smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(C)c(C)c1S(=O)(=O)NCC1CCN([C@H]2CCOC2)CC1 ZINC000618256242 836092481 /nfs/dbraw/zinc/09/24/81/836092481.db2.gz PRDMWVGBJVJOQC-HNNXBMFYSA-N 0 3 356.492 0.816 50 0 FCAAHN COCCN1CCC[C@@H](CNS(=O)(=O)N2CCC(COC)CC2)C1 ZINC000824413192 836522741 /nfs/dbraw/zinc/52/27/41/836522741.db2.gz UHZUWWYPNXZRTM-INIZCTEOSA-N 0 3 363.524 0.538 50 0 FCAAHN C[C@H](NC(=O)C(=O)NCCN(C)C)[C@H](c1cccs1)N1CCOCC1 ZINC000004959241 204181267 /nfs/dbraw/zinc/18/12/67/204181267.db2.gz LMKTWSPAIZFSIE-DZGCQCFKSA-N 0 3 368.503 0.304 50 0 FCAAHN CCN1CCC[C@H]1CNC(=O)c1nc(COc2ccccc2C(N)=O)no1 ZINC000040267704 205064802 /nfs/dbraw/zinc/06/48/02/205064802.db2.gz WRVQZLLFDABGTD-LBPRGKRZSA-N 0 3 373.413 0.962 50 0 FCAAHN CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000056184317 205228731 /nfs/dbraw/zinc/22/87/31/205228731.db2.gz VJIPUDFJGHNJSN-NEPJUHHUSA-N 0 3 362.430 0.839 50 0 FCAAHN Cc1ccc([C@@H](CNC(=O)Cn2cnc3c(cnn3C)c2=O)N(C)C)cc1 ZINC000058217965 205263864 /nfs/dbraw/zinc/26/38/64/205263864.db2.gz YEXLBCALWYTZKZ-MRXNPFEDSA-N 0 3 368.441 0.858 50 0 FCAAHN Cn1c2c(C(=O)NCc3ccc(F)cc3)cnn2c(=O)c2c1CCNC2 ZINC000064966161 205311994 /nfs/dbraw/zinc/31/19/94/205311994.db2.gz NAMYSDGTGXBJFF-UHFFFAOYSA-N 0 3 355.373 0.748 50 0 FCAAHN COC(=O)[C@@H]1C[C@@H](N(C)C)CN1Cc1c(C)nn(C)c1N1CCOCC1 ZINC000065432800 205350290 /nfs/dbraw/zinc/35/02/90/205350290.db2.gz JTNVOGUTPISRQB-ZBFHGGJFSA-N 0 3 365.478 0.243 50 0 FCAAHN CN1CCCN(CC(=O)NCCN2N=C(c3ccccc3)CCC2=O)CC1 ZINC000065369791 205339593 /nfs/dbraw/zinc/33/95/93/205339593.db2.gz YBJATJFHLJTSNY-UHFFFAOYSA-N 0 3 371.485 0.767 50 0 FCAAHN CC(=O)NCCNC[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000067491024 205373214 /nfs/dbraw/zinc/37/32/14/205373214.db2.gz BBCOLEKCOPCFKM-QGZVFWFLSA-N 0 3 355.385 0.544 50 0 FCAAHN Cc1csc(NC(=O)C(=O)N2CCN(C)C3(CCN(C)CC3)C2)n1 ZINC000067674851 205381814 /nfs/dbraw/zinc/38/18/14/205381814.db2.gz FEIAFBZPEDOLSM-UHFFFAOYSA-N 0 3 351.476 0.628 50 0 FCAAHN CN1CCC2(CC1)CN(C(=O)CCn1c3ccccc3[nH]c1=O)CCN2C ZINC000067675823 205382275 /nfs/dbraw/zinc/38/22/75/205382275.db2.gz XDXBYOAVYUOQRT-UHFFFAOYSA-N 0 3 371.485 0.958 50 0 FCAAHN Cc1cc(N2CCC([C@]3(c4ccccn4)NC(=O)NC3=O)CC2)nc(N)n1 ZINC000067726841 205387545 /nfs/dbraw/zinc/38/75/45/205387545.db2.gz FDZCFCWUSOEKJP-GOSISDBHSA-N 0 3 367.413 0.714 50 0 FCAAHN Cc1nn(CC(=O)NCCN2CCCC2)c(=O)n1-c1ccc2c(c1)OCO2 ZINC000077287185 205586030 /nfs/dbraw/zinc/58/60/30/205586030.db2.gz JZKYLYYXXWFWSM-UHFFFAOYSA-N 0 3 373.413 0.283 50 0 FCAAHN Cc1ccc(Cn2c(=O)c3c(nc(N4CCNCC4)n3C)n(C)c2=O)cc1 ZINC000004370915 206175424 /nfs/dbraw/zinc/17/54/24/206175424.db2.gz JVEMYHJZZLYVTA-UHFFFAOYSA-N 0 3 368.441 0.200 50 0 FCAAHN O=C(c1cccc(-n2cnnc2)n1)N1CCN([C@@H]2CN3CCC2CC3)CC1 ZINC000215044298 206344177 /nfs/dbraw/zinc/34/41/77/206344177.db2.gz YYSIRHYEMNQIOV-QGZVFWFLSA-N 0 3 367.457 0.514 50 0 FCAAHN CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]2)c1 ZINC000053254705 533444632 /nfs/dbraw/zinc/44/46/32/533444632.db2.gz ILJRLKPGUNDDLJ-SECBINFHSA-N 0 3 352.865 0.774 50 0 FCAAHN Cc1cc(N2CCN(CC(=O)N3CCOc4ccccc43)CC2)nc(N)n1 ZINC000244882579 132291653 /nfs/dbraw/zinc/29/16/53/132291653.db2.gz XULXLLWAOLTERZ-UHFFFAOYSA-N 0 3 368.441 0.915 50 0 FCAAHN Cn1c2ccc(F)cc2c2ncn(CCCN(CCO)CCO)c(=O)c21 ZINC000002219168 263144784 /nfs/dbraw/zinc/14/47/84/263144784.db2.gz MTEINZPSCKSVKM-UHFFFAOYSA-N 0 3 362.405 0.704 50 0 FCAAHN COC(=O)c1ccc(CNC(=O)[C@H]2CCC(=O)N(CCN(C)C)C2)cc1 ZINC000012001600 487547892 /nfs/dbraw/zinc/54/78/92/487547892.db2.gz YEORAYAOMXIXAE-INIZCTEOSA-N 0 3 361.442 0.890 50 0 FCAAHN COCCN1CCC(CNC(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000023127945 487628358 /nfs/dbraw/zinc/62/83/58/487628358.db2.gz QDLIUIFSANNHSA-UHFFFAOYSA-N 0 3 359.426 0.757 50 0 FCAAHN CN1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000023110401 487628482 /nfs/dbraw/zinc/62/84/82/487628482.db2.gz SSOHDPDTHXDYPB-UHFFFAOYSA-N 0 3 367.471 0.532 50 0 FCAAHN COCCN1CCC(CNC(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000023127340 487628935 /nfs/dbraw/zinc/62/89/35/487628935.db2.gz VVNTVBCNCTVBIS-UHFFFAOYSA-N 0 3 351.422 0.917 50 0 FCAAHN CCC(N)(CC)c1cn(C[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nn1 ZINC000023581126 487637400 /nfs/dbraw/zinc/63/74/00/487637400.db2.gz JUDYPEUDEHNBTB-ZDUSSCGKSA-N 0 3 358.512 0.771 50 0 FCAAHN CN(C)S(=O)(=O)c1ccc(NC(=O)CCN2CCC(O)CC2)cc1 ZINC000032870815 487785760 /nfs/dbraw/zinc/78/57/60/487785760.db2.gz RMGKCGCDCULNCI-UHFFFAOYSA-N 0 3 355.460 0.722 50 0 FCAAHN CCN(CC)Cc1cnc2c(C(=O)NCCN3CCOC3=O)cnn2c1 ZINC000067894224 488357633 /nfs/dbraw/zinc/35/76/33/488357633.db2.gz WFWNVIRQKZGVHV-UHFFFAOYSA-N 0 3 360.418 0.753 50 0 FCAAHN CN1CCN(C(=O)c2ccccc2-c2nnn[n-]2)CC12CC[NH+](C)CC2 ZINC000067896072 488357722 /nfs/dbraw/zinc/35/77/22/488357722.db2.gz RXXCNQWMTAGUOO-UHFFFAOYSA-N 0 3 355.446 0.719 50 0 FCAAHN CCN(CC)Cc1cnc2c(C(=O)NCCN3CCNC3=O)cnn2c1 ZINC000067982305 488358951 /nfs/dbraw/zinc/35/89/51/488358951.db2.gz BZJQBMCHIKFZFL-UHFFFAOYSA-N 0 3 359.434 0.326 50 0 FCAAHN CN(C(=O)Cn1nnnc1N)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000072161055 488378872 /nfs/dbraw/zinc/37/88/72/488378872.db2.gz BMPJILABUIYIGJ-HNNXBMFYSA-N 0 3 355.446 0.346 50 0 FCAAHN Cc1cn(CC(=O)N[C@H]2CCCN(CCc3ccccc3)C2)c(=O)[nH]c1=O ZINC000072161623 488378883 /nfs/dbraw/zinc/37/88/83/488378883.db2.gz JROVDTCHVOVXDE-KRWDZBQOSA-N 0 3 370.453 0.668 50 0 FCAAHN COc1ccc(-n2cccn2)c(CN2CCN[C@H](C(=O)NC3CC3)C2)c1 ZINC000072168188 488379056 /nfs/dbraw/zinc/37/90/56/488379056.db2.gz VEPXQWHHVKBCII-KRWDZBQOSA-N 0 3 355.442 0.933 50 0 FCAAHN COc1ccc(-n2cccn2)c(CN2CCN[C@@H](C(=O)NC3CC3)C2)c1 ZINC000072168189 488379173 /nfs/dbraw/zinc/37/91/73/488379173.db2.gz VEPXQWHHVKBCII-QGZVFWFLSA-N 0 3 355.442 0.933 50 0 FCAAHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000072170108 488379399 /nfs/dbraw/zinc/37/93/99/488379399.db2.gz PDDGGJLBAPKMSW-MRXNPFEDSA-N 0 3 370.453 0.737 50 0 FCAAHN CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NC2CCN(C)CC2)cc1 ZINC000072298596 488379567 /nfs/dbraw/zinc/37/95/67/488379567.db2.gz SSQXGMGPWMWKQJ-UHFFFAOYSA-N 0 3 367.471 0.373 50 0 FCAAHN O=C(CCc1cc2n(n1)CCCNC2)N1CCCO[C@H](Cn2cccn2)C1 ZINC000072418470 488380142 /nfs/dbraw/zinc/38/01/42/488380142.db2.gz ISDOTCVRUMTLPW-SFHVURJKSA-N 0 3 372.473 0.823 50 0 FCAAHN O=C(Cn1ccc(=O)[nH]c1=O)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000072426384 488380531 /nfs/dbraw/zinc/38/05/31/488380531.db2.gz NJNWEIBFKLZPPZ-UHFFFAOYSA-N 0 3 368.437 0.238 50 0 FCAAHN O=C(CCc1cc2n(n1)CCCNC2)N1CCC(N2CCOC2=O)CC1 ZINC000072430349 488380819 /nfs/dbraw/zinc/38/08/19/488380819.db2.gz RVISWUBAUFWMJL-UHFFFAOYSA-N 0 3 361.446 0.752 50 0 FCAAHN CS(=O)(=O)NCC(=O)N[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000072433638 488380925 /nfs/dbraw/zinc/38/09/25/488380925.db2.gz DPZWZXQFAAFHCA-OAHLLOKOSA-N 0 3 351.472 0.284 50 0 FCAAHN Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(CCCC(N)=O)C1 ZINC000072462760 488381320 /nfs/dbraw/zinc/38/13/20/488381320.db2.gz ATXMNNBPGRJCGW-CQSZACIVSA-N 0 3 350.467 0.092 50 0 FCAAHN CN(C)CCN1CC2(CCN(C(=O)c3ccn4nnnc4c3)CC2)OC1=O ZINC000077340376 488411192 /nfs/dbraw/zinc/41/11/92/488411192.db2.gz BALYZOBEOJMKIF-UHFFFAOYSA-N 0 3 373.417 0.113 50 0 FCAAHN O=C(c1scc2c1OCCO2)N1CCOC[C@](O)(CN2CCCC2)C1 ZINC000077357128 488411798 /nfs/dbraw/zinc/41/17/98/488411798.db2.gz TWLFCCNYZMBGLQ-KRWDZBQOSA-N 0 3 368.455 0.819 50 0 FCAAHN COCCN(C)CCN1CC2(CCN(C(=O)c3cc[nH]n3)CC2)OC1=O ZINC000077394045 488412495 /nfs/dbraw/zinc/41/24/95/488412495.db2.gz PMULPSFPCYJBRZ-UHFFFAOYSA-N 0 3 365.434 0.415 50 0 FCAAHN COCCN(C)CCN1CC2(CCN(C(=O)c3ccn[nH]3)CC2)OC1=O ZINC000077394045 488412496 /nfs/dbraw/zinc/41/24/96/488412496.db2.gz PMULPSFPCYJBRZ-UHFFFAOYSA-N 0 3 365.434 0.415 50 0 FCAAHN O=S(=O)([N-]C[C@H]1C[NH2+]CCOC1)c1c(Cl)nc2sccn21 ZINC000077391117 488412760 /nfs/dbraw/zinc/41/27/60/488412760.db2.gz OGBAOQWNTXJCRK-MRVPVSSYSA-N 0 3 350.853 0.564 50 0 FCAAHN Cc1cc(=O)[n-]c(CCNC(=O)c2cn(CC[C@@H]3CCCC[NH2+]3)nn2)n1 ZINC000077471200 488414337 /nfs/dbraw/zinc/41/43/37/488414337.db2.gz DBSVJSROOGXZAA-ZDUSSCGKSA-N 0 3 359.434 0.175 50 0 FCAAHN CC(C)CN1CCCn2nc(CNC(=O)c3ccc(=O)n(C)n3)cc2C1 ZINC000082125954 488445540 /nfs/dbraw/zinc/44/55/40/488445540.db2.gz KSQOYWSPCIAQGW-UHFFFAOYSA-N 0 3 358.446 0.769 50 0 FCAAHN C[C@@H]1CN(C[C@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)C[C@@H](C)O1 ZINC000229655776 488452017 /nfs/dbraw/zinc/45/20/17/488452017.db2.gz WRLROUGXLWISHL-RBSFLKMASA-N 0 3 350.463 0.158 50 0 FCAAHN CN1CCN([C@@H]2CCCCN(C(=O)c3ccc(OCC(N)=O)cc3)C2)CC1 ZINC000089382632 488457313 /nfs/dbraw/zinc/45/73/13/488457313.db2.gz UPFQNUTYARWBDX-QGZVFWFLSA-N 0 3 374.485 0.793 50 0 FCAAHN CS(=O)(=O)N1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000244893094 488462827 /nfs/dbraw/zinc/46/28/27/488462827.db2.gz YVPRJVXLSIPHBA-GOSISDBHSA-N 0 3 367.515 0.855 50 0 FCAAHN CN1CCN(Cc2cnc(N3CCCC3)nc2)C[C@]12CCNC(=O)CC2 ZINC000091644046 488467213 /nfs/dbraw/zinc/46/72/13/488467213.db2.gz MYDJLSLJNIXVOD-IBGZPJMESA-N 0 3 358.490 0.863 50 0 FCAAHN O=C(c1ccc(S(=O)(=O)N[C@@H]2CCOC2)cc1)N1CCCNCC1 ZINC000092045514 488473385 /nfs/dbraw/zinc/47/33/85/488473385.db2.gz SDEKOHNUIAMTLX-CQSZACIVSA-N 0 3 353.444 0.189 50 0 FCAAHN Cc1cccc2nc(CN3CC[C@]4(C3)CCCN(CCO)C4=O)cc(=O)n12 ZINC000092107353 488474300 /nfs/dbraw/zinc/47/43/00/488474300.db2.gz QVICIIZAIWBSNV-FQEVSTJZSA-N 0 3 370.453 0.810 50 0 FCAAHN Cn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)c(=O)[nH]c1=O ZINC000095352221 488480427 /nfs/dbraw/zinc/48/04/27/488480427.db2.gz SPWORAFCHXBHEL-HZPDHXFCSA-N 0 3 368.437 0.810 50 0 FCAAHN O=C(C1CCCC1)N1CC[C@]2(O)CCN(CCCn3cnnn3)C[C@@H]2C1 ZINC000095362504 488481503 /nfs/dbraw/zinc/48/15/03/488481503.db2.gz CSVTWTLAIIQYKV-SJLPKXTDSA-N 0 3 362.478 0.539 50 0 FCAAHN CCOCCCNC(=O)c1cccc(S(=O)(=O)N2CCCNCC2)c1 ZINC000095369620 488481828 /nfs/dbraw/zinc/48/18/28/488481828.db2.gz WKNLPXHOKUTXTQ-UHFFFAOYSA-N 0 3 369.487 0.827 50 0 FCAAHN Cc1cc(=O)[n-]c(NCCNC(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000095374184 488482123 /nfs/dbraw/zinc/48/21/23/488482123.db2.gz LOPBCRNSUGKUFI-CQSZACIVSA-N 0 3 363.462 0.497 50 0 FCAAHN Cc1cc(=O)[n-]c(NCCNC(=O)[C@@H]2CCC[N@H+](C3CCOCC3)C2)n1 ZINC000095374184 488482124 /nfs/dbraw/zinc/48/21/24/488482124.db2.gz LOPBCRNSUGKUFI-CQSZACIVSA-N 0 3 363.462 0.497 50 0 FCAAHN CN(C)CCN1C[C@H](C(=O)N2CCC(Oc3cccnc3)CC2)CC1=O ZINC000095386356 488483679 /nfs/dbraw/zinc/48/36/79/488483679.db2.gz SEZYJYKFAHSLJP-OAHLLOKOSA-N 0 3 360.458 0.862 50 0 FCAAHN CC(=O)Nc1ccc(N2C(=O)C[C@@H](NCCCN3CCOCC3)C2=O)cc1 ZINC000095483048 488484740 /nfs/dbraw/zinc/48/47/40/488484740.db2.gz YXWBYQHBVCKSKG-QGZVFWFLSA-N 0 3 374.441 0.589 50 0 FCAAHN Cc1cccc(Cn2nc(Cn3cncn3)nc2C[C@@H]2CNCCO2)c1 ZINC000096130640 488489627 /nfs/dbraw/zinc/48/96/27/488489627.db2.gz CPXOPWKFNIEYGD-MRXNPFEDSA-N 0 3 353.430 0.806 50 0 FCAAHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000097001906 488491679 /nfs/dbraw/zinc/49/16/79/488491679.db2.gz TXNHXGJQNHPVGG-CQSZACIVSA-N 0 3 372.469 0.916 50 0 FCAAHN Cc1noc([C@H]2CN(C(=O)CN3CCOCC3)CC23CCN(C)CC3)n1 ZINC000097078018 488492309 /nfs/dbraw/zinc/49/23/09/488492309.db2.gz CARZJGYWNBJIIQ-OAHLLOKOSA-N 0 3 363.462 0.348 50 0 FCAAHN COc1ccc(NC(=O)NCCN2CCC[C@@H](C(N)=O)C2)cc1C(N)=O ZINC000097334201 488492793 /nfs/dbraw/zinc/49/27/93/488492793.db2.gz XPPBVEIZHLRNFQ-LLVKDONJSA-N 0 3 363.418 0.113 50 0 FCAAHN Cc1nc(CNC(=O)[C@H]2[C@@H]3CN(Cc4nc5ccccc5[nH]4)C[C@@H]32)n[nH]1 ZINC000102433980 488497741 /nfs/dbraw/zinc/49/77/41/488497741.db2.gz FXTFOVPUNLGVMG-PBKGOJFUSA-N 0 3 351.414 0.984 50 0 FCAAHN Cn1c(CO)nnc1[C@H]1CCCN(CCC(=O)Nc2nccs2)C1 ZINC000252502644 488518388 /nfs/dbraw/zinc/51/83/88/488518388.db2.gz USGPULMEYXSNAH-NSHDSACASA-N 0 3 350.448 0.972 50 0 FCAAHN COCC[C@@H]1CCCCN(CC(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000170597109 488813885 /nfs/dbraw/zinc/81/38/85/488813885.db2.gz VSYXOFNMLKPETF-HNNXBMFYSA-N 0 3 361.508 0.229 50 0 FCAAHN Cc1ccc(N2CCC[C@@H](N[C@H]3CCN(c4cnn(C)c4)C3=O)C2)nn1 ZINC000329517853 489012058 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/nfs/dbraw/zinc/27/45/62/209274562.db2.gz LLNFKKKMXMIRTO-MSOLQXFVSA-N 0 3 370.497 0.755 50 0 FCAAHN Cc1[nH]c(=O)c(C(=O)NCCN2CCC[C@@H](C(N)=O)C2)c(C)c1Cl ZINC000097660573 209191670 /nfs/dbraw/zinc/19/16/70/209191670.db2.gz FOTWWTDJXWPFQN-LLVKDONJSA-N 0 3 354.838 0.572 50 0 FCAAHN Cc1cccc(Cn2nc(Cn3cncn3)nc2C[C@H]2CNCCO2)c1 ZINC000096130641 209115941 /nfs/dbraw/zinc/11/59/41/209115941.db2.gz CPXOPWKFNIEYGD-INIZCTEOSA-N 0 3 353.430 0.806 50 0 FCAAHN CC1=NN(CCN2CCCCC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 ZINC000005147971 207082973 /nfs/dbraw/zinc/08/29/73/207082973.db2.gz BEPFHQRKXIWAQZ-UHFFFAOYSA-N 0 3 359.434 0.116 50 0 FCAAHN CCOC(=O)c1nn(CCN(C)C)c2c1CN(Cc1cnn(C)c1)CC2 ZINC000020598597 207747188 /nfs/dbraw/zinc/74/71/88/207747188.db2.gz FLTSOIXFLMBYTP-UHFFFAOYSA-N 0 3 360.462 0.913 50 0 FCAAHN CN(C)CCNC(=O)COCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000032987648 208064082 /nfs/dbraw/zinc/06/40/82/208064082.db2.gz LDMDBVOYMZRTRU-UHFFFAOYSA-N 0 3 363.443 0.985 50 0 FCAAHN CCN1CCC[C@H]1CNC(=O)c1nc(CC(=O)Nc2cc(C)on2)no1 ZINC000040286929 208244766 /nfs/dbraw/zinc/24/47/66/208244766.db2.gz DXRPQUOFBRAAOE-NSHDSACASA-N 0 3 362.390 0.761 50 0 FCAAHN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCN(C)C)C1 ZINC000041209626 208284850 /nfs/dbraw/zinc/28/48/50/208284850.db2.gz HQUAVBWCJSKFFN-ZDUSSCGKSA-N 0 3 358.464 0.370 50 0 FCAAHN CN(C)CCn1ccc(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)n1 ZINC000075572919 208889957 /nfs/dbraw/zinc/88/99/57/208889957.db2.gz HBUSTRWTZYXMPL-HNNXBMFYSA-N 0 3 369.429 0.503 50 0 FCAAHN CN1CCN(C[C@@H]2CN(c3nc4ccccc4n3CCO)C[C@@H]2CO)CC1 ZINC000091914930 209004501 /nfs/dbraw/zinc/00/45/01/209004501.db2.gz YQZVZNFWMOVMOT-IAGOWNOFSA-N 0 3 373.501 0.321 50 0 FCAAHN CN1CCN(Cc2cccc(OCC(N)=O)c2)C[C@]12CCNC(=O)CC2 ZINC000091943102 209005358 /nfs/dbraw/zinc/00/53/58/209005358.db2.gz FQEWXJUFXNKTNW-IBGZPJMESA-N 0 3 360.458 0.337 50 0 FCAAHN O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CNC[C@H](C(=O)N2CCCC2)C1 ZINC000095352614 209023198 /nfs/dbraw/zinc/02/31/98/209023198.db2.gz ZQQDRJASDBTPCA-HZPDHXFCSA-N 0 3 373.453 0.922 50 0 FCAAHN Cc1nnc(C2CCN(C(=O)[C@H]3CNC[C@H](C(=O)N4CCCC4)C3)CC2)[nH]1 ZINC000095353797 209024691 /nfs/dbraw/zinc/02/46/91/209024691.db2.gz FHFPFGNLBXDPFZ-HZPDHXFCSA-N 0 3 374.489 0.667 50 0 FCAAHN CNCCN(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](COC)C2)c1 ZINC000095353984 209025233 /nfs/dbraw/zinc/02/52/33/209025233.db2.gz VCZCQBYZKIHHPS-CQSZACIVSA-N 0 3 369.487 0.635 50 0 FCAAHN Cc1ccc2c(c1)c(CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)nn2C ZINC000095388442 209046141 /nfs/dbraw/zinc/04/61/41/209046141.db2.gz VDYKNAXVBBNOPN-CQSZACIVSA-N 0 3 357.458 0.908 50 0 FCAAHN CN1CCN(C[C@@H]2CN(C(=O)COc3ccc(F)cc3)C[C@@H]2CO)CC1 ZINC000095371509 209035099 /nfs/dbraw/zinc/03/50/99/209035099.db2.gz AASDZMBCOBBJGH-HZPDHXFCSA-N 0 3 365.449 0.519 50 0 FCAAHN Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000095370953 209035587 /nfs/dbraw/zinc/03/55/87/209035587.db2.gz QCUVERYFFGSCKL-INIZCTEOSA-N 0 3 359.478 0.572 50 0 FCAAHN 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0 FCAAHN O[C@@H](COc1cccc(CNCCc2cnccn2)c1)CN1CCOCC1 ZINC000023337631 487633787 /nfs/dbraw/zinc/63/37/87/487633787.db2.gz HTJVRSIOIMYVTC-LJQANCHMSA-N 0 3 372.469 0.881 50 0 FCAAHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc(=O)n(C)c(=O)n1C ZINC000057399165 488271208 /nfs/dbraw/zinc/27/12/08/488271208.db2.gz DFPVHRYULDWKJV-ZDUSSCGKSA-N 0 3 354.414 0.858 50 0 FCAAHN CN1CCCN(CC(=O)NC[C@@H](c2cccnc2)N2CCOCC2)CC1 ZINC000065492364 488318565 /nfs/dbraw/zinc/31/85/65/488318565.db2.gz QSUICVUEYGFHTN-SFHVURJKSA-N 0 3 361.490 0.209 50 0 FCAAHN CC(C)[C@@H](C)NC(=O)N1CCn2nc(C(=O)NCCN(C)C)cc2C1 ZINC000065527306 488319018 /nfs/dbraw/zinc/31/90/18/488319018.db2.gz DEBWVNLMUOYHEZ-CYBMUJFWSA-N 0 3 350.467 0.744 50 0 FCAAHN Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)N(C)C)CC2)n1 ZINC000067612152 488353503 /nfs/dbraw/zinc/35/35/03/488353503.db2.gz RGRSPJVPLOWIPY-UHFFFAOYSA-N 0 3 354.480 0.314 50 0 FCAAHN CCN(CC)Cc1cnc2c(C(=O)N3CC[C@@H](NC(C)=O)C3)cnn2c1 ZINC000067847767 488356969 /nfs/dbraw/zinc/35/69/69/488356969.db2.gz 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