smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(c2ccc(CNC(=O)N[C@@H]3CNOC3)cc2)CC1 ZINC001120552981 767074324 /nfs/dbraw/zinc/07/43/24/767074324.db2.gz TYGIFRVJAJRFFA-CQSZACIVSA-N 0 1 319.409 0.141 20 10 DCCDMN COc1c([O-])c(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC001182990400 771586279 /nfs/dbraw/zinc/58/62/79/771586279.db2.gz PWWDCBPLVAVTLX-IINYFYTJSA-N 0 1 312.322 0.627 20 10 DCCDMN COc1c([O-])c(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC001182990400 771586285 /nfs/dbraw/zinc/58/62/85/771586285.db2.gz PWWDCBPLVAVTLX-IINYFYTJSA-N 0 1 312.322 0.627 20 10 DCCDMN CN1CCN(C)[C@@H](C(=O)N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001185257314 771890319 /nfs/dbraw/zinc/89/03/19/771890319.db2.gz JMZKJJOJIBCPDL-CQSZACIVSA-N 0 1 319.405 0.618 20 10 DCCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@@H](CO)[C@H](O)C1 ZINC001193605761 773096347 /nfs/dbraw/zinc/09/63/47/773096347.db2.gz KGTZLFIMDFWCFQ-WRWORJQWSA-N 0 1 301.726 0.567 20 10 DCCDMN C[C@@]1(CO)CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C[C@H]1O ZINC001193605497 773096733 /nfs/dbraw/zinc/09/67/33/773096733.db2.gz HDHQFEOICNAXLP-RISCZKNCSA-N 0 1 315.753 0.957 20 10 DCCDMN C[C@@H]1Cc2nnc(C(N)=O)n2CCN1Cc1cc(F)ccc1O ZINC001278255734 945195907 /nfs/dbraw/zinc/19/59/07/945195907.db2.gz XLXUNSJHTMSTLJ-SECBINFHSA-N 0 1 319.340 0.669 20 10 DCCDMN COc1cccc(CN2C[C@@H]3C(C(=O)N(C)C)=NO[C@@H]3C2)c1O ZINC001277451832 944824107 /nfs/dbraw/zinc/82/41/07/944824107.db2.gz JCOWJRHTKMCQCQ-WCQYABFASA-N 0 1 319.361 0.676 20 10 DCCDMN COc1ccc(-n2nnnc2CNCC[C@H](C)NC(C)=O)cc1 ZINC001320318644 945822105 /nfs/dbraw/zinc/82/21/05/945822105.db2.gz QOXHPOFDWLLGOH-NSHDSACASA-N 0 1 318.381 0.675 20 10 DCCDMN COCCOc1ccc(N2CCN(C[C@H](O)CO)CC2)cc1 ZINC001252062761 945865822 /nfs/dbraw/zinc/86/58/22/945865822.db2.gz OHVIWMZLDFXZDV-HNNXBMFYSA-N 0 1 310.394 0.187 20 10 DCCDMN O=C(NC[C@H]1CCC[N@H+]1CCCO)c1c(F)ccc(O)c1[O-] ZINC001330626716 950555485 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C[NH+]1CCN(c2ccc(CN3CC(O)(C(=O)[O-])C3)cc2F)CC1 ZINC001598622588 994028902 /nfs/dbraw/zinc/02/89/02/994028902.db2.gz RUXSYMYVDKDLID-UHFFFAOYSA-N 0 1 323.368 0.209 20 10 DCCDMN CN(C)c1ccc(CNC(=O)CN2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000367777803 529781140 /nfs/dbraw/zinc/78/11/40/529781140.db2.gz JVILRYYZDQSSGT-ZSHCYNCHSA-N 0 1 303.406 0.539 20 10 DCCDMN CNS(=O)(=O)[C@@H]1CCN(Cc2cccc(OC)c2O)C1 ZINC000092068278 395728921 /nfs/dbraw/zinc/72/89/21/395728921.db2.gz ZOWFKLRQRBYXIY-LLVKDONJSA-N 0 1 300.380 0.524 20 10 DCCDMN NC(=O)CN1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294823709 396682458 /nfs/dbraw/zinc/68/24/58/396682458.db2.gz GJEWWJKHJZCULV-UHFFFAOYSA-N 0 1 301.749 0.788 20 10 DCCDMN Oc1ccccc1C[NH2+]Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000738400464 598275655 /nfs/dbraw/zinc/27/56/55/598275655.db2.gz ISQYGEKCPPMNEV-UHFFFAOYSA-N 0 1 322.332 0.905 20 10 DCCDMN C[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@H](O)CN1CCOCC1 ZINC000894043726 661429188 /nfs/dbraw/zinc/42/91/88/661429188.db2.gz RRCVVJGYBIOGKA-ZDUSSCGKSA-N 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/nfs/dbraw/zinc/63/98/20/668639820.db2.gz HMPQAMGAAPJJBW-SNAWJCMRSA-N 0 1 305.378 0.645 20 10 DCCDMN CCOc1ccc(CN2CC[C@H](S(=O)(=O)NC)C2)c(O)c1 ZINC000770390260 668690494 /nfs/dbraw/zinc/69/04/94/668690494.db2.gz XLLLLPHXRRQECS-ZDUSSCGKSA-N 0 1 314.407 0.914 20 10 DCCDMN COC(=O)[C@@H]1C[C@H](O)CN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843433846 672094578 /nfs/dbraw/zinc/09/45/78/672094578.db2.gz FGGUVROAOTXPLD-MNOVXSKESA-N 0 1 309.318 0.477 20 10 DCCDMN COc1cc(C(=O)N[C@H]2CCCN(CCO)C2)cc(OC)n1 ZINC001007795327 690751076 /nfs/dbraw/zinc/75/10/76/690751076.db2.gz ZAGBXZZGQQJOQP-LBPRGKRZSA-N 0 1 309.366 0.285 20 10 DCCDMN C[C@H](C(=O)NCc1ccccc1O)n1cnc(-c2nn[nH]n2)n1 ZINC001588998871 1166625486 /nfs/dbraw/zinc/62/54/86/1166625486.db2.gz GMPOZADDTPVZJG-MRVPVSSYSA-N 0 1 314.309 0.041 20 10 DCCDMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1O ZINC001605439288 1169921738 /nfs/dbraw/zinc/92/17/38/1169921738.db2.gz UWWZYLCSYBUTDX-QMMMGPOBSA-N 0 1 314.309 0.041 20 10 DCCDMN O=C([O-])C[C@H]1COCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC001610764734 1171316523 /nfs/dbraw/zinc/31/65/23/1171316523.db2.gz FOCFRYBISSJTKY-GXFFZTMASA-N 0 1 309.318 0.494 20 10 DCCDMN O=C([O-])C[C@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC001610764734 1171316529 /nfs/dbraw/zinc/31/65/29/1171316529.db2.gz FOCFRYBISSJTKY-GXFFZTMASA-N 0 1 309.318 0.494 20 10 DCCDMN O=c1[nH]ccn2c(CNCc3cc(F)cc(F)c3O)nnc12 ZINC001658014345 1173918818 /nfs/dbraw/zinc/91/88/18/1173918818.db2.gz NZGJIXVLBFMEEE-UHFFFAOYSA-N 0 1 307.260 0.691 20 10 DCCDMN CC(C)(O)CN1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001120592522 750710590 /nfs/dbraw/zinc/71/05/90/750710590.db2.gz ZXAYYKODTXETPX-UHFFFAOYSA-N 0 1 306.410 0.867 20 10 DCCDMN COc1ccc(N2CCN(CCCNC(=O)CON)CC2)cc1 ZINC001122009089 767694830 /nfs/dbraw/zinc/69/48/30/767694830.db2.gz BKUFJRZALCEFED-UHFFFAOYSA-N 0 1 322.409 0.214 20 10 DCCDMN O=C(C=Cc1ccc(O)c(O)c1)N1CCOC[C@@H]1c1nn[nH]n1 ZINC001150802591 769189791 /nfs/dbraw/zinc/18/97/91/769189791.db2.gz 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CC[NH+](CC)CCC[C@H](C)NC=C1C(=O)[N-]C(=S)NC1=O ZINC000060862307 184157331 /nfs/dbraw/zinc/15/73/31/184157331.db2.gz VEOFIMPYFSVWAG-JTQLQIEISA-N 0 1 312.439 0.501 20 10 DCCDMN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2COCCN2)c1 ZINC000529380654 340753601 /nfs/dbraw/zinc/75/36/01/340753601.db2.gz PJURUECSPJQNGW-QWRGUYRKSA-N 0 1 309.366 0.749 20 10 DCCDMN CCNS(=O)(=O)[C@@H]1CCN(Cc2cccc(OC)c2O)C1 ZINC000181566446 520043405 /nfs/dbraw/zinc/04/34/05/520043405.db2.gz RMOOFYWARYYZOE-GFCCVEGCSA-N 0 1 314.407 0.914 20 10 DCCDMN O=C([O-])CNC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000781134740 601602533 /nfs/dbraw/zinc/60/25/33/601602533.db2.gz RZRUKPBIPVIQJL-CYBMUJFWSA-N 0 1 322.361 0.574 20 10 DCCDMN O=C([O-])CNC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000781134740 601602534 /nfs/dbraw/zinc/60/25/34/601602534.db2.gz RZRUKPBIPVIQJL-CYBMUJFWSA-N 0 1 322.361 0.574 20 10 DCCDMN COc1ccc(O)c(C[N@@H+](CCN2CCOCC2)CC(=O)[O-])c1 ZINC000833733860 605241902 /nfs/dbraw/zinc/24/19/02/605241902.db2.gz 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/nfs/dbraw/zinc/52/50/03/671525003.db2.gz XPDHSINJNSFOFI-UHFFFAOYSA-N 0 1 309.322 0.973 20 10 DCCDMN C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)N1 ZINC000842035380 671977364 /nfs/dbraw/zinc/97/73/64/671977364.db2.gz GIKAAQMOIZTNPF-STQMWFEESA-N 0 1 318.421 0.578 20 10 DCCDMN C[C@@H](NC(=O)C(=O)N1CCNC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000842202738 671994098 /nfs/dbraw/zinc/99/40/98/671994098.db2.gz KYRKLKFFCMPICY-CHWSQXEVSA-N 0 1 318.421 0.750 20 10 DCCDMN O=S(=O)(Nc1ccc(O)cc1)c1cncc(-c2nn[nH]n2)c1 ZINC001593445329 1167846458 /nfs/dbraw/zinc/84/64/58/1167846458.db2.gz TVONOHDVZFBNFB-UHFFFAOYSA-N 0 1 318.318 0.768 20 10 DCCDMN O=C([O-])[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001602192678 1169022235 /nfs/dbraw/zinc/02/22/35/1169022235.db2.gz DNTJSSOKVZFDIC-CABCVRRESA-N 0 1 306.362 0.543 20 10 DCCDMN O=C([O-])C[C@H]1COCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC001610764733 1171316115 /nfs/dbraw/zinc/31/61/15/1171316115.db2.gz FOCFRYBISSJTKY-GWCFXTLKSA-N 0 1 309.318 0.494 20 10 DCCDMN O=C([O-])C[C@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC001610764733 1171316124 /nfs/dbraw/zinc/31/61/24/1171316124.db2.gz FOCFRYBISSJTKY-GWCFXTLKSA-N 0 1 309.318 0.494 20 10 DCCDMN CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1cc(Cl)ccc1O ZINC000697286142 765474547 /nfs/dbraw/zinc/47/45/47/765474547.db2.gz IHNMYTJWLQOMRC-CMPLNLGQSA-N 0 1 305.783 0.947 20 10 DCCDMN COCc1n[nH]c(CNCc2cc(OC)c(OC)cc2O)n1 ZINC001118590343 766367244 /nfs/dbraw/zinc/36/72/44/766367244.db2.gz GRRGVAZPKVFVAK-UHFFFAOYSA-N 0 1 308.338 0.964 20 10 DCCDMN CNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233011884 769342295 /nfs/dbraw/zinc/34/22/95/769342295.db2.gz KKBUMBCOJPJOJC-CZUORRHYSA-N 0 1 322.361 0.530 20 10 DCCDMN COCCNC(=O)C1(NCc2cc(OC)c(OC)cc2O)CC1 ZINC001182237847 771443001 /nfs/dbraw/zinc/44/30/01/771443001.db2.gz GQYLSBUVBJBDSU-UHFFFAOYSA-N 0 1 324.377 0.794 20 10 DCCDMN COc1c([O-])c(C[NH2+]CC(=O)N2CCCO2)ccc1[N+](=O)[O-] ZINC001184279257 771772515 /nfs/dbraw/zinc/77/25/15/771772515.db2.gz ZCZORHZGVUGTHB-UHFFFAOYSA-N 0 1 311.294 0.563 20 10 DCCDMN COc1ccc(CN2CCN(c3ncncn3)CC2)c(O)c1 ZINC001203634826 772917202 /nfs/dbraw/zinc/91/72/02/772917202.db2.gz XAYSYIWZERQPJX-UHFFFAOYSA-N 0 1 301.350 0.908 20 10 DCCDMN CN1CC2(C1)CCCN(C(=O)[C@@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001272971152 945162158 /nfs/dbraw/zinc/16/21/58/945162158.db2.gz GKLLUHKTXFKSTE-HNNXBMFYSA-N 0 1 320.389 0.555 20 10 DCCDMN O=C(NCC1COC1)[C@@]12C[C@@H]1CCN2Cc1ccc(O)cc1O ZINC001277191978 944698171 /nfs/dbraw/zinc/69/81/71/944698171.db2.gz IERKIFIJDGPXJJ-SUMWQHHRSA-N 0 1 318.373 0.825 20 10 DCCDMN COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@H]1CCCN(C)C1 ZINC001255466709 946512567 /nfs/dbraw/zinc/51/25/67/946512567.db2.gz ZZEAKBGWTZDRTB-STQMWFEESA-N 0 1 308.378 0.866 20 10 DCCDMN CCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@H]1CCN(C)C1 ZINC001332052776 951453508 /nfs/dbraw/zinc/45/35/08/951453508.db2.gz DXTWCDOPCMRLOX-ZDUSSCGKSA-N 0 1 317.389 0.787 20 10 DCCDMN C[N@@H+]1CCO[C@@H](C(=O)N(CC(=O)[O-])Cc2ccccc2O)C1 ZINC001335028656 952442065 /nfs/dbraw/zinc/44/20/65/952442065.db2.gz HEZRHJLJOWRMAK-CYBMUJFWSA-N 0 1 308.334 0.136 20 10 DCCDMN C[N@H+]1CCO[C@@H](C(=O)N(CC(=O)[O-])Cc2ccccc2O)C1 ZINC001335028656 952442070 /nfs/dbraw/zinc/44/20/70/952442070.db2.gz HEZRHJLJOWRMAK-CYBMUJFWSA-N 0 1 308.334 0.136 20 10 DCCDMN COc1ccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)[O-])C2)c(O)c1 ZINC001354080709 956277492 /nfs/dbraw/zinc/27/74/92/956277492.db2.gz JOQHMMKJUWGYLC-LBPRGKRZSA-N 0 1 322.361 0.814 20 10 DCCDMN CNC(=O)N[C@H]1CCN(Cc2ccc(OC)c(OC)c2O)C1 ZINC001474423762 1017017325 /nfs/dbraw/zinc/01/73/25/1017017325.db2.gz BITKSJSPDGQZBY-NSHDSACASA-N 0 1 309.366 0.913 20 10 DCCDMN CN(C)S(=O)(=O)N1CC([NH2+]Cc2ccc(Cl)cc2[O-])C1 ZINC001560956090 1012459580 /nfs/dbraw/zinc/45/95/80/1012459580.db2.gz MJQIXNCPKMKEQX-UHFFFAOYSA-N 0 1 319.814 0.626 20 10 DCCDMN CN(C)c1ccc(CN2CCN3CCOC[C@@]3(CO)C2)cc1 ZINC001460845330 1012975697 /nfs/dbraw/zinc/97/56/97/1012975697.db2.gz AZKTWZVTRUYNLF-KRWDZBQOSA-N 0 1 305.422 0.632 20 10 DCCDMN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H](N)CO)cc1 ZINC001521554985 1017396574 /nfs/dbraw/zinc/39/65/74/1017396574.db2.gz MJZWKDXMAQUHMS-JKSUJKDBSA-N 0 1 321.421 0.580 20 10 DCCDMN CSCC[C@H](NC(=O)c1cccc(O)c1O)c1nn[nH]n1 ZINC001641896722 1171931904 /nfs/dbraw/zinc/93/19/04/1171931904.db2.gz OVJSOCWVWDXHGO-QMMMGPOBSA-N 0 1 309.351 0.835 20 10 DCCDMN C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N1CCN(C)CC1 ZINC000272465511 130033015 /nfs/dbraw/zinc/03/30/15/130033015.db2.gz OZPGCWBCGFWGPM-BPJJOFIESA-N 0 1 319.405 0.863 20 10 DCCDMN COc1c([O-])c(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000282190102 277790934 /nfs/dbraw/zinc/79/09/34/277790934.db2.gz GFAXOIDKKYJVPX-GZMMTYOYSA-N 0 1 309.322 0.923 20 10 DCCDMN CN(C)c1ccc(CNC(=O)NC[C@@H]2CN(C)CCN2C)cc1 ZINC000264742887 522196604 /nfs/dbraw/zinc/19/66/04/522196604.db2.gz PHPCSDKJXLOQTH-MRXNPFEDSA-N 0 1 319.453 0.798 20 10 DCCDMN COc1ccc(CN2CCN3CCOC[C@@H]3C2)c(O)c1OC ZINC000893561679 660793048 /nfs/dbraw/zinc/79/30/48/660793048.db2.gz KYLOZHWATMNUBT-ZDUSSCGKSA-N 0 1 308.378 0.926 20 10 DCCDMN CN(C)c1ccc(/C=C/CNC[C@@H](O)CS(C)(=O)=O)cc1 ZINC000922822916 666535475 /nfs/dbraw/zinc/53/54/75/666535475.db2.gz KEBSBSLSXKQSDC-MBVDDHJVSA-N 0 1 312.435 0.761 20 10 DCCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](O)c1cnc[nH]1 ZINC000866206687 667368204 /nfs/dbraw/zinc/36/82/04/667368204.db2.gz MIHSAPQOTJXUEM-AWEZNQCLSA-N 0 1 302.334 0.935 20 10 DCCDMN COc1ccc(N2CCN(C(=O)Cc3ncn[nH]3)CC2)cc1F ZINC000866459787 667376599 /nfs/dbraw/zinc/37/65/99/667376599.db2.gz PAISHBYDEUIPAU-UHFFFAOYSA-N 0 1 319.340 0.844 20 10 DCCDMN CN1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@H]3O)cc2)CC1 ZINC000889660686 667981661 /nfs/dbraw/zinc/98/16/61/667981661.db2.gz FSNJXWHCZHVOSQ-HZPDHXFCSA-N 0 1 318.421 0.761 20 10 DCCDMN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](C)[C@@H](O)C1)cc2=O ZINC000768766981 668620246 /nfs/dbraw/zinc/62/02/46/668620246.db2.gz LKUYIRAELSVCQI-SKDRFNHKSA-N 0 1 320.349 0.424 20 10 DCCDMN Cc1cccc(O)c1CN1CCN(C(=O)Cn2cnnn2)CC1 ZINC000877522263 668626068 /nfs/dbraw/zinc/62/60/68/668626068.db2.gz MZJOVVRTSXPKNE-UHFFFAOYSA-N 0 1 316.365 0.032 20 10 DCCDMN O=C(C=Cc1ccc(O)c(O)c1)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000779515460 668911909 /nfs/dbraw/zinc/91/19/09/668911909.db2.gz SKAQLUDSDSONKS-FXMSTWTQSA-N 0 1 317.305 0.224 20 10 DCCDMN CCN(CCC(N)=O)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000932480880 669372177 /nfs/dbraw/zinc/37/21/77/669372177.db2.gz NBHPTZQTKBHZDM-UHFFFAOYSA-N 0 1 306.410 0.566 20 10 DCCDMN CN1CCN(c2ccc(CNC(=O)[C@H]3COCCO3)cc2)CC1 ZINC000881849465 669398424 /nfs/dbraw/zinc/39/84/24/669398424.db2.gz DKZOUYOAHOIOJQ-MRXNPFEDSA-N 0 1 319.405 0.470 20 10 DCCDMN C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1 ZINC000817919802 670952654 /nfs/dbraw/zinc/95/26/54/670952654.db2.gz YNYMEDSYBSIGFD-ZDUSSCGKSA-N 0 1 318.421 0.531 20 10 DCCDMN CN1C[C@@]2(CC[N@@H+](Cc3ccc(C(=O)[O-])cc3O)C2)OCC1=O ZINC001273706768 1158901424 /nfs/dbraw/zinc/90/14/24/1158901424.db2.gz KTKFEFMOOLRUMO-MRXNPFEDSA-N 0 1 320.345 0.524 20 10 DCCDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)Cc1ccc(N)cc1 ZINC001604791454 1169684452 /nfs/dbraw/zinc/68/44/52/1169684452.db2.gz XDCUWNCZFNUZFZ-LBPRGKRZSA-N 0 1 305.378 0.819 20 10 DCCDMN O=C([O-])CNC(=O)[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC001610783172 1171322703 /nfs/dbraw/zinc/32/27/03/1171322703.db2.gz NWTGEGVXZKCYCI-SNVBAGLBSA-N 0 1 322.317 0.286 20 10 DCCDMN O=C([O-])CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC001610783172 1171322708 /nfs/dbraw/zinc/32/27/08/1171322708.db2.gz NWTGEGVXZKCYCI-SNVBAGLBSA-N 0 1 322.317 0.286 20 10 DCCDMN CN1CCN(C)[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001617203178 1171386487 /nfs/dbraw/zinc/38/64/87/1171386487.db2.gz YDZORGIAMOGHII-ZDUSSCGKSA-N 0 1 318.381 0.825 20 10 DCCDMN COc1ccc(CNCc2ccc(S(N)(=O)=O)o2)c(O)c1 ZINC001621283279 1171408993 /nfs/dbraw/zinc/40/89/93/1171408993.db2.gz OSQBARPLSISGGT-UHFFFAOYSA-N 0 1 312.347 0.931 20 10 DCCDMN COc1ncc(NC(=O)c2c(F)ccc(O)c2O)cc1C(N)=O ZINC001638472900 1171798152 /nfs/dbraw/zinc/79/81/52/1171798152.db2.gz PMKFLOWWUIPSHG-UHFFFAOYSA-N 0 1 321.264 0.992 20 10 DCCDMN CCOC(=O)c1cn[nH]c1CNC(=O)c1cccc(O)c1O ZINC001148225940 767941707 /nfs/dbraw/zinc/94/17/07/767941707.db2.gz YJHVAVMDZJEFMY-UHFFFAOYSA-N 0 1 305.290 0.928 20 10 DCCDMN CCOC(=O)c1cc(NC(=O)c2cc(O)c(O)c(O)c2)n[nH]1 ZINC001148581611 768020446 /nfs/dbraw/zinc/02/04/46/768020446.db2.gz QPNZYUXTKUQAFL-UHFFFAOYSA-N 0 1 307.262 0.956 20 10 DCCDMN CCNS(=O)(=O)CCNCc1ccc(N(C)C)c(F)c1 ZINC001177664173 770520201 /nfs/dbraw/zinc/52/02/01/770520201.db2.gz MCAPAEHLRXMANX-UHFFFAOYSA-N 0 1 303.403 0.921 20 10 DCCDMN COc1cc(C[N@H+]2CCN(CC(N)=O)C(C)(C)C2)c(O)cc1O ZINC001231637136 769271232 /nfs/dbraw/zinc/27/12/32/769271232.db2.gz FWLRXVOGGYUSSK-UHFFFAOYSA-N 0 1 323.393 0.488 20 10 DCCDMN COc1cc(CN2CCN(CC(N)=O)C(C)(C)C2)c(O)cc1O ZINC001231637136 769271241 /nfs/dbraw/zinc/27/12/41/769271241.db2.gz FWLRXVOGGYUSSK-UHFFFAOYSA-N 0 1 323.393 0.488 20 10 DCCDMN CN(C)c1ccc(CN2CCN(c3ncncn3)CC2)c(O)c1 ZINC001232841610 769337347 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