smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])NNC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000832748647 603632086 /nfs/dbraw/zinc/63/20/86/603632086.db2.gz OYOMEXSLIJIYFN-UHFFFAOYSA-N -1 1 293.327 -0.108 20 50 CBGDMM O=C([O-])NCC(=O)NNC(=O)Cc1[nH]nc2ccccc21 ZINC000834201021 605445479 /nfs/dbraw/zinc/44/54/79/605445479.db2.gz DLPYCWXFWUHRTF-UHFFFAOYSA-N -1 1 291.267 -0.480 20 50 CBGDMM Cc1nscc1C(=O)NNC(=O)CNC(=O)[O-] ZINC000833934649 605872822 /nfs/dbraw/zinc/87/28/22/605872822.db2.gz DCHVEPMWRZLGEI-UHFFFAOYSA-N -1 1 258.259 -0.520 20 50 CBGDMM CC(=NNC(=O)C(N)=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823948565 608091683 /nfs/dbraw/zinc/09/16/83/608091683.db2.gz SHVLEWZDCSDJDH-UHFFFAOYSA-N -1 1 279.285 -0.746 20 50 CBGDMM C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H]1C(=O)[O-] ZINC000828441909 601505286 /nfs/dbraw/zinc/50/52/86/601505286.db2.gz VKPURPBKPBAOSM-APPZFPTMSA-N -1 1 269.301 -0.804 20 50 CBGDMM CCC(=O)NNC(=O)[C@H](C)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000828570436 601913987 /nfs/dbraw/zinc/91/39/87/601913987.db2.gz DUOTZFACRXGRRE-QPUJVOFHSA-N -1 1 271.317 -0.271 20 50 CBGDMM O=C([O-])NCC(=O)NNC(=O)c1cccc2nc[nH]c21 ZINC000834203401 605446430 /nfs/dbraw/zinc/44/64/30/605446430.db2.gz SRBNSFMXVFGCJP-UHFFFAOYSA-N -1 1 277.240 -0.409 20 50 CBGDMM Cc1cc(O)cc2c1C(=O)C(=NNC(=O)NCC(=O)[O-])O2 ZINC000833746526 605589086 /nfs/dbraw/zinc/58/90/86/605589086.db2.gz BTJCFSDSYWWCIL-UHFFFAOYSA-N -1 1 293.235 -0.027 20 50 CBGDMM O=C([O-])N1CCO[C@H](C(=O)NN=c2ncc(F)c[nH]2)C1 ZINC000834048028 605612562 /nfs/dbraw/zinc/61/25/62/605612562.db2.gz IVQJLJUBLPRJPA-ZETCQYMHSA-N -1 1 285.235 -0.562 20 50 CBGDMM O=C([O-])NCCOCC(=O)NNc1ncc(F)cn1 ZINC000834243193 605613777 /nfs/dbraw/zinc/61/37/77/605613777.db2.gz UTGBWFIPCUCCQM-UHFFFAOYSA-N -1 1 273.224 -0.657 20 50 CBGDMM O=C([O-])NCCOCC(=O)NN=c1ncc(F)c[nH]1 ZINC000834243193 605613783 /nfs/dbraw/zinc/61/37/83/605613783.db2.gz UTGBWFIPCUCCQM-UHFFFAOYSA-N -1 1 273.224 -0.657 20 50 CBGDMM C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H]1C(=O)[O-] ZINC000828441931 601531085 /nfs/dbraw/zinc/53/10/85/601531085.db2.gz VMNVJKVIAOMZMX-RKDXNWHRSA-N -1 1 285.344 -0.168 20 50 CBGDMM C[C@@]1(C(=O)[O-])CCN(CC(=O)NNC(=O)C2CC2)C1 ZINC000828024299 601944416 /nfs/dbraw/zinc/94/44/16/601944416.db2.gz MRNXPALKMCRJJF-GFCCVEGCSA-N -1 1 269.301 -0.660 20 50 CBGDMM C[NH+](C)CC(=O)N[N-]C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000828008564 603559419 /nfs/dbraw/zinc/55/94/19/603559419.db2.gz IATJWTBXYFPXNL-UHFFFAOYSA-N -1 1 284.272 -0.630 20 50 CBGDMM CN(CC(=O)NNC(=O)C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000828107670 603990810 /nfs/dbraw/zinc/99/08/10/603990810.db2.gz AFCKCJLBDUBJQZ-UHFFFAOYSA-N -1 1 298.343 -0.382 20 50 CBGDMM O=C([O-])NCCC(=O)NN=C1CCN2CCC[C@H]12 ZINC000834228083 605748531 /nfs/dbraw/zinc/74/85/31/605748531.db2.gz ZHVYYQQUCDMSNI-SECBINFHSA-N -1 1 254.290 -0.016 20 50 CBGDMM C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H]1C(=O)[O-] ZINC000828441927 601531036 /nfs/dbraw/zinc/53/10/36/601531036.db2.gz VMNVJKVIAOMZMX-DTWKUNHWSA-N -1 1 285.344 -0.168 20 50 CBGDMM C[C@H](CN(CC(=O)NNC(=O)C1CC1)C1CC1)C(=O)[O-] ZINC000827450193 604739432 /nfs/dbraw/zinc/73/94/32/604739432.db2.gz TWBPPOJTZXZDDZ-MRVPVSSYSA-N -1 1 283.328 -0.271 20 50 CBGDMM Cc1cc(NNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)nc(C)n1 ZINC000830122296 605351079 /nfs/dbraw/zinc/35/10/79/605351079.db2.gz LKILJRMJGBSUBP-VIFPVBQESA-N -1 1 295.299 -0.085 20 50 CBGDMM O=C([O-])NCC(=O)NNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000834200543 605444327 /nfs/dbraw/zinc/44/43/27/605444327.db2.gz MIHMBCVUGXKFST-LURJTMIESA-N -1 1 281.272 -0.755 20 50 CBGDMM C[C@@H](CN(C)CC(=O)NNC(=O)C(C)(C)C)C(=O)[O-] ZINC000827442477 601010477 /nfs/dbraw/zinc/01/04/77/601010477.db2.gz MMABZZPFKNQLSC-QMMMGPOBSA-N -1 1 273.333 -0.168 20 50 CBGDMM C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H]1C(=O)[O-] ZINC000828441911 601505394 /nfs/dbraw/zinc/50/53/94/601505394.db2.gz VKPURPBKPBAOSM-CBAPKCEASA-N -1 1 269.301 -0.804 20 50 CBGDMM CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828570357 601515801 /nfs/dbraw/zinc/51/58/01/601515801.db2.gz AURFSJAZSACQKY-VGMNWLOBSA-N -1 1 271.317 -0.415 20 50 CBGDMM N#Cc1ccc(C(=O)NNC(=O)CNC(=O)[O-])s1 ZINC000833974531 605456842 /nfs/dbraw/zinc/45/68/42/605456842.db2.gz VKMURMFHYRWDCF-UHFFFAOYSA-N -1 1 268.254 -0.352 20 50 CBGDMM CCOC(=O)NNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825521991 608812459 /nfs/dbraw/zinc/81/24/59/608812459.db2.gz AROQXYJMMGVHLS-UHFFFAOYSA-N -1 1 295.263 -0.617 20 50 CBGDMM CCOC(=O)NNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825521991 608812463 /nfs/dbraw/zinc/81/24/63/608812463.db2.gz AROQXYJMMGVHLS-UHFFFAOYSA-N -1 1 295.263 -0.617 20 50 CBGDMM CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000828570355 601516027 /nfs/dbraw/zinc/51/60/27/601516027.db2.gz AURFSJAZSACQKY-CIUDSAMLSA-N -1 1 271.317 -0.415 20 50 CBGDMM C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H]1C(=O)[O-] ZINC000828441913 601505232 /nfs/dbraw/zinc/50/52/32/601505232.db2.gz 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/nfs/dbraw/zinc/14/79/33/608147933.db2.gz SXPSJXOILYJFDA-UHFFFAOYSA-N -1 1 292.303 -0.743 20 50 CBGDMM CCN(CCC(=O)[O-])CC(=O)NNC(=O)C(C)(C)C ZINC000829701592 600993349 /nfs/dbraw/zinc/99/33/49/600993349.db2.gz IKLFOHRHEJPPRX-UHFFFAOYSA-N -1 1 273.333 -0.024 20 50 CBGDMM N#Cc1csc(C(=O)NNC(=O)NCCNC(=O)[O-])c1 ZINC000831161917 603800583 /nfs/dbraw/zinc/80/05/83/603800583.db2.gz QBYMHVNREYRENE-UHFFFAOYSA-N -1 1 297.296 -0.169 20 50 CBGDMM Cc1cc(NNC(=O)[C@H]2CN(C(=O)[O-])CCO2)nc(C)n1 ZINC000830122294 605350966 /nfs/dbraw/zinc/35/09/66/605350966.db2.gz LKILJRMJGBSUBP-SECBINFHSA-N -1 1 295.299 -0.085 20 50 CBGDMM O=C([O-])NCC(=O)NNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000834200697 605465863 /nfs/dbraw/zinc/46/58/63/605465863.db2.gz ORZBADDELSFYRK-JTQLQIEISA-N -1 1 298.343 -0.192 20 50 CBGDMM O=C([O-])NCC(=O)NNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000834203092 605808753 /nfs/dbraw/zinc/80/87/53/605808753.db2.gz HSSOXVPXUQDKCH-UHFFFAOYSA-N -1 1 298.211 -0.671 20 50 CBGDMM O=C(CO)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826414575 609161226 /nfs/dbraw/zinc/16/12/26/609161226.db2.gz BPDYZHGUDPEJKR-UHFFFAOYSA-N -1 1 252.259 -0.629 20 50 CBGDMM C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000828441925 601531068 /nfs/dbraw/zinc/53/10/68/601531068.db2.gz VMNVJKVIAOMZMX-BDAKNGLRSA-N -1 1 285.344 -0.168 20 50 CBGDMM Cc1cc(=NNC(=O)COC2CN(C(=O)[O-])C2)[nH]cn1 ZINC000830122601 603472966 /nfs/dbraw/zinc/47/29/66/603472966.db2.gz NTBQFZMJHRXHTL-UHFFFAOYSA-N -1 1 281.272 -0.393 20 50 CBGDMM O=C([O-])N1CCO[C@@H](C(=O)NN=c2ncc(F)c[nH]2)C1 ZINC000834048025 605612708 /nfs/dbraw/zinc/61/27/08/605612708.db2.gz IVQJLJUBLPRJPA-SSDOTTSWSA-N -1 1 285.235 -0.562 20 50 CBGDMM C[C@H](CN(C)CC(=O)NNC(=O)C(C)(C)C)C(=O)[O-] ZINC000827442476 601010839 /nfs/dbraw/zinc/01/08/39/601010839.db2.gz MMABZZPFKNQLSC-MRVPVSSYSA-N -1 1 273.333 -0.168 20 50 CBGDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1ccccc1 ZINC000826425467 607712653 /nfs/dbraw/zinc/71/26/53/607712653.db2.gz FOLGANZABZQYMS-UHFFFAOYSA-N -1 1 285.271 -0.399 20 50 CBGDMM O=C([O-])NCC(=O)NNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000834200545 605444104 /nfs/dbraw/zinc/44/41/04/605444104.db2.gz MIHMBCVUGXKFST-ZCFIWIBFSA-N -1 1 281.272 -0.755 20 50 CBGDMM O=C([O-])N1CC(OCC(=O)NNc2ncc(F)cn2)C1 ZINC000834012327 605612960 /nfs/dbraw/zinc/61/29/60/605612960.db2.gz ZLXJJTUZSRCWPZ-UHFFFAOYSA-N -1 1 285.235 -0.562 20 50 CBGDMM O=C([O-])N1CC(OCC(=O)NN=c2ncc(F)c[nH]2)C1 ZINC000834012327 605612962 /nfs/dbraw/zinc/61/29/62/605612962.db2.gz ZLXJJTUZSRCWPZ-UHFFFAOYSA-N -1 1 285.235 -0.562 20 50 CBGDMM CCC(=O)NNC(=O)[C@@H](C)N1CC[C@](C)(C(=O)[O-])C1 ZINC000828570434 601914100 /nfs/dbraw/zinc/91/41/00/601914100.db2.gz DUOTZFACRXGRRE-PELKAZGASA-N -1 1 271.317 -0.271 20 50 CBGDMM O=C([O-])NCC(=O)NNC(=O)c1[nH]nc2ccccc21 ZINC000834203221 605452479 /nfs/dbraw/zinc/45/24/79/605452479.db2.gz NPYDIHAEGDSIJY-UHFFFAOYSA-N -1 1 277.240 -0.409 20 50 CBGDMM CCNC(=O)N(C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825470682 609165750 /nfs/dbraw/zinc/16/57/50/609165750.db2.gz HWRYUTBKLZQFOZ-UHFFFAOYSA-N -1 1 290.287 -0.432 20 50 CBGDMM CCNC(=O)N(C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825470682 609165751 /nfs/dbraw/zinc/16/57/51/609165751.db2.gz HWRYUTBKLZQFOZ-UHFFFAOYSA-N -1 1 290.287 -0.432 20 50 CBGDMM Cc1ncsc1C(=O)NNC(=O)NC1CN(C(=O)[O-])C1 ZINC000830835362 604616020 /nfs/dbraw/zinc/61/60/20/604616020.db2.gz ZTLCXMFXUVAQIK-UHFFFAOYSA-N -1 1 299.312 -0.242 20 50 CBGDMM C[C@@H](CN(CC(=O)NNC(=O)C1CC1)C1CC1)C(=O)[O-] ZINC000827450194 604738824 /nfs/dbraw/zinc/73/88/24/604738824.db2.gz TWBPPOJTZXZDDZ-QMMMGPOBSA-N -1 1 283.328 -0.271 20 50 CBGDMM O=C([O-])NCC(=O)NNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000834202923 605457691 /nfs/dbraw/zinc/45/76/91/605457691.db2.gz BRIHZTHZFWDFBM-UHFFFAOYSA-N -1 1 295.230 -0.269 20 50 CBGDMM O=C([O-])NCC(=O)NNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000834200698 605465991 /nfs/dbraw/zinc/46/59/91/605465991.db2.gz ORZBADDELSFYRK-SNVBAGLBSA-N -1 1 298.343 -0.192 20 50 CBGDMM COC(=O)CNC(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000826138473 609523816 /nfs/dbraw/zinc/52/38/16/609523816.db2.gz WFUVJFUXYMMNRZ-UHFFFAOYSA-N -1 1 293.243 -0.734 20 50 CBGDMM COC(=O)CNC(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000826138473 609523817 /nfs/dbraw/zinc/52/38/17/609523817.db2.gz WFUVJFUXYMMNRZ-UHFFFAOYSA-N -1 1 293.243 -0.734 20 50 CBGDMM CC(C)(C)C(=O)NNC(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000826134944 601939630 /nfs/dbraw/zinc/93/96/30/601939630.db2.gz KTJQWSZOHJNMDR-ZDUSSCGKSA-N -1 1 285.344 -0.024 20 50 CBGDMM Cc1cc(NNC(=O)COC2CN(C(=O)[O-])C2)nc(C)n1 ZINC000830121595 603473233 /nfs/dbraw/zinc/47/32/33/603473233.db2.gz FSCHCAUJNQVYBG-UHFFFAOYSA-N -1 1 295.299 -0.085 20 50 CBGDMM Cc1[nH+]c(C(=O)[N-]NC(=O)CNC(=O)[O-])c2ccccn12 ZINC000833913254 605472759 /nfs/dbraw/zinc/47/27/59/605472759.db2.gz WUSSLDQYQMESMS-UHFFFAOYSA-N -1 1 291.267 -0.329 20 50 CBGDMM O=C([O-])NCCCC(=O)NNC(=O)c1cnc[nH]1 ZINC000834230276 605979403 /nfs/dbraw/zinc/97/94/03/605979403.db2.gz WRVVGFBXMKQXIU-UHFFFAOYSA-N -1 1 255.234 -0.782 20 50 CBGDMM CCC(=O)NNC(=O)[C@H](C)N1CC[C@](C)(C(=O)[O-])C1 ZINC000828570437 601913840 /nfs/dbraw/zinc/91/38/40/601913840.db2.gz DUOTZFACRXGRRE-UFBFGSQYSA-N -1 1 271.317 -0.271 20 50 CBGDMM CC(C)(C)C(=O)NNC(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000826134943 601939652 /nfs/dbraw/zinc/93/96/52/601939652.db2.gz KTJQWSZOHJNMDR-CYBMUJFWSA-N -1 1 285.344 -0.024 20 50 CBGDMM C[C@]1(C(=O)[O-])CCN(CC(=O)NNC(=O)C2CC2)C1 ZINC000828024300 601944141 /nfs/dbraw/zinc/94/41/41/601944141.db2.gz MRNXPALKMCRJJF-LBPRGKRZSA-N -1 1 269.301 -0.660 20 50 CBGDMM Cc1nscc1C(=O)NNC(=O)NCCNC(=O)[O-] ZINC000833937504 605871546 /nfs/dbraw/zinc/87/15/46/605871546.db2.gz XJYNRLQHDUDPPP-UHFFFAOYSA-N -1 1 287.301 -0.337 20 50 CBGDMM Cc1nc[nH]c1C=NNC(=O)NCCNC(=O)[O-] ZINC000833915198 606053393 /nfs/dbraw/zinc/05/33/93/606053393.db2.gz LARHSNTVEWZFJY-UHFFFAOYSA-N -1 1 254.250 -0.381 20 50 CBGDMM O=C([O-])NNC(=O)c1cc(N2CCOCC2)ccn1 ZINC000832748687 605189015 /nfs/dbraw/zinc/18/90/15/605189015.db2.gz QOODCAZDSJGZDA-UHFFFAOYSA-N -1 1 266.257 -0.169 20 50 CBGDMM O=C([O-])NCC(=O)NNC(=O)c1ccc(F)cc1O ZINC000834203047 605455592 /nfs/dbraw/zinc/45/55/92/605455592.db2.gz GASCCSCQBNUIHD-UHFFFAOYSA-N -1 1 271.204 -0.440 20 50 CBGDMM CC(=NNC(=O)CO)c1ccc(-c2nn[n-]n2)s1 ZINC000823948682 609160277 /nfs/dbraw/zinc/16/02/77/609160277.db2.gz UKGKFNYXKXANOX-UHFFFAOYSA-N -1 1 266.286 -0.239 20 50 CBGDMM CC(C)(C)C(=O)NNC(=O)CNC(C)(C)C(=O)[O-] ZINC000826134902 600991262 /nfs/dbraw/zinc/99/12/62/600991262.db2.gz HOYLKJHZNHTWSW-UHFFFAOYSA-N -1 1 259.306 -0.367 20 50 CBGDMM CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000828570358 601516161 /nfs/dbraw/zinc/51/61/61/601516161.db2.gz AURFSJAZSACQKY-XHNCKOQMSA-N -1 1 271.317 -0.415 20 50 CBGDMM CCOC(=O)c1cnc(=NNC(=O)CNC(=O)[O-])[nH]c1C ZINC000833860717 605440981 /nfs/dbraw/zinc/44/09/81/605440981.db2.gz DUPCCUHIVPWLKA-UHFFFAOYSA-N -1 1 297.271 -0.328 20 50 CBGDMM O=C([O-])NCCCC(=O)NNC(=O)c1ccn[nH]1 ZINC000834229617 605977007 /nfs/dbraw/zinc/97/70/07/605977007.db2.gz BBGHUZZQIGJRBP-UHFFFAOYSA-N -1 1 255.234 -0.782 20 50 CBGDMM O=C([O-])NCCNC(=O)NN=C1CCN2CCC[C@H]12 ZINC000834243784 606006805 /nfs/dbraw/zinc/00/68/05/606006805.db2.gz UPFIILNTLSXZRU-SECBINFHSA-N -1 1 269.305 -0.223 20 50 CBGDMM C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H]1C(=O)[O-] ZINC000828441914 601505582 /nfs/dbraw/zinc/50/55/82/601505582.db2.gz VKPURPBKPBAOSM-VXNVDRBHSA-N -1 1 269.301 -0.804 20 50 CBGDMM CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828570356 601516040 /nfs/dbraw/zinc/51/60/40/601516040.db2.gz AURFSJAZSACQKY-HRDYMLBCSA-N -1 1 271.317 -0.415 20 50 CBGDMM C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000828441929 601530882 /nfs/dbraw/zinc/53/08/82/601530882.db2.gz VMNVJKVIAOMZMX-IUCAKERBSA-N -1 1 285.344 -0.168 20 50 CBGDMM CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000828570435 601914197 /nfs/dbraw/zinc/91/41/97/601914197.db2.gz DUOTZFACRXGRRE-PRHODGIISA-N -1 1 271.317 -0.271 20 50 CBGDMM Cc1nc(C(=O)NNC(=O)CNC(=O)[O-])c(C)s1 ZINC000833912123 605461940 /nfs/dbraw/zinc/46/19/40/605461940.db2.gz CRLOCTWHIMYYPT-UHFFFAOYSA-N -1 1 272.286 -0.211 20 50 CBGDMM Cc1ncsc1C(=O)NNC(=O)C1CN(C(=O)[O-])C1 ZINC000833916586 605523350 /nfs/dbraw/zinc/52/33/50/605523350.db2.gz BLWSYQSETOOKSI-UHFFFAOYSA-N -1 1 284.297 -0.178 20 50 CBGDMM O=C([O-])NCCC(=O)NN=C1CCN2CCC[C@@H]12 ZINC000834228084 605748427 /nfs/dbraw/zinc/74/84/27/605748427.db2.gz ZHVYYQQUCDMSNI-VIFPVBQESA-N -1 1 254.290 -0.016 20 50 CBGDMM Cc1ncc(C(=O)NNC(=O)CCCNC(=O)[O-])[nH]1 ZINC000833912686 605974435 /nfs/dbraw/zinc/97/44/35/605974435.db2.gz NOGLDWKZQBNMQN-UHFFFAOYSA-N -1 1 269.261 -0.473 20 50 CBGDMM