smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)n2[C@H](C)COC)c1 ZINC000514303085 1071094567 /nfs/dbraw/zinc/09/45/67/1071094567.db2.gz TUMXMLZYKRUCMN-OAQYLSRUSA-N 0 0 594.763 5.026 20 30 KKEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2nnc(N3C[C@@H](C)C[C@H](C)C3)n2Cc2ccco2)c1C#N ZINC000514392815 1071114995 /nfs/dbraw/zinc/11/49/95/1071114995.db2.gz CYFJRCFGGOLNQA-OALUTQOASA-N 0 0 547.685 5.064 20 30 KKEDRN CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc([O-])c2)c1C ZINC000010170993 1071342957 /nfs/dbraw/zinc/34/29/57/1071342957.db2.gz DJXUOIAXLOTDIM-UHFFFAOYSA-O 0 0 500.600 5.670 20 30 KKEDRN N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)cc1 ZINC001166358893 1072914213 /nfs/dbraw/zinc/91/42/13/1072914213.db2.gz QOEUEEWXOWPFSU-UHFFFAOYSA-N 0 0 500.002 5.479 20 30 KKEDRN Cc1ccc(/C=C/C2=Cc3c(C#N)c(NC(=O)CSc4nnc(CCC(N)=O)n4CC(C)C)sc3C(C)(C)C2)o1 ZINC000514300020 1071090482 /nfs/dbraw/zinc/09/04/82/1071090482.db2.gz LDCYHNYJOBJSIV-VQHVLOKHSA-N 0 0 578.764 5.696 20 30 KKEDRN CCOc1cc(-c2nnc(SCC(=O)N(CCC#N)c3cccc(Cl)c3)o2)cc(OCC)c1OCC ZINC000514375867 1071098809 /nfs/dbraw/zinc/09/88/09/1071098809.db2.gz XVQJMBKKOUWAKQ-UHFFFAOYSA-N 0 0 531.034 5.625 20 30 KKEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1 ZINC000514389581 1071107495 /nfs/dbraw/zinc/10/74/95/1071107495.db2.gz KIKBKVDMEJVZAR-UHFFFAOYSA-N 0 0 524.430 5.013 20 30 KKEDRN Cc1ccc(/C=C\C2=Cc3c(C#N)c(NC(=O)CSc4nnc(C[C@@H]5CCS(=O)(=O)C5)n4C)sc3C(C)(C)C2)o1 ZINC000514403445 1071111760 /nfs/dbraw/zinc/11/17/60/1071111760.db2.gz VNMMLSYENNUYQR-QJSCKGPTSA-N 0 0 597.788 5.136 20 30 KKEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2Cc2ccco2)c1C#N ZINC000514392816 1071114947 /nfs/dbraw/zinc/11/49/47/1071114947.db2.gz CYFJRCFGGOLNQA-RTBURBONSA-N 0 0 547.685 5.064 20 30 KKEDRN CCc1cccc[n+]1C(C(=O)C1=CCC(=NC(=O)C(C)(C)C)C=C1)=C([S-])Nc1ccc2c(c1)CCC2 ZINC000920394748 1071203437 /nfs/dbraw/zinc/20/34/37/1071203437.db2.gz UCTROHLEXWZQEC-UHFFFAOYSA-O 0 0 500.688 6.145 20 30 KKEDRN N#Cc1ccc(C(=O)N[C@]2(O)C=Cc3ccccc3[C@@H]2c2c(O)ccc3ccccc32)c(C(F)(F)F)c1 ZINC001192122703 1071300100 /nfs/dbraw/zinc/30/01/00/1071300100.db2.gz VTQGYRILCVPJOT-IAPPQJPRSA-N 0 0 500.476 5.713 20 30 KKEDRN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000303179433 1072834256 /nfs/dbraw/zinc/83/42/56/1072834256.db2.gz KLYRFDMNMZTGFJ-RUZDIDTESA-N 0 0 500.002 6.529 20 30 KKEDRN N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12 ZINC001166358876 1072914038 /nfs/dbraw/zinc/91/40/38/1072914038.db2.gz PLNFOJQBZRVDLK-UHFFFAOYSA-N 0 0 500.002 5.479 20 30 KKEDRN CCCC[C@H](Oc1ccc([C@@]2(c3ccc(O)cc3)OS(=O)(=O)c3ccccc32)cc1)c1ccccc1 ZINC001227513469 1072915546 /nfs/dbraw/zinc/91/55/46/1072915546.db2.gz STUMMIMFCFGDGU-MFMCTBQISA-N 0 0 500.616 6.713 20 30 KKEDRN Cc1ccc(/C=C\C2=Cc3c(C#N)c(NC(=O)CSc4nnc(CCC(N)=O)n4CC(C)C)sc3C(C)(C)C2)o1 ZINC000514300019 1071090628 /nfs/dbraw/zinc/09/06/28/1071090628.db2.gz LDCYHNYJOBJSIV-CLFYSBASSA-N 0 0 578.764 5.696 20 30 KKEDRN N#Cc1ccsc1NC(=O)CSc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1 ZINC000514303181 1071094665 /nfs/dbraw/zinc/09/46/65/1071094665.db2.gz VHCGUNBMAICQOH-UHFFFAOYSA-N 0 0 520.606 6.078 20 30 KKEDRN COc1cc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3C#N)n2C2CCCCC2)cc(OC)c1OC ZINC000514375678 1071099696 /nfs/dbraw/zinc/09/96/96/1071099696.db2.gz SYIAXBATMNMXDU-QGZVFWFLSA-N 0 0 521.643 5.467 20 30 KKEDRN COCCCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)nnc1-c1ccccc1Cl ZINC000514395042 1071117126 /nfs/dbraw/zinc/11/71/26/1071117126.db2.gz BBLKHULZXUTUDN-GOSISDBHSA-N 0 0 514.051 5.071 20 30 KKEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000514395651 1071117804 /nfs/dbraw/zinc/11/78/04/1071117804.db2.gz PLPXPMABLCIMND-KRWDZBQOSA-N 0 0 512.035 5.281 20 30 KKEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccco3)cs2)c1 ZINC000642597846 1071215849 /nfs/dbraw/zinc/21/58/49/1071215849.db2.gz RJIBRZIIBYXIRA-UHFFFAOYSA-N 0 0 500.001 5.690 20 30 KKEDRN N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)C(=O)N(CC1CC1)[C@H]2c1ccccc1 ZINC001166423916 1072914568 /nfs/dbraw/zinc/91/45/68/1072914568.db2.gz PWMGEMWKQJKMRJ-DEOSSOPVSA-N 0 0 500.002 5.374 20 30 KKEDRN N#CCSc1ccccc1NC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F ZINC000514291834 1071093467 /nfs/dbraw/zinc/09/34/67/1071093467.db2.gz JGUQEEXLNGJBQR-UHFFFAOYSA-N 0 0 546.644 5.618 20 30 KKEDRN N#Cc1ccc(NC(=S)C(C(=O)c2ccc(Oc3ccccc3)cc2)[n+]2cccc([O-])c2)cc1Cl ZINC000726571516 1072909164 /nfs/dbraw/zinc/90/91/64/1072909164.db2.gz WOBKVIOZJBAHLF-UHFFFAOYSA-O 0 0 500.987 6.320 20 30 KKEDRN CCCCCCCCc1ccc(-c2ccc(-c3noc([C@H](O)Cc4ccc(O)c(OC)c4)n3)cc2)cc1 ZINC001204665785 1072914582 /nfs/dbraw/zinc/91/45/82/1072914582.db2.gz HUECMZWJVPNKHO-MUUNZHRXSA-N 0 0 500.639 7.297 20 30 KKEDRN COCCCn1cc(C(=O)c2cc(OC)ccc2OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc(C#N)c1=O ZINC000514291372 1071093914 /nfs/dbraw/zinc/09/39/14/1071093914.db2.gz FONGLOVUYGYNEU-UHFFFAOYSA-N 0 0 559.663 5.260 20 30 KKEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)c1C#N ZINC000514384304 1071104047 /nfs/dbraw/zinc/10/40/47/1071104047.db2.gz NOUMQZMLJSCJNP-UHFFFAOYSA-N 0 0 547.660 5.054 20 30 KKEDRN C=CCOc1ccccc1CN(C(=O)CSc1nnc(C2CC2)n1C1CC1)c1ccc2c(c1)OCCO2 ZINC000514384611 1071105736 /nfs/dbraw/zinc/10/57/36/1071105736.db2.gz WHHFHMABONNPHE-UHFFFAOYSA-N 0 0 518.639 5.152 20 30 KKEDRN Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)ccc1Cl ZINC000514391607 1071108309 /nfs/dbraw/zinc/10/83/09/1071108309.db2.gz NKMJSTBPZHUTCS-GOSISDBHSA-N 0 0 502.065 5.186 20 30 KKEDRN C=CCn1c(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1[C@H]1COc2ccccc2O1 ZINC000514404861 1071118567 /nfs/dbraw/zinc/11/85/67/1071118567.db2.gz LNSYXVFDSJQYQP-LAUBAEHRSA-N 0 0 511.673 5.280 20 30 KKEDRN C=CCN(C(=O)c1cc(-c2cccc(Cl)c2)no1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000499289689 1071189265 /nfs/dbraw/zinc/18/92/65/1071189265.db2.gz QHAYBLGFRMAUEG-UHFFFAOYSA-N 0 0 500.001 5.355 20 30 KKEDRN N#Cc1ccc(C(=O)N[C@]2(O)C=Cc3ccccc3[C@H]2c2c(O)ccc3ccccc32)c(C(F)(F)F)c1 ZINC001192122705 1071299843 /nfs/dbraw/zinc/29/98/43/1071299843.db2.gz VTQGYRILCVPJOT-XCZPVHLTSA-N 0 0 500.476 5.713 20 30 KKEDRN N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)cc1 ZINC001166424786 1072914798 /nfs/dbraw/zinc/91/47/98/1072914798.db2.gz XUCIVPPUHQBYRL-XMMPIXPASA-N 0 0 500.002 5.374 20 30 KKEDRN COc1cccc(/C=N/CC/N=C/c2cccc(OC)c2O[C@@H](C)c2cccc(C(F)(F)F)c2)c1O ZINC001229812849 1072916017 /nfs/dbraw/zinc/91/60/17/1072916017.db2.gz CGNVBOAXCOOHOD-YNAQKZPISA-N 0 0 500.517 6.106 20 30 KKEDRN CCOc1ccc([C@H](CNC(=O)CCc2c(C)nn(CCC#N)c2C)c2c[nH]c3ccccc32)cc1OC ZINC000514402043 1071109892 /nfs/dbraw/zinc/10/98/92/1071109892.db2.gz KKEOXUKYOLLJDN-VWLOTQADSA-N 0 0 513.642 5.183 20 30 KKEDRN C=CCn1c(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1[C@@H]1COc2ccccc2O1 ZINC000514404863 1071118713 /nfs/dbraw/zinc/11/87/13/1071118713.db2.gz LNSYXVFDSJQYQP-UWJYYQICSA-N 0 0 511.673 5.280 20 30 KKEDRN COCCCn1cc(C(=O)c2cc(F)ccc2OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc(C#N)c1=O ZINC000514291074 1071230281 /nfs/dbraw/zinc/23/02/81/1071230281.db2.gz DBCQGQLSEUXCLN-UHFFFAOYSA-N 0 0 547.627 5.391 20 30 KKEDRN N#Cc1ccc(C(=O)N[C@@]2(O)C=Cc3ccccc3[C@@H]2c2c(O)ccc3ccccc32)c(C(F)(F)F)c1 ZINC001192122704 1071299966 /nfs/dbraw/zinc/29/99/66/1071299966.db2.gz VTQGYRILCVPJOT-IXCJQBJRSA-N 0 0 500.476 5.713 20 30 KKEDRN O=C(c1ccc(Cl)cc1Cl)C(C(=S)Nc1ccc(SC(F)F)cc1)[n+]1cccc([O-])c1 ZINC000011113095 1072699410 /nfs/dbraw/zinc/69/94/10/1072699410.db2.gz RINLRFXIJWVYJN-UHFFFAOYSA-O 0 0 500.399 6.352 20 30 KKEDRN CCCC[C@@H](Oc1ccc([C@]2(c3ccc(O)cc3)OS(=O)(=O)c3ccccc32)cc1)c1ccccc1 ZINC001227513467 1072915401 /nfs/dbraw/zinc/91/54/01/1072915401.db2.gz STUMMIMFCFGDGU-DGPALRBDSA-N 0 0 500.616 6.713 20 30 KKEDRN N#Cc1ccc2[nH]c(O[C@H]3CCCc4c(Cl)ccnc43)c(-c3ccc(CN4CCOCC4)cn3)c2c1 ZINC001229566677 1072916144 /nfs/dbraw/zinc/91/61/44/1072916144.db2.gz QEEVULQNFCWVTL-VWLOTQADSA-N 0 0 500.002 5.439 20 30 KKEDRN CCCCCCCCCCCCCCCCCC(=O)NCCCCOn1c(CCCC)nc2c1c1ccccc1nc2N ZINC000114358178 1069723303 /nfs/dbraw/zinc/72/33/03/1069723303.db2.gz RRTPWQXEERTRRK-UHFFFAOYSA-N 0 0 593.901 9.096 20 30 KKEDRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccncc4)n3CCOC)sc2C1 ZINC000514292570 1071087145 /nfs/dbraw/zinc/08/71/45/1071087145.db2.gz NTKBTEFTMUHNOL-GOSISDBHSA-N 0 0 524.716 5.192 20 30 KKEDRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)n2[C@@H](C)COC)c1 ZINC000514303084 1071094783 /nfs/dbraw/zinc/09/47/83/1071094783.db2.gz TUMXMLZYKRUCMN-NRFANRHFSA-N 0 0 594.763 5.026 20 30 KKEDRN CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3cc(OCC)c(OCC)c(OCC)c3)o2)cc1 ZINC000514375706 1071099825 /nfs/dbraw/zinc/09/98/25/1071099825.db2.gz VJMYMGGETOVBRB-UHFFFAOYSA-N 0 0 540.642 5.370 20 30 KKEDRN COc1cccc(NCc2nnc(SCC(=O)c3cn(CCC#N)c4ccccc34)n2C2CCCCC2)c1 ZINC000514403708 1071112448 /nfs/dbraw/zinc/11/24/48/1071112448.db2.gz ZKNPREJASLKFLF-UHFFFAOYSA-N 0 0 528.682 6.247 20 30 KKEDRN CCCc1cc[n+](C(C(=O)C2=CCC(=NC(=O)C(C)C)C=C2)=C([S-])Nc2ccc3c(c2)CCC3)cc1 ZINC000920394247 1071203421 /nfs/dbraw/zinc/20/34/21/1071203421.db2.gz JGOGKWSQIGLGFW-UHFFFAOYSA-O 0 0 500.688 6.145 20 30 KKEDRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000303179434 1072834241 /nfs/dbraw/zinc/83/42/41/1072834241.db2.gz KLYRFDMNMZTGFJ-VWLOTQADSA-N 0 0 500.002 6.529 20 30 KKEDRN N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)C(=O)N(CC1CC1)[C@@H]2c1ccccc1 ZINC001166423917 1072914753 /nfs/dbraw/zinc/91/47/53/1072914753.db2.gz PWMGEMWKQJKMRJ-XMMPIXPASA-N 0 0 500.002 5.374 20 30 KKEDRN COc1cccc(/C=N/CC/N=C/c2cccc(OC)c2O[C@@H](c2ccc(C)cc2)C(F)(F)F)c1O ZINC001229814036 1072916252 /nfs/dbraw/zinc/91/62/52/1072916252.db2.gz NJGQHVGADUDKOV-YNEUVUOKSA-N 0 0 500.517 5.938 20 30 KKEDRN C[C@@H](O[C@H]1CC[C@@H]2CN(C3=CC(=O)CC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000044305871 562653601 /nfs/dbraw/zinc/65/36/01/562653601.db2.gz FLNYCRJBCNNHRH-OIYLJQICSA-N 0 0 555.534 7.682 20 30 investigational KKEDRN COc1cc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3C#N)n2C2CCCCC2)cc(OC)c1OC ZINC000514375677 1071099589 /nfs/dbraw/zinc/09/95/89/1071099589.db2.gz SYIAXBATMNMXDU-KRWDZBQOSA-N 0 0 521.643 5.467 20 30 KKEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000514382666 1071103313 /nfs/dbraw/zinc/10/33/13/1071103313.db2.gz UZUZMMKWBVUDLP-UHFFFAOYSA-N 0 0 506.999 5.036 20 30 KKEDRN Cc1ccc(/C=C\C2=Cc3c(C#N)c(NC(=O)CSc4nnc(C[C@H]5CCS(=O)(=O)C5)n4C)sc3C(C)(C)C2)o1 ZINC000514403444 1071111638 /nfs/dbraw/zinc/11/16/38/1071111638.db2.gz VNMMLSYENNUYQR-MONCILHSSA-N 0 0 597.788 5.136 20 30 KKEDRN CCC(CC)c1cc[n+](C(C(=O)C2=CCC(=NC(C)=O)C=C2)=C([S-])Nc2ccc3c(c2)CCC3)cc1 ZINC000920394270 1071203249 /nfs/dbraw/zinc/20/32/49/1071203249.db2.gz KSRXUECNKIKDJY-UHFFFAOYSA-O 0 0 500.688 6.460 20 30 KKEDRN C/C=C(\C)n1cc(C#N)c(=Nc2ccc(OCc3ccccn3)c(Cl)c2)c2cc(N)c(OCC)cc21 ZINC001210796812 1072914769 /nfs/dbraw/zinc/91/47/69/1072914769.db2.gz VLYNJSAPOPZZSF-JTKSFUEMSA-N 0 0 500.002 6.234 20 30 KKEDRN O=S1(=O)O[C@](c2ccc(O)cc2)(c2ccc(OC[C@H]3CCc4ccccc4O3)cc2)c2ccccc21 ZINC001227510717 1072915519 /nfs/dbraw/zinc/91/55/19/1072915519.db2.gz BNFCPYIRVHLVFE-VAVYLYDRSA-N 0 0 500.572 5.176 20 30 KKEDRN O=S1(=O)O[C@@](c2ccc(O)cc2)(c2ccc(OC[C@H]3CCc4ccccc4O3)cc2)c2ccccc21 ZINC001227510715 1072915616 /nfs/dbraw/zinc/91/56/16/1072915616.db2.gz BNFCPYIRVHLVFE-IRPSRAIASA-N 0 0 500.572 5.176 20 30 KKEDRN COc1cccc(NCc2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCC4)n2C2CCCCC2)c1 ZINC000514402055 1071109826 /nfs/dbraw/zinc/10/98/26/1071109826.db2.gz KUUJSTYMESTOCF-UHFFFAOYSA-N 0 0 536.727 5.947 20 30 KKEDRN COc1cccc(NCc2nnc(S[C@H]3CCN(c4ccc(C#N)cc4)C3=O)n2C2CCCCC2)c1 ZINC000514392515 1071114890 /nfs/dbraw/zinc/11/48/90/1071114890.db2.gz XCWKAYQMLPUUOF-DEOSSOPVSA-N 0 0 502.644 5.173 20 30 KKEDRN C=CCn1c(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)nnc1[C@H]1COc2ccccc2O1 ZINC000514404860 1071118695 /nfs/dbraw/zinc/11/86/95/1071118695.db2.gz LNSYXVFDSJQYQP-DYESRHJHSA-N 0 0 511.673 5.280 20 30 KKEDRN Cc1ccc(C(=O)C(C(=S)Nc2ccc(Oc3ccccc3)cc2)[n+]2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000022730172 1071147952 /nfs/dbraw/zinc/14/79/52/1071147952.db2.gz RUGZTMVTKGWPAX-UHFFFAOYSA-O 0 0 500.556 5.740 20 30 KKEDRN N#Cc1ccc(C(=O)N[C@@]2(O)C=Cc3ccccc3[C@H]2c2c(O)ccc3ccccc32)c(C(F)(F)F)c1 ZINC001192122706 1071299751 /nfs/dbraw/zinc/29/97/51/1071299751.db2.gz VTQGYRILCVPJOT-XTEPFMGCSA-N 0 0 500.476 5.713 20 30 KKEDRN O=C(c1ccc(Cl)c(Cl)c1)C(C(=S)Nc1ccc(SC(F)F)cc1)[n+]1cccc([O-])c1 ZINC000011113246 1072699455 /nfs/dbraw/zinc/69/94/55/1072699455.db2.gz POMXXAMNQLRDMX-UHFFFAOYSA-O 0 0 500.399 6.352 20 30 KKEDRN COc1cccc(/C=N/CC/N=C/c2cccc(OC)c2O[C@@H](C)c2ccccc2C(F)(F)F)c1O ZINC001229818256 1072916771 /nfs/dbraw/zinc/91/67/71/1072916771.db2.gz JZSGEOAFRQREJQ-YNAQKZPISA-N 0 0 500.517 6.106 20 30 KKEDRN O=C(NCc1ccc(OC(F)(F)F)c(F)c1)[C@H]1CN(c2nc3nc(C4CC4)ncc3s2)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000098209057 1069694844 /nfs/dbraw/zinc/69/48/44/1069694844.db2.gz JQLOVYLALGSISI-HXUWFJFHSA-N 0 0 704.650 5.216 20 30 investigational KKEDRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccncc4)n3CCOC)sc2C1 ZINC000514292576 1071087279 /nfs/dbraw/zinc/08/72/79/1071087279.db2.gz NTKBTEFTMUHNOL-SFHVURJKSA-N 0 0 524.716 5.192 20 30 KKEDRN CCOc1ccc(N(CCC#N)C(=O)CSc2nnc(CNc3cccc(OC)c3)n2C2CCCCC2)cc1 ZINC000514300958 1071091364 /nfs/dbraw/zinc/09/13/64/1071091364.db2.gz UZVUGZWTYFDBAR-UHFFFAOYSA-N 0 0 548.713 5.842 20 30 KKEDRN Cc1cc(N(CCC#N)C(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)ccc1Cl ZINC000514391612 1071108106 /nfs/dbraw/zinc/10/81/06/1071108106.db2.gz NKMJSTBPZHUTCS-SFHVURJKSA-N 0 0 502.065 5.186 20 30 KKEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2nnc(N3C[C@H](C)C[C@H](C)C3)n2Cc2ccco2)c1C#N ZINC000514392814 1071114909 /nfs/dbraw/zinc/11/49/09/1071114909.db2.gz 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