smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H](C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC000159880330 545988307 /nfs/dbraw/zinc/98/83/07/545988307.db2.gz AUBSNJJPWDWORO-VQTJNVASSA-N 0 1 360.546 2.212 10 70 FEIEMN Cc1csc([C@@H]2CCCN(CCN3C(=O)NC4(CCCC4)C3=O)C2)n1 ZINC000159998617 545998261 /nfs/dbraw/zinc/99/82/61/545998261.db2.gz CWMPBUINYFJPHC-CQSZACIVSA-N 0 1 362.499 2.496 10 70 FEIEMN O=C(CCN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000161061364 546097332 /nfs/dbraw/zinc/09/73/32/546097332.db2.gz QDAAFIWTWFJXAH-HOTGVXAUSA-N 0 1 372.387 2.062 10 70 FEIEMN CCOCCN1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[C@@H]1CC ZINC000161157163 546104930 /nfs/dbraw/zinc/10/49/30/546104930.db2.gz ACRLNJAAMWEBSL-FJIDUMEYSA-N 0 1 365.518 2.086 10 70 FEIEMN CCS(=O)(=O)c1cccc(CC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000161342225 546121417 /nfs/dbraw/zinc/12/14/17/546121417.db2.gz PVYWMZFQGOHBQM-QGZVFWFLSA-N 0 1 366.527 2.259 10 70 FEIEMN Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000161230567 326992501 /nfs/dbraw/zinc/99/25/01/326992501.db2.gz ROVFGKICLODNTC-OAHLLOKOSA-N 0 1 361.490 2.077 10 70 FEIEMN COC(=O)c1ccccc1N(C)C(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161051292 546095895 /nfs/dbraw/zinc/09/58/95/546095895.db2.gz ALZMBXVHLHZUSV-FOIQADDNSA-N 0 1 360.454 2.063 10 70 FEIEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2cc(C)ccc2-n2cc(C)cn2)C1 ZINC000160683793 546062204 /nfs/dbraw/zinc/06/22/04/546062204.db2.gz RMWVWRSQTHCBQO-INIZCTEOSA-N 0 1 369.469 2.028 10 70 FEIEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)ccc2-n2cc(C)cn2)C1 ZINC000160683934 546062476 /nfs/dbraw/zinc/06/24/76/546062476.db2.gz RMWVWRSQTHCBQO-MRXNPFEDSA-N 0 1 369.469 2.028 10 70 FEIEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160255856 546022795 /nfs/dbraw/zinc/02/27/95/546022795.db2.gz XMVGXNARWHDSPD-MRXNPFEDSA-N 0 1 352.438 2.288 10 70 FEIEMN O=C(NC1CCN(Cc2ccccn2)CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000161037847 546094875 /nfs/dbraw/zinc/09/48/75/546094875.db2.gz JAEHSTSXIFIGHH-UWJYYQICSA-N 0 1 372.513 2.383 10 70 FEIEMN C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000161247203 546114031 /nfs/dbraw/zinc/11/40/31/546114031.db2.gz OAVSJWZHHCDTAF-AYBZRNKSSA-N 0 1 360.502 2.457 10 70 FEIEMN CCC[C@@H](C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)N(C)C ZINC000161261501 326993455 /nfs/dbraw/zinc/99/34/55/326993455.db2.gz KIUBHZSGGSLQBF-HNNXBMFYSA-N 0 1 355.504 2.432 10 70 FEIEMN Brc1ccc2nc(CN3CC[C@@H](N4CCOCC4)C3)[nH]c2c1 ZINC000159825105 545984291 /nfs/dbraw/zinc/98/42/91/545984291.db2.gz LZQDJHUEAOTWCD-CYBMUJFWSA-N 0 1 365.275 2.232 10 70 FEIEMN CCOCc1ccc(CNC(=O)CN2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160496717 546047206 /nfs/dbraw/zinc/04/72/06/546047206.db2.gz HQGOYBKGQVHXIS-TZIWHRDSSA-N 0 1 360.498 2.466 10 70 FEIEMN O=C(NC1CCN(Cc2ccccn2)CC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161037469 546095203 /nfs/dbraw/zinc/09/52/03/546095203.db2.gz JAEHSTSXIFIGHH-DYESRHJHSA-N 0 1 372.513 2.383 10 70 FEIEMN Cc1nc([C@H]2CN(C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CCO2)n[nH]1 ZINC000159854758 545986257 /nfs/dbraw/zinc/98/62/57/545986257.db2.gz QEFDJOHFMFHYBU-GOEBONIOSA-N 0 1 361.833 2.333 10 70 FEIEMN CCc1nc([C@@H]2CN(C(=O)Nc3ccc(N(C)C)c(C)c3)CCO2)n[nH]1 ZINC000160802379 546073237 /nfs/dbraw/zinc/07/32/37/546073237.db2.gz RJFFNNMDHYVBTC-HNNXBMFYSA-N 0 1 358.446 2.347 10 70 FEIEMN CCOCCN1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[C@H]1CC ZINC000161157021 546104945 /nfs/dbraw/zinc/10/49/45/546104945.db2.gz ACRLNJAAMWEBSL-XDNAFOTISA-N 0 1 365.518 2.086 10 70 FEIEMN COC(=O)c1ccccc1N(C)C(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161051422 546095731 /nfs/dbraw/zinc/09/57/31/546095731.db2.gz ALZMBXVHLHZUSV-QRWLVFNGSA-N 0 1 360.454 2.063 10 70 FEIEMN CNC(=O)CN1CCC(CN(C)c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159578723 326935615 /nfs/dbraw/zinc/93/56/15/326935615.db2.gz VYOMPVJTXPLSBN-UHFFFAOYSA-N 0 1 362.424 2.407 10 70 FEIEMN O=C(CN1CC[C@]2(O)CCCC[C@@H]2C1)NCCCOC1CCCCC1 ZINC000161152340 546105334 /nfs/dbraw/zinc/10/53/34/546105334.db2.gz ZAMBINSUXCYJGO-YLJYHZDGSA-N 0 1 352.519 2.469 10 70 FEIEMN CCN1CCC[C@H](NC(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160255751 546023566 /nfs/dbraw/zinc/02/35/66/546023566.db2.gz XMVGXNARWHDSPD-INIZCTEOSA-N 0 1 352.438 2.288 10 70 FEIEMN CCOCCN1CCN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)C[C@H]1CC ZINC000160433668 546040534 /nfs/dbraw/zinc/04/05/34/546040534.db2.gz PQCMIJYIOBTSRO-RHSMWYFYSA-N 0 1 350.507 2.479 10 70 FEIEMN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)Cc1cccc(S(=O)(=O)CC)c1 ZINC000160618395 546057041 /nfs/dbraw/zinc/05/70/41/546057041.db2.gz JICDYYMEZWGBOU-IAGOWNOFSA-N 0 1 364.511 2.108 10 70 FEIEMN CS(=O)(=O)c1ccc(OCCCN2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000161017961 546093009 /nfs/dbraw/zinc/09/30/09/546093009.db2.gz AUUCHQCHDIFKOL-APWZRJJASA-N 0 1 367.511 2.486 10 70 FEIEMN O=C(CCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000161061725 546097321 /nfs/dbraw/zinc/09/73/21/546097321.db2.gz QDAAFIWTWFJXAH-HZPDHXFCSA-N 0 1 372.387 2.062 10 70 FEIEMN O=C(NCCc1nnc(-c2ccccc2)o1)N1CCN2CCCC[C@H]2C1 ZINC000159846756 545985847 /nfs/dbraw/zinc/98/58/47/545985847.db2.gz JSCYIEIFLKDEPY-INIZCTEOSA-N 0 1 355.442 2.159 10 70 FEIEMN O=C(NCCc1nnc(-c2ccccc2)o1)N1CCN2CCCC[C@@H]2C1 ZINC000159846583 545986441 /nfs/dbraw/zinc/98/64/41/545986441.db2.gz JSCYIEIFLKDEPY-MRXNPFEDSA-N 0 1 355.442 2.159 10 70 FEIEMN CCn1cc(C2CCN([C@H]3CCCN(c4cnn(C)c4)C3=O)CC2)cn1 ZINC000160058894 326952102 /nfs/dbraw/zinc/95/21/02/326952102.db2.gz NOPVEJHZJDSUIA-SFHVURJKSA-N 0 1 356.474 2.012 10 70 FEIEMN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)NC[C@H](C)N(CC)CC ZINC000159597186 545965582 /nfs/dbraw/zinc/96/55/82/545965582.db2.gz YMSXEWWVIRDEOF-HOTGVXAUSA-N 0 1 369.531 2.268 10 70 FEIEMN CC[C@H](CO)N1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159855516 326944295 /nfs/dbraw/zinc/94/42/95/326944295.db2.gz LLIVBBJKMIURBQ-IAGOWNOFSA-N 0 1 351.878 2.222 10 70 FEIEMN Cc1nc([C@@H]2CN(C(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)CCO2)n[nH]1 ZINC000160697777 546063773 /nfs/dbraw/zinc/06/37/73/546063773.db2.gz IFJSZEYJYABNCI-IKGGRYGDSA-N 0 1 371.441 2.116 10 70 FEIEMN CCOC(=O)CN(C(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000160984005 546090036 /nfs/dbraw/zinc/09/00/36/546090036.db2.gz VDVCGMLKOBJVPU-DYESRHJHSA-N 0 1 374.481 2.210 10 70 FEIEMN COc1cc2nc(CN3CCC(c4ccn[nH]4)CC3)[nH]c(=O)c2cc1OC ZINC000160541415 546050159 /nfs/dbraw/zinc/05/01/59/546050159.db2.gz RBGZBILWQRDSES-UHFFFAOYSA-N 0 1 369.425 2.043 10 70 FEIEMN CCOCc1ccccc1CNC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161087411 546098268 /nfs/dbraw/zinc/09/82/68/546098268.db2.gz HVUGFFBNGAVWNT-CTNGQTDRSA-N 0 1 360.498 2.466 10 70 FEIEMN CC[C@H](CO)N1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159855318 545986426 /nfs/dbraw/zinc/98/64/26/545986426.db2.gz LLIVBBJKMIURBQ-SJORKVTESA-N 0 1 351.878 2.222 10 70 FEIEMN O=C(CN1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1cccc(N2CCCC2=O)c1 ZINC000161126086 546103104 /nfs/dbraw/zinc/10/31/04/546103104.db2.gz AQEQVGNLOMXPFF-IERDGZPVSA-N 0 1 371.481 2.379 10 70 FEIEMN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCNCC1)c1ccc(Cl)cc1 ZINC000159396469 326930239 /nfs/dbraw/zinc/93/02/39/326930239.db2.gz NJJWYEDJJJQDGM-GOSISDBHSA-N 0 1 371.868 2.113 10 70 FEIEMN CCC[C@H](C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)N(C)C ZINC000161261628 326993595 /nfs/dbraw/zinc/99/35/95/326993595.db2.gz KIUBHZSGGSLQBF-OAHLLOKOSA-N 0 1 355.504 2.432 10 70 FEIEMN Cc1cc(C[C@H](C)NC(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n[nH]1 ZINC000161178845 546106878 /nfs/dbraw/zinc/10/68/78/546106878.db2.gz RJRWEVMOYFHUBJ-UBHSHLNASA-N 0 1 350.463 2.459 10 70 FEIEMN CC[C@@H]1CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CCN1CCOC ZINC000160748175 546069539 /nfs/dbraw/zinc/06/95/39/546069539.db2.gz MTJITGFMSCBJNC-QGZVFWFLSA-N 0 1 372.473 2.057 10 70 FEIEMN O=C(CCN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000161061607 546097403 /nfs/dbraw/zinc/09/74/03/546097403.db2.gz QDAAFIWTWFJXAH-CVEARBPZSA-N 0 1 372.387 2.062 10 70 FEIEMN CC[C@H]1CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CCN1CCOC ZINC000160748312 546068896 /nfs/dbraw/zinc/06/88/96/546068896.db2.gz MTJITGFMSCBJNC-KRWDZBQOSA-N 0 1 372.473 2.057 10 70 FEIEMN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCNCC1)c1ccc(Cl)cc1 ZINC000159396361 326930183 /nfs/dbraw/zinc/93/01/83/326930183.db2.gz NJJWYEDJJJQDGM-SFHVURJKSA-N 0 1 371.868 2.113 10 70 FEIEMN CCOCCN1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C[C@H]1CC ZINC000160628098 546057844 /nfs/dbraw/zinc/05/78/44/546057844.db2.gz AWSKDHVZMQCDGS-KURKYZTESA-N 0 1 353.507 2.086 10 70 FEIEMN CCOCCN1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C[C@@H]1CC ZINC000160628190 546057893 /nfs/dbraw/zinc/05/78/93/546057893.db2.gz AWSKDHVZMQCDGS-SQNIBIBYSA-N 0 1 353.507 2.086 10 70 FEIEMN Brc1ccc2nc(CN3CC[C@H](N4CCOCC4)C3)[nH]c2c1 ZINC000159824966 545984096 /nfs/dbraw/zinc/98/40/96/545984096.db2.gz LZQDJHUEAOTWCD-ZDUSSCGKSA-N 0 1 365.275 2.232 10 70 FEIEMN CS(=O)(=O)c1ccc(OCCCN2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000161017841 546092787 /nfs/dbraw/zinc/09/27/87/546092787.db2.gz AUUCHQCHDIFKOL-VQIMIIECSA-N 0 1 367.511 2.486 10 70 FEIEMN O=C(NC1CCN(Cc2ccccn2)CC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161037600 326985966 /nfs/dbraw/zinc/98/59/66/326985966.db2.gz JAEHSTSXIFIGHH-UTKZUKDTSA-N 0 1 372.513 2.383 10 70 FEIEMN CC(C)[C@@H](O)CC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000159376323 545947379 /nfs/dbraw/zinc/94/73/79/545947379.db2.gz XJNIRSZLYOOSIJ-SFHVURJKSA-N 0 1 367.921 2.375 10 70 FEIEMN Cc1nc([C@@H]2CN(C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CCO2)n[nH]1 ZINC000159854631 545986042 /nfs/dbraw/zinc/98/60/42/545986042.db2.gz QEFDJOHFMFHYBU-HOCLYGCPSA-N 0 1 361.833 2.333 10 70 FEIEMN CCC[C@H](C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC000159880457 545988373 /nfs/dbraw/zinc/98/83/73/545988373.db2.gz AUBSNJJPWDWORO-WOJBJXKFSA-N 0 1 360.546 2.212 10 70 FEIEMN O=C(CN1CC[C@@]2(O)CCCC[C@@H]2C1)NCCCOC1CCCCC1 ZINC000161152477 546105065 /nfs/dbraw/zinc/10/50/65/546105065.db2.gz ZAMBINSUXCYJGO-XLIONFOSSA-N 0 1 352.519 2.469 10 70 FEIEMN CCc1nc([C@H]2CN(C(=O)Nc3ccc(N(C)C)c(C)c3)CCO2)n[nH]1 ZINC000160802486 546073602 /nfs/dbraw/zinc/07/36/02/546073602.db2.gz RJFFNNMDHYVBTC-OAHLLOKOSA-N 0 1 358.446 2.347 10 70 FEIEMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n[nH]1 ZINC000161178606 546107007 /nfs/dbraw/zinc/10/70/07/546107007.db2.gz RJRWEVMOYFHUBJ-YUTCNCBUSA-N 0 1 350.463 2.459 10 70 FEIEMN CCOCCN1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159811694 326943000 /nfs/dbraw/zinc/94/30/00/326943000.db2.gz DTYMRWWZJBMKTO-QGZVFWFLSA-N 0 1 351.878 2.487 10 70 FEIEMN Cc1nc([C@@H]2CN(C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)CCO2)n[nH]1 ZINC000160698018 546064215 /nfs/dbraw/zinc/06/42/15/546064215.db2.gz IFJSZEYJYABNCI-ULQDDVLXSA-N 0 1 371.441 2.116 10 70 FEIEMN CCOCCN1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159811537 545983030 /nfs/dbraw/zinc/98/30/30/545983030.db2.gz DTYMRWWZJBMKTO-KRWDZBQOSA-N 0 1 351.878 2.487 10 70 FEIEMN CCOC(=O)CN(C(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000160984141 546090513 /nfs/dbraw/zinc/09/05/13/546090513.db2.gz VDVCGMLKOBJVPU-UTKZUKDTSA-N 0 1 374.481 2.210 10 70 FEIEMN CC[C@@H](CO)N1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159855214 326944258 /nfs/dbraw/zinc/94/42/58/326944258.db2.gz LLIVBBJKMIURBQ-IRXDYDNUSA-N 0 1 351.878 2.222 10 70 FEIEMN CCS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN2CC(C)C)cc1 ZINC000160580327 546053258 /nfs/dbraw/zinc/05/32/58/546053258.db2.gz HITQHVRYAIPGAO-MRXNPFEDSA-N 0 1 352.500 2.330 10 70 FEIEMN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)Cc1cccc(S(=O)(=O)CC)c1 ZINC000160618503 546056968 /nfs/dbraw/zinc/05/69/68/546056968.db2.gz JICDYYMEZWGBOU-DLBZAZTESA-N 0 1 364.511 2.108 10 70 FEIEMN O=C(NC1CCN(Cc2ccccn2)CC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000161037716 546095154 /nfs/dbraw/zinc/09/51/54/546095154.db2.gz JAEHSTSXIFIGHH-LAUBAEHRSA-N 0 1 372.513 2.383 10 70 FEIEMN O=C(CN1CC[C@]2(O)CCCC[C@@H]2C1)Nc1cccc(N2CCCC2=O)c1 ZINC000161125963 546102190 /nfs/dbraw/zinc/10/21/90/546102190.db2.gz AQEQVGNLOMXPFF-IIBYNOLFSA-N 0 1 371.481 2.379 10 70 FEIEMN CC[C@@H](CO)N1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159855440 326944360 /nfs/dbraw/zinc/94/43/60/326944360.db2.gz LLIVBBJKMIURBQ-DLBZAZTESA-N 0 1 351.878 2.222 10 70 FEIEMN Cc1csc([C@H]2CCCN(CCN3C(=O)NC4(CCCC4)C3=O)C2)n1 ZINC000159998732 545998450 /nfs/dbraw/zinc/99/84/50/545998450.db2.gz CWMPBUINYFJPHC-AWEZNQCLSA-N 0 1 362.499 2.496 10 70 FEIEMN CCOCCN1CCN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)C[C@@H]1CC ZINC000160433782 546040587 /nfs/dbraw/zinc/04/05/87/546040587.db2.gz PQCMIJYIOBTSRO-PBHICJAKSA-N 0 1 350.507 2.479 10 70 FEIEMN O=C(CCN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000161061497 546096947 /nfs/dbraw/zinc/09/69/47/546096947.db2.gz QDAAFIWTWFJXAH-JKSUJKDBSA-N 0 1 372.387 2.062 10 70 FEIEMN CCn1cc(C2CCN([C@@H]3CCCN(c4cnn(C)c4)C3=O)CC2)cn1 ZINC000160058763 546004385 /nfs/dbraw/zinc/00/43/85/546004385.db2.gz NOPVEJHZJDSUIA-GOSISDBHSA-N 0 1 356.474 2.012 10 70 FEIEMN CC(C)[C@H](O)CC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000159376180 326929080 /nfs/dbraw/zinc/92/90/80/326929080.db2.gz XJNIRSZLYOOSIJ-GOSISDBHSA-N 0 1 367.921 2.375 10 70 FEIEMN CCOCc1ccccc1CNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161087263 546098672 /nfs/dbraw/zinc/09/86/72/546098672.db2.gz HVUGFFBNGAVWNT-TZIWHRDSSA-N 0 1 360.498 2.466 10 70 FEIEMN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)NC[C@H](C)N(CC)CC ZINC000159597319 326936519 /nfs/dbraw/zinc/93/65/19/326936519.db2.gz YMSXEWWVIRDEOF-JKSUJKDBSA-N 0 1 369.531 2.268 10 70 FEIEMN CCOCc1ccc(CNC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160496842 546047191 /nfs/dbraw/zinc/04/71/91/546047191.db2.gz HQGOYBKGQVHXIS-CTNGQTDRSA-N 0 1 360.498 2.466 10 70 FEIEMN