smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccccn4)n3C)cc2)nc(C)n1 ZINC000002355692 552101010 /nfs/dbraw/zinc/10/10/10/552101010.db2.gz VPNFMUQCOORHRE-UHFFFAOYSA-N 0 2 510.605 2.816 40 0 KFABLN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000003261216 552326362 /nfs/dbraw/zinc/32/63/62/552326362.db2.gz ASGXBXNQOGOPBY-UHFFFAOYSA-N 0 2 522.630 2.526 40 0 KFABLN COc1ccccc1N1CCN(C(=O)[C@H]2C[NH+]3CC[C@@H]2C[C@@H]3Cn2cc(C[N@H+](C)Cc3ccccc3)nn2)CC1 ZINC000008254027 1059004417 /nfs/dbraw/zinc/00/44/17/1059004417.db2.gz HNWHIKFOCPGCJE-KZQOYIJHSA-N 0 2 543.716 2.978 40 0 biogenic,in-vitro KFABLN COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000008635629 560210422 /nfs/dbraw/zinc/21/04/22/560210422.db2.gz MHULCISMAKAJNV-RJGXRXQPSA-N 0 2 514.692 2.515 40 0 biogenic,in-vitro KFABLN Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)S(=O)(=O)N(C)C)c1 ZINC000009694799 553299648 /nfs/dbraw/zinc/29/96/48/553299648.db2.gz TZZKYPNLDGJGMF-UHFFFAOYSA-N 0 2 523.662 2.812 40 0 KFABLN O=S(=O)(Nc1ccc(Br)c2cccnc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009968608 553321427 /nfs/dbraw/zinc/32/14/27/553321427.db2.gz XHKCQIDPLQOLJQ-UHFFFAOYSA-N 0 2 512.407 2.819 40 0 KFABLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1 ZINC000013983334 553498803 /nfs/dbraw/zinc/49/88/03/553498803.db2.gz IELPGEMRMWNPOE-UHFFFAOYSA-N 0 2 503.562 2.600 40 0 KFABLN CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)S(C)(=O)=O)c1 ZINC000014153618 553503487 /nfs/dbraw/zinc/50/34/87/553503487.db2.gz VHIDTFHXPGALOK-UHFFFAOYSA-N 0 2 508.603 2.551 40 0 KFABLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(N)=O ZINC000015230409 553529928 /nfs/dbraw/zinc/52/99/28/553529928.db2.gz FHZLWLUHHFWSJS-FYJGNVAPSA-N 0 2 501.495 2.805 40 0 KFABLN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1N ZINC000016756053 553581242 /nfs/dbraw/zinc/58/12/42/553581242.db2.gz TXCBVADQCWHOBD-UHFFFAOYSA-N 0 2 517.618 2.656 40 0 KFABLN Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)cc2)n1 ZINC000019931589 553635058 /nfs/dbraw/zinc/63/50/58/553635058.db2.gz OODNQBSULPIEOX-UHFFFAOYSA-N 0 2 501.590 2.822 40 0 KFABLN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1C(=O)NC(C)C ZINC000020485652 553658847 /nfs/dbraw/zinc/65/88/47/553658847.db2.gz DXHHZGKKSXKHDQ-UHFFFAOYSA-N 0 2 519.605 2.533 40 0 KFABLN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)n1 ZINC000020490086 553660400 /nfs/dbraw/zinc/66/04/00/553660400.db2.gz YUCSGYHJNFINDH-UHFFFAOYSA-N 0 2 501.590 2.822 40 0 KFABLN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C(=O)N1CCCC1 ZINC000022519002 553743823 /nfs/dbraw/zinc/74/38/23/553743823.db2.gz UPZDUHFRNVYGNN-UHFFFAOYSA-N 0 2 516.601 2.928 40 0 KFABLN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1C(=O)NC(C)C ZINC000026112321 553815644 /nfs/dbraw/zinc/81/56/44/553815644.db2.gz WAEYPEVSHCTNKA-UHFFFAOYSA-N 0 2 510.619 2.892 40 0 KFABLN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000026114183 553816164 /nfs/dbraw/zinc/81/61/64/553816164.db2.gz LJVASNSGQBNHBQ-UHFFFAOYSA-N 0 2 507.615 2.822 40 0 KFABLN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1N1CCCC1=O ZINC000030873700 553860544 /nfs/dbraw/zinc/86/05/44/553860544.db2.gz LQTXIOPSNUCSEX-UHFFFAOYSA-N 0 2 508.603 2.880 40 0 KFABLN COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)cc1 ZINC000034199141 291765393 /nfs/dbraw/zinc/76/53/93/291765393.db2.gz NGMYNFJANBHLKA-XAPMVYOVSA-N 0 2 514.527 2.595 40 0 biogenic,in-vivo KFABLN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1I ZINC000059852667 554452102 /nfs/dbraw/zinc/45/21/02/554452102.db2.gz CJSFWFMDRCTWJU-UHFFFAOYSA-N 0 2 545.380 3.296 40 0 KFABLN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1C(=O)N1CCCC1 ZINC000059853375 554454015 /nfs/dbraw/zinc/45/40/15/554454015.db2.gz XGGHWWZYSBJILI-UHFFFAOYSA-N 0 2 531.616 2.631 40 0 KFABLN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000060018602 554489941 /nfs/dbraw/zinc/48/99/41/554489941.db2.gz ZTQOUHFPDREXQP-UHFFFAOYSA-N 0 2 544.655 3.564 40 0 KFABLN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1N1CCCC1=O ZINC000060060704 554500397 /nfs/dbraw/zinc/50/03/97/554500397.db2.gz QNYPWSPUTQDKPG-UHFFFAOYSA-N 0 2 531.616 2.830 40 0 KFABLN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1C(=O)N1CCCC1 ZINC000060061033 554501743 /nfs/dbraw/zinc/50/17/43/554501743.db2.gz SFDMTGRAQVVSNO-UHFFFAOYSA-N 0 2 545.643 2.940 40 0 KFABLN CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000085565754 553684245 /nfs/dbraw/zinc/68/42/45/553684245.db2.gz BOMYCHBQXOKSLT-SDHOMARFSA-N 0 2 549.628 2.590 40 0 KFABLN CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000085565754 553684242 /nfs/dbraw/zinc/68/42/42/553684242.db2.gz BOMYCHBQXOKSLT-SDHOMARFSA-N 0 2 549.628 2.590 40 0 KFABLN CC(=O)N[C@H]1[C@@H](Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000098044708 554129215 /nfs/dbraw/zinc/12/92/15/554129215.db2.gz AUZCUOOUVRHFOF-MDMHHNQBSA-N 0 2 559.412 2.759 40 0 KFABLN Cc1ccc(-n2c(O)c(C(c3ccncc3)c3c(O)n(-c4ccc(C)cc4)c(=O)[nH]c3=O)c(=O)[nH]c2=O)cc1 ZINC000100313815 554302110 /nfs/dbraw/zinc/30/21/10/554302110.db2.gz VHHSZSIZEYUING-FRIKZZABSA-N 0 2 525.521 2.580 40 0 KFABLN Cc1nn2c(nc(O)c(C(c3ccc(Br)cc3)c3c(O)nc4sc(C)nn4c3=O)c2=O)s1 ZINC000100547132 554414376 /nfs/dbraw/zinc/41/43/76/554414376.db2.gz FRLXDIWVRYCPCT-UHFFFAOYSA-N 0 2 533.389 2.586 40 0 KFABLN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)nc(C)n4)cc3)n2N)cc1 ZINC000100884860 554508373 /nfs/dbraw/zinc/50/83/73/554508373.db2.gz STCJKPNYFYZBHJ-UHFFFAOYSA-N 0 2 554.658 2.996 40 0 KFABLN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)nc(C)n4)cc3)n2N)cc1 ZINC000100976881 554546952 /nfs/dbraw/zinc/54/69/52/554546952.db2.gz NGBHLMDDNDUIAP-UHFFFAOYSA-N 0 2 540.631 2.606 40 0 KFABLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccccc4C)n3N)cc2)nc(C)n1 ZINC000100977174 554547217 /nfs/dbraw/zinc/54/72/17/554547217.db2.gz FJRBZWSRZGMZON-UHFFFAOYSA-N 0 2 524.632 2.906 40 0 KFABLN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)n1N ZINC000100977398 554547207 /nfs/dbraw/zinc/54/72/07/554547207.db2.gz WLQFDDWENFKJRA-UHFFFAOYSA-N 0 2 540.631 2.606 40 0 KFABLN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)nc(C)n4)cc3)n2N)cc1OC ZINC000100977444 554547246 /nfs/dbraw/zinc/54/72/46/554547246.db2.gz YGNDMLSBILJFTI-UHFFFAOYSA-N 0 2 570.657 2.615 40 0 KFABLN COc1cc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)nc(C)n4)cc3)n2N)cc(OC)c1OC ZINC000100977513 554547238 /nfs/dbraw/zinc/54/72/38/554547238.db2.gz LTQLKPQPLUAGQM-UHFFFAOYSA-N 0 2 600.683 2.623 40 0 KFABLN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)S/C(=C\c4ccccc4)C3=O)cc2)nn1 ZINC000101001361 554552213 /nfs/dbraw/zinc/55/22/13/554552213.db2.gz CAFCGZJKYNEVDL-AQTBWJFISA-N 0 2 525.568 2.961 40 0 KFABLN CCOC(=O)N[C@](C(=O)OCC)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)C(F)(F)F ZINC000103567466 555450372 /nfs/dbraw/zinc/45/03/72/555450372.db2.gz MGALSPDJAJLEKT-XMMPIXPASA-N 0 2 572.512 2.864 40 0 KFABLN CCOC(=O)N[C@@](C(=O)OCC)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)C(F)(F)F ZINC000103567471 555450406 /nfs/dbraw/zinc/45/04/06/555450406.db2.gz MGALSPDJAJLEKT-DEOSSOPVSA-N 0 2 572.512 2.864 40 0 KFABLN O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1C(c1ccccn1)c1c(=O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1O ZINC000103770562 555474826 /nfs/dbraw/zinc/47/48/26/555474826.db2.gz MGHIXVIWHPEIAR-UHFFFAOYSA-N 0 2 566.357 2.658 40 0 KFABLN O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1C(c1ccccn1)c1c(=O)[nH]c(=O)n(-c2cccc(Cl)c2)c1O ZINC000103770575 555474844 /nfs/dbraw/zinc/47/48/44/555474844.db2.gz BXKVYFXWBASOGI-UHFFFAOYSA-N 0 2 566.357 2.658 40 0 KFABLN CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc2c(c1)OCCO2 ZINC000112256357 571437593 /nfs/dbraw/zinc/43/75/93/571437593.db2.gz UGCKWYHYKMHRFS-UHFFFAOYSA-N 0 2 538.629 2.510 40 0 KFABLN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1I ZINC000139675332 571453303 /nfs/dbraw/zinc/45/33/03/571453303.db2.gz MIWMIMZSIBNALO-UHFFFAOYSA-N 0 2 546.368 2.691 40 0 KFABLN O=c1[nH]c(=O)n(-c2ccc(Br)cc2)c(O)c1C(c1ccccn1)c1c(=O)[nH]c(=O)n(-c2ccc(Br)cc2)c1O ZINC000163565558 571536696 /nfs/dbraw/zinc/53/66/96/571536696.db2.gz IWMFBQDBCMDUGW-UHFFFAOYSA-N 0 2 655.259 2.876 40 0 KFABLN O=c1[nH]c(=O)n(-c2ccc(I)cc2)c(O)c1C(c1ccccn1)c1c(=O)[nH]c(=O)n(-c2ccc(I)cc2)c1O ZINC000163565694 571536682 /nfs/dbraw/zinc/53/66/82/571536682.db2.gz FMWREPSAFAOXKG-UHFFFAOYSA-N 0 2 749.259 2.561 40 0 KFABLN CO[C@@H]1C[C@H](O[C@H]2CC[C@H](O[C@@H]3C[C@H](O)c4c(=O)c5c(O)c6c7c(c5oc4[C@H]3O)OCO[C@@H]7Cc3cc4c(c(O)c3-6)C(=O)N3CCO[C@]3(C)C4)O[C@@H]2C)O[C@H](C)[C@H]1O ZINC000169742150 571559937 /nfs/dbraw/zinc/55/99/37/571559937.db2.gz JXSADZFORZMJRI-KUPVXKSBSA-N 0 2 809.818 2.856 40 0 in-vitro KFABLN CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000196339037 571564108 /nfs/dbraw/zinc/56/41/08/571564108.db2.gz BOMYCHBQXOKSLT-SDHSZQHLSA-N 0 2 549.628 2.590 40 0 KFABLN CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000196339037 571564107 /nfs/dbraw/zinc/56/41/07/571564107.db2.gz BOMYCHBQXOKSLT-SDHSZQHLSA-N 0 2 549.628 2.590 40 0 KFABLN CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000196339054 571564100 /nfs/dbraw/zinc/56/41/00/571564100.db2.gz BOMYCHBQXOKSLT-DSITVLBTSA-N 0 2 549.628 2.590 40 0 KFABLN CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000196339054 571564099 /nfs/dbraw/zinc/56/40/99/571564099.db2.gz BOMYCHBQXOKSLT-DSITVLBTSA-N 0 2 549.628 2.590 40 0 KFABLN O=C(CN1C(=O)S/C(=C/c2cc(Br)c(O)c(Br)c2)C1=O)N1CCOCC1 ZINC000214303356 571578343 /nfs/dbraw/zinc/57/83/43/571578343.db2.gz NMLMPIDOOFAPMQ-KPKJPENVSA-N 0 2 506.172 2.812 40 0 KFABLN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1C(=O)NC(C)C ZINC000215898334 571586836 /nfs/dbraw/zinc/58/68/36/571586836.db2.gz UVWDWWUFXWONEA-UHFFFAOYSA-N 0 2 533.632 2.842 40 0 KFABLN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1C(=O)N1CCCCC1 ZINC000215912759 571587323 /nfs/dbraw/zinc/58/73/23/571587323.db2.gz YJLACRRITWMONR-UHFFFAOYSA-N 0 2 531.616 2.713 40 0 KFABLN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000215914731 571587526 /nfs/dbraw/zinc/58/75/26/571587526.db2.gz RVOLEBPWOUVBGF-UHFFFAOYSA-N 0 2 545.643 2.959 40 0 KFABLN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)Oc2ccc(Cl)cc21 ZINC000216332136 571594766 /nfs/dbraw/zinc/59/47/66/571594766.db2.gz KFEHNXFJZBQBKN-KRWDZBQOSA-N 0 2 529.021 2.763 40 0 KFABLN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)Oc2ccc(Cl)cc21 ZINC000216332182 571594741 /nfs/dbraw/zinc/59/47/41/571594741.db2.gz KFEHNXFJZBQBKN-QGZVFWFLSA-N 0 2 529.021 2.763 40 0 KFABLN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1N1CCCC1=O ZINC000216420814 571595858 /nfs/dbraw/zinc/59/58/58/571595858.db2.gz QVVWUJYREBUXOI-UHFFFAOYSA-N 0 2 517.589 2.522 40 0 KFABLN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1I ZINC000216440679 571596489 /nfs/dbraw/zinc/59/64/89/571596489.db2.gz LZKVZLXBFPRURV-UHFFFAOYSA-N 0 2 560.395 3.000 40 0 KFABLN COc1cccc(-c2noc(CNS(=O)(=O)c3nnc(NC(=O)c4ccccc4Cl)s3)n2)c1 ZINC000222613709 571376761 /nfs/dbraw/zinc/37/67/61/571376761.db2.gz OXBMILBJTLBHIJ-UHFFFAOYSA-N 0 2 506.953 2.981 40 0 KFABLN COC(=O)CSc1nnc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)s1 ZINC000223262939 571452220 /nfs/dbraw/zinc/45/22/20/571452220.db2.gz GHJNEILNNTXAPI-UHFFFAOYSA-N 0 2 502.665 2.952 40 0 KFABLN CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 ZINC000224233659 571502854 /nfs/dbraw/zinc/50/28/54/571502854.db2.gz ZBHZOLATLPOCGP-UHFFFAOYSA-N 0 2 509.631 2.608 40 0 KFABLN COc1cccc(-c2noc(CNS(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4)s3)n2)c1 ZINC000224536903 571569105 /nfs/dbraw/zinc/56/91/05/571569105.db2.gz YHBUEGPZHPYYDH-UHFFFAOYSA-N 0 2 506.953 2.981 40 0 KFABLN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)c1 ZINC000225080506 571645143 /nfs/dbraw/zinc/64/51/43/571645143.db2.gz YBRMGVZHNBCPPC-UHFFFAOYSA-N 0 2 545.595 2.959 40 0 KFABLN COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)c(OC)c1 ZINC000225081510 571645428 /nfs/dbraw/zinc/64/54/28/571645428.db2.gz WTPFYDVHUMRBOE-UHFFFAOYSA-N 0 2 545.595 2.959 40 0 KFABLN COC(=O)CSc1nnc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)s1 ZINC000225243558 571661886 /nfs/dbraw/zinc/66/18/86/571661886.db2.gz SYTWDZIVDRAKCH-UHFFFAOYSA-N 0 2 500.624 2.629 40 0 KFABLN COc1ccc(-c2noc(CNS(=O)(=O)c3nnc(NC(=O)c4ccccc4Cl)s3)n2)cc1 ZINC000225429573 571797089 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