smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C(C)(C)[C@@H](O)c1ccc([O-])c(Cl)c1 ZINC000052257484 520423718 /nfs/dbraw/zinc/42/37/18/520423718.db2.gz ZEEWUFHZZYCIED-NSHDSACASA-N -1 1 272.728 2.668 10 0 CFAEMM CCN(Cc1ncc(C(C)(C)C)o1)C[C@H](C)C(=O)[O-] ZINC000061219211 521459346 /nfs/dbraw/zinc/45/93/46/521459346.db2.gz LYNWOJSVJSQUBY-JTQLQIEISA-N -1 1 268.357 2.515 10 0 CFAEMM CC(C)c1cc(=S)n(-c2ccc(Cl)nn2)[n-]1 ZINC000052304932 519833624 /nfs/dbraw/zinc/83/36/24/519833624.db2.gz IPDCJTSZPIMFIM-UHFFFAOYSA-N -1 1 254.746 2.728 10 0 CFAEMM COc1cc2c(cc1F)nccc2N[C@@H](C(=O)[O-])C(C)C ZINC000263407362 523016111 /nfs/dbraw/zinc/01/61/11/523016111.db2.gz LDKATUTZNGRKPE-CQSZACIVSA-N -1 1 292.310 2.904 10 0 CFAEMM COc1ccc(C(=O)Nc2cc(C)c(C)cc2N)c([O-])c1 ZINC000050439145 523743552 /nfs/dbraw/zinc/74/35/52/523743552.db2.gz ZHGIIMGZUXLPEV-UHFFFAOYSA-N -1 1 286.331 2.852 10 0 CFAEMM 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283.327 2.595 10 0 CFAEMM Cc1ncc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)s1 ZINC000087612252 540278017 /nfs/dbraw/zinc/27/80/17/540278017.db2.gz YGEHMGQAAOCYFQ-AWEZNQCLSA-N -1 1 288.372 2.636 10 0 CFAEMM CCC(C)(C)[C@H]1CCc2c(cnc(N)c2C(=O)[O-])C1 ZINC000675064121 540649039 /nfs/dbraw/zinc/64/90/39/540649039.db2.gz WBCWGHCUXXLSRI-JTQLQIEISA-N -1 1 262.353 2.903 10 0 CFAEMM CC(C)(C)OC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000685950723 541459395 /nfs/dbraw/zinc/45/93/95/541459395.db2.gz WVWACBOKDYNTCQ-UHFFFAOYSA-N -1 1 277.280 2.608 10 0 CFAEMM Cc1ccc(-c2ccc3n[nH+]c(C(=O)[O-])c([O-])c3c2)cc1 ZINC000098180354 375609253 /nfs/dbraw/zinc/60/92/53/375609253.db2.gz OVBHDNPTCANKKQ-UHFFFAOYSA-N -1 1 280.283 2.597 10 0 CFAEMM Cc1cccc(C(=O)n2c([S-])nc3ccccc3c2=O)c1 ZINC000103650389 375757913 /nfs/dbraw/zinc/75/79/13/375757913.db2.gz IDZFHNYOZPKIDV-UHFFFAOYSA-N -1 1 296.351 2.682 10 0 CFAEMM Cc1cccc(C(=O)n2c([O-])c3ccccc3nc2=S)c1 ZINC000103650389 375757921 /nfs/dbraw/zinc/75/79/21/375757921.db2.gz 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272.728 2.668 10 0 CFAEMM CCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cn1 ZINC000050636190 520169572 /nfs/dbraw/zinc/16/95/72/520169572.db2.gz XMNXTZRIXBSGCJ-UHFFFAOYSA-N -1 1 291.376 2.704 10 0 CFAEMM COC(=O)[C@H](C(C)C)[C@H](O)c1ccc([O-])c(Cl)c1 ZINC000052253900 523847672 /nfs/dbraw/zinc/84/76/72/523847672.db2.gz IZNVVHPGRYUMQL-VXGBXAGGSA-N -1 1 272.728 2.524 10 0 CFAEMM Cc1cnc([C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])o1 ZINC000226614722 526121477 /nfs/dbraw/zinc/12/14/77/526121477.db2.gz SJSGLSFFVCMUEO-MRVPVSSYSA-N -1 1 280.711 2.833 10 0 CFAEMM Nc1[nH]c(=S)[n-]c(=O)c1-c1c(F)cccc1Cl ZINC000757178963 617871672 /nfs/dbraw/zinc/87/16/72/617871672.db2.gz YAYXTIUTTXHTEA-UHFFFAOYSA-N -1 1 271.704 2.513 10 0 CFAEMM C[C@H](NC(=O)c1sccc1C1CC1)c1cc(=O)[nH][n-]1 ZINC000898867945 620498998 /nfs/dbraw/zinc/49/89/98/620498998.db2.gz COJLUSKRNVDADG-ZETCQYMHSA-N -1 1 277.349 2.545 10 0 CFAEMM O=C([O-])c1cccnc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000312286207 623505453 /nfs/dbraw/zinc/50/54/53/623505453.db2.gz JKENHWNFFDYTNF-VIFPVBQESA-N -1 1 288.269 2.554 10 0 CFAEMM CN(C/C=C\c1ccccc1)Cc1ncccc1C(=O)[O-] ZINC000096833587 651000073 /nfs/dbraw/zinc/00/00/73/651000073.db2.gz DJGWXQMTCPDJJI-TWGQIWQCSA-N -1 1 282.343 2.925 10 0 CFAEMM Cc1c(Br)ccc2c(N)c(C(=O)[O-])cnc12 ZINC000047913079 300909060 /nfs/dbraw/zinc/90/90/60/300909060.db2.gz WSJAGWBIIQJEIG-UHFFFAOYSA-N -1 1 281.109 2.586 10 0 CFAEMM CC(C)(C)OC(=O)CCC(=O)c1ccc([O-])cc1 ZINC000034183192 346315244 /nfs/dbraw/zinc/31/52/44/346315244.db2.gz CAWSYSLGSRJJPW-UHFFFAOYSA-N -1 1 250.294 2.697 10 0 CFAEMM CC(C)(C)c1cc2nc(CC(F)(F)F)nn2c([O-])c1 ZINC000725242983 539556851 /nfs/dbraw/zinc/55/68/51/539556851.db2.gz DLVKODHVIGMNFU-UHFFFAOYSA-N -1 1 273.258 2.837 10 0 CFAEMM O=C1[N-]C(=O)C(=Cc2ccc3cc(O)ccc3c2)S1 ZINC000115659616 347781132 /nfs/dbraw/zinc/78/11/32/347781132.db2.gz MWSRLOOOXGXSRO-WUXMJOGZSA-N -1 1 271.297 2.869 10 0 CFAEMM C[C@@]1(C(=O)[O-])CCCN(Cc2c(F)cccc2F)C1 ZINC000086783782 179331732 /nfs/dbraw/zinc/33/17/32/179331732.db2.gz IYLFOMSYQSAPOH-CQSZACIVSA-N -1 1 269.291 2.652 10 0 CFAEMM C[C@@]1(C(=O)[O-])CCCN(Cc2cc(F)c(F)c(F)c2)C1 ZINC000086783529 179332129 /nfs/dbraw/zinc/33/21/29/179332129.db2.gz XEKLOCLNAAPXEE-CQSZACIVSA-N -1 1 287.281 2.791 10 0 CFAEMM CCC1(C(=O)[O-])CCN([C@H](C)c2nccs2)CC1 ZINC000086789013 179334033 /nfs/dbraw/zinc/33/40/33/179334033.db2.gz YDSWHDAPPLGMSU-SNVBAGLBSA-N -1 1 268.382 2.781 10 0 CFAEMM C[C@H](c1ccccc1Br)N1CC(CC(=O)[O-])C1 ZINC000086811801 179341194 /nfs/dbraw/zinc/34/11/94/179341194.db2.gz INFIMCMBIWBZMX-SECBINFHSA-N -1 1 298.180 2.917 10 0 CFAEMM C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@@]2(C)C(=O)[O-])o1 ZINC000086816329 179343992 /nfs/dbraw/zinc/34/39/92/179343992.db2.gz XZVSSSSPPIXMFC-GMXABZIVSA-N -1 1 263.337 2.842 10 0 CFAEMM NC(=O)c1cc(C(F)(F)F)c(C(F)(F)F)cc1[O-] ZINC000514269412 348640231 /nfs/dbraw/zinc/64/02/31/348640231.db2.gz KFBXWOUDQNSLNO-UHFFFAOYSA-N -1 1 273.132 2.529 10 0 CFAEMM COC(=O)c1cc(Br)c(OC)c(Cl)c1[O-] ZINC000584598648 348685128 /nfs/dbraw/zinc/68/51/28/348685128.db2.gz CLBARLGCRFLSNP-UHFFFAOYSA-N -1 1 295.516 2.603 10 0 CFAEMM CC(C)C[C@H](NC(=O)OCc1ccccc1)[P@H](=O)[O-] ZINC000584601076 348685627 /nfs/dbraw/zinc/68/56/27/348685627.db2.gz NHNCLFLVBPVRHX-GFCCVEGCSA-N -1 1 285.280 2.752 10 0 CFAEMM CC(C)(C)N1CCOC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000616636936 352393902 /nfs/dbraw/zinc/39/39/02/352393902.db2.gz IFLRUMUOUNROSN-CYBMUJFWSA-N -1 1 263.337 2.557 10 0 CFAEMM O=C(N[C@@H]1CCCc2ccccc21)c1cncc([O-])c1 ZINC000111772284 284042515 /nfs/dbraw/zinc/04/25/15/284042515.db2.gz XBPRGTIYVCVEPQ-OAHLLOKOSA-N -1 1 268.316 2.595 10 0 CFAEMM COc1ccc([C@H]2COc3cc([O-])ccc3C2=O)cc1 ZINC000002558136 371736752 /nfs/dbraw/zinc/73/67/52/371736752.db2.gz INYISIYHXQDCPK-CQSZACIVSA-N -1 1 270.284 2.760 10 0 endogenous,in-man CFAEMM O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cncc([O-])c1 ZINC000111776568 375871237 /nfs/dbraw/zinc/87/12/37/375871237.db2.gz ZIKUEJTVBJQIBI-ZJUUUORDSA-N -1 1 288.269 2.638 10 0 CFAEMM CCc1ccc([C@@H](C)NC(=O)c2cncc([O-])c2)cc1 ZINC000111775910 375869347 /nfs/dbraw/zinc/86/93/47/375869347.db2.gz ARMDKSRROOZKQD-LLVKDONJSA-N -1 1 270.332 2.841 10 0 CFAEMM O=Cc1cc([O-])c(Br)cc1OC(F)(F)F ZINC000575690017 382788983 /nfs/dbraw/zinc/78/89/83/382788983.db2.gz RQNKJRISNRYKAX-UHFFFAOYSA-N -1 1 285.015 2.866 10 0 CFAEMM O=Cc1c(Br)c([O-])ccc1C(F)(F)F ZINC000575690910 382789101 /nfs/dbraw/zinc/78/91/01/382789101.db2.gz FCQWODKCVKQYPY-UHFFFAOYSA-N -1 1 269.016 2.986 10 0 CFAEMM O=Cc1c([O-])c(OC(F)(F)F)ccc1Br ZINC000575691662 382789108 /nfs/dbraw/zinc/78/91/08/382789108.db2.gz PMMVCIOZAIERBM-UHFFFAOYSA-N -1 1 285.015 2.866 10 0 CFAEMM CCOc1cc(I)cc([O-])c1F ZINC000575695067 382789461 /nfs/dbraw/zinc/78/94/61/382789461.db2.gz BVFJQQFUFIMGMJ-UHFFFAOYSA-N -1 1 282.052 2.535 10 0 CFAEMM CSc1cc(F)cc(I)c1[O-] ZINC000575702062 382791322 /nfs/dbraw/zinc/79/13/22/382791322.db2.gz ASWXPMQHTGLVBA-UHFFFAOYSA-N -1 1 284.093 2.858 10 0 CFAEMM COC(=O)c1cc([O-])cc(Cl)c1Br ZINC000575711232 382793242 /nfs/dbraw/zinc/79/32/42/382793242.db2.gz UBYISHQZQRQHQD-UHFFFAOYSA-N -1 1 265.490 2.595 10 0 CFAEMM CO[C@H](c1noc(-c2ccc([O-])cc2F)n1)C1CC1 ZINC000232390371 382868597 /nfs/dbraw/zinc/86/85/97/382868597.db2.gz BGSVRKKCBJWETR-NSHDSACASA-N -1 1 264.256 2.679 10 0 CFAEMM O=C([O-])c1cccc(CN2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000227155357 304260151 /nfs/dbraw/zinc/26/01/51/304260151.db2.gz TWWHQEMWQKYPGT-HUUCEWRRSA-N -1 1 275.348 2.528 10 0 CFAEMM O=C([O-])c1coc(CN2CC[C@H](C3CCCCC3)C2)n1 ZINC000656761316 413191578 /nfs/dbraw/zinc/19/15/78/413191578.db2.gz NZKCRLMIXPMZSE-LBPRGKRZSA-N -1 1 278.352 2.775 10 0 CFAEMM Cc1ccc(OCCSc2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000006720025 170232127 /nfs/dbraw/zinc/23/21/27/170232127.db2.gz CQXNPZHZAYEAPT-UHFFFAOYSA-N -1 1 290.388 2.866 10 0 CFAEMM Cc1c(N)cccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000022142420 171355667 /nfs/dbraw/zinc/35/56/67/171355667.db2.gz DXQDYHSXPYSJBK-UHFFFAOYSA-N -1 1 280.324 2.517 10 0 CFAEMM Cc1ccc(N)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000022144142 171356021 /nfs/dbraw/zinc/35/60/21/171356021.db2.gz NFJPUGGTRQXCIQ-UHFFFAOYSA-N -1 1 280.324 2.517 10 0 CFAEMM C[C@H]1C[C@H](C)CN(c2n[n-]c(=S)n2C2CC2)C1 ZINC000035222138 172065643 /nfs/dbraw/zinc/06/56/43/172065643.db2.gz WITMRAYTRQLYOW-IUCAKERBSA-N -1 1 252.387 2.758 10 0 CFAEMM Cc1cccc(N)c1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000035346836 172139376 /nfs/dbraw/zinc/13/93/76/172139376.db2.gz UEFYNNXCDQLRAS-UHFFFAOYSA-N -1 1 280.324 2.517 10 0 CFAEMM CC(=O)c1ccc([O-])c(CSc2nccn2C)c1 ZINC000037313602 173115839 /nfs/dbraw/zinc/11/58/39/173115839.db2.gz JZCPMUNDBACSKS-UHFFFAOYSA-N -1 1 262.334 2.621 10 0 CFAEMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)cc1N ZINC000043319757 175005585 /nfs/dbraw/zinc/00/55/85/175005585.db2.gz ULSFIMPGSQPUKA-UHFFFAOYSA-N -1 1 298.314 2.656 10 0 CFAEMM Cc1cccnc1-c1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000043616237 175079949 /nfs/dbraw/zinc/07/99/49/175079949.db2.gz KCIOMVGWEBZRJD-UHFFFAOYSA-N -1 1 263.300 2.807 10 0 CFAEMM CCN(Cc1ccco1)Cc1ccc(C(=O)[O-])cc1 ZINC000044383174 175169806 /nfs/dbraw/zinc/16/98/06/175169806.db2.gz ONZZDAITBDQQGI-UHFFFAOYSA-N -1 1 259.305 3.000 10 0 CFAEMM CCCc1ccc([C@H](C)N[C@@H](C)c2nnn[n-]2)cc1 ZINC000044888364 175271560 /nfs/dbraw/zinc/27/15/60/175271560.db2.gz FTAHUIVGAHLFBI-QWRGUYRKSA-N -1 1 259.357 2.564 10 0 CFAEMM CC(C)Cc1ccc([C@@H](C)N[C@H](C)c2nnn[n-]2)cc1 ZINC000044923113 175277458 /nfs/dbraw/zinc/27/74/58/175277458.db2.gz PGVPTMRQUOLPHD-VXGBXAGGSA-N -1 1 273.384 2.810 10 0 CFAEMM C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)c1nn[n-]n1 ZINC000044923005 175277522 /nfs/dbraw/zinc/27/75/22/175277522.db2.gz BSQUUIODCAAYGS-RNFRBKRXSA-N -1 1 286.166 2.918 10 0 CFAEMM O=C(N[C@H]1COc2ccccc21)c1ccc(Cl)cc1[O-] ZINC000070199045 280482078 /nfs/dbraw/zinc/48/20/78/280482078.db2.gz WBPANSPMZOHKPN-LBPRGKRZSA-N -1 1 289.718 2.909 10 0 CFAEMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(N)nc1 ZINC000050633549 519846718 /nfs/dbraw/zinc/84/67/18/519846718.db2.gz BSFDAZLWVGUAPA-UHFFFAOYSA-N -1 1 291.376 2.588 10 0 CFAEMM CNc1cc(S(=O)(=O)[N-]c2cccc(C)c2C)ccn1 ZINC000050649411 522575080 /nfs/dbraw/zinc/57/50/80/522575080.db2.gz WCIIRWCDAWQTTG-UHFFFAOYSA-N -1 1 291.376 2.541 10 0 CFAEMM CNc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000050649162 522664806 /nfs/dbraw/zinc/66/48/06/522664806.db2.gz IACWKIPWKHUWBU-UHFFFAOYSA-N -1 1 294.351 2.977 10 0 CFAEMM Cc1cc(=O)[n-]c(SCc2cc3ccccc3nc2N)n1 ZINC000050834263 526120121 /nfs/dbraw/zinc/12/01/21/526120121.db2.gz RQYWIRJANWZQIA-UHFFFAOYSA-N -1 1 298.371 2.501 10 0 CFAEMM O=C([O-])c1cccc(-c2nc(-c3ccccc3)n[nH]2)c1 ZINC000061811275 526387537 /nfs/dbraw/zinc/38/75/37/526387537.db2.gz SYTXPZGAGMWROJ-UHFFFAOYSA-N -1 1 265.272 2.837 10 0 CFAEMM O=C([O-])c1cccc(-c2n[nH]c(-c3ccccc3)n2)c1 ZINC000061811275 526387540 /nfs/dbraw/zinc/38/75/40/526387540.db2.gz SYTXPZGAGMWROJ-UHFFFAOYSA-N -1 1 265.272 2.837 10 0 CFAEMM Cc1nc(Cn2c(=S)[n-]nc2C2CC2)cs1 ZINC000049534069 526943355 /nfs/dbraw/zinc/94/33/55/526943355.db2.gz XTFSHYWBMYZCEQ-UHFFFAOYSA-N -1 1 252.368 2.631 10 0 CFAEMM N[C@H](c1ccccc1)c1c(F)c(F)c([O-])c(F)c1F ZINC000757131758 617764018 /nfs/dbraw/zinc/76/40/18/617764018.db2.gz DCOKXZUBNGWWBK-GFCCVEGCSA-N -1 1 271.213 2.997 10 0 CFAEMM O=C([O-])c1ccc(CN[C@H]2CCCc3ccccc32)nc1 ZINC000094759991 619167844 /nfs/dbraw/zinc/16/78/44/619167844.db2.gz LENOASKMLVJBPL-INIZCTEOSA-N -1 1 282.343 2.947 10 0 CFAEMM Cc1ccc([C@H](C)NC(=O)c2c([O-])cccc2F)o1 ZINC000163730535 232258252 /nfs/dbraw/zinc/25/82/52/232258252.db2.gz JLGMTTKNUQSVRF-VIFPVBQESA-N -1 1 263.268 2.924 10 0 CFAEMM C[C@H](c1ccccc1C(F)(F)F)N1CC(C(=O)[O-])C1 ZINC000086811125 179340540 /nfs/dbraw/zinc/34/05/40/179340540.db2.gz FTXYIPYEQNANIE-MRVPVSSYSA-N -1 1 273.254 2.783 10 0 CFAEMM C[C@@H](c1ccccc1Br)N1CC(CC(=O)[O-])C1 ZINC000086811798 179341466 /nfs/dbraw/zinc/34/14/66/179341466.db2.gz INFIMCMBIWBZMX-VIFPVBQESA-N -1 1 298.180 2.917 10 0 CFAEMM O=C1O[C@]([O-])(C(F)(F)F)c2cccc3cccc1c32 ZINC000196435449 348148280 /nfs/dbraw/zinc/14/82/80/348148280.db2.gz HZBNJSLAWDOPAQ-LBPRGKRZSA-N -1 1 268.190 2.718 10 0 CFAEMM 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ZINC000050639626 522637379 /nfs/dbraw/zinc/63/73/79/522637379.db2.gz JCHVKJAVZLCGJG-UHFFFAOYSA-N -1 1 291.376 2.541 10 0 CFAEMM C[C@@H](CCC(=O)[O-])N1CCN(c2ccccc2Cl)CC1 ZINC000050956483 524441733 /nfs/dbraw/zinc/44/17/33/524441733.db2.gz RGCLSGVAGXEZJS-LBPRGKRZSA-N -1 1 296.798 2.715 10 0 CFAEMM C[C@@H](NC(=O)c1ncccc1[O-])c1ccc(Cl)cc1 ZINC000049526923 525382621 /nfs/dbraw/zinc/38/26/21/525382621.db2.gz YMXZRZLWIMIPOX-SECBINFHSA-N -1 1 276.723 2.932 10 0 CFAEMM COc1ccc2nc(S[C@@H](C)CCC(=O)[O-])[nH]c2c1 ZINC000050955685 525680511 /nfs/dbraw/zinc/68/05/11/525680511.db2.gz CDVIIAFKBCYNFG-QMMMGPOBSA-N -1 1 280.349 2.917 10 0 CFAEMM Cc1cnc([C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])o1 ZINC000226616456 526120491 /nfs/dbraw/zinc/12/04/91/526120491.db2.gz ZDVBMWZKORNTQO-MRVPVSSYSA-N -1 1 280.711 2.833 10 0 CFAEMM O=C([O-])c1c[nH]c2ccc(OCc3ccccc3)cc2c1=O ZINC000062709060 526341738 /nfs/dbraw/zinc/34/17/38/526341738.db2.gz BJZQPNHESNGXAR-UHFFFAOYSA-N -1 1 295.294 2.805 10 0 CFAEMM O=C(O)c1c[n-]c2ccc(OCc3ccccc3)cc2c1=O ZINC000062709060 526341739 /nfs/dbraw/zinc/34/17/39/526341739.db2.gz BJZQPNHESNGXAR-UHFFFAOYSA-N -1 1 295.294 2.805 10 0 CFAEMM O=c1cc(-c2ccccc2)oc2c(O)ccc([O-])c12 ZINC000000898960 560179358 /nfs/dbraw/zinc/17/93/58/560179358.db2.gz KYLWJAUHHPTDDH-UHFFFAOYSA-N -1 1 254.241 2.871 10 0 biogenic,in-vitro CFAEMM C[C@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1cc(=O)[nH][n-]1 ZINC000898880167 620498545 /nfs/dbraw/zinc/49/85/45/620498545.db2.gz VSXSJTJXYFGUHP-IACUBPJLSA-N -1 1 299.374 2.876 10 0 CFAEMM C[C@H](NC(=O)c1csc2c1CCCC2)c1cc(=O)[nH][n-]1 ZINC000898867454 620498604 /nfs/dbraw/zinc/49/86/04/620498604.db2.gz NKMWWEVCRDKWBT-QMMMGPOBSA-N -1 1 291.376 2.547 10 0 CFAEMM Cc1ccncc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000168218540 232262488 /nfs/dbraw/zinc/26/24/88/232262488.db2.gz XTMVNWWNWMKTSJ-UHFFFAOYSA-N -1 1 271.251 2.952 10 0 CFAEMM O=C(Nc1ccc(Cl)c([O-])c1)[C@H]1CCCCO1 ZINC000085204248 178971709 /nfs/dbraw/zinc/97/17/09/178971709.db2.gz JJBSJCUQZSWYLE-LLVKDONJSA-N -1 1 255.701 2.553 10 0 CFAEMM O=C1[N-]C(=O)C(=Cc2ccnc3ccccc23)S1 ZINC000115662839 347780840 /nfs/dbraw/zinc/78/08/40/347780840.db2.gz ROQWDXAYJHDYAF-XFFZJAGNSA-N -1 1 256.286 2.559 10 0 CFAEMM O=C1[N-]C(=O)C(=Cc2cccc3cccnc23)S1 ZINC000115659727 347780969 /nfs/dbraw/zinc/78/09/69/347780969.db2.gz JEVFCCGWYHFYRQ-YFHOEESVSA-N -1 1 256.286 2.559 10 0 CFAEMM CC(C)Cc1ccc([C@@H](C)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000086805240 179338481 /nfs/dbraw/zinc/33/84/81/179338481.db2.gz IOAFZOWGEZYWQW-CJNGLKHVSA-N -1 1 291.391 2.732 10 0 CFAEMM O=c1cc(-c2ccc(N[C@@H]3CCCOCC3)cc2)[n-][nH]1 ZINC000086871529 179364202 /nfs/dbraw/zinc/36/42/02/179364202.db2.gz STHOBPYZVZFZFV-GFCCVEGCSA-N -1 1 273.336 2.763 10 0 CFAEMM FC(F)(F)Cc1ncc(Br)c(=S)[n-]1 ZINC000236107761 348231773 /nfs/dbraw/zinc/23/17/73/348231773.db2.gz NGTQMWSIPQVRFO-UHFFFAOYSA-N -1 1 273.077 2.633 10 0 CFAEMM [O-]c1c(Br)ccc(F)c1OC(F)F ZINC000307305571 348398249 /nfs/dbraw/zinc/39/82/49/348398249.db2.gz CJHWAWGYEJTEBS-UHFFFAOYSA-N -1 1 257.005 2.895 10 0 CFAEMM CC(=O)c1c([O-])cc(Cl)c(Cl)c(Cl)c1=O ZINC000584657814 348703289 /nfs/dbraw/zinc/70/32/89/348703289.db2.gz JAPBVIPZUZFFJX-UHFFFAOYSA-N -1 1 267.495 2.915 10 0 CFAEMM CC(C)(C)N1CCO[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616645542 352397637 /nfs/dbraw/zinc/39/76/37/352397637.db2.gz RIFXTMZAZPTNHK-CYBMUJFWSA-N -1 1 263.337 2.557 10 0 CFAEMM CC[N-]S(=O)(=O)c1occc1-c1cccc(F)c1F ZINC000675055669 540638316 /nfs/dbraw/zinc/63/83/16/540638316.db2.gz ZBYFJGJKQPBERN-UHFFFAOYSA-N -1 1 287.287 2.523 10 0 CFAEMM O=C(C[C@H](O)CCc1ccccc1)c1ccc([O-])cc1 ZINC000013431727 372026553 /nfs/dbraw/zinc/02/65/53/372026553.db2.gz NNPDNNXUSPXBRO-MRXNPFEDSA-N -1 1 270.328 2.959 10 0 biogenic,in-vitro CFAEMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1nc2ccccc2[nH]1 ZINC000154625560 378584390 /nfs/dbraw/zinc/58/43/90/378584390.db2.gz UAIHKAAHNSFHOZ-SECBINFHSA-N -1 1 299.305 2.899 10 0 CFAEMM CCC[C@H]1CCCCN1Cc1nc(C(=O)[O-])co1 ZINC000387308574 382597332 /nfs/dbraw/zinc/59/73/32/382597332.db2.gz BFKMKGAGQDYCIQ-JTQLQIEISA-N -1 1 252.314 2.527 10 0 CFAEMM O=Cc1cc(C(F)F)c(Br)cc1[O-] ZINC000575683953 382787147 /nfs/dbraw/zinc/78/71/47/382787147.db2.gz BXEFCOLDFAXCBW-UHFFFAOYSA-N -1 1 251.026 2.905 10 0 CFAEMM O=C(N[C@@H]1CCOc2ccccc21)c1c([O-])cccc1F ZINC000119141495 393914407 /nfs/dbraw/zinc/91/44/07/393914407.db2.gz YXCVCUBEGVEGIO-GFCCVEGCSA-N -1 1 287.290 2.785 10 0 CFAEMM Cc1cccc(S(=O)(=O)[N-]c2cc(N)ccc2C)c1 ZINC000022144602 171356315 /nfs/dbraw/zinc/35/63/15/171356315.db2.gz PIZOGMMHCMNVTD-UHFFFAOYSA-N -1 1 276.361 2.686 10 0 CFAEMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@@H](C)CC(C)C ZINC000035357262 172147903 /nfs/dbraw/zinc/14/79/03/172147903.db2.gz UMNLVTLPJZVRKK-ZETCQYMHSA-N -1 1 296.845 2.818 10 0 CFAEMM CCOc1ccc2nc(SC[C@H](C)C(=O)[O-])[nH]c2c1 ZINC000035756532 172397124 /nfs/dbraw/zinc/39/71/24/172397124.db2.gz VLVPSHKTOUDCLQ-QMMMGPOBSA-N -1 1 280.349 2.774 10 0 CFAEMM CCOC(=O)c1cc2oc(Br)cc2[n-]1 ZINC000035960025 172425519 /nfs/dbraw/zinc/42/55/19/172425519.db2.gz MLBWLOCPAYJAFP-UHFFFAOYSA-N -1 1 258.071 2.700 10 0 CFAEMM CC(C)[C@](C)(Cc1nc2ccc(F)cc2[nH]1)C(=O)[O-] ZINC000037438940 173209335 /nfs/dbraw/zinc/20/93/35/173209335.db2.gz RYDBCTPRWHNOSX-AWEZNQCLSA-N -1 1 264.300 2.991 10 0 CFAEMM CCN(Cc1ccc2ccccc2n1)[C@@H](C)C(=O)[O-] ZINC000662217584 414463525 /nfs/dbraw/zinc/46/35/25/414463525.db2.gz WDLVKZODLSQEMA-NSHDSACASA-N -1 1 258.321 2.530 10 0 CFAEMM CCN(Cc1ccc2ccccc2n1)[C@H](C)C(=O)[O-] ZINC000662217581 414463709 /nfs/dbraw/zinc/46/37/09/414463709.db2.gz WDLVKZODLSQEMA-LLVKDONJSA-N -1 1 258.321 2.530 10 0 CFAEMM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)s1 ZINC000042558408 174794759 /nfs/dbraw/zinc/79/47/59/174794759.db2.gz LWYKRYOGLWEGOP-NKWVEPMBSA-N -1 1 282.818 2.509 10 0 CFAEMM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1N ZINC000043319787 175005718 /nfs/dbraw/zinc/00/57/18/175005718.db2.gz GGKNPGNEFIAVIL-UHFFFAOYSA-N -1 1 294.351 2.826 10 0 CFAEMM COC(=O)[C@H](CC(C)C)n1c(=S)[n-]nc1C1CC1 ZINC000043436502 175045361 /nfs/dbraw/zinc/04/53/61/175045361.db2.gz BBLABSSVSWNTPZ-VIFPVBQESA-N -1 1 269.370 2.578 10 0 CFAEMM CCOC(=O)[C@H](NCC(C)C)c1ccc([O-])c(Cl)c1 ZINC000043489539 175056280 /nfs/dbraw/zinc/05/62/80/175056280.db2.gz SDEVGTBOXAWBKL-CYBMUJFWSA-N -1 1 285.771 2.895 10 0 CFAEMM CC[C@H](C)N[C@@H](C(=O)OC)c1ccc([O-])c(Cl)c1 ZINC000043489621 175057301 /nfs/dbraw/zinc/05/73/01/175057301.db2.gz APRZRXCBNYFTDR-QPUJVOFHSA-N -1 1 271.744 2.648 10 0 CFAEMM CC(C)[C@H](C)NC(=O)c1ccc(Br)cc1[O-] ZINC000044490569 175180532 /nfs/dbraw/zinc/18/05/32/175180532.db2.gz PCVLBYQTZXBEGK-QMMMGPOBSA-N -1 1 286.169 2.929 10 0 CFAEMM CCc1c2ccccc2oc1[C@H](C)N[C@H](C)c1nnn[n-]1 ZINC000044888203 175270886 /nfs/dbraw/zinc/27/08/86/175270886.db2.gz MHDDWNXXRGENIJ-VHSXEESVSA-N -1 1 285.351 2.920 10 0 CFAEMM CCc1c2ccccc2oc1[C@H](C)N[C@H](C)c1nn[n-]n1 ZINC000044888203 175270888 /nfs/dbraw/zinc/27/08/88/175270888.db2.gz MHDDWNXXRGENIJ-VHSXEESVSA-N -1 1 285.351 2.920 10 0 CFAEMM CCc1c2ccccc2oc1[C@H](C)N[C@@H](C)c1nnn[n-]1 ZINC000044888199 175271506 /nfs/dbraw/zinc/27/15/06/175271506.db2.gz MHDDWNXXRGENIJ-UWVGGRQHSA-N -1 1 285.351 2.920 10 0 CFAEMM CCc1c2ccccc2oc1[C@H](C)N[C@@H](C)c1nn[n-]n1 ZINC000044888199 175271508 /nfs/dbraw/zinc/27/15/08/175271508.db2.gz MHDDWNXXRGENIJ-UWVGGRQHSA-N -1 1 285.351 2.920 10 0 CFAEMM C[C@H](N[C@@H](C)c1cc(Cl)ccc1Cl)c1nn[n-]n1 ZINC000044922797 175277211 /nfs/dbraw/zinc/27/72/11/175277211.db2.gz AYBJRCFORQPJNC-BQBZGAKWSA-N -1 1 286.166 2.918 10 0 CFAEMM C[C@H](NCc1nnn[n-]1)c1ccc(-c2ccccc2)cc1 ZINC000044927617 175278203 /nfs/dbraw/zinc/27/82/03/175278203.db2.gz CLRLJMLTFKKRHH-LBPRGKRZSA-N -1 1 279.347 2.718 10 0 CFAEMM CCN(CC(=O)c1ccc([O-])cc1O)c1cccc(F)c1 ZINC000044928141 175278639 /nfs/dbraw/zinc/27/86/39/175278639.db2.gz SMABGIQKLAKMOF-UHFFFAOYSA-N -1 1 289.306 2.946 10 0 CFAEMM CCN(c1n[n-]c(=S)n1C)c1cccc(F)c1 ZINC000044929289 175278751 /nfs/dbraw/zinc/27/87/51/175278751.db2.gz UEHMPTTTYDTQLZ-UHFFFAOYSA-N -1 1 252.318 2.775 10 0 CFAEMM [O-]c1cccnc1-c1cccc(Br)n1 ZINC000072204092 176341994 /nfs/dbraw/zinc/34/19/94/176341994.db2.gz XEHBTOUNVCNONH-UHFFFAOYSA-N -1 1 251.083 2.612 10 0 CFAEMM CCNc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cn1 ZINC000050635530 520326094 /nfs/dbraw/zinc/32/60/94/520326094.db2.gz MOCURUNHPSKETJ-UHFFFAOYSA-N -1 1 291.376 2.623 10 0 CFAEMM CCN(Cc1csc(C(C)C)n1)[C@@H](C)CC(=O)[O-] ZINC000061182241 521441665 /nfs/dbraw/zinc/44/16/65/521441665.db2.gz IXQAORPIUOVIHS-JTQLQIEISA-N -1 1 270.398 2.952 10 0 CFAEMM CNc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cn1 ZINC000050640089 522636807 /nfs/dbraw/zinc/63/68/07/522636807.db2.gz LLWSUGLSVBSGRY-UHFFFAOYSA-N -1 1 297.767 2.578 10 0 CFAEMM COc1ccc([O-])c(C(=O)Nc2ccccc2C(C)=O)c1 ZINC000051770648 524734379 /nfs/dbraw/zinc/73/43/79/524734379.db2.gz FOTQJULIZHDPIF-UHFFFAOYSA-N -1 1 285.299 2.856 10 0 CFAEMM Cc1cc(Br)ccc1-n1ccc(=O)[n-]c1=S ZINC000052312457 526161927 /nfs/dbraw/zinc/16/19/27/526161927.db2.gz SEGOYOIZDFJYOI-UHFFFAOYSA-N -1 1 297.177 2.966 10 0 CFAEMM Cc1csc(Cn2c(=S)[n-]nc2C(C)C)n1 ZINC000049534079 526369068 /nfs/dbraw/zinc/36/90/68/526369068.db2.gz LLNQOLXRAMWRKO-UHFFFAOYSA-N -1 1 254.384 2.877 10 0 CFAEMM O=C([O-])c1cccc2nc(CC[C@@H]3CCCCO3)[nH]c21 ZINC000069397917 526394142 /nfs/dbraw/zinc/39/41/42/526394142.db2.gz NMEFXGYGQBCKIH-JTQLQIEISA-N -1 1 274.320 2.763 10 0 CFAEMM O=c1ccn(-c2ccccc2C(F)(F)F)c(=S)[n-]1 ZINC000052312555 527489571 /nfs/dbraw/zinc/48/95/71/527489571.db2.gz SKEUOBCXNPPONF-UHFFFAOYSA-N -1 1 272.251 2.914 10 0 CFAEMM O=c1ccnc(Sc2nnc(Cl)c3ccccc32)[n-]1 ZINC000050530621 527492374 /nfs/dbraw/zinc/49/23/74/527492374.db2.gz QRXFNBXQAYDYHX-UHFFFAOYSA-N -1 1 290.735 2.518 10 0 CFAEMM O=C([O-])[C@@H]([NH2+]Cc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000050510373 527654829 /nfs/dbraw/zinc/65/48/29/527654829.db2.gz NPNUITOQRJKFNT-AWEZNQCLSA-N -1 1 291.734 2.961 10 0 CFAEMM C[C@H](NC(=O)CCCC1CCCC1)c1cc(=O)[nH][n-]1 ZINC000898870753 620499230 /nfs/dbraw/zinc/49/92/30/620499230.db2.gz GJJWHGPRFDHPGG-JTQLQIEISA-N -1 1 265.357 2.653 10 0 CFAEMM Cc1ccccc1[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000899963681 620617351 /nfs/dbraw/zinc/61/73/51/620617351.db2.gz GJUXGEYWAZYFDY-NSHDSACASA-N -1 1 297.358 2.859 10 0 CFAEMM COc1ncccc1[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000047521291 650236654 /nfs/dbraw/zinc/23/66/54/650236654.db2.gz LTBXHYGYYPWYQE-LUAWRHEFSA-N -1 1 290.344 2.503 10 0 CFAEMM O=C([O-])[C@H](c1cc(Cl)ccc1F)N1CCCC1 ZINC000082567672 178098630 /nfs/dbraw/zinc/09/86/30/178098630.db2.gz VQPOLBDJVCZOKZ-NSHDSACASA-N -1 1 257.692 2.701 10 0 CFAEMM COc1ccc(OC)c(CC(=O)c2ccc([O-])cc2O)c1 ZINC000095934511 185033316 /nfs/dbraw/zinc/03/33/16/185033316.db2.gz REMBKOKSZWCKDJ-UHFFFAOYSA-N -1 1 288.299 2.540 10 0 CFAEMM Cc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2F)o1 ZINC000163730419 232258414 /nfs/dbraw/zinc/25/84/14/232258414.db2.gz JLGMTTKNUQSVRF-SECBINFHSA-N -1 1 263.268 2.924 10 0 CFAEMM O=S(=O)([N-]c1ccc(CO)cc1)c1cccc(Cl)c1 ZINC000085202881 178969804 /nfs/dbraw/zinc/96/98/04/178969804.db2.gz JNZRKQWIGBTEDI-UHFFFAOYSA-N -1 1 297.763 2.633 10 0 CFAEMM [O-]c1cc(C2CCC2)cc2nc(CC(F)(F)F)nn21 ZINC000725243041 539557170 /nfs/dbraw/zinc/55/71/70/539557170.db2.gz HATRKCUMWYIJMZ-UHFFFAOYSA-N -1 1 271.242 2.807 10 0 CFAEMM Cn1nccc1-c1cnc(NC(=O)OC(C)(C)C)c([O-])c1 ZINC000147866599 347948631 /nfs/dbraw/zinc/94/86/31/347948631.db2.gz WOUHDJSMKOYKGF-UHFFFAOYSA-N -1 1 290.323 2.535 10 0 CFAEMM Cn1c(=O)c([O-])cnc1-c1cccc(-c2ccccc2)c1 ZINC000148067150 347949067 /nfs/dbraw/zinc/94/90/67/347949067.db2.gz XFQLJHLLJPLAPL-UHFFFAOYSA-N -1 1 278.311 2.820 10 0 in-vitro CFAEMM Oc1ccc(CNCc2cc(Br)cs2)nc1 ZINC000086791959 179335888 /nfs/dbraw/zinc/33/58/88/179335888.db2.gz GNDAWJBXLLEHBT-UHFFFAOYSA-N -1 1 299.193 2.901 10 0 CFAEMM C[C@@H](c1ccccc1OC(F)F)N1CC(CC(=O)[O-])C1 ZINC000086812162 179341476 /nfs/dbraw/zinc/34/14/76/179341476.db2.gz CANZXQHXLMQWDZ-VIFPVBQESA-N -1 1 285.290 2.756 10 0 CFAEMM O=C([O-])[C@@H]1CCCCC[N@@H+]1Cc1ccc([O-])c(Cl)c1 ZINC000086814422 179342480 /nfs/dbraw/zinc/34/24/80/179342480.db2.gz CVQLUXAZHFCMHD-LBPRGKRZSA-N -1 1 283.755 2.875 10 0 CFAEMM O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1ccc([O-])c(Cl)c1 ZINC000086814422 179342483 /nfs/dbraw/zinc/34/24/83/179342483.db2.gz CVQLUXAZHFCMHD-LBPRGKRZSA-N -1 1 283.755 2.875 10 0 CFAEMM O=C1O[C@@]([O-])(C(F)(F)F)c2cccc3cccc1c32 ZINC000196435461 348148205 /nfs/dbraw/zinc/14/82/05/348148205.db2.gz HZBNJSLAWDOPAQ-GFCCVEGCSA-N -1 1 268.190 2.718 10 0 CFAEMM [O-]c1c(Br)cc(O)cc1C(F)(F)F ZINC000218247443 348166664 /nfs/dbraw/zinc/16/66/64/348166664.db2.gz ITFWEDDXNYAGEP-UHFFFAOYSA-N -1 1 257.005 2.879 10 0 CFAEMM CCC[S@](=O)Nc1cccc(Br)c1[O-] ZINC000306809497 348392529 /nfs/dbraw/zinc/39/25/29/348392529.db2.gz SEJIABSVRZKVMX-AWEZNQCLSA-N -1 1 278.171 2.640 10 0 CFAEMM CC(C)(C)N1CCOC[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000616636327 352394166 /nfs/dbraw/zinc/39/41/66/352394166.db2.gz DLQKXIKBDQKESM-CYBMUJFWSA-N -1 1 263.337 2.557 10 0 CFAEMM O=C(N[C@H]1C[C@H]2CC[C@@H]1O2)c1cc2ccccc2cc1[O-] ZINC000156699853 188277710 /nfs/dbraw/zinc/27/77/10/188277710.db2.gz ZSKSKPPLZOAGOS-INWMFGNUSA-N -1 1 283.327 2.595 10 0 CFAEMM O=C([O-])c1coc(CN2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000387285019 540861705 /nfs/dbraw/zinc/86/17/05/540861705.db2.gz YXUGLYSOJUPITH-JQWIXIFHSA-N -1 1 264.325 2.527 10 0 CFAEMM O=C(N[C@@H]1CCOc2ccccc21)c1ccc([O-])cc1F ZINC000181059132 189287203 /nfs/dbraw/zinc/28/72/03/189287203.db2.gz UVRWPCRLHYRJFB-CQSZACIVSA-N -1 1 287.290 2.785 10 0 CFAEMM Nc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000034955806 372519476 /nfs/dbraw/zinc/51/94/76/372519476.db2.gz CAHLBZXSPYQDIO-UHFFFAOYSA-N -1 1 282.752 2.723 10 0 CFAEMM O=C([O-])c1cccnc1CN1CCC[C@@H]1c1ccccn1 ZINC000065406462 373868709 /nfs/dbraw/zinc/86/87/09/373868709.db2.gz QAUDXAKDTNBPKF-OAHLLOKOSA-N -1 1 283.331 2.512 10 0 CFAEMM Cc1ccncc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000135551811 378143720 /nfs/dbraw/zinc/14/37/20/378143720.db2.gz SYKOVFJJOWIQMM-UHFFFAOYSA-N -1 1 270.332 2.720 10 0 CFAEMM O=C(c1cc(Cl)ccc1[O-])N1C[C@@H]2CCC[C@@H]21 ZINC000335777569 379871654 /nfs/dbraw/zinc/87/16/54/379871654.db2.gz JSNLSZFGXQFXTM-KWQFWETISA-N -1 1 251.713 2.670 10 0 CFAEMM O=C(c1ncccc1[O-])N1CCCC[C@H]1c1nccs1 ZINC000153910266 296305695 /nfs/dbraw/zinc/30/56/95/296305695.db2.gz CVJCDYLIYASMIE-JTQLQIEISA-N -1 1 289.360 2.611 10 0 CFAEMM CN(Cc1nc(C(=O)[O-])co1)C1CCCCCC1 ZINC000386613198 382589443 /nfs/dbraw/zinc/58/94/43/382589443.db2.gz CAEYIHXLVFQQMR-UHFFFAOYSA-N -1 1 252.314 2.527 10 0 CFAEMM COC(=O)Cc1cc(Cl)cc([O-])c1C(F)(F)F ZINC000575712657 382793934 /nfs/dbraw/zinc/79/39/34/382793934.db2.gz IYIPURCCXFASDX-UHFFFAOYSA-N -1 1 268.618 2.780 10 0 CFAEMM O=c1[n-]c(C(F)(F)F)nc2c(Br)nccc12 ZINC000575602284 382774883 /nfs/dbraw/zinc/77/48/83/382774883.db2.gz WXBRNLNIEMQENE-UHFFFAOYSA-N -1 1 294.030 2.512 10 0 CFAEMM O=Cc1cc([O-])c(I)cc1C(F)F ZINC000575669749 382783283 /nfs/dbraw/zinc/78/32/83/382783283.db2.gz MNLDBSHCMHLZAE-UHFFFAOYSA-N -1 1 298.026 2.747 10 0 CFAEMM COC(=O)c1c(Br)c([O-])ccc1C(F)F ZINC000575710419 382793329 /nfs/dbraw/zinc/79/33/29/382793329.db2.gz GOZYXGDAGBMYFA-UHFFFAOYSA-N -1 1 281.052 2.879 10 0 CFAEMM CCC[C@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)c1nn[n-]n1 ZINC000248418188 383239981 /nfs/dbraw/zinc/23/99/81/383239981.db2.gz SDSSDRXBVKJRRU-WOPDTQHZSA-N -1 1 293.415 2.620 10 0 CFAEMM Cc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2[O-])o1 ZINC000081933782 393738006 /nfs/dbraw/zinc/73/80/06/393738006.db2.gz FJLKMMBMNZPJIU-SECBINFHSA-N -1 1 263.268 2.924 10 0 CFAEMM O=C([O-])c1coc(CN2CC[C@@H](C3CCCCC3)C2)n1 ZINC000656761315 413189789 /nfs/dbraw/zinc/18/97/89/413189789.db2.gz NZKCRLMIXPMZSE-GFCCVEGCSA-N -1 1 278.352 2.775 10 0 CFAEMM COc1cccc(O[C@@H](C)c2n[n-]c(=S)n2C)c1 ZINC000019999248 170965271 /nfs/dbraw/zinc/96/52/71/170965271.db2.gz SMNPLDJLCKANND-QMMMGPOBSA-N -1 1 265.338 2.626 10 0 CFAEMM Cc1n[n-]c(=S)n1CCCN(C)c1ccccc1 ZINC000020589658 171260899 /nfs/dbraw/zinc/26/08/99/171260899.db2.gz GBNGNZCSHPQRBN-UHFFFAOYSA-N -1 1 262.382 2.776 10 0 CFAEMM Cc1cccc(S(=O)(=O)[N-]c2cccc(N)c2C)c1 ZINC000022141525 171354948 /nfs/dbraw/zinc/35/49/48/171354948.db2.gz DSZICNBVPVYIIX-UHFFFAOYSA-N -1 1 276.361 2.686 10 0 CFAEMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2N)cc1 ZINC000022142766 171355589 /nfs/dbraw/zinc/35/55/89/171355589.db2.gz RARPZLLRCLDCDC-UHFFFAOYSA-N -1 1 280.324 2.517 10 0 CFAEMM Cc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)c(N)c1 ZINC000037064669 172928052 /nfs/dbraw/zinc/92/80/52/172928052.db2.gz UGIYHPONMPHHAC-UHFFFAOYSA-N -1 1 290.388 2.995 10 0 CFAEMM CC(C)C[C@@H](NCc1nc2ccccc2s1)C(=O)[O-] ZINC000043443508 175047034 /nfs/dbraw/zinc/04/70/34/175047034.db2.gz GDPYZOPSGGQZEP-LLVKDONJSA-N -1 1 278.377 2.885 10 0 CFAEMM NC(=O)c1cc(NCc2ccc([O-])c(Cl)c2)ccc1F ZINC000043478667 175055221 /nfs/dbraw/zinc/05/52/21/175055221.db2.gz HOELUPNWZOVHGR-UHFFFAOYSA-N -1 1 294.713 2.896 10 0 CFAEMM CCn1cc(NCc2ccc([O-])c(Cl)c2)ccc1=O ZINC000043480311 175055848 /nfs/dbraw/zinc/05/58/48/175055848.db2.gz GNDULFDQALNFRE-UHFFFAOYSA-N -1 1 278.739 2.839 10 0 CFAEMM CC[C@@H](C)[NH2+][C@@H](C(=O)[O-])c1ccc([O-])c(Cl)c1 ZINC000043489612 175057461 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