smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(/C=C/CNCCS(C)(=O)=O)cc1 ZINC000835037259 936715085 /nfs/dbraw/zinc/71/50/85/936715085.db2.gz PHVOGMIGTBXTCD-SNAWJCMRSA-N 0 1 282.409 1.400 10 10 CDCEMN [O-]c1ccc(Cl)cc1C[NH2+]CCOCCCO ZINC001323748660 960950641 /nfs/dbraw/zinc/95/06/41/960950641.db2.gz PSJKOXYFTXMPKO-UHFFFAOYSA-N 0 1 259.733 1.534 10 10 CDCEMN O=C(C1=CC(=O)CS1)N1CCC[C@@H](Cc2nn[nH]n2)C1 ZINC001349211536 966292194 /nfs/dbraw/zinc/29/21/94/966292194.db2.gz IBQAJDKXZFFRSO-QMMMGPOBSA-N 0 1 293.352 1.062 10 10 CDCEMN Cc1cc(Cl)cc(CN2CC[C@@H](NC(N)=O)C2)c1O ZINC000271793196 364999520 /nfs/dbraw/zinc/99/95/20/364999520.db2.gz GZMXPFWOULKKFX-LLVKDONJSA-N 0 1 283.759 1.597 10 10 CDCEMN CN1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1=O ZINC000295397966 378672875 /nfs/dbraw/zinc/67/28/75/378672875.db2.gz QJYMPIWYZBEANS-NSHDSACASA-N 0 1 286.734 1.847 10 10 CDCEMN Oc1c(F)cc(F)cc1CN1CC[C@@H](O)C(F)(F)C1 ZINC000895251254 619495926 /nfs/dbraw/zinc/49/59/26/619495926.db2.gz UIIXLPSEXZPWFE-SNVBAGLBSA-N 0 1 279.233 1.872 10 10 CDCEMN COC(=O)[C@@H](CF)NCc1c(O)ccc(Cl)c1F ZINC000809778880 677764197 /nfs/dbraw/zinc/76/41/97/677764197.db2.gz ZEOSKYNODVPYFO-MRVPVSSYSA-N 0 1 279.670 1.785 10 10 CDCEMN CNC(=O)[C@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000817414531 677889060 /nfs/dbraw/zinc/88/90/60/677889060.db2.gz HFHPGOSJSWFHAI-JTQLQIEISA-N 0 1 282.771 1.922 10 10 CDCEMN CNC(=O)[C@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000817414531 677889062 /nfs/dbraw/zinc/88/90/62/677889062.db2.gz HFHPGOSJSWFHAI-JTQLQIEISA-N 0 1 282.771 1.922 10 10 CDCEMN C[C@@H]1C(=O)N(C)CN1Cc1cccc(Cl)c1O ZINC000843435992 678236283 /nfs/dbraw/zinc/23/62/83/678236283.db2.gz YOSDXNZALMZEIK-MRVPVSSYSA-N 0 1 254.717 1.666 10 10 CDCEMN Cn1cnc(CCC[NH2+]Cc2c([O-])cccc2Cl)n1 ZINC000842737994 678590689 /nfs/dbraw/zinc/59/06/89/678590689.db2.gz XDYSZDDLOKLQOJ-UHFFFAOYSA-N 0 1 280.759 1.897 10 10 CDCEMN CN(C)c1ccc(/C=C\CN2CCN(CCO)CC2)cc1 ZINC000103862420 678937386 /nfs/dbraw/zinc/93/73/86/678937386.db2.gz BLNJDOKGLUEBKJ-ARJAWSKDSA-N 0 1 289.423 1.376 10 10 CDCEMN CN1CCC2(CC1)CN(C(=O)C1=CC(=O)CS1)CCO2 ZINC000844153950 678963662 /nfs/dbraw/zinc/96/36/62/678963662.db2.gz PPJURYBAFCUIDU-UHFFFAOYSA-N 0 1 296.392 1.391 10 10 CDCEMN CCON(C)C(=O)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826140002 679462764 /nfs/dbraw/zinc/46/27/64/679462764.db2.gz UTLSJGLGWOPEQZ-UHFFFAOYSA-N 0 1 286.759 1.854 10 10 CDCEMN CC(C)[N@H+](Cc1cccc(Cl)c1[O-])C[C@H](O)CO ZINC000817417377 679639841 /nfs/dbraw/zinc/63/98/41/679639841.db2.gz DSZFKZJHZWWHMK-NSHDSACASA-N 0 1 273.760 1.609 10 10 CDCEMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](CO)[C@H]2C)c1[O-] ZINC000386308942 1161062786 /nfs/dbraw/zinc/06/27/86/1161062786.db2.gz SEHHBLRIWUCVRJ-KOLCDFICSA-N 0 1 281.327 1.937 10 10 CDCEMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c1[O-] ZINC000386308942 1161062791 /nfs/dbraw/zinc/06/27/91/1161062791.db2.gz SEHHBLRIWUCVRJ-KOLCDFICSA-N 0 1 281.327 1.937 10 10 CDCEMN C[C@@H](Cc1cnc[nH]1)C(=O)NCc1cc(O)ccc1O ZINC001176755208 914262489 /nfs/dbraw/zinc/26/24/89/914262489.db2.gz NLWVAFBLXXNSBI-VIFPVBQESA-N 0 1 275.308 1.316 10 10 CDCEMN CN(C)c1ccc(CNC(=O)c2[nH]ncc2F)cc1F ZINC001442474223 965081810 /nfs/dbraw/zinc/08/18/10/965081810.db2.gz MUWMBJXEHYNXKT-UHFFFAOYSA-N 0 1 280.278 1.684 10 10 CDCEMN CC[C@H]1CN(C)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001569545928 1169917802 /nfs/dbraw/zinc/91/78/02/1169917802.db2.gz ZICRCOQVZLOYLF-LBPRGKRZSA-N 0 1 278.352 1.193 10 10 CDCEMN c1[nH]nnc1CNCc1ccc(N2CCCC2)cc1 ZINC000398411009 1160106766 /nfs/dbraw/zinc/10/67/66/1160106766.db2.gz QWWKKJFBDKJZJX-UHFFFAOYSA-N 0 1 257.341 1.695 10 10 CDCEMN O=C1C[C@@]2(CC[N@@H+](Cc3c([O-])cccc3Cl)C2)CN1 ZINC000278988830 527025850 /nfs/dbraw/zinc/02/58/50/527025850.db2.gz AGFYTJAXKULETK-AWEZNQCLSA-N 0 1 280.755 1.758 10 10 CDCEMN O=C1C[C@@]2(CC[N@H+](Cc3c([O-])cccc3Cl)C2)CN1 ZINC000278988830 527025858 /nfs/dbraw/zinc/02/58/58/527025858.db2.gz AGFYTJAXKULETK-AWEZNQCLSA-N 0 1 280.755 1.758 10 10 CDCEMN CCNC(=O)[C@@H](C)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840876787 618131362 /nfs/dbraw/zinc/13/13/62/618131362.db2.gz OEFFPLHJPCYIPN-SECBINFHSA-N 0 1 270.760 1.968 10 10 CDCEMN CC1(C)CC(=O)NCCN1Cc1cc(F)ccc1O ZINC000895399470 619638488 /nfs/dbraw/zinc/63/84/88/619638488.db2.gz CWRICNQJFDLOHC-UHFFFAOYSA-N 0 1 266.316 1.632 10 10 CDCEMN Cc1cc([O-])c(C[NH2+][C@H]2CCCNC2=O)c(Cl)c1 ZINC000840949856 682595000 /nfs/dbraw/zinc/59/50/00/682595000.db2.gz BDLLTMSEYAJNGD-NSHDSACASA-N 0 1 268.744 1.722 10 10 CDCEMN Cc1cc(O)c(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1C ZINC000844741779 679751421 /nfs/dbraw/zinc/75/14/21/679751421.db2.gz NWXOATNXEBSYCC-LXIYXOSZSA-N 0 1 265.378 1.714 10 10 CDCEMN C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703517399 679769537 /nfs/dbraw/zinc/76/95/37/679769537.db2.gz KEJXPZKTWHNAIG-QMMMGPOBSA-N 0 1 293.335 1.535 10 10 CDCEMN C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703517399 679769538 /nfs/dbraw/zinc/76/95/38/679769538.db2.gz KEJXPZKTWHNAIG-QMMMGPOBSA-N 0 1 293.335 1.535 10 10 CDCEMN CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703555985 679769543 /nfs/dbraw/zinc/76/95/43/679769543.db2.gz MXBXWYQFMDJCSV-MRVPVSSYSA-N 0 1 272.295 1.484 10 10 CDCEMN COC(=O)[C@]1(OC)CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000862475583 679773462 /nfs/dbraw/zinc/77/34/62/679773462.db2.gz PCECPMMICFNUDH-AWEZNQCLSA-N 0 1 299.754 1.810 10 10 CDCEMN COC(=O)[C@]1(OC)CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000862475583 679773464 /nfs/dbraw/zinc/77/34/64/679773464.db2.gz PCECPMMICFNUDH-AWEZNQCLSA-N 0 1 299.754 1.810 10 10 CDCEMN CNC(=O)C1CN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000839144385 682060292 /nfs/dbraw/zinc/06/02/92/682060292.db2.gz TVAHKTNSEDFUOG-SNAWJCMRSA-N 0 1 273.380 1.444 10 10 CDCEMN CNC(=O)[C@@H]1CCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835026243 682388783 /nfs/dbraw/zinc/38/87/83/682388783.db2.gz SSYWKQHTBXLFDH-NBUZRDOWSA-N 0 1 287.407 1.976 10 10 CDCEMN C[C@H](NCc1cc2c(cc1O)OCO2)c1nccn1C ZINC000850410407 682398034 /nfs/dbraw/zinc/39/80/34/682398034.db2.gz SZVPLDVJYJFXBM-VIFPVBQESA-N 0 1 275.308 1.705 10 10 CDCEMN CCNC(=O)C1CN(Cc2ccc(N(C)C)cc2)C1 ZINC000839139931 682496301 /nfs/dbraw/zinc/49/63/01/682496301.db2.gz ZJJSUMNQPSEWDZ-UHFFFAOYSA-N 0 1 261.369 1.321 10 10 CDCEMN COc1cccc(O)c1CN1CCO[C@@]2(CCCOC2)C1 ZINC000809687387 682841637 /nfs/dbraw/zinc/84/16/37/682841637.db2.gz XXYAJRWNXTXBLZ-INIZCTEOSA-N 0 1 293.363 1.782 10 10 CDCEMN CCCN(C)S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000775289591 682851598 /nfs/dbraw/zinc/85/15/98/682851598.db2.gz XEBSLCZMQOFYOV-UHFFFAOYSA-N 0 1 289.313 1.299 10 10 CDCEMN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(O)cn1 ZINC001623579493 1165779506 /nfs/dbraw/zinc/77/95/06/1165779506.db2.gz BHJXAJYZRJNCJE-UHFFFAOYSA-N 0 1 293.319 1.909 10 10 CDCEMN O=C(Cc1ccc(O)c(O)c1)Nc1nc(C2CCC2)n[nH]1 ZINC001624702536 1165859300 /nfs/dbraw/zinc/85/93/00/1165859300.db2.gz WXYAMYBFJQQSOT-UHFFFAOYSA-N 0 1 288.307 1.665 10 10 CDCEMN O=C(Cc1ccc(O)c(O)c1)Nc1n[nH]c(C2CCC2)n1 ZINC001624702536 1165859306 /nfs/dbraw/zinc/85/93/06/1165859306.db2.gz WXYAMYBFJQQSOT-UHFFFAOYSA-N 0 1 288.307 1.665 10 10 CDCEMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC(CO)(CO)C1 ZINC000827474610 936594301 /nfs/dbraw/zinc/59/43/01/936594301.db2.gz GIUITHYAYNBNPQ-UHFFFAOYSA-N 0 1 271.744 1.222 10 10 CDCEMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC(CO)(CO)C1 ZINC000827474610 936594302 /nfs/dbraw/zinc/59/43/02/936594302.db2.gz GIUITHYAYNBNPQ-UHFFFAOYSA-N 0 1 271.744 1.222 10 10 CDCEMN NC(=O)N=Nc1ccc(C(=O)NCc2cnc[nH]2)cc1 ZINC001136880375 931449888 /nfs/dbraw/zinc/44/98/88/931449888.db2.gz PAKFVPGBBBBSMI-UHFFFAOYSA-N 0 1 272.268 1.502 10 10 CDCEMN COc1cccc(CN(C)C[C@H]2CCS(=O)(=O)C2)c1O ZINC000769468235 576356620 /nfs/dbraw/zinc/35/66/20/576356620.db2.gz FBUULNUJCPCQHB-LLVKDONJSA-N 0 1 299.392 1.267 10 10 CDCEMN CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3C[C@@H]32)cc1 ZINC000761093179 576546927 /nfs/dbraw/zinc/54/69/27/576546927.db2.gz NEKKZRGVIPYJFP-HIFRSBDPSA-N 0 1 273.380 1.463 10 10 CDCEMN C[C@@H]1CC(=O)NCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835054594 685813534 /nfs/dbraw/zinc/81/35/34/685813534.db2.gz WMHJDGQUASHREX-ISZGNANSSA-N 0 1 287.407 1.976 10 10 CDCEMN CCOc1ccc(CNCc2cc(C(N)=O)co2)c(O)c1 ZINC000778202733 685948616 /nfs/dbraw/zinc/94/86/16/685948616.db2.gz XGIJOSLYMOTHRO-UHFFFAOYSA-N 0 1 290.319 1.773 10 10 CDCEMN Cc1nnc(SCC(=O)NCc2c(O)cccc2F)[nH]1 ZINC000928705304 685961020 /nfs/dbraw/zinc/96/10/20/685961020.db2.gz JFSZAIQNARPIGV-UHFFFAOYSA-N 0 1 296.327 1.366 10 10 CDCEMN CN(C)c1ccc(CN2CC(CCO)C2)cc1F ZINC000839141163 686828040 /nfs/dbraw/zinc/82/80/40/686828040.db2.gz UJVXFTOFDTZUII-UHFFFAOYSA-N 0 1 252.333 1.706 10 10 CDCEMN CN(C)c1ccc(/C=C/CN2CCn3c(=O)[nH]nc3C2)cc1 ZINC000835048588 687329662 /nfs/dbraw/zinc/32/96/62/687329662.db2.gz WAYLNRRURXMVEE-ONEGZZNKSA-N 0 1 299.378 1.579 10 10 CDCEMN CCON(C)C(=O)CNCc1ccc(N(C)C)cc1C ZINC000846065989 687363640 /nfs/dbraw/zinc/36/36/40/687363640.db2.gz YZBQLVNCJDDXKH-UHFFFAOYSA-N 0 1 279.384 1.561 10 10 CDCEMN Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C)C2)c(O)c1O ZINC000780932795 687414746 /nfs/dbraw/zinc/41/47/46/687414746.db2.gz XFMBHSYMHQXQOO-JTQLQIEISA-N 0 1 264.325 1.230 10 10 CDCEMN Cc1ccc(C(=O)N[C@H]2CCCN(C)C2)c(O)c1O ZINC000780932795 687414754 /nfs/dbraw/zinc/41/47/54/687414754.db2.gz XFMBHSYMHQXQOO-JTQLQIEISA-N 0 1 264.325 1.230 10 10 CDCEMN Cc1nc(CC[NH2+]Cc2cccc(F)c2[O-])n[nH]1 ZINC000392380675 1187279175 /nfs/dbraw/zinc/27/91/75/1187279175.db2.gz RRHCYBOGVYMBLU-UHFFFAOYSA-N 0 1 250.277 1.290 10 10 CDCEMN CCc1cc(CNC(=O)Cc2ccc(O)c(O)c2)n[nH]1 ZINC001293270724 954346762 /nfs/dbraw/zinc/34/67/62/954346762.db2.gz RZUNNGBGJASWKQ-UHFFFAOYSA-N 0 1 275.308 1.242 10 10 CDCEMN C[C@@H](CO)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000282757937 368024610 /nfs/dbraw/zinc/02/46/10/368024610.db2.gz KRXGCCQZVCDDHT-ZDUSSCGKSA-N 0 1 293.411 1.024 10 10 CDCEMN Cc1ccc(O)c(CN2CCO[C@H](Cn3cccn3)C2)c1 ZINC000122295899 390899604 /nfs/dbraw/zinc/89/96/04/390899604.db2.gz HHESLKAOVWCOGQ-HNNXBMFYSA-N 0 1 287.363 1.798 10 10 CDCEMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000527760069 392988981 /nfs/dbraw/zinc/98/89/81/392988981.db2.gz WAIOOIXINPBPSO-OLZOCXBDSA-N 0 1 271.744 1.675 10 10 CDCEMN C[C@H]1CN(CCC(=O)Nc2ccc(N)cc2)CCO1 ZINC000022152866 171359940 /nfs/dbraw/zinc/35/99/40/171359940.db2.gz DKGHWKYAAKHIQT-NSHDSACASA-N 0 1 263.341 1.318 10 10 CDCEMN COc1ccccc1C=CC=C1C(=O)NC(=O)NC1=O ZINC000083319658 483162312 /nfs/dbraw/zinc/16/23/12/483162312.db2.gz FFPOAFGKCXHOSX-XQRVVYSFSA-N 0 1 272.260 1.841 10 10 CDCEMN CC(=O)c1cc(F)cc(CN2CC[C@H](C)[C@@H](O)C2)c1O ZINC000093332356 1174437819 /nfs/dbraw/zinc/43/78/19/1174437819.db2.gz HVQQVCVVYCRDIM-XPTSAGLGSA-N 0 1 281.327 1.937 10 10 CDCEMN C[C@H](NC(=O)NCCCc1nc[nH]n1)c1ccccc1O ZINC001682528897 1174616823 /nfs/dbraw/zinc/61/68/23/1174616823.db2.gz DCYJZXJRFUOONY-JTQLQIEISA-N 0 1 289.339 1.503 10 10 CDCEMN CO[C@@](C)(CO)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826534886 618596967 /nfs/dbraw/zinc/59/69/67/618596967.db2.gz LTSFVKWFCMZSQL-CYBMUJFWSA-N 0 1 273.760 1.841 10 10 CDCEMN C[N@H+]1C[C@H]2CCN(Cc3cc(F)cc(F)c3[O-])[C@H]2C1 ZINC000894842936 619092607 /nfs/dbraw/zinc/09/26/07/619092607.db2.gz VCCKYGYVTAQBEN-RNCFNFMXSA-N 0 1 268.307 1.806 10 10 CDCEMN C[NH+](C)[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1(C)C ZINC000898101050 621337038 /nfs/dbraw/zinc/33/70/38/621337038.db2.gz GIISHLAJEOONMZ-MNOVXSKESA-N 0 1 296.342 1.695 10 10 CDCEMN COc1c([O-])c(C[NH+]2CC(C)C2)ccc1[N+](=O)[O-] ZINC000802651667 695089211 /nfs/dbraw/zinc/08/92/11/695089211.db2.gz WJPWSTBVRMXXOX-UHFFFAOYSA-N 0 1 252.270 1.761 10 10 CDCEMN CN(C)c1ccc(C=CCNCc2cn[nH]n2)cc1 ZINC000858197161 695100990 /nfs/dbraw/zinc/10/09/90/695100990.db2.gz FAFGPWMWKFAQJP-ARJAWSKDSA-N 0 1 257.341 1.674 10 10 CDCEMN C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(Cl)cc1[O-] ZINC000818361041 694075453 /nfs/dbraw/zinc/07/54/53/694075453.db2.gz GYSBFPNVKPRBBV-LDYMZIIASA-N 0 1 296.754 1.844 10 10 CDCEMN Cn1ncc(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000808415063 688228775 /nfs/dbraw/zinc/22/87/75/688228775.db2.gz IIDHTLDBCMZMEW-UHFFFAOYSA-N 0 1 297.702 1.372 10 10 CDCEMN CN(C)c1ccc(C[N@H+]2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000854241910 688315533 /nfs/dbraw/zinc/31/55/33/688315533.db2.gz YXUCOYZUJQYGSM-CZUORRHYSA-N 0 1 290.363 1.286 10 10 CDCEMN CC(C)N(C/C=C\c1ccc(N(C)C)cc1)CC(N)=O ZINC000835026301 692842651 /nfs/dbraw/zinc/84/26/51/692842651.db2.gz ULUOYMXWHIVZHJ-WAYWQWQTSA-N 0 1 275.396 1.962 10 10 CDCEMN COC(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000228355060 692903236 /nfs/dbraw/zinc/90/32/36/692903236.db2.gz XHDBMCWZTUWZOC-JTQLQIEISA-N 0 1 268.288 1.462 10 10 CDCEMN CCS(=O)(=O)CCNC/C=C/c1ccc(N(C)C)cc1 ZINC000835037577 692945236 /nfs/dbraw/zinc/94/52/36/692945236.db2.gz PZQAEBLXDZWQHD-AATRIKPKSA-N 0 1 296.436 1.790 10 10 CDCEMN COc1c([O-])c(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000817414587 693048095 /nfs/dbraw/zinc/04/80/95/693048095.db2.gz LTUBUQUVOPORQE-ONGXEEELSA-N 0 1 296.323 1.654 10 10 CDCEMN COc1c([O-])c(C[N@H+]2C[C@@H](O)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000817414587 693048102 /nfs/dbraw/zinc/04/81/02/693048102.db2.gz LTUBUQUVOPORQE-ONGXEEELSA-N 0 1 296.323 1.654 10 10 CDCEMN O=C1C[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)CN1 ZINC000789769836 693108432 /nfs/dbraw/zinc/10/84/32/693108432.db2.gz VAWNGSKGQKDJSX-CQSZACIVSA-N 0 1 298.745 1.897 10 10 CDCEMN CCc1cccc(CN2CCO[C@@H]([C@@H](C)O)C2)c1O ZINC000848917941 693335769 /nfs/dbraw/zinc/33/57/69/693335769.db2.gz LBIQOUMTIJWYJO-BXUZGUMPSA-N 0 1 265.353 1.536 10 10 CDCEMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c(Cl)c1 ZINC000862546704 694879672 /nfs/dbraw/zinc/87/96/72/694879672.db2.gz QAGSHKRDWUBCRJ-NXEZZACHSA-N 0 1 281.739 1.959 10 10 CDCEMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c(Cl)c1 ZINC000862546704 694879673 /nfs/dbraw/zinc/87/96/73/694879673.db2.gz QAGSHKRDWUBCRJ-NXEZZACHSA-N 0 1 281.739 1.959 10 10 CDCEMN O=C(NCc1c(O)cccc1O)c1[nH]nc2c1CCCC2 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391293577 /nfs/dbraw/zinc/29/35/77/391293577.db2.gz NOJOMOYSTUUXDC-NSHDSACASA-N 0 1 280.347 1.134 10 10 CDCEMN O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2[O-])CN1 ZINC000378370337 329047713 /nfs/dbraw/zinc/04/77/13/329047713.db2.gz LALYVLJWAWDJHE-KGLIPLIRSA-N 0 1 274.364 1.883 10 10 CDCEMN O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2[O-])CN1 ZINC000378370337 329047714 /nfs/dbraw/zinc/04/77/14/329047714.db2.gz LALYVLJWAWDJHE-KGLIPLIRSA-N 0 1 274.364 1.883 10 10 CDCEMN CNC(=O)[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000398477762 1160109240 /nfs/dbraw/zinc/10/92/40/1160109240.db2.gz UORWTUWYUOCVNT-JTQLQIEISA-N 0 1 252.289 1.099 10 10 CDCEMN N[C@H](Cc1ccc(O)c(O)c1)c1nncn1C1CC1 ZINC000054498341 527388741 /nfs/dbraw/zinc/38/87/41/527388741.db2.gz BWSVALHHNQXGLV-SNVBAGLBSA-N 0 1 260.297 1.267 10 10 CDCEMN CN(C)Cc1ccc(C(=O)NCc2ccccc2O)cn1 ZINC000774063598 575850197 /nfs/dbraw/zinc/85/01/97/575850197.db2.gz HWCSEWBXPKRJAG-UHFFFAOYSA-N 0 1 285.347 1.779 10 10 CDCEMN O=C(Nc1c[nH]nn1)c1cc2cc(O)c(O)cc2s1 ZINC001634387962 1166496238 /nfs/dbraw/zinc/49/62/38/1166496238.db2.gz SHZLIBPLFAKIJN-UHFFFAOYSA-N 0 1 276.277 1.683 10 10 CDCEMN CC(C)Oc1c[nH]ccc1=NC(=O)c1cccc(O)c1O ZINC001648510585 1169134034 /nfs/dbraw/zinc/13/40/34/1169134034.db2.gz MPDJZMXAXDHMHO-UHFFFAOYSA-N 0 1 288.303 1.954 10 10 CDCEMN Cc1cc([O-])c(C[NH2+][C@H](C)CS(C)(=O)=O)c(Cl)c1 ZINC000840898389 726069035 /nfs/dbraw/zinc/06/90/35/726069035.db2.gz IBENASWWKKJCMI-SECBINFHSA-N 0 1 291.800 1.877 10 10 CDCEMN CN1CCOC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000700175915 726057487 /nfs/dbraw/zinc/05/74/87/726057487.db2.gz LAHDUDWLOZXNCW-SNVBAGLBSA-N 0 1 270.760 1.466 10 10 CDCEMN Cc1cnn(C[C@H]2CN(Cc3ccccc3O)CCO2)c1 ZINC000179572548 726134551 /nfs/dbraw/zinc/13/45/51/726134551.db2.gz WEXCOZDGNWXNMO-OAHLLOKOSA-N 0 1 287.363 1.798 10 10 CDCEMN Cc1cc(O)c(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(Cl)c1 ZINC000848926669 726202400 /nfs/dbraw/zinc/20/24/00/726202400.db2.gz VQKWXAOUTRINGU-NWDGAFQWSA-N 0 1 296.798 1.605 10 10 CDCEMN 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O=C(NCc1cc(O)ccc1O)c1cccc2nc[nH]c21 ZINC001643881954 1167277140 /nfs/dbraw/zinc/27/71/40/1167277140.db2.gz LROSZBMGXIMVOK-UHFFFAOYSA-N 0 1 283.287 1.904 10 10 CDCEMN CN(C)c1ccncc1C(=O)NCc1ccc(O)c(O)c1 ZINC000183977969 723684616 /nfs/dbraw/zinc/68/46/16/723684616.db2.gz SPSSQKZYVUCDHC-UHFFFAOYSA-N 0 1 287.319 1.489 10 10 CDCEMN C[C@H](NC(=O)CCc1nn[nH]n1)c1ccc(N(C)C)cc1 ZINC000867503589 1164833451 /nfs/dbraw/zinc/83/34/51/1164833451.db2.gz MTJMSQMLMOEBJV-JTQLQIEISA-N 0 1 288.355 1.076 10 10 CDCEMN CN(C)c1ccc(CN2C[C@H]3C[C@@]3(O)C2)cc1F ZINC000895645456 905963207 /nfs/dbraw/zinc/96/32/07/905963207.db2.gz CDZSHCOFPOILIV-BXUZGUMPSA-N 0 1 250.317 1.458 10 10 CDCEMN COC[C@@H]1CN(Cc2cc(C)cc(OC)c2O)C[C@@H](C)O1 ZINC000190213981 934507324 /nfs/dbraw/zinc/50/73/24/934507324.db2.gz TYKZPOHCKOMETE-OCCSQVGLSA-N 0 1 295.379 1.945 10 10 CDCEMN O=C(NCc1cccc(Cl)c1O)c1n[nH]cc1[N+](=O)[O-] ZINC001457034356 969095711 /nfs/dbraw/zinc/09/57/11/969095711.db2.gz FGDDPXGQDUONLV-UHFFFAOYSA-N 0 1 296.670 1.607 10 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O=C(NCc1cc(O)ccc1O)[C@H]1CCN1C1CCCC1 ZINC001644753719 1167346777 /nfs/dbraw/zinc/34/67/77/1167346777.db2.gz GVGUFAGDGGYYJG-CQSZACIVSA-N 0 1 290.363 1.731 10 10 CDCEMN COC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703518043 768890411 /nfs/dbraw/zinc/89/04/11/768890411.db2.gz OQNOKQIBTINSED-VIFPVBQESA-N 0 1 286.278 1.601 10 10 CDCEMN COCc1nnc(C[NH2+]Cc2ccc3c(c2)CCO3)[n-]1 ZINC000850361244 769839245 /nfs/dbraw/zinc/83/92/45/769839245.db2.gz WOMXSWZHSDGMCI-UHFFFAOYSA-N 0 1 274.324 1.176 10 10 CDCEMN Oc1cc2c(cc1CN1CCN(C3CC3)CC1)OCO2 ZINC000129093499 770380801 /nfs/dbraw/zinc/38/08/01/770380801.db2.gz YGIOFYMVGVGOHY-UHFFFAOYSA-N 0 1 276.336 1.401 10 10 CDCEMN C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cc(F)ccc1[O-] ZINC000185778572 771199948 /nfs/dbraw/zinc/19/99/48/771199948.db2.gz QJANDNKCBHJAAT-XHDPSFHLSA-N 0 1 283.343 1.971 10 10 CDCEMN COc1cccc([C@H](C)N[C@@H](CO)c2ccnn2C)c1O ZINC000858435630 771253318 /nfs/dbraw/zinc/25/33/18/771253318.db2.gz NMWLDECPFLENHT-JQWIXIFHSA-N 0 1 291.351 1.519 10 10 CDCEMN CN(C)c1ccc(/C=C/CN(C)[C@@H]2CCNC2=O)cc1 ZINC000835028403 771282607 /nfs/dbraw/zinc/28/26/07/771282607.db2.gz INAJNUAXHLEWRU-MBVDDHJVSA-N 0 1 273.380 1.586 10 10 CDCEMN C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Cl)ccc1[O-] ZINC000858493921 771360881 /nfs/dbraw/zinc/36/08/81/771360881.db2.gz AMUKPLZMSOWGSS-NQMVMOMDSA-N 0 1 268.744 1.960 10 10 CDCEMN C[C@@H]1CS(=O)(=O)CCN1Cc1ccc(F)c(F)c1O ZINC000703609485 771508439 /nfs/dbraw/zinc/50/84/39/771508439.db2.gz KAYSUGNBPSNBKX-MRVPVSSYSA-N 0 1 291.319 1.289 10 10 CDCEMN Cc1cccc(CN(C)C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000775712815 772094216 /nfs/dbraw/zinc/09/42/16/772094216.db2.gz JBQYJHLTKGVHPB-LBPRGKRZSA-N 0 1 283.393 1.567 10 10 CDCEMN Cc1cc(O)c(CN2CCOC[C@@H](O)C2)c(Cl)c1 ZINC000840951319 772409857 /nfs/dbraw/zinc/40/98/57/772409857.db2.gz VAQDHFCVNXGYTJ-JTQLQIEISA-N 0 1 271.744 1.547 10 10 CDCEMN C[C@H](Cc1cnc[nH]1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205574 773112752 /nfs/dbraw/zinc/11/27/52/773112752.db2.gz HMWKIDVGZRASFW-SNVBAGLBSA-N 0 1 271.320 1.836 10 10 CDCEMN C[C@H]1C(=O)N(C)CN1Cc1cccc(Cl)c1O ZINC000843435993 773496860 /nfs/dbraw/zinc/49/68/60/773496860.db2.gz YOSDXNZALMZEIK-QMMMGPOBSA-N 0 1 254.717 1.666 10 10 CDCEMN CC(C)(C)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001542190719 967216134 /nfs/dbraw/zinc/21/61/34/967216134.db2.gz UXGICJGGRRXDGG-UHFFFAOYSA-N 0 1 292.379 1.583 10 10 CDCEMN COc1c([O-])c(C[N@H+](C)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278219068 391380339 /nfs/dbraw/zinc/38/03/39/391380339.db2.gz LIGRXIAVTRONID-NSHDSACASA-N 0 1 296.323 1.920 10 10 CDCEMN COc1c([O-])c(C[N@@H+](C)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278219068 391380341 /nfs/dbraw/zinc/38/03/41/391380341.db2.gz LIGRXIAVTRONID-NSHDSACASA-N 0 1 296.323 1.920 10 10 CDCEMN C[C@H]1CN(CCCC(=O)Nc2ccc(N)cc2)CCO1 ZINC000022155809 171362302 /nfs/dbraw/zinc/36/23/02/171362302.db2.gz AOFFGFBABQOLAQ-LBPRGKRZSA-N 0 1 277.368 1.708 10 10 CDCEMN CCOc1cccc(CN[C@H](C)C2N=NC(=O)N2C)c1O ZINC000895179035 619429670 /nfs/dbraw/zinc/42/96/70/619429670.db2.gz DMYYNUZDXCMDDP-SECBINFHSA-N 0 1 292.339 1.476 10 10 CDCEMN CC1(C)CN(Cc2ccccc2O)[C@@H]2COC[C@H]2O1 ZINC000846118603 778643469 /nfs/dbraw/zinc/64/34/69/778643469.db2.gz QHNPLHABMRKEER-TZMCWYRMSA-N 0 1 263.337 1.770 10 10 CDCEMN C[C@@H]1CC[C@@H](NCc2ccc3c(c2)CCO3)CS1(=O)=O ZINC000850368491 773744026 /nfs/dbraw/zinc/74/40/26/773744026.db2.gz NNDKUHJGFQPUMR-BXUZGUMPSA-N 0 1 295.404 1.677 10 10 CDCEMN C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CC(=O)N1C ZINC000800538108 773925250 /nfs/dbraw/zinc/92/52/50/773925250.db2.gz KBBRCRSBLOFHCG-QMMMGPOBSA-N 0 1 286.734 1.847 10 10 CDCEMN Cn1nnc2c1C[C@H]([NH2+]Cc1c([O-])cccc1Cl)CC2 ZINC000922994287 774032383 /nfs/dbraw/zinc/03/23/83/774032383.db2.gz CRESBWRORJBVCK-SECBINFHSA-N 0 1 292.770 1.821 10 10 CDCEMN C[S@](=O)CCN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000798196474 774292681 /nfs/dbraw/zinc/29/26/81/774292681.db2.gz KNYPULUSZLPSLW-VLIAUNLRSA-N 0 1 297.420 1.752 10 10 CDCEMN CN1C[C@H]2CCN(C(=O)C3=CC(=O)CS3)[C@@H]2C1 ZINC000832692140 774421257 /nfs/dbraw/zinc/42/12/57/774421257.db2.gz RRQIUAYIGXCDDP-PSASIEDQSA-N 0 1 252.339 1.230 10 10 CDCEMN C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H]1C(=O)[O-] ZINC000818631231 774566499 /nfs/dbraw/zinc/56/64/99/774566499.db2.gz CXKZHFCOXRSWFW-LKFCYVNXSA-N 0 1 293.319 1.806 10 10 CDCEMN COc1cccc(O)c1C[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000824501590 774604629 /nfs/dbraw/zinc/60/46/29/774604629.db2.gz PPOVUYHYVMGJKE-CJNGLKHVSA-N 0 1 292.379 1.306 10 10 CDCEMN Cc1ccc([C@H](C)NCc2cnn(C)n2)c(O)c1C ZINC000806165410 775058804 /nfs/dbraw/zinc/05/88/04/775058804.db2.gz HELKVGNAQHOEGX-NSHDSACASA-N 0 1 260.341 1.988 10 10 CDCEMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCNC2=O)c(Cl)c1 ZINC000840952781 776318900 /nfs/dbraw/zinc/31/89/00/776318900.db2.gz TXCYPZUAUAGDGK-SNVBAGLBSA-N 0 1 282.771 1.970 10 10 CDCEMN NC(=O)C[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1 ZINC000862535512 776322416 /nfs/dbraw/zinc/32/24/16/776322416.db2.gz PEVTYCPXSFSXPP-SNVBAGLBSA-N 0 1 284.743 1.122 10 10 CDCEMN [NH3+]C[C@H](NCc1cccc(F)c1[O-])C(F)(F)F ZINC000848714348 777011990 /nfs/dbraw/zinc/01/19/90/777011990.db2.gz OHKLADBEEPJEJA-QMMMGPOBSA-N 0 1 252.211 1.511 10 10 CDCEMN COC(=O)[C@@H](CF)NCc1cc(Cl)cc(F)c1O ZINC000809778470 777460279 /nfs/dbraw/zinc/46/02/79/777460279.db2.gz QSTQUWMGVJHXIW-SECBINFHSA-N 0 1 279.670 1.785 10 10 CDCEMN C[C@H]1[C@H](NC(=O)NCc2c(O)cccc2F)CC[N@H+]1C ZINC000925346023 777853805 /nfs/dbraw/zinc/85/38/05/777853805.db2.gz BBHYKLHNALNHEX-JOYOIKCWSA-N 0 1 281.331 1.423 10 10 CDCEMN CN(C)c1ccc(/C=C\CN[C@H]2CCS(=O)(=O)C2)cc1 ZINC000835024930 777859195 /nfs/dbraw/zinc/85/91/95/777859195.db2.gz DSHHDJUWTVORSM-NQHOJNORSA-N 0 1 294.420 1.543 10 10 CDCEMN CN(C)c1ccc(CN2CCc3c(=O)[nH]n(C)c3C2)cc1 ZINC000931197414 778828503 /nfs/dbraw/zinc/82/85/03/778828503.db2.gz WWHHIALRNZCDLE-UHFFFAOYSA-N 0 1 286.379 1.750 10 10 CDCEMN CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703493050 922707705 /nfs/dbraw/zinc/70/77/05/922707705.db2.gz YRTZLKSSBYODIV-SNVBAGLBSA-N 0 1 270.279 1.381 10 10 CDCEMN CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703493050 922707723 /nfs/dbraw/zinc/70/77/23/922707723.db2.gz YRTZLKSSBYODIV-SNVBAGLBSA-N 0 1 270.279 1.381 10 10 CDCEMN Cc1cc(O)c(CN2CCO[C@H](CC(N)=O)C2)cc1C ZINC000862535458 929423580 /nfs/dbraw/zinc/42/35/80/929423580.db2.gz NTHGPHILLDYGGG-CYBMUJFWSA-N 0 1 278.352 1.085 10 10 CDCEMN CN1CC2(CN(Cc3cc(F)cc(F)c3O)C2)OC1=O ZINC001119450862 937721098 /nfs/dbraw/zinc/72/10/98/937721098.db2.gz ZLASWVYEOJZXFT-UHFFFAOYSA-N 0 1 284.262 1.307 10 10 CDCEMN O=C1CN(Cc2cc(Cl)c(F)cc2O)CCN1 ZINC000295028148 199307083 /nfs/dbraw/zinc/30/70/83/199307083.db2.gz XFQGEBNWUXEHSS-UHFFFAOYSA-N 0 1 258.680 1.117 10 10 CDCEMN CNC(=O)[C@H]1CCCN1Cc1cc(OC)ccc1O ZINC000133600341 390903748 /nfs/dbraw/zinc/90/37/48/390903748.db2.gz VTEZMQOADPKUQI-GFCCVEGCSA-N 0 1 264.325 1.111 10 10 CDCEMN CC(C)(C(=O)NCc1ccccc1O)c1cnc[nH]1 ZINC000774063644 575850232 /nfs/dbraw/zinc/85/02/32/575850232.db2.gz IJVGKBCURKZHGH-UHFFFAOYSA-N 0 1 259.309 1.709 10 10 CDCEMN O=C1C[C@]2(CC[N@H+](Cc3cc(F)cc(F)c3[O-])C2)CN1 ZINC000894592973 618985498 /nfs/dbraw/zinc/98/54/98/618985498.db2.gz NKAGTJFAMQRDCY-CQSZACIVSA-N 0 1 282.290 1.382 10 10 CDCEMN Cc1cccc(CONC(=O)c2c(F)ccc(O)c2O)n1 ZINC001638925320 1166888320 /nfs/dbraw/zinc/88/83/20/1166888320.db2.gz YDRLFXABDURYFT-UHFFFAOYSA-N 0 1 292.266 1.802 10 10 CDCEMN C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000847405445 782297904 /nfs/dbraw/zinc/29/79/04/782297904.db2.gz KMZMRLKBHNUANJ-GFCCVEGCSA-N 0 1 293.386 1.850 10 10 CDCEMN CN(C)c1ccc(CNC(=O)C2=NC(=O)N(C)C2)cc1F ZINC000824669568 782851313 /nfs/dbraw/zinc/85/13/13/782851313.db2.gz NBSKVHTVBSWREY-UHFFFAOYSA-N 0 1 292.314 1.261 10 10 CDCEMN C[C@@H]1CN(C(=[NH2+])NCc2cc(Cl)ccc2[O-])CCO1 ZINC000849048130 781913533 /nfs/dbraw/zinc/91/35/33/781913533.db2.gz DNDFGXMXLWSMCX-SECBINFHSA-N 0 1 283.759 1.791 10 10 CDCEMN CN(C)c1ccc(/C=C/CNCC(=O)NCC(F)F)cc1 ZINC000835053269 783383431 /nfs/dbraw/zinc/38/34/31/783383431.db2.gz VAVNHFXIBNZAMG-ONEGZZNKSA-N 0 1 297.349 1.737 10 10 CDCEMN [NH3+]C[C@@H](NCc1cccc(F)c1[O-])C(F)(F)F ZINC000848714347 969252798 /nfs/dbraw/zinc/25/27/98/969252798.db2.gz OHKLADBEEPJEJA-MRVPVSSYSA-N 0 1 252.211 1.511 10 10 CDCEMN COC(=O)c1cnc(Sc2nccnc2CN)s1 ZINC001186557559 920072036 /nfs/dbraw/zinc/07/20/36/920072036.db2.gz XZIWGJGTRIUQTB-UHFFFAOYSA-N 0 1 282.350 1.330 10 10 CDCEMN CN(C)c1ccc(/C=C/CN2CC[C@H](NC(N)=O)C2)cc1 ZINC000835028730 936714542 /nfs/dbraw/zinc/71/45/42/936714542.db2.gz KEMIQVIMHNRTLC-XGACYXMMSA-N 0 1 288.395 1.508 10 10 CDCEMN CNC(=O)C[C@H](C)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840949815 936969224 /nfs/dbraw/zinc/96/92/24/936969224.db2.gz CKFMXXGOLFUWKD-VIFPVBQESA-N 0 1 270.760 1.968 10 10 CDCEMN CN(C)c1ccncc1C(=O)NCCc1ccc(N)cc1 ZINC000843343497 937139753 /nfs/dbraw/zinc/13/97/53/937139753.db2.gz XNEJDZQTCMYOJD-UHFFFAOYSA-N 0 1 284.363 1.702 10 10 CDCEMN Fc1cc(CNCc2c[nH]nn2)ccc1N1CCOCC1 ZINC000858197691 928819112 /nfs/dbraw/zinc/81/91/12/928819112.db2.gz GHJCYCLJATUEHC-UHFFFAOYSA-N 0 1 291.330 1.070 10 10 CDCEMN C[C@@H](CN(C)Cc1ccccc1O)CS(C)(=O)=O ZINC000119064580 929462854 /nfs/dbraw/zinc/46/28/54/929462854.db2.gz SLPKEPJUCQWZOK-NSHDSACASA-N 0 1 271.382 1.505 10 10 CDCEMN O=C(Cc1ccc(O)c(O)c1)Nc1n[nH]c2cc(O)ccc21 ZINC001298317917 955171333 /nfs/dbraw/zinc/17/13/33/955171333.db2.gz FHTOFSYGHZIWIX-UHFFFAOYSA-N 0 1 299.286 1.861 10 10 CDCEMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)Cc1ccc(N)cc1 ZINC000094446680 360085746 /nfs/dbraw/zinc/08/57/46/360085746.db2.gz HRTBUULPNIYWSA-CZUORRHYSA-N 0 1 287.407 1.897 10 10 CDCEMN O=C1C[C@@]2(CC[N@H+](Cc3cccc(Cl)c3[O-])C2)CN1 ZINC000279535352 527025274 /nfs/dbraw/zinc/02/52/74/527025274.db2.gz ZWAPNHPKFKNPFR-AWEZNQCLSA-N 0 1 280.755 1.758 10 10 CDCEMN Cc1cc(O)c(CN(C)C[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000740865178 576520097 /nfs/dbraw/zinc/52/00/97/576520097.db2.gz PJJFGGISHYVGKG-ZDUSSCGKSA-N 0 1 297.420 1.876 10 10 CDCEMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C(N)=O)C2)c(Cl)c1 ZINC000840907547 617598855 /nfs/dbraw/zinc/59/88/55/617598855.db2.gz HBJUYNWKHPMZJN-VIFPVBQESA-N 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CNC(=O)[C@@H]1CCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000835026241 829745806 /nfs/dbraw/zinc/74/58/06/829745806.db2.gz SSYWKQHTBXLFDH-LEXSJLIMSA-N 0 1 287.407 1.976 10 10 CDCEMN Nc1ccc(CCNC(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC000841956202 829864636 /nfs/dbraw/zinc/86/46/36/829864636.db2.gz YMEKZFOWYLEORD-GASCZTMLSA-N 0 1 288.395 1.347 10 10 CDCEMN CN1CCO[C@@H](C[N@@H+](C)Cc2cc(F)cc(F)c2[O-])C1 ZINC000708412351 830021340 /nfs/dbraw/zinc/02/13/40/830021340.db2.gz HGCIFNHNRSEFRP-GFCCVEGCSA-N 0 1 286.322 1.433 10 10 CDCEMN CCON(CC)C(=O)CNCc1ccc(OC)c(C)c1 ZINC000858219374 830163787 /nfs/dbraw/zinc/16/37/87/830163787.db2.gz JRAKUYLBDGMAFK-UHFFFAOYSA-N 0 1 280.368 1.893 10 10 CDCEMN C[C@@H](N[C@H](CO)c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000858434300 830390387 /nfs/dbraw/zinc/39/03/87/830390387.db2.gz DUHVFGRGDJPVGU-IUODEOHRSA-N 0 1 288.395 1.870 10 10 CDCEMN C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(Cl)ccc1[O-] ZINC000850545295 830459914 /nfs/dbraw/zinc/45/99/14/830459914.db2.gz AFOPZMAQLNECET-SCZZXKLOSA-N 0 1 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