0 361.361 3.656 20 70 FHIDRN O=C(Nc1ccc2ncsc2c1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000161403432 567918726 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Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)o1 ZINC000161046492 567860579 /nfs/dbraw/zinc/86/05/79/567860579.db2.gz BACLOGKBRJVSML-WBAXXEDZSA-N 0 0 372.469 3.969 20 70 FHIDRN Cn1cnc(-c2ccc(NC(=O)N3CCc4c5ccccc5[nH]c4C3)cc2)n1 ZINC000161103525 567866884 /nfs/dbraw/zinc/86/68/84/567866884.db2.gz BDIRATCAKZEVNO-UHFFFAOYSA-N 0 0 372.432 3.554 20 70 FHIDRN C[C@@H](CNC(=O)[C@@H]1CCn2ccnc2C1)c1c(Cl)cccc1Cl ZINC000161141170 567869431 /nfs/dbraw/zinc/86/94/31/567869431.db2.gz YBXLXZCYVIDHGS-NWDGAFQWSA-N 0 0 352.265 3.672 20 70 FHIDRN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)cc2)n1 ZINC000161191721 567881480 /nfs/dbraw/zinc/88/14/80/567881480.db2.gz ZWAXCXASMZUFDI-ROUUACIJSA-N 0 0 363.392 3.627 20 70 FHIDRN Cc1cc(N2CCCC2)ccc1NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000161155057 567882615 /nfs/dbraw/zinc/88/26/15/567882615.db2.gz KCIIIFWYYFGMDM-QRQLOZEOSA-N 0 0 355.482 3.674 20 70 FHIDRN COc1ccccc1[C@@H]1CCCN1C(=O)c1cnn(C2CCOCC2)c1C ZINC000161333773 567910405 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Cc1ccc(CNC(=O)NCc2ccnn2C)c(O[C@@H](C)CC(C)C)c1 ZINC000160666486 568251780 /nfs/dbraw/zinc/25/17/80/568251780.db2.gz JMLUJOUKWXNATM-INIZCTEOSA-N 0 0 358.486 3.541 20 70 FHIDRN CCCCOCCCNC(=O)N(C)[C@H]1CCCc2nc(CC)sc21 ZINC000160666688 568290663 /nfs/dbraw/zinc/29/06/63/568290663.db2.gz GESZSSBMNKEWOZ-HNNXBMFYSA-N 0 0 353.532 3.931 20 70 FHIDRN CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000159440385 568312343 /nfs/dbraw/zinc/31/23/43/568312343.db2.gz BUTZKQDAWFQQFU-GOSISDBHSA-N 0 0 360.479 3.512 20 70 FHIDRN CC(C)n1ccnc1CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161167986 571278698 /nfs/dbraw/zinc/27/86/98/571278698.db2.gz OCNWBZIQWHWYSV-HZPDHXFCSA-N 0 0 353.388 3.791 20 70 FHIDRN COC(=O)c1csc(NC(=O)N2CCC(OCc3ccccc3)CC2)c1 ZINC000160849630 567820911 /nfs/dbraw/zinc/82/09/11/567820911.db2.gz MPGISTRKVQTBPC-UHFFFAOYSA-N 0 0 374.462 3.748 20 70 FHIDRN CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160880751 567826663 /nfs/dbraw/zinc/82/66/63/567826663.db2.gz CHOUMWYILNZPSP-UHFFFAOYSA-N 0 0 373.819 3.939 20 70 FHIDRN O=C(C[C@@H]1COC(=O)C1)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000160914827 567833849 /nfs/dbraw/zinc/83/38/49/567833849.db2.gz KWOVSDLJIOUZDD-WFASDCNBSA-N 0 0 355.356 3.712 20 70 FHIDRN Cc1cc(C(=O)N2CCOc3ncccc32)nc(-c2ccc(Cl)cc2)n1 ZINC000160929531 567843941 /nfs/dbraw/zinc/84/39/41/567843941.db2.gz MOULDNNOEMWJRB-UHFFFAOYSA-N 0 0 366.808 3.540 20 70 FHIDRN O=C(c1csc([C@H]2CCCO2)n1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000160979555 567846108 /nfs/dbraw/zinc/84/61/08/567846108.db2.gz NKQBBWRBUGEFRJ-QGZVFWFLSA-N 0 0 356.447 3.630 20 70 FHIDRN O=C(Nc1ccc(Br)cc1F)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160993500 567848600 /nfs/dbraw/zinc/84/86/00/567848600.db2.gz ONFOVVORSYCKAO-BXUZGUMPSA-N 0 0 357.223 3.667 20 70 FHIDRN CC(C)c1cc(C(=O)N2CC[C@H]3OCCC[C@H]3C2)nn1-c1ccccc1 ZINC000161016713 567848629 /nfs/dbraw/zinc/84/86/29/567848629.db2.gz XZFKLTRGEZDQKL-OXJNMPFZSA-N 0 0 353.466 3.637 20 70 FHIDRN CC(C)c1cc(C(=O)N2CC[C@H]3OCCC[C@@H]3C2)nn1-c1ccccc1 ZINC000161016487 567851962 /nfs/dbraw/zinc/85/19/62/567851962.db2.gz XZFKLTRGEZDQKL-OXQOHEQNSA-N 0 0 353.466 3.637 20 70 FHIDRN CC[C@@H](NC(=O)NCC1(CCOC)CC1)c1nc(-c2ccccc2)c[nH]1 ZINC000161075581 567862185 /nfs/dbraw/zinc/86/21/85/567862185.db2.gz NFUVWPURWNQQJM-MRXNPFEDSA-N 0 0 356.470 3.644 20 70 FHIDRN Cc1onc(-c2ccncc2)c1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000161205296 567883906 /nfs/dbraw/zinc/88/39/06/567883906.db2.gz PKCXIAPTOXLWRS-UHFFFAOYSA-N 0 0 362.389 3.646 20 70 FHIDRN O=C(NCc1cccc(-c2ccccn2)c1)c1csc([C@@H]2CCCO2)n1 ZINC000161197624 567891358 /nfs/dbraw/zinc/89/13/58/567891358.db2.gz JEVDBYREKRXMSI-SFHVURJKSA-N 0 0 365.458 3.987 20 70 FHIDRN O=S(=O)(Cc1c(F)cccc1F)N[C@H](c1ccccc1)c1ccncc1 ZINC000161260559 567892780 /nfs/dbraw/zinc/89/27/80/567892780.db2.gz BNARQGBUBINTTI-LJQANCHMSA-N 0 0 374.412 3.569 20 70 FHIDRN Cc1nc(C(C)(C)NC(=O)Nc2ccc(-c3ncn(C)n3)cc2)sc1C ZINC000161276282 567895613 /nfs/dbraw/zinc/89/56/13/567895613.db2.gz IEKLARPYGJQVLV-UHFFFAOYSA-N 0 0 370.482 3.612 20 70 FHIDRN CCSc1cc(Cl)ccc1C(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000161382951 567924058 /nfs/dbraw/zinc/92/40/58/567924058.db2.gz DPMIMFAGIKXEAL-FVQBIDKESA-N 0 0 369.914 3.861 20 70 FHIDRN O=C(Nc1cccc(Oc2ccccn2)c1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000161423992 567930339 /nfs/dbraw/zinc/93/03/39/567930339.db2.gz SVBFUYLLPUWWIC-ICSRJNTNSA-N 0 0 361.401 3.654 20 70 FHIDRN CCOCCC1(CNC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)CC1 ZINC000161461924 567937806 /nfs/dbraw/zinc/93/78/06/567937806.db2.gz ZCYUBMKFFODNKV-QGZVFWFLSA-N 0 0 374.481 3.511 20 70 FHIDRN O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)C1(c2ccc(F)cc2)CCOCC1 ZINC000161470685 567939416 /nfs/dbraw/zinc/93/94/16/567939416.db2.gz UTSKLIBNVYQBGP-NJDAHSKKSA-N 0 0 365.448 3.576 20 70 FHIDRN CC(C)COc1ccc(C(C)(C)CNC(=O)[C@H]2CCn3ccnc3C2)cc1 ZINC000161474351 567939961 /nfs/dbraw/zinc/93/99/61/567939961.db2.gz QEAUZSOKYNKGGN-KRWDZBQOSA-N 0 0 369.509 3.574 20 70 FHIDRN CCc1nn(C)c(Cl)c1C(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000161480095 567940770 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COCCCOc1cccc(CNC(=O)N2CCC[C@H]2c2ccncc2)c1 ZINC000161228481 567888826 /nfs/dbraw/zinc/88/88/26/567888826.db2.gz WZQXGBQNTCFOQI-FQEVSTJZSA-N 0 0 369.465 3.544 20 70 FHIDRN O=C(NCc1cccc(-c2ccccn2)c1)c1csc([C@H]2CCCO2)n1 ZINC000161197749 567891368 /nfs/dbraw/zinc/89/13/68/567891368.db2.gz JEVDBYREKRXMSI-GOSISDBHSA-N 0 0 365.458 3.987 20 70 FHIDRN CCc1nc(-c2ccccc2NC(=O)[C@H]2C[C@@H]2c2cccc(OC)c2)n[nH]1 ZINC000161282896 567896409 /nfs/dbraw/zinc/89/64/09/567896409.db2.gz FOYXIKQOQBYDCF-SJORKVTESA-N 0 0 362.433 3.785 20 70 FHIDRN CCc1nc(-c2ccccc2NC(=O)c2c(Cl)nc3ccccn32)n[nH]1 ZINC000161325898 567907108 /nfs/dbraw/zinc/90/71/08/567907108.db2.gz FKJDNPPJCJTROK-UHFFFAOYSA-N 0 0 366.812 3.588 20 70 FHIDRN CC[C@H](CC(=O)NC[C@H]1CC(=O)Nc2ccccc21)c1ccc(OC)cc1 ZINC000161342405 567912543 /nfs/dbraw/zinc/91/25/43/567912543.db2.gz UJHUUPVHWYNZPS-NVXWUHKLSA-N 0 0 366.461 3.821 20 70 FHIDRN Cn1cnc(-c2cccc(NC(=O)NCCCc3c[nH]c4ccccc34)c2)n1 ZINC000161423029 567929993 /nfs/dbraw/zinc/92/99/93/567929993.db2.gz YCGMXSDATDUMQD-UHFFFAOYSA-N 0 0 374.448 3.718 20 70 FHIDRN COc1cccc(F)c1[C@H](C)NC(=O)c1c(C)onc1-c1ccccn1 ZINC000161425089 567930653 /nfs/dbraw/zinc/93/06/53/567930653.db2.gz ICLKMAWOOQHSDR-NSHDSACASA-N 0 0 355.369 3.684 20 70 FHIDRN COCc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccc(F)c(F)c2)o1 ZINC000161494966 567945169 /nfs/dbraw/zinc/94/51/69/567945169.db2.gz FSQNLDCGORUGSJ-SJCJKPOMSA-N 0 0 365.376 3.835 20 70 FHIDRN O=C(c1ccnc(OCC(F)(F)F)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000159435557 568308878 /nfs/dbraw/zinc/30/88/78/568308878.db2.gz UFZHZIHPLNGMAX-INIZCTEOSA-N 0 0 364.367 3.870 20 70 FHIDRN O=C(CCc1cnn(-c2ccccc2)c1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000160860475 567823095 /nfs/dbraw/zinc/82/30/95/567823095.db2.gz PAFPMWZTMXNMKN-LJQANCHMSA-N 0 0 367.493 3.803 20 70 FHIDRN Cc1noc(C2CCN([C@@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)CC2)n1 ZINC000160964284 567842349 /nfs/dbraw/zinc/84/23/49/567842349.db2.gz LBGOQRAPHOHFQP-AWEZNQCLSA-N 0 0 367.453 3.985 20 70 FHIDRN CCc1nc2c(s1)[C@@H](N(C)C(=O)CSC[C@@H]1CCCCO1)CCC2 ZINC000161025227 567856240 /nfs/dbraw/zinc/85/62/40/567856240.db2.gz VAZUSBUFSYPLGK-ZFWWWQNUSA-N 0 0 368.568 3.844 20 70 FHIDRN CCc1nc2c(s1)[C@H](N(C)C(=O)CSC[C@@H]1CCCCO1)CCC2 ZINC000161025110 567856296 /nfs/dbraw/zinc/85/62/96/567856296.db2.gz VAZUSBUFSYPLGK-DZGCQCFKSA-N 0 0 368.568 3.844 20 70 FHIDRN C[C@@H]1CCC[C@H](C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)C1 ZINC000161044454 567860186 /nfs/dbraw/zinc/86/01/86/567860186.db2.gz HMVPHAPXSIVRDE-HIFRSBDPSA-N 0 0 363.889 3.738 20 70 FHIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000161151431 567881805 /nfs/dbraw/zinc/88/18/05/567881805.db2.gz BJARXQJAOKRKAU-XLIONFOSSA-N 0 0 356.510 3.966 20 70 FHIDRN COc1ccc2cccc(CC(=O)N(C)[C@H]3CCCc4c3cnn4C)c2c1 ZINC000161206118 567883987 /nfs/dbraw/zinc/88/39/87/567883987.db2.gz SMMPHTRMKSCTPM-FQEVSTJZSA-N 0 0 363.461 3.660 20 70 FHIDRN Cc1cc(C(=O)N(C)Cc2cscn2)nc(-c2ccc(Cl)cc2)n1 ZINC000161218695 567886835 /nfs/dbraw/zinc/88/68/35/567886835.db2.gz RRAKRMCANKJQHM-UHFFFAOYSA-N 0 0 358.854 3.834 20 70 FHIDRN COCCCOc1cccc(CNC(=O)N2CCC[C@@H]2c2ccncc2)c1 ZINC000161228351 567888751 /nfs/dbraw/zinc/88/87/51/567888751.db2.gz WZQXGBQNTCFOQI-HXUWFJFHSA-N 0 0 369.465 3.544 20 70 FHIDRN Cc1cccc([C@@H](NC(=O)Nc2ccc(C(N)=O)c(C)c2)c2ccccn2)c1 ZINC000161342217 567912554 /nfs/dbraw/zinc/91/25/54/567912554.db2.gz GNDSGUCFBQMURO-HXUWFJFHSA-N 0 0 374.444 3.708 20 70 FHIDRN CCc1nc(-c2ccccc2NC(=O)c2ccc(OC(F)F)cc2)n[nH]1 ZINC000161346182 567913503 /nfs/dbraw/zinc/91/35/03/567913503.db2.gz UUSAGGJGPDMFIK-UHFFFAOYSA-N 0 0 358.348 3.888 20 70 FHIDRN Cn1cnnc1[C@H]1CCCN1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000161353609 567915475 /nfs/dbraw/zinc/91/54/75/567915475.db2.gz DCODIADNEWRLNX-CQSZACIVSA-N 0 0 361.421 3.554 20 70 FHIDRN COCc1ccc([C@@H]2CCCN2C(=O)c2cnc(-c3ccccn3)s2)o1 ZINC000161365665 567919778 /nfs/dbraw/zinc/91/97/78/567919778.db2.gz CPUHJCFOIIMGTI-HNNXBMFYSA-N 0 0 369.446 3.922 20 70 FHIDRN