smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]1C(=O)NCCN1C(=O)Cc1ccc(N)cc1 ZINC000110676386 349762639 /nfs/dbraw/zinc/76/26/39/349762639.db2.gz WRYCLHCLKWQNAX-LBPRGKRZSA-N 0 0 261.325 0.548 20 10 CCCDRN COC(=O)N1CC(NC(=O)N(C)Cc2ccccc2O)C1 ZINC000269267527 352831540 /nfs/dbraw/zinc/83/15/40/352831540.db2.gz DULAQXYWXADCEB-UHFFFAOYSA-N 0 0 293.323 0.984 20 10 CCCDRN COc1cc(NS(=O)(=O)N2CCC2)ccc1O ZINC000795361294 581404991 /nfs/dbraw/zinc/40/49/91/581404991.db2.gz GMOPXAJWDKHEGH-UHFFFAOYSA-N 0 0 258.299 0.763 20 10 CCCDRN CCC(=O)N1CC[C@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000272392135 353058700 /nfs/dbraw/zinc/05/87/00/353058700.db2.gz XURWLELQGKSENQ-NSHDSACASA-N 0 0 292.335 0.973 20 10 CCCDRN CCNC(=O)[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000272647628 353082298 /nfs/dbraw/zinc/08/22/98/353082298.db2.gz JMCMOCRFKOMIKX-QMMMGPOBSA-N 0 0 266.297 0.661 20 10 CCCDRN C[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000285549373 353559809 /nfs/dbraw/zinc/55/98/09/353559809.db2.gz QPNGWODQKBMDCA-MFKMUULPSA-N 0 0 264.325 0.728 20 10 CCCDRN CC(=O)C(=O)CN1C(=O)N[C@@](C)(CC(C)C)C1=O ZINC000288844164 353686993 /nfs/dbraw/zinc/68/69/93/353686993.db2.gz JYOZSMNBCSZIAI-LBPRGKRZSA-N 0 0 254.286 0.501 20 10 CCCDRN O=C(c1cccc(O)c1O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000366152185 357187148 /nfs/dbraw/zinc/18/71/48/357187148.db2.gz QNKYWKLBUBJCCX-QMMMGPOBSA-N 0 0 278.264 0.374 20 10 CCCDRN COc1ccc(CNC(=O)[C@@]2(C)CCC(=O)NC2)c(O)c1 ZINC000366898752 357251784 /nfs/dbraw/zinc/25/17/84/357251784.db2.gz YSQLEIAFIFJTMC-HNNXBMFYSA-N 0 0 292.335 0.933 20 10 CCCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(CO)COC1 ZINC000575870274 359044828 /nfs/dbraw/zinc/04/48/28/359044828.db2.gz ASXCVDBBKQMHDP-UHFFFAOYSA-N 0 0 292.335 0.487 20 10 CCCDRN COC[C@@H](O)CCNC(=O)c1c(F)ccc(O)c1O ZINC000297251381 200126022 /nfs/dbraw/zinc/12/60/22/200126022.db2.gz VJYGOWNJULWNLO-ZETCQYMHSA-N 0 0 273.260 0.364 20 10 CCCDRN COc1c(O)c(C[NH+]2CC(CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000297430629 200187499 /nfs/dbraw/zinc/18/74/99/200187499.db2.gz OLQUZNUKPGZNDK-UHFFFAOYSA-N 0 0 295.295 0.616 20 10 CCCDRN CNC(=O)C1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000297483276 200205972 /nfs/dbraw/zinc/20/59/72/200205972.db2.gz UKJMSJYXOVKDIS-UHFFFAOYSA-N 0 0 295.295 0.487 20 10 CCCDRN CN(C)C(=O)CN(C)Cc1cc2c(cc1O)OCO2 ZINC000105672494 389086373 /nfs/dbraw/zinc/08/63/73/389086373.db2.gz CPYHTLLJASHLON-UHFFFAOYSA-N 0 0 266.297 0.641 20 10 CCCDRN C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1cccc(O)c1O ZINC000195151920 389117169 /nfs/dbraw/zinc/11/71/69/389117169.db2.gz DHUBYESTRKCNKM-XCBNKYQSSA-N 0 0 264.281 0.352 20 10 CCCDRN COc1ccc(N(CC(=O)N(C)C)CC(=O)N(C)C)cc1 ZINC000119347519 389139623 /nfs/dbraw/zinc/13/96/23/389139623.db2.gz XHQSFPYDNDFTLM-UHFFFAOYSA-N 0 0 293.367 0.678 20 10 CCCDRN Nc1ccc(CC(=O)N2CCN(c3cnccn3)CC2)cc1 ZINC000237893823 389196629 /nfs/dbraw/zinc/19/66/29/389196629.db2.gz FCJIZZVIQGGZHI-UHFFFAOYSA-N 0 0 297.362 0.950 20 10 CCCDRN COc1cccc(CNC(=O)N[C@H]2CC(=O)N(C)C2)c1O ZINC000267533962 389372766 /nfs/dbraw/zinc/37/27/66/389372766.db2.gz ASAAOFHPBSDFQZ-JTQLQIEISA-N 0 0 293.323 0.431 20 10 CCCDRN COc1cccc(CNC(=O)NCCC(=O)N(C)C)c1O ZINC000266696939 389365465 /nfs/dbraw/zinc/36/54/65/389365465.db2.gz GANGLSRFNWXKEM-UHFFFAOYSA-N 0 0 295.339 0.678 20 10 CCCDRN CN(C(=O)c1c[nH]nc1-c1cnn(C)c1)c1cnn(C)c1 ZINC000444081621 389889424 /nfs/dbraw/zinc/88/94/24/389889424.db2.gz DXEVSUWNZVLHLI-UHFFFAOYSA-N 0 0 285.311 0.820 20 10 CCCDRN COC(=O)C[C@@H]1CN(C(=O)c2cccc(O)c2O)CCO1 ZINC000126504497 260352811 /nfs/dbraw/zinc/35/28/11/260352811.db2.gz CSMYRRNQIUSFHT-SECBINFHSA-N 0 0 295.291 0.502 20 10 CCCDRN Cc1ccc(C(=O)NC[C@@]2(O)CCOC2)c(O)c1O ZINC000272554986 263006528 /nfs/dbraw/zinc/00/65/28/263006528.db2.gz BJIMGEIACIVRSB-ZDUSSCGKSA-N 0 0 267.281 0.287 20 10 CCCDRN C[C@@H](CC(N)=O)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000283582229 263083548 /nfs/dbraw/zinc/08/35/48/263083548.db2.gz XBRLFMLYTJOOKY-JTQLQIEISA-N 0 0 291.351 0.990 20 10 CCCDRN COC(=O)CN(CC(=O)OC)Cc1cc(C)ccc1O ZINC000271137052 328195126 /nfs/dbraw/zinc/19/51/26/328195126.db2.gz SHZCNRUOKQDCAS-UHFFFAOYSA-N 0 0 281.308 0.849 20 10 CCCDRN COc1ncc(/C=C/C(=O)N(C)c2cnn(C)c2)cn1 ZINC000492678196 332409159 /nfs/dbraw/zinc/40/91/59/332409159.db2.gz KNUMFVPXVUQXEA-SNAWJCMRSA-N 0 0 273.296 0.895 20 10 CCCDRN CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccn(C)n2)c1 ZINC000492701538 332410272 /nfs/dbraw/zinc/41/02/72/332410272.db2.gz FTLQJOSXKOBAFM-PLNGDYQASA-N 0 0 299.334 0.851 20 10 CCCDRN CC(=O)C(=O)CN1C(=O)N[C@](C)(C2(C)CC2)C1=O ZINC000289789879 519358016 /nfs/dbraw/zinc/35/80/16/519358016.db2.gz XOPVOCUQNJXKMJ-LBPRGKRZSA-N 0 0 252.270 0.255 20 10 CCCDRN CN(C)c1ccc(CNC(=O)NCc2cnnn2C)cc1 ZINC000289047125 522198467 /nfs/dbraw/zinc/19/84/67/522198467.db2.gz KURVEQDNBDDDJC-UHFFFAOYSA-N 0 0 288.355 0.881 20 10 CCCDRN CN(C)c1ccc2c(c1)OCCN2CCN1CCNC1=O ZINC000289640489 522254877 /nfs/dbraw/zinc/25/48/77/522254877.db2.gz BYXJROHYUDHGBX-UHFFFAOYSA-N 0 0 290.367 0.977 20 10 CCCDRN COCC(=O)N1CCN(Cc2cccc(OC)c2O)CC1 ZINC000128709042 522749149 /nfs/dbraw/zinc/74/91/49/522749149.db2.gz BXCGCKPMCLZRBK-UHFFFAOYSA-N 0 0 294.351 0.691 20 10 CCCDRN COCc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 ZINC000130280047 522967977 /nfs/dbraw/zinc/96/79/77/522967977.db2.gz AQPOZOOKEMADBV-UHFFFAOYSA-N 0 0 278.264 0.860 20 10 CCCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000267733572 523380774 /nfs/dbraw/zinc/38/07/74/523380774.db2.gz USRRXUGJFCGDIN-LLVKDONJSA-N 0 0 277.324 0.764 20 10 CCCDRN COC(=O)NCC(=O)NCCc1ccc(N)cc1 ZINC000237266586 523438780 /nfs/dbraw/zinc/43/87/80/523438780.db2.gz DXVXTUAISYVVPF-UHFFFAOYSA-N 0 0 251.286 0.284 20 10 CCCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)N1CCN(C)CC1 ZINC000263676195 524086487 /nfs/dbraw/zinc/08/64/87/524086487.db2.gz MBVPXXPHMQTVRX-ZDUSSCGKSA-N 0 0 291.395 0.987 20 10 CCCDRN COc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1F ZINC000084952049 524431104 /nfs/dbraw/zinc/43/11/04/524431104.db2.gz CWDMXYQCYXMKMZ-UHFFFAOYSA-N 0 0 288.344 0.916 20 10 CCCDRN COc1ccc(N2CCN(S(N)(=O)=O)CC2)cc1F ZINC000084854342 524432579 /nfs/dbraw/zinc/43/25/79/524432579.db2.gz UYMMXUKLGARKJU-UHFFFAOYSA-N 0 0 289.332 0.160 20 10 CCCDRN C[C@H](CO)[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000276559775 524573668 /nfs/dbraw/zinc/57/36/68/524573668.db2.gz IXTMPVCWEWWTFF-RQJHMYQMSA-N 0 0 257.261 0.984 20 10 CCCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCn1ccnn1 ZINC000274968307 524892767 /nfs/dbraw/zinc/89/27/67/524892767.db2.gz VGSREXIKIBRZQM-JTQLQIEISA-N 0 0 290.323 0.827 20 10 CCCDRN C[C@@H]1OCC[C@]1(O)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000279635841 525597771 /nfs/dbraw/zinc/59/77/71/525597771.db2.gz YNMNSYIBCXJKJJ-XMGZPTSRSA-N 0 0 293.319 0.767 20 10 CCCDRN O=C(CCC(=O)N1CCOCC1)NCc1ccccc1O ZINC000299466262 526380836 /nfs/dbraw/zinc/38/08/36/526380836.db2.gz DUMVWAXXKRINRK-UHFFFAOYSA-N 0 0 292.335 0.647 20 10 CCCDRN O=C(CO)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000270759402 526905536 /nfs/dbraw/zinc/90/55/36/526905536.db2.gz FEIIUSDYHBEGGE-UHFFFAOYSA-N 0 0 282.315 0.395 20 10 CCCDRN NC(=O)[C@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000126312903 527012278 /nfs/dbraw/zinc/01/22/78/527012278.db2.gz RYRDZPZGOWRBTD-LLVKDONJSA-N 0 0 270.716 0.732 20 10 CCCDRN O=S(=O)(NCc1ccccc1O)[C@H]1CCOC1 ZINC000269667565 527231015 /nfs/dbraw/zinc/23/10/15/527231015.db2.gz CTLSLKNWELBLRP-JTQLQIEISA-N 0 0 257.311 0.601 20 10 CCCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCS(=O)(=O)CC1 ZINC000272410292 527614020 /nfs/dbraw/zinc/61/40/20/527614020.db2.gz IVEKXMQWTFKAIX-DUXPYHPUSA-N 0 0 297.332 0.368 20 10 CCCDRN COC[C@H](NC(=O)C1=CC(=O)CS1)C(=O)OC ZINC000778514288 581158456 /nfs/dbraw/zinc/15/84/56/581158456.db2.gz HFZGDURMOZESRK-ZETCQYMHSA-N 0 0 259.283 0.372 20 10 CCCDRN COC(=O)C(=O)[C@@H](C)OC(=O)C1=CC(=O)CS1 ZINC000778314473 581151064 /nfs/dbraw/zinc/15/10/64/581151064.db2.gz HWVNPIRQLLPZEW-RXMQYKEDSA-N 0 0 258.251 0.741 20 10 CCCDRN COC(=O)C(=O)[C@H](C)OC(=O)C=Cc1ccc(O)c(O)c1 ZINC000778323581 581151753 /nfs/dbraw/zinc/15/17/53/581151753.db2.gz MEJCLAMNPSZIAP-HORMHSFOSA-N 0 0 294.259 0.785 20 10 CCCDRN COC[C@H](NCc1cc(C)ccc1O)C(=O)OC ZINC000789575072 581151927 /nfs/dbraw/zinc/15/19/27/581151927.db2.gz IHEXPLHSOZDJFV-NSHDSACASA-N 0 0 253.298 0.978 20 10 CCCDRN O=C(COC(=O)[C@@H](O)C1CC1)c1ccc(O)c(O)c1 ZINC000783561579 581162454 /nfs/dbraw/zinc/16/24/54/581162454.db2.gz RPIAFMYYSHPGHS-LBPRGKRZSA-N 0 0 266.249 0.595 20 10 CCCDRN Cc1nnc(CCNC(=O)C=Cc2ccc(O)c(O)c2)[nH]1 ZINC000779515933 581188619 /nfs/dbraw/zinc/18/86/19/581188619.db2.gz SNUQELWEYDKKFJ-HWKANZROSA-N 0 0 288.307 0.896 20 10 CCCDRN CCOC(=O)[C@@H]1CN(C(=O)c2cccc(O)c2O)CCO1 ZINC000790772702 581197541 /nfs/dbraw/zinc/19/75/41/581197541.db2.gz HYMKVDNMXAWVCI-NSHDSACASA-N 0 0 295.291 0.502 20 10 CCCDRN C[C@H](CCS(C)(=O)=O)NC(=O)c1cccc(O)c1O ZINC000790895258 581201629 /nfs/dbraw/zinc/20/16/29/581201629.db2.gz IRPSCEONYOGNSF-MRVPVSSYSA-N 0 0 287.337 0.651 20 10 CCCDRN O=C(c1cccc(O)c1O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000790906018 581202029 /nfs/dbraw/zinc/20/20/29/581202029.db2.gz BKOLHENVJCLARX-VIFPVBQESA-N 0 0 292.291 0.765 20 10 CCCDRN O=C(N[C@H](CO)C1CCOCC1)c1cccc(O)c1O ZINC000790926329 581202247 /nfs/dbraw/zinc/20/22/47/581202247.db2.gz LYNUTYAFHPDJET-LLVKDONJSA-N 0 0 281.308 0.615 20 10 CCCDRN O=C(c1cccc(O)c1O)N1CCc2c(=O)[nH]cnc2C1 ZINC000790925826 581202341 /nfs/dbraw/zinc/20/23/41/581202341.db2.gz GBLPBGFMFIDUOK-UHFFFAOYSA-N 0 0 287.275 0.792 20 10 CCCDRN Cc1ccc(C(=O)NC2(C(N)=O)CCCC2)c(O)c1O ZINC000780938505 581251125 /nfs/dbraw/zinc/25/11/25/581251125.db2.gz MMFDNNIVMPOLHF-UHFFFAOYSA-N 0 0 278.308 0.934 20 10 CCCDRN NC(=O)CNC(=S)NCc1ccc(N2CCCC2)cc1 ZINC000727074443 581303891 /nfs/dbraw/zinc/30/38/91/581303891.db2.gz HQBWFOSBJIIACX-UHFFFAOYSA-N 0 0 292.408 0.736 20 10 CCCDRN CN(C)c1ccc(CNC(=S)NCC(N)=O)cc1F ZINC000727083214 581306512 /nfs/dbraw/zinc/30/65/12/581306512.db2.gz IAQYSEQNUCCGCF-UHFFFAOYSA-N 0 0 284.360 0.341 20 10 CCCDRN O=C(N[C@@H](CO)Cc1ccncc1)c1cccc(O)c1O ZINC000793948978 581322748 /nfs/dbraw/zinc/32/27/48/581322748.db2.gz NTKUIZLXWIJZQN-LLVKDONJSA-N 0 0 288.303 0.826 20 10 CCCDRN O=C(C=Cc1ccc(O)c(O)c1)NN1CCCNC1=O ZINC000783600196 581351502 /nfs/dbraw/zinc/35/15/02/581351502.db2.gz HMCKNQDRSRYFTR-HYXAFXHYSA-N 0 0 277.280 0.558 20 10 CCCDRN COc1ccc(CNC(=O)c2ccc3nnnn3c2)c(O)c1 ZINC000794378175 581366558 /nfs/dbraw/zinc/36/65/58/581366558.db2.gz PYSMTTNGXUJSIV-UHFFFAOYSA-N 0 0 299.290 0.769 20 10 CCCDRN COc1ccc(CNS(=O)(=O)N2CCCC2)c(O)c1 ZINC000795357243 581404656 /nfs/dbraw/zinc/40/46/56/581404656.db2.gz LYYFAHZEZWXLAR-UHFFFAOYSA-N 0 0 286.353 0.831 20 10 CCCDRN COC(=O)c1ccc(O)c([C@@H](C)NCc2nnn(C)n2)c1 ZINC000787036762 581456427 /nfs/dbraw/zinc/45/64/27/581456427.db2.gz FIXKFWPDJDYFFF-MRVPVSSYSA-N 0 0 291.311 0.553 20 10 CCCDRN COc1cccc(CNC(=O)Nc2cnnn2C)c1O ZINC000787792722 581478970 /nfs/dbraw/zinc/47/89/70/581478970.db2.gz MDBNXAVGERIDRK-UHFFFAOYSA-N 0 0 277.284 0.851 20 10 CCCDRN COc1cccc(CNC(=O)c2nccc(N)n2)c1O ZINC000787924417 581481580 /nfs/dbraw/zinc/48/15/80/581481580.db2.gz VEVFKQYLLPNGRI-UHFFFAOYSA-N 0 0 274.280 0.533 20 10 CCCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCNC(N)=O)c1 ZINC000728979681 581526582 /nfs/dbraw/zinc/52/65/82/581526582.db2.gz KCHPZGPBEDITFL-MRVPVSSYSA-N 0 0 281.312 0.636 20 10 CCCDRN CNC(=O)c1cncc(/C=C\C(=O)N(C)c2cn[nH]c2)c1 ZINC000754348875 581586989 /nfs/dbraw/zinc/58/69/89/581586989.db2.gz HBDNZYNOVSNQFD-ARJAWSKDSA-N 0 0 285.307 0.841 20 10 CCCDRN COC[C@](C)(O)C(=O)NCCc1ccc(O)c(O)c1 ZINC000767785228 581630546 /nfs/dbraw/zinc/63/05/46/581630546.db2.gz IOOFBOORGOEZOK-ZDUSSCGKSA-N 0 0 269.297 0.154 20 10 CCCDRN COc1cccc(CNC(=O)[C@H]2CCNC(=O)C2)c1O ZINC000769507263 581692849 /nfs/dbraw/zinc/69/28/49/581692849.db2.gz BTYLBUVDKXKRFY-VIFPVBQESA-N 0 0 278.308 0.543 20 10 CCCDRN NC(=O)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000740742082 581716544 /nfs/dbraw/zinc/71/65/44/581716544.db2.gz HBKIJKHEADWYDO-UHFFFAOYSA-N 0 0 277.324 0.015 20 10 CCCDRN Cn1cc(C(=O)COC(=O)c2cccc(O)c2O)cn1 ZINC000758546553 581754753 /nfs/dbraw/zinc/75/47/53/581754753.db2.gz HBRBVGFSEMHMPY-UHFFFAOYSA-N 0 0 276.248 0.871 20 10 CCCDRN 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/nfs/dbraw/zinc/75/38/44/641753844.db2.gz FHAILKHSWDAXNW-HNNXBMFYSA-N 0 0 290.363 0.910 20 10 CCCDRN C[C@@H](NC(=O)[C@H]1COCCO1)c1ccccc1O ZINC000827923681 642050490 /nfs/dbraw/zinc/05/04/90/642050490.db2.gz XMYUQOBNPIEKBZ-BXKDBHETSA-N 0 0 251.282 0.985 20 10 CCCDRN O=C(NCCCn1ccnn1)c1c(F)ccc(O)c1O ZINC000828292277 642083413 /nfs/dbraw/zinc/08/34/13/642083413.db2.gz BJUUYODXXIREDE-UHFFFAOYSA-N 0 0 280.259 0.649 20 10 CCCDRN C[C@H](NC(=O)[C@@H]1CSCC(=O)N1)c1ccccc1O ZINC000828539781 642102754 /nfs/dbraw/zinc/10/27/54/642102754.db2.gz VCXYSWUTTXUQRS-WPRPVWTQSA-N 0 0 280.349 0.801 20 10 CCCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN1C=O ZINC000831924985 642410318 /nfs/dbraw/zinc/41/03/18/642410318.db2.gz QDUAFFOEKMNXHT-CMPLNLGQSA-N 0 0 292.335 0.766 20 10 CCCDRN C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)c1ccc(N(C)C)cc1 ZINC000832436227 642479684 /nfs/dbraw/zinc/47/96/84/642479684.db2.gz JMMOIQUFGGJBST-MFKMUULPSA-N 0 0 290.367 0.953 20 10 CCCDRN Nc1ccc(CCNC(=O)C2(C(=O)NC3CC3)CC2)cc1 ZINC000832658698 642510541 /nfs/dbraw/zinc/51/05/41/642510541.db2.gz ANSZXQULUKRFLM-UHFFFAOYSA-N 0 0 287.363 0.986 20 10 CCCDRN Cc1ccc(C(=O)OC[C@H]2COCCO2)c(O)c1O ZINC000837483286 642747824 /nfs/dbraw/zinc/74/78/24/642747824.db2.gz BRXAYTSDMLRSOY-SECBINFHSA-N 0 0 268.265 0.978 20 10 CCCDRN C[C@H]1NC(=O)N(CCOC(=O)c2cccc(O)c2O)C1=O ZINC000837648998 642759833 /nfs/dbraw/zinc/75/98/33/642759833.db2.gz ZBYFXKMRJTZREH-SSDOTTSWSA-N 0 0 294.263 0.195 20 10 CCCDRN NCC(F)(F)CNC(=O)NCc1ccccc1O ZINC000841970575 642863232 /nfs/dbraw/zinc/86/32/32/642863232.db2.gz AZKDHRPVTIYOFS-UHFFFAOYSA-N 0 0 259.256 0.785 20 10 CCCDRN CO[C@](C)(CO)CNC(=O)c1c(F)ccc(O)c1O ZINC000848390510 643631695 /nfs/dbraw/zinc/63/16/95/643631695.db2.gz RBIIDPWSSMFEQQ-LBPRGKRZSA-N 0 0 273.260 0.364 20 10 CCCDRN NC(=O)[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000854243480 644181906 /nfs/dbraw/zinc/18/19/06/644181906.db2.gz TUKJEPWSJFZFRN-SSDOTTSWSA-N 0 0 254.311 0.791 20 10 CCCDRN Cn1nccc1[C@@H](CO)NC(=O)C1=CC(=O)CS1 ZINC000854913350 644273522 /nfs/dbraw/zinc/27/35/22/644273522.db2.gz USEGGTQHYKQHQW-MRVPVSSYSA-N 0 0 267.310 0.651 20 10 CCCDRN O=C(c1cccc(O)c1O)N1CC[C@H](O)C(F)(F)C1 ZINC000855445317 644320567 /nfs/dbraw/zinc/32/05/67/644320567.db2.gz MAZGMGBMJVMPQT-VIFPVBQESA-N 0 0 273.235 0.940 20 10 CCCDRN C[C@@H]1CC[C@@H](NC(=O)c2cccc(O)c2O)CS1(=O)=O ZINC000855704581 644353737 /nfs/dbraw/zinc/35/37/37/644353737.db2.gz WYXPSQVMRFCHJB-RKDXNWHRSA-N 0 0 299.348 0.793 20 10 CCCDRN C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@H]1CO ZINC000857097999 644463621 /nfs/dbraw/zinc/46/36/21/644463621.db2.gz CBSLXRSCAMFAHS-MNOVXSKESA-N 0 0 291.351 0.684 20 10 CCCDRN NC(=O)C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000857261481 644490314 /nfs/dbraw/zinc/49/03/14/644490314.db2.gz PBXDYTYAWKXUHH-SSDOTTSWSA-N 0 0 282.271 0.574 20 10 CCCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCNC2=O)c1 ZINC000858597118 644637234 /nfs/dbraw/zinc/63/72/34/644637234.db2.gz LQAIAQJZBCIBKB-JTQLQIEISA-N 0 0 263.297 0.388 20 10 CCCDRN NC(=O)C[C@@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000862535721 645005618 /nfs/dbraw/zinc/00/56/18/645005618.db2.gz XDHAMJBTKIUBNW-LLVKDONJSA-N 0 0 268.288 0.608 20 10 CCCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](O)[C@@H]1CCCO1 ZINC000862657544 645018459 /nfs/dbraw/zinc/01/84/59/645018459.db2.gz JTWWHIBOUSDFHC-HHAVJRIZSA-N 0 0 293.319 0.767 20 10 CCCDRN Cc1ccc(O)c(CNC(=O)CCCC(N)=O)c1 ZINC000862759064 645034242 /nfs/dbraw/zinc/03/42/42/645034242.db2.gz UHIVJRVUCNAVKS-UHFFFAOYSA-N 0 0 250.298 0.972 20 10 CCCDRN Cc1ccc(O)c(CNC(=O)C2(S(C)(=O)=O)CC2)c1 ZINC000862755373 645034902 /nfs/dbraw/zinc/03/49/02/645034902.db2.gz FYWGQYJYVSOKCM-UHFFFAOYSA-N 0 0 283.349 0.894 20 10 CCCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1COCC[C@H]1O ZINC000871191006 646118687 /nfs/dbraw/zinc/11/86/87/646118687.db2.gz RQCSGDHOEHFHMM-JTNORFRNSA-N 0 0 279.292 0.377 20 10 CCCDRN Cc1ccc(CN2CCN(C(=O)[C@@H](C)O)CC2)c(O)c1 ZINC000876772564 646662094 /nfs/dbraw/zinc/66/20/94/646662094.db2.gz DVGDWIPMSKKLID-GFCCVEGCSA-N 0 0 278.352 0.726 20 10 CCCDRN C[C@@H](C(=O)N(C)c1ccc(N)cc1)N1CCN(C)CC1 ZINC000877076035 646726426 /nfs/dbraw/zinc/72/64/26/646726426.db2.gz LEZMXJKLKMZFAH-LBPRGKRZSA-N 0 0 276.384 0.868 20 10 CCCDRN C[C@H]1CO[C@H](CO)CN1C(=O)c1cccc(O)c1O ZINC000126495887 646808150 /nfs/dbraw/zinc/80/81/50/646808150.db2.gz NSRPGLJXLYQKQJ-IUCAKERBSA-N 0 0 267.281 0.320 20 10 CCCDRN COc1nn(C)cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000883965191 647591384 /nfs/dbraw/zinc/59/13/84/647591384.db2.gz VPDZMPXUPNMFAT-UHFFFAOYSA-N 0 0 291.307 0.812 20 10 CCCDRN C[C@H](CS(C)(=O)=O)C(=O)NCc1c(O)cccc1F ZINC000928705856 648658264 /nfs/dbraw/zinc/65/82/64/648658264.db2.gz OFDVXOKVAZREGE-MRVPVSSYSA-N 0 0 289.328 0.828 20 10 CCCDRN COC(=O)CNC(=O)[C@@H](C)Sc1nccs1 ZINC000048875903 649327604 /nfs/dbraw/zinc/32/76/04/649327604.db2.gz BROJGGUCYQEAPR-ZCFIWIBFSA-N 0 0 260.340 0.913 20 10 CCCDRN C[NH+](C)C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2O)CCO1 ZINC001231446182 805804467 /nfs/dbraw/zinc/80/44/67/805804467.db2.gz FJTCDWGAYMJXPJ-ZDUSSCGKSA-N 0 0 294.351 0.853 20 10 CCCDRN O=C([O-])c1ccc(CN2CC[N@@H+]3CC[C@H]2C3)c(O)c1 ZINC001231455263 805805751 /nfs/dbraw/zinc/80/57/51/805805751.db2.gz LVIMWZNXSUPYAI-LBPRGKRZSA-N 0 0 262.309 0.980 20 10 CCCDRN O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@@H](CO)C2)c1 ZINC001231564474 805818783 /nfs/dbraw/zinc/81/87/83/805818783.db2.gz RDXCRBQDNCCOHO-SECBINFHSA-N 0 0 251.282 0.905 20 10 CCCDRN CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(O)c(O)c(O)c1 ZINC001233012254 806006105 /nfs/dbraw/zinc/00/61/05/806006105.db2.gz KQIZFHYAEAUVHZ-GHMZBOCLSA-N 0 0 292.335 0.999 20 10 CCCDRN COC(=O)[C@@]1(C)COCCN1Cc1cc(O)c(O)c(O)c1 ZINC001233014956 806007407 /nfs/dbraw/zinc/00/74/07/806007407.db2.gz CGCACGDXSPGAAT-CQSZACIVSA-N 0 0 297.307 0.567 20 10 CCCDRN COC(=O)[C@H](C)N(C)Cc1cc(O)c(O)cc1O ZINC001233486068 806061943 /nfs/dbraw/zinc/06/19/43/806061943.db2.gz XBIGNYXECOFHQJ-ZETCQYMHSA-N 0 0 255.270 0.797 20 10 CCCDRN O=C1C[C@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)CO1 ZINC001233950007 806156502 /nfs/dbraw/zinc/15/65/02/806156502.db2.gz QRCGRZYRYOTRKF-LURJTMIESA-N 0 0 262.221 0.735 20 10 CCCDRN C[C@@H](CON)Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233948385 806156595 /nfs/dbraw/zinc/15/65/95/806156595.db2.gz GJCBZPKZKLSPAX-LURJTMIESA-N 0 0 251.242 0.699 20 10 CCCDRN C[C@H](NC(=O)NCc1nc(N)n[nH]1)c1ccccc1O ZINC001235060921 806363625 /nfs/dbraw/zinc/36/36/25/806363625.db2.gz JKYUNWGEYREGCM-ZETCQYMHSA-N 0 0 276.300 0.653 20 10 CCCDRN Nc1ccc(CNC(=O)c2cnc3n2CCOC3)cc1 ZINC001122536179 799257665 /nfs/dbraw/zinc/25/76/65/799257665.db2.gz UKRTVRPCKDHQGY-UHFFFAOYSA-N 0 0 272.308 0.926 20 10 CCCDRN Nc1ccc(CNC(=O)CO[C@@H]2CCOC2)cc1 ZINC001122536371 799257746 /nfs/dbraw/zinc/25/77/46/799257746.db2.gz ZYTYKYMJMIPFRV-GFCCVEGCSA-N 0 0 250.298 0.691 20 10 CCCDRN COc1cccc(CNC(=O)N[C@@]2(C)CCOC2=O)c1O ZINC001123765655 799469323 /nfs/dbraw/zinc/46/93/23/799469323.db2.gz IYMICMLZESRGRD-AWEZNQCLSA-N 0 0 294.307 0.906 20 10 CCCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC(OCCO)CC1 ZINC001137579268 799674864 /nfs/dbraw/zinc/67/48/64/799674864.db2.gz OGEAWXBDHIZKBE-UHFFFAOYSA-N 0 0 295.335 0.640 20 10 CCCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)[C@@H]1CCOC1 ZINC001137916570 799695495 /nfs/dbraw/zinc/69/54/95/799695495.db2.gz QZBBFHCCRNDZDB-MNOVXSKESA-N 0 0 281.308 0.154 20 10 CCCDRN Cc1nn(C)cc1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001138178276 799709784 /nfs/dbraw/zinc/70/97/84/799709784.db2.gz ZVHTYXRNCMHTPA-UHFFFAOYSA-N 0 0 275.308 0.999 20 10 CCCDRN O=C1CN(Cc2ccc(N3CCOCC3)cc2F)CCN1 ZINC001140662494 799928256 /nfs/dbraw/zinc/92/82/56/799928256.db2.gz WLHRMPSVYMIMNE-UHFFFAOYSA-N 0 0 293.342 0.594 20 10 CCCDRN CCN1C(=O)CN(Cc2ccc(O)c(C)c2O)CC1=O ZINC001140744458 799937385 /nfs/dbraw/zinc/93/73/85/799937385.db2.gz YAMJOCXEAKLEIE-UHFFFAOYSA-N 0 0 278.308 0.597 20 10 CCCDRN NC(=O)c1[nH]nc2c1CN(Cc1cc(F)ccc1O)C2 ZINC001278254577 806792950 /nfs/dbraw/zinc/79/29/50/806792950.db2.gz ADPJBHSHESSHJV-UHFFFAOYSA-N 0 0 276.271 0.869 20 10 CCCDRN O=C1CN(Cc2cc(O)ccc2O)CC(=O)N1C1CC1 ZINC001141156064 799984280 /nfs/dbraw/zinc/98/42/80/799984280.db2.gz DRTZSUUMRPSUKH-UHFFFAOYSA-N 0 0 276.292 0.431 20 10 CCCDRN CC(=O)NC1CN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143666 799985600 /nfs/dbraw/zinc/98/56/00/799985600.db2.gz FHZUYBMODNJLET-UHFFFAOYSA-N 0 0 275.352 0.836 20 10 CCCDRN COC(C)(C)C(=O)NCCc1cc(O)c(O)cc1O ZINC001143329923 800231076 /nfs/dbraw/zinc/23/10/76/800231076.db2.gz BWMRCBYFMNBJLC-UHFFFAOYSA-N 0 0 269.297 0.887 20 10 CCCDRN CC(C)(C(N)=O)C(=O)NCc1cc(O)ccc1O ZINC001153884308 800677148 /nfs/dbraw/zinc/67/71/48/800677148.db2.gz BJRHZIRGCFQEES-UHFFFAOYSA-N 0 0 252.270 0.226 20 10 CCCDRN CCCn1cc(CNC(=O)Cc2ccc(O)c(O)c2)nn1 ZINC001153948793 800693947 /nfs/dbraw/zinc/69/39/47/800693947.db2.gz ZMTKEZJJTSBADC-UHFFFAOYSA-N 0 0 290.323 0.958 20 10 CCCDRN O=C(NCc1ccccc1O)c1cnn2c1OCC2 ZINC001156188580 801125617 /nfs/dbraw/zinc/12/56/17/801125617.db2.gz ZCKADHDGEILWJP-UHFFFAOYSA-N 0 0 259.265 0.911 20 10 CCCDRN Nc1ccc(CC(=O)N2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC001157904463 801514521 /nfs/dbraw/zinc/51/45/21/801514521.db2.gz MPTQENNQUBIILB-WCQYABFASA-N 0 0 264.325 0.013 20 10 CCCDRN CCOC(=O)[C@H]1CNCCN1C(=O)Cc1ccc(N)cc1 ZINC001158007021 801551902 /nfs/dbraw/zinc/55/19/02/801551902.db2.gz PXZSXOSNUDXXEZ-CYBMUJFWSA-N 0 0 291.351 0.175 20 10 CCCDRN COC(=O)/C=C/[C@@H](C)NC(=O)c1cccc(O)c1O ZINC001159782644 801868334 /nfs/dbraw/zinc/86/83/34/801868334.db2.gz HRPSOFSFSMFVPA-HYDMIIDASA-N 0 0 265.265 0.945 20 10 CCCDRN O=C([C@@H]1COCCN1)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924685 802048493 /nfs/dbraw/zinc/04/84/93/802048493.db2.gz OQBOTMURAAIXDN-LBPRGKRZSA-N 0 0 292.335 0.361 20 10 CCCDRN CNC(=O)N[C@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203881549 803051014 /nfs/dbraw/zinc/05/10/14/803051014.db2.gz QPZROHCVTRXOIP-NSHDSACASA-N 0 0 279.340 0.991 20 10 CCCDRN O=C1COC[C@@H]2CN(Cc3ccc(O)cc3O)CCN12 ZINC001204280368 803075868 /nfs/dbraw/zinc/07/58/68/803075868.db2.gz KCAAUUVAIJYPDV-NSHDSACASA-N 0 0 278.308 0.141 20 10 CCCDRN COc1cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)cc(O)c1O ZINC001204343827 803079620 /nfs/dbraw/zinc/07/96/20/803079620.db2.gz SPZKAPZOKGDXEF-GZMMTYOYSA-N 0 0 253.298 0.919 20 10 CCCDRN COc1cc(CN2CC(OC(C)=O)C2)cc(O)c1O ZINC001204344406 803080137 /nfs/dbraw/zinc/08/01/37/803080137.db2.gz GVZOCCAXFOFMFP-UHFFFAOYSA-N 0 0 267.281 0.854 20 10 CCCDRN COc1cc(CN2CCOC[C@H](O)C2)cc(O)c1O ZINC001204343409 803080327 /nfs/dbraw/zinc/08/03/27/803080327.db2.gz PLXDIBVOBKKVBL-SNVBAGLBSA-N 0 0 269.297 0.300 20 10 CCCDRN COC[C@@H]1CN(Cc2cc(O)c(O)c(OC)c2)CCO1 ZINC001204346743 803081384 /nfs/dbraw/zinc/08/13/84/803081384.db2.gz XXZOANBDEGJUHK-NSHDSACASA-N 0 0 283.324 0.954 20 10 CCCDRN [NH3+][C@@H]1CCN(Cc2c([O-])cc(F)cc2F)C[C@H]1O ZINC001205959642 803191908 /nfs/dbraw/zinc/19/19/08/803191908.db2.gz RBGAARKBWOCGFV-ZYHUDNBSSA-N 0 0 258.268 0.564 20 10 CCCDRN Nc1ccc(CC(=O)N2CCN(CCF)CC2)cc1 ZINC000402619758 803825441 /nfs/dbraw/zinc/82/54/41/803825441.db2.gz YISBLYQCNUXVCN-UHFFFAOYSA-N 0 0 265.332 0.925 20 10 CCCDRN Cc1ccc(O)c(CNC(=O)Nc2nnn(C)n2)c1 ZINC001219979786 804462862 /nfs/dbraw/zinc/46/28/62/804462862.db2.gz UBAMCCAMGSBYJO-UHFFFAOYSA-N 0 0 262.273 0.546 20 10 CCCDRN N[C@@H](C(=O)NCC(=O)c1ccc(O)c(O)c1)C(F)(F)F ZINC001220489532 804613399 /nfs/dbraw/zinc/61/33/99/804613399.db2.gz ACWGAGYIAWLQRI-VIFPVBQESA-N 0 0 292.213 0.286 20 10 CCCDRN Cn1ccc2c1cccc2-c1nn(C)c(=O)n(C)c1=O ZINC001241822172 806982423 /nfs/dbraw/zinc/98/24/23/806982423.db2.gz GAAIRNRMMVBJKN-UHFFFAOYSA-N 0 0 270.292 0.638 20 10 CCCDRN Nc1ccc(CC(=O)N[C@@H]2CCCNC(=O)C2)cc1 ZINC001221269747 804761952 /nfs/dbraw/zinc/76/19/52/804761952.db2.gz WZZCMEKQYHLLNI-GFCCVEGCSA-N 0 0 261.325 0.596 20 10 CCCDRN CC1(C)C(=O)NC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC001221371473 804792078 /nfs/dbraw/zinc/79/20/78/804792078.db2.gz YGNRTOUENWASRQ-NSHDSACASA-N 0 0 261.325 0.452 20 10 CCCDRN NC(=O)c1[nH]nc2c1CN(Cc1ccc(O)cc1O)CC2 ZINC001277192065 805333890 /nfs/dbraw/zinc/33/38/90/805333890.db2.gz KHOHYUWQNLTZAP-UHFFFAOYSA-N 0 0 288.307 0.478 20 10 CCCDRN CCn1ccc(-c2cnn(CCS(C)(=O)=O)c2)cc1=O ZINC001245481975 807082019 /nfs/dbraw/zinc/08/20/19/807082019.db2.gz HTWHOGHKEODLCJ-UHFFFAOYSA-N 0 0 295.364 0.776 20 10 CCCDRN 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SDKPACDJHCOJLU-OWXODZSWSA-N 0 0 281.333 0.752 20 10 CCCDRN O=C(NC[C@@H]1CN(C2CC2)C(=O)O1)c1cccc(O)c1O ZINC000848365262 643628336 /nfs/dbraw/zinc/62/83/36/643628336.db2.gz WNZUNELQYMDQPW-SECBINFHSA-N 0 0 292.291 0.811 20 10 CCCDRN Nc1ccc(-n2cc(CCN3CCOCC3)nn2)cc1 ZINC000849134932 643710120 /nfs/dbraw/zinc/71/01/20/643710120.db2.gz XGCWEDWQTDCUTK-UHFFFAOYSA-N 0 0 273.340 0.724 20 10 CCCDRN Cc1ccc(C(=O)NC[C@H]2CCN(C(N)=O)C2)c(O)c1O ZINC000854432628 644201797 /nfs/dbraw/zinc/20/17/97/644201797.db2.gz AAXYVCYOZIYIMW-SECBINFHSA-N 0 0 293.323 0.537 20 10 CCCDRN O=C(N[C@H](CO)[C@@H]1CCCOC1)C1=CC(=O)CS1 ZINC000854936212 644274585 /nfs/dbraw/zinc/27/45/85/644274585.db2.gz KLVFEWOZUAVSKR-PSASIEDQSA-N 0 0 271.338 0.971 20 10 CCCDRN NC(=O)[C@H]1C[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000858770390 644649666 /nfs/dbraw/zinc/64/96/66/644649666.db2.gz SIABORUZPNLMHO-MGCOHNPYSA-N 0 0 263.297 0.455 20 10 CCCDRN C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)[C@@H]1CCC(=O)N1 ZINC000860237536 644782061 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646119451 /nfs/dbraw/zinc/11/94/51/646119451.db2.gz RBXKEEHTWHQDBB-UHFFFAOYSA-N 0 0 296.348 0.270 20 10 CCCDRN O=C(N1Cc2cccc(O)c2C1)C1(n2cnnn2)CC1 ZINC000871206069 646120730 /nfs/dbraw/zinc/12/07/30/646120730.db2.gz QKIJQCKRGODBKR-UHFFFAOYSA-N 0 0 271.280 0.410 20 10 CCCDRN [O-]c1c(F)c(F)ccc1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000877585958 646826702 /nfs/dbraw/zinc/82/67/02/646826702.db2.gz YHHYGOVBWGTSHE-VIFPVBQESA-N 0 0 284.266 0.413 20 10 CCCDRN O=C(c1cccc(O)c1O)N1CC(N2CCCC2=O)C1 ZINC000888754793 646887624 /nfs/dbraw/zinc/88/76/24/646887624.db2.gz UNSUHWLHKCLKQH-UHFFFAOYSA-N 0 0 276.292 0.545 20 10 CCCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1C[C@H](CO)C1 ZINC000886889856 648032606 /nfs/dbraw/zinc/03/26/06/648032606.db2.gz LQMJXYLCBCMSPB-DBIJYSLRSA-N 0 0 263.293 0.998 20 10 CCCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CCC(=O)NC1 ZINC000928712324 648659593 /nfs/dbraw/zinc/65/95/93/648659593.db2.gz RGAHZJRACKBICU-MRVPVSSYSA-N 0 0 266.272 0.674 20 10 CCCDRN COc1ccc(O)c(CN2Cc3n[nH]c(C(N)=O)c3C2)c1 ZINC001277462753 805646674 /nfs/dbraw/zinc/64/66/74/805646674.db2.gz AOAUQWHYORNJCW-UHFFFAOYSA-N 0 0 288.307 0.739 20 10 CCCDRN NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231449112 805803126 /nfs/dbraw/zinc/80/31/26/805803126.db2.gz VIPBOPIZXWDJCS-JTQLQIEISA-N 0 0 264.281 0.540 20 10 CCCDRN CO[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2O)C[C@@H]1OC ZINC001231561267 805818490 /nfs/dbraw/zinc/81/84/90/805818490.db2.gz QXGHNNWQLQQSBI-BETUJISGSA-N 0 0 281.308 0.936 20 10 CCCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c1 ZINC001231560372 805815731 /nfs/dbraw/zinc/81/57/31/805815731.db2.gz IELBBJPVLUHIIS-HNNXBMFYSA-N 0 0 290.319 0.802 20 10 CCCDRN COc1cc(CN2CCN(C(N)=O)CC2)c(O)cc1O ZINC001231636110 805821805 /nfs/dbraw/zinc/82/18/05/805821805.db2.gz KDAJLHLNHBRNKZ-UHFFFAOYSA-N 0 0 281.312 0.303 20 10 CCCDRN NC(=O)c1noc2c1CN(Cc1cc(O)ccc1O)CC2 ZINC001277656786 805930620 /nfs/dbraw/zinc/93/06/20/805930620.db2.gz ISKHUCBIVHNLDC-UHFFFAOYSA-N 0 0 289.291 0.743 20 10 CCCDRN COC(=O)[C@@H]1CN(Cc2cc(O)c(O)c(O)c2)CCN1C ZINC001233014787 806006380 /nfs/dbraw/zinc/00/63/80/806006380.db2.gz CBOADYVALSCBEG-JTQLQIEISA-N 0 0 296.323 0.092 20 10 CCCDRN CC(=O)NC1CN(Cc2c(O)ccc(F)c2F)C1 ZINC001233334688 806041977 /nfs/dbraw/zinc/04/19/77/806041977.db2.gz PUVJDIMGTXTPGM-UHFFFAOYSA-N 0 0 256.252 0.991 20 10 CCCDRN NC(=O)N[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000690736591 791518495 /nfs/dbraw/zinc/51/84/95/791518495.db2.gz BHCWIJLGLDWUMP-LLVKDONJSA-N 0 0 262.313 0.081 20 10 CCCDRN COC[C@H](O)CNC(=O)NCc1ccc(N)cc1 ZINC001120677544 798912830 /nfs/dbraw/zinc/91/28/30/798912830.db2.gz RTTNYULJPUDLHF-LLVKDONJSA-N 0 0 253.302 0.075 20 10 CCCDRN COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)CC[NH3+] ZINC001237733137 806715123 /nfs/dbraw/zinc/71/51/23/806715123.db2.gz UNKCFCFWHJEXMC-UHFFFAOYSA-N 0 0 292.288 0.018 20 10 CCCDRN C[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CCS1(=O)=O ZINC001122344986 799206922 /nfs/dbraw/zinc/20/69/22/799206922.db2.gz NOUPRDIMLHDBKX-ZWNOBZJWSA-N 0 0 296.392 0.893 20 10 CCCDRN O=C(NCc1cccc(O)c1O)[C@H]1CC(=O)N(C2CC2)C1 ZINC001123887303 799495570 /nfs/dbraw/zinc/49/55/70/799495570.db2.gz AJIYKKOWHGQLBL-JTQLQIEISA-N 0 0 290.319 0.725 20 10 CCCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001139685658 799829770 /nfs/dbraw/zinc/82/97/70/799829770.db2.gz RWNRXBSUSLOKKM-PELKAZGASA-N 0 0 273.279 0.846 20 10 CCCDRN NC(=O)N1CC[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001140242398 799891473 /nfs/dbraw/zinc/89/14/73/799891473.db2.gz KPELDYZYHNFNDG-SNVBAGLBSA-N 0 0 293.323 0.157 20 10 CCCDRN COC(=O)[C@H]1CN(C)CCN1Cc1ccc(O)c(C)c1O ZINC001140749731 799939089 /nfs/dbraw/zinc/93/90/89/799939089.db2.gz KWUZUBVKQGRBSG-GFCCVEGCSA-N 0 0 294.351 0.695 20 10 CCCDRN CS(=O)(=O)C1CN(Cc2cc(O)ccc2O)C1 ZINC001141160371 799985451 /nfs/dbraw/zinc/98/54/51/799985451.db2.gz WBQDIYJVXIQNGZ-UHFFFAOYSA-N 0 0 257.311 0.327 20 10 CCCDRN CC(=O)[C@@H]1CN(Cc2cc(O)ccc2O)CCO1 ZINC001141162741 799986398 /nfs/dbraw/zinc/98/63/98/799986398.db2.gz BOKHTXPFKWQZBL-ZDUSSCGKSA-N 0 0 251.282 0.888 20 10 CCCDRN O=C(Cn1nccn1)N1CCCc2cc(O)c(O)cc2C1 ZINC001142189627 800092038 /nfs/dbraw/zinc/09/20/38/800092038.db2.gz AHQVJXXFHQYAOT-UHFFFAOYSA-N 0 0 288.307 0.664 20 10 CCCDRN NC(=O)C1(C(=O)N2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001143159025 800200457 /nfs/dbraw/zinc/20/04/57/800200457.db2.gz KDUSSKBFNWKVIV-UHFFFAOYSA-N 0 0 290.319 0.638 20 10 CCCDRN Cc1ccn(CC(=O)NCc2cccc(O)c2O)c(=O)c1 ZINC001153798030 800668775 /nfs/dbraw/zinc/66/87/75/800668775.db2.gz IUMQSZPANGOTBS-UHFFFAOYSA-N 0 0 288.303 0.884 20 10 CCCDRN CN(C)C(=O)/C=C/C(=O)NCc1cc(O)ccc1O ZINC001153888224 800686057 /nfs/dbraw/zinc/68/60/57/800686057.db2.gz BDJFOBOOBMXAPC-AATRIKPKSA-N 0 0 264.281 0.358 20 10 CCCDRN Cn1cncc1CCNC(=O)Cc1ccc(O)c(O)c1 ZINC001154131858 800726002 /nfs/dbraw/zinc/72/60/02/800726002.db2.gz WBKCLYHZVVBZFD-UHFFFAOYSA-N 0 0 275.308 0.733 20 10 CCCDRN O=C(NCc1c(O)cccc1F)C1=C2CCCN=C2NN1 ZINC001156178050 801121572 /nfs/dbraw/zinc/12/15/72/801121572.db2.gz UAVQGCMMCSNPTG-UHFFFAOYSA-N 0 0 290.298 0.702 20 10 CCCDRN 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O=C(c1cccc(O)c1O)N1CC(CN2CCOCC2)C1 ZINC000854589784 644230092 /nfs/dbraw/zinc/23/00/92/644230092.db2.gz XRHUHKKQILLCOR-UHFFFAOYSA-N 0 0 292.335 0.502 20 10 CCCDRN CS(=O)(=O)C1CN(C(=O)C2=CC(=O)CS2)C1 ZINC000854891331 644269806 /nfs/dbraw/zinc/26/98/06/644269806.db2.gz KYTXXQOYKLCOKJ-UHFFFAOYSA-N 0 0 261.324 0.323 20 10 CCCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000854900114 644270903 /nfs/dbraw/zinc/27/09/03/644270903.db2.gz RVYZCSPRSNJZFC-IUCAKERBSA-N 0 0 282.321 0.183 20 10 CCCDRN Cn1nccc1[C@H](CO)NC(=O)C1=CC(=O)CS1 ZINC000854913351 644273199 /nfs/dbraw/zinc/27/31/99/644273199.db2.gz USEGGTQHYKQHQW-QMMMGPOBSA-N 0 0 267.310 0.651 20 10 CCCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCNC1=O ZINC000855022654 644283126 /nfs/dbraw/zinc/28/31/26/644283126.db2.gz FEGIBRAFTYUEBT-VIFPVBQESA-N 0 0 268.700 0.798 20 10 CCCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCN2CC[C@H](O)C2)c1 ZINC000858338428 644610070 /nfs/dbraw/zinc/61/00/70/644610070.db2.gz HIAAHWHXRMARGB-LBPRGKRZSA-N 0 0 281.312 0.457 20 10 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CCOc1cccc(C[NH2+][C@@](C)(CO)C(=O)[O-])c1O ZINC001597155294 986949724 /nfs/dbraw/zinc/94/97/24/986949724.db2.gz MQXIJDBSWMBCDE-ZDUSSCGKSA-N 0 0 269.297 0.716 20 10 CCCDRN C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc(C(=O)[O-])ccc1O ZINC001593354840 994997253 /nfs/dbraw/zinc/99/72/53/994997253.db2.gz YOLGWSOYTVROTC-XTWCZFFVSA-N 0 0 281.308 0.891 20 10 CCCDRN COc1cc(C)cc(C[NH2+][C@@](C)(CO)C(=O)[O-])c1O ZINC001599391970 997054749 /nfs/dbraw/zinc/05/47/49/997054749.db2.gz HUMMJIUUWHNHLT-ZDUSSCGKSA-N 0 0 269.297 0.634 20 10 CCCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CNC(N)=O ZINC000332668488 529785989 /nfs/dbraw/zinc/78/59/89/529785989.db2.gz GSFOBYQMHVYFJY-UHFFFAOYSA-N 0 0 278.312 0.146 20 10 CCCDRN COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1ccccc1O ZINC000188788606 351629093 /nfs/dbraw/zinc/62/90/93/351629093.db2.gz SCKLWGYCABQREK-STQMWFEESA-N 0 0 265.309 0.891 20 10 CCCDRN CC(C)(C)[C@@H](NC(=O)c1cccc(O)c1O)C(N)=O ZINC000193139117 351813574 /nfs/dbraw/zinc/81/35/74/351813574.db2.gz YKNAZHCPONAEEC-JTQLQIEISA-N 0 0 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CCCDRN CCOc1ccc(O)c(CN2C[C@H](O)C[C@H]2C(=O)OC)c1 ZINC000271161060 353027942 /nfs/dbraw/zinc/02/79/42/353027942.db2.gz KZENCHXLONGJAT-YPMHNXCESA-N 0 0 295.335 0.899 20 10 CCCDRN C[C@H](CC(N)=O)C(=O)N(C)Cc1ccccc1O ZINC000283353267 353503165 /nfs/dbraw/zinc/50/31/65/353503165.db2.gz IQIZKBQGDITERZ-SECBINFHSA-N 0 0 250.298 0.862 20 10 CCCDRN COCCN1CN(C(=O)c2c(F)ccc(O)c2O)CC1=O ZINC000295836031 353921346 /nfs/dbraw/zinc/92/13/46/353921346.db2.gz CYCPSYWFHPKUQT-UHFFFAOYSA-N 0 0 298.270 0.125 20 10 CCCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1CC(=O)N1 ZINC000611657791 363755864 /nfs/dbraw/zinc/75/58/64/363755864.db2.gz OJNWYMOZMUTYRM-JTQLQIEISA-N 0 0 289.335 0.757 20 10 CCCDRN CCOc1ccc(O)c(CN2C[C@@H](C)O[C@H](C(N)=O)C2)c1 ZINC000092007935 389027526 /nfs/dbraw/zinc/02/75/26/389027526.db2.gz HVRHRYXWAAHYIF-YGRLFVJLSA-N 0 0 294.351 0.866 20 10 CCCDRN Cn1ncnc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000091182987 389022607 /nfs/dbraw/zinc/02/26/07/389022607.db2.gz DKQASMSOLNLWHP-UHFFFAOYSA-N 0 0 277.284 0.591 20 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CCCDRN Cc1ccc(C(=O)NC[C@H](CO)[C@H]2CCOC2)c(O)c1O ZINC000281810692 389624578 /nfs/dbraw/zinc/62/45/78/389624578.db2.gz NJKGMHJNURNSQF-WDEREUQCSA-N 0 0 295.335 0.781 20 10 CCCDRN Cc1ccc(C(=O)N2CCCC[C@H]2C(N)=O)c(O)c1O ZINC000181948060 389696294 /nfs/dbraw/zinc/69/62/94/389696294.db2.gz NLOTVNRMCLVQNJ-JTQLQIEISA-N 0 0 278.308 0.886 20 10 CCCDRN Cc1ccc(C(=O)NC[C@H](O)[C@H]2CCCO2)c(O)c1O ZINC000529764032 390858739 /nfs/dbraw/zinc/85/87/39/390858739.db2.gz GFOQFPRZJXDDPZ-WDEREUQCSA-N 0 0 281.308 0.676 20 10 CCCDRN COc1cc([C@@H]2NC(=O)[C@@H]3CSCCN32)cc(O)c1O ZINC000270759360 286245934 /nfs/dbraw/zinc/24/59/34/286245934.db2.gz FBMXUBGYUCOVTF-QPUJVOFHSA-N 0 0 296.348 0.652 20 10 CCCDRN CN1C(=O)C(=CNCCc2ccccc2)C(=O)N(C)C1=O ZINC000028614974 171566847 /nfs/dbraw/zinc/56/68/47/171566847.db2.gz ZAIKHZBFVTWHBB-UHFFFAOYSA-N 0 0 287.319 0.753 20 10 CCCDRN CCCN(CC(=O)NC)C(=O)c1cccc(O)c1O ZINC000126327094 260350062 /nfs/dbraw/zinc/35/00/62/260350062.db2.gz XWMINMQZEIZHIL-UHFFFAOYSA-N 0 0 266.297 0.696 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CCCDRN COCC[C@H](NC(=O)c1ccc(C)c(O)c1O)C(=O)OC ZINC000292146059 521969559 /nfs/dbraw/zinc/96/95/59/521969559.db2.gz ITBKVXGRCLMSMX-JTQLQIEISA-N 0 0 297.307 0.714 20 10 CCCDRN CN(C)c1ccc(CNS(=O)(=O)[C@@H]2CCOC2)cc1 ZINC000265372204 522210236 /nfs/dbraw/zinc/21/02/36/522210236.db2.gz ASTGXZMKOCXTFD-CYBMUJFWSA-N 0 0 284.381 0.961 20 10 CCCDRN COC(=O)[C@@H](NCc1cc(OC)c(OC)cc1O)[C@H](C)O ZINC000276399709 523631400 /nfs/dbraw/zinc/63/14/00/523631400.db2.gz CYXWPPFAFXGHRG-SDBXPKJASA-N 0 0 299.323 0.421 20 10 CCCDRN COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000126488420 523712016 /nfs/dbraw/zinc/71/20/16/523712016.db2.gz QDKPFYHLDWLTOB-MRVPVSSYSA-N 0 0 265.265 0.733 20 10 CCCDRN COC(=O)[C@H]1CC[C@@H](C(=O)NCc2ccc(O)c(O)c2)O1 ZINC000292057445 523964903 /nfs/dbraw/zinc/96/49/03/523964903.db2.gz FXZILZJZARIILI-NWDGAFQWSA-N 0 0 295.291 0.435 20 10 CCCDRN CN1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1=O ZINC000272707123 523983486 /nfs/dbraw/zinc/98/34/86/523983486.db2.gz XFCJKBHVTNPJEV-GFAPAMAISA-N 0 0 276.292 0.458 20 10 CCCDRN CO[C@H]1COC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000292186171 524009784 /nfs/dbraw/zinc/00/97/84/524009784.db2.gz YPLWKZFDPNGUQJ-KHDIDITISA-N 0 0 279.292 0.641 20 10 CCCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncn(C)n1 ZINC000291696470 524700508 /nfs/dbraw/zinc/70/05/08/524700508.db2.gz OLMCBXCOIMVREI-MRVPVSSYSA-N 0 0 276.296 0.587 20 10 CCCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)NC1CC1 ZINC000274931735 524892584 /nfs/dbraw/zinc/89/25/84/524892584.db2.gz NSSMXELOFMCIEB-QMMMGPOBSA-N 0 0 278.308 0.424 20 10 CCCDRN Cc1ccc(C(=O)NC[C@@H](CO)[C@@H]2CCOC2)c(O)c1O ZINC000281810688 526173048 /nfs/dbraw/zinc/17/30/48/526173048.db2.gz NJKGMHJNURNSQF-MNOVXSKESA-N 0 0 295.335 0.781 20 10 CCCDRN C[C@@H]1OC(=O)N[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000788642645 581119394 /nfs/dbraw/zinc/11/93/94/581119394.db2.gz XUTWAIRDDGHYAE-KWQFWETISA-N 0 0 264.281 0.848 20 10 CCCDRN Cc1ccc(C(=O)N2C[C@H](CO)OC[C@@H]2C)c(O)c1O ZINC000780984793 581130540 /nfs/dbraw/zinc/13/05/40/581130540.db2.gz 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CCCDRN CCN(CCS(C)(=O)=O)C(=O)Cc1ccc(N)cc1 ZINC000688585457 849184381 /nfs/dbraw/zinc/18/43/81/849184381.db2.gz WVVWWSCKSLBHFE-UHFFFAOYSA-N 0 0 284.381 0.704 20 10 CCCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000383929627 849278390 /nfs/dbraw/zinc/27/83/90/849278390.db2.gz JEWUUVXIHXUFTO-NSHDSACASA-N 0 0 283.349 0.785 20 10 CCCDRN O=C(NCc1ccc(O)c(O)c1)c1ccnc(CO)c1 ZINC001137443477 853800322 /nfs/dbraw/zinc/80/03/22/853800322.db2.gz RIYQGHRRKMCTNQ-UHFFFAOYSA-N 0 0 274.276 0.915 20 10 CCCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccon1 ZINC001116560197 855787621 /nfs/dbraw/zinc/78/76/21/855787621.db2.gz DFXIPXFFUVSHSF-UHFFFAOYSA-N 0 0 261.237 0.635 20 10 CCCDRN CCOC(=O)COCCNC(=O)C1=CC(=O)CS1 ZINC001118705831 856404202 /nfs/dbraw/zinc/40/42/02/856404202.db2.gz YWPFQXNJGNBIAW-UHFFFAOYSA-N 0 0 273.310 0.763 20 10 CCCDRN COc1cccc(CNC(=O)[C@H]2CCNC(=O)CC2)c1O ZINC001324996706 913142031 /nfs/dbraw/zinc/14/20/31/913142031.db2.gz RUXNWZHOZMGXCM-SNVBAGLBSA-N 0 0 292.335 0.933 20 10 CCCDRN 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C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CO[C@@H]1CCOC1 ZINC001338276767 921415498 /nfs/dbraw/zinc/41/54/98/921415498.db2.gz NNMBWPLCHPPTOU-ZYHUDNBSSA-N 0 0 295.335 0.951 20 10 CCCDRN COc1cccc(CNC(=O)C(=O)Nc2ccon2)c1O ZINC001320229762 910544770 /nfs/dbraw/zinc/54/47/70/910544770.db2.gz LBUNLGPNNYLECP-UHFFFAOYSA-N 0 0 291.263 0.644 20 10 CCCDRN O=C(NCc1nnc2n1CCOC2)c1cccc(O)c1O ZINC001320699478 910812802 /nfs/dbraw/zinc/81/28/02/910812802.db2.gz LRSMMNKZRZQMOD-UHFFFAOYSA-N 0 0 290.279 0.150 20 10 CCCDRN COC(=O)NC1CN(C(=O)c2cccc(O)c2O)C1 ZINC001321034384 911032917 /nfs/dbraw/zinc/03/29/17/911032917.db2.gz FDMPWTPSFFBKHO-UHFFFAOYSA-N 0 0 266.253 0.278 20 10 CCCDRN COc1cccc(O)c1CNCc1nnc2n1CCOC2 ZINC001321069441 911064081 /nfs/dbraw/zinc/06/40/81/911064081.db2.gz DAUZBCKTNZPWKM-UHFFFAOYSA-N 0 0 290.323 0.812 20 10 CCCDRN COC[C@@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001329046694 915622350 /nfs/dbraw/zinc/62/23/50/915622350.db2.gz HIFPMXJRFJXYLO-SNVBAGLBSA-N 0 0 280.324 0.502 20 10 CCCDRN Nc1ccc(CCNC(=O)C(=O)NC[C@@H]2CCCO2)cc1 ZINC001329837444 916214000 /nfs/dbraw/zinc/21/40/00/916214000.db2.gz JBNFZAILHQJZIS-ZDUSSCGKSA-N 0 0 291.351 0.223 20 10 CCCDRN O=C(NC[C@@H]1CCCO1)C(=O)N1Cc2cccc(O)c2C1 ZINC001330323599 916556274 /nfs/dbraw/zinc/55/62/74/916556274.db2.gz WWGUUUQFGLFEHK-NSHDSACASA-N 0 0 290.319 0.530 20 10 CCCDRN C[C@@H]1C[C@H]1NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001330469774 916652777 /nfs/dbraw/zinc/65/27/77/916652777.db2.gz SNEGSFZMNVGAGJ-LDYMZIIASA-N 0 0 260.293 0.759 20 10 CCCDRN C[C@@H](O)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC001334081519 919357539 /nfs/dbraw/zinc/35/75/39/919357539.db2.gz APACIFWVJVPIMB-PELKAZGASA-N 0 0 251.282 0.545 20 10 CCCDRN Nc1ccc(CC(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC001340889160 922260744 /nfs/dbraw/zinc/26/07/44/922260744.db2.gz PFSNIVVNKWQWFR-CQSZACIVSA-N 0 0 275.352 0.354 20 10 CCCDRN Nc1ccc(Cc2noc([C@@H]3CCS(=O)(=O)N3)n2)cc1 ZINC001346141758 924083195 /nfs/dbraw/zinc/08/31/95/924083195.db2.gz NAZLQBUXZWANSD-JTQLQIEISA-N 0 0 294.336 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CCCDRN C[C@H]1CN(Cc2cc(O)c(O)cc2O)CC(=O)N1 ZINC001233483102 806059026 /nfs/dbraw/zinc/05/90/26/806059026.db2.gz NSOZCSBVUIMJSD-ZETCQYMHSA-N 0 0 252.270 0.124 20 10 CCCDRN Oc1cc(O)c(CN2CCn3ncnc3C2)cc1O ZINC001233482418 806059057 /nfs/dbraw/zinc/05/90/57/806059057.db2.gz MWPIIQALTOOAHV-UHFFFAOYSA-N 0 0 262.269 0.411 20 10 CCCDRN NC(=O)[C@@H]1C[C@H](F)CN1Cc1cc(O)c(O)cc1O ZINC001233485859 806061894 /nfs/dbraw/zinc/06/18/94/806061894.db2.gz NNDRXYHKEUGJFZ-YUMQZZPRSA-N 0 0 270.260 0.201 20 10 CCCDRN CN(Cc1ccccc1O)C(=O)NCC1N=NC(=O)N1C ZINC001235607675 806471383 /nfs/dbraw/zinc/47/13/83/806471383.db2.gz NYOHKYFNFSSZHD-UHFFFAOYSA-N 0 0 291.311 0.568 20 10 CCCDRN COc1ccc(C[N@H+](C)C[C@H](O)CO)c([O-])c1Cl ZINC001236802217 806610454 /nfs/dbraw/zinc/61/04/54/806610454.db2.gz PFRSSNSQWDTIOO-VIFPVBQESA-N 0 0 275.732 0.839 20 10 CCCDRN O=S1(=O)CCN(c2ccc(CN3CC(O)C3)cc2)CC1 ZINC001237201979 806647109 /nfs/dbraw/zinc/64/71/09/806647109.db2.gz DQENUPBBIXGEQX-UHFFFAOYSA-N 0 0 296.392 0.098 20 10 CCCDRN 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O=C(CC1OCCCO1)NCc1cccc(O)c1O ZINC001123890001 799496390 /nfs/dbraw/zinc/49/63/90/799496390.db2.gz TWIKXWOTQOIQLP-UHFFFAOYSA-N 0 0 267.281 0.867 20 10 CCCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001140583000 799923589 /nfs/dbraw/zinc/92/35/89/799923589.db2.gz SNRXYFYKRVCKQW-PRHODGIISA-N 0 0 273.279 0.846 20 10 CCCDRN NC(=O)[C@H]1CCCCN1Cc1cc(O)ccc1O ZINC001141158452 799985505 /nfs/dbraw/zinc/98/55/05/799985505.db2.gz ADRHMNWTMUSQMF-LLVKDONJSA-N 0 0 250.298 0.938 20 10 CCCDRN CC1(C)C(=O)NCCN1Cc1cc(O)ccc1O ZINC001141158687 799985630 /nfs/dbraw/zinc/98/56/30/799985630.db2.gz KAOSNGHTRKRCRI-UHFFFAOYSA-N 0 0 250.298 0.808 20 10 CCCDRN Oc1ccc(O)c(CN2CCN(c3ncncn3)CC2)c1 ZINC001141161162 799986795 /nfs/dbraw/zinc/98/67/95/799986795.db2.gz BAJCDBHLFMIYJJ-UHFFFAOYSA-N 0 0 287.323 0.605 20 10 CCCDRN COC(=O)CN(CC(=O)OC)Cc1cc(O)ccc1O ZINC001141160265 799986878 /nfs/dbraw/zinc/98/68/78/799986878.db2.gz VBJXQVDSOGVMNF-UHFFFAOYSA-N 0 0 283.280 0.246 20 10 CCCDRN C[C@@H]1CN(CCO)CCN1C(=O)c1cccc(O)c1O ZINC000837192046 799992749 /nfs/dbraw/zinc/99/27/49/799992749.db2.gz QTCCSAFOPNAEAO-SNVBAGLBSA-N 0 0 280.324 0.236 20 10 CCCDRN O=C(C=Cc1c[nH]cn1)NCC(=O)c1ccc(O)c(O)c1 ZINC001142276537 800108026 /nfs/dbraw/zinc/10/80/26/800108026.db2.gz WIDMBXBDLKZWKQ-DUXPYHPUSA-N 0 0 287.275 0.833 20 10 CCCDRN Cc1cn(CC(=O)NCc2ccccc2O)c(=O)[nH]c1=O ZINC001142318582 800114967 /nfs/dbraw/zinc/11/49/67/800114967.db2.gz GXCDIBJHBIHTOH-UHFFFAOYSA-N 0 0 289.291 0.279 20 10 CCCDRN O=C(NC1CN(c2ccncn2)C1)c1cccc(O)c1O ZINC001152385337 800515890 /nfs/dbraw/zinc/51/58/90/800515890.db2.gz PPFJAECUHUFDMU-UHFFFAOYSA-N 0 0 286.291 0.506 20 10 CCCDRN Cc1nonc1CC(=O)NCc1cc(O)ccc1O ZINC001153885927 800685772 /nfs/dbraw/zinc/68/57/72/800685772.db2.gz SQEPWZJJCDDDKZ-UHFFFAOYSA-N 0 0 263.253 0.648 20 10 CCCDRN COc1nn(C)cc1C(=O)NCc1cc(O)ccc1O ZINC001153885905 800686078 /nfs/dbraw/zinc/68/60/78/800686078.db2.gz RURMETNWPVMHPU-UHFFFAOYSA-N 0 0 277.280 0.770 20 10 CCCDRN O=C(NCc1nnc2c(=O)[nH]ccn12)C1=CC(=O)CS1 ZINC001155699697 801039744 /nfs/dbraw/zinc/03/97/44/801039744.db2.gz AHJZFZXSOLZQEB-UHFFFAOYSA-N 0 0 291.292 0.115 20 10 CCCDRN Cc1nnc([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)[nH]1 ZINC001157045433 801291222 /nfs/dbraw/zinc/29/12/22/801291222.db2.gz RXJCGAJIKGGTIG-ZETCQYMHSA-N 0 0 276.296 0.944 20 10 CCCDRN COC(=O)[C@@H]1C[C@H](F)CN1C(=O)Cc1ccc(N)cc1 ZINC001158013591 801553766 /nfs/dbraw/zinc/55/37/66/801553766.db2.gz FCAHGQAXYFGEHX-JQWIXIFHSA-N 0 0 280.299 0.923 20 10 CCCDRN COC(=O)c1nc(-c2ccn(C)c(=O)c2)cnc1OC ZINC001240998113 806961020 /nfs/dbraw/zinc/96/10/20/806961020.db2.gz LZFWZHNGDKOQHZ-UHFFFAOYSA-N 0 0 275.264 0.638 20 10 CCCDRN O=S(=O)(NCc1ccc(O)c(O)c1)C(F)F ZINC001259961610 808825591 /nfs/dbraw/zinc/82/55/91/808825591.db2.gz NFVZLCJAGVTJPY-UHFFFAOYSA-N 0 0 253.226 0.740 20 10 CCCDRN COC(=O)C12CC(C1)CN2C(=O)Cc1ccc(O)c(O)c1 ZINC001165550295 802852878 /nfs/dbraw/zinc/85/28/78/802852878.db2.gz XFDGEBZQTOTWDB-UHFFFAOYSA-N 0 0 291.303 0.804 20 10 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ZINC001334441343 919586798 /nfs/dbraw/zinc/58/67/98/919586798.db2.gz RHCXUJJZEYUGNI-NSHDSACASA-N 0 0 293.367 0.520 20 10 CCCDRN CN(C)c1ccc(CN2C(=O)N[C@H](CO)C2=O)cc1 ZINC001335229887 920042572 /nfs/dbraw/zinc/04/25/72/920042572.db2.gz YFGORXBDAOMGFZ-LLVKDONJSA-N 0 0 263.297 0.165 20 10 CCCDRN COC(=O)C1CN(C(=O)c2cccc(O)c2O)C1 ZINC001336255803 920690235 /nfs/dbraw/zinc/69/02/35/920690235.db2.gz OXUNPUJNBQOXRE-UHFFFAOYSA-N 0 0 251.238 0.343 20 10 CCCDRN COC(=O)[C@H]1CN(C(=O)NCc2ccc(N)cc2)CCO1 ZINC001336290103 920702376 /nfs/dbraw/zinc/70/23/76/920702376.db2.gz HHUYAAQPASHTSE-GFCCVEGCSA-N 0 0 293.323 0.352 20 10 CCCDRN COC(=O)[C@@H]1CC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC001342893185 923125591 /nfs/dbraw/zinc/12/55/91/923125591.db2.gz KUZXFQLKWVUPSQ-NEPJUHHUSA-N 0 0 262.309 0.879 20 10 CCCDRN O=C(c1cnn(CCO)c1)N1Cc2cccc(O)c2C1 ZINC001347386438 924437524 /nfs/dbraw/zinc/43/75/24/924437524.db2.gz TWQATVISARSOOA-UHFFFAOYSA-N 0 0 273.292 0.737 20 10 CCCDRN COC(=O)[C@H]1C[C@@H](C(=O)NCc2cccc(O)c2O)C1 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