smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ncccc1NCc1cc2c(cc1O)OCO2 ZINC000042879933 521626085 /nfs/dbraw/zinc/62/60/85/521626085.db2.gz YMOAWVIDWCIROG-UHFFFAOYSA-N 0 0 288.303 2.527 10 10 CFCERN C[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000191394113 525011590 /nfs/dbraw/zinc/01/15/90/525011590.db2.gz MBSDLZCLGGORAW-CJNGLKHVSA-N 0 0 290.407 2.526 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]C[C@H]1CCCSC1 ZINC000290228124 526331109 /nfs/dbraw/zinc/33/11/09/526331109.db2.gz SPPDVTVXMBCYOF-SNVBAGLBSA-N 0 0 255.358 2.764 10 10 CFCERN Nc1ccc(CCNc2ncnc3c2CCCC3)cc1 ZINC000094872470 619170370 /nfs/dbraw/zinc/17/03/70/619170370.db2.gz XFQOJCIQNGYWMV-UHFFFAOYSA-N 0 0 268.364 2.592 10 10 CFCERN CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1cccc(F)c1[O-] ZINC000165017443 622978620 /nfs/dbraw/zinc/97/86/20/622978620.db2.gz IHWCWCSXEGSWNF-CQSZACIVSA-N 0 0 291.370 2.932 10 10 CFCERN C[C@@H]1Nc2ccccc2[C@@H]1C=C1SC(=S)NC1=O ZINC000228800126 623163199 /nfs/dbraw/zinc/16/31/99/623163199.db2.gz JXBGQGJBAFNIKX-BTNKMJATSA-N 0 0 276.386 2.616 10 10 CFCERN C[C@H](Cc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000152582171 623739720 /nfs/dbraw/zinc/73/97/20/623739720.db2.gz JIWXUBYSASPPKS-CQSZACIVSA-N 0 0 282.387 2.806 10 10 CFCERN Cc1ccc(-n2cnnn2)cc1N[C@H](C)c1ccccc1O ZINC000192767096 650593681 /nfs/dbraw/zinc/59/36/81/650593681.db2.gz UUOZHQUUCKKYSR-GFCCVEGCSA-N 0 0 295.346 2.849 10 10 CFCERN COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1C ZINC000086787138 650797385 /nfs/dbraw/zinc/79/73/85/650797385.db2.gz TZHGVEPDAHRPEU-ZIAGYGMSSA-N 0 0 277.364 2.737 10 10 CFCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000089159928 650829264 /nfs/dbraw/zinc/82/92/64/650829264.db2.gz GPRFTUWKEQTCSP-PRHODGIISA-N 0 0 290.190 2.950 10 10 CFCERN CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000246182498 650857374 /nfs/dbraw/zinc/85/73/74/650857374.db2.gz GMMYFTZUSHMYHC-YPMHNXCESA-N 0 0 266.360 2.666 10 10 CFCERN C[N+](C)(C)CCO[P@](=O)([O-])Oc1ccc(N=N)cc1 ZINC000006068120 717103517 /nfs/dbraw/zinc/10/35/17/717103517.db2.gz VGCXWMJUXQAJKI-UHFFFAOYSA-O 0 0 288.264 2.551 10 10 CFCERN C[C@@H]([NH3+])c1cc(Cl)cc(Br)c1[O-] ZINC000024863215 346257601 /nfs/dbraw/zinc/25/76/01/346257601.db2.gz GEVWPFPWSITIJQ-SCSAIBSYSA-N 0 0 250.523 2.828 10 10 CFCERN Oc1ccc(C2=NN[C@H](c3ccc(F)cc3)C2)cc1 ZINC000038212472 346338155 /nfs/dbraw/zinc/33/81/55/346338155.db2.gz XPZGDBGOXFNQLW-AWEZNQCLSA-N 0 0 256.280 2.970 10 10 CFCERN C[C@@H]1C[C@H](C)CN(c2cc3c(cc2N)OCCO3)C1 ZINC000019868429 136579232 /nfs/dbraw/zinc/57/92/32/136579232.db2.gz UAVKXGFPPWTLKG-PHIMTYICSA-N 0 0 262.353 2.522 10 10 CFCERN [N-]=[N+]=NCC(=O)c1ccc(I)cc1 ZINC000130739969 347874095 /nfs/dbraw/zinc/87/40/95/347874095.db2.gz XNUIANBLMRDZLP-UHFFFAOYSA-N 0 0 287.060 2.784 10 10 CFCERN CC(=O)Nc1ccc2c(c1)-c1ccccc1C(=O)C2=O ZINC000142101304 347932339 /nfs/dbraw/zinc/93/23/39/347932339.db2.gz VPLRMSQSSTVRRR-UHFFFAOYSA-N 0 0 265.268 2.691 10 10 CFCERN Cc1cc(N2C(=O)c3ccccc3C2=O)c(C)cc1N ZINC000164969524 348038026 /nfs/dbraw/zinc/03/80/26/348038026.db2.gz QSJYEKUGPJJJFH-UHFFFAOYSA-N 0 0 266.300 2.686 10 10 CFCERN Oc1cc(Br)cc(C(F)(F)F)c1O ZINC000218247523 348166699 /nfs/dbraw/zinc/16/66/99/348166699.db2.gz XPAWJVPFPOANGE-UHFFFAOYSA-N 0 0 257.005 2.879 10 10 CFCERN COc1cc(Br)c([O-])c([C@H]2CCC[NH2+]2)c1 ZINC000218766356 348167362 /nfs/dbraw/zinc/16/73/62/348167362.db2.gz YHBWKXZMKNMLOO-SNVBAGLBSA-N 0 0 272.142 2.588 10 10 CFCERN [NH3+][C@H](CF)c1c([O-])c(Cl)ccc1Br ZINC000306987125 348394310 /nfs/dbraw/zinc/39/43/10/348394310.db2.gz YGPBODPPVXCEDV-ZCFIWIBFSA-N 0 0 268.513 2.777 10 10 CFCERN CC(=O)c1ccc(OCc2ccccc2)c(O)c1O ZINC000002559226 371736015 /nfs/dbraw/zinc/73/60/15/371736015.db2.gz ATPRISWXCSYAJU-UHFFFAOYSA-N 0 0 258.273 2.879 10 10 CFCERN N[C@@H](c1ccc(Br)cc1O)C(F)(F)F ZINC000072190866 295295623 /nfs/dbraw/zinc/29/56/23/295295623.db2.gz QASXNQUVZLASNT-ZETCQYMHSA-N 0 0 270.048 2.717 10 10 CFCERN CCn1c(C)nnc1CN(C)c1ccc(OC)c(Cl)c1 ZINC000177072816 380300738 /nfs/dbraw/zinc/30/07/38/380300738.db2.gz MVKVZFLNHDGXEU-UHFFFAOYSA-N 0 0 294.786 2.905 10 10 CFCERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1cc(F)ccc1O ZINC000180209209 380633562 /nfs/dbraw/zinc/63/35/62/380633562.db2.gz ARNGJTSBNFCVAG-SNVBAGLBSA-N 0 0 283.343 2.693 10 10 CFCERN CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000186101597 381822761 /nfs/dbraw/zinc/82/27/61/381822761.db2.gz NTSWWXFBXUQMJD-XUJVJEKNSA-N 0 0 280.387 2.911 10 10 CFCERN CN(C)c1ccc(/C=C/C(=O)N2CCCCC2)cc1 ZINC000005333912 170086657 /nfs/dbraw/zinc/08/66/57/170086657.db2.gz CLWXTTMGBZIVGF-DHZHZOJOSA-N 0 0 258.365 2.778 10 10 CFCERN COc1ccc(N2Cc3ccc(N)cc3C2)cc1OC ZINC000011731117 170435129 /nfs/dbraw/zinc/43/51/29/170435129.db2.gz KQWDYFMNWLSJKK-UHFFFAOYSA-N 0 0 270.332 2.806 10 10 CFCERN Cc1nn(C)c(C)c1N[C@H](C)c1cc(O)ccc1O ZINC000020135137 171022872 /nfs/dbraw/zinc/02/28/72/171022872.db2.gz TVFMAPPEDXCNHT-MRVPVSSYSA-N 0 0 261.325 2.621 10 10 CFCERN CN(c1ccc(N)cc1)S(=O)(=O)c1ccccc1Cl ZINC000020473781 171218305 /nfs/dbraw/zinc/21/83/05/171218305.db2.gz IQFNFBMBJJTTET-UHFFFAOYSA-N 0 0 296.779 2.747 10 10 CFCERN COc1ccccc1NC(=O)Nc1ccc(N)cc1 ZINC000021953530 171340438 /nfs/dbraw/zinc/34/04/38/171340438.db2.gz FBMQAUVQHBIEGD-UHFFFAOYSA-N 0 0 257.293 2.921 10 10 CFCERN C[C@@H]1C(=O)c2c(F)c(F)c(F)c(F)c2C(=O)[C@@H]1F ZINC000005359058 277659972 /nfs/dbraw/zinc/65/99/72/277659972.db2.gz BXXPRZHLICKJRD-JLAZNSOCSA-N 0 0 264.149 2.596 10 10 CFCERN CC(=O)c1cc(Cl)cc(CN2[C@H](C)COC[C@H]2C)c1O ZINC000177288455 278244017 /nfs/dbraw/zinc/24/40/17/278244017.db2.gz FUQUCZYQANKGLB-NXEZZACHSA-N 0 0 297.782 2.857 10 10 CFCERN C[NH+](C)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000134163742 289316958 /nfs/dbraw/zinc/31/69/58/289316958.db2.gz JYFVYRHMXAHORY-LLVKDONJSA-N 0 0 289.206 2.835 10 10 CFCERN CC(=O)c1cc(F)cc(CN2CCS[C@@H](C)C2)c1O ZINC000079413954 518286594 /nfs/dbraw/zinc/28/65/94/518286594.db2.gz NQXRUTPAWROQCK-VIFPVBQESA-N 0 0 283.368 2.671 10 10 CFCERN CC(C)Oc1nc(Cl)nc(Sc2nccs2)n1 ZINC000061544193 519785757 /nfs/dbraw/zinc/78/57/57/519785757.db2.gz YXHGZZVFJUGXTA-UHFFFAOYSA-N 0 0 288.785 2.920 10 10 CFCERN CCOC[C@@H]([NH2+]Cc1cccc(F)c1[O-])C(C)C ZINC000233736013 520089381 /nfs/dbraw/zinc/08/93/81/520089381.db2.gz BQLLDSIPXMMSJP-CYBMUJFWSA-N 0 0 255.333 2.682 10 10 CFCERN COc1c(CN(C)c2ccc(OC)c(F)c2)c(C)nn1C ZINC000180774950 521815854 /nfs/dbraw/zinc/81/58/54/521815854.db2.gz ZZLWVOUIAWMSAJ-UHFFFAOYSA-N 0 0 293.342 2.521 10 10 CFCERN CCc1nnc(CN(C)c2ccc(OC(C)C)cc2)n1C ZINC000191580125 522727485 /nfs/dbraw/zinc/72/74/85/522727485.db2.gz XOENYTQHKWQHDV-UHFFFAOYSA-N 0 0 288.395 2.801 10 10 CFCERN CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cccc(F)c1[O-] ZINC000160192019 523517743 /nfs/dbraw/zinc/51/77/43/523517743.db2.gz CPKZDBIBJSLEHA-ZYHUDNBSSA-N 0 0 253.317 2.531 10 10 CFCERN Cc1cc(C(=O)N[C@H]2C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000075517007 524156390 /nfs/dbraw/zinc/15/63/90/524156390.db2.gz HDORBCKIQKBGQS-HZMBPMFUSA-N 0 0 269.348 2.627 10 10 CFCERN C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc(F)c1[O-] ZINC000227688388 524434911 /nfs/dbraw/zinc/43/49/11/524434911.db2.gz YAUNCDIQNRYFQD-SNVBAGLBSA-N 0 0 298.358 2.534 10 10 CFCERN C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000273368651 525406604 /nfs/dbraw/zinc/40/66/04/525406604.db2.gz BWKSXAOJEJPYAO-ZANVPECISA-N 0 0 255.333 2.589 10 10 CFCERN C[C@H](SC1CCOCC1)C(=O)Nc1ccc(N)cc1 ZINC000062053994 525971564 /nfs/dbraw/zinc/97/15/64/525971564.db2.gz HLOREONSLRZELM-JTQLQIEISA-N 0 0 280.393 2.508 10 10 CFCERN C[C@@H](c1ccccc1O)N(C)C(=O)c1cscn1 ZINC000062357757 526107255 /nfs/dbraw/zinc/10/72/55/526107255.db2.gz GVZZYFURVDHQAG-VIFPVBQESA-N 0 0 262.334 2.682 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]CCCC(F)(F)F ZINC000158826958 526328194 /nfs/dbraw/zinc/32/81/94/526328194.db2.gz SBBQQXOPJYXLMO-UHFFFAOYSA-N 0 0 251.223 2.963 10 10 CFCERN O=S(=O)(/C=C\c1ccccc1)Nc1ccc(O)cc1 ZINC000255886137 618611508 /nfs/dbraw/zinc/61/15/08/618611508.db2.gz GGHVBZQYNLDELN-KHPPLWFESA-N 0 0 275.329 2.805 10 10 CFCERN Oc1c(F)cccc1CN1CC(F)(F)C(F)(F)C1 ZINC000313301010 618979991 /nfs/dbraw/zinc/97/99/91/618979991.db2.gz UXRJDFHRAMPLIA-UHFFFAOYSA-N 0 0 267.197 2.618 10 10 CFCERN CCOC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000313466670 618990142 /nfs/dbraw/zinc/99/01/42/618990142.db2.gz FTZLPUPHQQOLKZ-CYBMUJFWSA-N 0 0 267.344 2.922 10 10 CFCERN Nc1ccc(CCNc2nc(C(F)(F)F)ns2)cc1 ZINC000228789166 623163625 /nfs/dbraw/zinc/16/36/25/623163625.db2.gz PYVCTEVWWDFHSJ-UHFFFAOYSA-N 0 0 288.298 2.794 10 10 CFCERN CC(C)[C@H](C)NC(=O)NCCCSc1nccs1 ZINC000151634951 623545074 /nfs/dbraw/zinc/54/50/74/623545074.db2.gz PUMLZKGBPDFMOW-JTQLQIEISA-N 0 0 287.454 2.969 10 10 CFCERN [O-]c1c(Cl)cccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000124695424 642301209 /nfs/dbraw/zinc/30/12/09/642301209.db2.gz JLDCHNCQTPDFQQ-NSHDSACASA-N 0 0 255.745 2.704 10 10 CFCERN C[C@@H]([NH3+])c1cc(Br)cc(Br)c1[O-] ZINC000024863125 346257484 /nfs/dbraw/zinc/25/74/84/346257484.db2.gz YDGBUKKPUBCAEQ-SCSAIBSYSA-N 0 0 294.974 2.937 10 10 CFCERN O=C(C(=O)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000137943714 347914891 /nfs/dbraw/zinc/91/48/91/347914891.db2.gz NYPMZXUQEGUPEP-UHFFFAOYSA-N 0 0 252.269 2.687 10 10 CFCERN CC1(C)C(c2ccccc2)=[N+]([O-])[C@@H](c2ccccc2O)N1O ZINC000140413994 347925573 /nfs/dbraw/zinc/92/55/73/347925573.db2.gz ZDXHVBOMPRRMMQ-MRXNPFEDSA-O 0 0 299.350 2.765 10 10 CFCERN [O-]c1c(Br)ccc(F)c1[C@@H]1CCC[NH2+]1 ZINC000218371571 348166540 /nfs/dbraw/zinc/16/65/40/348166540.db2.gz MRGPJWGIVHBOLQ-QMMMGPOBSA-N 0 0 260.106 2.718 10 10 CFCERN COc1ccc2c(c1)C(=O)c1c-2nnc2ccccc12 ZINC000584617651 348691548 /nfs/dbraw/zinc/69/15/48/348691548.db2.gz GAWOTBDVGZOTOT-UHFFFAOYSA-N 0 0 262.268 2.850 10 10 CFCERN OCCc1ccc([C@H]2CNc3ccccc3N2)cc1 ZINC000616679053 352409905 /nfs/dbraw/zinc/40/99/05/352409905.db2.gz BJIQRMXRSRJSBN-MRXNPFEDSA-N 0 0 254.333 2.800 10 10 CFCERN CCN1C(=O)/C(=C/c2cc(C)ccc2O)SC1=S ZINC000001180876 371663240 /nfs/dbraw/zinc/66/32/40/371663240.db2.gz UFVWCBFLYILRRP-XFFZJAGNSA-N 0 0 279.386 2.922 10 10 CFCERN COc1cccc(CCc2cc(O)c(O)c(OC)c2)c1 ZINC000014505344 372069030 /nfs/dbraw/zinc/06/90/30/372069030.db2.gz DEMRUANQYFMYPI-UHFFFAOYSA-N 0 0 274.316 2.900 10 10 CFCERN Oc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)CC2 ZINC000014805990 372073934 /nfs/dbraw/zinc/07/39/34/372073934.db2.gz CGMAURJQFORKCX-CQSZACIVSA-N 0 0 258.273 2.870 10 10 CFCERN C[C@H](OCC(F)(F)C(F)F)C(=O)Nc1ccc(N)cc1 ZINC000034958330 372521556 /nfs/dbraw/zinc/52/15/56/372521556.db2.gz PEBDRKFCRUPZDO-ZETCQYMHSA-N 0 0 294.248 2.513 10 10 CFCERN CCCC1=NN2C(=NC(=O)/C(=C\c3ccncc3)C2=N)S1 ZINC000041083426 372810670 /nfs/dbraw/zinc/81/06/70/372810670.db2.gz KVDHFWVLXWURIE-QHDOCQFZSA-N 0 0 299.359 2.501 10 10 CFCERN O=C1NC(=S)C(=Cc2cccc([N+](=O)[O-])c2)S1 ZINC000072414721 374249200 /nfs/dbraw/zinc/24/92/00/374249200.db2.gz KGRNUTJQNNZCQW-YVMONPNESA-N 0 0 266.303 2.720 10 10 CFCERN CCn1c(C)nnc1COc1ccc(N2CCCC2)cc1 ZINC000180400912 380652594 /nfs/dbraw/zinc/65/25/94/380652594.db2.gz RQQNQDQABNPMMR-UHFFFAOYSA-N 0 0 286.379 2.786 10 10 CFCERN O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000182550246 381111159 /nfs/dbraw/zinc/11/11/59/381111159.db2.gz MCCKGEFFQBKGHH-ZIAGYGMSSA-N 0 0 289.375 2.930 10 10 CFCERN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCO[C@H]1C ZINC000189366864 382599375 /nfs/dbraw/zinc/59/93/75/382599375.db2.gz PUSUXAMPBCUNCA-ZFWWWQNUSA-N 0 0 291.391 2.946 10 10 CFCERN Nc1ccc(O[C@H]2CCCC[C@@]2(O)C(F)(F)F)cc1 ZINC000575433907 382770834 /nfs/dbraw/zinc/77/08/34/382770834.db2.gz UYEQDRKVZSWUJC-RYUDHWBXSA-N 0 0 275.270 2.884 10 10 CFCERN O=C1c2ncn(Cc3ccccc3)c2C(=O)c2ccccc21 ZINC000015906203 285028043 /nfs/dbraw/zinc/02/80/43/285028043.db2.gz UDRWOJCOKLZHSG-UHFFFAOYSA-N 0 0 288.306 2.707 10 10 CFCERN CC[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@H](C)O1 ZINC000272301746 385504593 /nfs/dbraw/zinc/50/45/93/385504593.db2.gz PWDNYBWNGXHGNG-CMPLNLGQSA-N 0 0 253.317 2.531 10 10 CFCERN CS(=O)(=O)Nc1cc(Cl)c(O)c2ccccc12 ZINC000200089886 393747841 /nfs/dbraw/zinc/74/78/41/393747841.db2.gz ZZOBBNPJFPANFJ-UHFFFAOYSA-N 0 0 271.725 2.570 10 10 CFCERN COc1ccc(O)c([C@H]2CC(c3cccs3)=NN2)c1 ZINC000020390640 171179377 /nfs/dbraw/zinc/17/93/77/171179377.db2.gz YZYCPIPBKTWTEI-LLVKDONJSA-N 0 0 274.345 2.901 10 10 CFCERN COc1cccc([C@H]2CC(c3ccc(F)cc3)=NN2)c1O ZINC000020390670 171179440 /nfs/dbraw/zinc/17/94/40/171179440.db2.gz GVXIPFQCVMIMJB-CQSZACIVSA-N 0 0 286.306 2.979 10 10 CFCERN CC1=NNC(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000033323799 171783694 /nfs/dbraw/zinc/78/36/94/171783694.db2.gz OTSOEEMMFXRNCS-WQLSENKSSA-N 0 0 297.270 2.744 10 10 CFCERN Cc1ccc(C(=O)N(C)Cc2ccc(N)cc2)cc1 ZINC000035360212 172151109 /nfs/dbraw/zinc/15/11/09/172151109.db2.gz IZPBCQHMFCJBMJ-UHFFFAOYSA-N 0 0 254.333 2.849 10 10 CFCERN C[C@H](NC(=O)Cc1ccc(N)cc1)c1cccs1 ZINC000035736567 172389171 /nfs/dbraw/zinc/38/91/71/172389171.db2.gz ULICBDCNYOPRMP-JTQLQIEISA-N 0 0 260.362 2.750 10 10 CFCERN CCn1cc(N[C@H](C)c2ccc(OC)cc2O)cn1 ZINC000035779945 172414255 /nfs/dbraw/zinc/41/42/55/172414255.db2.gz ZOTNXTPQYWZSLJ-SNVBAGLBSA-N 0 0 261.325 2.790 10 10 CFCERN COc1ccc(O)c(CNc2ccccc2CO)c1 ZINC000037133552 172975402 /nfs/dbraw/zinc/97/54/02/172975402.db2.gz KGOVHVILXHHPJL-UHFFFAOYSA-N 0 0 259.305 2.505 10 10 CFCERN Cn1c2ccc(F)cc2nc1Cc1ccc(N)cc1 ZINC000037439199 173209248 /nfs/dbraw/zinc/20/92/48/173209248.db2.gz FMHADGVUSFRUSC-UHFFFAOYSA-N 0 0 255.296 2.885 10 10 CFCERN CC(C)n1nccc1NC(=O)CCc1ccc(N)cc1 ZINC000038051648 174063431 /nfs/dbraw/zinc/06/34/31/174063431.db2.gz HULBNPODNGSPMZ-UHFFFAOYSA-N 0 0 272.352 2.618 10 10 CFCERN N[C@H](c1ccc(Br)cc1O)C(F)(F)F ZINC000072195683 176338173 /nfs/dbraw/zinc/33/81/73/176338173.db2.gz QASXNQUVZLASNT-SSDOTTSWSA-N 0 0 270.048 2.717 10 10 CFCERN CC(C)[C@@H](C[NH2+]Cc1cccc(F)c1[O-])N1CCCC1 ZINC000164940695 519795079 /nfs/dbraw/zinc/79/50/79/519795079.db2.gz UCQVMDGDOOHMPB-OAHLLOKOSA-N 0 0 280.387 2.741 10 10 CFCERN CCC1(C[NH2+]Cc2cccc(F)c2[O-])CCOCC1 ZINC000272507848 519842859 /nfs/dbraw/zinc/84/28/59/519842859.db2.gz WQFLANTYAUBPPQ-UHFFFAOYSA-N 0 0 267.344 2.828 10 10 CFCERN CC1(C)C[C@@H]([NH2+]Cc2cccc(F)c2[O-])CCO1 ZINC000158835421 520524461 /nfs/dbraw/zinc/52/44/61/520524461.db2.gz LRXXZHQZWWVHOK-NSHDSACASA-N 0 0 253.317 2.579 10 10 CFCERN CN(C)[C@@H](C[NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000164932565 522029804 /nfs/dbraw/zinc/02/98/04/522029804.db2.gz PNZZRQCEAZKZER-INIZCTEOSA-N 0 0 288.366 2.924 10 10 CFCERN CN(C)[C@H](C[NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000164932684 522086546 /nfs/dbraw/zinc/08/65/46/522086546.db2.gz PNZZRQCEAZKZER-MRXNPFEDSA-N 0 0 288.366 2.924 10 10 CFCERN CC(C)c1nsc(NCCc2ccc(N)cc2)n1 ZINC000087642551 623203062 /nfs/dbraw/zinc/20/30/62/623203062.db2.gz DPOOQXMKDNCKBG-UHFFFAOYSA-N 0 0 262.382 2.898 10 10 CFCERN Cc1ccc(C(=O)N[C@H](C)c2cccs2)c(O)c1O ZINC000181778688 625215054 /nfs/dbraw/zinc/21/50/54/625215054.db2.gz XVEOVFBNOMPDLD-SECBINFHSA-N 0 0 277.345 2.959 10 10 CFCERN Cc1ncsc1C[NH2+]Cc1cccc(F)c1[O-] ZINC000158766988 650236336 /nfs/dbraw/zinc/23/63/36/650236336.db2.gz ZXJKZZWBJGOJNU-UHFFFAOYSA-N 0 0 252.314 2.586 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]C[C@@H]1CCCCS1 ZINC000158813866 650237026 /nfs/dbraw/zinc/23/70/26/650237026.db2.gz CGOOIMUWCMZMFT-NSHDSACASA-N 0 0 255.358 2.907 10 10 CFCERN [NH3+][C@H](c1cc(F)cc(Br)c1[O-])C1CC1 ZINC000095706836 650975632 /nfs/dbraw/zinc/97/56/32/650975632.db2.gz MIZHJMMWKVHNDJ-VIFPVBQESA-N 0 0 260.106 2.704 10 10 CFCERN [NH3+]C[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131357019 645706527 /nfs/dbraw/zinc/70/65/27/645706527.db2.gz PVJVJTIWSRULGS-SNVBAGLBSA-N 0 0 275.179 2.622 10 10 CFCERN Cc1cnc([C@@H](C)NCc2ccc3c(c2)CCO3)o1 ZINC000220933131 647166057 /nfs/dbraw/zinc/16/60/57/647166057.db2.gz DNOHUYGSCNNNAI-LLVKDONJSA-N 0 0 258.321 2.769 10 10 CFCERN COc1ccc(C(=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000145449709 347943903 /nfs/dbraw/zinc/94/39/03/347943903.db2.gz WAFUPXHOOUMVFV-UHFFFAOYSA-N 0 0 285.255 2.669 10 10 CFCERN Nc1ccc(Nc2ncnc(-c3ccccc3)n2)cc1 ZINC000146986482 347946503 /nfs/dbraw/zinc/94/65/03/347946503.db2.gz FCPNBQIAOOWDQR-UHFFFAOYSA-N 0 0 263.304 2.864 10 10 CFCERN CC(C)(C)OC(=O)N1CC[C@@H]1Cc1ccc(N)cc1 ZINC000218473851 348166275 /nfs/dbraw/zinc/16/62/75/348166275.db2.gz NSRBBQDDXQCXIV-CYBMUJFWSA-N 0 0 262.353 2.821 10 10 CFCERN C[C@]1(c2ccccc2)OC2(CCCCC2)C(=O)C1=O ZINC000584620319 348691883 /nfs/dbraw/zinc/69/18/83/348691883.db2.gz GMXMXKSMURIJSL-OAHLLOKOSA-N 0 0 258.317 2.773 10 10 CFCERN Cc1ccc(N2C(=O)C(=CNC3CC3)SC2=S)cc1 ZINC000618255256 352740024 /nfs/dbraw/zinc/74/00/24/352740024.db2.gz UIKBDZAYFCTESQ-WQLSENKSSA-N 0 0 290.413 2.953 10 10 CFCERN COc1cc(CCc2ccc(O)c(O)c2)cc(OC)c1 ZINC000000024638 371509748 /nfs/dbraw/zinc/50/97/48/371509748.db2.gz PBRZRNRAYCSTKB-UHFFFAOYSA-N 0 0 274.316 2.900 10 10 CFCERN CN(C)c1ccc(C=C2SC(=O)NC2=S)cc1 ZINC000056693665 373566764 /nfs/dbraw/zinc/56/67/64/373566764.db2.gz WZJCBKWAYFUVCJ-YFHOEESVSA-N 0 0 264.375 2.877 10 10 CFCERN Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)o1 ZINC000177665833 380364290 /nfs/dbraw/zinc/36/42/90/380364290.db2.gz VGHXHLVUEPFHGK-SNVBAGLBSA-N 0 0 275.304 2.799 10 10 CFCERN CCN(CC)c1ccc(CNC(=O)C[C@@H](O)C(C)C)cc1 ZINC000178901601 380492838 /nfs/dbraw/zinc/49/28/38/380492838.db2.gz QPZZCUBXHHJXIH-MRXNPFEDSA-N 0 0 292.423 2.556 10 10 CFCERN Cn1cc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)cn1 ZINC000180331513 380645953 /nfs/dbraw/zinc/64/59/53/380645953.db2.gz QJWVWBZJMYNLCZ-LLVKDONJSA-N 0 0 291.782 2.769 10 10 CFCERN COc1cc(Cl)cc(CN2C[C@@H](C)O[C@H](C)C2)c1O ZINC000184670410 381459122 /nfs/dbraw/zinc/45/91/22/381459122.db2.gz SJXKUUWZJCATTR-NXEZZACHSA-N 0 0 285.771 2.663 10 10 CFCERN CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(N)cc2)C1 ZINC000071257557 393639651 /nfs/dbraw/zinc/63/96/51/393639651.db2.gz LYKGTELGNPCUQI-ZDUSSCGKSA-N 0 0 291.395 2.762 10 10 CFCERN CCN(CC)c1ccc(NN=c2n(C)cnn2C)cc1 ZINC000005139428 170070141 /nfs/dbraw/zinc/07/01/41/170070141.db2.gz QNLALUUFWRGCOR-UVTIVQHFSA-N 0 0 274.372 2.721 10 10 CFCERN CN(C(=O)c1cc(F)ccc1F)c1ccc(N)cc1 ZINC000020373802 171169447 /nfs/dbraw/zinc/16/94/47/171169447.db2.gz BUIJHXCIXZIXBW-UHFFFAOYSA-N 0 0 262.259 2.824 10 10 CFCERN CN(C(=O)c1c(F)cccc1F)c1ccc(N)cc1 ZINC000020373994 171169521 /nfs/dbraw/zinc/16/95/21/171169521.db2.gz FPYNIEYMTFJILV-UHFFFAOYSA-N 0 0 262.259 2.824 10 10 CFCERN COc1cccc([C@@H]2CC(c3ccccc3)=NN2)c1O ZINC000020390651 171179424 /nfs/dbraw/zinc/17/94/24/171179424.db2.gz IXRJIPXDZPKYHB-AWEZNQCLSA-N 0 0 268.316 2.840 10 10 CFCERN Cc1cccc(OCCC(=O)Nc2ccc(N)cc2)c1 ZINC000022164859 171365317 /nfs/dbraw/zinc/36/53/17/171365317.db2.gz WTAGFCLWJLNFJD-UHFFFAOYSA-N 0 0 270.332 2.985 10 10 CFCERN Nc1ccc(N2C(=O)CC3(CCCC3)C2=O)c(Cl)c1 ZINC000035280213 172098864 /nfs/dbraw/zinc/09/88/64/172098864.db2.gz RVQLOTNYLKLSQH-UHFFFAOYSA-N 0 0 278.739 2.746 10 10 CFCERN Cc1cc(S(=O)(=O)Nc2ccc(N)cc2)c(C)s1 ZINC000036283841 172577134 /nfs/dbraw/zinc/57/71/34/172577134.db2.gz HZJQDZOIAVHLBQ-UHFFFAOYSA-N 0 0 282.390 2.748 10 10 CFCERN COc1ccc(NCc2ccc(O)cc2O)cc1F ZINC000037290444 173095331 /nfs/dbraw/zinc/09/53/31/173095331.db2.gz ILOZRLYQLMKVDF-UHFFFAOYSA-N 0 0 263.268 2.858 10 10 CFCERN CC[N@@H+](Cc1cccc(F)c1[O-])C[C@H]1CCCO1 ZINC000160206645 521348756 /nfs/dbraw/zinc/34/87/56/521348756.db2.gz WKUSIOWAMLJJNY-GFCCVEGCSA-N 0 0 253.317 2.532 10 10 CFCERN CN(C)c1ccc(CNc2ncn(CC(F)(F)F)n2)cc1 ZINC000195167453 522215202 /nfs/dbraw/zinc/21/52/02/522215202.db2.gz IUJMRWXYCZGPFQ-UHFFFAOYSA-N 0 0 299.300 2.519 10 10 CFCERN COc1ccc(O)c([C@@H](C)Nc2cccnc2OC)c1 ZINC000037070641 524767805 /nfs/dbraw/zinc/76/78/05/524767805.db2.gz QMFCAYMPGBARBL-SNVBAGLBSA-N 0 0 274.320 2.978 10 10 CFCERN C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CC(C)(C)O1 ZINC000160215545 525006046 /nfs/dbraw/zinc/00/60/46/525006046.db2.gz ICVHXSTXSQMUAM-SNVBAGLBSA-N 0 0 253.317 2.531 10 10 CFCERN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H]1CCCO1 ZINC000246219312 525609594 /nfs/dbraw/zinc/60/95/94/525609594.db2.gz PYQYBLXEBAPVEZ-IMSIIYSGSA-N 0 0 253.317 2.749 10 10 CFCERN C[C@H](OC1CCCCC1)C(=O)Nc1ccc(N)cc1 ZINC000051456176 525895081 /nfs/dbraw/zinc/89/50/81/525895081.db2.gz ILIWAOFEKSFVAZ-NSHDSACASA-N 0 0 262.353 2.945 10 10 CFCERN Nc1ccc2c(ccn2CCOCC(F)(F)F)c1 ZINC000049311131 527509771 /nfs/dbraw/zinc/50/97/71/527509771.db2.gz LDKIGYDSWMLVJO-UHFFFAOYSA-N 0 0 258.243 2.802 10 10 CFCERN CN(C)C[C@@H]([NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000164936561 622974852 /nfs/dbraw/zinc/97/48/52/622974852.db2.gz ZJGKNAASJMFDFV-MRXNPFEDSA-N 0 0 288.366 2.924 10 10 CFCERN Oc1c(F)cccc1CNc1ccc2c(c1)OCCO2 ZINC000164930569 622975135 /nfs/dbraw/zinc/97/51/35/622975135.db2.gz AKZWFELQTOTQRR-UHFFFAOYSA-N 0 0 275.279 2.915 10 10 CFCERN COc1ccc(O)c(CN[C@@H](C)c2ncc(C)o2)c1 ZINC000227556004 623113502 /nfs/dbraw/zinc/11/35/02/623113502.db2.gz DVPRLSHWYROLHC-JTQLQIEISA-N 0 0 262.309 2.548 10 10 CFCERN Cc1cnc([C@@H](C)NCc2cccc(F)c2O)o1 ZINC000231530677 623355211 /nfs/dbraw/zinc/35/52/11/623355211.db2.gz KMJKGFXVQJDBJF-SECBINFHSA-N 0 0 250.273 2.679 10 10 CFCERN C[C@H](CC(F)(F)F)[NH2+]Cc1cccc(F)c1[O-] ZINC000231901524 623375717 /nfs/dbraw/zinc/37/57/17/623375717.db2.gz SEODSVSSTMAESD-SSDOTTSWSA-N 0 0 251.223 2.962 10 10 CFCERN Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)o1 ZINC000180653467 625032486 /nfs/dbraw/zinc/03/24/86/625032486.db2.gz FHEFSHXKJHZQKT-BWNDKRECSA-N 0 0 287.315 2.890 10 10 CFCERN C[C@H](NC(=O)c1cccc(O)c1O)c1cccs1 ZINC000126256610 643080557 /nfs/dbraw/zinc/08/05/57/643080557.db2.gz WDDRPGWAMLAFII-QMMMGPOBSA-N 0 0 263.318 2.650 10 10 CFCERN CN(C)c1ccc(/C=C\C(=O)N2CCCCC2)cc1 ZINC000095938666 185034761 /nfs/dbraw/zinc/03/47/61/185034761.db2.gz CLWXTTMGBZIVGF-FLIBITNWSA-N 0 0 258.365 2.778 10 10 CFCERN Nc1ccc(CNC(=O)COc2cccc(Cl)c2)cc1 ZINC000001619264 346206369 /nfs/dbraw/zinc/20/63/69/346206369.db2.gz UVRJMIKYVLZWCD-UHFFFAOYSA-N 0 0 290.750 2.617 10 10 CFCERN CC(C)(C)CCC(=O)C(=O)C(=O)OCc1ccccc1 ZINC000082168836 347441854 /nfs/dbraw/zinc/44/18/54/347441854.db2.gz WXBXHBGDTMBSEZ-UHFFFAOYSA-N 0 0 276.332 2.694 10 10 CFCERN [O-]c1c(Br)c(F)ccc1[C@H]1CCC[NH2+]1 ZINC000238709489 348248538 /nfs/dbraw/zinc/24/85/38/348248538.db2.gz YJOZOFDOMHRYFM-MRVPVSSYSA-N 0 0 260.106 2.718 10 10 CFCERN ON[C@@H](c1cc(Br)ccc1O)C(F)(F)F ZINC000308760036 348405634 /nfs/dbraw/zinc/40/56/34/348405634.db2.gz IWKFTFIJLOBSQF-ZETCQYMHSA-N 0 0 286.047 2.737 10 10 CFCERN COc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c2cccnc12 ZINC000584647813 348701332 /nfs/dbraw/zinc/70/13/32/348701332.db2.gz HXKFVVSVGBWHHW-TXEJJXNPSA-N 0 0 272.348 2.857 10 10 CFCERN COc1cccc(C(=O)c2cccc3c2NCC3)c1 ZINC000089210399 179755043 /nfs/dbraw/zinc/75/50/43/179755043.db2.gz GHRBRMCCIFCVOS-UHFFFAOYSA-N 0 0 253.301 2.894 10 10 CFCERN CC(C)(C)OC(=O)NCC[C@@H]1CNc2ccccc2N1 ZINC000616689388 352414798 /nfs/dbraw/zinc/41/47/98/352414798.db2.gz FGVMVQLROUWOSA-LLVKDONJSA-N 0 0 277.368 2.807 10 10 CFCERN Oc1cc2c(cc1O)[C@H]1c3ccccc3CCN1CC2 ZINC000013739905 372046878 /nfs/dbraw/zinc/04/68/78/372046878.db2.gz ORHIGFQDQVYZPJ-QGZVFWFLSA-N 0 0 267.328 2.601 10 10 CFCERN [O-]c1c(Br)cccc1C[NH2+]CC1CC1 ZINC000042411518 372919688 /nfs/dbraw/zinc/91/96/88/372919688.db2.gz WBZQFBYTKCKCQC-UHFFFAOYSA-N 0 0 256.143 2.654 10 10 CFCERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(N(C)C)cc1 ZINC000090225476 375006288 /nfs/dbraw/zinc/00/62/88/375006288.db2.gz JZMXANLFLNSRSG-WBMJQRKESA-N 0 0 299.422 2.838 10 10 CFCERN CCN(C)c1ccc([C@H](C)[NH2+]CCn2cc(C)cn2)cc1 ZINC000124096459 377017425 /nfs/dbraw/zinc/01/74/25/377017425.db2.gz HZGMOJRBYNVOFG-HNNXBMFYSA-N 0 0 286.423 2.998 10 10 CFCERN Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186096412 381822991 /nfs/dbraw/zinc/82/29/91/381822991.db2.gz SRGPXHHMTRUNDK-ZANVPECISA-N 0 0 290.342 2.617 10 10 CFCERN N#[N+][N-]S(=O)(=O)c1cc(Br)cs1 ZINC000306925660 382462375 /nfs/dbraw/zinc/46/23/75/382462375.db2.gz NCMMDSJXALUJIK-UHFFFAOYSA-N 0 0 268.117 2.510 10 10 CFCERN CC[C@@H](NC(=O)c1ccccc1C(=O)N=N)C(=O)C=NN ZINC000575041679 382723870 /nfs/dbraw/zinc/72/38/70/382723870.db2.gz NCDHFEBHXQCVAV-PHKQOCEXSA-N 0 0 289.295 2.797 10 10 CFCERN COC(=O)CN(c1ccccc1)c1ccc(N)cc1 ZINC000200703139 382772674 /nfs/dbraw/zinc/77/26/74/382772674.db2.gz UORGACMZWRFMKQ-UHFFFAOYSA-N 0 0 256.305 2.580 10 10 CFCERN Nc1ccc(N2CCC[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000584649137 383113691 /nfs/dbraw/zinc/11/36/91/383113691.db2.gz WHCMLYICVMMZML-SFHVURJKSA-N 0 0 293.370 2.759 10 10 CFCERN Cc1ccc(N=Nc2c(N)n[nH]c2N)cc1Cl ZINC000254744609 383470452 /nfs/dbraw/zinc/47/04/52/383470452.db2.gz GLBUZRJNJKNLMM-UHFFFAOYSA-N 0 0 250.693 2.951 10 10 CFCERN O=CNc1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000004712897 285030475 /nfs/dbraw/zinc/03/04/75/285030475.db2.gz MXXCLGHDQSELFE-UHFFFAOYSA-N 0 0 285.686 2.684 10 10 CFCERN CC[C@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@@H](C)O1 ZINC000272301749 385504279 /nfs/dbraw/zinc/50/42/79/385504279.db2.gz PWDNYBWNGXHGNG-PWSUYJOCSA-N 0 0 253.317 2.531 10 10 CFCERN CCn1cc(/C=C2/SC(=S)N(C(C)C)C2=O)cn1 ZINC000002798048 393454172 /nfs/dbraw/zinc/45/41/72/393454172.db2.gz QFAALVOZZJJGNF-BJMVGYQFSA-N 0 0 281.406 2.513 10 10 CFCERN C[C@@H]1C(=O)c2c(F)c(F)c(F)c(F)c2C(=O)[C@H]1F ZINC000103560927 287190636 /nfs/dbraw/zinc/19/06/36/287190636.db2.gz BXXPRZHLICKJRD-VHUNDSFISA-N 0 0 264.149 2.596 10 10 CFCERN O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2ccccc21 ZINC000006582976 170215767 /nfs/dbraw/zinc/21/57/67/170215767.db2.gz LHARPARLCDEZDK-HNNXBMFYSA-N 0 0 256.257 2.804 10 10 CFCERN COc1c(O)c(O)cc2c1-c1c(O)cccc1CC2 ZINC000013480404 170555069 /nfs/dbraw/zinc/55/50/69/170555069.db2.gz LOICISWPCCICIA-UHFFFAOYSA-N 0 0 258.273 2.578 10 10 CFCERN CNC(=O)c1cccc(N[C@@H](C)c2ccccc2O)c1 ZINC000020124632 171007151 /nfs/dbraw/zinc/00/71/51/171007151.db2.gz HCRILTYUOVTZEW-NSHDSACASA-N 0 0 270.332 2.925 10 10 CFCERN Cc1ccc(C(=O)N(C)c2ccc(N)cc2)cc1O ZINC000020374071 171169476 /nfs/dbraw/zinc/16/94/76/171169476.db2.gz NTGWCGRLKHUIOD-UHFFFAOYSA-N 0 0 256.305 2.559 10 10 CFCERN COc1cccc(C(=O)N(C)c2ccc(N)cc2)c1 ZINC000020374141 171169560 /nfs/dbraw/zinc/16/95/60/171169560.db2.gz PXIHLYZDQNJCJO-UHFFFAOYSA-N 0 0 256.305 2.554 10 10 CFCERN C[C@@H](Oc1ccc(F)cc1F)C(=O)Nc1ccc(N)cc1 ZINC000022211316 171373492 /nfs/dbraw/zinc/37/34/92/171373492.db2.gz ADCPJGUPYNULOS-SECBINFHSA-N 0 0 292.285 2.953 10 10 CFCERN Nc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1 ZINC000032111510 171704607 /nfs/dbraw/zinc/70/46/07/171704607.db2.gz IKQAEBXLXYKKLX-UHFFFAOYSA-N 0 0 260.724 2.852 10 10 CFCERN Nc1cc2c(cc1N1CCCCCC1)CCC(=O)N2 ZINC000035341128 172133716 /nfs/dbraw/zinc/13/37/16/172133716.db2.gz YIBWMZALMJREDC-UHFFFAOYSA-N 0 0 259.353 2.534 10 10 CFCERN CCCCOCCOC(=O)Nc1ccc(N)cc1 ZINC000035408252 172178767 /nfs/dbraw/zinc/17/87/67/172178767.db2.gz HJJHESUFGPHWOY-UHFFFAOYSA-N 0 0 252.314 2.634 10 10 CFCERN CC(C)CSCC(=O)N(C)c1ccc(N)cc1 ZINC000037285859 173092021 /nfs/dbraw/zinc/09/20/21/173092021.db2.gz YDSHDFCFWKNWNM-UHFFFAOYSA-N 0 0 252.383 2.621 10 10 CFCERN C[C@@H](Oc1ccc(N)cc1)C(=O)c1ccc2c(c1)OCCO2 ZINC000040354239 174245598 /nfs/dbraw/zinc/24/55/98/174245598.db2.gz WYZYYYGQWWRODB-LLVKDONJSA-N 0 0 299.326 2.690 10 10 CFCERN O=C(NC1CC1)c1ccsc1-c1ccc(O)c(O)c1 ZINC000040429283 174259359 /nfs/dbraw/zinc/25/93/59/174259359.db2.gz VJHGYIDBXAYINC-UHFFFAOYSA-N 0 0 275.329 2.719 10 10 CFCERN Cc1noc(CN[C@@H]2C[C@H](C)c3c2c(O)ccc3C)n1 ZINC000038034414 326869033 /nfs/dbraw/zinc/86/90/33/326869033.db2.gz REROKYUAWYFSMW-GXSJLCMTSA-N 0 0 273.336 2.730 10 10 CFCERN Cc1noc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3C)n1 ZINC000038034413 326869134 /nfs/dbraw/zinc/86/91/34/326869134.db2.gz REROKYUAWYFSMW-MWLCHTKSSA-N 0 0 273.336 2.730 10 10 CFCERN O=C1C[C@@H](c2ccc(O)c(O)c2)Nc2ccccc21 ZINC000504823516 330190425 /nfs/dbraw/zinc/19/04/25/330190425.db2.gz JTSZDGDXZORZCB-LBPRGKRZSA-N 0 0 255.273 2.837 10 10 CFCERN CC(C)C(=O)C(=O)c1ccc(Br)s1 ZINC000057547821 519448111 /nfs/dbraw/zinc/44/81/11/519448111.db2.gz MHSULVJNYUSBKC-UHFFFAOYSA-N 0 0 261.140 2.918 10 10 CFCERN CC[C@H](N[C@@H]1CCCn2ncnc21)c1ccc(N(C)C)cc1 ZINC000164722686 522717076 /nfs/dbraw/zinc/71/70/76/522717076.db2.gz DDTCMMUTVGQBOY-JKSUJKDBSA-N 0 0 299.422 2.920 10 10 CFCERN COCCC(C)(C)C[NH2+]Cc1cccc(F)c1[O-] ZINC000230943384 522984521 /nfs/dbraw/zinc/98/45/21/522984521.db2.gz QUHZNBVZDGSERH-UHFFFAOYSA-N 0 0 255.333 2.684 10 10 CFCERN COCC[N@@H+](Cc1cccc(F)c1[O-])CC(C)C ZINC000160206382 523752680 /nfs/dbraw/zinc/75/26/80/523752680.db2.gz DDZBKUBHBYLHOG-UHFFFAOYSA-N 0 0 255.333 2.636 10 10 CFCERN COc1ccc(C[NH2+]Cc2cccc(F)c2[O-])cc1OC ZINC000164934756 524073166 /nfs/dbraw/zinc/07/31/66/524073166.db2.gz VRFUXJMMRDVAMS-UHFFFAOYSA-N 0 0 291.322 2.838 10 10 CFCERN COc1ccccc1CC[NH2+]Cc1cccc(F)c1[O-] ZINC000226582621 524421876 /nfs/dbraw/zinc/42/18/76/524421876.db2.gz ZAYDMTGNPIDIFM-UHFFFAOYSA-N 0 0 275.323 2.872 10 10 CFCERN COC(=O)c1ccc(C=C2SC(=O)NC2=S)cc1 ZINC000056696251 622986544 /nfs/dbraw/zinc/98/65/44/622986544.db2.gz YQEWVSSEEWAWFP-TWGQIWQCSA-N 0 0 279.342 2.598 10 10 CFCERN C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000062747912 623296013 /nfs/dbraw/zinc/29/60/13/623296013.db2.gz KTATZVVCVJICCA-PWSUYJOCSA-N 0 0 253.317 2.751 10 10 CFCERN C[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000152582073 623738762 /nfs/dbraw/zinc/73/87/62/623738762.db2.gz JIWXUBYSASPPKS-AWEZNQCLSA-N 0 0 282.387 2.806 10 10 CFCERN CC[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000126379198 643186398 /nfs/dbraw/zinc/18/63/98/643186398.db2.gz PMPNILZZOKJLBC-CYBMUJFWSA-N 0 0 271.316 2.979 10 10 CFCERN CCn1cc(/C=C2/SC(=S)N(C(C)C)C2=O)c(C)n1 ZINC000096577701 650994493 /nfs/dbraw/zinc/99/44/93/650994493.db2.gz HQWITEMWZJRLKE-IZZDOVSWSA-N 0 0 295.433 2.821 10 10 CFCERN Oc1ccc2ccccc2c1CN1CCn2ccnc2C1 ZINC000096810791 650999340 /nfs/dbraw/zinc/99/93/40/650999340.db2.gz DDJXCZNIANLISZ-UHFFFAOYSA-N 0 0 279.343 2.758 10 10 CFCERN Cc1cnc([C@H](C)NCc2ccc3c(c2)CCO3)o1 ZINC000220933190 647166001 /nfs/dbraw/zinc/16/60/01/647166001.db2.gz DNOHUYGSCNNNAI-NSHDSACASA-N 0 0 258.321 2.769 10 10 CFCERN COc1cc(O)c(O)c(Cl)c1Br ZINC000095564336 185010318 /nfs/dbraw/zinc/01/03/18/185010318.db2.gz RWYOWZGBPWRWNX-UHFFFAOYSA-N 0 0 253.479 2.522 10 10 CFCERN CN(C)c1cccc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000082698865 178200119 /nfs/dbraw/zinc/20/01/19/178200119.db2.gz FKZYMQJLJPVCDE-UHFFFAOYSA-N 0 0 269.348 2.516 10 10 CFCERN C[C@H]([NH3+])c1cc(Br)cc(Br)c1[O-] ZINC000024863129 346257331 /nfs/dbraw/zinc/25/73/31/346257331.db2.gz YDGBUKKPUBCAEQ-BYPYZUCNSA-N 0 0 294.974 2.937 10 10 CFCERN Nc1ccc(NCCc2ccc3c(c2)OCCO3)cc1 ZINC000034939579 346318879 /nfs/dbraw/zinc/31/88/79/346318879.db2.gz ZUKXMFQJQJEPPX-UHFFFAOYSA-N 0 0 270.332 2.695 10 10 CFCERN O=C(NCCc1ccc(O)c(O)c1)OCc1ccccc1 ZINC000038258488 346337836 /nfs/dbraw/zinc/33/78/36/346337836.db2.gz XEVWDUMEFJXJOU-UHFFFAOYSA-N 0 0 287.315 2.567 10 10 CFCERN CCCCCCC(=O)N(c1ccc(N)cc1)S(C)(=O)=O ZINC000206612383 348156227 /nfs/dbraw/zinc/15/62/27/348156227.db2.gz HXQOUJSQIKXDHI-UHFFFAOYSA-N 0 0 298.408 2.532 10 10 CFCERN CCCCc1ccc(N=Nc2c(N)nc(N)nc2N)cc1 ZINC000584623275 348693457 /nfs/dbraw/zinc/69/34/57/348693457.db2.gz OBYBBVDSEHUBES-QZQOTICOSA-N 0 0 285.355 2.642 10 10 CFCERN O=C1C(=O)c2ccc([N+](=O)[O-])cc2-c2ccccc21 ZINC000013862820 372051201 /nfs/dbraw/zinc/05/12/01/372051201.db2.gz QWWAROCDPKNURB-UHFFFAOYSA-N 0 0 253.213 2.641 10 10 CFCERN Cc1ccccc1N1CCN(c2ccc(N)cc2)CC1 ZINC000016124006 372099467 /nfs/dbraw/zinc/09/94/67/372099467.db2.gz QMRXGABSCRIFIU-UHFFFAOYSA-N 0 0 267.376 2.904 10 10 CFCERN Nc1ccc(Cc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000042013521 372869798 /nfs/dbraw/zinc/86/97/98/372869798.db2.gz SKQPZRWESYSUHI-UHFFFAOYSA-N 0 0 250.305 2.645 10 10 CFCERN CC1CC[NH+](CCC[NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000164939033 379028215 /nfs/dbraw/zinc/02/82/15/379028215.db2.gz WPXWLGNUHWBWCH-UHFFFAOYSA-N 0 0 280.387 2.743 10 10 CFCERN CC(=O)c1cc(Cl)cc(CN2[C@H](C)COC[C@@H]2C)c1O ZINC000177288423 380325659 /nfs/dbraw/zinc/32/56/59/380325659.db2.gz FUQUCZYQANKGLB-AOOOYVTPSA-N 0 0 297.782 2.857 10 10 CFCERN Cc1cccnc1CC[NH2+]Cc1cccc(F)c1[O-] ZINC000294917244 382543587 /nfs/dbraw/zinc/54/35/87/382543587.db2.gz FHVBGMCCHTZVGW-UHFFFAOYSA-N 0 0 260.312 2.567 10 10 CFCERN CC[C@H](NC(=O)c1ccccc1C(=O)N=N)C(=O)C=NN ZINC000575041681 382724008 /nfs/dbraw/zinc/72/40/08/382724008.db2.gz NCDHFEBHXQCVAV-XNVPFLIASA-N 0 0 289.295 2.797 10 10 CFCERN Oc1cc(OC(F)(F)F)cc(Br)c1O ZINC000575686266 382787684 /nfs/dbraw/zinc/78/76/84/382787684.db2.gz KRPHTJRYGOHMKE-UHFFFAOYSA-N 0 0 273.004 2.759 10 10 CFCERN CN(C)c1ccc([C@H]2NCc3ccccc3N2)cc1 ZINC000196209024 397612407 /nfs/dbraw/zinc/61/24/07/397612407.db2.gz WMYJJZUGHSSORE-INIZCTEOSA-N 0 0 253.349 2.967 10 10 CFCERN CCN(CC)c1ccc(NN=c2n(C)cnn2C)cc1 ZINC000005139429 170069925 /nfs/dbraw/zinc/06/99/25/170069925.db2.gz QNLALUUFWRGCOR-VUAZUDAXSA-N 0 0 274.372 2.721 10 10 CFCERN NN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S ZINC000006219793 170183245 /nfs/dbraw/zinc/18/32/45/170183245.db2.gz WCTCPIQOAOGAKZ-YWEYNIOJSA-N 0 0 288.756 2.554 10 10 CFCERN COc1ccc(OC)c(NCc2ccc(O)cc2O)c1 ZINC000019910463 170921690 /nfs/dbraw/zinc/92/16/90/170921690.db2.gz OWNKOHUKQIOXPS-UHFFFAOYSA-N 0 0 275.304 2.727 10 10 CFCERN COc1ccccc1C(=O)N(C)c1ccc(N)cc1 ZINC000020374184 171169338 /nfs/dbraw/zinc/16/93/38/171169338.db2.gz VDJUVNKGKZCAIP-UHFFFAOYSA-N 0 0 256.305 2.554 10 10 CFCERN COc1ccc(C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000020374170 171169823 /nfs/dbraw/zinc/16/98/23/171169823.db2.gz FPBLLCSSJZPMNB-UHFFFAOYSA-N 0 0 256.305 2.554 10 10 CFCERN Oc1ccccc1[C@H]1CC(c2ccc(F)cc2)=NN1 ZINC000020390143 171178889 /nfs/dbraw/zinc/17/88/89/171178889.db2.gz IDGMXKDATHDEBA-CQSZACIVSA-N 0 0 256.280 2.970 10 10 CFCERN COc1cccc([C@H]2CC(c3ccccc3)=NN2)c1O ZINC000020390655 171179513 /nfs/dbraw/zinc/17/95/13/171179513.db2.gz IXRJIPXDZPKYHB-CQSZACIVSA-N 0 0 268.316 2.840 10 10 CFCERN CN(CCC(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000022156388 171362613 /nfs/dbraw/zinc/36/26/13/171362613.db2.gz IZVUVYAIAMPKNW-UHFFFAOYSA-N 0 0 269.348 2.734 10 10 CFCERN Nc1ccc(NC(=O)NCCc2ccc(F)cc2)cc1 ZINC000035407636 172178439 /nfs/dbraw/zinc/17/84/39/172178439.db2.gz STYWKJWNVWTEKT-UHFFFAOYSA-N 0 0 273.311 2.772 10 10 CFCERN CC[C@H](C)SCC(=O)N(C)c1ccc(N)cc1 ZINC000037285773 173092047 /nfs/dbraw/zinc/09/20/47/173092047.db2.gz TUZJDGMKMCMVQP-JTQLQIEISA-N 0 0 252.383 2.763 10 10 CFCERN C[C@H](c1ccccc1O)N(C)C(=O)NC(C)(C)C ZINC000038089807 174103190 /nfs/dbraw/zinc/10/31/90/174103190.db2.gz QBWPFRLXSGNRJJ-SNVBAGLBSA-N 0 0 250.342 2.893 10 10 CFCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1CC(O)C1 ZINC000091524479 334379708 /nfs/dbraw/zinc/37/97/08/334379708.db2.gz ZHPDVNMUVJEIGI-UHFFFAOYSA-N 0 0 276.163 2.560 10 10 CFCERN CC(C)(C)[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CCO1 ZINC000280382876 518981177 /nfs/dbraw/zinc/98/11/77/518981177.db2.gz FPGBPTAYPYYBLB-CYBMUJFWSA-N 0 0 267.344 2.778 10 10 CFCERN COCCn1cc(N[C@@H](C)c2cc(C)ccc2O)cn1 ZINC000037090709 522110480 /nfs/dbraw/zinc/11/04/80/522110480.db2.gz VHQVOWMBFSOWFZ-LBPRGKRZSA-N 0 0 275.352 2.717 10 10 CFCERN COCCn1cc(N[C@H](C)c2cc(C)ccc2O)cn1 ZINC000037090708 522110975 /nfs/dbraw/zinc/11/09/75/522110975.db2.gz VHQVOWMBFSOWFZ-GFCCVEGCSA-N 0 0 275.352 2.717 10 10 CFCERN COc1ccc(CC[NH2+]Cc2cccc(F)c2[O-])cc1 ZINC000164926685 523975607 /nfs/dbraw/zinc/97/56/07/523975607.db2.gz YECCVTRYDKGLGA-UHFFFAOYSA-N 0 0 275.323 2.872 10 10 CFCERN C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc(F)c1[O-] ZINC000227688384 524695307 /nfs/dbraw/zinc/69/53/07/524695307.db2.gz YAUNCDIQNRYFQD-JTQLQIEISA-N 0 0 298.358 2.534 10 10 CFCERN C[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000062745441 525654399 /nfs/dbraw/zinc/65/43/99/525654399.db2.gz PYQYBLXEBAPVEZ-RULNRJAQSA-N 0 0 253.317 2.749 10 10 CFCERN CCC(C)(C)OCC[NH2+]Cc1cccc(F)c1[O-] ZINC000308539081 617692927 /nfs/dbraw/zinc/69/29/27/617692927.db2.gz HYVAUAXKWIBTBX-UHFFFAOYSA-N 0 0 255.333 2.826 10 10 CFCERN C[C@H]1[C@H]([NH3+])CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000310138619 619082032 /nfs/dbraw/zinc/08/20/32/619082032.db2.gz BSILSYBKRSSFHH-WRWORJQWSA-N 0 0 275.179 2.621 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]CC1(CO)CCCCC1 ZINC000164074306 622934945 /nfs/dbraw/zinc/93/49/45/622934945.db2.gz GBXALKLUHIVTTR-UHFFFAOYSA-N 0 0 267.344 2.564 10 10 CFCERN O=C(N[C@@H]1CCCc2ccccc21)c1cccc(O)c1O ZINC000114427446 635833352 /nfs/dbraw/zinc/83/33/52/635833352.db2.gz KGAOBKXKPGFHBN-CQSZACIVSA-N 0 0 283.327 2.905 10 10 CFCERN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(O)c(O)c1 ZINC000096193310 650986849 /nfs/dbraw/zinc/98/68/49/650986849.db2.gz RPZOWXOHVXNZRB-ZROIWOOFSA-N 0 0 294.310 2.904 10 10 CFCERN COc1ccc(CNc2ccc(CO)cc2)c(O)c1 ZINC000083431913 178443058 /nfs/dbraw/zinc/44/30/58/178443058.db2.gz CPJWOONLZXDEAO-UHFFFAOYSA-N 0 0 259.305 2.505 10 10 CFCERN OCCc1cccc([C@@H]2CNc3ccccc3N2)c1 ZINC000616586047 352375411 /nfs/dbraw/zinc/37/54/11/352375411.db2.gz ZPENGGXLNFMETG-INIZCTEOSA-N 0 0 254.333 2.800 10 10 CFCERN COc1c(=O)c2ccccc2oc1-c1ccc(O)c(O)c1 ZINC000014807377 372074359 /nfs/dbraw/zinc/07/43/59/372074359.db2.gz XPYKQSORRZRFLQ-UHFFFAOYSA-N 0 0 284.267 2.880 10 10 CFCERN COc1ccc(O)c(CN(C)[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000180491939 380668144 /nfs/dbraw/zinc/66/81/44/380668144.db2.gz MBUKXBUNFAHEOA-LLVKDONJSA-N 0 0 295.379 2.563 10 10 CFCERN Oc1ccccc1C1=NN[C@H](c2ccc3c(c2)OCCO3)C1 ZINC000001504629 169710319 /nfs/dbraw/zinc/71/03/19/169710319.db2.gz JWUCYCKGRWIJSK-ZDUSSCGKSA-N 0 0 296.326 2.602 10 10 CFCERN Oc1ccc([C@H]2COc3cc(O)c(O)cc3C2)cc1 ZINC000006093227 170175617 /nfs/dbraw/zinc/17/56/17/170175617.db2.gz NLIIKGCVOJPMQB-LLVKDONJSA-N 0 0 258.273 2.522 10 10 CFCERN Oc1ccc([C@@H]2COc3cc(O)c(O)cc3C2)cc1 ZINC000006093295 170175691 /nfs/dbraw/zinc/17/56/91/170175691.db2.gz NLIIKGCVOJPMQB-NSHDSACASA-N 0 0 258.273 2.522 10 10 CFCERN COc1ccc(O)c([C@@H]2CC(c3ccc(F)cc3)=NN2)c1 ZINC000020390620 171179572 /nfs/dbraw/zinc/17/95/72/171179572.db2.gz DIDKOJPTBIMQGX-HNNXBMFYSA-N 0 0 286.306 2.979 10 10 CFCERN COc1ccc(O)c([C@@H]2CC(c3ccc(C)o3)=NN2)c1 ZINC000020390644 171179683 /nfs/dbraw/zinc/17/96/83/171179683.db2.gz MQWPGVUNYQHXQJ-LBPRGKRZSA-N 0 0 272.304 2.741 10 10 CFCERN CC(C)CCCOCC(=O)Nc1ccc(N)cc1 ZINC000020507683 171229330 /nfs/dbraw/zinc/22/93/30/171229330.db2.gz HTNJOAFZQFNPEH-UHFFFAOYSA-N 0 0 250.342 2.660 10 10 CFCERN CN(C)c1ccc(/C=C/c2cc(N)c([N+](=O)[O-])cc2N)cc1 ZINC000022010091 171349023 /nfs/dbraw/zinc/34/90/23/171349023.db2.gz HEHZQHZNCCXOGJ-ZZXKWVIFSA-N 0 0 298.346 2.996 10 10 CFCERN CC(C)CS[C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000034958004 171903694 /nfs/dbraw/zinc/90/36/94/171903694.db2.gz TXLFDCVWBOKYHC-SNVBAGLBSA-N 0 0 252.383 2.985 10 10 CFCERN Nc1n[nH]cc1-c1nc2cccc(Cl)c2s1 ZINC000035279322 172098339 /nfs/dbraw/zinc/09/83/39/172098339.db2.gz NNNIPEDREWBKSF-UHFFFAOYSA-N 0 0 250.714 2.922 10 10 CFCERN Cc1cccc(C(=O)N(C)Cc2ccc(N)cc2)c1 ZINC000035360184 172150924 /nfs/dbraw/zinc/15/09/24/172150924.db2.gz AHYPWWJDYMUFSK-UHFFFAOYSA-N 0 0 254.333 2.849 10 10 CFCERN CC(C)[C@@H](C)N(C)c1cc2c(cc1N)OCCO2 ZINC000036787087 172705660 /nfs/dbraw/zinc/70/56/60/172705660.db2.gz NEKURCOLALWEKE-SNVBAGLBSA-N 0 0 250.342 2.521 10 10 CFCERN CCCCNC(=O)N(C)[C@@H](C)c1ccccc1O ZINC000038089808 174103138 /nfs/dbraw/zinc/10/31/38/174103138.db2.gz FYJIQSBDLWVFRB-NSHDSACASA-N 0 0 250.342 2.895 10 10 CFCERN O=C1Nc2ccccc2/C1=C\c1ccc(O)c(O)c1 ZINC000071329261 176123976 /nfs/dbraw/zinc/12/39/76/176123976.db2.gz DNURULFOWWXEHM-YRNVUSSQSA-N 0 0 253.257 2.591 10 10 CFCERN CCOc1ccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1 ZINC000041078301 276494487 /nfs/dbraw/zinc/49/44/87/276494487.db2.gz FWRTUJVDWXYIPH-YEIVOSTPSA-N 0 0 297.314 2.536 10 10 CFCERN CC(C)(C)c1nsc(NCCc2ccc(O)c(O)c2)n1 ZINC000159837258 519142060 /nfs/dbraw/zinc/14/20/60/519142060.db2.gz YTRQJNKZBXVOJE-UHFFFAOYSA-N 0 0 293.392 2.901 10 10 CFCERN CCC[C@@]1([NH2+]Cc2cccc(F)c2[O-])CCOC1 ZINC000289845971 520964960 /nfs/dbraw/zinc/96/49/60/520964960.db2.gz UUGDTDJWTAXMKC-CQSZACIVSA-N 0 0 253.317 2.580 10 10 CFCERN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000062745438 525523999 /nfs/dbraw/zinc/52/39/99/525523999.db2.gz PYQYBLXEBAPVEZ-BHDSKKPTSA-N 0 0 253.317 2.749 10 10 CFCERN [O-]c1c(Cl)cccc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245651408 526326203 /nfs/dbraw/zinc/32/62/03/526326203.db2.gz HNTOAGXODLBEIA-ZDUSSCGKSA-N 0 0 280.799 2.716 10 10 CFCERN Nc1ccc(Cc2nnc(-c3cccs3)[nH]2)cc1 ZINC000054700200 527483257 /nfs/dbraw/zinc/48/32/57/527483257.db2.gz NFCFLSSFWMIMTD-UHFFFAOYSA-N 0 0 256.334 2.706 10 10 CFCERN CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000062747961 619161211 /nfs/dbraw/zinc/16/12/11/619161211.db2.gz GMMYFTZUSHMYHC-AAEUAGOBSA-N 0 0 266.360 2.666 10 10 CFCERN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(O)cc1O ZINC000221968072 622935486 /nfs/dbraw/zinc/93/54/86/622935486.db2.gz VLADJACLYYKGII-OQLLNIDSSA-N 0 0 294.310 2.904 10 10 CFCERN CNC(=O)c1ccc(C)c(NCc2cccc(F)c2O)c1 ZINC000164991339 622977556 /nfs/dbraw/zinc/97/75/56/622977556.db2.gz AIBHIUYWDQVTKS-UHFFFAOYSA-N 0 0 288.322 2.811 10 10 CFCERN CCOC(=O)C1CCC([NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000165029717 622978548 /nfs/dbraw/zinc/97/85/48/622978548.db2.gz YZDZTTQRRGJELY-UHFFFAOYSA-N 0 0 295.354 2.743 10 10 CFCERN COC(=O)[C@H](NCc1cccc(C)c1O)c1ccccc1 ZINC000154656913 624423409 /nfs/dbraw/zinc/42/34/09/624423409.db2.gz KDAGYXRJLVUFAU-OAHLLOKOSA-N 0 0 285.343 2.705 10 10 CFCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)C(C)C)c1 ZINC000103507647 626547551 /nfs/dbraw/zinc/54/75/51/626547551.db2.gz LCEUJBNKSJXMRV-QWRGUYRKSA-N 0 0 280.368 2.806 10 10 CFCERN CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000246182490 650857585 /nfs/dbraw/zinc/85/75/85/650857585.db2.gz GMMYFTZUSHMYHC-DGCLKSJQSA-N 0 0 266.360 2.666 10 10 CFCERN Oc1ccc(CNc2cnccc2Cl)c(O)c1 ZINC000083383868 178387111 /nfs/dbraw/zinc/38/71/11/178387111.db2.gz DUUMKBDOTUWRDQ-UHFFFAOYSA-N 0 0 250.685 2.758 10 10 CFCERN Nc1ccc(NC(=O)CSCc2ccco2)cc1 ZINC000034957852 346319885 /nfs/dbraw/zinc/31/98/85/346319885.db2.gz DQVCGOYSSHANEZ-UHFFFAOYSA-N 0 0 262.334 2.734 10 10 CFCERN [O-]c1c(F)c(Br)ccc1[C@@H]1CCC[NH2+]1 ZINC000238721468 348248560 /nfs/dbraw/zinc/24/85/60/348248560.db2.gz SJFBKICXYFIVMC-QMMMGPOBSA-N 0 0 260.106 2.718 10 10 CFCERN COc1cccc(-c2n[nH]c(Cc3ccc(N)cc3)n2)c1 ZINC000072236624 374236320 /nfs/dbraw/zinc/23/63/20/374236320.db2.gz JTEQYPMHIQHTIL-UHFFFAOYSA-N 0 0 280.331 2.653 10 10 CFCERN COC(=O)c1ccc(NCc2ccc(N)cc2)cc1 ZINC000083415490 374742652 /nfs/dbraw/zinc/74/26/52/374742652.db2.gz CPKVNWQPPLENLF-UHFFFAOYSA-N 0 0 256.305 2.668 10 10 CFCERN CCCCOCCC[NH2+]Cc1cccc(F)c1[O-] ZINC000083410770 374742937 /nfs/dbraw/zinc/74/29/37/374742937.db2.gz KQBCMGWYRUAGFE-UHFFFAOYSA-N 0 0 255.333 2.828 10 10 CFCERN O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@H]1C1CCCCC1 ZINC000182550304 381110834 /nfs/dbraw/zinc/11/08/34/381110834.db2.gz MCCKGEFFQBKGHH-KBPBESRZSA-N 0 0 289.375 2.930 10 10 CFCERN Cn1c(COc2ccc(N3CCCC3)cc2)nnc1C1CC1 ZINC000183262921 381246717 /nfs/dbraw/zinc/24/67/17/381246717.db2.gz RJGYRZCLLZJWKT-UHFFFAOYSA-N 0 0 298.390 2.872 10 10 CFCERN CCC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)C(=O)[O-] ZINC000185047646 381522873 /nfs/dbraw/zinc/52/28/73/381522873.db2.gz OCECFLKDGFFJEB-GFCCVEGCSA-N 0 0 299.754 2.591 10 10 CFCERN [NH3+][C@@H](CF)c1c([O-])c(Br)ccc1Cl ZINC000306696678 382460638 /nfs/dbraw/zinc/46/06/38/382460638.db2.gz XTTGGBZOEPHXPF-LURJTMIESA-N 0 0 268.513 2.777 10 10 CFCERN [NH3+][C@@H](CF)c1ccc(Cl)c(Br)c1[O-] ZINC000306951504 382462322 /nfs/dbraw/zinc/46/23/22/382462322.db2.gz DMBOVNYDEGHAIG-LURJTMIESA-N 0 0 268.513 2.777 10 10 CFCERN COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000189990512 382648892 /nfs/dbraw/zinc/64/88/92/382648892.db2.gz PJZXYHXVYDXNHH-INIZCTEOSA-N 0 0 277.364 2.537 10 10 CFCERN CC[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@@H](C)O1 ZINC000272301751 385504553 /nfs/dbraw/zinc/50/45/53/385504553.db2.gz PWDNYBWNGXHGNG-ZYHUDNBSSA-N 0 0 253.317 2.531 10 10 CFCERN Cc1ccc(C(=O)N[C@H]2CCOc3ccccc32)c(O)c1O ZINC000177662041 394384297 /nfs/dbraw/zinc/38/42/97/394384297.db2.gz ZSBRRNUIQAFFKD-ZDUSSCGKSA-N 0 0 299.326 2.660 10 10 CFCERN Nc1ccc(NC(=O)CCOCc2ccccc2)cc1 ZINC000022213020 171374217 /nfs/dbraw/zinc/37/42/17/171374217.db2.gz PUJBEAZIIWOJIA-UHFFFAOYSA-N 0 0 270.332 2.814 10 10 CFCERN C[C@@H](C(=O)Nc1ccc(N)cc1)n1cnc2ccccc21 ZINC000022220575 171377580 /nfs/dbraw/zinc/37/75/80/171377580.db2.gz VUVLHAQDZMHYJU-NSHDSACASA-N 0 0 280.331 2.818 10 10 CFCERN CC[C@@H](N[C@H](C(=O)OC)C(C)C)c1ccccc1O ZINC000035346431 172138556 /nfs/dbraw/zinc/13/85/56/172138556.db2.gz CEKXCDPBQOUIFD-OCCSQVGLSA-N 0 0 265.353 2.631 10 10 CFCERN CC[C@@H](C)SCC(=O)N(C)c1ccc(N)cc1 ZINC000037285772 173091556 /nfs/dbraw/zinc/09/15/56/173091556.db2.gz TUZJDGMKMCMVQP-SNVBAGLBSA-N 0 0 252.383 2.763 10 10 CFCERN Nc1ccc(Oc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000038056427 174067552 /nfs/dbraw/zinc/06/75/52/174067552.db2.gz KZUSJCUQFXNMRS-UHFFFAOYSA-N 0 0 276.277 2.679 10 10 CFCERN Nc1ccc(CNC(=O)Nc2cccc(F)c2)cc1 ZINC000038076234 174087189 /nfs/dbraw/zinc/08/71/89/174087189.db2.gz NXHXWVQHULICKV-UHFFFAOYSA-N 0 0 259.284 2.730 10 10 CFCERN C[C@H](c1ccccc1O)N(C)C(=O)c1cccnc1 ZINC000038089423 174102723 /nfs/dbraw/zinc/10/27/23/174102723.db2.gz OUWLGDZVEBQLOD-LLVKDONJSA-N 0 0 256.305 2.620 10 10 CFCERN Cc1noc(CNCc2ccc(N3CCCCC3)cc2)n1 ZINC000038034357 326869139 /nfs/dbraw/zinc/86/91/39/326869139.db2.gz LMSYDWONAWUWDH-UHFFFAOYSA-N 0 0 286.379 2.658 10 10 CFCERN CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062748212 519814779 /nfs/dbraw/zinc/81/47/79/519814779.db2.gz PXGLGWSOYYUGEA-FZMZJTMJSA-N 0 0 268.376 2.768 10 10 CFCERN COCCOc1ccc(NCc2cccc(F)c2O)cn1 ZINC000164964104 524050086 /nfs/dbraw/zinc/05/00/86/524050086.db2.gz CCTYUAPWPMXMMU-UHFFFAOYSA-N 0 0 292.310 2.564 10 10 CFCERN C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccsc1 ZINC000061330547 525136031 /nfs/dbraw/zinc/13/60/31/525136031.db2.gz KVQKEXLOXJFMIL-SNVBAGLBSA-N 0 0 260.362 2.750 10 10 CFCERN C[C@H](N[C@@H]1CCCn2ncnc21)c1ccc(N(C)C)cc1 ZINC000164682874 525564343 /nfs/dbraw/zinc/56/43/43/525564343.db2.gz WTBHCKAOTHRHJY-SWLSCSKDSA-N 0 0 285.395 2.530 10 10 CFCERN [NH3+][C@@H](c1cc(Br)cc(F)c1[O-])C1CC1 ZINC000095716538 618288003 /nfs/dbraw/zinc/28/80/03/618288003.db2.gz LARDRDCTBCNLLI-SECBINFHSA-N 0 0 260.106 2.704 10 10 CFCERN CC(C)Oc1ccc(N(C)Cc2nnnn2C(C)C)cc1 ZINC000191583303 618409951 /nfs/dbraw/zinc/40/99/51/618409951.db2.gz ULYDSDIHJVMPPM-UHFFFAOYSA-N 0 0 289.383 2.678 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]CCc1cccs1 ZINC000158670785 618414182 /nfs/dbraw/zinc/41/41/82/618414182.db2.gz MOPGGPUYJAGCGR-UHFFFAOYSA-N 0 0 251.326 2.925 10 10 CFCERN CNC(=O)c1cccc(NCc2cccc(F)c2O)c1C ZINC000164999997 622978388 /nfs/dbraw/zinc/97/83/88/622978388.db2.gz SIIDQQIDRMAFIB-UHFFFAOYSA-N 0 0 288.322 2.811 10 10 CFCERN O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(F)c2[O-])cc1 ZINC000165033677 622979418 /nfs/dbraw/zinc/97/94/18/622979418.db2.gz ICYLFRCSMGLAAY-UHFFFAOYSA-N 0 0 290.294 2.772 10 10 CFCERN Cc1cnc([C@@H](C)NCc2cc(F)ccc2O)o1 ZINC000231527764 623355092 /nfs/dbraw/zinc/35/50/92/623355092.db2.gz UCEGFFNLFXUEHO-SECBINFHSA-N 0 0 250.273 2.679 10 10 CFCERN COC(=O)[C@@H](NCc1cccc(C)c1O)c1ccccc1 ZINC000154656804 624423490 /nfs/dbraw/zinc/42/34/90/624423490.db2.gz KDAGYXRJLVUFAU-HNNXBMFYSA-N 0 0 285.343 2.705 10 10 CFCERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)C(C)C)c1 ZINC000103507652 626547497 /nfs/dbraw/zinc/54/74/97/626547497.db2.gz LCEUJBNKSJXMRV-WDEREUQCSA-N 0 0 280.368 2.806 10 10 CFCERN CC(C)[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000043069280 650003201 /nfs/dbraw/zinc/00/32/01/650003201.db2.gz OHOPCADGYFQNMQ-LLVKDONJSA-N 0 0 250.342 2.578 10 10 CFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@H]2C)cc1F ZINC000109033517 633784258 /nfs/dbraw/zinc/78/42/58/633784258.db2.gz SHHXCNGTAWRCNI-RISCZKNCSA-N 0 0 293.386 2.880 10 10 CFCERN CC1CCC(O)(C[NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000158790692 650237134 /nfs/dbraw/zinc/23/71/34/650237134.db2.gz SUEOMSCZRSWJHA-UHFFFAOYSA-N 0 0 267.344 2.562 10 10 CFCERN C[C@H]([NH3+])c1cc(Cl)cc(Br)c1[O-] ZINC000024863219 346257656 /nfs/dbraw/zinc/25/76/56/346257656.db2.gz GEVWPFPWSITIJQ-BYPYZUCNSA-N 0 0 250.523 2.828 10 10 CFCERN CC(C)c1nnc2sc(CCc3ccc(N)cc3)nn21 ZINC000098145091 185693573 /nfs/dbraw/zinc/69/35/73/185693573.db2.gz SOTAIZREHAFHQW-UHFFFAOYSA-N 0 0 287.392 2.677 10 10 CFCERN [NH3+][C@H](CF)c1c([O-])c(Br)ccc1Cl ZINC000306744033 348391674 /nfs/dbraw/zinc/39/16/74/348391674.db2.gz XTTGGBZOEPHXPF-ZCFIWIBFSA-N 0 0 268.513 2.777 10 10 CFCERN Nc1ccc(N2CCC(c3[nH]nc4ncccc43)CC2)cc1 ZINC000584592963 348682099 /nfs/dbraw/zinc/68/20/99/348682099.db2.gz QUCRYBPSIJAQAF-UHFFFAOYSA-N 0 0 293.374 2.924 10 10 CFCERN COc1ccc(-c2nnc(COc3ccc(N)cc3)o2)cc1 ZINC000032917157 372476340 /nfs/dbraw/zinc/47/63/40/372476340.db2.gz QWTUFCIJIBUTGW-UHFFFAOYSA-N 0 0 297.314 2.906 10 10 CFCERN CCOC(=O)CCCCCOc1ccc(N)cc1 ZINC000071292372 374217610 /nfs/dbraw/zinc/21/76/10/374217610.db2.gz NEFJCFVGAHHOOH-UHFFFAOYSA-N 0 0 251.326 2.771 10 10 CFCERN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc(F)ccc1O ZINC000186097391 381822864 /nfs/dbraw/zinc/82/28/64/381822864.db2.gz XXJMAJVYLOFAOH-NOZJJQNGSA-N 0 0 290.342 2.617 10 10 CFCERN CC[C@@H](C)[C@H](C[NH2+]Cc1cccc(F)c1[O-])OC ZINC000294216212 382463131 /nfs/dbraw/zinc/46/31/31/382463131.db2.gz MYLDECXNGUTXRC-MFKMUULPSA-N 0 0 255.333 2.682 10 10 CFCERN [NH3+]Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1[O-] ZINC000575380401 382762672 /nfs/dbraw/zinc/76/26/72/382762672.db2.gz DALVXXSEFACDKC-UHFFFAOYSA-N 0 0 259.149 2.889 10 10 CFCERN CN(C)c1ccc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575397132 382769506 /nfs/dbraw/zinc/76/95/06/382769506.db2.gz VVFPJKLKCNNTKY-UHFFFAOYSA-N 0 0 250.176 2.559 10 10 CFCERN CCCOc1ccc(N=Nc2c(N)n[nH]c2N)cc1 ZINC000254583628 383468942 /nfs/dbraw/zinc/46/89/42/383468942.db2.gz QEMAZQFCWJHLJP-UHFFFAOYSA-N 0 0 260.301 2.778 10 10 CFCERN CC[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CCCO1 ZINC000281262970 385190257 /nfs/dbraw/zinc/19/02/57/385190257.db2.gz NEZYSONJZIALIN-GFCCVEGCSA-N 0 0 253.317 2.532 10 10 CFCERN COc1cc(C)c(OC)c2c1C(=O)c1ccccc1C2=O ZINC000005361724 170089606 /nfs/dbraw/zinc/08/96/06/170089606.db2.gz FRGLGODYTDELQB-UHFFFAOYSA-N 0 0 282.295 2.788 10 10 CFCERN COc1ccc(C2=NN[C@@H](c3ccccc3OC)C2)c(O)c1 ZINC000008472984 170336927 /nfs/dbraw/zinc/33/69/27/170336927.db2.gz XCGOEVMZLLBWID-OAHLLOKOSA-N 0 0 298.342 2.848 10 10 CFCERN Oc1ccc(CNc2cc(F)ccc2F)cc1O ZINC000019907787 170920002 /nfs/dbraw/zinc/92/00/02/170920002.db2.gz LHGCAJLIEXMSPO-UHFFFAOYSA-N 0 0 251.232 2.988 10 10 CFCERN Cc1nn(C)c(C)c1N[C@@H](C)c1ccc(O)cc1O ZINC000020135011 171022878 /nfs/dbraw/zinc/02/28/78/171022878.db2.gz ZGHLJQWMYWEXHD-QMMMGPOBSA-N 0 0 261.325 2.621 10 10 CFCERN COc1cccc([C@@H]2CC(c3ccc(F)cc3)=NN2)c1O ZINC000020390666 171179286 /nfs/dbraw/zinc/17/92/86/171179286.db2.gz GVXIPFQCVMIMJB-AWEZNQCLSA-N 0 0 286.306 2.979 10 10 CFCERN C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(N)cc1 ZINC000022217211 171375921 /nfs/dbraw/zinc/37/59/21/171375921.db2.gz DKHUQKAXOIGUDX-JTQLQIEISA-N 0 0 274.295 2.814 10 10 CFCERN CC(C)n1nccc1NC(=O)Nc1ccc(N)cc1 ZINC000035407672 172178437 /nfs/dbraw/zinc/17/84/37/172178437.db2.gz SHHKRAMUZZLWIE-UHFFFAOYSA-N 0 0 259.313 2.690 10 10 CFCERN Nc1ccc(CCS(=O)(=O)c2ccccc2Cl)cc1 ZINC000035677488 172348020 /nfs/dbraw/zinc/34/80/20/172348020.db2.gz VECYVYFEMNPMJN-UHFFFAOYSA-N 0 0 295.791 2.939 10 10 CFCERN CN(C)c1cccc(C(=O)Nc2ccc(N)cc2)c1 ZINC000037328213 173128471 /nfs/dbraw/zinc/12/84/71/173128471.db2.gz ZJXUFSXHCYNOFI-UHFFFAOYSA-N 0 0 255.321 2.587 10 10 CFCERN COc1ccc(OC)c(COc2ccc(N)cc2)c1 ZINC000038055521 174067088 /nfs/dbraw/zinc/06/70/88/174067088.db2.gz XFHDZYXBPCGUOX-UHFFFAOYSA-N 0 0 259.305 2.865 10 10 CFCERN CN(C)c1cccc(OCCc2ccc(N)cc2)c1 ZINC000040714161 174381989 /nfs/dbraw/zinc/38/19/89/174381989.db2.gz AZTRNOYKMAGVKF-UHFFFAOYSA-N 0 0 256.349 2.956 10 10 CFCERN Nc1ccc(Cc2nc(-c3cccc(F)c3)n[nH]2)cc1 ZINC000072236641 176345575 /nfs/dbraw/zinc/34/55/75/176345575.db2.gz LREYHMWUHXEFBW-UHFFFAOYSA-N 0 0 268.295 2.784 10 10 CFCERN N[C@@H](c1cc(Br)ccc1O)C(F)(F)F ZINC000072190860 295295659 /nfs/dbraw/zinc/29/56/59/295295659.db2.gz OBMKPUYGXHSYMR-ZETCQYMHSA-N 0 0 270.048 2.717 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]CC1CCSCC1 ZINC000166116989 526327903 /nfs/dbraw/zinc/32/79/03/526327903.db2.gz JLNFHUNNKDAZFL-UHFFFAOYSA-N 0 0 255.358 2.764 10 10 CFCERN CC1(C)C[C@H]([NH2+]Cc2cccc(F)c2[O-])CCO1 ZINC000158835297 520555923 /nfs/dbraw/zinc/55/59/23/520555923.db2.gz LRXXZHQZWWVHOK-LLVKDONJSA-N 0 0 253.317 2.579 10 10 CFCERN CCC[C@]1([NH2+]Cc2cccc(F)c2[O-])CCOC1 ZINC000289845966 521322853 /nfs/dbraw/zinc/32/28/53/521322853.db2.gz UUGDTDJWTAXMKC-AWEZNQCLSA-N 0 0 253.317 2.580 10 10 CFCERN CCOC1(C)CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000292701345 521635650 /nfs/dbraw/zinc/63/56/50/521635650.db2.gz CKDGSLPTNYSXOF-UHFFFAOYSA-N 0 0 267.344 2.922 10 10 CFCERN CN(C)[C@H](C[NH2+]Cc1cccc(F)c1[O-])c1cccs1 ZINC000164939644 522087468 /nfs/dbraw/zinc/08/74/68/522087468.db2.gz OLBVVZVKQKBOBB-CYBMUJFWSA-N 0 0 294.395 2.985 10 10 CFCERN COc1ccc(C[NH2+]Cc2cccc(F)c2[O-])c(OC)c1 ZINC000165041745 524073659 /nfs/dbraw/zinc/07/36/59/524073659.db2.gz OMMFJLQXJYOMNQ-UHFFFAOYSA-N 0 0 291.322 2.838 10 10 CFCERN Cc1ccccc1CS(=O)(=O)Cc1ccc(N)cc1 ZINC000054964224 525176748 /nfs/dbraw/zinc/17/67/48/525176748.db2.gz URWKIPGOOBGLMA-UHFFFAOYSA-N 0 0 275.373 2.692 10 10 CFCERN C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000273367788 525378606 /nfs/dbraw/zinc/37/86/06/525378606.db2.gz BWKSXAOJEJPYAO-TVQRCGJNSA-N 0 0 255.333 2.589 10 10 CFCERN C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000062745439 525601540 /nfs/dbraw/zinc/60/15/40/525601540.db2.gz PYQYBLXEBAPVEZ-BFVZDQMLSA-N 0 0 253.317 2.749 10 10 CFCERN Cc1cc(C(=O)N(C)c2ccc(N)cc2)ccc1F ZINC000063055221 526229032 /nfs/dbraw/zinc/22/90/32/526229032.db2.gz AHGQLWOSAGKAEM-UHFFFAOYSA-N 0 0 258.296 2.993 10 10 CFCERN COC1(CC[NH2+]Cc2cccc(F)c2[O-])CCC1 ZINC000310917647 618656651 /nfs/dbraw/zinc/65/66/51/618656651.db2.gz ZNHPJYRBLPVJCE-UHFFFAOYSA-N 0 0 253.317 2.580 10 10 CFCERN CNC(=O)c1cccc(NCc2cccc(F)c2O)c1 ZINC000164935000 622974741 /nfs/dbraw/zinc/97/47/41/622974741.db2.gz VDGBUOFDWNUDNW-UHFFFAOYSA-N 0 0 274.295 2.503 10 10 CFCERN NC(=O)Nc1cccc(NCc2cccc(F)c2O)c1 ZINC000165012081 622978238 /nfs/dbraw/zinc/97/82/38/622978238.db2.gz JNELSTQLJARORA-UHFFFAOYSA-N 0 0 275.283 2.634 10 10 CFCERN COc1ccc(N(C)Cc2nnnn2C(C)C)cc1Cl ZINC000121878372 638900956 /nfs/dbraw/zinc/90/09/56/638900956.db2.gz XIKNLGLQYAVODG-UHFFFAOYSA-N 0 0 295.774 2.552 10 10 CFCERN Cc1[nH]nc(N=Nc2c(N)n[nH]c2N)c1-c1ccccc1 ZINC000252462839 651005521 /nfs/dbraw/zinc/00/55/21/651005521.db2.gz WRQBODFBGXCLMV-UHFFFAOYSA-N 0 0 282.311 2.688 10 10 CFCERN Nc1nc(N)c(/N=N/c2ccc3ccccc3c2)c(N)n1 ZINC000005117557 346210428 /nfs/dbraw/zinc/21/04/28/346210428.db2.gz GMZHNARLYLDKNB-QZQOTICOSA-N 0 0 279.307 2.792 10 10 CFCERN CCOC(=O)C(=O)C(=O)CCC12CC3CC(CC(C3)C1)C2 ZINC000082224878 347442186 /nfs/dbraw/zinc/44/21/86/347442186.db2.gz XXYDVKKGYSOGLH-UHFFFAOYSA-N 0 0 292.375 2.684 10 10 CFCERN Brc1cc(Sc2nccs2)ncn1 ZINC000160895382 348022224 /nfs/dbraw/zinc/02/22/24/348022224.db2.gz JJLCVUZSWANLSC-UHFFFAOYSA-N 0 0 274.168 2.847 10 10 CFCERN COCCN(Cc1ccc(N)cc1)C(=O)OC(C)(C)C ZINC000606302226 351261206 /nfs/dbraw/zinc/26/12/06/351261206.db2.gz BERCASAFBYTUJM-UHFFFAOYSA-N 0 0 280.368 2.652 10 10 CFCERN CC(=Cc1ccco1)C=C1SC(=S)NC1=O ZINC000002756693 371751071 /nfs/dbraw/zinc/75/10/71/371751071.db2.gz WWRHWDAAJLCVQX-BSIYMUDXSA-N 0 0 251.332 2.715 10 10 CFCERN NN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S ZINC000003071236 371771033 /nfs/dbraw/zinc/77/10/33/371771033.db2.gz OJAXRYLNCPPPOA-WQLSENKSSA-N 0 0 286.381 2.915 10 10 CFCERN Oc1cc2c(cc1O)[C@@H]1c3ccccc3CCN1CC2 ZINC000013739906 372046144 /nfs/dbraw/zinc/04/61/44/372046144.db2.gz ORHIGFQDQVYZPJ-KRWDZBQOSA-N 0 0 267.328 2.601 10 10 CFCERN CC(C)[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000125025857 377110360 /nfs/dbraw/zinc/11/03/60/377110360.db2.gz DFYWPKNRZXTTSQ-CQSZACIVSA-N 0 0 287.407 2.907 10 10 CFCERN CCOC(=O)c1ccc(Oc2ccc(N)cn2)cc1 ZINC000143151221 378243531 /nfs/dbraw/zinc/24/35/31/378243531.db2.gz UOTDXXJLURAYMG-UHFFFAOYSA-N 0 0 258.277 2.633 10 10 CFCERN CC[C@@H](C)[C@@H](C[NH2+]Cc1cccc(F)c1[O-])OC ZINC000294216214 382463529 /nfs/dbraw/zinc/46/35/29/382463529.db2.gz MYLDECXNGUTXRC-ZWNOBZJWSA-N 0 0 255.333 2.682 10 10 CFCERN CC[C@H](NC(=O)c1ccccc1C(=O)N=N)C(=O)C=NN ZINC000575041680 382723849 /nfs/dbraw/zinc/72/38/49/382723849.db2.gz NCDHFEBHXQCVAV-UVOGBKFZSA-N 0 0 289.295 2.797 10 10 CFCERN CN(C)c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000514259352 383153712 /nfs/dbraw/zinc/15/37/12/383153712.db2.gz XKKSZQDEASQGFD-UHFFFAOYSA-N 0 0 250.176 2.559 10 10 CFCERN Cc1nc(N2CCN(c3ccc(N)cc3)CC2)sc1C ZINC000087302983 135049659 /nfs/dbraw/zinc/04/96/59/135049659.db2.gz NBQJVDHFRGVLPT-UHFFFAOYSA-N 0 0 288.420 2.669 10 10 CFCERN C[C@@H](Nc1ccc(C(N)=O)cc1)c1ccccc1O ZINC000019911385 170922025 /nfs/dbraw/zinc/92/20/25/170922025.db2.gz AFOKTJSVBLCWGF-SNVBAGLBSA-N 0 0 256.305 2.664 10 10 CFCERN Cc1ccc(NC(=O)COCc2ccc(N)cc2)cc1 ZINC000019967336 170948910 /nfs/dbraw/zinc/94/89/10/170948910.db2.gz GTSPFRUMBZKJNK-UHFFFAOYSA-N 0 0 270.332 2.733 10 10 CFCERN Cc1nn(C)c(C)c1NCc1ccc(N(C)C)cc1 ZINC000020134545 171022707 /nfs/dbraw/zinc/02/27/07/171022707.db2.gz GZSUPBIMWHMEPX-UHFFFAOYSA-N 0 0 258.369 2.715 10 10 CFCERN CCC(C)(C)O[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000020507761 171229190 /nfs/dbraw/zinc/22/91/90/171229190.db2.gz SGBHKUAQIBJKEQ-JTQLQIEISA-N 0 0 250.342 2.801 10 10 CFCERN COc1cccc(OCCC(=O)Nc2ccc(N)cc2)c1 ZINC000022174985 171369711 /nfs/dbraw/zinc/36/97/11/171369711.db2.gz DTHHLSBZULFQKU-UHFFFAOYSA-N 0 0 286.331 2.685 10 10 CFCERN CN(Cc1ccccc1)c1cc2c(cc1N)NC(=O)CC2 ZINC000035341172 172133480 /nfs/dbraw/zinc/13/34/80/172133480.db2.gz PTNBNHAMVODNKS-UHFFFAOYSA-N 0 0 281.359 2.790 10 10 CFCERN COC(=O)[C@@H](N[C@H](C)c1cc(C)ccc1O)C(C)C ZINC000035629063 172308960 /nfs/dbraw/zinc/30/89/60/172308960.db2.gz GVYDLDCVYLZCKU-RISCZKNCSA-N 0 0 265.353 2.549 10 10 CFCERN C[C@H](NC(=O)CCc1ccc(N)cc1)c1ccco1 ZINC000035739896 172394052 /nfs/dbraw/zinc/39/40/52/172394052.db2.gz VPKGTLYJZPHBAK-NSHDSACASA-N 0 0 258.321 2.672 10 10 CFCERN Nc1ccc(OCc2noc(-c3cccs3)n2)cc1 ZINC000038055581 174066766 /nfs/dbraw/zinc/06/67/66/174066766.db2.gz YOGQUHPDPQRCMM-UHFFFAOYSA-N 0 0 273.317 2.959 10 10 CFCERN Nc1ccc(C[S@@](=O)c2ccc(F)cc2F)cc1 ZINC000040968820 174442264 /nfs/dbraw/zinc/44/22/64/174442264.db2.gz WANAYYCVCGDDLU-SFHVURJKSA-N 0 0 267.300 2.855 10 10 CFCERN Cc1ccc(-c2n[nH]c(Cc3ccc(N)cc3)n2)cc1 ZINC000072236639 176345609 /nfs/dbraw/zinc/34/56/09/176345609.db2.gz QUVJJJOEHLKLBJ-UHFFFAOYSA-N 0 0 264.332 2.953 10 10 CFCERN CCC(CC)(C[NH2+]Cc1cccc(F)c1[O-])OC ZINC000292777070 275954975 /nfs/dbraw/zinc/95/49/75/275954975.db2.gz KZBUSVLTNZBKIJ-UHFFFAOYSA-N 0 0 255.333 2.826 10 10 CFCERN CC(C)c1cc(NCCc2ccc(N)cc2)ncn1 ZINC000040766758 519833486 /nfs/dbraw/zinc/83/34/86/519833486.db2.gz XCSPVJJRUDAUAI-UHFFFAOYSA-N 0 0 256.353 2.837 10 10 CFCERN CN(C)c1ccc(NCc2cc3c(cc2O)OCO3)cc1 ZINC000059044601 522236547 /nfs/dbraw/zinc/23/65/47/522236547.db2.gz KTOJLBMHYDXGAA-UHFFFAOYSA-N 0 0 286.331 2.799 10 10 CFCERN Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000075517005 524136951 /nfs/dbraw/zinc/13/69/51/524136951.db2.gz HDORBCKIQKBGQS-IINYFYTJSA-N 0 0 269.348 2.627 10 10 CFCERN Cc1cc(C(=O)N[C@H]2C[C@H]2C)c(C)n1-c1ccccn1 ZINC000075517015 524157777 /nfs/dbraw/zinc/15/77/77/524157777.db2.gz HDORBCKIQKBGQS-YGRLFVJLSA-N 0 0 269.348 2.627 10 10 CFCERN C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(Cl)c1[O-] ZINC000246017206 524688267 /nfs/dbraw/zinc/68/82/67/524688267.db2.gz ZUGRRENNDLBBJT-AAEUAGOBSA-N 0 0 280.799 2.714 10 10 CFCERN CSC1(C[NH2+]Cc2cccc(F)c2[O-])CCC1 ZINC000228089905 525333711 /nfs/dbraw/zinc/33/37/11/525333711.db2.gz DVQXPRYPWPTOED-UHFFFAOYSA-N 0 0 255.358 2.907 10 10 CFCERN Nc1ccc(COCCCOCC(F)(F)F)cc1 ZINC000049311949 527482439 /nfs/dbraw/zinc/48/24/39/527482439.db2.gz UMRCMKRLQGHONN-UHFFFAOYSA-N 0 0 263.259 2.754 10 10 CFCERN Cc1cc(Br)c([O-])c([C@@H]([NH3+])C2CC2)c1 ZINC000757146375 617819679 /nfs/dbraw/zinc/81/96/79/617819679.db2.gz STWXEGHLILGEQD-JTQLQIEISA-N 0 0 256.143 2.873 10 10 CFCERN C[C@@H]([NH3+])c1c([O-])c(Cl)cc(Br)c1F ZINC000757147460 617823706 /nfs/dbraw/zinc/82/37/06/617823706.db2.gz XLQKWYTUBJXYCB-GSVOUGTGSA-N 0 0 268.513 2.967 10 10 CFCERN [NH3+][C@@H](c1cc(F)cc(Br)c1[O-])C1CC1 ZINC000095716905 618287943 /nfs/dbraw/zinc/28/79/43/618287943.db2.gz MIZHJMMWKVHNDJ-SECBINFHSA-N 0 0 260.106 2.704 10 10 CFCERN CS[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000226612689 623084555 /nfs/dbraw/zinc/08/45/55/623084555.db2.gz YIEIUGWBCPRPEL-WDEREUQCSA-N 0 0 255.358 2.905 10 10 CFCERN CCOc1cccc(CN[C@@H](C)c2ncc(C)o2)c1O ZINC000227555705 625944584 /nfs/dbraw/zinc/94/45/84/625944584.db2.gz BIAUICDUIDBJST-NSHDSACASA-N 0 0 276.336 2.938 10 10 CFCERN C[C@@H](NC(=O)c1cccc(O)c1O)c1cccs1 ZINC000126256872 643082180 /nfs/dbraw/zinc/08/21/80/643082180.db2.gz WDDRPGWAMLAFII-MRVPVSSYSA-N 0 0 263.318 2.650 10 10 CFCERN CCCc1nnc(NCc2cccc(OC)c2O)s1 ZINC000091479287 347589245 /nfs/dbraw/zinc/58/92/45/347589245.db2.gz IMQDBESYPBYWTD-UHFFFAOYSA-N 0 0 279.365 2.817 10 10 CFCERN CC(C)(C)OC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000725273758 539629660 /nfs/dbraw/zinc/62/96/60/539629660.db2.gz AKAAALFCQNTEHA-RMKNXTFCSA-N 0 0 289.375 2.878 10 10 CFCERN [NH3+][C@H](CF)c1ccc(Cl)c(Br)c1[O-] ZINC000307115620 348395802 /nfs/dbraw/zinc/39/58/02/348395802.db2.gz DMBOVNYDEGHAIG-ZCFIWIBFSA-N 0 0 268.513 2.777 10 10 CFCERN C[C@@]1(c2ccccc2)OC2(CCCCC2)C(=O)C1=O ZINC000584620318 348691808 /nfs/dbraw/zinc/69/18/08/348691808.db2.gz GMXMXKSMURIJSL-HNNXBMFYSA-N 0 0 258.317 2.773 10 10 CFCERN CC(C)(C)CC(C)(C)NC=C1SC(=S)NC1=O ZINC000584658297 348702866 /nfs/dbraw/zinc/70/28/66/348702866.db2.gz VEIPCBSCIUKPAP-SOFGYWHQSA-N 0 0 272.439 2.780 10 10 CFCERN O=C1c2oc3cc(O)cc(O)c3c2C(=O)c2ccccc21 ZINC000013651659 372038384 /nfs/dbraw/zinc/03/83/84/372038384.db2.gz BWOJLRXNVPTOIF-UHFFFAOYSA-N 0 0 280.235 2.619 10 10 CFCERN CN(C(=O)c1cc(F)cc(F)c1)c1ccc(N)cc1 ZINC000034939034 372517938 /nfs/dbraw/zinc/51/79/38/372517938.db2.gz IFLZWKVVWZUDMX-UHFFFAOYSA-N 0 0 262.259 2.824 10 10 CFCERN Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000034955786 372520202 /nfs/dbraw/zinc/52/02/02/372520202.db2.gz JUCCWXUXONLZPN-UHFFFAOYSA-N 0 0 288.372 2.558 10 10 CFCERN Cc1ccc(O)c(CN2CCO[C@H](c3nccs3)C2)c1 ZINC000092831844 375162585 /nfs/dbraw/zinc/16/25/85/375162585.db2.gz QNHZOLXMCGUMPJ-AWEZNQCLSA-N 0 0 290.388 2.731 10 10 CFCERN Oc1ccc(OC(F)(F)F)c(Br)c1O ZINC000575686284 382787672 /nfs/dbraw/zinc/78/76/72/382787672.db2.gz LAWVMKNIEJSCHH-UHFFFAOYSA-N 0 0 273.004 2.759 10 10 CFCERN C[C@@H]1CC(C[NH2+]Cc2cccc(F)c2[O-])C[C@@H](C)O1 ZINC000281244275 385186619 /nfs/dbraw/zinc/18/66/19/385186619.db2.gz MCKVHMULDOYPMY-GHMZBOCLSA-N 0 0 267.344 2.825 10 10 CFCERN COc1ccc(N2Cc3cccc(N)c3C2)c(OC)c1 ZINC000011731012 170435078 /nfs/dbraw/zinc/43/50/78/170435078.db2.gz ZVVWOUMSQUAQMX-UHFFFAOYSA-N 0 0 270.332 2.806 10 10 CFCERN CC(C)COCCCC(=O)Nc1ccc(N)cc1 ZINC000019396680 170782834 /nfs/dbraw/zinc/78/28/34/170782834.db2.gz LQNHIEVFMWMXRJ-UHFFFAOYSA-N 0 0 250.342 2.660 10 10 CFCERN C[C@H](Nc1cccc(C(N)=O)c1)c1ccccc1O ZINC000020124885 171007794 /nfs/dbraw/zinc/00/77/94/171007794.db2.gz HYATWHVFBPHABO-JTQLQIEISA-N 0 0 256.305 2.664 10 10 CFCERN Cc1nc(NC(=O)CCc2ccc(N)cc2)sc1C ZINC000020186844 171051476 /nfs/dbraw/zinc/05/14/76/171051476.db2.gz KXYCBLYSFBCAMQ-UHFFFAOYSA-N 0 0 275.377 2.913 10 10 CFCERN Cc1ccccc1OCCC(=O)Nc1ccc(N)cc1 ZINC000022220142 171377467 /nfs/dbraw/zinc/37/74/67/171377467.db2.gz YXOXQYOAPADSPL-UHFFFAOYSA-N 0 0 270.332 2.985 10 10 CFCERN Nc1ccc(NC(=O)CCOc2ccc(F)cc2F)cc1 ZINC000022220526 171377912 /nfs/dbraw/zinc/37/79/12/171377912.db2.gz BUFOPCSRZDKYCP-UHFFFAOYSA-N 0 0 292.285 2.955 10 10 CFCERN C[C@H](C(=O)Nc1ccc(N)cc1)n1cnc2ccccc21 ZINC000022220577 171377964 /nfs/dbraw/zinc/37/79/64/171377964.db2.gz VUVLHAQDZMHYJU-LLVKDONJSA-N 0 0 280.331 2.818 10 10 CFCERN CC[C@H](N[C@H](C(=O)OC)C(C)C)c1ccccc1O ZINC000035346429 172138235 /nfs/dbraw/zinc/13/82/35/172138235.db2.gz CEKXCDPBQOUIFD-JSGCOSHPSA-N 0 0 265.353 2.631 10 10 CFCERN COC(=O)[C@@H](N[C@H](C)c1ccc(C)cc1O)C(C)C ZINC000035346204 172138799 /nfs/dbraw/zinc/13/87/99/172138799.db2.gz BXGUKZMAWGTGKU-RISCZKNCSA-N 0 0 265.353 2.549 10 10 CFCERN Nc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000035407473 172178383 /nfs/dbraw/zinc/17/83/83/172178383.db2.gz UCDCKKSDXOUXCA-UHFFFAOYSA-N 0 0 271.276 2.642 10 10 CFCERN COC(=O)c1oc(COc2ccc(N)cc2)cc1C ZINC000038055617 174067128 /nfs/dbraw/zinc/06/71/28/174067128.db2.gz DQVVXGCCEORYCG-UHFFFAOYSA-N 0 0 261.277 2.536 10 10 CFCERN Cc1cccc2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 ZINC000072194128 176337297 /nfs/dbraw/zinc/33/72/97/176337297.db2.gz HYAMNVOTLYWGGU-UHFFFAOYSA-N 0 0 284.267 2.885 10 10 CFCERN COCCn1cc(N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000037305403 326844315 /nfs/dbraw/zinc/84/43/15/326844315.db2.gz OVWHLQQQIGGISQ-CYBMUJFWSA-N 0 0 288.395 2.769 10 10 CFCERN CC(C)(C)[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CCO1 ZINC000280382886 518947050 /nfs/dbraw/zinc/94/70/50/518947050.db2.gz FPGBPTAYPYYBLB-ZDUSSCGKSA-N 0 0 267.344 2.778 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]C[C@@H]1CCCSC1 ZINC000290228114 526331333 /nfs/dbraw/zinc/33/13/33/526331333.db2.gz SPPDVTVXMBCYOF-JTQLQIEISA-N 0 0 255.358 2.764 10 10 CFCERN COc1ccc(C[NH2+]Cc2cccc(F)c2[O-])cc1 ZINC000083445912 618023738 /nfs/dbraw/zinc/02/37/38/618023738.db2.gz FTRMPNSDEQXIDL-UHFFFAOYSA-N 0 0 261.296 2.830 10 10 CFCERN CCCCOC[C@@H](O)CNc1ccccc1OCC ZINC000227886892 623122946 /nfs/dbraw/zinc/12/29/46/623122946.db2.gz ZKWNJGXOKOJESB-ZDUSSCGKSA-N 0 0 267.369 2.675 10 10 CFCERN Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)o1 ZINC000180653446 625032546 /nfs/dbraw/zinc/03/25/46/625032546.db2.gz FHEFSHXKJHZQKT-AYLMVEPYSA-N 0 0 287.315 2.890 10 10 CFCERN C[C@@H](NC(=O)N(C)Cc1ccccc1O)C(C)(C)C ZINC000112461335 635354933 /nfs/dbraw/zinc/35/49/33/635354933.db2.gz KNZXBOHZSNQDHK-LLVKDONJSA-N 0 0 264.369 2.968 10 10 CFCERN CCN1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000124731385 642309542 /nfs/dbraw/zinc/30/95/42/642309542.db2.gz DYODWUDNQYSYMI-GFCCVEGCSA-N 0 0 268.788 2.620 10 10 CFCERN C[C@](CO)([NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000129381829 645173915 /nfs/dbraw/zinc/17/39/15/645173915.db2.gz JGLSHMGIXMPWOG-MRXNPFEDSA-N 0 0 275.323 2.529 10 10 CFCERN CC(C)N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S ZINC000096569118 650994372 /nfs/dbraw/zinc/99/43/72/650994372.db2.gz SKZNVTSRBGEYMJ-IZZDOVSWSA-N 0 0 295.385 2.707 10 10 CFCERN [NH3+]C[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131357263 645706677 /nfs/dbraw/zinc/70/66/77/645706677.db2.gz PVJVJTIWSRULGS-JTQLQIEISA-N 0 0 275.179 2.622 10 10 CFCERN CCOc1cccc(CNc2nccs2)c1O ZINC000083382634 178383226 /nfs/dbraw/zinc/38/32/26/178383226.db2.gz BSXAASHKTVLQIS-UHFFFAOYSA-N 0 0 250.323 2.860 10 10 CFCERN CN(Cc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000035407767 346321149 /nfs/dbraw/zinc/32/11/49/346321149.db2.gz TVSJNEJSLKMYMW-UHFFFAOYSA-N 0 0 255.321 2.933 10 10 CFCERN CCN1C(=O)C(=C2SCCS2)SC1=S ZINC000059207696 346656105 /nfs/dbraw/zinc/65/61/05/346656105.db2.gz ADPKXPIDMSMDQP-UHFFFAOYSA-N 0 0 263.434 2.516 10 10 CFCERN C[C@@H](c1cc(Br)ccc1O)N1CCOCC1 ZINC000132447418 347884810 /nfs/dbraw/zinc/88/48/10/347884810.db2.gz SSYJOWNPOSFZLO-VIFPVBQESA-N 0 0 286.169 2.548 10 10 CFCERN Oc1c(O)c(Br)ccc1Br ZINC000218266492 348166417 /nfs/dbraw/zinc/16/64/17/348166417.db2.gz OFPHOXBUDUVEAS-UHFFFAOYSA-N 0 0 267.904 2.623 10 10 CFCERN [O-]c1c(Br)ccc(F)c1[C@H]1CCC[NH2+]1 ZINC000218371655 348166456 /nfs/dbraw/zinc/16/64/56/348166456.db2.gz MRGPJWGIVHBOLQ-MRVPVSSYSA-N 0 0 260.106 2.718 10 10 CFCERN Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)o1 ZINC000177665825 380363945 /nfs/dbraw/zinc/36/39/45/380363945.db2.gz VGHXHLVUEPFHGK-JTQLQIEISA-N 0 0 275.304 2.799 10 10 CFCERN Nc1ccc(N2C(=O)c3ccccc3C2=O)c2cccnc12 ZINC000306702650 382460560 /nfs/dbraw/zinc/46/05/60/382460560.db2.gz ALIUHCYGYNKVEV-UHFFFAOYSA-N 0 0 289.294 2.618 10 10 CFCERN CC[C@H](C)[C@@H](C[NH2+]Cc1cccc(F)c1[O-])OC ZINC000294216210 382463327 /nfs/dbraw/zinc/46/33/27/382463327.db2.gz MYLDECXNGUTXRC-GXFFZTMASA-N 0 0 255.333 2.682 10 10 CFCERN CN(C)c1ccc(OCF)c(OC(F)(F)F)c1 ZINC000575397113 382769557 /nfs/dbraw/zinc/76/95/57/382769557.db2.gz QMRCLISUBWDADK-UHFFFAOYSA-N 0 0 253.195 2.957 10 10 CFCERN O=C1NC(=S)S/C1=C/c1cccc(Cl)c1O ZINC000575327269 382758643 /nfs/dbraw/zinc/75/86/43/382758643.db2.gz KVOHNBDAJNGWFE-QPJJXVBHSA-N 0 0 271.750 2.534 10 10 CFCERN Cc1cccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)c1 ZINC000008030981 393468351 /nfs/dbraw/zinc/46/83/51/393468351.db2.gz DXTWORVCDLOTAJ-UHFFFAOYSA-N 0 0 295.386 2.540 10 10 CFCERN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)[C@H]2CCCO2)c1[O-] ZINC000183137887 393516862 /nfs/dbraw/zinc/51/68/62/393516862.db2.gz CSQRNTYRHVQZJO-YMTOWFKASA-N 0 0 297.782 2.905 10 10 CFCERN CCOC(=O)c1[nH]c2c(c1C[C@@H](CC)[N+](=O)[O-])CCCC2 ZINC000006002973 170166933 /nfs/dbraw/zinc/16/69/33/170166933.db2.gz CLXWPRKKDQNNRL-SNVBAGLBSA-N 0 0 294.351 2.668 10 10 CFCERN O=C1C[C@H](c2ccc(O)c(O)c2)Oc2ccccc21 ZINC000006582975 170215962 /nfs/dbraw/zinc/21/59/62/170215962.db2.gz LHARPARLCDEZDK-OAHLLOKOSA-N 0 0 256.257 2.804 10 10 CFCERN COc1ccc(C2=NN[C@@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000008472976 170336937 /nfs/dbraw/zinc/33/69/37/170336937.db2.gz GMLZJOJKGISXOM-CQSZACIVSA-N 0 0 286.306 2.979 10 10 CFCERN COc1ccccc1[C@@H]1CC(c2ccc(O)cc2)=NN1 ZINC000008496467 170338211 /nfs/dbraw/zinc/33/82/11/170338211.db2.gz RHNYDOHWRVRKEH-HNNXBMFYSA-N 0 0 268.316 2.840 10 10 CFCERN Cc1cc(=O)oc2cc(Oc3ccc(N)cn3)ccc12 ZINC000019256477 170759748 /nfs/dbraw/zinc/75/97/48/170759748.db2.gz ULEXOYDFYAXXGP-UHFFFAOYSA-N 0 0 268.272 2.871 10 10 CFCERN Nc1ccc(NC(=O)CCN2CCc3ccccc32)cc1 ZINC000022218605 171376886 /nfs/dbraw/zinc/37/68/86/171376886.db2.gz GFHBRLUHVUBACE-UHFFFAOYSA-N 0 0 281.359 2.660 10 10 CFCERN Nc1ccc(NC(=O)CCOc2ccccc2F)cc1 ZINC000022223106 171379068 /nfs/dbraw/zinc/37/90/68/171379068.db2.gz PGYLCNDKFQUDQA-UHFFFAOYSA-N 0 0 274.295 2.816 10 10 CFCERN CCOc1ccc2nc(/N=N/NC(N)=S)sc2c1 ZINC000027586919 171523730 /nfs/dbraw/zinc/52/37/30/171523730.db2.gz NHYQUJYAOAGFQT-UHFFFAOYSA-N 0 0 281.366 2.527 10 10 CFCERN CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\N(C)C ZINC000032125463 171713560 /nfs/dbraw/zinc/71/35/60/171713560.db2.gz MBJMJYPYKUDTHY-RAXLEYEMSA-N 0 0 275.327 2.774 10 10 CFCERN CC(=O)Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC000035407476 172178370 /nfs/dbraw/zinc/17/83/70/172178370.db2.gz ISMHCUUMFFTEED-UHFFFAOYSA-N 0 0 284.319 2.871 10 10 CFCERN COc1ccccc1CNC(=O)Nc1ccc(N)cc1 ZINC000035407611 172178386 /nfs/dbraw/zinc/17/83/86/172178386.db2.gz MQJLZXVOAPWHAT-UHFFFAOYSA-N 0 0 271.320 2.599 10 10 CFCERN Nc1ccc(CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000035677486 172348103 /nfs/dbraw/zinc/34/81/03/172348103.db2.gz GRHGYUIZPIMJNN-UHFFFAOYSA-N 0 0 295.791 2.939 10 10 CFCERN COc1ccc(CNc2ccc(N)cc2)cc1OC ZINC000036750275 172677079 /nfs/dbraw/zinc/67/70/79/172677079.db2.gz YUMNRJAUVPGTEB-UHFFFAOYSA-N 0 0 258.321 2.898 10 10 CFCERN COc1ncccc1NCc1ccc(N(C)C)cc1 ZINC000037070405 172931134 /nfs/dbraw/zinc/93/11/34/172931134.db2.gz GEMWOAIOFMMCKE-UHFFFAOYSA-N 0 0 257.337 2.768 10 10 CFCERN COC(=O)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000037417002 173194507 /nfs/dbraw/zinc/19/45/07/173194507.db2.gz CUWRLGMFVBZRRH-UHFFFAOYSA-N 0 0 292.162 2.742 10 10 CFCERN Nc1ccc(Oc2cc3ccccc3c(=O)[nH]2)cc1 ZINC000038056380 174067600 /nfs/dbraw/zinc/06/76/00/174067600.db2.gz MPWJIKIENYVULO-UHFFFAOYSA-N 0 0 252.273 2.903 10 10 CFCERN Cc1cc(C(=O)N(C)[C@@H](C)c2ccccc2O)on1 ZINC000038089676 174103011 /nfs/dbraw/zinc/10/30/11/174103011.db2.gz LBPCNOXCWIEUKE-JTQLQIEISA-N 0 0 260.293 2.522 10 10 CFCERN C[C@@H](c1ccccc1O)N(C)S(=O)(=O)c1cccs1 ZINC000038089846 174103218 /nfs/dbraw/zinc/10/32/18/174103218.db2.gz NBCLYACCSXGWFN-JTQLQIEISA-N 0 0 297.401 2.835 10 10 CFCERN COC[C@H]1CCCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000368658430 267194441 /nfs/dbraw/zinc/19/44/41/267194441.db2.gz IVLUBSZTRSGTHI-LBPRGKRZSA-N 0 0 267.344 2.780 10 10 CFCERN CC(C)N(CC[NH2+]Cc1cccc(F)c1[O-])C(C)C ZINC000158662342 519647914 /nfs/dbraw/zinc/64/79/14/519647914.db2.gz GBAKGPJKCAOWCS-UHFFFAOYSA-N 0 0 268.376 2.740 10 10 CFCERN COCCn1cc(N[C@H](C)c2cc(F)ccc2O)cn1 ZINC000094617438 522110935 /nfs/dbraw/zinc/11/09/35/522110935.db2.gz QUZAAHDSGYQTBC-SNVBAGLBSA-N 0 0 279.315 2.547 10 10 CFCERN CN(C)c1ccc(NCc2cccc(O)c2O)cc1 ZINC000058491987 522235747 /nfs/dbraw/zinc/23/57/47/522235747.db2.gz ZMCOKHCFDNZCNF-UHFFFAOYSA-N 0 0 258.321 2.776 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]CCSC(F)(F)F ZINC000226585144 526331405 /nfs/dbraw/zinc/33/14/05/526331405.db2.gz KNIWPWVBRYCHQX-UHFFFAOYSA-N 0 0 269.263 2.874 10 10 CFCERN CC(C)[C@@H]([NH3+])c1cc(F)cc(Br)c1[O-] ZINC000095716882 618287913 /nfs/dbraw/zinc/28/79/13/618287913.db2.gz QUEIBLWVXSQLQP-SECBINFHSA-N 0 0 262.122 2.950 10 10 CFCERN CC1=CC2=NC(=O)/C(=C/C=C\c3ccccc3)C(=N)N2O1 ZINC000096468542 618310863 /nfs/dbraw/zinc/31/08/63/618310863.db2.gz AMEVPTKRHMAULV-GZKRDBIESA-N 0 0 279.299 2.693 10 10 CFCERN CC(C)[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000055070891 622933206 /nfs/dbraw/zinc/93/32/06/622933206.db2.gz LDAAREYWKOMGQG-ZDUSSCGKSA-N 0 0 277.412 2.939 10 10 CFCERN CCCCOC[C@H](O)CNc1ccccc1OCC ZINC000227886896 623123124 /nfs/dbraw/zinc/12/31/24/623123124.db2.gz ZKWNJGXOKOJESB-CYBMUJFWSA-N 0 0 267.369 2.675 10 10 CFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000075978536 625210332 /nfs/dbraw/zinc/21/03/32/625210332.db2.gz KEXJHQJESYUWIY-SWLSCSKDSA-N 0 0 275.396 2.740 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]CCOc1ccccc1 ZINC000083445935 625849236 /nfs/dbraw/zinc/84/92/36/625849236.db2.gz XBSFZBMTYHDKLA-UHFFFAOYSA-N 0 0 261.296 2.700 10 10 CFCERN CC(C)[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000043069284 650003195 /nfs/dbraw/zinc/00/31/95/650003195.db2.gz OHOPCADGYFQNMQ-NSHDSACASA-N 0 0 250.342 2.578 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000158719717 650234143 /nfs/dbraw/zinc/23/41/43/650234143.db2.gz HCUIRUJUMBKSHG-ZDUSSCGKSA-N 0 0 257.308 2.961 10 10 CFCERN C[C@@](CO)([NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000129382066 645174708 /nfs/dbraw/zinc/17/47/08/645174708.db2.gz JGLSHMGIXMPWOG-INIZCTEOSA-N 0 0 275.323 2.529 10 10 CFCERN C[C@H]1C[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000052275728 346518643 /nfs/dbraw/zinc/51/86/43/346518643.db2.gz XEVJSIZXRADBQE-XVKPBYJWSA-N 0 0 256.143 2.653 10 10 CFCERN C[C@@H]([NH2+]CCO)c1ccc(N2CCC[C@@H](C)C2)c(F)c1 ZINC000020569991 372239472 /nfs/dbraw/zinc/23/94/72/372239472.db2.gz WIARLQSLBTVGFI-CHWSQXEVSA-N 0 0 280.387 2.705 10 10 CFCERN C[C@@H]([NH2+]CCO)c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000020572057 372240379 /nfs/dbraw/zinc/24/03/79/372240379.db2.gz JPNTZEBEGONSIR-CYBMUJFWSA-N 0 0 280.387 2.705 10 10 CFCERN CN(C(=O)c1ccc(Br)o1)c1ccc(N)cc1 ZINC000034939041 372517882 /nfs/dbraw/zinc/51/78/82/372517882.db2.gz ZCPNBZYGFKCKPD-UHFFFAOYSA-N 0 0 295.136 2.901 10 10 CFCERN Cc1ccccc1C(=O)NC(=S)Nc1ccc(N)cc1 ZINC000168223966 379083593 /nfs/dbraw/zinc/08/35/93/379083593.db2.gz WDMCGXYJGRNTSR-UHFFFAOYSA-N 0 0 285.372 2.704 10 10 CFCERN Cc1csc([C@H]2CN(Cc3ccccc3O)CCO2)n1 ZINC000179567529 380559039 /nfs/dbraw/zinc/55/90/39/380559039.db2.gz UGESAPYRTVTXQS-CQSZACIVSA-N 0 0 290.388 2.731 10 10 CFCERN Cc1ccc(C(=O)N2CCC[C@H]2c2ccco2)c(O)c1O ZINC000182457772 381090647 /nfs/dbraw/zinc/09/06/47/381090647.db2.gz OMFINPVXLQNSDQ-LBPRGKRZSA-N 0 0 287.315 2.977 10 10 CFCERN CC[C@H](C)[C@H](C[NH2+]Cc1cccc(F)c1[O-])OC ZINC000294216208 382463491 /nfs/dbraw/zinc/46/34/91/382463491.db2.gz MYLDECXNGUTXRC-GWCFXTLKSA-N 0 0 255.333 2.682 10 10 CFCERN COc1cccc(NC(=O)Nc2ccc(N)cc2)c1 ZINC000035407959 184537573 /nfs/dbraw/zinc/53/75/73/184537573.db2.gz JRZHHYPNCCMMIV-UHFFFAOYSA-N 0 0 257.293 2.921 10 10 CFCERN COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000189990532 382648868 /nfs/dbraw/zinc/64/88/68/382648868.db2.gz PJZXYHXVYDXNHH-MRXNPFEDSA-N 0 0 277.364 2.537 10 10 CFCERN CCOC(=O)c1cc(N(C)C)ccc1OC(F)(F)F ZINC000575397046 382769613 /nfs/dbraw/zinc/76/96/13/382769613.db2.gz AVPSAXNXIHSECQ-UHFFFAOYSA-N 0 0 277.242 2.828 10 10 CFCERN COC(=O)c1ccc(-n2c(C)ccc2C)cc1OC ZINC000222124633 382801210 /nfs/dbraw/zinc/80/12/10/382801210.db2.gz CLWNYAJTFPJXSS-UHFFFAOYSA-N 0 0 259.305 2.889 10 10 CFCERN COc1ccc(O)c([C@H]2CC(c3ccccc3)=NN2)c1 ZINC000000568162 169669550 /nfs/dbraw/zinc/66/95/50/169669550.db2.gz YSUUESBKOXHAEX-OAHLLOKOSA-N 0 0 268.316 2.840 10 10 CFCERN CCN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O ZINC000006869963 170251430 /nfs/dbraw/zinc/25/14/30/170251430.db2.gz SYABIZPQAHACHD-XFXZXTDPSA-N 0 0 276.361 2.809 10 10 CFCERN Nc1n[nH]cc1-c1nc(-c2ccc(F)cc2)cs1 ZINC000009407455 170375992 /nfs/dbraw/zinc/37/59/92/170375992.db2.gz ZPRZAUDABURHOF-UHFFFAOYSA-N 0 0 260.297 2.922 10 10 CFCERN Oc1ccc(CNc2ccc3c(c2)OCCCO3)c(O)c1 ZINC000019906102 170918147 /nfs/dbraw/zinc/91/81/47/170918147.db2.gz FUZKTCKABYCDEB-UHFFFAOYSA-N 0 0 287.315 2.871 10 10 CFCERN Oc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NN1 ZINC000020390138 171178635 /nfs/dbraw/zinc/17/86/35/171178635.db2.gz IDGMXKDATHDEBA-AWEZNQCLSA-N 0 0 256.280 2.970 10 10 CFCERN C[C@H](C(=O)Nc1ccc(N)cc1)N1CCc2ccccc21 ZINC000022167415 171366305 /nfs/dbraw/zinc/36/63/05/171366305.db2.gz CWXUQZDLMDZGBZ-GFCCVEGCSA-N 0 0 281.359 2.659 10 10 CFCERN O=C(Nc1nc2ccccc2s1)c1ccc(O)c(O)c1 ZINC000029406640 171597209 /nfs/dbraw/zinc/59/72/09/171597209.db2.gz GNKKDFRNLWHCEP-UHFFFAOYSA-N 0 0 286.312 2.960 10 10 CFCERN Cc1cc(C(=O)N(C)Cc2ccc(N)cc2)c(C)o1 ZINC000035360150 172150797 /nfs/dbraw/zinc/15/07/97/172150797.db2.gz HDUIOAGYEAHACT-UHFFFAOYSA-N 0 0 258.321 2.751 10 10 CFCERN CC(C)(C)NC(=O)N(Cc1ccc(N)cc1)C1CC1 ZINC000035365968 172157194 /nfs/dbraw/zinc/15/71/94/172157194.db2.gz PRNLSOMUANLJMJ-UHFFFAOYSA-N 0 0 261.369 2.741 10 10 CFCERN Cn1cc(NCc2ccc(N3CCCC3)cc2)cn1 ZINC000037259847 173070089 /nfs/dbraw/zinc/07/00/89/173070089.db2.gz IHKLNALKZMHINF-UHFFFAOYSA-N 0 0 256.353 2.632 10 10 CFCERN COC(=O)c1ccccc1CNc1ccc(O)cc1 ZINC000037316760 173117387 /nfs/dbraw/zinc/11/73/87/173117387.db2.gz QFWOYLDGQKFFOX-UHFFFAOYSA-N 0 0 257.289 2.791 10 10 CFCERN CCS(=O)(=O)c1ccc(Oc2ccc(N)cc2)cc1 ZINC000038056402 174067830 /nfs/dbraw/zinc/06/78/30/174067830.db2.gz SFANONJJJJBUHQ-UHFFFAOYSA-N 0 0 277.345 2.855 10 10 CFCERN C[C@@H](c1ccccc1O)N(C)C(=O)c1ccncc1 ZINC000038089414 174102110 /nfs/dbraw/zinc/10/21/10/174102110.db2.gz DEVFLQXRKSQNCI-NSHDSACASA-N 0 0 256.305 2.620 10 10 CFCERN Cc1ncsc1C(=O)N(C)[C@@H](C)c1ccccc1O ZINC000038089560 174103031 /nfs/dbraw/zinc/10/30/31/174103031.db2.gz LXAHLLTYHUWCFQ-JTQLQIEISA-N 0 0 276.361 2.990 10 10 CFCERN C[C@@H](c1ccccc1O)N(C)C(=O)CC(F)(F)F ZINC000038089496 174103386 /nfs/dbraw/zinc/10/33/86/174103386.db2.gz URBVHLKVLIDGND-QMMMGPOBSA-N 0 0 261.243 2.864 10 10 CFCERN CN(C)c1cccc(OCCOc2ccc(N)cc2)c1 ZINC000040714149 174381832 /nfs/dbraw/zinc/38/18/32/174381832.db2.gz LPJPJZOYUVCADV-UHFFFAOYSA-N 0 0 272.348 2.793 10 10 CFCERN COc1ccc(-c2n[nH]c(Cc3ccc(N)cc3)n2)cc1 ZINC000072236621 176345893 /nfs/dbraw/zinc/34/58/93/176345893.db2.gz OLKHGKMEIDGLEY-UHFFFAOYSA-N 0 0 280.331 2.653 10 10 CFCERN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@@H](C)C2)c1O ZINC000037322621 260089653 /nfs/dbraw/zinc/08/96/53/260089653.db2.gz BSUXPXQGVZVSDT-UWVGGRQHSA-N 0 0 297.782 2.857 10 10 CFCERN CC(C)C[C@@H](C[NH2+]Cc1cccc(F)c1[O-])N(C)C ZINC000158681604 519213042 /nfs/dbraw/zinc/21/30/42/519213042.db2.gz ITLRPFVSONLKJG-ZDUSSCGKSA-N 0 0 268.376 2.597 10 10 CFCERN CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062748213 519793967 /nfs/dbraw/zinc/79/39/67/519793967.db2.gz PXGLGWSOYYUGEA-BXUZGUMPSA-N 0 0 268.376 2.768 10 10 CFCERN CC1(C)CCN(C(=O)CCc2ccc(N)cc2)CC1 ZINC000061818621 520366549 /nfs/dbraw/zinc/36/65/49/520366549.db2.gz YJDXGEOVJRLDBY-UHFFFAOYSA-N 0 0 260.381 2.850 10 10 CFCERN CCCc1nsc(NCCc2ccc(N)cc2)n1 ZINC000087642550 521599067 /nfs/dbraw/zinc/59/90/67/521599067.db2.gz UHMAKWRQRZRKBQ-UHFFFAOYSA-N 0 0 262.382 2.727 10 10 CFCERN CCOCC(C)(C)C[NH2+]Cc1cccc(F)c1[O-] ZINC000290076033 521668857 /nfs/dbraw/zinc/66/88/57/521668857.db2.gz GCIYALNHBBKXLD-UHFFFAOYSA-N 0 0 255.333 2.684 10 10 CFCERN CN(C)[C@@H](C[NH2+]Cc1cccc(F)c1[O-])c1cccs1 ZINC000164939522 522029678 /nfs/dbraw/zinc/02/96/78/522029678.db2.gz OLBVVZVKQKBOBB-ZDUSSCGKSA-N 0 0 294.395 2.985 10 10 CFCERN COc1ccc(C)cc1COc1ccc(C)nc1N ZINC000050702037 523813695 /nfs/dbraw/zinc/81/36/95/523813695.db2.gz IKTDJDAENATRSW-UHFFFAOYSA-N 0 0 258.321 2.868 10 10 CFCERN C[C@@H](N[C@H]1CCCn2ncnc21)c1ccc(N(C)C)cc1 ZINC000164683232 525682099 /nfs/dbraw/zinc/68/20/99/525682099.db2.gz WTBHCKAOTHRHJY-DOMZBBRYSA-N 0 0 285.395 2.530 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000164934225 526331484 /nfs/dbraw/zinc/33/14/84/526331484.db2.gz GIUHUYLABDNDIR-UHFFFAOYSA-N 0 0 289.306 2.592 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]CC[C@@H]1CCCCO1 ZINC000227522068 526331687 /nfs/dbraw/zinc/33/16/87/526331687.db2.gz ZCWFGNJHAXDRBE-LBPRGKRZSA-N 0 0 253.317 2.580 10 10 CFCERN O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)c(O)cc21 ZINC000030730397 560090795 /nfs/dbraw/zinc/09/07/95/560090795.db2.gz UABMFOBSIHSWFQ-AWEZNQCLSA-N 0 0 272.256 2.510 10 10 biogenic,in-vitro CFCERN CC(C)Oc1cncc(NCCc2ccc(N)cc2)n1 ZINC000071176136 617983029 /nfs/dbraw/zinc/98/30/29/617983029.db2.gz OSXHQYUMCMFMCF-UHFFFAOYSA-N 0 0 272.352 2.501 10 10 CFCERN COc1ccccc1C[NH2+]Cc1cccc(F)c1[O-] ZINC000083445927 618023683 /nfs/dbraw/zinc/02/36/83/618023683.db2.gz VQPBCQYLUDGSJV-UHFFFAOYSA-N 0 0 261.296 2.830 10 10 CFCERN Cc1ccccc1[C@@H](C)NC(=O)c1cccc(O)c1O ZINC000126313280 643115900 /nfs/dbraw/zinc/11/59/00/643115900.db2.gz ADNFWCDDIOBYNG-LLVKDONJSA-N 0 0 271.316 2.897 10 10 CFCERN O=C1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000100603834 185721085 /nfs/dbraw/zinc/72/10/85/185721085.db2.gz LPCQERDETYPGEY-OAHLLOKOSA-N 0 0 288.255 2.542 10 10 CFCERN CN(C)c1ccc(CNNCc2ccc(N(C)C)cc2)cc1 ZINC000095870027 347699219 /nfs/dbraw/zinc/69/92/19/347699219.db2.gz MWMPTGBRYISRSZ-UHFFFAOYSA-N 0 0 298.434 2.613 10 10 CFCERN C[C@H](c1cc(Br)ccc1O)N1CCOCC1 ZINC000132447622 347884782 /nfs/dbraw/zinc/88/47/82/347884782.db2.gz SSYJOWNPOSFZLO-SECBINFHSA-N 0 0 286.169 2.548 10 10 CFCERN O=C1CCCc2c1ccc1c2C(=O)c2ccccc2C1=O ZINC000196197059 348147795 /nfs/dbraw/zinc/14/77/95/348147795.db2.gz WJIVHPIDSRNGBT-UHFFFAOYSA-N 0 0 276.291 2.981 10 10 CFCERN CCOC(=O)c1ccc(CCc2ccc(N)cc2)nc1 ZINC000584634068 348697482 /nfs/dbraw/zinc/69/74/82/348697482.db2.gz QHEDZRQFVCKLGG-UHFFFAOYSA-N 0 0 270.332 2.626 10 10 CFCERN O=C(CSC1CCCC1)c1ccc(O)c(O)c1 ZINC000057406892 373592543 /nfs/dbraw/zinc/59/25/43/373592543.db2.gz CZJLPKSRHCSHFF-UHFFFAOYSA-N 0 0 252.335 2.956 10 10 CFCERN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(Cl)c1[O-] ZINC000124602191 377068722 /nfs/dbraw/zinc/06/87/22/377068722.db2.gz ZUGRRENNDLBBJT-DGCLKSJQSA-N 0 0 280.799 2.714 10 10 CFCERN COc1ccc(N(C)Cc2nnc(C(C)C)n2C)cc1F ZINC000177066550 380300040 /nfs/dbraw/zinc/30/00/40/380300040.db2.gz PEAOLXGEAHUSFE-UHFFFAOYSA-N 0 0 292.358 2.723 10 10 CFCERN CCC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)C(=O)[O-] ZINC000185047626 381522429 /nfs/dbraw/zinc/52/24/29/381522429.db2.gz OCECFLKDGFFJEB-LBPRGKRZSA-N 0 0 299.754 2.591 10 10 CFCERN CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])[C@@H](C)C1 ZINC000186101613 381823344 /nfs/dbraw/zinc/82/33/44/381823344.db2.gz NTSWWXFBXUQMJD-HUBLWGQQSA-N 0 0 280.387 2.911 10 10 CFCERN CN(C)c1ccc(OC(F)(F)F)c(OCF)c1 ZINC000514259246 383153904 /nfs/dbraw/zinc/15/39/04/383153904.db2.gz HGOSNFBYDVRDRI-UHFFFAOYSA-N 0 0 253.195 2.957 10 10 CFCERN CC1=CC(=NNc2ccc(S(N)(=O)=O)cc2)C(=O)C=C1 ZINC000005681289 170128107 /nfs/dbraw/zinc/12/81/07/170128107.db2.gz IHAROEABOZZVAA-FOCLMDBBSA-N 0 0 291.332 2.763 10 10 CFCERN COc1ccc(N[C@H](C)c2ccc(O)cc2O)cn1 ZINC000019877759 170906016 /nfs/dbraw/zinc/90/60/16/170906016.db2.gz GABSIBTYZBQOBE-SECBINFHSA-N 0 0 260.293 2.675 10 10 CFCERN Oc1ccc(CNc2cc(F)ccc2F)c(O)c1 ZINC000019907803 170919974 /nfs/dbraw/zinc/91/99/74/170919974.db2.gz HRNIJVLGWFUTDM-UHFFFAOYSA-N 0 0 251.232 2.988 10 10 CFCERN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1O ZINC000019917537 170926453 /nfs/dbraw/zinc/92/64/53/170926453.db2.gz JIAGSEHRJONKHE-LLVKDONJSA-N 0 0 291.372 2.969 10 10 CFCERN C[C@@H](Nc1ccc2c(c1)OCO2)c1ccc(O)cc1O ZINC000019966271 170947630 /nfs/dbraw/zinc/94/76/30/170947630.db2.gz NUURJQSYKXNLQA-SECBINFHSA-N 0 0 273.288 3.000 10 10 CFCERN Cc1csc(NC(=O)CCc2ccc(N)cc2)n1 ZINC000020186842 171051490 /nfs/dbraw/zinc/05/14/90/171051490.db2.gz FEEJTYYOTPZWCY-UHFFFAOYSA-N 0 0 261.350 2.605 10 10 CFCERN CCC(C)(C)O[C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000020507762 171229166 /nfs/dbraw/zinc/22/91/66/171229166.db2.gz SGBHKUAQIBJKEQ-SNVBAGLBSA-N 0 0 250.342 2.801 10 10 CFCERN CCC(C)(C)OCCC(=O)Nc1ccc(N)cc1 ZINC000020507736 171229170 /nfs/dbraw/zinc/22/91/70/171229170.db2.gz ASNQUJZUVMWVRZ-UHFFFAOYSA-N 0 0 250.342 2.803 10 10 CFCERN CCN(CC)C(=O)c1cc(Oc2ccc(N)cc2)ccn1 ZINC000035672708 172343881 /nfs/dbraw/zinc/34/38/81/172343881.db2.gz RAQHXCKMTDXEPN-UHFFFAOYSA-N 0 0 285.347 2.938 10 10 CFCERN CC[C@@H](C)CN(C)c1cc2c(cc1N)OCCO2 ZINC000037172814 173006604 /nfs/dbraw/zinc/00/66/04/173006604.db2.gz OKACPKZZHFXLMG-SNVBAGLBSA-N 0 0 250.342 2.522 10 10 CFCERN CC[C@@H]1CCCCN1C(=O)CCc1ccc(N)cc1 ZINC000037222804 173043183 /nfs/dbraw/zinc/04/31/83/173043183.db2.gz KSCKYACKVWNLSL-OAHLLOKOSA-N 0 0 260.381 2.993 10 10 CFCERN Cc1cc(C(=O)N(C)[C@H](C)c2ccccc2O)on1 ZINC000038089677 174103091 /nfs/dbraw/zinc/10/30/91/174103091.db2.gz LBPCNOXCWIEUKE-SNVBAGLBSA-N 0 0 260.293 2.522 10 10 CFCERN CCCCS(=O)(=O)N(C)[C@@H](C)c1ccccc1O ZINC000038089854 174103212 /nfs/dbraw/zinc/10/32/12/174103212.db2.gz ZCEFEFZIYXRGQE-NSHDSACASA-N 0 0 271.382 2.515 10 10 CFCERN Cc1csc(CN[C@H](C)c2cc(O)ccc2O)n1 ZINC000038090662 174103689 /nfs/dbraw/zinc/10/36/89/174103689.db2.gz FXRCJLAKGQUQRL-SECBINFHSA-N 0 0 264.350 2.714 10 10 CFCERN Nc1ccc(Cc2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000072236618 176345820 /nfs/dbraw/zinc/34/58/20/176345820.db2.gz OYWNYHZOUBXBJC-UHFFFAOYSA-N 0 0 268.295 2.784 10 10 CFCERN CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062748211 519793889 /nfs/dbraw/zinc/79/38/89/519793889.db2.gz PXGLGWSOYYUGEA-SMDDNHRTSA-N 0 0 268.376 2.768 10 10 CFCERN COCCn1cc(N[C@H](C)c2ccc(F)cc2O)cn1 ZINC000062747443 522110951 /nfs/dbraw/zinc/11/09/51/522110951.db2.gz SWYFJNUUZSXGEV-SNVBAGLBSA-N 0 0 279.315 2.547 10 10 CFCERN CN(C)C1(C[NH2+]Cc2cccc(F)c2[O-])CCCCC1 ZINC000164932939 524036756 /nfs/dbraw/zinc/03/67/56/524036756.db2.gz XLKFYQFVIRBKBS-UHFFFAOYSA-N 0 0 280.387 2.885 10 10 CFCERN Nc1ccc(OCCn2cc(C(F)(F)F)ccc2=O)cc1 ZINC000057839453 527496930 /nfs/dbraw/zinc/49/69/30/527496930.db2.gz SOWRWVKTTXPSPT-UHFFFAOYSA-N 0 0 298.264 2.528 10 10 CFCERN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H](C)O ZINC000309976164 618258488 /nfs/dbraw/zinc/25/84/88/618258488.db2.gz SXOOYHSWCUAQOU-RQJHMYQMSA-N 0 0 264.152 2.558 10 10 CFCERN CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1cccc(F)c1[O-] ZINC000165017549 622978626 /nfs/dbraw/zinc/97/86/26/622978626.db2.gz IHWCWCSXEGSWNF-AWEZNQCLSA-N 0 0 291.370 2.932 10 10 CFCERN O=C(N[C@H]1CCCc2ccccc21)c1cccc(O)c1O ZINC000114427448 635833037 /nfs/dbraw/zinc/83/30/37/635833037.db2.gz KGAOBKXKPGFHBN-AWEZNQCLSA-N 0 0 283.327 2.905 10 10 CFCERN OCCc1ccc(NCc2cccc(F)c2O)cc1 ZINC000158733130 650235743 /nfs/dbraw/zinc/23/57/43/650235743.db2.gz KWCRXRGHWHNXJQ-UHFFFAOYSA-N 0 0 261.296 2.678 10 10 CFCERN CC(C)[C@H]([NH3+])c1cc(F)cc(Br)c1[O-] ZINC000095706824 650975676 /nfs/dbraw/zinc/97/56/76/650975676.db2.gz QUEIBLWVXSQLQP-VIFPVBQESA-N 0 0 262.122 2.950 10 10 CFCERN O=C1C[C@H](c2ccccc2)Oc2c(O)c(O)cc(O)c21 ZINC000014807067 346234449 /nfs/dbraw/zinc/23/44/49/346234449.db2.gz DWNSJXRFYCRZQD-GFCCVEGCSA-N 0 0 272.256 2.510 10 10 CFCERN C[C@@H]1C[C@@H](C)CN(c2cc3c(cc2N)OCCO3)C1 ZINC000019868426 136578848 /nfs/dbraw/zinc/57/88/48/136578848.db2.gz UAVKXGFPPWTLKG-GHMZBOCLSA-N 0 0 262.353 2.522 10 10 CFCERN N#CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000096347733 347701928 /nfs/dbraw/zinc/70/19/28/347701928.db2.gz XVMDPXFZGPEZMZ-VQHVLOKHSA-N 0 0 280.283 2.625 10 10 CFCERN O=C(CCN1CCc2cc(O)c(O)cc2C1)c1ccccc1 ZINC000584621027 348692835 /nfs/dbraw/zinc/69/28/35/348692835.db2.gz GWXVPHQJAWYGQC-UHFFFAOYSA-N 0 0 297.354 2.729 10 10 CFCERN COc1ccc(C2=NN[C@H](c3cc(OC)ccc3O)C2)cc1 ZINC000000568188 371639889 /nfs/dbraw/zinc/63/98/89/371639889.db2.gz HUOAWAHKGFNDOJ-INIZCTEOSA-N 0 0 298.342 2.848 10 10 CFCERN CN(Cc1ccccc1)/N=N/c1ccc(C(N)=O)cc1 ZINC000002001318 371711920 /nfs/dbraw/zinc/71/19/20/371711920.db2.gz MLOMFNIJYZFUBS-ISLYRVAYSA-N 0 0 268.320 2.916 10 10 CFCERN O=C1C(=O)c2cccc([N+](=O)[O-])c2-c2ccc([N+](=O)[O-])cc21 ZINC000013862821 372051215 /nfs/dbraw/zinc/05/12/15/372051215.db2.gz JWHYMQNUBIWXBR-UHFFFAOYSA-N 0 0 298.210 2.549 10 10 CFCERN CC1=NN(c2nc3ccccc3s2)C(=O)C1=CNC1CC1 ZINC000016512644 372108772 /nfs/dbraw/zinc/10/87/72/372108772.db2.gz CMZLTRQSMGMWKK-FLIBITNWSA-N 0 0 298.371 2.655 10 10 CFCERN COc1ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 ZINC000027205910 372336498 /nfs/dbraw/zinc/33/64/98/372336498.db2.gz OXCBVQSOQCUOSG-UHFFFAOYSA-N 0 0 284.267 2.880 10 10 CFCERN CC(C)(C)OC(=O)NCCCc1ccc(N)cc1 ZINC000032105423 372427782 /nfs/dbraw/zinc/42/77/82/372427782.db2.gz FINXOGYWGUOYQV-UHFFFAOYSA-N 0 0 250.342 2.726 10 10 CFCERN CN(C)c1ccc(NNc2ccccc2[N+](=O)[O-])cc1 ZINC000070461095 374182957 /nfs/dbraw/zinc/18/29/57/374182957.db2.gz MUAZFZUQSYNKQA-PMLWWNAGSA-N 0 0 272.308 2.976 10 10 CFCERN CCc1ccc(C(=O)NC(=S)Nc2ccc(N)cc2)cc1 ZINC000168619219 379093197 /nfs/dbraw/zinc/09/31/97/379093197.db2.gz XKXOOJRRCVPMKQ-UHFFFAOYSA-N 0 0 299.399 2.958 10 10 CFCERN Oc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000180160587 380626505 /nfs/dbraw/zinc/62/65/05/380626505.db2.gz IURWEZHMOMRPAP-AWEZNQCLSA-N 0 0 275.327 2.982 10 10 CFCERN C[C@H]1C[C@H]1c1ccc(C=C2SC(=S)NC2=O)o1 ZINC000255961042 383487961 /nfs/dbraw/zinc/48/79/61/383487961.db2.gz MLGAUACWGHSKQL-HDHNCBKCSA-N 0 0 265.359 2.892 10 10 CFCERN Nc1ccc(N2C(=O)Cc3ccccc3C2=O)c(Cl)c1 ZINC000034957474 134786819 /nfs/dbraw/zinc/78/68/19/134786819.db2.gz KMDLPETYXLAROE-UHFFFAOYSA-N 0 0 286.718 2.652 10 10 CFCERN CC[C@H](N[C@H]1CCCn2ncnc21)c1ccc(N(C)C)cc1 ZINC000164722844 394369545 /nfs/dbraw/zinc/36/95/45/394369545.db2.gz DDTCMMUTVGQBOY-HOTGVXAUSA-N 0 0 299.422 2.920 10 10 CFCERN O=C1CSC(=S)N1Cc1ccc(Cl)cc1 ZINC000003615753 169903039 /nfs/dbraw/zinc/90/30/39/169903039.db2.gz HMIQWKDBBGWKNX-UHFFFAOYSA-N 0 0 257.767 2.700 10 10 CFCERN CC(C)[C@@H](O)[C@@H](c1ccccc1O)n1nnc2ccccc21 ZINC000005285059 170082808 /nfs/dbraw/zinc/08/28/08/170082808.db2.gz TWJYVVJVVMDKFI-IAGOWNOFSA-N 0 0 297.358 2.743 10 10 CFCERN CN(C)c1ccc(/C=C/C(=O)NC2CCCC2)cc1 ZINC000005333918 170086667 /nfs/dbraw/zinc/08/66/67/170086667.db2.gz BTQRRNVQZURLJF-FMIVXFBMSA-N 0 0 258.365 2.825 10 10 CFCERN CN(C)/N=N/c1ccc(I)cc1 ZINC000005957208 170162047 /nfs/dbraw/zinc/16/20/47/170162047.db2.gz YONGWAYQQVMIBR-ZHACJKMWSA-N 0 0 275.093 2.852 10 10 CFCERN COc1ccc(C2=NN[C@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000008472956 170337067 /nfs/dbraw/zinc/33/70/67/170337067.db2.gz GMLZJOJKGISXOM-AWEZNQCLSA-N 0 0 286.306 2.979 10 10 CFCERN Nc1ccc(NC(=O)CCOC2CCCCC2)cc1 ZINC000022175564 171370371 /nfs/dbraw/zinc/37/03/71/171370371.db2.gz HDNSUOGKGYPNRQ-UHFFFAOYSA-N 0 0 262.353 2.947 10 10 CFCERN Nc1ccc(CN(C(=O)C2CCCC2)C2CC2)cc1 ZINC000035365911 172156288 /nfs/dbraw/zinc/15/62/88/172156288.db2.gz FRDZQMNFBFDXJH-UHFFFAOYSA-N 0 0 258.365 2.950 10 10 CFCERN Nc1ccc(COc2ncnc3sccc32)cc1 ZINC000036667364 172646877 /nfs/dbraw/zinc/64/68/77/172646877.db2.gz VNTGBBCREDGGQU-UHFFFAOYSA-N 0 0 257.318 2.853 10 10 CFCERN C[C@@H]1C[C@H](C)CN(C(=O)CCc2ccc(N)cc2)C1 ZINC000037222643 173043001 /nfs/dbraw/zinc/04/30/01/173043001.db2.gz QZFOTFMHGKJIQZ-BETUJISGSA-N 0 0 260.381 2.706 10 10 CFCERN COC(=O)c1ccc(NCc2cc(OC)ccc2O)cc1 ZINC000037307524 173110154 /nfs/dbraw/zinc/11/01/54/173110154.db2.gz APTMRVDAZVMIFX-UHFFFAOYSA-N 0 0 287.315 2.800 10 10 CFCERN CCCN(CC1CC1)C(=O)CCc1ccc(N)cc1 ZINC000038051737 174063334 /nfs/dbraw/zinc/06/33/34/174063334.db2.gz YGPOHYGIDRHAMQ-UHFFFAOYSA-N 0 0 260.381 2.850 10 10 CFCERN CCCCS(=O)(=O)N(C)[C@H](C)c1ccccc1O ZINC000038089855 174103071 /nfs/dbraw/zinc/10/30/71/174103071.db2.gz ZCEFEFZIYXRGQE-LLVKDONJSA-N 0 0 271.382 2.515 10 10 CFCERN CCOC(=O)c1sc(Cc2ccc(N)cc2)nc1C ZINC000041581525 174571242 /nfs/dbraw/zinc/57/12/42/174571242.db2.gz UOJKHRAFRKGBMP-UHFFFAOYSA-N 0 0 276.361 2.801 10 10 CFCERN CCN(CCOc1ccc(N)cc1)CC(F)(F)F ZINC000042737390 174859743 /nfs/dbraw/zinc/85/97/43/174859743.db2.gz KPBOONFYQFQNMT-UHFFFAOYSA-N 0 0 262.275 2.532 10 10 CFCERN CC(=O)N1CCc2cc(N(C)CCc3ccncc3)ccc21 ZINC000071711414 176248595 /nfs/dbraw/zinc/24/85/95/176248595.db2.gz ZQOASTBISCLJGR-UHFFFAOYSA-N 0 0 295.386 2.670 10 10 CFCERN CC(C)[C@H](CN(C)C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062748214 519814713 /nfs/dbraw/zinc/81/47/13/519814713.db2.gz PXGLGWSOYYUGEA-RISCZKNCSA-N 0 0 268.376 2.768 10 10 CFCERN CN(C)[C@@H](C[NH2+]Cc1cccc(F)c1[O-])c1ccco1 ZINC000164934366 522030740 /nfs/dbraw/zinc/03/07/40/522030740.db2.gz CRUZCKJHVVZQIN-ZDUSSCGKSA-N 0 0 278.327 2.517 10 10 CFCERN CC[C@@H](Nc1cnn(CCOC)c1)c1ccccc1O ZINC000037090474 522965738 /nfs/dbraw/zinc/96/57/38/522965738.db2.gz YXVXPFPSAAXCAK-CQSZACIVSA-N 0 0 275.352 2.798 10 10 CFCERN CO[C@@]1(C)CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000230299880 523807084 /nfs/dbraw/zinc/80/70/84/523807084.db2.gz GGWOCQOQAIUDTJ-AWEZNQCLSA-N 0 0 253.317 2.532 10 10 CFCERN C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000273367785 525493497 /nfs/dbraw/zinc/49/34/97/525493497.db2.gz BWKSXAOJEJPYAO-RNCFNFMXSA-N 0 0 255.333 2.589 10 10 CFCERN Cc1cc(Br)c([O-])c([C@H]([NH3+])C2CC2)c1 ZINC000757146380 617820064 /nfs/dbraw/zinc/82/00/64/617820064.db2.gz STWXEGHLILGEQD-SNVBAGLBSA-N 0 0 256.143 2.873 10 10 CFCERN CCc1nc(C)cc(NCCc2ccc(N)cc2)n1 ZINC000261629201 618118638 /nfs/dbraw/zinc/11/86/38/618118638.db2.gz VPTMQHSVNMOCIM-UHFFFAOYSA-N 0 0 256.353 2.584 10 10 CFCERN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000178103926 618624106 /nfs/dbraw/zinc/62/41/06/618624106.db2.gz WYJIKXNEVCPFDS-CJNGLKHVSA-N 0 0 290.407 2.717 10 10 CFCERN C[C@@H](O)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000309976162 618916321 /nfs/dbraw/zinc/91/63/21/618916321.db2.gz SXOOYHSWCUAQOU-NKWVEPMBSA-N 0 0 264.152 2.558 10 10 CFCERN C[C@@H](CC(F)(F)F)[NH2+]Cc1cccc(F)c1[O-] ZINC000231901521 623375886 /nfs/dbraw/zinc/37/58/86/623375886.db2.gz SEODSVSSTMAESD-ZETCQYMHSA-N 0 0 251.223 2.962 10 10 CFCERN CC(C)[C@@H](C)NC(=O)NCCCSc1nccs1 ZINC000151634880 623545083 /nfs/dbraw/zinc/54/50/83/623545083.db2.gz PUMLZKGBPDFMOW-SNVBAGLBSA-N 0 0 287.454 2.969 10 10 CFCERN CC(=O)N1N=C(c2ccccc2C)O[C@H]1c1ccccc1O ZINC000064567370 624949965 /nfs/dbraw/zinc/94/99/65/624949965.db2.gz YJLVDSSQSIEYCZ-KRWDZBQOSA-N 0 0 296.326 2.940 10 10 CFCERN CCOc1cccc(CN[C@H](C)c2ncc(C)o2)c1O ZINC000227555713 625945438 /nfs/dbraw/zinc/94/54/38/625945438.db2.gz BIAUICDUIDBJST-LLVKDONJSA-N 0 0 276.336 2.938 10 10 CFCERN C[C@H](NC(=O)c1cccc(O)c1O)c1ccc(F)c(F)c1 ZINC000186758676 626398550 /nfs/dbraw/zinc/39/85/50/626398550.db2.gz MJCRNBYQDMDFTM-QMMMGPOBSA-N 0 0 293.269 2.867 10 10 CFCERN COc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c(O)cc1C ZINC000159879201 650282770 /nfs/dbraw/zinc/28/27/70/650282770.db2.gz GFZGDYMETHBPBX-HOCLYGCPSA-N 0 0 291.391 2.853 10 10 CFCERN COc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c(O)cc1C ZINC000159879346 650282946 /nfs/dbraw/zinc/28/29/46/650282946.db2.gz GFZGDYMETHBPBX-GOEBONIOSA-N 0 0 291.391 2.853 10 10 CFCERN O=S(=O)(/C=C/c1ccccc1)Nc1ccc(O)cc1 ZINC000192717974 650588880 /nfs/dbraw/zinc/58/88/80/650588880.db2.gz GGHVBZQYNLDELN-ZHACJKMWSA-N 0 0 275.329 2.805 10 10 CFCERN COC[C@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000023722384 644536396 /nfs/dbraw/zinc/53/63/96/644536396.db2.gz ZNWYJRABGAAKEH-LBPRGKRZSA-N 0 0 286.375 2.859 10 10 CFCERN Oc1ccc(C2=NN[C@H](c3ccccc3F)C2)cc1 ZINC000038212482 346337748 /nfs/dbraw/zinc/33/77/48/346337748.db2.gz WYFWROYIZOUQFN-HNNXBMFYSA-N 0 0 256.280 2.970 10 10 CFCERN O=C(c1ccccc1)N1CCc2cccc(O)c2C1 ZINC000146982404 347946385 /nfs/dbraw/zinc/94/63/85/347946385.db2.gz DMVZYNCONKUBBB-UHFFFAOYSA-N 0 0 253.301 2.591 10 10 CFCERN O=C1CSC(=S)N1c1ccc2ncsc2c1 ZINC000584629859 348695276 /nfs/dbraw/zinc/69/52/76/348695276.db2.gz ZMZFRAXAZIOIJZ-UHFFFAOYSA-N 0 0 266.372 2.661 10 10 CFCERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000090225475 375005992 /nfs/dbraw/zinc/00/59/92/375005992.db2.gz JZMXANLFLNSRSG-BLLLJJGKSA-N 0 0 299.422 2.838 10 10 CFCERN COc1cccc(CN(C)[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000131523973 377723233 /nfs/dbraw/zinc/72/32/33/377723233.db2.gz OZLNTHDQZIPZBI-LLVKDONJSA-N 0 0 295.379 2.563 10 10 CFCERN Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccccc3O)C2)no1 ZINC000179570398 380558639 /nfs/dbraw/zinc/55/86/39/380558639.db2.gz GJZNRHOKMVGHNM-ZDUSSCGKSA-N 0 0 287.363 2.538 10 10 CFCERN Cc1cccc(CN2CCO[C@@H](c3nccs3)C2)c1O ZINC000180007650 380609382 /nfs/dbraw/zinc/60/93/82/380609382.db2.gz LHANSDRMNWSMBQ-CYBMUJFWSA-N 0 0 290.388 2.731 10 10 CFCERN C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(F)c2[O-])C[C@H](C)O1 ZINC000281244277 385186213 /nfs/dbraw/zinc/18/62/13/385186213.db2.gz MCKVHMULDOYPMY-ZSBIGDGJSA-N 0 0 267.344 2.825 10 10 CFCERN C=CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000036334541 134820181 /nfs/dbraw/zinc/82/01/81/134820181.db2.gz SDOFJVLQCXELLF-UHFFFAOYSA-N 0 0 258.365 2.821 10 10 CFCERN O=C1c2nc(-c3ccc[nH]3)sc2C(=O)c2ccccc21 ZINC000005517354 170107070 /nfs/dbraw/zinc/10/70/70/170107070.db2.gz WMOVYMNVOWZNQD-UHFFFAOYSA-N 0 0 280.308 2.914 10 10 CFCERN CCNc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC000005520556 170107446 /nfs/dbraw/zinc/10/74/46/170107446.db2.gz BBTZKJXUAMPISY-UHFFFAOYSA-N 0 0 267.284 2.599 10 10 CFCERN CC(=O)Nc1ccc(NCc2ccc(O)cc2O)cc1 ZINC000019885820 170909635 /nfs/dbraw/zinc/90/96/35/170909635.db2.gz ZYGVSEWBBMFNCE-UHFFFAOYSA-N 0 0 272.304 2.668 10 10 CFCERN Cc1ccc(S(=O)(=O)Nc2ccc(N)cc2)cc1C ZINC000020432210 171196623 /nfs/dbraw/zinc/19/66/23/171196623.db2.gz OEVGFLRHKKMPNI-UHFFFAOYSA-N 0 0 276.361 2.686 10 10 CFCERN COc1ccc(NC(=O)Nc2ccc(N)cc2)c(OC)c1 ZINC000035407623 172178380 /nfs/dbraw/zinc/17/83/80/172178380.db2.gz CHGOCCRDNMTDQO-UHFFFAOYSA-N 0 0 287.319 2.930 10 10 CFCERN CC[C@H](C)CN(C)c1cc2c(cc1N)OCCO2 ZINC000037172815 173006670 /nfs/dbraw/zinc/00/66/70/173006670.db2.gz OKACPKZZHFXLMG-JTQLQIEISA-N 0 0 250.342 2.522 10 10 CFCERN C[C@H]1C[C@H](C)CN(C(=O)CCc2ccc(N)cc2)C1 ZINC000037222644 173043015 /nfs/dbraw/zinc/04/30/15/173043015.db2.gz QZFOTFMHGKJIQZ-STQMWFEESA-N 0 0 260.381 2.706 10 10 CFCERN CN(Cc1ccccc1F)C(=O)CCc1ccc(N)cc1 ZINC000038051710 174063339 /nfs/dbraw/zinc/06/33/39/174063339.db2.gz OVGSWGBGAUDLPP-UHFFFAOYSA-N 0 0 286.350 2.999 10 10 CFCERN CCN(C(=O)COc1ccc(N)cc1)C1=CCCC1 ZINC000038055518 174067007 /nfs/dbraw/zinc/06/70/07/174067007.db2.gz GAEMRKKRAUAZSN-UHFFFAOYSA-N 0 0 260.337 2.564 10 10 CFCERN Cc1ccc2nc(COc3ccc(N)cc3)cn2c1 ZINC000038055549 174067133 /nfs/dbraw/zinc/06/71/33/174067133.db2.gz JVFFITYEHGWIGK-UHFFFAOYSA-N 0 0 253.305 2.804 10 10 CFCERN Nc1ccc(OCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000038055855 174067187 /nfs/dbraw/zinc/06/71/87/174067187.db2.gz FVQNXRZXJRECQT-UHFFFAOYSA-N 0 0 258.277 2.799 10 10 CFCERN Cc1oncc1C(=O)N(C)[C@H](C)c1ccccc1O ZINC000038089401 174102720 /nfs/dbraw/zinc/10/27/20/174102720.db2.gz FWBSRFNJNJFECG-SECBINFHSA-N 0 0 260.293 2.522 10 10 CFCERN Oc1ccc(CNc2cccc(F)c2F)cc1O ZINC000040229906 174209478 /nfs/dbraw/zinc/20/94/78/174209478.db2.gz NCYKGCOEXVMUAB-UHFFFAOYSA-N 0 0 251.232 2.988 10 10 CFCERN COc1cccc(NCCOc2ccc(N)cc2)c1 ZINC000041342091 174526190 /nfs/dbraw/zinc/52/61/90/174526190.db2.gz CBUYKKHBJIXEEH-UHFFFAOYSA-N 0 0 258.321 2.768 10 10 CFCERN O=c1ccc2c(O)cc(-c3ccc(F)cc3)[nH]c-2c1O ZINC000072110008 176317896 /nfs/dbraw/zinc/31/78/96/176317896.db2.gz JEQXJPFSJZJMHP-UHFFFAOYSA-N 0 0 271.247 2.745 10 10 CFCERN COC[C@@H]1CCCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000368658429 267195123 /nfs/dbraw/zinc/19/51/23/267195123.db2.gz IVLUBSZTRSGTHI-GFCCVEGCSA-N 0 0 267.344 2.780 10 10 CFCERN CCc1ccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1 ZINC000041078296 281389277 /nfs/dbraw/zinc/38/92/77/281389277.db2.gz UIWRYEQZXLIKEL-YEIVOSTPSA-N 0 0 281.315 2.699 10 10 CFCERN CN(C)c1ccc(C[NH2+]Cc2cccc(F)c2[O-])cc1 ZINC000164938893 522208801 /nfs/dbraw/zinc/20/88/01/522208801.db2.gz KFOAVAULWUVTHO-UHFFFAOYSA-N 0 0 274.339 2.887 10 10 CFCERN C[C@H]1CN(c2ccc(OC(F)F)cc2)CCC1=O ZINC000049693689 524671850 /nfs/dbraw/zinc/67/18/50/524671850.db2.gz ZCTWBGWGGAWWFN-VIFPVBQESA-N 0 0 255.264 2.703 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]C[C@H]1CCCCS1 ZINC000158813983 618198525 /nfs/dbraw/zinc/19/85/25/618198525.db2.gz CGOOIMUWCMZMFT-LLVKDONJSA-N 0 0 255.358 2.907 10 10 CFCERN CN(C)C(=O)c1ccc(NCc2cccc(F)c2O)cc1 ZINC000164956711 622976473 /nfs/dbraw/zinc/97/64/73/622976473.db2.gz DUMOUMDIYOCFEO-UHFFFAOYSA-N 0 0 288.322 2.845 10 10 CFCERN Cc1cnc([C@@H](C)NCc2ccc(N(C)C)cc2)o1 ZINC000227555562 623113465 /nfs/dbraw/zinc/11/34/65/623113465.db2.gz LLZCVZZCXFLBLB-GFCCVEGCSA-N 0 0 259.353 2.900 10 10 CFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000075978538 625210506 /nfs/dbraw/zinc/21/05/06/625210506.db2.gz KEXJHQJESYUWIY-WFASDCNBSA-N 0 0 275.396 2.740 10 10 CFCERN N#[N+]CC(=O)c1ccnc2c3ccc(Cl)cc3ncc12 ZINC000584603536 348686520 /nfs/dbraw/zinc/68/65/20/348686520.db2.gz AOEXNFLUKUIMLZ-UHFFFAOYSA-N 0 0 282.690 2.920 10 10 CFCERN CC1=NN[C@H](c2cc(Br)ccc2O)C1 ZINC000584635462 348697963 /nfs/dbraw/zinc/69/79/63/348697963.db2.gz CTQOKZIASHJHKL-VIFPVBQESA-N 0 0 255.115 2.565 10 10 CFCERN Oc1ccccc1C1=NN[C@@H](c2ccc3c(c2)OCCO3)C1 ZINC000001504626 371680012 /nfs/dbraw/zinc/68/00/12/371680012.db2.gz JWUCYCKGRWIJSK-CYBMUJFWSA-N 0 0 296.326 2.602 10 10 CFCERN Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)CC2 ZINC000014805987 372074444 /nfs/dbraw/zinc/07/44/44/372074444.db2.gz CGMAURJQFORKCX-AWEZNQCLSA-N 0 0 258.273 2.870 10 10 CFCERN C[C@@H]([NH2+]CCO)c1ccc(N2CCC[C@H](C)C2)c(F)c1 ZINC000020569993 372240152 /nfs/dbraw/zinc/24/01/52/372240152.db2.gz WIARLQSLBTVGFI-QWHCGFSZSA-N 0 0 280.387 2.705 10 10 CFCERN COc1c(C)cnc(COc2ccc(N)cc2)c1C ZINC000019844386 372197440 /nfs/dbraw/zinc/19/74/40/372197440.db2.gz KBIUZMGJOOMGSY-UHFFFAOYSA-N 0 0 258.321 2.868 10 10 CFCERN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)nn1C ZINC000035679238 291631047 /nfs/dbraw/zinc/63/10/47/291631047.db2.gz LQCVWCPUWGHKFZ-XNTDXEJSSA-N 0 0 280.331 2.535 10 10 CFCERN CC(C)[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000125026072 377110286 /nfs/dbraw/zinc/11/02/86/377110286.db2.gz DFYWPKNRZXTTSQ-AWEZNQCLSA-N 0 0 287.407 2.907 10 10 CFCERN COc1cc(Cl)cc(CN2C[C@H](C)O[C@@H](C)C2)c1O ZINC000184670396 381458864 /nfs/dbraw/zinc/45/88/64/381458864.db2.gz SJXKUUWZJCATTR-UWVGGRQHSA-N 0 0 285.771 2.663 10 10 CFCERN [NH3+][C@@H](CF)c1cc(Cl)cc(Br)c1[O-] ZINC000307277719 382465460 /nfs/dbraw/zinc/46/54/60/382465460.db2.gz SGNLAIUUTJDYFH-ZETCQYMHSA-N 0 0 268.513 2.777 10 10 CFCERN C[C@@H](O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1 ZINC000226273956 382826082 /nfs/dbraw/zinc/82/60/82/382826082.db2.gz JZSNGUCAPXJHEH-LLVKDONJSA-N 0 0 270.332 2.503 10 10 CFCERN CCN1CCN(C(=O)Cc2ccc(N)cc2)c2ccccc21 ZINC000262660894 383634413 /nfs/dbraw/zinc/63/44/13/383634413.db2.gz FYFTVHAIPIYSPS-UHFFFAOYSA-N 0 0 295.386 2.684 10 10 CFCERN CCC[C@H]1CN(Cc2cccc(F)c2O)CCO1 ZINC000272337635 385513175 /nfs/dbraw/zinc/51/31/75/385513175.db2.gz XYCDWRLTKMLOSZ-LBPRGKRZSA-N 0 0 253.317 2.532 10 10 CFCERN CC(C)[C@H](O)[C@@H](c1ccccc1O)n1nnc2ccccc21 ZINC000005284901 170082764 /nfs/dbraw/zinc/08/27/64/170082764.db2.gz TWJYVVJVVMDKFI-SJORKVTESA-N 0 0 297.358 2.743 10 10 CFCERN O=C1C[C@@H](c2ccccc2O)Nc2ccccc2N1 ZINC000005799742 170141645 /nfs/dbraw/zinc/14/16/45/170141645.db2.gz RULWLMMARPDSQB-ZDUSSCGKSA-N 0 0 254.289 2.888 10 10 CFCERN O=C(NCc1ccccc1)c1cc2cc(O)c(O)cc2cn1 ZINC000006575042 170214804 /nfs/dbraw/zinc/21/48/04/170214804.db2.gz CYMDDJODSVMYBQ-UHFFFAOYSA-N 0 0 294.310 2.576 10 10 CFCERN Nc1ccc(CC(=O)Nc2cccc3ncccc32)cc1 ZINC000019267928 170765458 /nfs/dbraw/zinc/76/54/58/170765458.db2.gz IIKMUXHQKDWLMT-UHFFFAOYSA-N 0 0 277.327 2.998 10 10 CFCERN COc1cccc(OC)c1C(=O)Nc1ccc(N)cc1 ZINC000019397595 170783535 /nfs/dbraw/zinc/78/35/35/170783535.db2.gz CHWVSGAXSZBITM-UHFFFAOYSA-N 0 0 272.304 2.538 10 10 CFCERN CC(=O)Nc1cccc(NC(=O)CCc2ccc(N)cc2)c1 ZINC000020186797 171051159 /nfs/dbraw/zinc/05/11/59/171051159.db2.gz FUBWSSAUHZNGRL-UHFFFAOYSA-N 0 0 297.358 2.799 10 10 CFCERN Cc1nn(C)c(Cl)c1COc1ccc(N)cc1 ZINC000038055573 174066739 /nfs/dbraw/zinc/06/67/39/174066739.db2.gz FJYWOASVDRFENW-UHFFFAOYSA-N 0 0 251.717 2.543 10 10 CFCERN Cc1cccn2cc(COc3ccc(N)cc3)nc12 ZINC000038055550 174067135 /nfs/dbraw/zinc/06/71/35/174067135.db2.gz MFAFWLSCFQDVFP-UHFFFAOYSA-N 0 0 253.305 2.804 10 10 CFCERN COC(=O)c1cc(COc2ccc(N)cc2)oc1C ZINC000038055662 174067176 /nfs/dbraw/zinc/06/71/76/174067176.db2.gz RKYKMJZAULGOIJ-UHFFFAOYSA-N 0 0 261.277 2.536 10 10 CFCERN CSCCC(=O)N(C)[C@H](C)c1ccccc1O ZINC000038089687 174103188 /nfs/dbraw/zinc/10/31/88/174103188.db2.gz OTGMCZAGQJMREQ-SNVBAGLBSA-N 0 0 253.367 2.665 10 10 CFCERN C[C@@H](c1ccccc1O)N(C)C(=O)c1cccn1C ZINC000038089654 174103246 /nfs/dbraw/zinc/10/32/46/174103246.db2.gz WTFJPVKUWPSQCY-NSHDSACASA-N 0 0 258.321 2.564 10 10 CFCERN CCc1ccc([C@H](O)COc2ccc(N)cc2)cc1 ZINC000040352086 174245114 /nfs/dbraw/zinc/24/51/14/174245114.db2.gz CCGKUMLQMGMRGI-MRXNPFEDSA-N 0 0 257.333 2.944 10 10 CFCERN CC1=CC2=NC(=O)/C(=C/c3ccc(Cl)cc3)C(=N)N2O1 ZINC000041078293 276178165 /nfs/dbraw/zinc/17/81/65/276178165.db2.gz UYORVJQNFOXMHO-ZQJZDCJSSA-N 0 0 287.706 2.790 10 10 CFCERN O=C1C[C@H](c2ccc(O)c(O)c2)Nc2ccccc21 ZINC000504823515 330190349 /nfs/dbraw/zinc/19/03/49/330190349.db2.gz JTSZDGDXZORZCB-GFCCVEGCSA-N 0 0 255.273 2.837 10 10 CFCERN COCCn1cc(N[C@@H](C)c2cc(F)ccc2O)cn1 ZINC000094617437 522109993 /nfs/dbraw/zinc/10/99/93/522109993.db2.gz QUZAAHDSGYQTBC-JTQLQIEISA-N 0 0 279.315 2.547 10 10 CFCERN COCc1cccc(C[NH2+]Cc2cccc(F)c2[O-])c1 ZINC000165030546 523052846 /nfs/dbraw/zinc/05/28/46/523052846.db2.gz FVUFABKPTMDQJI-UHFFFAOYSA-N 0 0 275.323 2.968 10 10 CFCERN NC(=O)c1c(Cl)cccc1NCc1ccc(N)cc1 ZINC000052906450 527018737 /nfs/dbraw/zinc/01/87/37/527018737.db2.gz HQELHTLFTBNHQV-UHFFFAOYSA-N 0 0 275.739 2.633 10 10 CFCERN COc1cc(CCc2ccccc2)c(O)c(O)c1OC ZINC000014652425 560100381 /nfs/dbraw/zinc/10/03/81/560100381.db2.gz CWSITSYPUXRHCS-UHFFFAOYSA-N 0 0 274.316 2.900 10 10 endogenous,in-man CFCERN CCN(CC)c1ccc(CNC(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000178103913 618624120 /nfs/dbraw/zinc/62/41/20/618624120.db2.gz WYJIKXNEVCPFDS-XJKSGUPXSA-N 0 0 290.407 2.717 10 10 CFCERN CC(C)[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000055070888 622933175 /nfs/dbraw/zinc/93/31/75/622933175.db2.gz LDAAREYWKOMGQG-CYBMUJFWSA-N 0 0 277.412 2.939 10 10 CFCERN CC(=O)N1N=C(c2ccccc2C)O[C@@H]1c1ccccc1O ZINC000064567371 624949802 /nfs/dbraw/zinc/94/98/02/624949802.db2.gz YJLVDSSQSIEYCZ-QGZVFWFLSA-N 0 0 296.326 2.940 10 10 CFCERN CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000159697677 650273066 /nfs/dbraw/zinc/27/30/66/650273066.db2.gz AUWPNYANEUDCAG-IUODEOHRSA-N 0 0 277.364 2.698 10 10 CFCERN CN(C)c1cccc(NC(=O)c2cccc(F)c2N)c1 ZINC000082698866 178199825 /nfs/dbraw/zinc/19/98/25/178199825.db2.gz QRVBSXJASQNEMJ-UHFFFAOYSA-N 0 0 273.311 2.726 10 10 CFCERN C[C@@H]1C[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000052275726 346518300 /nfs/dbraw/zinc/51/83/00/346518300.db2.gz XEVJSIZXRADBQE-XCBNKYQSSA-N 0 0 256.143 2.653 10 10 CFCERN COC(=O)CCc1ccc(OCc2ccc(N)cc2)cc1 ZINC000059755995 346657919 /nfs/dbraw/zinc/65/79/19/346657919.db2.gz FJIFAUGCQSBBID-UHFFFAOYSA-N 0 0 285.343 2.953 10 10 CFCERN CC(C)(C)OC(=O)NCC[C@H]1CNc2ccccc2N1 ZINC000616679346 352410006 /nfs/dbraw/zinc/41/00/06/352410006.db2.gz FGVMVQLROUWOSA-NSHDSACASA-N 0 0 277.368 2.807 10 10 CFCERN CN1C(=O)C(=CNc2ccc(F)cc2)SC1=S ZINC000618254917 352740166 /nfs/dbraw/zinc/74/01/66/352740166.db2.gz KCEBDAGWBVISQF-TWGQIWQCSA-N 0 0 268.338 2.569 10 10 CFCERN C[C@H]([NH2+]CCO)c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000020572058 372240365 /nfs/dbraw/zinc/24/03/65/372240365.db2.gz JPNTZEBEGONSIR-ZDUSSCGKSA-N 0 0 280.387 2.705 10 10 CFCERN Cc1c(/C=C2\C(=O)N(c3ccccc3)N=C2C)cnn1C ZINC000035678262 372549957 /nfs/dbraw/zinc/54/99/57/372549957.db2.gz JQCBKEXSQGVFOQ-DHDCSXOGSA-N 0 0 280.331 2.535 10 10 CFCERN COc1cc2c(c(O)c1)CN(Cc1ccccc1)C2=O ZINC000035823296 372552015 /nfs/dbraw/zinc/55/20/15/372552015.db2.gz VCINMRLYVIDGCL-UHFFFAOYSA-N 0 0 269.300 2.557 10 10 CFCERN CCN(CC)c1ccc(CNC(=O)[C@H](C)COC)cc1F ZINC000108996625 375820030 /nfs/dbraw/zinc/82/00/30/375820030.db2.gz FUIQCUYYEWLVGE-GFCCVEGCSA-N 0 0 296.386 2.571 10 10 CFCERN CC(C)N1C(=O)[C@@H](c2ccccc2)SC1=S ZINC000169401160 379106964 /nfs/dbraw/zinc/10/69/64/379106964.db2.gz ZPKATSVVBMJASI-SNVBAGLBSA-N 0 0 251.376 2.996 10 10 CFCERN [NH3+]Cc1c([O-])c(C(F)(F)F)ccc1C(F)(F)F ZINC000575381861 382762972 /nfs/dbraw/zinc/76/29/72/382762972.db2.gz YZUPNUCLGLYKMR-UHFFFAOYSA-N 0 0 259.149 2.889 10 10 CFCERN Oc1cc(Br)c(OC(F)(F)F)cc1O ZINC000575684808 382787584 /nfs/dbraw/zinc/78/75/84/382787584.db2.gz CERIBHAITIGPQX-UHFFFAOYSA-N 0 0 273.004 2.759 10 10 CFCERN COc1cccc([C@H]2CC(c3cccs3)=NN2)c1O ZINC000006762342 170241649 /nfs/dbraw/zinc/24/16/49/170241649.db2.gz ZBVXJMUVVGGRFW-SNVBAGLBSA-N 0 0 274.345 2.901 10 10 CFCERN O=C1N=C(N2CCCC2)S/C1=C/c1ccc(F)cc1 ZINC000020289270 171133553 /nfs/dbraw/zinc/13/35/53/171133553.db2.gz NLRYUVCHOLEKDP-FMIVXFBMSA-N 0 0 276.336 2.892 10 10 CFCERN Cc1cccc(C(=O)N(C)c2ccc(N)cc2)c1O ZINC000020373810 171169308 /nfs/dbraw/zinc/16/93/08/171169308.db2.gz DFEGTRYUGWRXRM-UHFFFAOYSA-N 0 0 256.305 2.559 10 10 CFCERN C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCc2ccccc21 ZINC000022167417 171366056 /nfs/dbraw/zinc/36/60/56/171366056.db2.gz CWXUQZDLMDZGBZ-LBPRGKRZSA-N 0 0 281.359 2.659 10 10 CFCERN C[C@@H](NC(=O)COc1ccc(N)cc1)c1cccs1 ZINC000038055391 174066824 /nfs/dbraw/zinc/06/68/24/174066824.db2.gz KIZRYEGPJWZGQH-SNVBAGLBSA-N 0 0 276.361 2.587 10 10 CFCERN COc1ccc(Oc2ccc(N)cc2)c([N+](=O)[O-])c1 ZINC000038056398 174067632 /nfs/dbraw/zinc/06/76/32/174067632.db2.gz DBWAZNFTXZJUJQ-UHFFFAOYSA-N 0 0 260.249 2.978 10 10 CFCERN Cc1csc(CN[C@@H](C)c2cc(O)ccc2O)n1 ZINC000038090661 174104094 /nfs/dbraw/zinc/10/40/94/174104094.db2.gz FXRCJLAKGQUQRL-VIFPVBQESA-N 0 0 264.350 2.714 10 10 CFCERN CCN(CC)c1ccc(CNC(=O)[C@@H](C)COC)cc1F ZINC000108996623 520900054 /nfs/dbraw/zinc/90/00/54/520900054.db2.gz FUIQCUYYEWLVGE-LBPRGKRZSA-N 0 0 296.386 2.571 10 10 CFCERN COCCn1cc(N[C@@H](C)c2ccc(C)cc2O)cn1 ZINC000037090274 522109468 /nfs/dbraw/zinc/10/94/68/522109468.db2.gz UGYBGBBLUZLOBJ-LBPRGKRZSA-N 0 0 275.352 2.717 10 10 CFCERN CC[C@H](Nc1cnn(CCOC)c1)c1ccccc1O ZINC000037090473 522778906 /nfs/dbraw/zinc/77/89/06/522778906.db2.gz YXVXPFPSAAXCAK-AWEZNQCLSA-N 0 0 275.352 2.798 10 10 CFCERN Cc1cccc(CNCC(F)(F)C(F)F)c1O ZINC000191765580 524430828 /nfs/dbraw/zinc/43/08/28/524430828.db2.gz RLVGRCOCUKVQDK-UHFFFAOYSA-N 0 0 251.223 2.691 10 10 CFCERN C[C@@H](C[NH2+]Cc1cccc(F)c1[O-])c1nccs1 ZINC000230694709 524744468 /nfs/dbraw/zinc/74/44/68/524744468.db2.gz UDIGMWJEKDJWOF-VIFPVBQESA-N 0 0 266.341 2.881 10 10 CFCERN Cc1ccc(F)cc1C(=O)N(C)c1ccc(N)cc1 ZINC000062664331 524839751 /nfs/dbraw/zinc/83/97/51/524839751.db2.gz BOWDQFKPJSJRLM-UHFFFAOYSA-N 0 0 258.296 2.993 10 10 CFCERN C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000246219315 525525298 /nfs/dbraw/zinc/52/52/98/525525298.db2.gz PYQYBLXEBAPVEZ-PKFCDNJMSA-N 0 0 253.317 2.749 10 10 CFCERN COC(=O)c1cccc(NCc2cccc(F)c2O)c1 ZINC000164943386 622976844 /nfs/dbraw/zinc/97/68/44/622976844.db2.gz XBVRFXJRSQKMJH-UHFFFAOYSA-N 0 0 275.279 2.930 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]Cc1cccc2c1OCO2 ZINC000165033042 622979581 /nfs/dbraw/zinc/97/95/81/622979581.db2.gz NLRYEONSNMNTNO-UHFFFAOYSA-N 0 0 275.279 2.550 10 10 CFCERN Cc1cnc([C@H](C)NCc2cccc(F)c2O)o1 ZINC000231530693 623355288 /nfs/dbraw/zinc/35/52/88/623355288.db2.gz KMJKGFXVQJDBJF-VIFPVBQESA-N 0 0 250.273 2.679 10 10 CFCERN COc1ccccc1[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000040310398 649983822 /nfs/dbraw/zinc/98/38/22/649983822.db2.gz NWQVGFGGYAMTQG-LBPRGKRZSA-N 0 0 284.359 2.697 10 10 CFCERN CCN1CCC[C@@H]1C[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000124597568 642272049 /nfs/dbraw/zinc/27/20/49/642272049.db2.gz NUFJNUDVXURZRG-CYBMUJFWSA-N 0 0 282.815 2.962 10 10 CFCERN CN(Cc1ccccc1O)C(=O)N[C@H]1COc2ccccc21 ZINC000195196691 650741073 /nfs/dbraw/zinc/74/10/73/650741073.db2.gz MVKVUEVUDJSPIH-AWEZNQCLSA-N 0 0 298.342 2.667 10 10 CFCERN Cc1ccccc1[C@H](C)NC(=O)c1cccc(O)c1O ZINC000126313498 643115834 /nfs/dbraw/zinc/11/58/34/643115834.db2.gz ADNFWCDDIOBYNG-NSHDSACASA-N 0 0 271.316 2.897 10 10 CFCERN COc1cccc(CNc2ccc(SC)nn2)c1O ZINC000091479417 347589379 /nfs/dbraw/zinc/58/93/79/347589379.db2.gz FBNSOESNWWBLQC-UHFFFAOYSA-N 0 0 277.349 2.525 10 10 CFCERN [O-]c1c(Br)cc(Cl)cc1[C@@H]1CC[NH2+]1 ZINC000238710188 348248639 /nfs/dbraw/zinc/24/86/39/348248639.db2.gz DAADPWYCSMQZSD-QMMMGPOBSA-N 0 0 262.534 2.843 10 10 CFCERN CN(Cc1ccccc1)N=Nc1ccc(C(N)=O)cc1 ZINC000256159636 348306074 /nfs/dbraw/zinc/30/60/74/348306074.db2.gz MLOMFNIJYZFUBS-UHFFFAOYSA-N 0 0 268.320 2.916 10 10 CFCERN Nc1ccc(Nc2cnn(Cc3ccccc3)c2)nc1 ZINC000307366618 348398762 /nfs/dbraw/zinc/39/87/62/348398762.db2.gz NPOJHKVLEWJLHS-UHFFFAOYSA-N 0 0 265.320 2.652 10 10 CFCERN Brc1ccccc1/N=N/N1CCOCC1 ZINC000584609800 348688598 /nfs/dbraw/zinc/68/85/98/348688598.db2.gz WOESBDISDOLZIS-OUKQBFOZSA-N 0 0 270.130 2.780 10 10 CFCERN CC1(C)OC(c2ccccc2)(c2ccccc2)C(=O)C1=O ZINC000584630638 348695100 /nfs/dbraw/zinc/69/51/00/348695100.db2.gz GSQOJNBNTMVFCM-UHFFFAOYSA-N 0 0 280.323 2.877 10 10 CFCERN CN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 ZINC000001561184 371681469 /nfs/dbraw/zinc/68/14/69/371681469.db2.gz QNBCPLWFVGLFHO-CYBMUJFWSA-N 0 0 283.327 2.556 10 10 CFCERN Nc1ccc(Nc2nccc(-c3cccnc3)n2)cc1 ZINC000026644848 372327978 /nfs/dbraw/zinc/32/79/78/372327978.db2.gz PIBQBVVEKOXUHV-UHFFFAOYSA-N 0 0 263.304 2.864 10 10 CFCERN Cc1ccc(O)c(/C=C2\SC(=S)N(C)C2=O)c1 ZINC000033317145 372490558 /nfs/dbraw/zinc/49/05/58/372490558.db2.gz RCFRVMIOWBCMBF-POHAHGRESA-N 0 0 265.359 2.532 10 10 CFCERN CCN(C)c1ccc([C@@H](C)[NH2+]CCn2cc(C)cn2)cc1 ZINC000124096267 377016315 /nfs/dbraw/zinc/01/63/15/377016315.db2.gz HZGMOJRBYNVOFG-OAHLLOKOSA-N 0 0 286.423 2.998 10 10 CFCERN O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000182550288 381111970 /nfs/dbraw/zinc/11/19/70/381111970.db2.gz MCCKGEFFQBKGHH-UONOGXRCSA-N 0 0 289.375 2.930 10 10 CFCERN Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186096426 381822943 /nfs/dbraw/zinc/82/29/43/381822943.db2.gz SRGPXHHMTRUNDK-TVQRCGJNSA-N 0 0 290.342 2.617 10 10 CFCERN Nc1ccc(N2CCC[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000584649135 383113596 /nfs/dbraw/zinc/11/35/96/383113596.db2.gz WHCMLYICVMMZML-GOSISDBHSA-N 0 0 293.370 2.759 10 10 CFCERN CN(C)c1ccc(OC(F)(F)F)cc1OCF ZINC000514259225 383154097 /nfs/dbraw/zinc/15/40/97/383154097.db2.gz DVAZOXRPSSNUEQ-UHFFFAOYSA-N 0 0 253.195 2.957 10 10 CFCERN CC[C@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@H](C)O1 ZINC000272301747 385504438 /nfs/dbraw/zinc/50/44/38/385504438.db2.gz PWDNYBWNGXHGNG-JQWIXIFHSA-N 0 0 253.317 2.531 10 10 CFCERN CC(C)c1nc2c(n1C)CCN(Cc1ccccc1O)C2 ZINC000179572948 393467993 /nfs/dbraw/zinc/46/79/93/393467993.db2.gz FIKBCGVZSFSOGA-UHFFFAOYSA-N 0 0 285.391 2.807 10 10 CFCERN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(N)cc2)C1 ZINC000071257556 393639807 /nfs/dbraw/zinc/63/98/07/393639807.db2.gz LYKGTELGNPCUQI-CYBMUJFWSA-N 0 0 291.395 2.762 10 10 CFCERN CC(C)[C@H](O)[C@H](c1ccccc1O)n1nnc2ccccc21 ZINC000005284907 170082894 /nfs/dbraw/zinc/08/28/94/170082894.db2.gz TWJYVVJVVMDKFI-IRXDYDNUSA-N 0 0 297.358 2.743 10 10 CFCERN CCCc1ccc2c(c1O)C(=O)c1c(O)cccc1C2=O ZINC000013454733 170551317 /nfs/dbraw/zinc/55/13/17/170551317.db2.gz ASGZSJBCACSXRC-UHFFFAOYSA-N 0 0 282.295 2.826 10 10 CFCERN COc1ccc(N[C@H](C)c2cc(O)ccc2O)cn1 ZINC000019877817 170906511 /nfs/dbraw/zinc/90/65/11/170906511.db2.gz ZFSCRMHDWHAROP-SECBINFHSA-N 0 0 260.293 2.675 10 10 CFCERN Oc1ccc(CNc2ccc3c(c2)OCCCO3)cc1O ZINC000019906095 170918146 /nfs/dbraw/zinc/91/81/46/170918146.db2.gz ZJKGPFYNHXOZGZ-UHFFFAOYSA-N 0 0 287.315 2.871 10 10 CFCERN CNC(=O)c1cccc(N[C@H](C)c2ccccc2O)c1 ZINC000020124633 171007199 /nfs/dbraw/zinc/00/71/99/171007199.db2.gz HCRILTYUOVTZEW-LLVKDONJSA-N 0 0 270.332 2.925 10 10 CFCERN Cc1nn(C)c(C)c1N[C@H](C)c1ccc(O)cc1O ZINC000020135008 171022852 /nfs/dbraw/zinc/02/28/52/171022852.db2.gz ZGHLJQWMYWEXHD-MRVPVSSYSA-N 0 0 261.325 2.621 10 10 CFCERN Cc1ccccc1CC(=O)N(C)c1ccc(N)cc1 ZINC000020373875 171169506 /nfs/dbraw/zinc/16/95/06/171169506.db2.gz OUZSRKQHXMGHTK-UHFFFAOYSA-N 0 0 254.333 2.783 10 10 CFCERN Cc1ccc(C(=O)N(C)c2ccc(N)cc2)c(O)c1 ZINC000020373782 171169686 /nfs/dbraw/zinc/16/96/86/171169686.db2.gz OWPHESLTTPHMLY-UHFFFAOYSA-N 0 0 256.305 2.559 10 10 CFCERN COc1ccc(O)c([C@@H]2CC(c3cccs3)=NN2)c1 ZINC000020390636 171179515 /nfs/dbraw/zinc/17/95/15/171179515.db2.gz YZYCPIPBKTWTEI-NSHDSACASA-N 0 0 274.345 2.901 10 10 CFCERN Nc1ccc(NC(=O)c2cncc(Br)c2)cc1 ZINC000020480817 171221619 /nfs/dbraw/zinc/22/16/19/171221619.db2.gz LSLFMXBDRYZMAL-UHFFFAOYSA-N 0 0 292.136 2.679 10 10 CFCERN Nc1ncccc1OCc1cccc2cccnc21 ZINC000020483644 171223831 /nfs/dbraw/zinc/22/38/31/171223831.db2.gz TWDRFXCVPYWDPT-UHFFFAOYSA-N 0 0 251.289 2.791 10 10 CFCERN Nc1ccc(Nc2ccc3c(c2)OCCCO3)nc1 ZINC000020585017 171258604 /nfs/dbraw/zinc/25/86/04/171258604.db2.gz CUARPTZWQMNJAB-UHFFFAOYSA-N 0 0 257.293 2.569 10 10 CFCERN CCN(CC(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000022212128 171373753 /nfs/dbraw/zinc/37/37/53/171373753.db2.gz PAUFORBSBMAIIS-UHFFFAOYSA-N 0 0 269.348 2.734 10 10 CFCERN CCCN(Cc1ccc(N)cc1)C(=O)CC(F)(F)F ZINC000035364724 172154525 /nfs/dbraw/zinc/15/45/25/172154525.db2.gz PGIZCHNWLFEVIN-UHFFFAOYSA-N 0 0 274.286 2.960 10 10 CFCERN Cc1ncsc1CCOCCc1ccc(N)cc1 ZINC000035677364 172347874 /nfs/dbraw/zinc/34/78/74/172347874.db2.gz HAMFEXFAXVUERJ-UHFFFAOYSA-N 0 0 262.378 2.836 10 10 CFCERN Cc1cc(C(=O)N(C)[C@H](C)c2ccccc2O)no1 ZINC000038089681 174103184 /nfs/dbraw/zinc/10/31/84/174103184.db2.gz OFNCGVDQWSFQGC-SNVBAGLBSA-N 0 0 260.293 2.522 10 10 CFCERN CC(C)Nc1nccc(C(=O)C(=O)c2ccc(F)cc2)n1 ZINC000038880249 174158702 /nfs/dbraw/zinc/15/87/02/174158702.db2.gz XCILLLGEGWZXDS-UHFFFAOYSA-N 0 0 287.294 2.502 10 10 CFCERN CCCS(=O)(=O)Nc1ccc(O)c2ccccc12 ZINC000045929261 175386924 /nfs/dbraw/zinc/38/69/24/175386924.db2.gz BGFIAJLZSPSLJX-UHFFFAOYSA-N 0 0 265.334 2.697 10 10 CFCERN COc1ccccc1-n1c(C)cc(C(=O)n2ccnc2)c1C ZINC000073711965 176487929 /nfs/dbraw/zinc/48/79/29/176487929.db2.gz PLYQQZUJHUQCST-UHFFFAOYSA-N 0 0 295.342 2.988 10 10 CFCERN CC[C@@H](N[C@@H]1CCCn2ncnc21)c1ccc(N(C)C)cc1 ZINC000164722758 276533865 /nfs/dbraw/zinc/53/38/65/276533865.db2.gz DDTCMMUTVGQBOY-HZPDHXFCSA-N 0 0 299.422 2.920 10 10 CFCERN CCn1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)n1 ZINC000035678302 276714298 /nfs/dbraw/zinc/71/42/98/276714298.db2.gz FNZYOVGGEAATAK-YFHOEESVSA-N 0 0 281.406 2.513 10 10 CFCERN C[C@H]1C(=O)c2c(F)c(F)c(F)c(F)c2C(=O)[C@H]1F ZINC000103560917 290317009 /nfs/dbraw/zinc/31/70/09/290317009.db2.gz BXXPRZHLICKJRD-MVHIGOERSA-N 0 0 264.149 2.596 10 10 CFCERN CCNc1snnc1CN(C)c1ccc(OC)cc1 ZINC000050816260 520384376 /nfs/dbraw/zinc/38/43/76/520384376.db2.gz HJDOGRYGEFVOPA-UHFFFAOYSA-N 0 0 278.381 2.615 10 10 CFCERN CCc1cc(NCCc2ccc(N)cc2)nc(C)n1 ZINC000088760604 523822260 /nfs/dbraw/zinc/82/22/60/523822260.db2.gz IWBNJZLVWZZAAY-UHFFFAOYSA-N 0 0 256.353 2.584 10 10 CFCERN C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000273367782 525473612 /nfs/dbraw/zinc/47/36/12/525473612.db2.gz BWKSXAOJEJPYAO-NOZJJQNGSA-N 0 0 255.333 2.589 10 10 CFCERN C[C@H]([NH3+])c1c([O-])c(Br)cc(Cl)c1F ZINC000757146013 617818994 /nfs/dbraw/zinc/81/89/94/617818994.db2.gz REYCTOXGCDUIAK-VKHMYHEASA-N 0 0 268.513 2.967 10 10 CFCERN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)C(C)C)c1 ZINC000103507644 626547518 /nfs/dbraw/zinc/54/75/18/626547518.db2.gz LCEUJBNKSJXMRV-MNOVXSKESA-N 0 0 280.368 2.806 10 10 CFCERN CCN1CCC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000124731225 642309019 /nfs/dbraw/zinc/30/90/19/642309019.db2.gz DYODWUDNQYSYMI-LBPRGKRZSA-N 0 0 268.788 2.620 10 10 CFCERN CC[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000126378959 643186344 /nfs/dbraw/zinc/18/63/44/643186344.db2.gz PMPNILZZOKJLBC-ZDUSSCGKSA-N 0 0 271.316 2.979 10 10 CFCERN O=C1C[C@@H](c2ccccc2)Oc2c(O)c(O)cc(O)c21 ZINC000014807064 346234830 /nfs/dbraw/zinc/23/48/30/346234830.db2.gz DWNSJXRFYCRZQD-LBPRGKRZSA-N 0 0 272.256 2.510 10 10 CFCERN Oc1ccc(C2=NN[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000038212473 346337690 /nfs/dbraw/zinc/33/76/90/346337690.db2.gz XPZGDBGOXFNQLW-CQSZACIVSA-N 0 0 256.280 2.970 10 10 CFCERN Nc1nccc(F)c1OCc1c(F)cccc1F ZINC000143949210 347939252 /nfs/dbraw/zinc/93/92/52/347939252.db2.gz CNKFSUBSMWGPAE-UHFFFAOYSA-N 0 0 254.211 2.660 10 10 CFCERN COc1cc(Cc2ccc(N)cc2)cc(OC)c1OC ZINC000584592983 348682139 /nfs/dbraw/zinc/68/21/39/348682139.db2.gz VGASRNZQNAQIAZ-UHFFFAOYSA-N 0 0 273.332 2.885 10 10 CFCERN Cc1c2cc(F)cc(-c3ccncc3)c2n(C)c1C(N)=O ZINC000584618103 348691476 /nfs/dbraw/zinc/69/14/76/348691476.db2.gz ACCHEPKGDYUTIQ-UHFFFAOYSA-N 0 0 283.306 2.787 10 10 CFCERN CN(C)c1ccc(/C=C2\N=C(c3ccccc3)NC2=O)cc1 ZINC000091366339 180143217 /nfs/dbraw/zinc/14/32/17/180143217.db2.gz LFTAFBAOCZPNGN-VBKFSLOCSA-N 0 0 291.354 2.670 10 10 CFCERN CCN(/C=C1\SC(=S)N(Cc2ccco2)C1=O)CC ZINC000618255061 352739985 /nfs/dbraw/zinc/73/99/85/352739985.db2.gz PBBGDIFKCOTQBJ-LUAWRHEFSA-N 0 0 296.417 2.823 10 10 CFCERN Cc1ccc(O)c(C2=NN[C@H](c3ncc(Cl)n3C)C2)c1 ZINC000000494709 371629632 /nfs/dbraw/zinc/62/96/32/371629632.db2.gz WKEMSGWOAKIYRA-NSHDSACASA-N 0 0 290.754 2.526 10 10 CFCERN Oc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000180160563 380625758 /nfs/dbraw/zinc/62/57/58/380625758.db2.gz IURWEZHMOMRPAP-CQSZACIVSA-N 0 0 275.327 2.982 10 10 CFCERN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](O)[C@@H]2C)c1O ZINC000296374062 381367964 /nfs/dbraw/zinc/36/79/64/381367964.db2.gz STACGRWTQBGMGH-LKFCYVNXSA-N 0 0 297.782 2.593 10 10 CFCERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(F)ccc1O ZINC000186097374 381823221 /nfs/dbraw/zinc/82/32/21/381823221.db2.gz XXJMAJVYLOFAOH-RNCFNFMXSA-N 0 0 290.342 2.617 10 10 CFCERN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000189366800 382599696 /nfs/dbraw/zinc/59/96/96/382599696.db2.gz PUSUXAMPBCUNCA-UKRRQHHQSA-N 0 0 291.391 2.946 10 10 CFCERN C[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(N)cc1 ZINC000575434296 382770892 /nfs/dbraw/zinc/77/08/92/382770892.db2.gz LHXILWQPDAJBBO-JTQLQIEISA-N 0 0 266.341 2.561 10 10 CFCERN Oc1ccc(Br)c(C(F)(F)F)c1O ZINC000575685379 382787880 /nfs/dbraw/zinc/78/78/80/382787880.db2.gz GQYXYYWRUVMXEI-UHFFFAOYSA-N 0 0 257.005 2.879 10 10 CFCERN CCN(C)c1ccc([C@H](C)N[C@H]2CCCn3ncnc32)cc1 ZINC000247208479 383153178 /nfs/dbraw/zinc/15/31/78/383153178.db2.gz VOIZOVZGFGALLM-BBRMVZONSA-N 0 0 299.422 2.920 10 10 CFCERN COc1cccc(N2CCN(c3ccc(N)cc3)CC2)c1 ZINC000008030919 393468138 /nfs/dbraw/zinc/46/81/38/393468138.db2.gz RETMWDAXSDJOBI-UHFFFAOYSA-N 0 0 283.375 2.604 10 10 CFCERN O=C1c2ccccc2C(=O)C12O[C@H]2c1ccc(F)cc1 ZINC000004557246 169983399 /nfs/dbraw/zinc/98/33/99/169983399.db2.gz IMERYASGCDMASR-HNNXBMFYSA-N 0 0 268.243 2.715 10 10 CFCERN Oc1ccc(CNc2cc(F)cc(F)c2)cc1O ZINC000019961711 170943719 /nfs/dbraw/zinc/94/37/19/170943719.db2.gz QDAXFTHUCXIJLP-UHFFFAOYSA-N 0 0 251.232 2.988 10 10 CFCERN CN(C(=O)CCc1ccccc1)c1ccc(N)cc1 ZINC000020374067 171169820 /nfs/dbraw/zinc/16/98/20/171169820.db2.gz BDHAJIQFAZPIDR-UHFFFAOYSA-N 0 0 254.333 2.864 10 10 CFCERN C[C@@H](Oc1ccc(N)cc1)C(=O)Nc1ccccc1 ZINC000020388110 171177692 /nfs/dbraw/zinc/17/76/92/171177692.db2.gz ONYCYPILYKTARP-LLVKDONJSA-N 0 0 256.305 2.675 10 10 CFCERN CC(C)CSCCC(=O)Nc1ccc(N)cc1 ZINC000020484089 171223675 /nfs/dbraw/zinc/22/36/75/171223675.db2.gz SWGXITLSWBFMRI-UHFFFAOYSA-N 0 0 252.383 2.987 10 10 CFCERN COC(=O)[C@@H](N[C@@H](C)c1cc(C)ccc1O)C(C)C ZINC000035629064 172308708 /nfs/dbraw/zinc/30/87/08/172308708.db2.gz GVYDLDCVYLZCKU-FZMZJTMJSA-N 0 0 265.353 2.549 10 10 CFCERN Cc1cnc(NC(=O)CCc2ccc(N)cc2)s1 ZINC000038051641 174063458 /nfs/dbraw/zinc/06/34/58/174063458.db2.gz KLCDQQKRFUEMDE-UHFFFAOYSA-N 0 0 261.350 2.605 10 10 CFCERN Nc1ccc(OCc2nc(-c3cccs3)no2)cc1 ZINC000038055545 174067138 /nfs/dbraw/zinc/06/71/38/174067138.db2.gz WJLIKXAAZAYBKN-UHFFFAOYSA-N 0 0 273.317 2.959 10 10 CFCERN Nc1ccc(O)c(CNc2nc3ccccc3o2)c1 ZINC000038074683 174084638 /nfs/dbraw/zinc/08/46/38/174084638.db2.gz FREXZUFDQPMHIW-UHFFFAOYSA-N 0 0 255.277 2.728 10 10 CFCERN C[C@H](c1ccccc1O)N(C)C(=O)c1ccncc1 ZINC000038089415 174102125 /nfs/dbraw/zinc/10/21/25/174102125.db2.gz DEVFLQXRKSQNCI-LLVKDONJSA-N 0 0 256.305 2.620 10 10 CFCERN C[C@@H](c1ccccc1O)N(C)C(=O)c1ccccn1 ZINC000038089410 174102299 /nfs/dbraw/zinc/10/22/99/174102299.db2.gz DQUJMYWVWIGROY-NSHDSACASA-N 0 0 256.305 2.620 10 10 CFCERN Cc1ncsc1C(=O)N(C)[C@H](C)c1ccccc1O ZINC000038089561 174103266 /nfs/dbraw/zinc/10/32/66/174103266.db2.gz LXAHLLTYHUWCFQ-SNVBAGLBSA-N 0 0 276.361 2.990 10 10 CFCERN CCc1ccc([C@@H](O)COc2ccc(N)cc2)cc1 ZINC000040352088 174245051 /nfs/dbraw/zinc/24/50/51/174245051.db2.gz CCGKUMLQMGMRGI-INIZCTEOSA-N 0 0 257.333 2.944 10 10 CFCERN CC(C)N1C(=O)/C(=C\c2ccc[nH]2)SC1=S ZINC000005603600 277575922 /nfs/dbraw/zinc/57/59/22/277575922.db2.gz WEYABLLXBJZYIO-RMKNXTFCSA-N 0 0 252.364 2.624 10 10 CFCERN C[C@H]1C(=O)c2c(F)c(F)c(F)c(F)c2C(=O)[C@@H]1F ZINC000103560932 290316538 /nfs/dbraw/zinc/31/65/38/290316538.db2.gz BXXPRZHLICKJRD-DUZGATOHSA-N 0 0 264.149 2.596 10 10 CFCERN Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000186096443 302675721 /nfs/dbraw/zinc/67/57/21/302675721.db2.gz SRGPXHHMTRUNDK-RNCFNFMXSA-N 0 0 290.342 2.617 10 10 CFCERN CC(C)(C)OC(=O)NCCC[NH2+]Cc1cccc(F)c1[O-] ZINC000226606691 518830639 /nfs/dbraw/zinc/83/06/39/518830639.db2.gz HPQANXQCPIMXIT-UHFFFAOYSA-N 0 0 298.358 2.536 10 10 CFCERN CC(C)C[C@H](C[NH2+]Cc1cccc(F)c1[O-])N(C)C ZINC000158681749 519350725 /nfs/dbraw/zinc/35/07/25/519350725.db2.gz ITLRPFVSONLKJG-CYBMUJFWSA-N 0 0 268.376 2.597 10 10 CFCERN CC(C)OCCCC[NH2+]Cc1cccc(F)c1[O-] ZINC000228837564 519760853 /nfs/dbraw/zinc/76/08/53/519760853.db2.gz IUBFLTDKHGUZNV-UHFFFAOYSA-N 0 0 255.333 2.826 10 10 CFCERN CCOC[C@H]([NH2+]Cc1cccc(F)c1[O-])C(C)C ZINC000233779527 520150099 /nfs/dbraw/zinc/15/00/99/520150099.db2.gz BQLLDSIPXMMSJP-ZDUSSCGKSA-N 0 0 255.333 2.682 10 10 CFCERN COc1ccc(N(C)Cc2nc(N)ccc2Cl)cc1 ZINC000061638538 524355021 /nfs/dbraw/zinc/35/50/21/524355021.db2.gz CZVVRPKNRBLFRV-UHFFFAOYSA-N 0 0 277.755 2.962 10 10 CFCERN C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CC(C)(C)O1 ZINC000160215684 524623496 /nfs/dbraw/zinc/62/34/96/524623496.db2.gz ICVHXSTXSQMUAM-JTQLQIEISA-N 0 0 253.317 2.531 10 10 CFCERN C[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000191394125 525554783 /nfs/dbraw/zinc/55/47/83/525554783.db2.gz MBSDLZCLGGORAW-BBRMVZONSA-N 0 0 290.407 2.526 10 10 CFCERN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@H]1CCCO1 ZINC000062745440 525608965 /nfs/dbraw/zinc/60/89/65/525608965.db2.gz PYQYBLXEBAPVEZ-RBZYPMLTSA-N 0 0 253.317 2.749 10 10 CFCERN Nc1ccc(CCNc2nnc(C(F)F)s2)cc1 ZINC000261569237 618106729 /nfs/dbraw/zinc/10/67/29/618106729.db2.gz JRZYYZPTBZIRAB-UHFFFAOYSA-N 0 0 270.308 2.713 10 10 CFCERN CC(C)[C@H]([NH3+])c1cc(Br)cc(F)c1[O-] ZINC000095706634 618288169 /nfs/dbraw/zinc/28/81/69/618288169.db2.gz JWZFXBNBDNVFFF-VIFPVBQESA-N 0 0 262.122 2.950 10 10 CFCERN CCCC1=NN2C(=NC(=O)/C(=C/c3ccco3)C2=N)S1 ZINC000222375514 622956429 /nfs/dbraw/zinc/95/64/29/622956429.db2.gz KZAVDNYQMSPFNU-AUSFJKFISA-N 0 0 288.332 2.699 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]CCOC1CCCC1 ZINC000158769925 650236285 /nfs/dbraw/zinc/23/62/85/650236285.db2.gz LSSAIKOVJYSHCB-UHFFFAOYSA-N 0 0 253.317 2.580 10 10 CFCERN CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](C)O1 ZINC000159697415 650273011 /nfs/dbraw/zinc/27/30/11/650273011.db2.gz AUWPNYANEUDCAG-SWLSCSKDSA-N 0 0 277.364 2.698 10 10 CFCERN Cc1ccc(-n2cnnn2)cc1N[C@@H](C)c1ccccc1O ZINC000192767084 650593630 /nfs/dbraw/zinc/59/36/30/650593630.db2.gz UUOZHQUUCKKYSR-LBPRGKRZSA-N 0 0 295.346 2.849 10 10 CFCERN [NH3+][C@H](c1cc(Br)cc(F)c1[O-])C1CC1 ZINC000095706645 650975683 /nfs/dbraw/zinc/97/56/83/650975683.db2.gz LARDRDCTBCNLLI-VIFPVBQESA-N 0 0 260.106 2.704 10 10 CFCERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(F)ccc1O ZINC000186097342 282101336 /nfs/dbraw/zinc/10/13/36/282101336.db2.gz XXJMAJVYLOFAOH-ZANVPECISA-N 0 0 290.342 2.617 10 10 CFCERN Oc1cccc(CNc2cccc(Cl)n2)c1O ZINC000083383866 178386983 /nfs/dbraw/zinc/38/69/83/178386983.db2.gz DOZDIKJJAPHVDD-UHFFFAOYSA-N 0 0 250.685 2.758 10 10 CFCERN Oc1ccc(C2=NN[C@@H](c3ccccc3F)C2)cc1 ZINC000038212483 346337526 /nfs/dbraw/zinc/33/75/26/346337526.db2.gz WYFWROYIZOUQFN-OAHLLOKOSA-N 0 0 256.280 2.970 10 10 CFCERN CC(C)(C)OC(=O)Nc1ccnn1-c1ccc(N)cc1 ZINC000061628818 346681391 /nfs/dbraw/zinc/68/13/91/346681391.db2.gz IBDSYIIOTSVQPQ-UHFFFAOYSA-N 0 0 274.324 2.802 10 10 CFCERN CN(CCOc1ccc(N)cc1)C(=O)OC(C)(C)C ZINC000114985131 347776540 /nfs/dbraw/zinc/77/65/40/347776540.db2.gz JRLPTDRBGXGBKE-UHFFFAOYSA-N 0 0 266.341 2.515 10 10 CFCERN C[C@H](O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1 ZINC000226273965 189771225 /nfs/dbraw/zinc/77/12/25/189771225.db2.gz JZSNGUCAPXJHEH-NSHDSACASA-N 0 0 270.332 2.503 10 10 CFCERN Cc1ccc(C(=O)NCC(C)C)cc1/N=N/N(C)C ZINC000033873676 372502873 /nfs/dbraw/zinc/50/28/73/372502873.db2.gz UBJAANWFHUVAAV-WUKNDPDISA-N 0 0 262.357 2.941 10 10 CFCERN COc1cc(C=C2SC(=O)NC2=S)ccc1O ZINC000053992785 373491115 /nfs/dbraw/zinc/49/11/15/373491115.db2.gz OQAQIMBZEARFQK-UITAMQMPSA-N 0 0 267.331 2.526 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]C1Cc2ccccc2C1 ZINC000083421210 374744181 /nfs/dbraw/zinc/74/41/81/374744181.db2.gz AKXWKZKJIHICEZ-UHFFFAOYSA-N 0 0 257.308 2.788 10 10 CFCERN CCN(CC)c1ccc(CNC(=O)C[C@H](O)C(C)C)cc1 ZINC000178901586 380493652 /nfs/dbraw/zinc/49/36/52/380493652.db2.gz QPZZCUBXHHJXIH-INIZCTEOSA-N 0 0 292.423 2.556 10 10 CFCERN CCOC(=O)Cc1cc(OC(F)(F)F)ccc1N(C)C ZINC000575396966 382769414 /nfs/dbraw/zinc/76/94/14/382769414.db2.gz FNCIWLVNXSXFRJ-UHFFFAOYSA-N 0 0 291.269 2.757 10 10 CFCERN COc1ccc2[nH]c(Cc3ccc(N)cc3)nc2c1 ZINC000006786790 170243533 /nfs/dbraw/zinc/24/35/33/170243533.db2.gz LKJXZUBNHMXWLQ-UHFFFAOYSA-N 0 0 253.305 2.745 10 10 CFCERN COC(=O)c1ccc(COc2ccc(N)cc2)cc1 ZINC000020433303 171197764 /nfs/dbraw/zinc/19/77/64/171197764.db2.gz OYLYJJQVEIFYOT-UHFFFAOYSA-N 0 0 257.289 2.634 10 10 CFCERN Nc1ccc(NC(=O)CCn2cnc3ccccc32)cc1 ZINC000022164517 171365041 /nfs/dbraw/zinc/36/50/41/171365041.db2.gz WOMUZBIBJVWREM-UHFFFAOYSA-N 0 0 280.331 2.647 10 10 CFCERN CCCCNC(=O)N(CCC)Cc1ccc(N)cc1 ZINC000035364766 172153859 /nfs/dbraw/zinc/15/38/59/172153859.db2.gz XVNDENSNBWSMOK-UHFFFAOYSA-N 0 0 263.385 2.991 10 10 CFCERN CN(Cc1ccsc1)C(=O)Nc1ccc(N)cc1 ZINC000035719659 172373798 /nfs/dbraw/zinc/37/37/98/172373798.db2.gz ACGXXLZGRJDTDB-UHFFFAOYSA-N 0 0 261.350 2.994 10 10 CFCERN C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)c1cccs1 ZINC000035736640 172389967 /nfs/dbraw/zinc/38/99/67/172389967.db2.gz IODUJBROPMZWKQ-JTQLQIEISA-N 0 0 296.417 2.511 10 10 CFCERN CCn1cc(N[C@@H](C)c2ccc(OC)cc2O)cn1 ZINC000035779942 172414358 /nfs/dbraw/zinc/41/43/58/172414358.db2.gz ZOTNXTPQYWZSLJ-JTQLQIEISA-N 0 0 261.325 2.790 10 10 CFCERN C[C@@H]1C[C@@H](C)CN(C(=O)CCc2ccc(N)cc2)C1 ZINC000037222645 173043110 /nfs/dbraw/zinc/04/31/10/173043110.db2.gz QZFOTFMHGKJIQZ-CHWSQXEVSA-N 0 0 260.381 2.706 10 10 CFCERN Nc1ccc(OCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000038055626 174067182 /nfs/dbraw/zinc/06/71/82/174067182.db2.gz RDULFXWEPKYEIK-UHFFFAOYSA-N 0 0 262.240 2.895 10 10 CFCERN C[C@H](c1ccccc1O)N(C)C(=O)c1cccn1C ZINC000038089655 174102969 /nfs/dbraw/zinc/10/29/69/174102969.db2.gz WTFJPVKUWPSQCY-LLVKDONJSA-N 0 0 258.321 2.564 10 10 CFCERN COc1ccc([C@@H]2CC(c3ccc(O)cc3)=NN2)cc1OC ZINC000038223195 174137247 /nfs/dbraw/zinc/13/72/47/174137247.db2.gz XQRNSOVIBVNYGU-HNNXBMFYSA-N 0 0 298.342 2.848 10 10 CFCERN Oc1ccc(CNc2cccc(F)c2F)c(O)c1 ZINC000040230093 174209370 /nfs/dbraw/zinc/20/93/70/174209370.db2.gz QSZQJOWOASXINH-UHFFFAOYSA-N 0 0 251.232 2.988 10 10 CFCERN CCC[C@@H](NCc1ccccc1O)C(=O)OC(C)(C)C ZINC000156563855 520782632 /nfs/dbraw/zinc/78/26/32/520782632.db2.gz CDSINNGAFJFVJP-CYBMUJFWSA-N 0 0 279.380 2.992 10 10 CFCERN Cc1csc(C[NH2+]Cc2cccc(F)c2[O-])n1 ZINC000158730129 526358750 /nfs/dbraw/zinc/35/87/50/526358750.db2.gz LRQRSTZVYZJMQD-UHFFFAOYSA-N 0 0 252.314 2.586 10 10 CFCERN COc1ccc(O)c(CN[C@H](C)c2ncc(C)o2)c1 ZINC000227556008 623113077 /nfs/dbraw/zinc/11/30/77/623113077.db2.gz DVPRLSHWYROLHC-SNVBAGLBSA-N 0 0 262.309 2.548 10 10 CFCERN Cc1noc(C)c1[C@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000158806213 650237505 /nfs/dbraw/zinc/23/75/05/650237505.db2.gz VDGBDDIWAGCGCP-QMMMGPOBSA-N 0 0 264.300 2.987 10 10 CFCERN COc1ccc([C@H](C)NC(=O)Cc2ccc(N)cc2)cc1 ZINC000082699773 178201605 /nfs/dbraw/zinc/20/16/05/178201605.db2.gz SNHJHXMZKRHTJW-LBPRGKRZSA-N 0 0 284.359 2.697 10 10 CFCERN CN(C)c1ccc(NS(=O)(=O)Nc2ccccc2)cc1 ZINC000002526844 346207271 /nfs/dbraw/zinc/20/72/71/346207271.db2.gz LHUHIMWCFQWIHT-UHFFFAOYSA-N 0 0 291.376 2.521 10 10 CFCERN CC1(C)C(c2ccccc2)=[N+]([O-])[C@H](c2ccccc2O)N1O ZINC000140413831 347925365 /nfs/dbraw/zinc/92/53/65/347925365.db2.gz ZDXHVBOMPRRMMQ-INIZCTEOSA-O 0 0 299.350 2.765 10 10 CFCERN [O-]c1c(Br)cc(F)cc1[C@H]1CCC[NH2+]1 ZINC000218372016 348166500 /nfs/dbraw/zinc/16/65/00/348166500.db2.gz HWWZUUDENWFTSE-SECBINFHSA-N 0 0 260.106 2.718 10 10 CFCERN COc1cc(Br)c([O-])c([C@@H]2CCC[NH2+]2)c1 ZINC000218766318 348167477 /nfs/dbraw/zinc/16/74/77/348167477.db2.gz YHBWKXZMKNMLOO-JTQLQIEISA-N 0 0 272.142 2.588 10 10 CFCERN [NH3+][C@H](CF)c1cc(Cl)cc(Br)c1[O-] ZINC000307092864 348395849 /nfs/dbraw/zinc/39/58/49/348395849.db2.gz SGNLAIUUTJDYFH-SSDOTTSWSA-N 0 0 268.513 2.777 10 10 CFCERN O=C1NN=C(c2ccccc2)/C1=C\Cc1ccccc1 ZINC000090662177 180019343 /nfs/dbraw/zinc/01/93/43/180019343.db2.gz VLZZIGYYTYXSGV-NTCAYCPXSA-N 0 0 262.312 2.690 10 10 CFCERN OCCc1cccc([C@H]2CNc3ccccc3N2)c1 ZINC000616681604 352411347 /nfs/dbraw/zinc/41/13/47/352411347.db2.gz ZPENGGXLNFMETG-MRXNPFEDSA-N 0 0 254.333 2.800 10 10 CFCERN O=C1N=C(N2CCCC2)S/C1=C/c1cccs1 ZINC000000535601 371637562 /nfs/dbraw/zinc/63/75/62/371637562.db2.gz UNHRIIALNGZOBM-CSKARUKUSA-N 0 0 264.375 2.814 10 10 CFCERN Nc1ccc(CC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000019404119 372160167 /nfs/dbraw/zinc/16/01/67/372160167.db2.gz LERSZSAUQNDYCU-UHFFFAOYSA-N 0 0 280.249 2.867 10 10 CFCERN Cn1cccc1-c1n[nH]cc1-c1ccc2nccn2c1 ZINC000089201371 374887166 /nfs/dbraw/zinc/88/71/66/374887166.db2.gz YZLKBUWHKLNNAK-UHFFFAOYSA-N 0 0 263.304 2.730 10 10 CFCERN Cc1ccc(O)c(CN(C)[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000131532944 377724018 /nfs/dbraw/zinc/72/40/18/377724018.db2.gz FLRUIFYQAXOSNN-GFCCVEGCSA-N 0 0 279.380 2.863 10 10 CFCERN Nc1ccc(NC(=O)CN2CCCc3ccccc32)cc1 ZINC000022212149 134740479 /nfs/dbraw/zinc/74/04/79/134740479.db2.gz SUGRDZDIXSGEGF-UHFFFAOYSA-N 0 0 281.359 2.660 10 10 CFCERN CC(C)[C@@H](O)[C@H](c1ccccc1O)n1nnc2ccccc21 ZINC000005285065 170083005 /nfs/dbraw/zinc/08/30/05/170083005.db2.gz TWJYVVJVVMDKFI-DLBZAZTESA-N 0 0 297.358 2.743 10 10 CFCERN COc1cc(OC)c(Cc2ccc(N)cc2)c(OC)c1 ZINC000005329605 170086131 /nfs/dbraw/zinc/08/61/31/170086131.db2.gz QPYDCTSDJJYSJJ-UHFFFAOYSA-N 0 0 273.332 2.885 10 10 CFCERN COc1ccccc1[C@@H]1CC(c2ccccc2O)=NN1 ZINC000008496472 170338126 /nfs/dbraw/zinc/33/81/26/170338126.db2.gz IBUXKKFLBPYUDG-AWEZNQCLSA-N 0 0 268.316 2.840 10 10 CFCERN Cc1cccc(NC(=O)COCc2ccc(N)cc2)c1 ZINC000019967337 170949049 /nfs/dbraw/zinc/94/90/49/170949049.db2.gz BNDKLAMIIQNHOC-UHFFFAOYSA-N 0 0 270.332 2.733 10 10 CFCERN C[C@@H](Nc1cccc(C(N)=O)c1)c1ccccc1O ZINC000020124884 171007691 /nfs/dbraw/zinc/00/76/91/171007691.db2.gz HYATWHVFBPHABO-SNVBAGLBSA-N 0 0 256.305 2.664 10 10 CFCERN CN(Cc1cn2ccccc2n1)c1ccc(N)cc1 ZINC000020374681 171170099 /nfs/dbraw/zinc/17/00/99/171170099.db2.gz RNQZUKGWKAOEFW-UHFFFAOYSA-N 0 0 252.321 2.553 10 10 CFCERN COc1ccc(O)c([C@H]2CC(c3ccc(F)cc3)=NN2)c1 ZINC000020390624 171179392 /nfs/dbraw/zinc/17/93/92/171179392.db2.gz DIDKOJPTBIMQGX-OAHLLOKOSA-N 0 0 286.306 2.979 10 10 CFCERN Nc1ccc(CS(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000020544427 171243195 /nfs/dbraw/zinc/24/31/95/171243195.db2.gz NRZHDWOZMGENTP-UHFFFAOYSA-N 0 0 296.779 2.864 10 10 CFCERN Cc1ccc(S(=O)(=O)[N-][N+]#N)c(Br)c1 ZINC000034669630 171856531 /nfs/dbraw/zinc/85/65/31/171856531.db2.gz RAASETHCZPTZQI-UHFFFAOYSA-N 0 0 276.115 2.757 10 10 CFCERN C[C@@H](OCC(F)(F)C(F)F)C(=O)Nc1ccc(N)cc1 ZINC000034958331 171904039 /nfs/dbraw/zinc/90/40/39/171904039.db2.gz PEBDRKFCRUPZDO-SSDOTTSWSA-N 0 0 294.248 2.513 10 10 CFCERN Nc1ccc(CCOc2ccc3c(c2)OCO3)cc1 ZINC000035677376 172348150 /nfs/dbraw/zinc/34/81/50/172348150.db2.gz ZDNWGMDZOMYCAA-UHFFFAOYSA-N 0 0 257.289 2.619 10 10 CFCERN CN(Cc1cccs1)C(=O)Nc1ccc(N)cc1 ZINC000035717964 172372378 /nfs/dbraw/zinc/37/23/78/172372378.db2.gz LTJXLBCPUHLWJM-UHFFFAOYSA-N 0 0 261.350 2.994 10 10 CFCERN C[C@@H](c1ccccc1O)N(C)C(=O)NC(C)(C)C ZINC000038089806 174103428 /nfs/dbraw/zinc/10/34/28/174103428.db2.gz QBWPFRLXSGNRJJ-JTQLQIEISA-N 0 0 250.342 2.893 10 10 CFCERN CC(C)COCCC[NH2+]Cc1cccc(F)c1[O-] ZINC000158679475 519754323 /nfs/dbraw/zinc/75/43/23/519754323.db2.gz DKVZYUPBWMKACK-UHFFFAOYSA-N 0 0 255.333 2.684 10 10 CFCERN CC(C)[C@H](C[NH2+]Cc1cccc(F)c1[O-])N1CCCC1 ZINC000164940827 519815980 /nfs/dbraw/zinc/81/59/80/519815980.db2.gz UCQVMDGDOOHMPB-HNNXBMFYSA-N 0 0 280.387 2.741 10 10 CFCERN CSc1ccccc1C(=O)N1CCS[C@@H](C)C1 ZINC000171581949 526149417 /nfs/dbraw/zinc/14/94/17/526149417.db2.gz QCXRGFVZZJJIIX-JTQLQIEISA-N 0 0 267.419 2.986 10 10 CFCERN Nc1ccc(OCCn2ncc3ccccc32)cc1 ZINC000050523944 527496785 /nfs/dbraw/zinc/49/67/85/527496785.db2.gz IGVXJCAOTRGRHP-UHFFFAOYSA-N 0 0 253.305 2.698 10 10 CFCERN Cc1ccc(C[NH2+]Cc2cccc(F)c2[O-])nc1C ZINC000314225309 618780513 /nfs/dbraw/zinc/78/05/13/618780513.db2.gz VJHIDUAVXLRXNU-UHFFFAOYSA-N 0 0 260.312 2.833 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]CCOCC1CCCC1 ZINC000313259562 623674477 /nfs/dbraw/zinc/67/44/77/623674477.db2.gz ZYCRUNONSCRJLW-UHFFFAOYSA-N 0 0 267.344 2.828 10 10 CFCERN COc1cccc(CNC(=O)N[C@H](C)C(C)(C)C)c1O ZINC000174874469 624538863 /nfs/dbraw/zinc/53/88/63/624538863.db2.gz VAUOJHVIHSRRNK-SNVBAGLBSA-N 0 0 280.368 2.635 10 10 CFCERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)C(C)C)c1 ZINC000103507650 626547502 /nfs/dbraw/zinc/54/75/02/626547502.db2.gz LCEUJBNKSJXMRV-GHMZBOCLSA-N 0 0 280.368 2.806 10 10 CFCERN [O-]c1c(Br)cccc1C[NH2+]C1CCC1 ZINC000052208980 346517949 /nfs/dbraw/zinc/51/79/49/346517949.db2.gz AADVJWXPJXBTCW-UHFFFAOYSA-N 0 0 256.143 2.797 10 10 CFCERN CCOC(=O)c1cc(C)n(Cc2cc(Cl)ccc2O)n1 ZINC000113396909 347767190 /nfs/dbraw/zinc/76/71/90/347767190.db2.gz USSRPICQDQQPDW-UHFFFAOYSA-N 0 0 294.738 2.776 10 10 CFCERN O=C1c2nc(-c3cccnc3)oc2C(=O)c2ccccc21 ZINC000214492268 348161858 /nfs/dbraw/zinc/16/18/58/348161858.db2.gz DOYPPVCQHGJUBC-UHFFFAOYSA-N 0 0 276.251 2.512 10 10 CFCERN [O-]c1c(F)cc(Br)cc1[C@H]1CCC[NH2+]1 ZINC000238722608 348248728 /nfs/dbraw/zinc/24/87/28/348248728.db2.gz FDBWGQRAUPSKHP-SECBINFHSA-N 0 0 260.106 2.718 10 10 CFCERN O=[N+]([O-])C(N=Nc1ccccc1)=C1NCCS1 ZINC000584611151 348689431 /nfs/dbraw/zinc/68/94/31/348689431.db2.gz NPRDYYVZMQPTCC-WBVBYKIGSA-N 0 0 250.283 2.510 10 10 CFCERN CC1(C)O[C@@](C)(c2ccc(Cl)cc2)C(=O)C1=O ZINC000584630610 348695391 /nfs/dbraw/zinc/69/53/91/348695391.db2.gz COAJXFOXOMNEFV-ZDUSSCGKSA-N 0 0 252.697 2.502 10 10 CFCERN O=c1cc(-c2ccc(O)cc2)oc2ccc(O)c(O)c12 ZINC000090713237 180028944 /nfs/dbraw/zinc/02/89/44/180028944.db2.gz VMOBMZZJONPCOW-UHFFFAOYSA-N 0 0 270.240 2.577 10 10 CFCERN CN1CCc2cc(O)cc3c2[C@@H]1Cc1ccc(O)c(O)c1-3 ZINC000003874842 371820233 /nfs/dbraw/zinc/82/02/33/371820233.db2.gz QNBCPLWFVGLFHO-ZDUSSCGKSA-N 0 0 283.327 2.556 10 10 CFCERN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(Cl)c1[O-] ZINC000124602429 377070460 /nfs/dbraw/zinc/07/04/60/377070460.db2.gz ZUGRRENNDLBBJT-WCQYABFASA-N 0 0 280.799 2.714 10 10 CFCERN COc1cccc(CN(C)[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000131523759 377721658 /nfs/dbraw/zinc/72/16/58/377721658.db2.gz OZLNTHDQZIPZBI-NSHDSACASA-N 0 0 295.379 2.563 10 10 CFCERN O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000182550271 381111942 /nfs/dbraw/zinc/11/19/42/381111942.db2.gz MCCKGEFFQBKGHH-KGLIPLIRSA-N 0 0 289.375 2.930 10 10 CFCERN CN(C)c1ccc(OCF)cc1OC(F)(F)F ZINC000575397043 382769509 /nfs/dbraw/zinc/76/95/09/382769509.db2.gz ADKKNBHOIQFSDY-UHFFFAOYSA-N 0 0 253.195 2.957 10 10 CFCERN C[C@H](CNC(=O)OC(C)(C)C)Oc1ccc(N)cc1 ZINC000575434297 382770860 /nfs/dbraw/zinc/77/08/60/382770860.db2.gz LHXILWQPDAJBBO-SNVBAGLBSA-N 0 0 266.341 2.561 10 10 CFCERN CCC[C@@H]1CN(Cc2cccc(F)c2O)CCO1 ZINC000272337633 385513210 /nfs/dbraw/zinc/51/32/10/385513210.db2.gz XYCDWRLTKMLOSZ-GFCCVEGCSA-N 0 0 253.317 2.532 10 10 CFCERN CCc1cc(NCc2ccccc2O)c(=O)[nH]c1C ZINC000005887288 170150359 /nfs/dbraw/zinc/15/03/59/170150359.db2.gz GJJTWMJKJHXXIQ-UHFFFAOYSA-N 0 0 258.321 2.563 10 10 CFCERN COc1ccc(C2=NN[C@H](c3cccc(OC)c3O)C2)cc1 ZINC000006736497 170236333 /nfs/dbraw/zinc/23/63/33/170236333.db2.gz WUSDLASJMZMMEW-HNNXBMFYSA-N 0 0 298.342 2.848 10 10 CFCERN COc1ccc(C(=O)Nc2ccc(N)cc2)c(OC)c1 ZINC000019273790 170768607 /nfs/dbraw/zinc/76/86/07/170768607.db2.gz MHSKGBFZPFLXNM-UHFFFAOYSA-N 0 0 272.304 2.538 10 10 CFCERN Oc1ccc(CNc2ccc(F)c(F)c2)c(O)c1 ZINC000019918151 170926743 /nfs/dbraw/zinc/92/67/43/170926743.db2.gz NAHXNSSYPVSRQG-UHFFFAOYSA-N 0 0 251.232 2.988 10 10 CFCERN Oc1ccc(CNc2c(F)cccc2F)c(O)c1 ZINC000020476265 171220200 /nfs/dbraw/zinc/22/02/00/171220200.db2.gz ZVHUJXLYBARRHP-UHFFFAOYSA-N 0 0 251.232 2.988 10 10 CFCERN Nc1ncccc1OCc1ccc2ccccc2n1 ZINC000020483646 171223871 /nfs/dbraw/zinc/22/38/71/171223871.db2.gz XVPRYNWBCPZMFZ-UHFFFAOYSA-N 0 0 251.289 2.791 10 10 CFCERN Nc1ccc(NC(=O)CCOc2cccc(F)c2)cc1 ZINC000022167422 171366323 /nfs/dbraw/zinc/36/63/23/171366323.db2.gz SLMKEDHUVVJCQP-UHFFFAOYSA-N 0 0 274.295 2.816 10 10 CFCERN CCCCN1CCC/C1=C1\SC(=S)N(CC)C1=O ZINC000033827884 171822064 /nfs/dbraw/zinc/82/20/64/171822064.db2.gz BJMYCYFLFIEAFO-ZHACJKMWSA-N 0 0 284.450 2.974 10 10 CFCERN CCN(Cc1ccc(N)cc1)S(=O)(=O)c1cccs1 ZINC000035361275 172152822 /nfs/dbraw/zinc/15/28/22/172152822.db2.gz JBZMISZKUVHTHV-UHFFFAOYSA-N 0 0 296.417 2.541 10 10 CFCERN CCCN(CCOc1ccc(N)cc1)CC(F)(F)F ZINC000042738831 174861218 /nfs/dbraw/zinc/86/12/18/174861218.db2.gz SCIOXCUEEQLCPM-UHFFFAOYSA-N 0 0 276.302 2.922 10 10 CFCERN CN(C)c1ccc(NNc2ccccc2[N+](=O)[O-])cc1 ZINC000070461098 175942886 /nfs/dbraw/zinc/94/28/86/175942886.db2.gz MUAZFZUQSYNKQA-CZYXKEEPSA-N 0 0 272.308 2.976 10 10 CFCERN CO[C@]1(C)CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000230299882 521750295 /nfs/dbraw/zinc/75/02/95/521750295.db2.gz GGWOCQOQAIUDTJ-CQSZACIVSA-N 0 0 253.317 2.532 10 10 CFCERN CN(C)[C@H](C[NH2+]Cc1cccc(F)c1[O-])c1ccco1 ZINC000164934483 522087212 /nfs/dbraw/zinc/08/72/12/522087212.db2.gz CRUZCKJHVVZQIN-CYBMUJFWSA-N 0 0 278.327 2.517 10 10 CFCERN COc1cc(F)ccc1NCc1cccc(O)c1O ZINC000049564365 522615164 /nfs/dbraw/zinc/61/51/64/522615164.db2.gz UCJIJCJRXQHBHC-UHFFFAOYSA-N 0 0 263.268 2.858 10 10 CFCERN CC[C@@H](N[C@H]1CCCn2ncnc21)c1ccc(N(C)C)cc1 ZINC000164722914 522948415 /nfs/dbraw/zinc/94/84/15/522948415.db2.gz DDTCMMUTVGQBOY-CVEARBPZSA-N 0 0 299.422 2.920 10 10 CFCERN CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(F)c1[O-] ZINC000160192284 523508655 /nfs/dbraw/zinc/50/86/55/523508655.db2.gz CPKZDBIBJSLEHA-CMPLNLGQSA-N 0 0 253.317 2.531 10 10 CFCERN Cc1ccc(F)c(C(=O)N(C)c2ccc(N)cc2)c1 ZINC000052980622 524782619 /nfs/dbraw/zinc/78/26/19/524782619.db2.gz QPPKWILBIYSIML-UHFFFAOYSA-N 0 0 258.296 2.993 10 10 CFCERN C[C@H]1OCCC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000191394080 525016482 /nfs/dbraw/zinc/01/64/82/525016482.db2.gz MBSDLZCLGGORAW-CZUORRHYSA-N 0 0 290.407 2.526 10 10 CFCERN Oc1ccc(CNCc2ccc(F)cc2F)cc1O ZINC000051016567 526344680 /nfs/dbraw/zinc/34/46/80/526344680.db2.gz NCQPDZLNUNZMLJ-UHFFFAOYSA-N 0 0 265.259 2.666 10 10 CFCERN Nc1ccc(CCNc2nnc(C(F)(F)F)s2)cc1 ZINC000160365273 527480810 /nfs/dbraw/zinc/48/08/10/527480810.db2.gz UWUVBHFUQHJPHW-UHFFFAOYSA-N 0 0 288.298 2.794 10 10 CFCERN COc1cccc(C[NH2+]Cc2cccc(F)c2[O-])c1 ZINC000083445867 618023602 /nfs/dbraw/zinc/02/36/02/618023602.db2.gz MTTKYWNXEWKYIB-UHFFFAOYSA-N 0 0 261.296 2.830 10 10 CFCERN C[C@@H](O)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000309976163 618258373 /nfs/dbraw/zinc/25/83/73/618258373.db2.gz SXOOYHSWCUAQOU-RNFRBKRXSA-N 0 0 264.152 2.558 10 10 CFCERN C[C@@H]1[C@@H]([NH3+])CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000310138617 618268533 /nfs/dbraw/zinc/26/85/33/618268533.db2.gz BSILSYBKRSSFHH-HQJQHLMTSA-N 0 0 275.179 2.621 10 10 CFCERN CCN(CC)c1ccc(CNC(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000178103940 618624217 /nfs/dbraw/zinc/62/42/17/618624217.db2.gz WYJIKXNEVCPFDS-CZUORRHYSA-N 0 0 290.407 2.717 10 10 CFCERN CN(C)C[C@H]([NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000164936414 622974986 /nfs/dbraw/zinc/97/49/86/622974986.db2.gz ZJGKNAASJMFDFV-INIZCTEOSA-N 0 0 288.366 2.924 10 10 CFCERN COC(=O)[C@H](NCc1cccc(F)c1O)c1ccccc1 ZINC000165036660 622979428 /nfs/dbraw/zinc/97/94/28/622979428.db2.gz VCYWGYYXVZPVSS-CQSZACIVSA-N 0 0 289.306 2.535 10 10 CFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@@H]2C)cc1F ZINC000109033512 633784621 /nfs/dbraw/zinc/78/46/21/633784621.db2.gz SHHXCNGTAWRCNI-SMDDNHRTSA-N 0 0 293.386 2.880 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000158719555 650233925 /nfs/dbraw/zinc/23/39/25/650233925.db2.gz HCUIRUJUMBKSHG-CYBMUJFWSA-N 0 0 257.308 2.961 10 10 CFCERN COc1ccc(C[NH2+][C@H]2CCC[C@H](C(=O)[O-])C2)cc1C ZINC000086787136 650797165 /nfs/dbraw/zinc/79/71/65/650797165.db2.gz TZHGVEPDAHRPEU-KBPBESRZSA-N 0 0 277.364 2.737 10 10 CFCERN Oc1ccc(CNc2cccc(Cl)n2)c(O)c1 ZINC000083383864 178386928 /nfs/dbraw/zinc/38/69/28/178386928.db2.gz KSKYDJBGTJQLPI-UHFFFAOYSA-N 0 0 250.685 2.758 10 10 CFCERN Oc1cccc(CNc2cnccc2Cl)c1O ZINC000083383870 178387347 /nfs/dbraw/zinc/38/73/47/178387347.db2.gz DHDWDOLWVLMPIZ-UHFFFAOYSA-N 0 0 250.685 2.758 10 10 CFCERN Cc1nnc2c(Oc3ccc(N)cc3)nc3ccccc3n12 ZINC000035538283 282343039 /nfs/dbraw/zinc/34/30/39/282343039.db2.gz GERRBMSKHCXMKF-UHFFFAOYSA-N 0 0 291.314 2.960 10 10 CFCERN CCCS(=O)(=O)Nc1cc(Cl)c(O)cc1C ZINC000085344890 179028429 /nfs/dbraw/zinc/02/84/29/179028429.db2.gz FHZLOBAMDLPPMX-UHFFFAOYSA-N 0 0 263.746 2.506 10 10 CFCERN Nc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000063063550 346695242 /nfs/dbraw/zinc/69/52/42/346695242.db2.gz CANUUNDQAWRHID-UHFFFAOYSA-N 0 0 272.264 2.821 10 10 CFCERN Nc1ccc(N2CCN=C2c2ccc(F)cc2)cc1 ZINC000011847808 371932483 /nfs/dbraw/zinc/93/24/83/371932483.db2.gz YLQAWFJNBIQOAL-UHFFFAOYSA-N 0 0 255.296 2.675 10 10 CFCERN CC(C)CS[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000034958003 372520981 /nfs/dbraw/zinc/52/09/81/372520981.db2.gz TXLFDCVWBOKYHC-JTQLQIEISA-N 0 0 252.383 2.985 10 10 CFCERN CC[C@@H](NC(=O)c1ccccc1C(=O)N=N)C(=O)C=NN ZINC000575041682 382723921 /nfs/dbraw/zinc/72/39/21/382723921.db2.gz NCDHFEBHXQCVAV-ZMYYCMTISA-N 0 0 289.295 2.797 10 10 CFCERN CCn1nc(C)c(/C=C2/SC(=S)N(CC)C2=O)c1C ZINC000002788526 169831038 /nfs/dbraw/zinc/83/10/38/169831038.db2.gz PPHSQJYZCZGYLM-YRNVUSSQSA-N 0 0 295.433 2.741 10 10 CFCERN CC[C@H]1SC(=S)N(Cc2ccccc2)C1=O ZINC000003620157 169903167 /nfs/dbraw/zinc/90/31/67/169903167.db2.gz UPRXQAHLBPEUBH-SNVBAGLBSA-N 0 0 251.376 2.826 10 10 CFCERN O=C1C[C@H](c2ccccc2O)Nc2ccccc2N1 ZINC000005799743 170141585 /nfs/dbraw/zinc/14/15/85/170141585.db2.gz RULWLMMARPDSQB-CYBMUJFWSA-N 0 0 254.289 2.888 10 10 CFCERN CN1CCc2cc(O)c(O)c3c2[C@H]1Cc1ccccc1-3 ZINC000005966823 170163627 /nfs/dbraw/zinc/16/36/27/170163627.db2.gz SYKWSIUDXOQIDR-CYBMUJFWSA-N 0 0 267.328 2.850 10 10 CFCERN Nc1ccc(CSc2nnc3n2CCCCC3)cc1 ZINC000019846378 170894748 /nfs/dbraw/zinc/89/47/48/170894748.db2.gz WHUUGEVDLGNFOM-UHFFFAOYSA-N 0 0 274.393 2.879 10 10 CFCERN Nc1ccc(COc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000022213158 171374180 /nfs/dbraw/zinc/37/41/80/171374180.db2.gz UPQLXCUOPHXZON-UHFFFAOYSA-N 0 0 268.316 2.733 10 10 CFCERN Cc1cc(N)ccc1N1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000035280813 172099455 /nfs/dbraw/zinc/09/94/55/172099455.db2.gz DOOMYAMDIJLFJW-HNNXBMFYSA-N 0 0 260.337 2.503 10 10 CFCERN CCCCN(CC)c1cc2c(cc1N)NC(=O)CC2 ZINC000035341179 172133579 /nfs/dbraw/zinc/13/35/79/172133579.db2.gz JSSQUZMKABVVCB-UHFFFAOYSA-N 0 0 261.369 2.780 10 10 CFCERN CN(Cc1ccc(F)cc1)C(=O)CCc1ccc(N)cc1 ZINC000038051711 174063367 /nfs/dbraw/zinc/06/33/67/174063367.db2.gz LQMIIMFXFBESLW-UHFFFAOYSA-N 0 0 286.350 2.999 10 10 CFCERN C[C@@H](Oc1ccc(N)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000040354224 174245542 /nfs/dbraw/zinc/24/55/42/174245542.db2.gz BWOQCHFKXCNHFJ-SNVBAGLBSA-N 0 0 285.299 2.648 10 10 CFCERN Nc1ccc(CCN(CC(F)(F)F)C2CC2)cc1 ZINC000042738605 174860342 /nfs/dbraw/zinc/86/03/42/174860342.db2.gz JEOGMFNBXKXWRI-UHFFFAOYSA-N 0 0 258.287 2.838 10 10 CFCERN CCN(CC)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000121663165 520511007 /nfs/dbraw/zinc/51/10/07/520511007.db2.gz VGUOJJIMRULACQ-UHFFFAOYSA-N 0 0 273.380 2.614 10 10 CFCERN CC[C@@H](C)OCCCC(=O)Nc1ccc(N)cc1 ZINC000048263662 522254078 /nfs/dbraw/zinc/25/40/78/522254078.db2.gz AEOUJOPWXATNHI-LLVKDONJSA-N 0 0 250.342 2.803 10 10 CFCERN CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(F)c1[O-] ZINC000160192423 523344992 /nfs/dbraw/zinc/34/49/92/523344992.db2.gz CPKZDBIBJSLEHA-JQWIXIFHSA-N 0 0 253.317 2.531 10 10 CFCERN Oc1c(F)cccc1CNCC(F)(F)C(F)F ZINC000236553889 526328281 /nfs/dbraw/zinc/32/82/81/526328281.db2.gz ZVNPQENXGIPCEV-UHFFFAOYSA-N 0 0 255.186 2.521 10 10 CFCERN Oc1ccccc1CNc1ccccc1N1CCOCC1 ZINC000057708813 526373881 /nfs/dbraw/zinc/37/38/81/526373881.db2.gz KAOXMWPSXSXSBL-UHFFFAOYSA-N 0 0 284.359 2.841 10 10 CFCERN Nc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 ZINC000061617551 527490337 /nfs/dbraw/zinc/49/03/37/527490337.db2.gz ZVBKQZYTLITJGZ-UHFFFAOYSA-N 0 0 252.317 2.939 10 10 CFCERN C[C@H]([NH3+])c1c([O-])c(Cl)cc(Br)c1F ZINC000757147472 617822979 /nfs/dbraw/zinc/82/29/79/617822979.db2.gz XLQKWYTUBJXYCB-VKHMYHEASA-N 0 0 268.513 2.967 10 10 CFCERN COC(=O)[C@@H](NCc1cc(C)ccc1O)c1ccccc1 ZINC000071409037 625515673 /nfs/dbraw/zinc/51/56/73/625515673.db2.gz XGTGUGZNDLOPKI-INIZCTEOSA-N 0 0 285.343 2.705 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000164934872 622975179 /nfs/dbraw/zinc/97/51/79/622975179.db2.gz NGIRJUMBEQXBPR-UHFFFAOYSA-N 0 0 275.279 2.550 10 10 CFCERN Cc1cnc(C[NH2+]Cc2cccc(F)c2[O-])s1 ZINC000226609462 623083335 /nfs/dbraw/zinc/08/33/35/623083335.db2.gz CRDOVQDPTFHWRM-UHFFFAOYSA-N 0 0 252.314 2.586 10 10 CFCERN Cc1cnc([C@H](C)NCc2ccc(N(C)C)cc2)o1 ZINC000227555567 623113250 /nfs/dbraw/zinc/11/32/50/623113250.db2.gz LLZCVZZCXFLBLB-LBPRGKRZSA-N 0 0 259.353 2.900 10 10 CFCERN COc1cccc(CN[C@H](C)c2ncc(C)o2)c1O ZINC000231528729 623354666 /nfs/dbraw/zinc/35/46/66/623354666.db2.gz OQVDXACIRNSXLH-SNVBAGLBSA-N 0 0 262.309 2.548 10 10 CFCERN Cc1cnc([C@H](C)NCc2cc(F)ccc2O)o1 ZINC000231527782 623355759 /nfs/dbraw/zinc/35/57/59/623355759.db2.gz UCEGFFNLFXUEHO-VIFPVBQESA-N 0 0 250.273 2.679 10 10 CFCERN O=S(=O)(/C=C/c1ccccc1)Nc1ccc(O)cc1F ZINC000181626480 625201109 /nfs/dbraw/zinc/20/11/09/625201109.db2.gz VXXCCAQGDUJJGS-CMDGGOBGSA-N 0 0 293.319 2.944 10 10 CFCERN COc1ccccc1[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000040310400 649983799 /nfs/dbraw/zinc/98/37/99/649983799.db2.gz NWQVGFGGYAMTQG-GFCCVEGCSA-N 0 0 284.359 2.697 10 10 CFCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000089159925 650829152 /nfs/dbraw/zinc/82/91/52/650829152.db2.gz GPRFTUWKEQTCSP-UFBFGSQYSA-N 0 0 290.190 2.950 10 10 CFCERN [O-]c1c(Br)cccc1[C@@H]1CCCC[NH2+]1 ZINC000096884317 185120315 /nfs/dbraw/zinc/12/03/15/185120315.db2.gz OLICCICJCCGFIG-JTQLQIEISA-N 0 0 256.143 2.969 10 10 CFCERN Cc1nn(C(C)C)cc1NCc1cccc(O)c1O ZINC000725242824 539556761 /nfs/dbraw/zinc/55/67/61/539556761.db2.gz ZOCMRMOQTLAHBE-UHFFFAOYSA-N 0 0 261.325 2.796 10 10 CFCERN CCOc1cc2cc(C(=O)OC)oc2cc1OC ZINC000218233231 348166270 /nfs/dbraw/zinc/16/62/70/348166270.db2.gz JNAAJUNQTMDVBY-UHFFFAOYSA-N 0 0 250.250 2.627 10 10 CFCERN Cc1ccc(O)c(C2=NN[C@@H](c3ncc(Cl)n3C)C2)c1 ZINC000000494708 371630140 /nfs/dbraw/zinc/63/01/40/371630140.db2.gz WKEMSGWOAKIYRA-LLVKDONJSA-N 0 0 290.754 2.526 10 10 CFCERN COCC[NH2+][C@H](C)c1ccc(N2CCCC2)c(F)c1 ZINC000020550913 372239497 /nfs/dbraw/zinc/23/94/97/372239497.db2.gz ROWFWWFZUVWCCX-GFCCVEGCSA-N 0 0 266.360 2.723 10 10 CFCERN Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000034955800 372519518 /nfs/dbraw/zinc/51/95/18/372519518.db2.gz SGRBJHAFOYSXMU-UHFFFAOYSA-N 0 0 282.752 2.723 10 10 CFCERN O=C1N=C(N2CCCC2)S/C1=C\c1cccc2c1NCC2 ZINC000089210118 374889405 /nfs/dbraw/zinc/88/94/05/374889405.db2.gz RFVSEJCRRQVANR-RAXLEYEMSA-N 0 0 299.399 2.721 10 10 CFCERN Cc1nc(C[C@H]2CCC[N@H+](Cc3ccccc3O)C2)no1 ZINC000179570413 380558306 /nfs/dbraw/zinc/55/83/06/380558306.db2.gz GJZNRHOKMVGHNM-CYBMUJFWSA-N 0 0 287.363 2.538 10 10 CFCERN Cc1csc([C@@H]2CN(Cc3ccccc3O)CCO2)n1 ZINC000179567521 380559271 /nfs/dbraw/zinc/55/92/71/380559271.db2.gz UGESAPYRTVTXQS-AWEZNQCLSA-N 0 0 290.388 2.731 10 10 CFCERN C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccc(F)cc1[O-] ZINC000246942172 383123892 /nfs/dbraw/zinc/12/38/92/383123892.db2.gz OIFLUSBCTXJPHB-MISXGVKJSA-N 0 0 267.344 2.733 10 10 CFCERN COc1ccc(CN2Cc3c(cccc3O)C2=O)cc1 ZINC000521399669 383295448 /nfs/dbraw/zinc/29/54/48/383295448.db2.gz DIIYUDLERFFNIH-UHFFFAOYSA-N 0 0 269.300 2.557 10 10 CFCERN CCOC(=O)c1[nH]c2c(c1C[C@H](CC)[N+](=O)[O-])CCCC2 ZINC000005158767 170072300 /nfs/dbraw/zinc/07/23/00/170072300.db2.gz CLXWPRKKDQNNRL-JTQLQIEISA-N 0 0 294.351 2.668 10 10 CFCERN COc1ccccc1[C@H]1CC(c2ccccc2O)=NN1 ZINC000008496513 170338168 /nfs/dbraw/zinc/33/81/68/170338168.db2.gz IBUXKKFLBPYUDG-CQSZACIVSA-N 0 0 268.316 2.840 10 10 CFCERN Oc1ccc(CNc2ccc(F)cc2F)c(O)c1 ZINC000019951897 170939592 /nfs/dbraw/zinc/93/95/92/170939592.db2.gz ZHBIGMPMOFEHHA-UHFFFAOYSA-N 0 0 251.232 2.988 10 10 CFCERN C[C@H](Nc1ccc2c(c1)OCO2)c1cc(O)ccc1O ZINC000019966295 170947714 /nfs/dbraw/zinc/94/77/14/170947714.db2.gz XREMMWGKDKBUMB-VIFPVBQESA-N 0 0 273.288 3.000 10 10 CFCERN CN(c1ccc(N)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020374281 171169373 /nfs/dbraw/zinc/16/93/73/171169373.db2.gz GMDIEUYJXFSVPU-UHFFFAOYSA-N 0 0 296.779 2.747 10 10 CFCERN Oc1ccc(CNc2c(F)cccc2F)cc1O ZINC000020476283 171220438 /nfs/dbraw/zinc/22/04/38/171220438.db2.gz VEFGACKVSRUPQK-UHFFFAOYSA-N 0 0 251.232 2.988 10 10 CFCERN C[C@@H](OCc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000022218917 171377002 /nfs/dbraw/zinc/37/70/02/171377002.db2.gz VDPPYQJJSBMLAQ-GFCCVEGCSA-N 0 0 270.332 2.813 10 10 CFCERN Cc1cc(N)ccc1N1C(=O)C[C@](C)(C(C)C)C1=O ZINC000035280815 172099090 /nfs/dbraw/zinc/09/90/90/172099090.db2.gz DOOMYAMDIJLFJW-OAHLLOKOSA-N 0 0 260.337 2.503 10 10 CFCERN Nc1ccc(OCCCn2c3ccccc3oc2=O)cc1 ZINC000036671599 172648943 /nfs/dbraw/zinc/64/89/43/172648943.db2.gz GFITYSZARCUVFM-UHFFFAOYSA-N 0 0 284.315 2.646 10 10 CFCERN CN(C(=O)CCc1ccc(N)cc1)C1CCCCC1 ZINC000037222606 173043029 /nfs/dbraw/zinc/04/30/29/173043029.db2.gz UWTJXXGUZJXKFJ-UHFFFAOYSA-N 0 0 260.381 2.993 10 10 CFCERN Nc1ccc(CCC(=O)NCc2cccs2)cc1 ZINC000038051678 174063584 /nfs/dbraw/zinc/06/35/84/174063584.db2.gz XEWGLTRVNRSVPY-UHFFFAOYSA-N 0 0 260.362 2.579 10 10 CFCERN Nc1ccc(OCCC(=O)Nc2ccccc2)cc1 ZINC000038055608 174067156 /nfs/dbraw/zinc/06/71/56/174067156.db2.gz KBYSZUXUHFMYGQ-UHFFFAOYSA-N 0 0 256.305 2.676 10 10 CFCERN CCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CC[NH2+]C1 ZINC000071311990 176119001 /nfs/dbraw/zinc/11/90/01/176119001.db2.gz DYLUZMJZINODAT-NSHDSACASA-N 0 0 289.206 2.883 10 10 CFCERN COc1c(C)cc2c(c1OC)C(=O)c1ccccc1C2=O ZINC000013334363 277780986 /nfs/dbraw/zinc/78/09/86/277780986.db2.gz YHRBISPBNCKHNH-UHFFFAOYSA-N 0 0 282.295 2.788 10 10 CFCERN Cc1noc(CNCc2c(O)ccc3ccccc32)n1 ZINC000038034375 326869101 /nfs/dbraw/zinc/86/91/01/326869101.db2.gz MEVFDNRSMNGYGI-UHFFFAOYSA-N 0 0 269.304 2.527 10 10 CFCERN CCC[C@H](NCc1ccccc1O)C(=O)OC(C)(C)C ZINC000156563722 521163520 /nfs/dbraw/zinc/16/35/20/521163520.db2.gz CDSINNGAFJFVJP-ZDUSSCGKSA-N 0 0 279.380 2.992 10 10 CFCERN CCCN(Cc1nnc(C)n1CC)Cc1ccccc1O ZINC000170779136 521695957 /nfs/dbraw/zinc/69/59/57/521695957.db2.gz SQFYGCGZQKTVCV-UHFFFAOYSA-N 0 0 288.395 2.724 10 10 CFCERN CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1[O-] ZINC000272254616 521722575 /nfs/dbraw/zinc/72/25/75/521722575.db2.gz CMDFPJDCUSPKCV-KGLIPLIRSA-N 0 0 278.371 2.590 10 10 CFCERN COC(=O)Cc1csc(-c2ccc(N(C)C)cc2)n1 ZINC000049870276 523377521 /nfs/dbraw/zinc/37/75/21/523377521.db2.gz HJWYKIVGKIKDBZ-UHFFFAOYSA-N 0 0 276.361 2.592 10 10 CFCERN C[C@@H]1CN(c2ccc(OC(F)F)cc2)CCC1=O ZINC000049693688 525068033 /nfs/dbraw/zinc/06/80/33/525068033.db2.gz ZCTWBGWGGAWWFN-SECBINFHSA-N 0 0 255.264 2.703 10 10 CFCERN [O-]c1c(F)cccc1C[N@@H+]1CCOCC12CCCC2 ZINC000272503208 526328900 /nfs/dbraw/zinc/32/89/00/526328900.db2.gz VYPBXBRNYPMJBB-UHFFFAOYSA-N 0 0 265.328 2.676 10 10 CFCERN Cc1ncc(C[NH2+]Cc2cccc(F)c2[O-])s1 ZINC000158733913 527274014 /nfs/dbraw/zinc/27/40/14/527274014.db2.gz LHFXYONPEBVTMQ-UHFFFAOYSA-N 0 0 252.314 2.586 10 10 CFCERN CNC(=O)c1ccc(NCc2cccc(F)c2O)cc1 ZINC000164958755 622976398 /nfs/dbraw/zinc/97/63/98/622976398.db2.gz IWTTUYMCLHSFAH-UHFFFAOYSA-N 0 0 274.295 2.503 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000165030307 622978528 /nfs/dbraw/zinc/97/85/28/622978528.db2.gz JHDWCQSRFSDLSQ-CYBMUJFWSA-N 0 0 273.307 2.625 10 10 CFCERN CCN1CCC[C@H]1C[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000124597827 642271654 /nfs/dbraw/zinc/27/16/54/642271654.db2.gz NUFJNUDVXURZRG-ZDUSSCGKSA-N 0 0 282.815 2.962 10 10 CFCERN CCn1ccnc1CN(C)c1ccc(OC)cc1OC ZINC000131769027 645812489 /nfs/dbraw/zinc/81/24/89/645812489.db2.gz OIPJZDLIZGMJHA-UHFFFAOYSA-N 0 0 275.352 2.557 10 10 CFCERN O=C(C(=O)c1cccnc1)c1ccc(OC(F)F)cc1 ZINC000090557616 347551380 /nfs/dbraw/zinc/55/13/80/347551380.db2.gz RSYFUDLTCLUPQO-UHFFFAOYSA-N 0 0 277.226 2.749 10 10 CFCERN [O-]c1c(Br)cc(F)cc1[C@@H]1CCC[NH2+]1 ZINC000218371946 348166749 /nfs/dbraw/zinc/16/67/49/348166749.db2.gz HWWZUUDENWFTSE-VIFPVBQESA-N 0 0 260.106 2.718 10 10 CFCERN Cc1ccc(C(=O)NC(=S)Nc2ccc(N)cc2)cc1 ZINC000167886862 188645216 /nfs/dbraw/zinc/64/52/16/188645216.db2.gz DMBOFEOUPUGZDX-UHFFFAOYSA-N 0 0 285.372 2.704 10 10 CFCERN CCOC(=O)CCCC(=O)c1ccc(C=S)cc1 ZINC000253533019 189994065 /nfs/dbraw/zinc/99/40/65/189994065.db2.gz IBIWMUVUYXABAM-UHFFFAOYSA-N 0 0 264.346 2.951 10 10 CFCERN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)c(O)c1O ZINC000182457753 381091084 /nfs/dbraw/zinc/09/10/84/381091084.db2.gz OMFINPVXLQNSDQ-GFCCVEGCSA-N 0 0 287.315 2.977 10 10 CFCERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(F)ccc1O ZINC000186097356 381822968 /nfs/dbraw/zinc/82/29/68/381822968.db2.gz XXJMAJVYLOFAOH-TVQRCGJNSA-N 0 0 290.342 2.617 10 10 CFCERN O=C1CCCc2ccc3c(c21)C(=O)c1cccc(O)c1C3=O ZINC000575418020 382770214 /nfs/dbraw/zinc/77/02/14/382770214.db2.gz RKIXDTKUNYZAFB-UHFFFAOYSA-N 0 0 292.290 2.687 10 10 CFCERN Nc1ccc(O[C@@H]2CCCC[C@]2(O)C(F)(F)F)cc1 ZINC000575433908 382770823 /nfs/dbraw/zinc/77/08/23/382770823.db2.gz UYEQDRKVZSWUJC-VXGBXAGGSA-N 0 0 275.270 2.884 10 10 CFCERN Brc1ccc(Sc2nccs2)nn1 ZINC000575465576 382772583 /nfs/dbraw/zinc/77/25/83/382772583.db2.gz PQIIUSLYNXYZJF-UHFFFAOYSA-N 0 0 274.168 2.847 10 10 CFCERN O=C(NCc1ccccc1)c1cc2ccc(O)c(=O)c-2c[nH]1 ZINC000006575044 170214631 /nfs/dbraw/zinc/21/46/31/170214631.db2.gz WFCYIYIPAWTFSM-UHFFFAOYSA-N 0 0 294.310 2.576 10 10 CFCERN COc1ccccc1[C@H]1CC(c2ccc(O)cc2)=NN1 ZINC000008496509 170338042 /nfs/dbraw/zinc/33/80/42/170338042.db2.gz RHNYDOHWRVRKEH-OAHLLOKOSA-N 0 0 268.316 2.840 10 10 CFCERN CC(=O)Nc1ccc(NC(=O)CCc2ccc(N)cc2)cc1 ZINC000020186799 171050935 /nfs/dbraw/zinc/05/09/35/171050935.db2.gz JVALUOKVCQOOEX-UHFFFAOYSA-N 0 0 297.358 2.799 10 10 CFCERN C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(N)cc1 ZINC000022217208 171375968 /nfs/dbraw/zinc/37/59/68/171375968.db2.gz DKHUQKAXOIGUDX-SNVBAGLBSA-N 0 0 274.295 2.814 10 10 CFCERN C[C@H](OCc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000022218920 171376640 /nfs/dbraw/zinc/37/66/40/171376640.db2.gz VDPPYQJJSBMLAQ-LBPRGKRZSA-N 0 0 270.332 2.813 10 10 CFCERN Cc1ccnc2[nH]c(-c3ccc(N(C)C)cc3)nc21 ZINC000028824604 171577028 /nfs/dbraw/zinc/57/70/28/171577028.db2.gz OJDDMMLMBHSAGO-UHFFFAOYSA-N 0 0 252.321 2.999 10 10 CFCERN C[C@@H](NC(=O)Cc1ccc(N)cc1)c1cccs1 ZINC000035736568 172389300 /nfs/dbraw/zinc/38/93/00/172389300.db2.gz ULICBDCNYOPRMP-SNVBAGLBSA-N 0 0 260.362 2.750 10 10 CFCERN Cc1cc(C(=O)N(C)[C@@H](C)c2ccccc2O)no1 ZINC000038089680 174103254 /nfs/dbraw/zinc/10/32/54/174103254.db2.gz OFNCGVDQWSFQGC-JTQLQIEISA-N 0 0 260.293 2.522 10 10 CFCERN N[C@H](c1cc(Br)ccc1O)C(F)(F)F ZINC000072195679 176338165 /nfs/dbraw/zinc/33/81/65/176338165.db2.gz OBMKPUYGXHSYMR-SSDOTTSWSA-N 0 0 270.048 2.717 10 10 CFCERN Nc1ccc(Oc2nccn(-c3ccccc3)c2=O)cc1 ZINC000073737203 176489755 /nfs/dbraw/zinc/48/97/55/176489755.db2.gz BFSFVPBGSGHRGI-UHFFFAOYSA-N 0 0 279.299 2.607 10 10 CFCERN C[C@@H](N[C@@H]1CCCn2ncnc21)c1ccc(N(C)C)cc1 ZINC000164682994 278372513 /nfs/dbraw/zinc/37/25/13/278372513.db2.gz WTBHCKAOTHRHJY-IUODEOHRSA-N 0 0 285.395 2.530 10 10 CFCERN CC(C)C[C@H](CN(C)C)[NH2+]Cc1cccc(F)c1[O-] ZINC000158718052 279133208 /nfs/dbraw/zinc/13/32/08/279133208.db2.gz UPKDGRGSAGIHFG-CYBMUJFWSA-N 0 0 268.376 2.597 10 10 CFCERN CCN(C)c1ccc([C@H](C)N[C@@H]2CCCn3ncnc32)cc1 ZINC000164671053 520290057 /nfs/dbraw/zinc/29/00/57/520290057.db2.gz VOIZOVZGFGALLM-XJKSGUPXSA-N 0 0 299.422 2.920 10 10 CFCERN CCc1cnc(C[NH2+]Cc2cccc(F)c2[O-])s1 ZINC000226612963 522035916 /nfs/dbraw/zinc/03/59/16/522035916.db2.gz DFLILWIAPPOCNP-UHFFFAOYSA-N 0 0 266.341 2.840 10 10 CFCERN CCc1nnc(NCc2ccc(N(C)C)cc2C)nc1CC ZINC000302727808 522777822 /nfs/dbraw/zinc/77/78/22/522777822.db2.gz KNPSJLSWHZDLJR-UHFFFAOYSA-N 0 0 299.422 2.983 10 10 CFCERN C[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000191394095 525556738 /nfs/dbraw/zinc/55/67/38/525556738.db2.gz MBSDLZCLGGORAW-XJKSGUPXSA-N 0 0 290.407 2.526 10 10 CFCERN C[C@@]1(C[NH2+]Cc2cccc(F)c2[O-])CCCS1 ZINC000158815047 525847960 /nfs/dbraw/zinc/84/79/60/525847960.db2.gz YRAXKQWWBUVUES-ZDUSSCGKSA-N 0 0 255.358 2.907 10 10 CFCERN Clc1nc(Sc2nccs2)nc(N2CCCC2)n1 ZINC000061544202 527007502 /nfs/dbraw/zinc/00/75/02/527007502.db2.gz BYSQQUVXODXZHF-UHFFFAOYSA-N 0 0 299.812 2.733 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]CCc1ccc(O)cc1 ZINC000083445921 618023431 /nfs/dbraw/zinc/02/34/31/618023431.db2.gz HZCRCUSIZIGBCF-UHFFFAOYSA-N 0 0 261.296 2.569 10 10 CFCERN Cc1csc(CC[NH2+]Cc2cccc(F)c2[O-])n1 ZINC000158766389 618196677 /nfs/dbraw/zinc/19/66/77/618196677.db2.gz LQKHLJCPKPUEEA-UHFFFAOYSA-N 0 0 266.341 2.629 10 10 CFCERN CC(C)[C@@H]([NH3+])c1cc(Br)cc(F)c1[O-] ZINC000095716516 618288089 /nfs/dbraw/zinc/28/80/89/618288089.db2.gz JWZFXBNBDNVFFF-SECBINFHSA-N 0 0 262.122 2.950 10 10 CFCERN O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc(F)c1[O-] ZINC000165036106 622979236 /nfs/dbraw/zinc/97/92/36/622979236.db2.gz TUUMMZAPRRWXDL-UHFFFAOYSA-N 0 0 276.267 2.729 10 10 CFCERN Oc1c(F)cccc1CNc1ccc2c(c1)OCO2 ZINC000083443551 625850552 /nfs/dbraw/zinc/85/05/52/625850552.db2.gz AXNPBMDFANHXEO-UHFFFAOYSA-N 0 0 261.252 2.872 10 10 CFCERN CCOc1ncccc1NCc1cccc(F)c1O ZINC000158703961 650234283 /nfs/dbraw/zinc/23/42/83/650234283.db2.gz AEDLSHVAYZNWGE-UHFFFAOYSA-N 0 0 262.284 2.937 10 10 CFCERN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000159697289 650272912 /nfs/dbraw/zinc/27/29/12/650272912.db2.gz AUWPNYANEUDCAG-WFASDCNBSA-N 0 0 277.364 2.698 10 10 CFCERN CN(C)c1ccc(/C=C2\SC(=S)N(C)C2=O)s1 ZINC000026570577 282280575 /nfs/dbraw/zinc/28/05/75/282280575.db2.gz ZQJKSDYZGVLQCC-VURMDHGXSA-N 0 0 284.431 2.645 10 10 CFCERN Nc1nc(N)c(/N=N/c2cccc3ccccc32)c(N)n1 ZINC000017047253 346239306 /nfs/dbraw/zinc/23/93/06/346239306.db2.gz BTBSDCCFSQASMG-QZQOTICOSA-N 0 0 279.307 2.792 10 10 CFCERN Cc1nn(C(C)C)cc1NCc1ccc(O)c(O)c1 ZINC000725242636 539556282 /nfs/dbraw/zinc/55/62/82/539556282.db2.gz PFOSUFVXARVVMY-UHFFFAOYSA-N 0 0 261.325 2.796 10 10 CFCERN COc1ccc(CN(CCc2ccc(N)cc2)C(C)=O)cc1 ZINC000145227259 347942737 /nfs/dbraw/zinc/94/27/37/347942737.db2.gz LCNPYWCIWIHHHB-UHFFFAOYSA-N 0 0 298.386 2.869 10 10 CFCERN Oc1cc(Br)c(C(F)(F)F)cc1O ZINC000218247204 348166323 /nfs/dbraw/zinc/16/63/23/348166323.db2.gz BSAVDHOUBIGQTK-UHFFFAOYSA-N 0 0 257.005 2.879 10 10 CFCERN [O-]c1c(Br)c(F)ccc1[C@@H]1CCC[NH2+]1 ZINC000238709405 348248603 /nfs/dbraw/zinc/24/86/03/348248603.db2.gz YJOZOFDOMHRYFM-QMMMGPOBSA-N 0 0 260.106 2.718 10 10 CFCERN CCOC(=O)/N=N/C(=O)Nc1ccc(OC)cc1 ZINC000584603122 348686474 /nfs/dbraw/zinc/68/64/74/348686474.db2.gz VSJCAWAUQUQSLC-BUHFOSPRSA-N 0 0 251.242 2.836 10 10 CFCERN Cc1nc(Cc2noc(C3SC=CC3=O)n2)cs1 ZINC000104425943 185998077 /nfs/dbraw/zinc/99/80/77/185998077.db2.gz CVTHHPOAEXLHJG-UHFFFAOYSA-N 0 0 279.346 2.859 10 10 CFCERN OCCc1ccccc1[C@@H]1CNc2ccccc2N1 ZINC000616690503 352414698 /nfs/dbraw/zinc/41/46/98/352414698.db2.gz OEBRYMFXRNNVBC-INIZCTEOSA-N 0 0 254.333 2.800 10 10 CFCERN COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1cccc(Cl)c1 ZINC000005862768 283741284 /nfs/dbraw/zinc/74/12/84/283741284.db2.gz NCLMMOHHVHFTQW-XYOKQWHBSA-N 0 0 291.734 2.642 10 10 CFCERN CCc1nnc(CN(C)c2ccc(OC)c(Cl)c2)n1C ZINC000177070621 380300578 /nfs/dbraw/zinc/30/05/78/380300578.db2.gz XGWVIFOEDFWDNV-UHFFFAOYSA-N 0 0 294.786 2.676 10 10 CFCERN COc1cccc([C@@H]2CC(c3cccs3)=NN2)c1O ZINC000006762340 170241636 /nfs/dbraw/zinc/24/16/36/170241636.db2.gz ZBVXJMUVVGGRFW-JTQLQIEISA-N 0 0 274.345 2.901 10 10 CFCERN COc1ccc(C2=NN[C@H](c3ccccc3OC)C2)c(O)c1 ZINC000008472963 170336798 /nfs/dbraw/zinc/33/67/98/170336798.db2.gz XCGOEVMZLLBWID-HNNXBMFYSA-N 0 0 298.342 2.848 10 10 CFCERN CC1(C)OC(=O)C(C=Nc2cccc3ccccc32)C(=O)O1 ZINC000010121459 170398193 /nfs/dbraw/zinc/39/81/93/170398193.db2.gz ZWBDCYIEHMDFOU-UHFFFAOYSA-N 0 0 297.310 2.972 10 10 CFCERN Oc1ccc(CNc2ccc(F)c(F)c2)cc1O ZINC000019918123 170926768 /nfs/dbraw/zinc/92/67/68/170926768.db2.gz NKNGWBZSSZYCHY-UHFFFAOYSA-N 0 0 251.232 2.988 10 10 CFCERN C[C@H](Oc1ccc(N)cc1)C(=O)Nc1ccccc1 ZINC000020388118 171177669 /nfs/dbraw/zinc/17/76/69/171177669.db2.gz ONYCYPILYKTARP-NSHDSACASA-N 0 0 256.305 2.675 10 10 CFCERN COc1cccc([C@H]2CC(c3ccc(C)o3)=NN2)c1O ZINC000020390678 171179318 /nfs/dbraw/zinc/17/93/18/171179318.db2.gz PTYHBPCJSBEMLT-LLVKDONJSA-N 0 0 272.304 2.741 10 10 CFCERN COc1ccc(O)c([C@H]2CC(c3ccc(C)o3)=NN2)c1 ZINC000020390647 171179834 /nfs/dbraw/zinc/17/98/34/171179834.db2.gz MQWPGVUNYQHXQJ-GFCCVEGCSA-N 0 0 272.304 2.741 10 10 CFCERN Nc1ccc(CN(C(=O)c2ccco2)C2CC2)cc1 ZINC000035365924 172156243 /nfs/dbraw/zinc/15/62/43/172156243.db2.gz DDTJUPBUTMZBAM-UHFFFAOYSA-N 0 0 256.305 2.667 10 10 CFCERN C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)c1cccs1 ZINC000035736641 172389761 /nfs/dbraw/zinc/38/97/61/172389761.db2.gz IODUJBROPMZWKQ-SNVBAGLBSA-N 0 0 296.417 2.511 10 10 CFCERN CC[C@H]1CCCCN1C(=O)CCc1ccc(N)cc1 ZINC000037222805 173042822 /nfs/dbraw/zinc/04/28/22/173042822.db2.gz KSCKYACKVWNLSL-HNNXBMFYSA-N 0 0 260.381 2.993 10 10 CFCERN Cc1ccc(CN(C)C(=O)CCc2ccc(N)cc2)o1 ZINC000038051699 174063307 /nfs/dbraw/zinc/06/33/07/174063307.db2.gz PVJVDNAKEDQUFI-UHFFFAOYSA-N 0 0 272.348 2.761 10 10 CFCERN CC(C)CC[C@H](C)NC(=O)COc1ccc(N)cc1 ZINC000038055429 174067000 /nfs/dbraw/zinc/06/70/00/174067000.db2.gz XPIWQSPNLQGMAG-LBPRGKRZSA-N 0 0 264.369 2.589 10 10 CFCERN C[C@H](c1ccccc1O)N(C)C(=O)CC(F)(F)F ZINC000038089497 174103414 /nfs/dbraw/zinc/10/34/14/174103414.db2.gz URBVHLKVLIDGND-MRVPVSSYSA-N 0 0 261.243 2.864 10 10 CFCERN COc1ccc(NCc2cccc(O)c2O)cc1F ZINC000041116805 174484522 /nfs/dbraw/zinc/48/45/22/174484522.db2.gz JDOCOSPZQRYAAY-UHFFFAOYSA-N 0 0 263.268 2.858 10 10 CFCERN O=S(=O)(CC1CCCCC1)Nc1ccc(O)cc1 ZINC000042520738 174772040 /nfs/dbraw/zinc/77/20/40/174772040.db2.gz UAPFFTQDGIMGND-UHFFFAOYSA-N 0 0 269.366 2.714 10 10 CFCERN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1[O-] ZINC000183137837 273495840 /nfs/dbraw/zinc/49/58/40/273495840.db2.gz CSQRNTYRHVQZJO-XPTSAGLGSA-N 0 0 297.782 2.905 10 10 CFCERN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1[O-] ZINC000183137869 518277840 /nfs/dbraw/zinc/27/78/40/518277840.db2.gz CSQRNTYRHVQZJO-LKFCYVNXSA-N 0 0 297.782 2.905 10 10 CFCERN COCCn1cc(N[C@H](C)c2ccc(C)cc2O)cn1 ZINC000037090273 522111010 /nfs/dbraw/zinc/11/10/10/522111010.db2.gz UGYBGBBLUZLOBJ-GFCCVEGCSA-N 0 0 275.352 2.717 10 10 CFCERN C[C@H](C[NH2+]Cc1cccc(F)c1[O-])c1nccs1 ZINC000230694714 524488468 /nfs/dbraw/zinc/48/84/68/524488468.db2.gz UDIGMWJEKDJWOF-SECBINFHSA-N 0 0 266.341 2.881 10 10 CFCERN C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1[O-] ZINC000085963762 525387335 /nfs/dbraw/zinc/38/73/35/525387335.db2.gz OIFLUSBCTXJPHB-MJVIPROJSA-N 0 0 267.344 2.733 10 10 CFCERN Cc1nccc(N(Cc2ccc(N)cc2)C2CC2)n1 ZINC000054936952 527344557 /nfs/dbraw/zinc/34/45/57/527344557.db2.gz DKNSCUJMLKBPCX-UHFFFAOYSA-N 0 0 254.337 2.536 10 10 CFCERN Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)CC2 ZINC000000968072 560180224 /nfs/dbraw/zinc/18/02/24/560180224.db2.gz GWCPBEMISACTHQ-AWEZNQCLSA-N 0 0 274.272 2.575 10 10 in-vitro CFCERN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000178103902 618624172 /nfs/dbraw/zinc/62/41/72/618624172.db2.gz WYJIKXNEVCPFDS-BBRMVZONSA-N 0 0 290.407 2.717 10 10 CFCERN CCN(CC)c1ccc(C=C2NC(=O)NC2=S)cc1 ZINC000056695748 622986513 /nfs/dbraw/zinc/98/65/13/622986513.db2.gz CMHQMNNUOBYHLZ-XFXZXTDPSA-N 0 0 275.377 2.514 10 10 CFCERN CS[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000226612675 623085062 /nfs/dbraw/zinc/08/50/62/623085062.db2.gz YIEIUGWBCPRPEL-GHMZBOCLSA-N 0 0 255.358 2.905 10 10 CFCERN C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000062747911 623296217 /nfs/dbraw/zinc/29/62/17/623296217.db2.gz KTATZVVCVJICCA-JQWIXIFHSA-N 0 0 253.317 2.751 10 10 CFCERN COC(=O)[C@@H]1CCCCN1Cc1cc(Cl)ccc1O ZINC000122286407 638979027 /nfs/dbraw/zinc/97/90/27/638979027.db2.gz JKSAZXRSDOKBKU-LBPRGKRZSA-N 0 0 283.755 2.573 10 10 CFCERN C[C@@H]1C[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000052275731 346518307 /nfs/dbraw/zinc/51/83/07/346518307.db2.gz XEVJSIZXRADBQE-GMSGAONNSA-N 0 0 256.143 2.653 10 10 CFCERN OCCc1ccccc1[C@H]1CNc2ccccc2N1 ZINC000616680660 352410197 /nfs/dbraw/zinc/41/01/97/352410197.db2.gz OEBRYMFXRNNVBC-MRXNPFEDSA-N 0 0 254.333 2.800 10 10 CFCERN OCCc1ccc([C@@H]2CNc3ccccc3N2)cc1 ZINC000616689323 352414575 /nfs/dbraw/zinc/41/45/75/352414575.db2.gz BJIQRMXRSRJSBN-INIZCTEOSA-N 0 0 254.333 2.800 10 10 CFCERN Cc1ccc(O)c(CN2CCO[C@@H](c3nccs3)C2)c1 ZINC000092831845 375163045 /nfs/dbraw/zinc/16/30/45/375163045.db2.gz QNHZOLXMCGUMPJ-CQSZACIVSA-N 0 0 290.388 2.731 10 10 CFCERN C[NH+](C)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000134163926 377989830 /nfs/dbraw/zinc/98/98/30/377989830.db2.gz JYFVYRHMXAHORY-NSHDSACASA-N 0 0 289.206 2.835 10 10 CFCERN CC(=O)c1cc(Cl)cc(CN2[C@@H](C)COC[C@@H]2C)c1O ZINC000177288443 380326143 /nfs/dbraw/zinc/32/61/43/380326143.db2.gz FUQUCZYQANKGLB-UWVGGRQHSA-N 0 0 297.782 2.857 10 10 CFCERN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCO[C@@H]1C ZINC000189366823 382599300 /nfs/dbraw/zinc/59/93/00/382599300.db2.gz PUSUXAMPBCUNCA-HIFRSBDPSA-N 0 0 291.391 2.946 10 10 CFCERN Nc1ccc(O[C@H]2CCCC[C@]2(O)C(F)(F)F)cc1 ZINC000575433906 382770914 /nfs/dbraw/zinc/77/09/14/382770914.db2.gz UYEQDRKVZSWUJC-NWDGAFQWSA-N 0 0 275.270 2.884 10 10 CFCERN COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000194582268 382749159 /nfs/dbraw/zinc/74/91/59/382749159.db2.gz PEVUKBFMUXLZQP-AWEZNQCLSA-N 0 0 277.364 2.537 10 10 CFCERN COCc1[n-]n(C)c(=O)c1N=Nc1ccc(C)cc1 ZINC000254492334 383468266 /nfs/dbraw/zinc/46/82/66/383468266.db2.gz LCQYFMGLGCTYJK-UHFFFAOYSA-N 0 0 260.297 2.996 10 10 CFCERN S=C(NCc1ccco1)N1CCc2ccccc2C1 ZINC000013839388 170603947 /nfs/dbraw/zinc/60/39/47/170603947.db2.gz QYRALXAKUHJOEE-UHFFFAOYSA-N 0 0 272.373 2.712 10 10 CFCERN Cc1nn(C)c(C)c1N[C@@H](C)c1cc(O)ccc1O ZINC000020135142 171022463 /nfs/dbraw/zinc/02/24/63/171022463.db2.gz TVFMAPPEDXCNHT-QMMMGPOBSA-N 0 0 261.325 2.621 10 10 CFCERN C[C@H]1[C@H](NC(=O)Cc2ccc(N)cc2)CCC[C@@H]1C ZINC000022171066 171368080 /nfs/dbraw/zinc/36/80/80/171368080.db2.gz MGCQCVMYBFQENC-YWPYICTPSA-N 0 0 260.381 2.752 10 10 CFCERN COc1ccc(OCCC(=O)Nc2ccc(N)cc2)cc1 ZINC000022212022 171374082 /nfs/dbraw/zinc/37/40/82/171374082.db2.gz SRHJFOCMSKBQMJ-UHFFFAOYSA-N 0 0 286.331 2.685 10 10 CFCERN Nc1ccc(Nc2nccc(-c3ccncc3)n2)cc1 ZINC000026650568 171495088 /nfs/dbraw/zinc/49/50/88/171495088.db2.gz WCFVDHIMOUTJKQ-UHFFFAOYSA-N 0 0 263.304 2.864 10 10 CFCERN Nc1ccc(CCNC(=O)CCc2ccccc2)cc1 ZINC000032116090 171708957 /nfs/dbraw/zinc/70/89/57/171708957.db2.gz GGPRFEJLGUMOTO-UHFFFAOYSA-N 0 0 268.360 2.560 10 10 CFCERN C[C@@H](NC(=O)CCc1ccc(N)cc1)c1ccco1 ZINC000035739898 172393763 /nfs/dbraw/zinc/39/37/63/172393763.db2.gz VPKGTLYJZPHBAK-LLVKDONJSA-N 0 0 258.321 2.672 10 10 CFCERN COc1ccc(NCc2ccc(O)c(O)c2)cc1F ZINC000037290462 173095684 /nfs/dbraw/zinc/09/56/84/173095684.db2.gz BHWCXYPQLSFXFM-UHFFFAOYSA-N 0 0 263.268 2.858 10 10 CFCERN Nc1ccc(OCCCn2cc(Cl)cn2)cc1 ZINC000038053311 174064490 /nfs/dbraw/zinc/06/44/90/174064490.db2.gz ZLUIMIFPHGXLGP-UHFFFAOYSA-N 0 0 251.717 2.588 10 10 CFCERN C[C@H](c1ccccc1O)N(C)S(=O)(=O)c1cccs1 ZINC000038089847 174103084 /nfs/dbraw/zinc/10/30/84/174103084.db2.gz NBCLYACCSXGWFN-SNVBAGLBSA-N 0 0 297.401 2.835 10 10 CFCERN COc1ccc([C@H]2CC(c3ccc(O)cc3)=NN2)cc1OC ZINC000038223196 174137756 /nfs/dbraw/zinc/13/77/56/174137756.db2.gz XQRNSOVIBVNYGU-OAHLLOKOSA-N 0 0 298.342 2.848 10 10 CFCERN C[C@H](Oc1ccc(N)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000040354222 174245567 /nfs/dbraw/zinc/24/55/67/174245567.db2.gz BWOQCHFKXCNHFJ-JTQLQIEISA-N 0 0 285.299 2.648 10 10 CFCERN Oc1cccc(CNc2c(F)cccc2F)c1O ZINC000041116751 174484731 /nfs/dbraw/zinc/48/47/31/174484731.db2.gz JGBXPGVBCBOYJH-UHFFFAOYSA-N 0 0 251.232 2.988 10 10 CFCERN CC(C)Oc1cc(NCCc2ccc(N)cc2)ncn1 ZINC000090786090 260261483 /nfs/dbraw/zinc/26/14/83/260261483.db2.gz CTBBWWOVZRUZLM-UHFFFAOYSA-N 0 0 272.352 2.501 10 10 CFCERN Cc1noc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3C)n1 ZINC000038034412 326869068 /nfs/dbraw/zinc/86/90/68/326869068.db2.gz REROKYUAWYFSMW-ONGXEEELSA-N 0 0 273.336 2.730 10 10 CFCERN CC[N@@H+](Cc1cccc(F)c1[O-])C[C@@H]1CCCO1 ZINC000160206514 521348691 /nfs/dbraw/zinc/34/86/91/521348691.db2.gz WKUSIOWAMLJJNY-LBPRGKRZSA-N 0 0 253.317 2.532 10 10 CFCERN COCCn1cc(N[C@@H](C)c2ccc(F)cc2O)cn1 ZINC000062747442 522109948 /nfs/dbraw/zinc/10/99/48/522109948.db2.gz SWYFJNUUZSXGEV-JTQLQIEISA-N 0 0 279.315 2.547 10 10 CFCERN COc1cc(F)ccc1NCc1ccc(O)cc1O ZINC000049563748 522615103 /nfs/dbraw/zinc/61/51/03/522615103.db2.gz FHZFOQHMPAEGRW-UHFFFAOYSA-N 0 0 263.268 2.858 10 10 CFCERN CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cccc(F)c1[O-] ZINC000160192158 523351802 /nfs/dbraw/zinc/35/18/02/523351802.db2.gz CPKZDBIBJSLEHA-PWSUYJOCSA-N 0 0 253.317 2.531 10 10 CFCERN COc1cccc(CC[NH2+]Cc2cccc(F)c2[O-])c1 ZINC000226585136 525900233 /nfs/dbraw/zinc/90/02/33/525900233.db2.gz TZKSNZSNNABZJB-UHFFFAOYSA-N 0 0 275.323 2.872 10 10 CFCERN Oc1ccc(F)cc1CNCC(F)(F)C(F)F ZINC000191765782 526349192 /nfs/dbraw/zinc/34/91/92/526349192.db2.gz ZNOBQXYTUGLZFC-UHFFFAOYSA-N 0 0 255.186 2.521 10 10 CFCERN Cc1nccc(N(Cc2ccc(N)cc2)C(C)C)n1 ZINC000054936942 527343546 /nfs/dbraw/zinc/34/35/46/527343546.db2.gz HIQPKWYTVBTARU-UHFFFAOYSA-N 0 0 256.353 2.782 10 10 CFCERN CCOC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000313466674 618990053 /nfs/dbraw/zinc/99/00/53/618990053.db2.gz FTZLPUPHQQOLKZ-ZDUSSCGKSA-N 0 0 267.344 2.922 10 10 CFCERN CS[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000226612682 619153054 /nfs/dbraw/zinc/15/30/54/619153054.db2.gz YIEIUGWBCPRPEL-MNOVXSKESA-N 0 0 255.358 2.905 10 10 CFCERN C[C@@H](C[NH2+]Cc1cccc(F)c1[O-])NC(=O)OC(C)(C)C ZINC000227680660 623116174 /nfs/dbraw/zinc/11/61/74/623116174.db2.gz RWOSWKAYUMQOJH-JTQLQIEISA-N 0 0 298.358 2.534 10 10 CFCERN CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000062747962 623296184 /nfs/dbraw/zinc/29/61/84/623296184.db2.gz GMMYFTZUSHMYHC-WCQYABFASA-N 0 0 266.360 2.666 10 10 CFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000075978540 625210694 /nfs/dbraw/zinc/21/06/94/625210694.db2.gz KEXJHQJESYUWIY-DOMZBBRYSA-N 0 0 275.396 2.740 10 10 CFCERN Cc1ccccc1[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000040312056 649984078 /nfs/dbraw/zinc/98/40/78/649984078.db2.gz ILQLRVYITWKZOJ-ZDUSSCGKSA-N 0 0 268.360 2.997 10 10 CFCERN CN(C)c1ccc(/C=C\C(=O)NC2CCCC2)cc1 ZINC000095935916 185034356 /nfs/dbraw/zinc/03/43/56/185034356.db2.gz BTQRRNVQZURLJF-XFXZXTDPSA-N 0 0 258.365 2.825 10 10 CFCERN COc1ccc(C(=O)Nc2cccc(N(C)C)c2)c(N)c1 ZINC000082698868 178199818 /nfs/dbraw/zinc/19/98/18/178199818.db2.gz LPKPEYHLEYETGS-UHFFFAOYSA-N 0 0 285.347 2.596 10 10 CFCERN [O-]c1c(Br)cccc1[C@H]1CCCC[NH2+]1 ZINC000096884318 185120546 /nfs/dbraw/zinc/12/05/46/185120546.db2.gz OLICCICJCCGFIG-SNVBAGLBSA-N 0 0 256.143 2.969 10 10 CFCERN CC(C)N1C(=O)[C@H](c2ccccc2)SC1=S ZINC000169401164 348051671 /nfs/dbraw/zinc/05/16/71/348051671.db2.gz ZPKATSVVBMJASI-JTQLQIEISA-N 0 0 251.376 2.996 10 10 CFCERN [NH3+][C@H](CF)c1cc(Br)cc(Cl)c1[O-] ZINC000238683694 348248645 /nfs/dbraw/zinc/24/86/45/348248645.db2.gz QZXONQXXBMOJME-SSDOTTSWSA-N 0 0 268.513 2.777 10 10 CFCERN CC(=O)c1ccc(C(=O)Nc2ccc(N)cc2)cc1 ZINC000236658339 348236078 /nfs/dbraw/zinc/23/60/78/348236078.db2.gz CWLHHVGDAFZUBV-UHFFFAOYSA-N 0 0 254.289 2.724 10 10 CFCERN O=C(CCc1ccccc1)C(=O)C(=O)OCc1ccccc1 ZINC000584595842 348683768 /nfs/dbraw/zinc/68/37/68/348683768.db2.gz CWICMCWUHIEYPD-UHFFFAOYSA-N 0 0 296.322 2.501 10 10 CFCERN CCCCc1ccccc1N=Nc1c(N)nc(N)nc1N ZINC000584623149 348693629 /nfs/dbraw/zinc/69/36/29/348693629.db2.gz GNNFFQUJKCINKO-QZQOTICOSA-N 0 0 285.355 2.642 10 10 CFCERN Cc1cccc(-c2n[nH]c(Cc3ccc(N)cc3)n2)c1 ZINC000072236640 374236356 /nfs/dbraw/zinc/23/63/56/374236356.db2.gz LAVRGVSUPZQFFG-UHFFFAOYSA-N 0 0 264.332 2.953 10 10 CFCERN [NH3+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1[O-] ZINC000575340287 382759340 /nfs/dbraw/zinc/75/93/40/382759340.db2.gz WXFOKADPITZUNT-UHFFFAOYSA-N 0 0 259.149 2.889 10 10 CFCERN COc1ccc(C2=NN[C@@H](c3cccc(OC)c3O)C2)cc1 ZINC000006736498 170236472 /nfs/dbraw/zinc/23/64/72/170236472.db2.gz WUSDLASJMZMMEW-OAHLLOKOSA-N 0 0 298.342 2.848 10 10 CFCERN COc1ccc(C2=NN[C@@H](c3cccs3)C2)c(O)c1 ZINC000008472988 170336907 /nfs/dbraw/zinc/33/69/07/170336907.db2.gz YGRUPLWINOTYGS-GFCCVEGCSA-N 0 0 274.345 2.901 10 10 CFCERN COc1ccc(N[C@@H](C)c2ccc(O)cc2O)cn1 ZINC000019877756 170906179 /nfs/dbraw/zinc/90/61/79/170906179.db2.gz GABSIBTYZBQOBE-VIFPVBQESA-N 0 0 260.293 2.675 10 10 CFCERN Nc1ccc(CCC(=O)N2CCc3ccccc32)cc1 ZINC000020186698 171050783 /nfs/dbraw/zinc/05/07/83/171050783.db2.gz GYTXUIDGDRTLTC-UHFFFAOYSA-N 0 0 266.344 2.791 10 10 CFCERN Cc1ccc(/C=C2/SC(N3CCCC3)=NC2=O)o1 ZINC000020289308 171133537 /nfs/dbraw/zinc/13/35/37/171133537.db2.gz KIGDFHPGEXNLLR-DHZHZOJOSA-N 0 0 262.334 2.654 10 10 CFCERN Nc1ccc(Nc2nccc(-c3ccccn3)n2)cc1 ZINC000026649078 171494615 /nfs/dbraw/zinc/49/46/15/171494615.db2.gz CDGBLXFKWDGWLW-UHFFFAOYSA-N 0 0 263.304 2.864 10 10 CFCERN Nc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000032121349 171712486 /nfs/dbraw/zinc/71/24/86/171712486.db2.gz IWVFEYQMARGFOZ-UHFFFAOYSA-N 0 0 274.751 2.895 10 10 CFCERN O=C(CSc1nccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000033730526 171819289 /nfs/dbraw/zinc/81/92/89/171819289.db2.gz KRIQOUXVCRPVAC-UHFFFAOYSA-N 0 0 295.345 2.782 10 10 CFCERN COC(=O)[C@@H](N[C@@H](C)c1ccc(C)cc1O)C(C)C ZINC000035346206 172138451 /nfs/dbraw/zinc/13/84/51/172138451.db2.gz BXGUKZMAWGTGKU-FZMZJTMJSA-N 0 0 265.353 2.549 10 10 CFCERN CC(C)[C@H](C)N(C)c1cc2c(cc1N)OCCO2 ZINC000036787088 172705549 /nfs/dbraw/zinc/70/55/49/172705549.db2.gz NEKURCOLALWEKE-JTQLQIEISA-N 0 0 250.342 2.521 10 10 CFCERN CCC[C@H](C)N(C)c1cc2c(cc1N)OCCO2 ZINC000036790133 172709938 /nfs/dbraw/zinc/70/99/38/172709938.db2.gz WFBJMCIPZBIFBN-JTQLQIEISA-N 0 0 250.342 2.665 10 10 CFCERN Nc1ccc(OCc2nc(-c3ccsc3)no2)cc1 ZINC000038055528 174067077 /nfs/dbraw/zinc/06/70/77/174067077.db2.gz LWXLTWJGVCSCLB-UHFFFAOYSA-N 0 0 273.317 2.959 10 10 CFCERN CCOC(=O)c1ccoc1COc1ccc(N)cc1 ZINC000038055415 174067143 /nfs/dbraw/zinc/06/71/43/174067143.db2.gz OVOGGYHZHTZIOD-UHFFFAOYSA-N 0 0 261.277 2.618 10 10 CFCERN C[C@@H](c1ccccc1O)N(C)C(=O)c1cccnc1 ZINC000038089422 174102633 /nfs/dbraw/zinc/10/26/33/174102633.db2.gz OUWLGDZVEBQLOD-NSHDSACASA-N 0 0 256.305 2.620 10 10 CFCERN Cc1cccc(S(=O)(=O)Cc2ccc(N)cc2)c1 ZINC000040696385 174378248 /nfs/dbraw/zinc/37/82/48/174378248.db2.gz OJSBZXKGYJYHMG-UHFFFAOYSA-N 0 0 261.346 2.551 10 10 CFCERN O=[N+]([O-])c1cccc(NCc2cccc(O)c2O)c1 ZINC000041117234 174484625 /nfs/dbraw/zinc/48/46/25/174484625.db2.gz WEKVTXYBLYBZSK-UHFFFAOYSA-N 0 0 260.249 2.618 10 10 CFCERN CCOc1cccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)c1 ZINC000041078292 279968334 /nfs/dbraw/zinc/96/83/34/279968334.db2.gz GDKGNJBDPJWVCB-YEIVOSTPSA-N 0 0 297.314 2.536 10 10 CFCERN Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000186096461 302678468 /nfs/dbraw/zinc/67/84/68/302678468.db2.gz SRGPXHHMTRUNDK-NOZJJQNGSA-N 0 0 290.342 2.617 10 10 CFCERN CC(C)CCOCC[NH2+]Cc1cccc(F)c1[O-] ZINC000158749474 519668794 /nfs/dbraw/zinc/66/87/94/519668794.db2.gz NAXNLBLQLIYTLV-UHFFFAOYSA-N 0 0 255.333 2.684 10 10 CFCERN COc1ccc(O)c([C@H](C)Nc2cccnc2OC)c1 ZINC000037070640 524775026 /nfs/dbraw/zinc/77/50/26/524775026.db2.gz QMFCAYMPGBARBL-JTQLQIEISA-N 0 0 274.320 2.978 10 10 CFCERN C[C@]1(C[NH2+]Cc2cccc(F)c2[O-])CCCS1 ZINC000158814929 525266317 /nfs/dbraw/zinc/26/63/17/525266317.db2.gz YRAXKQWWBUVUES-CYBMUJFWSA-N 0 0 255.358 2.907 10 10 CFCERN CCCC1=NN2C(=NC(=O)/C(=C/c3cccnc3)C2=N)S1 ZINC000222375657 622956263 /nfs/dbraw/zinc/95/62/63/622956263.db2.gz SNYRYPZZJVOMRL-UXSUIVTHSA-N 0 0 299.359 2.501 10 10 CFCERN COC(=O)[C@@H](NCc1cccc(F)c1O)c1ccccc1 ZINC000165036796 622979674 /nfs/dbraw/zinc/97/96/74/622979674.db2.gz VCYWGYYXVZPVSS-AWEZNQCLSA-N 0 0 289.306 2.535 10 10 CFCERN C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(F)c(F)c1 ZINC000186758696 626398623 /nfs/dbraw/zinc/39/86/23/626398623.db2.gz MJCRNBYQDMDFTM-MRVPVSSYSA-N 0 0 293.269 2.867 10 10 CFCERN COc1ccc(O)c(CNC(=O)N[C@H](C)C(C)(C)C)c1 ZINC000114599219 635848766 /nfs/dbraw/zinc/84/87/66/635848766.db2.gz WVYIHIBKNOEXJC-SNVBAGLBSA-N 0 0 280.368 2.635 10 10 CFCERN CC(C)(C)OC(=O)N1CC[C@H]1Cc1ccc(N)cc1 ZINC000218473924 348166531 /nfs/dbraw/zinc/16/65/31/348166531.db2.gz NSRBBQDDXQCXIV-ZDUSSCGKSA-N 0 0 262.353 2.821 10 10 CFCERN [O-]c1c(Br)cc(Cl)cc1[C@H]1CC[NH2+]1 ZINC000238710264 348248678 /nfs/dbraw/zinc/24/86/78/348248678.db2.gz DAADPWYCSMQZSD-MRVPVSSYSA-N 0 0 262.534 2.843 10 10 CFCERN [NH3+][C@@H](CF)c1c([O-])c(Cl)ccc1Br ZINC000306744606 348391877 /nfs/dbraw/zinc/39/18/77/348391877.db2.gz YGPBODPPVXCEDV-LURJTMIESA-N 0 0 268.513 2.777 10 10 CFCERN CN1Cc2cn(CO)c3nccc(c23)-c2cc(F)ccc21 ZINC000584636372 348698167 /nfs/dbraw/zinc/69/81/67/348698167.db2.gz QDGGOGABNCXIRW-UHFFFAOYSA-N 0 0 283.306 2.742 10 10 CFCERN COC(=O)C(=Cc1ccc(NC(C)=O)cc1C)N=[N+]=[N-] ZINC000584653781 348702636 /nfs/dbraw/zinc/70/26/36/348702636.db2.gz QDTGHTNSAPGSKV-GHXNOFRVSA-N 0 0 274.280 2.778 10 10 CFCERN OCCN(CCO)c1ccc(/C=C/c2cccs2)cc1 ZINC000090740948 180035153 /nfs/dbraw/zinc/03/51/53/180035153.db2.gz CJWSQPNOUCHOPZ-VMPITWQZSA-N 0 0 289.400 2.710 10 10 CFCERN COc1ccc(C2=NN[C@@H](c3cc(OC)ccc3O)C2)cc1 ZINC000000568187 371640490 /nfs/dbraw/zinc/64/04/90/371640490.db2.gz HUOAWAHKGFNDOJ-MRXNPFEDSA-N 0 0 298.342 2.848 10 10 CFCERN Nc1ccc(NC(=O)CCOCC(F)(F)C(F)F)cc1 ZINC000034958329 372521876 /nfs/dbraw/zinc/52/18/76/372521876.db2.gz BHGBDMRGWNEFAM-UHFFFAOYSA-N 0 0 294.248 2.514 10 10 CFCERN [O-]c1c(Cl)cccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000124576908 377065731 /nfs/dbraw/zinc/06/57/31/377065731.db2.gz HNTOAGXODLBEIA-CYBMUJFWSA-N 0 0 280.799 2.716 10 10 CFCERN Cc1cccc(C(=O)NC(=S)Nc2ccc(N)cc2)c1 ZINC000168242854 379084765 /nfs/dbraw/zinc/08/47/65/379084765.db2.gz PIALQAKVUARPEG-UHFFFAOYSA-N 0 0 285.372 2.704 10 10 CFCERN CC(=O)c1cc(Cl)cc(CN2CCC[C@H](O)[C@H]2C)c1O ZINC000296374065 381367948 /nfs/dbraw/zinc/36/79/48/381367948.db2.gz STACGRWTQBGMGH-OTYXRUKQSA-N 0 0 297.782 2.593 10 10 CFCERN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(F)cc1[O-] ZINC000185507033 381653294 /nfs/dbraw/zinc/65/32/94/381653294.db2.gz XFKUOCMQNVVERN-MISXGVKJSA-N 0 0 267.344 2.733 10 10 CFCERN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCO[C@H]1C ZINC000189366847 382599196 /nfs/dbraw/zinc/59/91/96/382599196.db2.gz PUSUXAMPBCUNCA-DZGCQCFKSA-N 0 0 291.391 2.946 10 10 CFCERN Nc1ccc(O[C@@H]2CCCC[C@@]2(O)C(F)(F)F)cc1 ZINC000575433905 382770820 /nfs/dbraw/zinc/77/08/20/382770820.db2.gz UYEQDRKVZSWUJC-NEPJUHHUSA-N 0 0 275.270 2.884 10 10 CFCERN O=C1c2cc(Br)oc2C(=O)c2ccccc21 ZINC000001862789 169761396 /nfs/dbraw/zinc/76/13/96/169761396.db2.gz TWHCOSZEYZCNSM-UHFFFAOYSA-N 0 0 277.073 2.818 10 10 CFCERN CN1CCc2cc(O)c(O)c3c2[C@@H]1Cc1ccccc1-3 ZINC000005966818 170163728 /nfs/dbraw/zinc/16/37/28/170163728.db2.gz SYKWSIUDXOQIDR-ZDUSSCGKSA-N 0 0 267.328 2.850 10 10 CFCERN CC(C)c1ccccc1N=CC1C(=O)OC(C)(C)OC1=O ZINC000010121515 170398160 /nfs/dbraw/zinc/39/81/60/170398160.db2.gz JNTQJGNRMRWESG-UHFFFAOYSA-N 0 0 289.331 2.942 10 10 CFCERN COc1cc(-n2c(C)cc(C=O)c2C)cc(OC)c1OC ZINC000021952202 171340190 /nfs/dbraw/zinc/34/01/90/171340190.db2.gz KVTVFECSASZJEJ-UHFFFAOYSA-N 0 0 289.331 2.932 10 10 CFCERN CN(Cc1ccc(N)cc1)C(=O)Nc1ccccc1 ZINC000035360363 172151742 /nfs/dbraw/zinc/15/17/42/172151742.db2.gz UECALHLCORLQEQ-UHFFFAOYSA-N 0 0 255.321 2.933 10 10 CFCERN Nc1ccc(CCC(=O)N2CCc3sccc3C2)cc1 ZINC000038051638 174063352 /nfs/dbraw/zinc/06/33/52/174063352.db2.gz CSMXKLANNZCXBC-UHFFFAOYSA-N 0 0 286.400 2.848 10 10 CFCERN Nc1ccc(OCCCn2cc(Br)cn2)cc1 ZINC000038054103 174065814 /nfs/dbraw/zinc/06/58/14/174065814.db2.gz KDZGRTVGOHMUNA-UHFFFAOYSA-N 0 0 296.168 2.697 10 10 CFCERN Nc1ccc(OCc2nnc(-c3cccs3)o2)cc1 ZINC000038055417 174066979 /nfs/dbraw/zinc/06/69/79/174066979.db2.gz ZAJWQFUTOMQSBC-UHFFFAOYSA-N 0 0 273.317 2.959 10 10 CFCERN C[C@H](Oc1ccc(N)cc1)C(=O)c1ccc2c(c1)OCCO2 ZINC000040354237 174245485 /nfs/dbraw/zinc/24/54/85/174245485.db2.gz WYZYYYGQWWRODB-NSHDSACASA-N 0 0 299.326 2.690 10 10 CFCERN CC(C)CN(C(=O)CCc1ccc(N)cc1)C1CC1 ZINC000042270888 174671435 /nfs/dbraw/zinc/67/14/35/174671435.db2.gz PNMUCOOAKIFSCV-UHFFFAOYSA-N 0 0 260.381 2.848 10 10 CFCERN COc1cccc([S@@](=O)Cc2ccc(N)cc2)c1 ZINC000042372872 174702390 /nfs/dbraw/zinc/70/23/90/174702390.db2.gz GFFSMUQZVZXHNZ-GOSISDBHSA-N 0 0 261.346 2.585 10 10 CFCERN CC(C)N(CC1CC1)c1cc2c(cc1N)OCCO2 ZINC000042579329 174804316 /nfs/dbraw/zinc/80/43/16/174804316.db2.gz RAWYMRXHZCLGBH-UHFFFAOYSA-N 0 0 262.353 2.665 10 10 CFCERN CCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000071311989 176118802 /nfs/dbraw/zinc/11/88/02/176118802.db2.gz DYLUZMJZINODAT-LLVKDONJSA-N 0 0 289.206 2.883 10 10 CFCERN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)O[C@H](C)C2)c1O ZINC000037322623 260089709 /nfs/dbraw/zinc/08/97/09/260089709.db2.gz BSUXPXQGVZVSDT-NXEZZACHSA-N 0 0 297.782 2.857 10 10 CFCERN Cc1ccc(N2CCN(c3ccc(N)cc3)CC2)cc1 ZINC000016124009 280877126 /nfs/dbraw/zinc/87/71/26/280877126.db2.gz MGGCITJJRCVQFG-UHFFFAOYSA-N 0 0 267.376 2.904 10 10 CFCERN COc1cccc(-c2ccc(O)c(C[NH2+]C(C)C)c2)n1 ZINC000299777375 328298521 /nfs/dbraw/zinc/29/85/21/328298521.db2.gz DMZJFUBYMLPLEF-UHFFFAOYSA-N 0 0 272.348 2.961 10 10 CFCERN Cc1cc(C)n(CCC[NH2+]Cc2cccc(F)c2[O-])n1 ZINC000166043223 524524340 /nfs/dbraw/zinc/52/43/40/524524340.db2.gz XFSHELXIDYZIBS-UHFFFAOYSA-N 0 0 277.343 2.525 10 10 CFCERN Nc1ccc(CCNc2nc(C3CC3)ns2)cc1 ZINC000087642552 527481238 /nfs/dbraw/zinc/48/12/38/527481238.db2.gz DWUWUTMUJNRMBY-UHFFFAOYSA-N 0 0 260.366 2.652 10 10 CFCERN CC(=O)c1cc2c(c(O)c1C)C(=O)C(=O)c1c(O)cccc1-2 ZINC000006069003 560205017 /nfs/dbraw/zinc/20/50/17/560205017.db2.gz CPYFLMXPZMBECD-UHFFFAOYSA-N 0 0 296.278 2.655 10 10 in-vitro CFCERN C[C@H](O)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000309976161 618916250 /nfs/dbraw/zinc/91/62/50/618916250.db2.gz SXOOYHSWCUAQOU-BQBZGAKWSA-N 0 0 264.152 2.558 10 10 CFCERN COC(=O)[C@H](NCc1cc(C)ccc1O)c1ccccc1 ZINC000071409039 625515566 /nfs/dbraw/zinc/51/55/66/625515566.db2.gz XGTGUGZNDLOPKI-MRXNPFEDSA-N 0 0 285.343 2.705 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000165030411 622978144 /nfs/dbraw/zinc/97/81/44/622978144.db2.gz JHDWCQSRFSDLSQ-ZDUSSCGKSA-N 0 0 273.307 2.625 10 10 CFCERN CC1(C)CCC(O)(C[NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000165043834 622980410 /nfs/dbraw/zinc/98/04/10/622980410.db2.gz MKMYTNNKTXFBOS-UHFFFAOYSA-N 0 0 281.371 2.952 10 10 CFCERN C[C@H](C[NH2+]Cc1cccc(F)c1[O-])NC(=O)OC(C)(C)C ZINC000227680666 623115829 /nfs/dbraw/zinc/11/58/29/623115829.db2.gz RWOSWKAYUMQOJH-SNVBAGLBSA-N 0 0 298.358 2.534 10 10 CFCERN CC(C)c1nnc(CSc2nccs2)n1C ZINC000194696601 650724386 /nfs/dbraw/zinc/72/43/86/650724386.db2.gz XBHKJXFZJAFVQY-UHFFFAOYSA-N 0 0 254.384 2.687 10 10 CFCERN COc1ccc([C@@H](C)NC(=O)Cc2ccc(N)cc2)cc1 ZINC000082699774 178201240 /nfs/dbraw/zinc/20/12/40/178201240.db2.gz SNHJHXMZKRHTJW-GFCCVEGCSA-N 0 0 284.359 2.697 10 10 CFCERN C[C@H]1C[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000052275734 346518280 /nfs/dbraw/zinc/51/82/80/346518280.db2.gz XEVJSIZXRADBQE-OIBJUYFYSA-N 0 0 256.143 2.653 10 10 CFCERN CC(C)(C)OC(=O)N1CC(Cc2ccc(N)cc2)C1 ZINC000218473742 348166392 /nfs/dbraw/zinc/16/63/92/348166392.db2.gz WLUXFGFKNRZXSQ-UHFFFAOYSA-N 0 0 262.353 2.678 10 10 CFCERN [NH3+][C@@H](CF)c1cc(Br)cc(Cl)c1[O-] ZINC000238572343 348247841 /nfs/dbraw/zinc/24/78/41/348247841.db2.gz QZXONQXXBMOJME-ZETCQYMHSA-N 0 0 268.513 2.777 10 10 CFCERN [O-]c1c(F)c(Br)ccc1[C@H]1CCC[NH2+]1 ZINC000238721514 348248500 /nfs/dbraw/zinc/24/85/00/348248500.db2.gz SJFBKICXYFIVMC-MRVPVSSYSA-N 0 0 260.106 2.718 10 10 CFCERN [O-]c1c(Br)c(Cl)ccc1[C@H]1CC[NH2+]1 ZINC000307003255 348394617 /nfs/dbraw/zinc/39/46/17/348394617.db2.gz ITSBJSRPBOHPEW-SSDOTTSWSA-N 0 0 262.534 2.843 10 10 CFCERN Cc1ccc(N=NC(=C2NCCS2)[N+](=O)[O-])cc1 ZINC000584611243 348689549 /nfs/dbraw/zinc/68/95/49/348689549.db2.gz RZVQWCXPTSUYMA-SEGPTZFDSA-N 0 0 264.310 2.818 10 10 CFCERN Oc1cccc(CCCCCCC2OCCO2)c1O ZINC000584614404 348690019 /nfs/dbraw/zinc/69/00/19/348690019.db2.gz VCAVEMXNFIZTRS-UHFFFAOYSA-N 0 0 266.337 2.964 10 10 CFCERN CC1(C)O[C@](C)(c2ccc(Cl)cc2)C(=O)C1=O ZINC000584630608 348695305 /nfs/dbraw/zinc/69/53/05/348695305.db2.gz COAJXFOXOMNEFV-CYBMUJFWSA-N 0 0 252.697 2.502 10 10 CFCERN O=C1CSC(=S)N1CCc1c[nH]c2ccccc12 ZINC000090659959 180018547 /nfs/dbraw/zinc/01/85/47/180018547.db2.gz FEGMVEKPGLYPDD-UHFFFAOYSA-N 0 0 276.386 2.571 10 10 CFCERN COc1ccc(O)c([C@@H]2CC(c3ccccc3)=NN2)c1 ZINC000000568164 371640820 /nfs/dbraw/zinc/64/08/20/371640820.db2.gz YSUUESBKOXHAEX-HNNXBMFYSA-N 0 0 268.316 2.840 10 10 CFCERN CCCCCCOC(=O)c1cc(O)c(O)c(O)c1 ZINC000002510146 371729337 /nfs/dbraw/zinc/72/93/37/371729337.db2.gz DQHJNOHLEKVUHU-UHFFFAOYSA-N 0 0 254.282 2.541 10 10 CFCERN Nc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000034957252 372521723 /nfs/dbraw/zinc/52/17/23/372521723.db2.gz AXHMCDIKFAXLOB-UHFFFAOYSA-N 0 0 282.752 2.723 10 10 CFCERN Cc1cc(C(=O)N(C)C)c(C)n1-c1ccc(O)cc1 ZINC000064554637 373828980 /nfs/dbraw/zinc/82/89/80/373828980.db2.gz AEKQGZSWLBVZTD-UHFFFAOYSA-N 0 0 258.321 2.502 10 10 CFCERN CN(C)c1ccc(NNc2ccccc2[N+](=O)[O-])cc1 ZINC000070461096 374183254 /nfs/dbraw/zinc/18/32/54/374183254.db2.gz MUAZFZUQSYNKQA-RNJZADNYSA-N 0 0 272.308 2.976 10 10 CFCERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000090225473 375006745 /nfs/dbraw/zinc/00/67/45/375006745.db2.gz JZMXANLFLNSRSG-LRDDRELGSA-N 0 0 299.422 2.838 10 10 CFCERN Cn1cc([C@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)cn1 ZINC000180331530 380645987 /nfs/dbraw/zinc/64/59/87/380645987.db2.gz QJWVWBZJMYNLCZ-NSHDSACASA-N 0 0 291.782 2.769 10 10 CFCERN Cc1cccc(CN2CCO[C@H](c3nccs3)C2)c1O ZINC000180007635 380609723 /nfs/dbraw/zinc/60/97/23/380609723.db2.gz LHANSDRMNWSMBQ-ZDUSSCGKSA-N 0 0 290.388 2.731 10 10 CFCERN CC(=O)c1cc(Cl)cc(CN2CCC[C@H](O)[C@@H]2C)c1O ZINC000296374070 381367847 /nfs/dbraw/zinc/36/78/47/381367847.db2.gz STACGRWTQBGMGH-XPTSAGLGSA-N 0 0 297.782 2.593 10 10 CFCERN CCOC1(C[NH2+]Cc2cccc(F)c2[O-])CCCC1 ZINC000293635385 382206522 /nfs/dbraw/zinc/20/65/22/382206522.db2.gz LUMFQAHEDQXLFP-UHFFFAOYSA-N 0 0 267.344 2.970 10 10 CFCERN Brc1noc(CSc2nccs2)n1 ZINC000306487913 382457172 /nfs/dbraw/zinc/45/71/72/382457172.db2.gz JTEMPFIARBLEQM-UHFFFAOYSA-N 0 0 278.156 2.581 10 10 CFCERN CCN(C)c1ccc([C@@H](C)N[C@H]2CCCn3ncnc32)cc1 ZINC000247208494 383153138 /nfs/dbraw/zinc/15/31/38/383153138.db2.gz VOIZOVZGFGALLM-CJNGLKHVSA-N 0 0 299.422 2.920 10 10 CFCERN CCOC(=O)CCC(=O)c1ccc(C=S)cc1 ZINC000253532766 383462259 /nfs/dbraw/zinc/46/22/59/383462259.db2.gz AHJRQEYWJCBUJG-UHFFFAOYSA-N 0 0 250.319 2.560 10 10 CFCERN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1cnn(C)c1 ZINC000035678125 393522706 /nfs/dbraw/zinc/52/27/06/393522706.db2.gz NGGQFMBKQXMTJJ-NVNXTCNLSA-N 0 0 280.331 2.535 10 10 CFCERN CSC1=NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S1 ZINC000215092339 397619326 /nfs/dbraw/zinc/61/93/26/397619326.db2.gz IXOVEGKJSPLESN-TWGQIWQCSA-N 0 0 280.330 2.928 10 10 CFCERN Nc1ccc2c(c1)CN(c1ccc3c(c1)OCO3)C2 ZINC000011731102 170435136 /nfs/dbraw/zinc/43/51/36/170435136.db2.gz HEVOXAXSMRBCRM-UHFFFAOYSA-N 0 0 254.289 2.518 10 10 CFCERN Nc1ccc(NC(=O)CCCOCC(F)(F)F)cc1 ZINC000022218084 171376412 /nfs/dbraw/zinc/37/64/12/171376412.db2.gz QIHJUQAVOMZYPQ-UHFFFAOYSA-N 0 0 276.258 2.566 10 10 CFCERN CC(C)COc1ccc(S(=O)(=O)[N-][N+]#N)cc1 ZINC000034669571 171856028 /nfs/dbraw/zinc/85/60/28/171856028.db2.gz ZNGUOFVFMWPVQM-UHFFFAOYSA-N 0 0 255.299 2.720 10 10 CFCERN CSCCC(=O)N(C)[C@@H](C)c1ccccc1O ZINC000038089686 174103140 /nfs/dbraw/zinc/10/31/40/174103140.db2.gz OTGMCZAGQJMREQ-JTQLQIEISA-N 0 0 253.367 2.665 10 10 CFCERN Oc1cccc(CNc2cc(F)ccc2F)c1O ZINC000041116287 174484637 /nfs/dbraw/zinc/48/46/37/174484637.db2.gz YRSZVTJSWXVOKL-UHFFFAOYSA-N 0 0 251.232 2.988 10 10 CFCERN CN(CCc1ccncc1)c1ccc2c(c1)CCN2C ZINC000071711404 176248587 /nfs/dbraw/zinc/24/85/87/176248587.db2.gz QUMOJBHRVAOQCI-UHFFFAOYSA-N 0 0 267.376 2.753 10 10 CFCERN CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cccc(F)c1[O-] ZINC000158717925 519775971 /nfs/dbraw/zinc/77/59/71/519775971.db2.gz UPKDGRGSAGIHFG-ZDUSSCGKSA-N 0 0 268.376 2.597 10 10 CFCERN CCCN(Cc1ccc(N)cc1)c1nccn1CC ZINC000050614423 521684786 /nfs/dbraw/zinc/68/47/86/521684786.db2.gz ZTUHDWMFRBFXBC-UHFFFAOYSA-N 0 0 258.369 2.902 10 10 CFCERN C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccsc1 ZINC000061330545 524988644 /nfs/dbraw/zinc/98/86/44/524988644.db2.gz KVQKEXLOXJFMIL-JTQLQIEISA-N 0 0 260.362 2.750 10 10 CFCERN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(Cl)c1[O-] ZINC000246017209 525088070 /nfs/dbraw/zinc/08/80/70/525088070.db2.gz ZUGRRENNDLBBJT-YPMHNXCESA-N 0 0 280.799 2.714 10 10 CFCERN [O-]c1c(F)cccc1C[NH2+]CC[C@H]1CCCCO1 ZINC000227522072 526330606 /nfs/dbraw/zinc/33/06/06/526330606.db2.gz ZCWFGNJHAXDRBE-GFCCVEGCSA-N 0 0 253.317 2.580 10 10 CFCERN CCc1cc(CC)nc(NCCc2ccc(N)cc2)n1 ZINC000261870509 618159320 /nfs/dbraw/zinc/15/93/20/618159320.db2.gz YXRVPRPCGNCGJX-UHFFFAOYSA-N 0 0 270.380 2.838 10 10 CFCERN O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(F)c2[O-])cc1 ZINC000165019765 622978421 /nfs/dbraw/zinc/97/84/21/622978421.db2.gz GCNVDBWVZZYKMD-UHFFFAOYSA-N 0 0 276.267 2.729 10 10 CFCERN CS[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000226612696 623085000 /nfs/dbraw/zinc/08/50/00/623085000.db2.gz YIEIUGWBCPRPEL-QWRGUYRKSA-N 0 0 255.358 2.905 10 10 CFCERN COc1cccc(CN[C@@H](C)c2ncc(C)o2)c1O ZINC000231528707 623355860 /nfs/dbraw/zinc/35/58/60/623355860.db2.gz OQVDXACIRNSXLH-JTQLQIEISA-N 0 0 262.309 2.548 10 10 CFCERN Cc1c(C#N)cccc1NCc1cc2c(cc1O)OCO2 ZINC000181447766 625141679 /nfs/dbraw/zinc/14/16/79/625141679.db2.gz TXJHVWLPTVPICH-UHFFFAOYSA-N 0 0 282.299 2.913 10 10 CFCERN Cc1ccc(C(=O)N[C@@H](C)c2cccs2)c(O)c1O ZINC000181778671 625215207 /nfs/dbraw/zinc/21/52/07/625215207.db2.gz XVEOVFBNOMPDLD-VIFPVBQESA-N 0 0 277.345 2.959 10 10 CFCERN Cc1ccccc1[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000040312054 649983734 /nfs/dbraw/zinc/98/37/34/649983734.db2.gz ILQLRVYITWKZOJ-CYBMUJFWSA-N 0 0 268.360 2.997 10 10 CFCERN CN(C)c1ccc2c(c1)OCCN2CC1(O)CCCCC1 ZINC000119430323 637642096 /nfs/dbraw/zinc/64/20/96/637642096.db2.gz QLAAZDGKMBJWGP-UHFFFAOYSA-N 0 0 290.407 2.647 10 10 CFCERN CCC1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000126299821 643110396 /nfs/dbraw/zinc/11/03/96/643110396.db2.gz UUWXAOMSKSLGMI-UHFFFAOYSA-N 0 0 263.337 2.796 10 10 CFCERN Nc1cc2c(cc1N1CCc3ccccc3C1)OCCO2 ZINC000019868525 136579144 /nfs/dbraw/zinc/57/91/44/136579144.db2.gz OXGBPSAALRKMCS-UHFFFAOYSA-N 0 0 282.343 2.603 10 10 CFCERN CCOc1cc(C=O)cc(C[NH+]2CCCCC2)c1[O-] ZINC000616575504 352372743 /nfs/dbraw/zinc/37/27/43/352372743.db2.gz CYUUTQUWZLVXMW-UHFFFAOYSA-N 0 0 263.337 2.589 10 10 CFCERN Nc1ccc(Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000008418879 371898093 /nfs/dbraw/zinc/89/80/93/371898093.db2.gz ZSHYHKYWCVORIP-UHFFFAOYSA-N 0 0 269.348 2.849 10 10 CFCERN CN(C)c1ccc(NNc2ccccc2[N+](=O)[O-])cc1 ZINC000070461097 374183115 /nfs/dbraw/zinc/18/31/15/374183115.db2.gz MUAZFZUQSYNKQA-LPPHJRPXSA-N 0 0 272.308 2.976 10 10 CFCERN Cc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)c(O)c1O ZINC000177662027 380364150 /nfs/dbraw/zinc/36/41/50/380364150.db2.gz ZSBRRNUIQAFFKD-CYBMUJFWSA-N 0 0 299.326 2.660 10 10 CFCERN Brc1cnc(Sc2nccs2)cn1 ZINC000306160092 382453964 /nfs/dbraw/zinc/45/39/64/382453964.db2.gz LULLMHZNSFXNMC-UHFFFAOYSA-N 0 0 274.168 2.847 10 10 CFCERN CCOC(=O)Cc1cc(N(C)C)ccc1OC(F)(F)F ZINC000575397027 382769408 /nfs/dbraw/zinc/76/94/08/382769408.db2.gz XKYFFQDYDQXDNZ-UHFFFAOYSA-N 0 0 291.269 2.757 10 10 CFCERN CCOC(=O)c1cc(OC(F)(F)F)ccc1N(C)C ZINC000575397102 382769704 /nfs/dbraw/zinc/76/97/04/382769704.db2.gz LSVBNOOJEWFNIL-UHFFFAOYSA-N 0 0 277.242 2.828 10 10 CFCERN CC[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CCCO1 ZINC000281262973 385190018 /nfs/dbraw/zinc/19/00/18/385190018.db2.gz NEZYSONJZIALIN-LBPRGKRZSA-N 0 0 253.317 2.532 10 10 CFCERN Cc1ccccc1NS(=O)(=O)Cc1ccc(N)cc1 ZINC000021062308 171297360 /nfs/dbraw/zinc/29/73/60/171297360.db2.gz JGKVUAXREDOUIZ-UHFFFAOYSA-N 0 0 276.361 2.519 10 10 CFCERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000022171072 171368065 /nfs/dbraw/zinc/36/80/65/171368065.db2.gz MGCQCVMYBFQENC-ZOWXZIJZSA-N 0 0 260.381 2.752 10 10 CFCERN Nc1ccc(NC(=O)CCOc2ccc(F)cc2)cc1 ZINC000022212875 171374387 /nfs/dbraw/zinc/37/43/87/171374387.db2.gz NKKVQXMJSTZTGG-UHFFFAOYSA-N 0 0 274.295 2.816 10 10 CFCERN CCn1nccc1/C=C1\SC(=S)N(C(C)C)C1=O ZINC000035678372 172348988 /nfs/dbraw/zinc/34/89/88/172348988.db2.gz FUXLMBKNELIYNH-YFHOEESVSA-N 0 0 281.406 2.513 10 10 CFCERN Cc1cc(C=O)c(C)n1-c1cc([N+](=O)[O-])ccc1F ZINC000035679044 172349674 /nfs/dbraw/zinc/34/96/74/172349674.db2.gz HUEUDPVLJOZGKL-UHFFFAOYSA-N 0 0 262.240 2.954 10 10 CFCERN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(N)cc1 ZINC000037376083 173165047 /nfs/dbraw/zinc/16/50/47/173165047.db2.gz UQRZEPINJNGVLV-UHFFFAOYSA-N 0 0 280.324 2.517 10 10 CFCERN Nc1ccc(NC(=O)CCCn2cc(Cl)cn2)cc1 ZINC000038053259 174064530 /nfs/dbraw/zinc/06/45/30/174064530.db2.gz CDUYTGPAVLMPNV-UHFFFAOYSA-N 0 0 278.743 2.538 10 10 CFCERN C[C@H](NC(=O)COc1ccc(N)cc1)c1cccs1 ZINC000038055390 174067038 /nfs/dbraw/zinc/06/70/38/174067038.db2.gz KIZRYEGPJWZGQH-JTQLQIEISA-N 0 0 276.361 2.587 10 10 CFCERN C[C@H](c1ccccc1O)N(C)C(=O)c1ccccn1 ZINC000038089411 174102384 /nfs/dbraw/zinc/10/23/84/174102384.db2.gz DQUJMYWVWIGROY-LLVKDONJSA-N 0 0 256.305 2.620 10 10 CFCERN CC(C)N(Cc1cc(N)ccc1O)CC(F)(F)F ZINC000042739225 174861341 /nfs/dbraw/zinc/86/13/41/174861341.db2.gz HOWVXJMHDURUHI-UHFFFAOYSA-N 0 0 262.275 2.747 10 10 CFCERN Cc1ccncc1NC(=O)CCc1ccc(N)cc1 ZINC000071412427 176157882 /nfs/dbraw/zinc/15/78/82/176157882.db2.gz CKHOJEPNJPAGLG-UHFFFAOYSA-N 0 0 255.321 2.544 10 10 CFCERN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1[O-] ZINC000183137851 275501931 /nfs/dbraw/zinc/50/19/31/275501931.db2.gz CSQRNTYRHVQZJO-OTYXRUKQSA-N 0 0 297.782 2.905 10 10 CFCERN O=C(/N=N\C(=O)N1CCCCC1)N1CCCCC1 ZINC000096300328 330438072 /nfs/dbraw/zinc/43/80/72/330438072.db2.gz OQJBFFCUFALWQL-YPKPFQOOSA-N 0 0 252.318 2.650 10 10 CFCERN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCCn3ncnc32)cc1 ZINC000164670923 520288147 /nfs/dbraw/zinc/28/81/47/520288147.db2.gz VOIZOVZGFGALLM-CZUORRHYSA-N 0 0 299.422 2.920 10 10 CFCERN COC(=O)C1=C(C)NC(=O)/C1=C/c1ccc(C(C)(C)C)cc1 ZINC000058883529 522875051 /nfs/dbraw/zinc/87/50/51/522875051.db2.gz GONKQJIUKJCDQT-GXDHUFHOSA-N 0 0 299.370 2.944 10 10 CFCERN NC(=O)c1cc(Cl)ccc1Oc1ccc(N)cc1 ZINC000052859024 527026660 /nfs/dbraw/zinc/02/66/60/527026660.db2.gz JQNCICKVONFYPG-UHFFFAOYSA-N 0 0 262.696 2.813 10 10 CFCERN CN1CCN(Cc2cccc(F)c2O)c2ccccc21 ZINC000166375466 622201163 /nfs/dbraw/zinc/20/11/63/622201163.db2.gz ONNNOVDTGZJRMG-UHFFFAOYSA-N 0 0 272.323 2.988 10 10 CFCERN CN(Cc1ccccc1O)C(=O)N[C@@H]1COc2ccccc21 ZINC000060586989 623140767 /nfs/dbraw/zinc/14/07/67/623140767.db2.gz MVKVUEVUDJSPIH-CQSZACIVSA-N 0 0 298.342 2.667 10 10 CFCERN C[C@@H]([NH3+])c1c([O-])c(Br)cc(Cl)c1F ZINC000757146010 626545912 /nfs/dbraw/zinc/54/59/12/626545912.db2.gz REYCTOXGCDUIAK-GSVOUGTGSA-N 0 0 268.513 2.967 10 10 CFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@@H]2C)cc1F ZINC000109033513 633784281 /nfs/dbraw/zinc/78/42/81/633784281.db2.gz SHHXCNGTAWRCNI-FZMZJTMJSA-N 0 0 293.386 2.880 10 10 CFCERN Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000158806079 650237559 /nfs/dbraw/zinc/23/75/59/650237559.db2.gz VDGBDDIWAGCGCP-MRVPVSSYSA-N 0 0 264.300 2.987 10 10 CFCERN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000159697550 650272945 /nfs/dbraw/zinc/27/29/45/650272945.db2.gz AUWPNYANEUDCAG-DOMZBBRYSA-N 0 0 277.364 2.698 10 10 CFCERN COc1ccc(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)cc1C ZINC000086787141 650797156 /nfs/dbraw/zinc/79/71/56/650797156.db2.gz TZHGVEPDAHRPEU-KGLIPLIRSA-N 0 0 277.364 2.737 10 10 CFCERN CC(C)N1C(=O)/C(=C\c2ccc(O)cc2O)SC1=S ZINC000096569119 650994591 /nfs/dbraw/zinc/99/45/91/650994591.db2.gz WFJAYXTXUURBJZ-VZUCSPMQSA-N 0 0 295.385 2.707 10 10 CFCERN CN(C)c1cccc(NC(=O)c2cc(F)ccc2N)c1 ZINC000082698867 178200250 /nfs/dbraw/zinc/20/02/50/178200250.db2.gz RAINFJVMROIMSB-UHFFFAOYSA-N 0 0 273.311 2.726 10 10 CFCERN COc1cc2c(c(C(=O)c3ccccc3)c1)NCC2 ZINC000038999633 346340533 /nfs/dbraw/zinc/34/05/33/346340533.db2.gz WHUWAPHHJVWMGS-UHFFFAOYSA-N 0 0 253.301 2.894 10 10 CFCERN [O-]c1c(F)cc(Br)cc1[C@@H]1CCC[NH2+]1 ZINC000238722556 348248655 /nfs/dbraw/zinc/24/86/55/348248655.db2.gz FDBWGQRAUPSKHP-VIFPVBQESA-N 0 0 260.106 2.718 10 10 CFCERN CC1=NN[C@@H](c2cc(Br)ccc2O)C1 ZINC000584635461 348698264 /nfs/dbraw/zinc/69/82/64/348698264.db2.gz CTQOKZIASHJHKL-SECBINFHSA-N 0 0 255.115 2.565 10 10 CFCERN O=C1c2oc3cc4c(cc3c2C(=O)c2ccccc21)OCO4 ZINC000013651662 372037614 /nfs/dbraw/zinc/03/76/14/372037614.db2.gz JXNVSTHSEHIOAQ-UHFFFAOYSA-N 0 0 292.246 2.937 10 10 CFCERN CN(C)/N=N/c1cccc(NC(=O)CN2CCCCC2)c1 ZINC000033895542 372501634 /nfs/dbraw/zinc/50/16/34/372501634.db2.gz FIKDPYLEYLORDN-ISLYRVAYSA-N 0 0 289.383 2.671 10 10 CFCERN Cc1ccc(C)n1-c1cc(Br)n(C)n1 ZINC000082014264 374723489 /nfs/dbraw/zinc/72/34/89/374723489.db2.gz GNNTXRDKXGNTGJ-UHFFFAOYSA-N 0 0 254.131 2.590 10 10 CFCERN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCS1 ZINC000180041568 380613055 /nfs/dbraw/zinc/61/30/55/380613055.db2.gz KNQLQIUJSSAXSO-VIFPVBQESA-N 0 0 257.786 2.983 10 10 CFCERN C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(F)cc1[O-] ZINC000185507072 381653744 /nfs/dbraw/zinc/65/37/44/381653744.db2.gz XFKUOCMQNVVERN-WDMOLILDSA-N 0 0 267.344 2.733 10 10 CFCERN Oc1cc(Br)cc(OC(F)(F)F)c1O ZINC000575686777 382788193 /nfs/dbraw/zinc/78/81/93/382788193.db2.gz OXZUCXKLYDPQQB-UHFFFAOYSA-N 0 0 273.004 2.759 10 10 CFCERN C[C@H]1CC(C[NH2+]Cc2cccc(F)c2[O-])C[C@H](C)O1 ZINC000281244276 385187309 /nfs/dbraw/zinc/18/73/09/385187309.db2.gz MCKVHMULDOYPMY-QWRGUYRKSA-N 0 0 267.344 2.825 10 10 CFCERN COc1ccccc1N1CCN(c2ccc(N)cc2)CC1 ZINC000008030917 393468607 /nfs/dbraw/zinc/46/86/07/393468607.db2.gz PLZOYODWWIFGJD-UHFFFAOYSA-N 0 0 283.375 2.604 10 10 CFCERN C[C@H](N[C@H]1CCCn2ncnc21)c1ccc(N(C)C)cc1 ZINC000164683120 394369590 /nfs/dbraw/zinc/36/95/90/394369590.db2.gz WTBHCKAOTHRHJY-WFASDCNBSA-N 0 0 285.395 2.530 10 10 CFCERN COc1ccc(C2=NN[C@H](c3cccs3)C2)c(O)c1 ZINC000008472968 170336808 /nfs/dbraw/zinc/33/68/08/170336808.db2.gz YGRUPLWINOTYGS-LBPRGKRZSA-N 0 0 274.345 2.901 10 10 CFCERN CN(C(=O)c1ccc(F)c(F)c1)c1ccc(N)cc1 ZINC000020373870 171169291 /nfs/dbraw/zinc/16/92/91/171169291.db2.gz SZSMTMQPTWPEJI-UHFFFAOYSA-N 0 0 262.259 2.824 10 10 CFCERN COc1cccc([C@@H]2CC(c3ccc(C)o3)=NN2)c1O ZINC000020390674 171179630 /nfs/dbraw/zinc/17/96/30/171179630.db2.gz PTYHBPCJSBEMLT-NSHDSACASA-N 0 0 272.304 2.741 10 10 CFCERN Nc1ncccc1OCc1ccc2ncccc2c1 ZINC000020483641 171223651 /nfs/dbraw/zinc/22/36/51/171223651.db2.gz LFSXVPXGHUZICS-UHFFFAOYSA-N 0 0 251.289 2.791 10 10 CFCERN CC(C)(C)OCCCC(=O)Nc1ccc(N)cc1 ZINC000020507496 171229207 /nfs/dbraw/zinc/22/92/07/171229207.db2.gz GNLHHJBBPAZPGE-UHFFFAOYSA-N 0 0 250.342 2.803 10 10 CFCERN C[C@H](Oc1ccc(F)cc1F)C(=O)Nc1ccc(N)cc1 ZINC000022211319 171373662 /nfs/dbraw/zinc/37/36/62/171373662.db2.gz ADCPJGUPYNULOS-VIFPVBQESA-N 0 0 292.285 2.953 10 10 CFCERN Nc1ccc(CCC(=O)N2CCCCCCC2)cc1 ZINC000037222745 173043187 /nfs/dbraw/zinc/04/31/87/173043187.db2.gz JJTYPAIRXCOSJJ-UHFFFAOYSA-N 0 0 260.381 2.994 10 10 CFCERN CN(Cc1cccs1)C(=O)CCc1ccc(N)cc1 ZINC000038051701 174063320 /nfs/dbraw/zinc/06/33/20/174063320.db2.gz HXCMFGSRCSUBAI-UHFFFAOYSA-N 0 0 274.389 2.922 10 10 CFCERN Cc1oncc1C(=O)N(C)[C@@H](C)c1ccccc1O ZINC000038089400 174102783 /nfs/dbraw/zinc/10/27/83/174102783.db2.gz FWBSRFNJNJFECG-VIFPVBQESA-N 0 0 260.293 2.522 10 10 CFCERN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(N(C)C)cc1 ZINC000090225477 260456768 /nfs/dbraw/zinc/45/67/68/260456768.db2.gz JZMXANLFLNSRSG-MLGOLLRUSA-N 0 0 299.422 2.838 10 10 CFCERN CC1=CC2=NC(=O)/C(=C/C=C/c3ccccc3)C(=N)N2O1 ZINC000041078291 278493759 /nfs/dbraw/zinc/49/37/59/278493759.db2.gz AMEVPTKRHMAULV-KFGYVKIYSA-N 0 0 279.299 2.693 10 10 CFCERN O=C1NC(=S)C(=Cc2ccc([N+](=O)[O-])cc2)S1 ZINC000005013954 280281121 /nfs/dbraw/zinc/28/11/21/280281121.db2.gz ADPLROBYTCRDQH-YVMONPNESA-N 0 0 266.303 2.720 10 10 CFCERN