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(NNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000738136342 945233432 /nfs/dbraw/zinc/23/34/32/945233432.db2.gz JZMATLRTJYQQNW-UHFFFAOYSA-N -1 1 309.289 0.337 20 50 DCGDMM COCCO[C@H](C)C(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821691674 945819807 /nfs/dbraw/zinc/81/98/07/945819807.db2.gz AFJSZSKBMAHAQL-MRVPVSSYSA-N -1 1 324.366 0.430 20 50 DCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)c1cnccn1 ZINC000823273398 946379852 /nfs/dbraw/zinc/37/98/52/946379852.db2.gz LXZCNYYFJQDTOF-UHFFFAOYSA-N -1 1 300.307 0.482 20 50 DCGDMM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)NNC(=O)C1CC1)c1ccccc1 ZINC000826054430 601651337 /nfs/dbraw/zinc/65/13/37/601651337.db2.gz MXBZLKHAPWUSJU-QMTHXVAHSA-N -1 1 319.361 0.595 20 50 DCGDMM C[C@H](CC(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1)NC(=O)[O-] ZINC000824678570 604003779 /nfs/dbraw/zinc/00/37/79/604003779.db2.gz BYVHRGUMQNTFAG-SSDOTTSWSA-N -1 1 305.294 0.825 20 50 DCGDMM Cc1cc(=NNC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)[nH]cn1 ZINC000830123669 605332549 /nfs/dbraw/zinc/33/25/49/605332549.db2.gz ZYXSUXSUFORZSW-JTQLQIEISA-N -1 1 309.326 0.387 20 50 DCGDMM O=C([O-])NCCCC(=O)NN=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000834228730 605800372 /nfs/dbraw/zinc/80/03/72/605800372.db2.gz PGJLQIKALGCVIP-UHFFFAOYSA-N -1 1 310.266 0.798 20 50 DCGDMM O=C([O-])N1CCC2(C[C@@H]2C(=O)NNc2ncc(F)cn2)CC1 ZINC000834046685 605970766 /nfs/dbraw/zinc/97/07/66/605970766.db2.gz BBSOHCIITRSKTJ-SECBINFHSA-N -1 1 309.301 0.839 20 50 DCGDMM O=C([O-])N1CCC2(C[C@@H]2C(=O)NN=c2ncc(F)c[nH]2)CC1 ZINC000834046685 605970767 /nfs/dbraw/zinc/97/07/67/605970767.db2.gz BBSOHCIITRSKTJ-SECBINFHSA-N -1 1 309.301 0.839 20 50 DCGDMM CC(=NNC(=O)[C@@H]1COCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948740 608094955 /nfs/dbraw/zinc/09/49/55/608094955.db2.gz VTKIOHBQEUSZJX-QMMMGPOBSA-N -1 1 322.350 0.184 20 50 DCGDMM COCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821691147 945818953 /nfs/dbraw/zinc/81/89/53/945818953.db2.gz KPSPOJLDJGWXBO-SOFGYWHQSA-N -1 1 304.335 0.598 20 50 DCGDMM Cc1csc(CC(=O)NN=Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC000822408312 946081336 /nfs/dbraw/zinc/08/13/36/946081336.db2.gz ALRBCGJXVQLUJD-UHFFFAOYSA-N -1 1 317.334 0.917 20 50 DCGDMM Cc1csc(CC(=O)NN=Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC000822408312 946081347 /nfs/dbraw/zinc/08/13/47/946081347.db2.gz ALRBCGJXVQLUJD-UHFFFAOYSA-N -1 1 317.334 0.917 20 50 DCGDMM CC(C)c1ncc[nH]c1=NNC(=O)C1(C(=O)[O-])CCOCC1 ZINC001603110200 972189001 /nfs/dbraw/zinc/18/90/01/972189001.db2.gz WRIUDQMVBXFRSB-UHFFFAOYSA-N -1 1 308.338 0.925 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(C)(C(=O)[O-])CC1 ZINC001588843170 961839051 /nfs/dbraw/zinc/83/90/51/961839051.db2.gz CJTFIPVIFKOZAL-NSHDSACASA-N -1 1 313.398 0.755 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC001588843337 961844373 /nfs/dbraw/zinc/84/43/73/961844373.db2.gz MEJDHFYPGTVYRC-WOPDTQHZSA-N -1 1 313.398 0.754 20 50 DCGDMM CC(C)c1ncc[nH]c1=NNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001592039515 976760896 /nfs/dbraw/zinc/76/08/96/976760896.db2.gz LPAQAMIJXJXONF-FXPVBKGRSA-N -1 1 308.338 0.921 20 50 DCGDMM C[C@@H](CN(C)CC(=O)NNC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000736570667 978342921 /nfs/dbraw/zinc/34/29/21/978342921.db2.gz DWBDSYYCTBWAOP-VIFPVBQESA-N -1 1 311.313 0.239 20 50 DCGDMM Cc1cc(NNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])nc(C)n1 ZINC000830121675 603639349 /nfs/dbraw/zinc/63/93/49/603639349.db2.gz GYVDWCOVELJIAO-LLVKDONJSA-N -1 1 323.353 0.696 20 50 DCGDMM CCOC(=O)c1cnc(=NNC(=O)C2(NC(=O)[O-])CC2)[nH]c1C ZINC000833861655 605442088 /nfs/dbraw/zinc/44/20/88/605442088.db2.gz TVTSESGGATZHRT-UHFFFAOYSA-N -1 1 323.309 0.205 20 50 DCGDMM CCOC(=O)c1cnc(=NNC(=O)[C@@H](C)NC(=O)[O-])[nH]c1C ZINC000833861920 605442175 /nfs/dbraw/zinc/44/21/75/605442175.db2.gz VQQSSAISHSKUKO-SSDOTTSWSA-N -1 1 311.298 0.061 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)[C@@]1(C)CCCN1C(=O)[O-] ZINC000833918936 605697526 /nfs/dbraw/zinc/69/75/26/605697526.db2.gz WUSJBINYHNBCJD-GFCCVEGCSA-N -1 1 312.351 0.745 20 50 DCGDMM Cc1n[nH]cc1C(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822418685 946081839 /nfs/dbraw/zinc/08/18/39/946081839.db2.gz DDOICSANBXYFGP-UHFFFAOYSA-N -1 1 302.323 0.724 20 50 DCGDMM Cc1cc(NNC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)nc(C)n1 ZINC001574343045 960945039 /nfs/dbraw/zinc/94/50/39/960945039.db2.gz AIEDWTNALQOXHH-MNOVXSKESA-N -1 1 308.338 0.806 20 50 DCGDMM CN(CC(=O)NNC(=O)c1ccccc1)C(C)(C)CC(=O)[O-] ZINC001598396907 991665199 /nfs/dbraw/zinc/66/51/99/991665199.db2.gz XLFDHHNELKVKDZ-UHFFFAOYSA-N -1 1 307.350 0.633 20 50 DCGDMM O=C([O-])NNC(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000832748976 603673182 /nfs/dbraw/zinc/67/31/82/603673182.db2.gz YLRIPJHHEUHQQX-UHFFFAOYSA-N -1 1 314.386 0.751 20 50 DCGDMM C=CCOCC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000735437344 944650351 /nfs/dbraw/zinc/65/03/51/944650351.db2.gz DYDZULHHPPIOOS-UHFFFAOYSA-N -1 1 307.314 0.624 20 50 DCGDMM O=C([O-])c1cc(C(=O)NNC(=O)c2cc3ccccc3o2)[nH]n1 ZINC001594783243 953654689 /nfs/dbraw/zinc/65/46/89/953654689.db2.gz XEZKSWOMSBOLAD-UHFFFAOYSA-N -1 1 314.257 0.929 20 50 DCGDMM Cn1nc(C(=O)[O-])cc1C(=O)NNc1ccnc2ccccc21 ZINC001605539178 973736739 /nfs/dbraw/zinc/73/67/39/973736739.db2.gz NDJSLMCOEKVHHW-UHFFFAOYSA-N -1 1 311.301 0.845 20 50 DCGDMM CCOC(=O)c1cnc(=NNC(=O)[C@@H](CC)C(=O)[O-])[nH]c1C ZINC001596739778 985038201 /nfs/dbraw/zinc/03/82/01/985038201.db2.gz KBVRNJUKUMVNQN-MRVPVSSYSA-N -1 1 310.310 0.516 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001591111646 991772135 /nfs/dbraw/zinc/77/21/35/991772135.db2.gz SHNUVEWCEUMRDQ-RWSFTLGLSA-N -1 1 311.382 0.508 20 50 DCGDMM CN(C)c1nccc(NNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000830650869 601211144 /nfs/dbraw/zinc/21/11/44/601211144.db2.gz BFSYNPACGWOSAM-UWVGGRQHSA-N -1 1 307.354 0.877 20 50 DCGDMM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1O ZINC000827303054 602265955 /nfs/dbraw/zinc/26/59/55/602265955.db2.gz AEMLMUHDEMQWQO-LURJTMIESA-N -1 1 300.698 0.917 20 50 DCGDMM Cc1noc(C)c1C(=O)NNC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000830904744 605189312 /nfs/dbraw/zinc/18/93/12/605189312.db2.gz ZESFUBQJUNKRKV-VIFPVBQESA-N -1 1 310.310 0.442 20 50 DCGDMM O=C([O-])NCC(=O)NNC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000834203550 605461638 /nfs/dbraw/zinc/46/16/38/605461638.db2.gz SSOZSQIILZRAAD-UHFFFAOYSA-N -1 1 303.278 0.105 20 50 DCGDMM O=C([O-])N1CCC[C@H](OCC(=O)NNc2ncc(F)cn2)C1 ZINC000834009021 605612997 /nfs/dbraw/zinc/61/29/97/605612997.db2.gz APPXAAHLHRDNPS-VIFPVBQESA-N -1 1 313.289 0.218 20 50 DCGDMM O=C([O-])N1CCC[C@H](OCC(=O)NN=c2ncc(F)c[nH]2)C1 ZINC000834009021 605612999 /nfs/dbraw/zinc/61/29/99/605612999.db2.gz APPXAAHLHRDNPS-VIFPVBQESA-N -1 1 313.289 0.218 20 50 DCGDMM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)[C@H](C)CN1CCOCC1 ZINC000833801818 605625071 /nfs/dbraw/zinc/62/50/71/605625071.db2.gz MGFUAKDZNGCMHG-MNOVXSKESA-N -1 1 314.386 0.493 20 50 DCGDMM COC[C@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736966982 944921550 /nfs/dbraw/zinc/92/15/50/944921550.db2.gz DIEGPJNYSOTXEC-ZETCQYMHSA-N -1 1 309.330 0.704 20 50 DCGDMM C[C@H]1C[C@H](C(=O)[O-])CN(CC(=O)NNC(=O)c2ccccc2)C1 ZINC000398716226 951600779 /nfs/dbraw/zinc/60/07/79/951600779.db2.gz FUDPWWMUUOOMGK-AAEUAGOBSA-N -1 1 319.361 0.490 20 50 DCGDMM CCC(=O)NNC(=O)[C@@H](C)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001589424905 954607695 /nfs/dbraw/zinc/60/76/95/954607695.db2.gz DWOWVAXHFJHTIU-ZYHUDNBSSA-N -1 1 307.350 0.218 20 50 DCGDMM Cn1nc(C(=O)[O-])cc1C(=O)NNc1nccnc1C1CCC1 ZINC001594569675 955868173 /nfs/dbraw/zinc/86/81/73/955868173.db2.gz ZFOXGAUSQLFOER-UHFFFAOYSA-N -1 1 316.321 0.933 20 50 DCGDMM CN(C)c1nccc(NNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000830650871 601211297 /nfs/dbraw/zinc/21/12/97/601211297.db2.gz BFSYNPACGWOSAM-VHSXEESVSA-N -1 1 307.354 0.877 20 50 DCGDMM O=C([O-])NCCNC(=O)NN=Cc1cc(-c2ccccc2)n[nH]1 ZINC000832652876 605240106 /nfs/dbraw/zinc/24/01/06/605240106.db2.gz MIUIYZNHHQRNRS-UHFFFAOYSA-N -1 1 316.321 0.977 20 50 DCGDMM CC(C)CCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735796612 944701740 /nfs/dbraw/zinc/70/17/40/944701740.db2.gz FPCGALUCAXJAAV-UHFFFAOYSA-N -1 1 303.326 0.459 20 50 DCGDMM CC(C)CCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735796612 944701747 /nfs/dbraw/zinc/70/17/47/944701747.db2.gz FPCGALUCAXJAAV-UHFFFAOYSA-N -1 1 303.326 0.459 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C[C@@H]2CCOC2)o1 ZINC000735939354 944722452 /nfs/dbraw/zinc/72/24/52/944722452.db2.gz NMSBTPFWLNZUHC-QMMMGPOBSA-N -1 1 321.341 0.848 20 50 DCGDMM CCC1(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)COC1 ZINC000820943817 945594521 /nfs/dbraw/zinc/59/45/21/945594521.db2.gz BSBKFJKYZNGGBB-UHFFFAOYSA-N -1 1 321.341 0.848 20 50 DCGDMM O=C(NCC(F)(F)F)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823162411 946333317 /nfs/dbraw/zinc/33/33/17/946333317.db2.gz VEIQFMHMZXGCFG-UHFFFAOYSA-N -1 1 303.204 0.655 20 50 DCGDMM O=C(NCC(F)(F)F)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823162411 946333325 /nfs/dbraw/zinc/33/33/25/946333325.db2.gz VEIQFMHMZXGCFG-UHFFFAOYSA-N -1 1 303.204 0.655 20 50 DCGDMM Cc1onc(CC(=O)NNc2cccc(C#N)c2)c1-c1nnn[n-]1 ZINC000826348241 948068473 /nfs/dbraw/zinc/06/84/73/948068473.db2.gz CLVSTAZEEHEKFM-UHFFFAOYSA-N -1 1 324.304 0.721 20 50 DCGDMM Cc1onc(CC(=O)NNc2cccc(C#N)c2)c1-c1nn[n-]n1 ZINC000826348241 948068482 /nfs/dbraw/zinc/06/84/82/948068482.db2.gz CLVSTAZEEHEKFM-UHFFFAOYSA-N -1 1 324.304 0.721 20 50 DCGDMM Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@H](C(=O)[O-])C1 ZINC000818958967 955427626 /nfs/dbraw/zinc/42/76/26/955427626.db2.gz UAEIQDXWYLLDTM-ZDUSSCGKSA-N -1 1 319.361 0.091 20 50 DCGDMM C[C@H](CN1CCOCC1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589040008 955587423 /nfs/dbraw/zinc/58/74/23/955587423.db2.gz WVESSEKRYWRRCZ-SNVBAGLBSA-N -1 1 308.338 0.191 20 50 DCGDMM C[C@H](CNC(=O)NNC(=O)c1ccc2ccccc2n1)C(=O)[O-] ZINC001603183970 972285045 /nfs/dbraw/zinc/28/50/45/972285045.db2.gz LSWXJOOHSBOPTQ-SECBINFHSA-N -1 1 316.317 0.900 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000738374372 978527564 /nfs/dbraw/zinc/52/75/64/978527564.db2.gz XOJKFVWOLIVEFH-ZETCQYMHSA-N -1 1 300.340 0.505 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000738892254 978607716 /nfs/dbraw/zinc/60/77/16/978607716.db2.gz FJAQMHNBGSFLSG-UHFFFAOYSA-N -1 1 324.318 0.887 20 50 DCGDMM CCN1CCN(CC(=O)NNc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001596429931 984093855 /nfs/dbraw/zinc/09/38/55/984093855.db2.gz DLYPGUXLVDQQHH-UHFFFAOYSA-N -1 1 324.356 0.605 20 50 DCGDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NNC(=O)C(C)(C)C ZINC001594519078 985940643 /nfs/dbraw/zinc/94/06/43/985940643.db2.gz JNEKDDDIAPXLLB-JTQLQIEISA-N -1 1 314.386 0.254 20 50 DCGDMM CCC(=O)NNC(=O)[C@@H](C)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001594712278 987174721 /nfs/dbraw/zinc/17/47/21/987174721.db2.gz DWOWVAXHFJHTIU-PWSUYJOCSA-N -1 1 307.350 0.218 20 50 DCGDMM O=C([O-])N1CCC[C@H]1C(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000831742919 604007710 /nfs/dbraw/zinc/00/77/10/604007710.db2.gz VXLSJYHTMTUJHR-JTQLQIEISA-N -1 1 317.305 0.921 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)CCCCNC(=O)[O-] ZINC000833918068 605903944 /nfs/dbraw/zinc/90/39/44/605903944.db2.gz NLHCIVCVQQMMTO-UHFFFAOYSA-N -1 1 300.340 0.650 20 50 DCGDMM COC[C@@H](C)NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821681560 945801252 /nfs/dbraw/zinc/80/12/52/945801252.db2.gz NONXRJRXDCNCLK-CBVZUMJXSA-N -1 1 318.362 0.986 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C2(C)COC2)o1 ZINC000824352850 946667882 /nfs/dbraw/zinc/66/78/82/946667882.db2.gz PVERTBPTWGTRRX-UHFFFAOYSA-N -1 1 307.314 0.458 20 50 DCGDMM Cc1onc(CC(=O)NNc2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826348660 948078123 /nfs/dbraw/zinc/07/81/23/948078123.db2.gz XPOLMBTZMMDALH-UHFFFAOYSA-N -1 1 317.284 0.988 20 50 DCGDMM Cc1onc(CC(=O)NNc2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826348660 948078131 /nfs/dbraw/zinc/07/81/31/948078131.db2.gz XPOLMBTZMMDALH-UHFFFAOYSA-N -1 1 317.284 0.988 20 50 DCGDMM C[C@]1(C(=O)[O-])CCN(CC(=O)NNC(=O)c2ccccc2)C1 ZINC000315832241 963939781 /nfs/dbraw/zinc/93/97/81/963939781.db2.gz DNKFXVMSFYCETH-HNNXBMFYSA-N -1 1 305.334 0.244 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCC[C@@H]1CC(=O)[O-] ZINC000736402712 978330931 /nfs/dbraw/zinc/33/09/31/978330931.db2.gz XZOQISNIBLEGCH-NWDGAFQWSA-N -1 1 313.398 0.898 20 50 DCGDMM O=C([O-])NCCC(=O)NNC(=O)c1ccc(Cl)cc1O ZINC000739938368 978659465 /nfs/dbraw/zinc/65/94/65/978659465.db2.gz RYPNNPKTGIMHKV-UHFFFAOYSA-N -1 1 301.686 0.464 20 50 DCGDMM Cc1ccc(C)c(NNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000826284816 607388815 /nfs/dbraw/zinc/38/88/15/607388815.db2.gz HBZJLZMTMZOFFB-UHFFFAOYSA-N -1 1 313.325 0.218 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000830835131 603574504 /nfs/dbraw/zinc/57/45/04/603574504.db2.gz WZVQFJBSHSJHTG-JGVFFNPUSA-N -1 1 312.351 0.649 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000830828893 603928923 /nfs/dbraw/zinc/92/89/23/603928923.db2.gz FQYQMSBWZWWNNY-LBPRGKRZSA-N -1 1 312.351 0.603 20 50 DCGDMM Cc1nc(C(C)C)sc1C(=O)NNC(=O)CNC(=O)[O-] ZINC000833912063 605455419 /nfs/dbraw/zinc/45/54/19/605455419.db2.gz BOPQGMNKKSPULT-UHFFFAOYSA-N -1 1 300.340 0.604 20 50 DCGDMM CCOCCCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821378805 945686341 /nfs/dbraw/zinc/68/63/41/945686341.db2.gz ULUSIBFWULZCGN-CSKARUKUSA-N -1 1 316.321 0.909 20 50 DCGDMM CCOCCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821378805 945686350 /nfs/dbraw/zinc/68/63/50/945686350.db2.gz ULUSIBFWULZCGN-CSKARUKUSA-N -1 1 316.321 0.909 20 50 DCGDMM COC[C@@H](C)NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821681561 945800796 /nfs/dbraw/zinc/80/07/96/945800796.db2.gz NONXRJRXDCNCLK-CPJBWDMUSA-N -1 1 318.362 0.986 20 50 DCGDMM CCOC(=O)c1cnc(=NNC(=O)C[C@H](C)CC(=O)[O-])[nH]c1C ZINC001596740134 985043796 /nfs/dbraw/zinc/04/37/96/985043796.db2.gz UCPFIBMMHVPTTL-QMMMGPOBSA-N -1 1 324.337 0.906 20 50 DCGDMM C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001594584778 986468543 /nfs/dbraw/zinc/46/85/43/986468543.db2.gz MOYJOBPJBSHSKR-TVQRCGJNSA-N -1 1 322.340 0.355 20 50 DCGDMM CC(C)C(=O)NNC(=O)CN[C@@](C)(CC(=O)[O-])c1cccnc1 ZINC001590938892 990968403 /nfs/dbraw/zinc/96/84/03/990968403.db2.gz LNLVOIBNSBDUON-HNNXBMFYSA-N -1 1 322.365 0.165 20 50 DCGDMM C[C@@H]1[C@@H](C(=O)[O-])CCN1CC(=O)NNC(=O)c1ccc(F)cc1 ZINC001594166149 998625170 /nfs/dbraw/zinc/62/51/70/998625170.db2.gz OZPBBDZQGLPPDP-SKDRFNHKSA-N -1 1 323.324 0.382 20 50 DCGDMM C[C@H](C(=O)[O-])[C@H](NCC(=O)NNC(=O)C1CC1)c1ccccc1 ZINC000826054426 601651367 /nfs/dbraw/zinc/65/13/67/601651367.db2.gz MXBZLKHAPWUSJU-HZMBPMFUSA-N -1 1 319.361 0.595 20 50 DCGDMM C[C@@H](CN(CC(=O)NNC(=O)c1ccccc1)C1CC1)C(=O)[O-] ZINC000833516340 605239801 /nfs/dbraw/zinc/23/98/01/605239801.db2.gz JLRCCIXEEIKFCO-NSHDSACASA-N -1 1 319.361 0.633 20 50 DCGDMM CC(=NNC(=O)C(=O)NC1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823942496 608094164 /nfs/dbraw/zinc/09/41/64/608094164.db2.gz DIAZZJFYXRKGKP-UHFFFAOYSA-N -1 1 319.350 0.047 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001603003126 972052907 /nfs/dbraw/zinc/05/29/07/972052907.db2.gz XUHJOBCAKJZQOM-SDDRHHMPSA-N -1 1 313.398 0.611 20 50 DCGDMM O=C([O-])CSCC(=O)NNC(=O)c1ccc(Cl)cc1O ZINC000740485691 955261662 /nfs/dbraw/zinc/26/16/62/955261662.db2.gz WVOPCWZEEHWHNY-UHFFFAOYSA-N -1 1 318.738 0.624 20 50 DCGDMM CN(C)c1nccc(NNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC001598358557 991477278 /nfs/dbraw/zinc/47/72/78/991477278.db2.gz FDQDGMCOVOJDAH-VHSXEESVSA-N -1 1 307.354 0.877 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)NCC(C)(C)C(=O)[O-] ZINC000833010152 601671276 /nfs/dbraw/zinc/67/12/76/601671276.db2.gz ICGLPXOOGMJSQV-UHFFFAOYSA-N -1 1 300.340 0.506 20 50 DCGDMM CN(C)c1nccc(NNC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)n1 ZINC000828080398 604065779 /nfs/dbraw/zinc/06/57/79/604065779.db2.gz BGFJDUNACOMZBO-ZDUSSCGKSA-N -1 1 308.342 0.376 20 50 DCGDMM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cc[nH]n1 ZINC000826445891 608576238 /nfs/dbraw/zinc/57/62/38/608576238.db2.gz PMZYDWVJYSRXIQ-UHFFFAOYSA-N -1 1 305.689 0.395 20 50 DCGDMM Cc1cccc(C(=O)NNC(=O)CN(C)CCCC(=O)[O-])c1 ZINC001594387277 958689179 /nfs/dbraw/zinc/68/91/79/958689179.db2.gz BKTQLWQGHKSLFJ-UHFFFAOYSA-N -1 1 307.350 0.553 20 50 DCGDMM C[C@@H](C(=O)[O-])C(=O)NNC(=O)c1ccc(Br)s1 ZINC001588574012 959205481 /nfs/dbraw/zinc/20/54/81/959205481.db2.gz SFIFXDMIMJVSTQ-SCSAIBSYSA-N -1 1 321.152 0.992 20 50 DCGDMM CC[C@H](C)[C@H](N[C@H](C)C(=O)NNC(=O)CC(C)C)C(=O)[O-] ZINC001603934882 974422292 /nfs/dbraw/zinc/42/22/92/974422292.db2.gz DGHRBOKNPUBHIQ-UMNHJUIQSA-N -1 1 301.387 0.657 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)NC1(C(=O)[O-])CCCCC1 ZINC000736402737 978330879 /nfs/dbraw/zinc/33/08/79/978330879.db2.gz ZANUWIRBXGSWPH-NSHDSACASA-N -1 1 313.398 0.946 20 50 DCGDMM CN(C)CC#CCNC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001598197096 990805255 /nfs/dbraw/zinc/80/52/55/990805255.db2.gz UDCMBJUWRYHNGN-UHFFFAOYSA-N -1 1 304.350 0.505 20 50 DCGDMM Cc1cc(C)c(C(=O)NNC(=O)NC2CCN(C(=O)[O-])CC2)o1 ZINC000829986866 603448683 /nfs/dbraw/zinc/44/86/83/603448683.db2.gz SHQAWWJFTWROGU-UHFFFAOYSA-N -1 1 324.337 0.983 20 50 DCGDMM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NN=c1ncc(F)c[nH]1 ZINC000834150106 605692702 /nfs/dbraw/zinc/69/27/02/605692702.db2.gz LSBITUSQGREWCR-LLVKDONJSA-N -1 1 319.296 0.938 20 50 DCGDMM Cc1ccc(C(=O)N[N-]C(=O)c2cc(-c3nn[nH]n3)cs2)o1 ZINC000822226541 946008857 /nfs/dbraw/zinc/00/88/57/946008857.db2.gz XUIXUESHNBUKPW-UHFFFAOYSA-N -1 1 318.318 0.904 20 50 DCGDMM O=C([O-])c1ccc(C(=O)NNc2ccnc3cccnc32)nc1 ZINC001595220935 949245844 /nfs/dbraw/zinc/24/58/44/949245844.db2.gz QHKTWWMJZVGABE-UHFFFAOYSA-N -1 1 309.285 0.902 20 50 DCGDMM Nc1cnnc(NNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1Cl ZINC001594666590 956582598 /nfs/dbraw/zinc/58/25/98/956582598.db2.gz RRERJDFYUQWKDN-RITPCOANSA-N -1 1 314.733 0.592 20 50 DCGDMM Cc1cc(NNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)nc(C)n1 ZINC001574343049 960944476 /nfs/dbraw/zinc/94/44/76/960944476.db2.gz AIEDWTNALQOXHH-WDEREUQCSA-N -1 1 308.338 0.806 20 50 DCGDMM O=C([O-])COCC(=O)NN=c1cccc(Br)[nH]1 ZINC001606272898 973646562 /nfs/dbraw/zinc/64/65/62/973646562.db2.gz MHOOGGDGBDAIRL-UHFFFAOYSA-N -1 1 304.100 0.388 20 50 DCGDMM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001606528441 974033077 /nfs/dbraw/zinc/03/30/77/974033077.db2.gz HHSZVUWDMUJRRR-SSDOTTSWSA-N -1 1 302.294 0.461 20 50 DCGDMM CN(C)c1nccc(NNC(=O)CC2(NC(=O)[O-])CCC2)n1 ZINC000828081499 604224991 /nfs/dbraw/zinc/22/49/91/604224991.db2.gz UQVGYZWTJZSGLT-UHFFFAOYSA-N -1 1 308.342 0.566 20 50 DCGDMM O=C([O-])N1CC(C(=O)NNC(=O)c2ccc(Cl)cc2O)C1 ZINC000834045317 605516852 /nfs/dbraw/zinc/51/68/52/605516852.db2.gz NZSVRJRYPBGVIY-UHFFFAOYSA-N -1 1 313.697 0.416 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)[C@@H](CC(F)F)NC(=O)[O-] ZINC000833918027 606037686 /nfs/dbraw/zinc/03/76/86/606037686.db2.gz MOWVXHWBAASJGB-RXMQYKEDSA-N -1 1 322.293 0.504 20 50 DCGDMM CC(=NNC(=O)C(=O)NC(C)C)c1ccc(-c2nn[n-]n2)s1 ZINC000823944201 608094194 /nfs/dbraw/zinc/09/41/94/608094194.db2.gz ZVXLNXJJUJXWAI-UHFFFAOYSA-N -1 1 321.366 0.293 20 50 DCGDMM COC[C@H](C)NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821681492 945800201 /nfs/dbraw/zinc/80/02/01/945800201.db2.gz LZTSCFYUQCZCIB-HXOPTJOXSA-N -1 1 302.294 0.518 20 50 DCGDMM COC[C@H](C)NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821681492 945800215 /nfs/dbraw/zinc/80/02/15/945800215.db2.gz LZTSCFYUQCZCIB-HXOPTJOXSA-N -1 1 302.294 0.518 20 50 DCGDMM COC[C@H](C)NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821681563 945802092 /nfs/dbraw/zinc/80/20/92/945802092.db2.gz NONXRJRXDCNCLK-MOIHINDBSA-N -1 1 318.362 0.986 20 50 DCGDMM C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000315007749 963843420 /nfs/dbraw/zinc/84/34/20/963843420.db2.gz JCGVPACMECGVJN-PWSUYJOCSA-N -1 1 305.334 0.100 20 50 DCGDMM CCN(CCC(=O)[O-])CC(=O)NNC(=O)c1ccc(C)cc1 ZINC000737097185 978379234 /nfs/dbraw/zinc/37/92/34/978379234.db2.gz KDRSWDMRIQPDCL-UHFFFAOYSA-N -1 1 307.350 0.553 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)CN(CC1CC1)C(=O)[O-] ZINC000830834649 602864764 /nfs/dbraw/zinc/86/47/64/602864764.db2.gz KAEFSNVHKIJPLD-UHFFFAOYSA-N -1 1 312.351 0.603 20 50 DCGDMM O=C([O-])N1CCC(NC(=O)NN=C2CCN3CCC[C@H]23)CC1 ZINC000834045244 606006353 /nfs/dbraw/zinc/00/63/53/606006353.db2.gz NIOIIIHDPBNREM-GFCCVEGCSA-N -1 1 309.370 0.652 20 50 DCGDMM COC[C@@H](C)OC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821683263 945808164 /nfs/dbraw/zinc/80/81/64/945808164.db2.gz ZUJNMHJPQSKNRY-CBVZUMJXSA-N -1 1 303.278 0.945 20 50 DCGDMM COC[C@@H](C)OC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821683263 945808179 /nfs/dbraw/zinc/80/81/79/945808179.db2.gz ZUJNMHJPQSKNRY-CBVZUMJXSA-N -1 1 303.278 0.945 20 50 DCGDMM O=C([O-])c1ccc[nH]c1=NNC(=O)Cc1n[nH]c(C2CC2)n1 ZINC001594712751 956894703 /nfs/dbraw/zinc/89/47/03/956894703.db2.gz CSUOCXCHMCQRRB-UHFFFAOYSA-N -1 1 302.294 0.461 20 50 DCGDMM CC(C)(CN1CCOCC1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001588779686 961302300 /nfs/dbraw/zinc/30/23/00/961302300.db2.gz MIQOMFMLSJGAFJ-UHFFFAOYSA-N -1 1 322.365 0.581 20 50 DCGDMM CN(NC(=O)Nc1ccccc1C(=O)[O-])C(=O)N1CCNCC1 ZINC001598540933 992899679 /nfs/dbraw/zinc/89/96/79/992899679.db2.gz GXYWUROJBSKJRY-UHFFFAOYSA-N -1 1 321.337 0.378 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C ZINC000830834815 605703731 /nfs/dbraw/zinc/70/37/31/605703731.db2.gz PIKUVPFXQYCNPZ-MRVPVSSYSA-N -1 1 314.367 0.895 20 50 DCGDMM O=C([O-])NCCCC(=O)NNC(=O)c1cccc2nc[nH]c21 ZINC000834230161 605974969 /nfs/dbraw/zinc/97/49/69/605974969.db2.gz TWEPPLDNONIPCX-UHFFFAOYSA-N -1 1 305.294 0.372 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000831077709 955551963 /nfs/dbraw/zinc/55/19/63/955551963.db2.gz YRLNMHRJUQCVST-JGVFFNPUSA-N -1 1 312.351 0.649 20 50 DCGDMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)CC(C)(C)CCl ZINC000864494779 955982421 /nfs/dbraw/zinc/98/24/21/955982421.db2.gz RRYRIBHMRDPSSC-UHFFFAOYSA-N -1 1 314.835 0.529 20 50 DCGDMM Cc1ccc(C(=O)NNC(=O)CN(C)CCCC(=O)[O-])cc1 ZINC001574357714 961011294 /nfs/dbraw/zinc/01/12/94/961011294.db2.gz WGIGSYFJRFQHPB-UHFFFAOYSA-N -1 1 307.350 0.553 20 50 DCGDMM CC(C)(CS(=O)(=O)NNC(=O)c1ccccc1F)C(=O)[O-] ZINC001590817589 990648641 /nfs/dbraw/zinc/64/86/41/990648641.db2.gz DLHUPMIGJGXMMG-UHFFFAOYSA-N -1 1 318.326 0.501 20 50 DCGDMM C[C@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC000828441648 601532860 /nfs/dbraw/zinc/53/28/60/601532860.db2.gz RMRITOYKGFHAJW-CABZTGNLSA-N -1 1 323.324 0.239 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@H](C(=O)[O-])C(C)(C)C ZINC000826753824 602224186 /nfs/dbraw/zinc/22/41/86/602224186.db2.gz GBYWHRKJAGNZKT-MWLCHTKSSA-N -1 1 301.387 0.657 20 50 DCGDMM Cc1cc(NNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])nc(C)n1 ZINC000830121851 603639293 /nfs/dbraw/zinc/63/92/93/603639293.db2.gz GYVDWCOVELJIAO-NSHDSACASA-N -1 1 323.353 0.696 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000833009854 604511042 /nfs/dbraw/zinc/51/10/42/604511042.db2.gz DNMBGGJJHCHSCZ-MRVPVSSYSA-N -1 1 312.351 0.745 20 50 DCGDMM Cc1onc(CC(=O)NNc2ccnc(F)c2)c1-c1nnn[n-]1 ZINC000826348427 609299367 /nfs/dbraw/zinc/29/93/67/609299367.db2.gz LNDWLSUYJYEGQR-UHFFFAOYSA-N -1 1 318.272 0.383 20 50 DCGDMM Cc1onc(CC(=O)NNc2ccnc(F)c2)c1-c1nn[n-]n1 ZINC000826348427 609299369 /nfs/dbraw/zinc/29/93/69/609299369.db2.gz LNDWLSUYJYEGQR-UHFFFAOYSA-N -1 1 318.272 0.383 20 50 DCGDMM O=C(NNc1ccc(Cl)nn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738137670 945245838 /nfs/dbraw/zinc/24/58/38/945245838.db2.gz RIIDHNJWYRXJRG-UHFFFAOYSA-N -1 1 317.700 0.462 20 50 DCGDMM O=C(NNc1ccc(Cl)nn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738137670 945245848 /nfs/dbraw/zinc/24/58/48/945245848.db2.gz RIIDHNJWYRXJRG-UHFFFAOYSA-N -1 1 317.700 0.462 20 50 DCGDMM Cc1onc(CC(=O)NNc2ccccc2F)c1-c1nnn[n-]1 ZINC000826348512 948076834 /nfs/dbraw/zinc/07/68/34/948076834.db2.gz QCGLURSWSUYVHG-UHFFFAOYSA-N -1 1 317.284 0.988 20 50 DCGDMM Cc1onc(CC(=O)NNc2ccccc2F)c1-c1nn[n-]n1 ZINC000826348512 948076840 /nfs/dbraw/zinc/07/68/40/948076840.db2.gz QCGLURSWSUYVHG-UHFFFAOYSA-N -1 1 317.284 0.988 20 50 DCGDMM CCC(CC)([NH2+]CC(=O)N[N-]C(=O)c1cccs1)C(=O)[O-] ZINC000094243155 958283996 /nfs/dbraw/zinc/28/39/96/958283996.db2.gz SXOPSVHFCWAORR-UHFFFAOYSA-N -1 1 313.379 0.742 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001588844296 961852773 /nfs/dbraw/zinc/85/27/73/961852773.db2.gz YRXBDFOGUKLYBE-SRVKXCTJSA-N -1 1 313.398 0.611 20 50 DCGDMM CN(CC(=O)NNc1cccc(C(=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC001598396546 991657855 /nfs/dbraw/zinc/65/78/55/991657855.db2.gz LIVKGPWEDCGSCE-CHWSQXEVSA-N -1 1 307.350 0.673 20 50 DCGDMM Cc1[nH]nc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1[O-] ZINC000826321506 607463564 /nfs/dbraw/zinc/46/35/64/607463564.db2.gz HBORVRUETUNMEJ-UHFFFAOYSA-N -1 1 300.282 0.361 20 50 DCGDMM Cc1ccc(C(=O)NNC(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000832912116 601523097 /nfs/dbraw/zinc/52/30/97/601523097.db2.gz VEAIKMTZFGRBAD-AAEUAGOBSA-N -1 1 319.361 0.409 20 50 DCGDMM Cc1ccccc1CC(=O)NNC(=O)CN(C)C[C@H](C)C(=O)[O-] ZINC000832977803 604479238 /nfs/dbraw/zinc/47/92/38/604479238.db2.gz UCOJIGDPPLPKQP-LBPRGKRZSA-N -1 1 321.377 0.337 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)[N@@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000826753942 604745459 /nfs/dbraw/zinc/74/54/59/604745459.db2.gz HOTSCFMMWBGWGG-MNOVXSKESA-N -1 1 313.398 0.754 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000826753942 604745461 /nfs/dbraw/zinc/74/54/61/604745461.db2.gz HOTSCFMMWBGWGG-MNOVXSKESA-N -1 1 313.398 0.754 20 50 DCGDMM O=C(NNc1nccnc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738138285 945250376 /nfs/dbraw/zinc/25/03/76/945250376.db2.gz XPZNUOITQUQZGZ-UHFFFAOYSA-N -1 1 317.700 0.462 20 50 DCGDMM O=C(NNc1nccnc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738138285 945250379 /nfs/dbraw/zinc/25/03/79/945250379.db2.gz XPZNUOITQUQZGZ-UHFFFAOYSA-N -1 1 317.700 0.462 20 50 DCGDMM CC(C)[C@H](CNC(=O)NNc1nncc(N)c1Cl)C(=O)[O-] ZINC001588825660 961671786 /nfs/dbraw/zinc/67/17/86/961671786.db2.gz ZTWXAQVXXVPTSP-LURJTMIESA-N -1 1 316.749 0.695 20 50 DCGDMM COc1cccc(NNC(=O)Nc2cc(C(=O)[O-])nn2C)n1 ZINC001599679837 994961398 /nfs/dbraw/zinc/96/13/98/994961398.db2.gz LAPULXUFMDNFDB-UHFFFAOYSA-N -1 1 306.282 0.671 20 50 DCGDMM COc1cc(C(=O)[O-])ccc1NNC(=O)CCc1nc[nH]n1 ZINC001599376742 998498579 /nfs/dbraw/zinc/49/85/79/998498579.db2.gz BXGNMYBZTMNHGP-UHFFFAOYSA-N -1 1 305.294 0.587 20 50 DCGDMM Cc1cc(F)ccc1NNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826269080 607393368 /nfs/dbraw/zinc/39/33/68/607393368.db2.gz ZOIHZEILPCCCPB-UHFFFAOYSA-N -1 1 317.288 0.049 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000830829440 604155427 /nfs/dbraw/zinc/15/54/27/604155427.db2.gz KKBRZTUWZKNNHX-LURJTMIESA-N -1 1 300.340 0.458 20 50 DCGDMM Cc1sc(-c2ccco2)nc1C(=O)NNC(=O)CNC(=O)[O-] ZINC000833936600 605459932 /nfs/dbraw/zinc/45/99/32/605459932.db2.gz NGCSWKUNTQUAFF-UHFFFAOYSA-N -1 1 324.318 0.740 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)N[C@H](C)CCNC(=O)[O-] ZINC000833917413 605683472 /nfs/dbraw/zinc/68/34/72/605683472.db2.gz HICJQECCKGCIPL-ZCFIWIBFSA-N -1 1 315.355 0.442 20 50 DCGDMM O=C([O-])NCCC(=O)NN=Cc1cc(-c2cccnc2)n[nH]1 ZINC000834227998 605750013 /nfs/dbraw/zinc/75/00/13/605750013.db2.gz WBJBQNWJVCOGRS-UHFFFAOYSA-N -1 1 302.294 0.580 20 50 DCGDMM C#CCOCCC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000823856376 607889029 /nfs/dbraw/zinc/88/90/29/607889029.db2.gz QBOYJTOOWLURGI-UHFFFAOYSA-N -1 1 319.325 0.461 20 50 DCGDMM Cn1cc(C(=O)NN=Cc2ccc(-c3nn[n-]n3)s2)cn1 ZINC000822668658 946149519 /nfs/dbraw/zinc/14/95/19/946149519.db2.gz CVXPCIXOGAHKTD-UHFFFAOYSA-N -1 1 302.323 0.426 20 50 DCGDMM C[C@H]1C[C@@H](C(=O)[O-])CN(CC(=O)NNC(=O)c2ccccc2)C1 ZINC000398716526 951602589 /nfs/dbraw/zinc/60/25/89/951602589.db2.gz FUDPWWMUUOOMGK-WCQYABFASA-N -1 1 319.361 0.490 20 50 DCGDMM Cc1cc(CC(=O)NNC(=O)c2coc(C=CC(=O)[O-])c2)[nH]n1 ZINC001574326035 960850737 /nfs/dbraw/zinc/85/07/37/960850737.db2.gz GRDBQJPMSAEASU-NSCUHMNNSA-N -1 1 318.289 0.413 20 50 DCGDMM Cc1cc(NNC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)nc(C)n1 ZINC001574343044 960943982 /nfs/dbraw/zinc/94/39/82/960943982.db2.gz AIEDWTNALQOXHH-GHMZBOCLSA-N -1 1 308.338 0.806 20 50 DCGDMM CC(C)[C@@H](CNC(=O)NNc1nncc(N)c1Cl)C(=O)[O-] ZINC001588825665 961671134 /nfs/dbraw/zinc/67/11/34/961671134.db2.gz ZTWXAQVXXVPTSP-ZCFIWIBFSA-N -1 1 316.749 0.695 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=S)NCCCC(=O)[O-] ZINC000738892308 978607799 /nfs/dbraw/zinc/60/77/99/978607799.db2.gz JBBRNFCDRABAJP-UHFFFAOYSA-N -1 1 302.381 0.425 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001591111040 991765134 /nfs/dbraw/zinc/76/51/34/991765134.db2.gz DLQRCJYXJJKOIR-GRYCIOLGSA-N -1 1 313.398 0.754 20 50 DCGDMM COC(=O)c1ccc(NNC(=O)C23CC(C(=O)[O-])(C2)C3)nc1 ZINC001598984017 998684699 /nfs/dbraw/zinc/68/46/99/998684699.db2.gz GLCYHECLQBEAAZ-UHFFFAOYSA-N -1 1 305.290 0.566 20 50 DCGDMM O=C([O-])NCCOCC(=O)NNC(=O)c1cc2ccccc2o1 ZINC000832668493 603498483 /nfs/dbraw/zinc/49/84/83/603498483.db2.gz MJELKMUHRWLDAY-UHFFFAOYSA-N -1 1 321.289 0.478 20 50 DCGDMM C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cccc(C(=O)[O-])c1 ZINC000814762714 955359724 /nfs/dbraw/zinc/35/97/24/955359724.db2.gz IOHKFCJTOUALPR-LBPRGKRZSA-N -1 1 319.361 0.803 20 50 DCGDMM COc1cccc(NNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)n1 ZINC001594131596 958679073 /nfs/dbraw/zinc/67/90/73/958679073.db2.gz FJQCEWJZJRBSAW-VHSXEESVSA-N -1 1 309.322 0.803 20 50 DCGDMM CC(C)c1nccnc1NNC(=O)c1cc(C(=O)[O-])nn1C ZINC001592039489 976761131 /nfs/dbraw/zinc/76/11/31/976761131.db2.gz KESYABLPXFYTDB-UHFFFAOYSA-N -1 1 304.310 0.789 20 50 DCGDMM CC(=NNC(=O)Cc1cc(C)n[nH]1)c1ncc(C(=O)[O-])s1 ZINC001589012115 984991987 /nfs/dbraw/zinc/99/19/87/984991987.db2.gz BOTFVXJWWMTCST-UHFFFAOYSA-N -1 1 307.335 0.956 20 50 DCGDMM CCOC(=O)c1cnc(=NNC(=O)C[C@@H](C)CC(=O)[O-])[nH]c1C ZINC001596740133 985044134 /nfs/dbraw/zinc/04/41/34/985044134.db2.gz UCPFIBMMHVPTTL-MRVPVSSYSA-N -1 1 324.337 0.906 20 50 DCGDMM O=C([O-])NCCNC(=O)NN=Cc1cc(F)c(O)c(F)c1 ZINC000832652621 603861167 /nfs/dbraw/zinc/86/11/67/603861167.db2.gz HRLNAZMNWWXSHU-UHFFFAOYSA-N -1 1 302.237 0.571 20 50 DCGDMM O=C(NNC(=O)C1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738130100 945206734 /nfs/dbraw/zinc/20/67/34/945206734.db2.gz JWXHFTAJNHYROK-UHFFFAOYSA-N -1 1 301.310 0.213 20 50 DCGDMM O=C(NNC(=O)C1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738130100 945206739 /nfs/dbraw/zinc/20/67/39/945206739.db2.gz JWXHFTAJNHYROK-UHFFFAOYSA-N -1 1 301.310 0.213 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CCCOC2)o1 ZINC000735939140 944719249 /nfs/dbraw/zinc/71/92/49/944719249.db2.gz KDRQVRZMFWSCRY-QMMMGPOBSA-N -1 1 321.341 0.848 20 50 DCGDMM Cc1onc(CC(=O)NNC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826348569 948078895 /nfs/dbraw/zinc/07/88/95/948078895.db2.gz SVFLANONDQCENC-UHFFFAOYSA-N -1 1 323.313 0.262 20 50 DCGDMM Cc1onc(CC(=O)NNC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826348569 948078902 /nfs/dbraw/zinc/07/89/02/948078902.db2.gz SVFLANONDQCENC-UHFFFAOYSA-N -1 1 323.313 0.262 20 50 DCGDMM O=C([O-])[C@@H](C(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1)C1CC1 ZINC001594835685 954024991 /nfs/dbraw/zinc/02/49/91/954024991.db2.gz KKHSDKDOLKZMDR-SNVBAGLBSA-N -1 1 302.290 0.889 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](CC(=O)[O-])C1 ZINC000817858614 955369674 /nfs/dbraw/zinc/36/96/74/955369674.db2.gz LJIVLPWQHCOQQF-VXGBXAGGSA-N -1 1 313.398 0.755 20 50 DCGDMM Cc1ccccc1CC(=O)NNC(=O)CN[C@@H](C(=O)[O-])C(C)C ZINC001605355756 973265451 /nfs/dbraw/zinc/26/54/51/973265451.db2.gz NFWUSEBXJAKRKF-OAHLLOKOSA-N -1 1 321.377 0.384 20 50 DCGDMM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1O ZINC000827303055 602266069 /nfs/dbraw/zinc/26/60/69/602266069.db2.gz AEMLMUHDEMQWQO-ZCFIWIBFSA-N -1 1 300.698 0.917 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000830834839 602864820 /nfs/dbraw/zinc/86/48/20/602864820.db2.gz PXTMPMUFFVCJPY-MRVPVSSYSA-N -1 1 312.351 0.745 20 50 DCGDMM Cc1onc(-c2ccccn2)c1C(=O)NNC(=O)CNC(=O)[O-] ZINC000833936716 605459863 /nfs/dbraw/zinc/45/98/63/605459863.db2.gz PSRRVRWCFABDOT-UHFFFAOYSA-N -1 1 319.277 0.074 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588844293 961853823 /nfs/dbraw/zinc/85/38/23/961853823.db2.gz YRXBDFOGUKLYBE-GRYCIOLGSA-N -1 1 313.398 0.611 20 50 DCGDMM CC[C@H](C)[C@H](N[C@@H](C)C(=O)NNC(=O)CC(C)C)C(=O)[O-] ZINC001603934877 974422303 /nfs/dbraw/zinc/42/23/03/974422303.db2.gz DGHRBOKNPUBHIQ-NHCYSSNCSA-N -1 1 301.387 0.657 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000738374371 978527518 /nfs/dbraw/zinc/52/75/18/978527518.db2.gz XOJKFVWOLIVEFH-SSDOTTSWSA-N -1 1 300.340 0.505 20 50 DCGDMM C[C@H](CN1CCOCC1)C(=O)NN=Cc1c[nH]c(C(=O)[O-])c1 ZINC000827461062 601796727 /nfs/dbraw/zinc/79/67/27/601796727.db2.gz LOAWXCUYMJWPFB-SNVBAGLBSA-N -1 1 308.338 0.131 20 50 DCGDMM C[C@@]1(C(=O)[O-])CCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1 ZINC000828024565 601950926 /nfs/dbraw/zinc/95/09/26/601950926.db2.gz RYNANIFNJYOULC-OAHLLOKOSA-N -1 1 323.324 0.383 20 50 DCGDMM CCCNC(=O)NNC(=O)c1sc(NC(=O)[O-])nc1C ZINC000833855776 605968939 /nfs/dbraw/zinc/96/89/39/605968939.db2.gz NIEWGZPEEZOLCE-UHFFFAOYSA-N -1 1 301.328 0.895 20 50 DCGDMM COCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821691148 945818711 /nfs/dbraw/zinc/81/87/11/945818711.db2.gz KPSPOJLDJGWXBO-VURMDHGXSA-N -1 1 304.335 0.598 20 50 DCGDMM Cc1nnc(SCCC(=O)NN=c2[nH]cccc2C(=O)[O-])[nH]1 ZINC001594495139 959743452 /nfs/dbraw/zinc/74/34/52/959743452.db2.gz XTDWRCKZFYENKN-UHFFFAOYSA-N -1 1 322.350 0.832 20 50 DCGDMM O=C([O-])[C@@]1(C(=O)NN=c2[nH]ccnc2C2CCC2)CCCO1 ZINC001574633528 962313990 /nfs/dbraw/zinc/31/39/90/962313990.db2.gz UYQQHPIVCCYBHN-AWEZNQCLSA-N -1 1 306.322 0.821 20 50 DCGDMM Cc1cccc(C(=O)NNC(=O)CN(C)C[C@@H](C)C(=O)[O-])c1 ZINC000832962867 601009564 /nfs/dbraw/zinc/00/95/64/601009564.db2.gz CSHYKLRZVOZVHL-LLVKDONJSA-N -1 1 307.350 0.409 20 50 DCGDMM Cc1cccc(C(=O)NNC(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000832963567 601511103 /nfs/dbraw/zinc/51/11/03/601511103.db2.gz YNPOXJJUNKBBKM-DGCLKSJQSA-N -1 1 319.361 0.409 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)[N@@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000826753943 604745408 /nfs/dbraw/zinc/74/54/08/604745408.db2.gz HOTSCFMMWBGWGG-QWRGUYRKSA-N -1 1 313.398 0.754 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000826753943 604745410 /nfs/dbraw/zinc/74/54/10/604745410.db2.gz HOTSCFMMWBGWGG-QWRGUYRKSA-N -1 1 313.398 0.754 20 50 DCGDMM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)nc1)NC1CCCC1 ZINC000738137705 945245982 /nfs/dbraw/zinc/24/59/82/945245982.db2.gz YFTKFDIUOQCRRQ-UHFFFAOYSA-N -1 1 316.325 0.148 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CCCCCO)o1 ZINC001574424070 948839576 /nfs/dbraw/zinc/83/95/76/948839576.db2.gz DIMYNXYKGWXHGF-UHFFFAOYSA-N -1 1 323.357 0.974 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001603003127 972052962 /nfs/dbraw/zinc/05/29/62/972052962.db2.gz XUHJOBCAKJZQOM-SRVKXCTJSA-N -1 1 313.398 0.611 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)NCCC(C)(C)C(=O)[O-] ZINC000818624814 955412627 /nfs/dbraw/zinc/41/26/27/955412627.db2.gz RUVAPAVBIYFKQT-UHFFFAOYSA-N -1 1 314.367 0.896 20 50 DCGDMM CN(NC(=O)Nc1ccc(C(=O)[O-])cc1)C(=O)N1CCNCC1 ZINC001598541002 992900265 /nfs/dbraw/zinc/90/02/65/992900265.db2.gz KBKFNPUIPPNFPV-UHFFFAOYSA-N -1 1 321.337 0.378 20 50 DCGDMM COc1cccc(NNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)n1 ZINC001599679709 994959601 /nfs/dbraw/zinc/95/96/01/994959601.db2.gz CSJUIPMUVAVODS-VHSXEESVSA-N -1 1 309.322 0.803 20 50 DCGDMM O=C([O-])N1CCO[C@H](C(=O)NNc2ccnc3ccccc32)C1 ZINC000831743016 605300711 /nfs/dbraw/zinc/30/07/11/605300711.db2.gz ZJUUTHKKGMSBQO-ZDUSSCGKSA-N -1 1 316.317 0.479 20 50 DCGDMM Cc1ccc(C(=O)N[N-]C(=O)c2sccc2-c2nn[nH]n2)o1 ZINC000822226406 946004683 /nfs/dbraw/zinc/00/46/83/946004683.db2.gz QYEGVYSGCMJYOZ-UHFFFAOYSA-N -1 1 318.318 0.904 20 50 DCGDMM C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000315007753 963843017 /nfs/dbraw/zinc/84/30/17/963843017.db2.gz JCGVPACMECGVJN-ZYHUDNBSSA-N -1 1 305.334 0.100 20 50 DCGDMM CC(C)(NCC(=O)NNC(=O)c1ccccc1Cl)C(=O)[O-] ZINC000826630852 600991253 /nfs/dbraw/zinc/99/12/53/600991253.db2.gz WKPLPWOVVCMSJA-UHFFFAOYSA-N -1 1 313.741 0.554 20 50 DCGDMM C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc(C(=O)[O-])[nH]1 ZINC000827461386 601336367 /nfs/dbraw/zinc/33/63/67/601336367.db2.gz VTRHXBBXGPWFFY-JTQLQIEISA-N -1 1 308.338 0.131 20 50 DCGDMM O=C([O-])NCCNC(=O)NN=Cc1cc(-c2cccnc2)n[nH]1 ZINC000832652727 603631950 /nfs/dbraw/zinc/63/19/50/603631950.db2.gz KKNBMAVIFTZSJB-UHFFFAOYSA-N -1 1 317.309 0.372 20 50 DCGDMM O=C([O-])N1CC(CC(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)C1 ZINC000831366340 604007701 /nfs/dbraw/zinc/00/77/01/604007701.db2.gz HOODDYGMZKUBMV-UHFFFAOYSA-N -1 1 317.305 0.778 20 50 DCGDMM CCOC(=O)c1cnc(=NNC(=O)CN(C)C(=O)[O-])[nH]c1C ZINC000833861935 605441945 /nfs/dbraw/zinc/44/19/45/605441945.db2.gz WIIXALMHNMMWTQ-UHFFFAOYSA-N -1 1 311.298 0.015 20 50 DCGDMM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)[C@H](C)CN1CCOCC1 ZINC000833801816 605625088 /nfs/dbraw/zinc/62/50/88/605625088.db2.gz MGFUAKDZNGCMHG-GHMZBOCLSA-N -1 1 314.386 0.493 20 50 DCGDMM CCCCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736461051 944827802 /nfs/dbraw/zinc/82/78/02/944827802.db2.gz MWADQNKDAVMBPB-UHFFFAOYSA-N -1 1 304.314 0.006 20 50 DCGDMM O=C(CN1CCCC1=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822996292 946253902 /nfs/dbraw/zinc/25/39/02/946253902.db2.gz BOBHVVMCPCYCDH-UHFFFAOYSA-N -1 1 319.350 0.001 20 50 DCGDMM O=C([O-])CSCC(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000819539592 955450965 /nfs/dbraw/zinc/45/09/65/955450965.db2.gz AJMLTCLLXBXTPC-UHFFFAOYSA-N -1 1 308.319 0.596 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(C)(C(=O)[O-])CC1 ZINC001588843169 961837723 /nfs/dbraw/zinc/83/77/23/961837723.db2.gz CJTFIPVIFKOZAL-LLVKDONJSA-N -1 1 313.398 0.755 20 50 DCGDMM O=C([O-])[C@@H]1CC[C@H](C(=O)NNc2ccnc3cccnc32)C1 ZINC001605820747 972547819 /nfs/dbraw/zinc/54/78/19/972547819.db2.gz BVQCHJFQNGYHKC-VHSXEESVSA-N -1 1 300.318 0.996 20 50 DCGDMM CCOC(=O)c1cnc(=NNC(=O)[C@H](CC)C(=O)[O-])[nH]c1C ZINC001596739780 985038986 /nfs/dbraw/zinc/03/89/86/985038986.db2.gz KBVRNJUKUMVNQN-QMMMGPOBSA-N -1 1 310.310 0.516 20 50 DCGDMM CC(C)(C)C(=O)NNC(=O)CN[C@H](C(=O)[O-])C1CCCCC1 ZINC001589693308 987765034 /nfs/dbraw/zinc/76/50/34/987765034.db2.gz GCCDZHUAEWJSRH-LBPRGKRZSA-N -1 1 313.398 0.803 20 50 DCGDMM Cc1cccc(C(=O)NNC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000832963568 601511366 /nfs/dbraw/zinc/51/13/66/601511366.db2.gz YNPOXJJUNKBBKM-WCQYABFASA-N -1 1 319.361 0.409 20 50 DCGDMM Cc1ccc(C(=O)NNC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000832911376 601938883 /nfs/dbraw/zinc/93/88/83/601938883.db2.gz DCDLCCYWNLPIJV-MRXNPFEDSA-N -1 1 319.361 0.553 20 50 DCGDMM O=C([O-])NCCCC(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000832608559 604005334 /nfs/dbraw/zinc/00/53/34/604005334.db2.gz IPDGIINCZXLWNC-UHFFFAOYSA-N -1 1 305.294 0.826 20 50 DCGDMM O=C([O-])NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000834203159 605449216 /nfs/dbraw/zinc/44/92/16/605449216.db2.gz JLMKADVFBUNQEW-UHFFFAOYSA-N -1 1 316.657 0.277 20 50 DCGDMM CN1CCC[C@@H]1C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826034680 608627390 /nfs/dbraw/zinc/62/73/90/608627390.db2.gz VTGNYFXCABPFAL-MRVPVSSYSA-N -1 1 322.760 0.452 20 50 DCGDMM Cc1cc(C)[nH]c(=NNC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000737256203 945021770 /nfs/dbraw/zinc/02/17/70/945021770.db2.gz HZDPXTYZZDZQHF-UHFFFAOYSA-N -1 1 311.309 0.425 20 50 DCGDMM Cc1cc(C)[nH]c(=NNC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000737256203 945021778 /nfs/dbraw/zinc/02/17/78/945021778.db2.gz HZDPXTYZZDZQHF-UHFFFAOYSA-N -1 1 311.309 0.425 20 50 DCGDMM O=C([O-])C1=NO[C@@H](C(=O)NNc2cc(C(F)(F)F)ccn2)C1 ZINC001594888852 954494363 /nfs/dbraw/zinc/49/43/63/954494363.db2.gz HFXDYVTWGLEQIA-SSDOTTSWSA-N -1 1 318.211 0.773 20 50 DCGDMM CC(C)N(CCC(=O)[O-])CC(=O)NNC(=O)c1ccccc1 ZINC000315578927 963917092 /nfs/dbraw/zinc/91/70/92/963917092.db2.gz MJHKTMXYUQVKIM-UHFFFAOYSA-N -1 1 307.350 0.633 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000848593042 969269008 /nfs/dbraw/zinc/26/90/08/969269008.db2.gz WDXOFNBQRZNQGY-QMMMGPOBSA-N -1 1 314.367 0.752 20 50 DCGDMM CC(C)C(=O)NNC(=O)CN[C@](C)(CC(=O)[O-])c1cccnc1 ZINC001590938894 990968705 /nfs/dbraw/zinc/96/87/05/990968705.db2.gz LNLVOIBNSBDUON-OAHLLOKOSA-N -1 1 322.365 0.165 20 50 DCGDMM CC(C)C(=O)NNC(=O)CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001590940289 990981796 /nfs/dbraw/zinc/98/17/96/990981796.db2.gz WJPXOMIPYPTEEQ-WOPDTQHZSA-N -1 1 311.382 0.365 20 50 DCGDMM C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC000828441652 601532956 /nfs/dbraw/zinc/53/29/56/601532956.db2.gz RMRITOYKGFHAJW-SKDRFNHKSA-N -1 1 323.324 0.239 20 50 DCGDMM C[C@@H](C(=O)[O-])[C@H](NCC(=O)NNC(=O)C1CC1)c1ccccc1 ZINC000826054431 601651487 /nfs/dbraw/zinc/65/14/87/601651487.db2.gz MXBZLKHAPWUSJU-YGRLFVJLSA-N -1 1 319.361 0.595 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CCCO2)o1 ZINC000824359324 607889149 /nfs/dbraw/zinc/88/91/49/607889149.db2.gz VNRAVVZCHVXYLG-SSDOTTSWSA-N -1 1 307.314 0.600 20 50 DCGDMM COCCCNC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC000826156789 608094898 /nfs/dbraw/zinc/09/48/98/608094898.db2.gz TWGHETIMIXOUGY-UHFFFAOYSA-N -1 1 323.382 0.988 20 50 DCGDMM CCOCCCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821378808 945685561 /nfs/dbraw/zinc/68/55/61/945685561.db2.gz ULUSIBFWULZCGN-NTMALXAHSA-N -1 1 316.321 0.909 20 50 DCGDMM CCOCCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821378808 945685567 /nfs/dbraw/zinc/68/55/67/945685567.db2.gz ULUSIBFWULZCGN-NTMALXAHSA-N -1 1 316.321 0.909 20 50 DCGDMM COCCCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821687603 945813671 /nfs/dbraw/zinc/81/36/71/945813671.db2.gz HATSWMOGMIDKFJ-CLFYSBASSA-N -1 1 302.294 0.519 20 50 DCGDMM COCCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821687603 945813681 /nfs/dbraw/zinc/81/36/81/945813681.db2.gz HATSWMOGMIDKFJ-CLFYSBASSA-N -1 1 302.294 0.519 20 50 DCGDMM C[C@H](C(=O)NN=c1ccc(-c2nn[n-]n2)c[nH]1)c1cnccn1 ZINC001573730098 948577330 /nfs/dbraw/zinc/57/73/30/948577330.db2.gz MUYOOAGSOLQYLI-QMMMGPOBSA-N -1 1 311.309 0.299 20 50 DCGDMM CC(C)C(=O)NNC(=O)CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001590940280 990981732 /nfs/dbraw/zinc/98/17/32/990981732.db2.gz WJPXOMIPYPTEEQ-GRYCIOLGSA-N -1 1 311.382 0.365 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)[N@@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000826753944 604745448 /nfs/dbraw/zinc/74/54/48/604745448.db2.gz HOTSCFMMWBGWGG-WDEREUQCSA-N -1 1 313.398 0.754 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000826753944 604745449 /nfs/dbraw/zinc/74/54/49/604745449.db2.gz HOTSCFMMWBGWGG-WDEREUQCSA-N -1 1 313.398 0.754 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C[C@H]2CCOC2)o1 ZINC000735939353 944721716 /nfs/dbraw/zinc/72/17/16/944721716.db2.gz NMSBTPFWLNZUHC-MRVPVSSYSA-N -1 1 321.341 0.848 20 50 DCGDMM COCCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821687548 945814345 /nfs/dbraw/zinc/81/43/45/945814345.db2.gz DWXHOVJWEKWEPR-VQHVLOKHSA-N -1 1 318.362 0.988 20 50 DCGDMM C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000323669558 951049889 /nfs/dbraw/zinc/04/98/89/951049889.db2.gz NRERNWQHRRPTJZ-YPMHNXCESA-N -1 1 319.361 0.490 20 50 DCGDMM CC[C@H](C)[C@H](NCC(=O)NNC(=O)c1ccccc1)C(=O)[O-] ZINC000820459601 955472242 /nfs/dbraw/zinc/47/22/42/955472242.db2.gz IEOPQSZAOUPHLZ-GWCFXTLKSA-N -1 1 307.350 0.537 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001588843336 961843725 /nfs/dbraw/zinc/84/37/25/961843725.db2.gz MEJDHFYPGTVYRC-SRVKXCTJSA-N -1 1 313.398 0.754 20 50 DCGDMM CCC[C@](C)(NCC(=O)NNC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000736965968 978370245 /nfs/dbraw/zinc/37/02/45/978370245.db2.gz XYYCRMBGAMKRDB-INIZCTEOSA-N -1 1 321.377 0.989 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001591111644 991772098 /nfs/dbraw/zinc/77/20/98/991772098.db2.gz SHNUVEWCEUMRDQ-HFAKWTLXSA-N -1 1 311.382 0.508 20 50 DCGDMM Cc1cc(C)cc(NNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000826264396 607382004 /nfs/dbraw/zinc/38/20/04/607382004.db2.gz MWUIVMRAWGHVCX-UHFFFAOYSA-N -1 1 313.325 0.218 20 50 DCGDMM Cc1cccc(C(=O)NNC(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000832963566 601511423 /nfs/dbraw/zinc/51/14/23/601511423.db2.gz YNPOXJJUNKBBKM-AAEUAGOBSA-N -1 1 319.361 0.409 20 50 DCGDMM CN(C)c1nccc(NNC(=O)C2(CNC(=O)[O-])CCCC2)n1 ZINC000828081710 603800095 /nfs/dbraw/zinc/80/00/95/603800095.db2.gz ZZTXMEJXZWWMQU-UHFFFAOYSA-N -1 1 322.369 0.814 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cnco2)o1 ZINC000824358285 607980054 /nfs/dbraw/zinc/98/00/54/607980054.db2.gz FUYPYXRBOVHBGR-UHFFFAOYSA-N -1 1 304.270 0.723 20 50 DCGDMM O=C(NNc1ccnc(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826449155 609299754 /nfs/dbraw/zinc/29/97/54/609299754.db2.gz DUIQDAJCMVFELD-UHFFFAOYSA-N -1 1 300.257 0.553 20 50 DCGDMM O=C(NNc1ccnc(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826449155 609299755 /nfs/dbraw/zinc/29/97/55/609299755.db2.gz DUIQDAJCMVFELD-UHFFFAOYSA-N -1 1 300.257 0.553 20 50 DCGDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NNc2ccccn2)n1 ZINC000826357363 948112817 /nfs/dbraw/zinc/11/28/17/948112817.db2.gz BWOLEHQVZWJJQJ-UHFFFAOYSA-N -1 1 300.286 0.144 20 50 DCGDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NNc2ccccn2)n1 ZINC000826357363 948112821 /nfs/dbraw/zinc/11/28/21/948112821.db2.gz BWOLEHQVZWJJQJ-UHFFFAOYSA-N -1 1 300.286 0.144 20 50 DCGDMM C[C@@H](C(=O)NN=c1ccc(-c2nn[n-]n2)c[nH]1)c1cnccn1 ZINC001573730097 948577271 /nfs/dbraw/zinc/57/72/71/948577271.db2.gz MUYOOAGSOLQYLI-MRVPVSSYSA-N -1 1 311.309 0.299 20 50 DCGDMM O=C([O-])C[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1 ZINC000390455259 951380458 /nfs/dbraw/zinc/38/04/58/951380458.db2.gz CKFDDLSEVKSHLU-LBPRGKRZSA-N -1 1 319.361 0.634 20 50 DCGDMM O=C([O-])CCNC(=O)NNc1ccc(Br)cn1 ZINC000819492564 955447215 /nfs/dbraw/zinc/44/72/15/955447215.db2.gz MCPVVWFEVCUUTE-UHFFFAOYSA-N -1 1 303.116 0.945 20 50 DCGDMM O=C([O-])C[C@H]1CCCN1CC(=O)NNC(=O)c1ccccc1 ZINC000315016137 963844540 /nfs/dbraw/zinc/84/45/40/963844540.db2.gz STXNRGQTTQQFJS-GFCCVEGCSA-N -1 1 305.334 0.387 20 50 DCGDMM O=C([O-])N1CC[C@@H](C(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)C1 ZINC000831742997 604005687 /nfs/dbraw/zinc/00/56/87/604005687.db2.gz YTDAFXDRKSJYDU-MRVPVSSYSA-N -1 1 317.305 0.778 20 50 DCGDMM Cc1noc(C(C)C)c1C(=O)NNC(=O)CCCNC(=O)[O-] ZINC000833926892 605974554 /nfs/dbraw/zinc/97/45/54/605974554.db2.gz HVOFGFQDBBYOCY-UHFFFAOYSA-N -1 1 312.326 0.915 20 50 DCGDMM O=C([O-])Cn1cc(C(=O)NNc2ccnc3ccccc32)nn1 ZINC001595143724 952103430 /nfs/dbraw/zinc/10/34/30/952103430.db2.gz RVUKLWRAHONPPL-UHFFFAOYSA-N -1 1 312.289 0.090 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000817858613 955368659 /nfs/dbraw/zinc/36/86/59/955368659.db2.gz LJIVLPWQHCOQQF-RYUDHWBXSA-N -1 1 313.398 0.755 20 50 DCGDMM COc1cccc(NNC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)n1 ZINC001594131595 958679538 /nfs/dbraw/zinc/67/95/38/958679538.db2.gz FJQCEWJZJRBSAW-UWVGGRQHSA-N -1 1 309.322 0.803 20 50 DCGDMM Cc1cc(CC(=O)NNC(=O)c2cccc(C(=O)[O-])c2)[nH]n1 ZINC001605164565 972860002 /nfs/dbraw/zinc/86/00/02/972860002.db2.gz XQOQBNPRKUKBJP-UHFFFAOYSA-N -1 1 302.290 0.420 20 50 DCGDMM Cc1ccc(F)c(NNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000826289564 607398475 /nfs/dbraw/zinc/39/84/75/607398475.db2.gz FWDXFHPZFZSUMJ-UHFFFAOYSA-N -1 1 317.288 0.049 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)c1ccnc(C(=O)[O-])c1 ZINC000833009732 601284745 /nfs/dbraw/zinc/28/47/45/601284745.db2.gz AAIMGEFOSMOHHM-UHFFFAOYSA-N -1 1 306.303 0.620 20 50 DCGDMM C[C@H](CC(=O)NNC(=O)c1ccc(Cl)cc1O)NC(=O)[O-] ZINC000824671671 603501192 /nfs/dbraw/zinc/50/11/92/603501192.db2.gz JKJDSSAIVIBXBN-ZCFIWIBFSA-N -1 1 315.713 0.853 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)CC1(NC(=O)[O-])CCC1 ZINC000830834857 604155335 /nfs/dbraw/zinc/15/53/35/604155335.db2.gz QLRLEGNZXXWMFN-UHFFFAOYSA-N -1 1 312.351 0.793 20 50 DCGDMM O=C([O-])N(CC(=O)NN=c1ncc(F)c[nH]1)C[C@@H]1CCCO1 ZINC000834005775 605612899 /nfs/dbraw/zinc/61/28/99/605612899.db2.gz GSWSGVAVAHKLDZ-VIFPVBQESA-N -1 1 313.289 0.218 20 50 DCGDMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NN=c1ncc(F)c[nH]1 ZINC000834150107 605692362 /nfs/dbraw/zinc/69/23/62/605692362.db2.gz LSBITUSQGREWCR-NSHDSACASA-N -1 1 319.296 0.938 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)NC[C@@H](C)CNC(=O)[O-] ZINC000833917433 605793106 /nfs/dbraw/zinc/79/31/06/605793106.db2.gz HNRSMKWBMOVRBJ-ZCFIWIBFSA-N -1 1 315.355 0.299 20 50 DCGDMM CC(=NNC(=O)c1cnccn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953776 608094342 /nfs/dbraw/zinc/09/43/42/608094342.db2.gz QAHSQRVCNYYITH-UHFFFAOYSA-N -1 1 314.334 0.872 20 50 DCGDMM COC[C@@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736966981 944921335 /nfs/dbraw/zinc/92/13/35/944921335.db2.gz DIEGPJNYSOTXEC-SSDOTTSWSA-N -1 1 309.330 0.704 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CC[C@H](C)O2)o1 ZINC000820675711 945518962 /nfs/dbraw/zinc/51/89/62/945518962.db2.gz KIZHOSPWBOYPDC-YUMQZZPRSA-N -1 1 321.341 0.989 20 50 DCGDMM COc1cccc(=NNC(=O)NCC2(C(=O)[O-])CCOCC2)[nH]1 ZINC001594131738 958681256 /nfs/dbraw/zinc/68/12/56/958681256.db2.gz IKNXBTHLMPAAFU-UHFFFAOYSA-N -1 1 324.337 0.598 20 50 DCGDMM CCC[C@@](C)(NCC(=O)NNC(=O)c1ccccc1)C(=O)[O-] ZINC000314413351 963750719 /nfs/dbraw/zinc/75/07/19/963750719.db2.gz ZIRSFGYQAXNUBY-OAHLLOKOSA-N -1 1 307.350 0.681 20 50 DCGDMM Cc1cc(Br)c[nH]c1=NNC(=O)COCC(=O)[O-] ZINC001605102023 972756586 /nfs/dbraw/zinc/75/65/86/972756586.db2.gz LQCHZAAVAHJSNT-UHFFFAOYSA-N -1 1 318.127 0.697 20 50 DCGDMM Cc1ccc(C(=O)NNC(=O)CN(C)C[C@H](C)C(=O)[O-])cc1 ZINC000738513335 978550647 /nfs/dbraw/zinc/55/06/47/978550647.db2.gz JWGUGQSTQXDBCI-NSHDSACASA-N -1 1 307.350 0.409 20 50 DCGDMM Cc1ccc(C(=O)NNC(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000832912118 601522963 /nfs/dbraw/zinc/52/29/63/601522963.db2.gz VEAIKMTZFGRBAD-DGCLKSJQSA-N -1 1 319.361 0.409 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H](C(=O)[O-])C(C)(C)C ZINC000826753822 602224161 /nfs/dbraw/zinc/22/41/61/602224161.db2.gz GBYWHRKJAGNZKT-GXSJLCMTSA-N -1 1 301.387 0.657 20 50 DCGDMM O=C([O-])N1CC(C(=O)NNC(=O)c2cc3ccccc3o2)C1 ZINC000834044811 605561468 /nfs/dbraw/zinc/56/14/68/605561468.db2.gz JHDSOWIZCSPTHK-UHFFFAOYSA-N -1 1 303.274 0.804 20 50 DCGDMM COC[C@H](C)OC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821683265 945806698 /nfs/dbraw/zinc/80/66/98/945806698.db2.gz ZUJNMHJPQSKNRY-HXOPTJOXSA-N -1 1 303.278 0.945 20 50 DCGDMM COC[C@H](C)OC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821683265 945806712 /nfs/dbraw/zinc/80/67/12/945806712.db2.gz ZUJNMHJPQSKNRY-HXOPTJOXSA-N -1 1 303.278 0.945 20 50 DCGDMM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1O ZINC001594228143 959449083 /nfs/dbraw/zinc/44/90/83/959449083.db2.gz KYYUMFGLOGCHDR-UANNBLPKSA-N -1 1 312.709 0.917 20 50 DCGDMM C[C@@]1(C(=O)[O-])CCN(CC(=O)NNC(=O)c2ccccc2)C1 ZINC000315832245 963940218 /nfs/dbraw/zinc/94/02/18/963940218.db2.gz DNKFXVMSFYCETH-OAHLLOKOSA-N -1 1 305.334 0.244 20 50 DCGDMM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001606528442 974032848 /nfs/dbraw/zinc/03/28/48/974032848.db2.gz HHSZVUWDMUJRRR-ZETCQYMHSA-N -1 1 302.294 0.461 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)c1ccc(C(=O)[O-])nc1 ZINC000738892694 978607679 /nfs/dbraw/zinc/60/76/79/978607679.db2.gz NYTVJNLBGNWNKK-UHFFFAOYSA-N -1 1 306.303 0.620 20 50 DCGDMM CCC(=O)NNC(=O)[C@H](C)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001594712277 987174890 /nfs/dbraw/zinc/17/48/90/987174890.db2.gz DWOWVAXHFJHTIU-JQWIXIFHSA-N -1 1 307.350 0.218 20 50 DCGDMM O=C([O-])N1CCO[C@@H](C(=O)NNc2ccnc3ccccc32)C1 ZINC000831743015 605300584 /nfs/dbraw/zinc/30/05/84/605300584.db2.gz ZJUUTHKKGMSBQO-CYBMUJFWSA-N -1 1 316.317 0.479 20 50 DCGDMM O=C([O-])N1CCSC[C@H]1CC(=O)NN=c1ncc(F)c[nH]1 ZINC000833988450 605609833 /nfs/dbraw/zinc/60/98/33/605609833.db2.gz OTYCJVOJROINHY-MRVPVSSYSA-N -1 1 315.330 0.544 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CCCOC2)o1 ZINC000735939137 944719731 /nfs/dbraw/zinc/71/97/31/944719731.db2.gz KDRQVRZMFWSCRY-MRVPVSSYSA-N -1 1 321.341 0.848 20 50 DCGDMM Cc1cc(C)n(CC(=O)NN=Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC000822197582 945983526 /nfs/dbraw/zinc/98/35/26/945983526.db2.gz GWTXXHUHTAIMAH-UHFFFAOYSA-N -1 1 314.309 0.423 20 50 DCGDMM Cc1cc(C)n(CC(=O)NN=Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC000822197582 945983534 /nfs/dbraw/zinc/98/35/34/945983534.db2.gz GWTXXHUHTAIMAH-UHFFFAOYSA-N -1 1 314.309 0.423 20 50 DCGDMM COc1cccc(NNC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)n1 ZINC001594131597 958679374 /nfs/dbraw/zinc/67/93/74/958679374.db2.gz FJQCEWJZJRBSAW-ZJUUUORDSA-N -1 1 309.322 0.803 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001588844295 961852509 /nfs/dbraw/zinc/85/25/09/961852509.db2.gz YRXBDFOGUKLYBE-SDDRHHMPSA-N -1 1 313.398 0.611 20 50 DCGDMM CC(C)c1nccnc1NNC(=O)c1cnc(C(=O)[O-])cn1 ZINC001588975839 962696459 /nfs/dbraw/zinc/69/64/59/962696459.db2.gz FHBFVRFHSJRXQW-UHFFFAOYSA-N -1 1 302.294 0.845 20 50 DCGDMM CCC[C@](C)(NCC(=O)NNC(=O)c1ccccc1)C(=O)[O-] ZINC000314413350 963750752 /nfs/dbraw/zinc/75/07/52/963750752.db2.gz ZIRSFGYQAXNUBY-HNNXBMFYSA-N -1 1 307.350 0.681 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCC[C@H]1CC(=O)[O-] ZINC000736402713 978330916 /nfs/dbraw/zinc/33/09/16/978330916.db2.gz XZOQISNIBLEGCH-RYUDHWBXSA-N -1 1 313.398 0.898 20 50 DCGDMM CCC[C@@](C)(N[C@@H](C)C(=O)NNC(=O)CC(C)C)C(=O)[O-] ZINC000736959147 978370185 /nfs/dbraw/zinc/37/01/85/978370185.db2.gz CZMGJXTWBIOJPB-IINYFYTJSA-N -1 1 301.387 0.801 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000826753823 978948759 /nfs/dbraw/zinc/94/87/59/978948759.db2.gz GBYWHRKJAGNZKT-KOLCDFICSA-N -1 1 301.387 0.657 20 50 DCGDMM C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001594584756 986467507 /nfs/dbraw/zinc/46/75/07/986467507.db2.gz MHKWQUAUGGSEEN-BXKDBHETSA-N -1 1 322.340 0.355 20 50 DCGDMM Cc1cccc(C(=O)NNC(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000832963569 601511032 /nfs/dbraw/zinc/51/10/32/601511032.db2.gz YNPOXJJUNKBBKM-YPMHNXCESA-N -1 1 319.361 0.409 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000830835135 603574581 /nfs/dbraw/zinc/57/45/81/603574581.db2.gz WZVQFJBSHSJHTG-YUMQZZPRSA-N -1 1 312.351 0.649 20 50 DCGDMM CN(C)c1nccc(NNC(=O)CN(CC2CC2)C(=O)[O-])n1 ZINC000828081584 603655490 /nfs/dbraw/zinc/65/54/90/603655490.db2.gz WRAKZRPCZDWJDS-UHFFFAOYSA-N -1 1 308.342 0.376 20 50 DCGDMM CC(C)(NC(=O)[O-])C(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1 ZINC000824025628 604003485 /nfs/dbraw/zinc/00/34/85/604003485.db2.gz UHOZASWGVBXTRG-UHFFFAOYSA-N -1 1 305.294 0.825 20 50 DCGDMM C[C@@H](CC(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1)NC(=O)[O-] ZINC000824678571 604003799 /nfs/dbraw/zinc/00/37/99/604003799.db2.gz BYVHRGUMQNTFAG-ZETCQYMHSA-N -1 1 305.294 0.825 20 50 DCGDMM O=C([O-])N1CC(NC(=O)NNC(=O)c2cc3ccccc3o2)C1 ZINC000831742532 604615791 /nfs/dbraw/zinc/61/57/91/604615791.db2.gz JKHSQRSHLDRREW-UHFFFAOYSA-N -1 1 318.289 0.739 20 50 DCGDMM O=C([O-])NCC(=O)NNC(=O)c1cnc(-c2ccncc2)s1 ZINC000834203384 605467783 /nfs/dbraw/zinc/46/77/83/605467783.db2.gz SIAUPFUDYXCYHO-UHFFFAOYSA-N -1 1 321.318 0.234 20 50 DCGDMM CCOCCC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736611583 944856197 /nfs/dbraw/zinc/85/61/97/944856197.db2.gz SYMBUGONVYSBKX-UHFFFAOYSA-N -1 1 309.330 0.848 20 50 DCGDMM Cc1cc(NNC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)nc(C)n1 ZINC001574343047 960944334 /nfs/dbraw/zinc/94/43/34/960944334.db2.gz AIEDWTNALQOXHH-QWRGUYRKSA-N -1 1 308.338 0.806 20 50 DCGDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1ccccc1Cl ZINC000826425383 607382204 /nfs/dbraw/zinc/38/22/04/607382204.db2.gz AVTCAQZNQCMYHV-UHFFFAOYSA-N -1 1 319.716 0.255 20 50 DCGDMM Cc1cccc(C(=O)NNC(=O)CN(C)C[C@H](C)C(=O)[O-])c1 ZINC000832962868 601011545 /nfs/dbraw/zinc/01/15/45/601011545.db2.gz CSHYKLRZVOZVHL-NSHDSACASA-N -1 1 307.350 0.409 20 50 DCGDMM O=C([O-])NCC(=O)NNC(=O)c1ncoc1-c1ccccc1 ZINC000834203148 605457677 /nfs/dbraw/zinc/45/76/77/605457677.db2.gz MBTWXBDGKWVNBL-UHFFFAOYSA-N -1 1 304.262 0.370 20 50 DCGDMM CCO/C=C(/C#N)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825583054 607999340 /nfs/dbraw/zinc/99/93/40/607999340.db2.gz QUOULMIEXOPXEH-CLFYSBASSA-N -1 1 300.278 0.955 20 50 DCGDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NNc2ccc(F)cc2)n1 ZINC000826357038 608814892 /nfs/dbraw/zinc/81/48/92/608814892.db2.gz OWJNYEWJZSROQU-UHFFFAOYSA-N -1 1 317.288 0.888 20 50 DCGDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NNc2ccc(F)cc2)n1 ZINC000826357038 608814895 /nfs/dbraw/zinc/81/48/95/608814895.db2.gz OWJNYEWJZSROQU-UHFFFAOYSA-N -1 1 317.288 0.888 20 50 DCGDMM Cc1nonc1C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000737546436 945093927 /nfs/dbraw/zinc/09/39/27/945093927.db2.gz CHFPKXPPEOASFA-UHFFFAOYSA-N -1 1 319.285 0.426 20 50 DCGDMM CCOC(=O)c1cnc(=NNC(=O)CCCC(=O)[O-])[nH]c1C ZINC001591269093 951105721 /nfs/dbraw/zinc/10/57/21/951105721.db2.gz ROBWBNQTUXGEFU-UHFFFAOYSA-N -1 1 310.310 0.660 20 50 DCGDMM Nc1cnnc(NNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1Cl ZINC001594666816 956583753 /nfs/dbraw/zinc/58/37/53/956583753.db2.gz YQECIPUAWDXSFX-URHBZAFASA-N -1 1 300.706 0.202 20 50 DCGDMM C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc(C(=O)[O-])cc1 ZINC000916363076 969644687 /nfs/dbraw/zinc/64/46/87/969644687.db2.gz QEHYZFUNMHQAQV-GFCCVEGCSA-N -1 1 319.361 0.803 20 50 DCGDMM CCC[C@](C)(N[C@@H](C)C(=O)NNC(=O)CC(C)C)C(=O)[O-] ZINC000736959146 978369267 /nfs/dbraw/zinc/36/92/67/978369267.db2.gz CZMGJXTWBIOJPB-HZMBPMFUSA-N -1 1 301.387 0.801 20 50 DCGDMM CCC[C@@](C)(N[C@H](C)C(=O)NNC(=O)CC(C)C)C(=O)[O-] ZINC000736959148 978370158 /nfs/dbraw/zinc/37/01/58/978370158.db2.gz CZMGJXTWBIOJPB-QMTHXVAHSA-N -1 1 301.387 0.801 20 50 DCGDMM Cc1cc(CC(=O)NN=Cc2cc(C(=O)[O-])ccc2O)[nH]n1 ZINC000738378839 978529946 /nfs/dbraw/zinc/52/99/46/978529946.db2.gz KOGVYOAHTZOKJK-UHFFFAOYSA-N -1 1 302.290 0.815 20 50 DCGDMM C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001594584757 986467195 /nfs/dbraw/zinc/46/71/95/986467195.db2.gz MHKWQUAUGGSEEN-CABZTGNLSA-N -1 1 322.340 0.355 20 50 DCGDMM O=C([O-])NCCNC(=O)NN=Cc1cccc(Cl)c1O ZINC000832652627 603878441 /nfs/dbraw/zinc/87/84/41/603878441.db2.gz HZWDGXDNBXEKIV-UHFFFAOYSA-N -1 1 300.702 0.946 20 50 DCGDMM O=C([O-])NCCNC(=O)NNC(=O)c1cc(F)c(F)cc1F ZINC000834243368 605650424 /nfs/dbraw/zinc/65/04/24/605650424.db2.gz LLPSFZKTTLIGHO-UHFFFAOYSA-N -1 1 320.227 0.316 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CCO[C@H]2C)o1 ZINC000824352598 608157849 /nfs/dbraw/zinc/15/78/49/608157849.db2.gz JWGVHWNNXMLTEC-JGVFFNPUSA-N -1 1 321.341 0.846 20 50 DCGDMM O=C(NN=c1[nH]c2ccccc2[nH]1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826450105 608549262 /nfs/dbraw/zinc/54/92/62/608549262.db2.gz XFMBFWQAQLHNGH-UHFFFAOYSA-N -1 1 321.304 0.895 20 50 DCGDMM O=C(NN=c1[nH]c2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826450105 608549264 /nfs/dbraw/zinc/54/92/64/608549264.db2.gz XFMBFWQAQLHNGH-UHFFFAOYSA-N -1 1 321.304 0.895 20 50 DCGDMM CC(C)(C)C(=O)C(=O)NN=c1cc(-c2nn[n-]n2)cc(Cl)[nH]1 ZINC000824064390 608626146 /nfs/dbraw/zinc/62/61/46/608626146.db2.gz GGCAWSCFCUGABD-UHFFFAOYSA-N -1 1 323.744 0.973 20 50 DCGDMM CC[C@]1(C(=O)[O-])CCCN(CC(=O)NNC(=O)C(C)(C)C)C1 ZINC001589605084 949239393 /nfs/dbraw/zinc/23/93/93/949239393.db2.gz JPFNOXUCKRRLCN-HNNXBMFYSA-N -1 1 313.398 0.757 20 50 DCGDMM CC(C)(NCC(=O)NNC(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000736339677 955216707 /nfs/dbraw/zinc/21/67/07/955216707.db2.gz MNHYFGAMPZUVKE-UHFFFAOYSA-N -1 1 313.741 0.554 20 50 DCGDMM Cc1nnc(SCC(=O)NN=c2[nH]cccc2C(=O)[O-])[nH]1 ZINC001605388663 973365110 /nfs/dbraw/zinc/36/51/10/973365110.db2.gz ZTEOSSDQHSVBDO-UHFFFAOYSA-N -1 1 308.323 0.442 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCCC[C@H]1CC(=O)[O-] ZINC000736402711 978331097 /nfs/dbraw/zinc/33/10/97/978331097.db2.gz XZOQISNIBLEGCH-NEPJUHHUSA-N -1 1 313.398 0.898 20 50 DCGDMM CC(C)(C)C(=O)NNC(=O)CN[C@@H](C(=O)[O-])C1CCCCC1 ZINC001589693306 987765230 /nfs/dbraw/zinc/76/52/30/987765230.db2.gz GCCDZHUAEWJSRH-GFCCVEGCSA-N -1 1 313.398 0.803 20 50 DCGDMM Cc1ccc(C(=O)NNC(=O)CN2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000832911374 601939023 /nfs/dbraw/zinc/93/90/23/601939023.db2.gz DCDLCCYWNLPIJV-INIZCTEOSA-N -1 1 319.361 0.553 20 50 DCGDMM Cc1cc(CC(=O)NN=Cc2ccc(NC(=O)[O-])nc2)[nH]n1 ZINC000830030882 603486824 /nfs/dbraw/zinc/48/68/24/603486824.db2.gz QSOXPEHYWOFQRY-UHFFFAOYSA-N -1 1 302.294 0.896 20 50 DCGDMM Cc1cc(NNC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)nc(C)n1 ZINC000830123118 605350857 /nfs/dbraw/zinc/35/08/57/605350857.db2.gz RYCDAOSAXSMMHI-SNVBAGLBSA-N -1 1 309.326 0.305 20 50 DCGDMM O=C([O-])N1CCC2(C[C@H]2C(=O)NNc2ncc(F)cn2)CC1 ZINC000834046690 605970910 /nfs/dbraw/zinc/97/09/10/605970910.db2.gz BBSOHCIITRSKTJ-VIFPVBQESA-N -1 1 309.301 0.839 20 50 DCGDMM O=C([O-])N1CCC2(C[C@H]2C(=O)NN=c2ncc(F)c[nH]2)CC1 ZINC000834046690 605970913 /nfs/dbraw/zinc/97/09/13/605970913.db2.gz BBSOHCIITRSKTJ-VIFPVBQESA-N -1 1 309.301 0.839 20 50 DCGDMM O=C([O-])NCCCC(=O)NNC(=O)c1scnc1C1CC1 ZINC000834232366 605976693 /nfs/dbraw/zinc/97/66/93/605976693.db2.gz SVORTKVZWMGJNN-UHFFFAOYSA-N -1 1 312.351 0.829 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)[C@H](CC(F)F)NC(=O)[O-] ZINC000833918028 606037834 /nfs/dbraw/zinc/03/78/34/606037834.db2.gz MOWVXHWBAASJGB-YFKPBYRVSA-N -1 1 322.293 0.504 20 50 DCGDMM CC(=NNC(=O)[C@H]1COCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948739 608095037 /nfs/dbraw/zinc/09/50/37/608095037.db2.gz VTKIOHBQEUSZJX-MRVPVSSYSA-N -1 1 322.350 0.184 20 50 DCGDMM Cc1ccccc1CC(=O)NNC(=O)CN[C@H](C(=O)[O-])C(C)C ZINC001611203640 970934106 /nfs/dbraw/zinc/93/41/06/970934106.db2.gz NFWUSEBXJAKRKF-HNNXBMFYSA-N -1 1 321.377 0.384 20 50 DCGDMM CC(C)(C)CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735595079 944678882 /nfs/dbraw/zinc/67/88/82/944678882.db2.gz YCXKFRPEMHLBDJ-UHFFFAOYSA-N -1 1 303.326 0.459 20 50 DCGDMM CC(C)(C)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735595079 944678888 /nfs/dbraw/zinc/67/88/88/944678888.db2.gz YCXKFRPEMHLBDJ-UHFFFAOYSA-N -1 1 303.326 0.459 20 50 DCGDMM N#Cc1ccc(C(=O)NN=CC2=S=C(c3nn[n-]n3)C=C2)cc1 ZINC000822823465 946196660 /nfs/dbraw/zinc/19/66/60/946196660.db2.gz RHNLVZIYRLTZRO-UHFFFAOYSA-N -1 1 323.341 0.483 20 50 DCGDMM O=C([O-])Cc1ccccc1NC(=O)NNC(=O)c1ccn[nH]1 ZINC001606320739 973739882 /nfs/dbraw/zinc/73/98/82/973739882.db2.gz WFVNTASZGISRDS-UHFFFAOYSA-N -1 1 303.278 0.503 20 50 DCGDMM CCN1CCN(CC(=O)NNc2ccc(CC(=O)[O-])cc2)CC1 ZINC001596430043 984095079 /nfs/dbraw/zinc/09/50/79/984095079.db2.gz GXSZSKIEYIIOES-UHFFFAOYSA-N -1 1 320.393 0.394 20 50 DCGDMM CCN1CCN(CC(=O)NNc2cccc(C(=O)[O-])c2F)CC1 ZINC001596430456 984095940 /nfs/dbraw/zinc/09/59/40/984095940.db2.gz KQNABHZACBPCIA-UHFFFAOYSA-N -1 1 324.356 0.605 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C[C@@H](O)C(C)C)o1 ZINC000824358481 607557755 /nfs/dbraw/zinc/55/77/55/607557755.db2.gz LGGIOOABMUAJJW-MRVPVSSYSA-N -1 1 323.357 0.828 20 50 DCGDMM O=C([O-])N1CC(OCC(=O)NNc2ccnc3ccccc32)C1 ZINC000831537409 603472891 /nfs/dbraw/zinc/47/28/91/603472891.db2.gz BNCIVCSDBNQCND-UHFFFAOYSA-N -1 1 316.317 0.479 20 50 DCGDMM C[C@H](CN(CC(=O)NNC(=O)c1ccccc1)C1CC1)C(=O)[O-] ZINC000833516339 605239741 /nfs/dbraw/zinc/23/97/41/605239741.db2.gz JLRCCIXEEIKFCO-LLVKDONJSA-N -1 1 319.361 0.633 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CCO[C@@H]2C)o1 ZINC000824352597 608157881 /nfs/dbraw/zinc/15/78/81/608157881.db2.gz JWGVHWNNXMLTEC-HTQZYQBOSA-N -1 1 321.341 0.846 20 50 DCGDMM C[C@H](CN(C)CC(=O)NNC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000736570664 978343290 /nfs/dbraw/zinc/34/32/90/978343290.db2.gz DWBDSYYCTBWAOP-SECBINFHSA-N -1 1 311.313 0.239 20 50 DCGDMM C[C@H]1[C@H](C(=O)[O-])CCN1CC(=O)NNC(=O)c1ccc(F)cc1 ZINC001594166148 998624635 /nfs/dbraw/zinc/62/46/35/998624635.db2.gz OZPBBDZQGLPPDP-JOYOIKCWSA-N -1 1 323.324 0.382 20 50 DCGDMM N#Cc1ccc(NNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826386073 607349601 /nfs/dbraw/zinc/34/96/01/607349601.db2.gz NWAWEDNLRRKRRS-UHFFFAOYSA-N -1 1 306.289 0.890 20 50 DCGDMM N#Cc1ccc(NNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826386073 607349603 /nfs/dbraw/zinc/34/96/03/607349603.db2.gz NWAWEDNLRRKRRS-UHFFFAOYSA-N -1 1 306.289 0.890 20 50 DCGDMM CN(C)c1nccc(NNC(=O)[C@]2(C)CCN(C(=O)[O-])C2)n1 ZINC000828080397 604065566 /nfs/dbraw/zinc/06/55/66/604065566.db2.gz BGFJDUNACOMZBO-CYBMUJFWSA-N -1 1 308.342 0.376 20 50 DCGDMM COC(=O)CNC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC000826137993 609523501 /nfs/dbraw/zinc/52/35/01/609523501.db2.gz BNUXUCKAXRTPFA-UHFFFAOYSA-N -1 1 323.338 0.124 20 50 DCGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)[C@@H]1Cc2ccccc2O1 ZINC000823273425 946379751 /nfs/dbraw/zinc/37/97/51/946379751.db2.gz NBZZKVJDXHOLCG-ZDUSSCGKSA-N -1 1 324.300 0.914 20 50 DCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)[C@@H]1Cc2ccccc2O1 ZINC000823273425 946379764 /nfs/dbraw/zinc/37/97/64/946379764.db2.gz NBZZKVJDXHOLCG-ZDUSSCGKSA-N -1 1 324.300 0.914 20 50 DCGDMM O=C([O-])C[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1 ZINC000390455256 951381045 /nfs/dbraw/zinc/38/10/45/951381045.db2.gz CKFDDLSEVKSHLU-GFCCVEGCSA-N -1 1 319.361 0.634 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001588844299 961853912 /nfs/dbraw/zinc/85/39/12/961853912.db2.gz YRXBDFOGUKLYBE-WOPDTQHZSA-N -1 1 313.398 0.611 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)NC1(C(=O)[O-])CCCCC1 ZINC000736402735 978330987 /nfs/dbraw/zinc/33/09/87/978330987.db2.gz ZANUWIRBXGSWPH-LLVKDONJSA-N -1 1 313.398 0.946 20 50 DCGDMM C[C@@H]1[C@H](C(=O)[O-])CCN1CC(=O)NNC(=O)c1ccc(F)cc1 ZINC001594166146 998625274 /nfs/dbraw/zinc/62/52/74/998625274.db2.gz OZPBBDZQGLPPDP-BXKDBHETSA-N -1 1 323.324 0.382 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000830834840 602864879 /nfs/dbraw/zinc/86/48/79/602864879.db2.gz PXTMPMUFFVCJPY-QMMMGPOBSA-N -1 1 312.351 0.745 20 50 DCGDMM Cc1cccc(N2CCN(CCC(=O)NNC(=O)[O-])CC2)c1 ZINC000830512470 603628414 /nfs/dbraw/zinc/62/84/14/603628414.db2.gz ZZQCPBLOBVQXLO-UHFFFAOYSA-N -1 1 306.366 0.806 20 50 DCGDMM N#Cc1cccc(NNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826387502 607726518 /nfs/dbraw/zinc/72/65/18/607726518.db2.gz YPMRIIXCSNISIY-UHFFFAOYSA-N -1 1 306.289 0.890 20 50 DCGDMM N#Cc1cccc(NNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826387502 607726520 /nfs/dbraw/zinc/72/65/20/607726520.db2.gz YPMRIIXCSNISIY-UHFFFAOYSA-N -1 1 306.289 0.890 20 50 DCGDMM O=C([O-])NCC(=O)NNC(=O)c1sccc1OC(F)F ZINC000834203045 605467077 /nfs/dbraw/zinc/46/70/77/605467077.db2.gz KKPLLTJBRSBFPR-UHFFFAOYSA-N -1 1 309.250 0.378 20 50 DCGDMM O=C([O-])NCCCC(=O)NN=Cc1cc(-c2cccnc2)n[nH]1 ZINC000834228596 605799626 /nfs/dbraw/zinc/79/96/26/605799626.db2.gz LWAFPSJEZOUIKB-UHFFFAOYSA-N -1 1 316.321 0.970 20 50 DCGDMM CCO/C=C(\C#N)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825583140 607999351 /nfs/dbraw/zinc/99/93/51/607999351.db2.gz QUOULMIEXOPXEH-VQHVLOKHSA-N -1 1 300.278 0.955 20 50 DCGDMM CN1CCC[C@H]1C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826034681 608627189 /nfs/dbraw/zinc/62/71/89/608627189.db2.gz VTGNYFXCABPFAL-QMMMGPOBSA-N -1 1 322.760 0.452 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CCCCO2)o1 ZINC000820203635 945381139 /nfs/dbraw/zinc/38/11/39/945381139.db2.gz XACHJMAEQHOLSX-QMMMGPOBSA-N -1 1 321.341 0.990 20 50 DCGDMM COC[C@@H](C)NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821681490 945800754 /nfs/dbraw/zinc/80/07/54/945800754.db2.gz LZTSCFYUQCZCIB-CBVZUMJXSA-N -1 1 302.294 0.518 20 50 DCGDMM COC[C@@H](C)NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821681490 945800767 /nfs/dbraw/zinc/80/07/67/945800767.db2.gz LZTSCFYUQCZCIB-CBVZUMJXSA-N -1 1 302.294 0.518 20 50 DCGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)[C@H]1Cc2ccccc2O1 ZINC000823273424 946380872 /nfs/dbraw/zinc/38/08/72/946380872.db2.gz NBZZKVJDXHOLCG-CYBMUJFWSA-N -1 1 324.300 0.914 20 50 DCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)[C@H]1Cc2ccccc2O1 ZINC000823273424 946380875 /nfs/dbraw/zinc/38/08/75/946380875.db2.gz NBZZKVJDXHOLCG-CYBMUJFWSA-N -1 1 324.300 0.914 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2C[C@@H](O)C2)o1 ZINC001574423990 948836130 /nfs/dbraw/zinc/83/61/30/948836130.db2.gz AGOCQEUTNKKTHB-KNVOCYPGSA-N -1 1 307.314 0.192 20 50 DCGDMM Cc1cc(CC(=O)NNC(=O)C2(C(=O)[O-])CCCCC2)[nH]n1 ZINC001594300359 957899986 /nfs/dbraw/zinc/89/99/86/957899986.db2.gz HEHUGELUHBTGOD-UHFFFAOYSA-N -1 1 308.338 0.443 20 50 DCGDMM CN(CCCC(=O)[O-])CC(=O)NNC(=O)c1cccc(C#N)c1 ZINC001604161305 972574032 /nfs/dbraw/zinc/57/40/32/972574032.db2.gz BWIWNKJTYPDTAX-UHFFFAOYSA-N -1 1 318.333 0.116 20 50 DCGDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NNC(=O)C(C)(C)C ZINC001594519079 985941941 /nfs/dbraw/zinc/94/19/41/985941941.db2.gz JNEKDDDIAPXLLB-SNVBAGLBSA-N -1 1 314.386 0.254 20 50 DCGDMM CC(C)C(=O)NNC(=O)CN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001590940283 990981941 /nfs/dbraw/zinc/98/19/41/990981941.db2.gz WJPXOMIPYPTEEQ-SDDRHHMPSA-N -1 1 311.382 0.365 20 50 DCGDMM COc1ccc(=NNC(=O)Nc2cc(C(=O)[O-])nn2C)[nH]c1 ZINC001599597485 993767677 /nfs/dbraw/zinc/76/76/77/993767677.db2.gz VEQVNAIROFGTAC-UHFFFAOYSA-N -1 1 306.282 0.671 20 50 DCGDMM C[C@@H](CN1CCOCC1)C(=O)NN=Cc1c[nH]c(C(=O)[O-])c1 ZINC000827461061 601796794 /nfs/dbraw/zinc/79/67/94/601796794.db2.gz LOAWXCUYMJWPFB-JTQLQIEISA-N -1 1 308.338 0.131 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)[C@]1(C)CCCN1C(=O)[O-] ZINC000833918937 605697275 /nfs/dbraw/zinc/69/72/75/605697275.db2.gz WUSJBINYHNBCJD-LBPRGKRZSA-N -1 1 312.351 0.745 20 50 DCGDMM O=C([O-])c1ncsc1S(=O)(=O)NCC(Cl)Cl ZINC000309258405 963335766 /nfs/dbraw/zinc/33/57/66/963335766.db2.gz CVIZRUILVWKZEM-UHFFFAOYSA-N -1 1 305.164 0.923 20 50 DCGDMM COCCCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821687604 945814518 /nfs/dbraw/zinc/81/45/18/945814518.db2.gz HATSWMOGMIDKFJ-VQHVLOKHSA-N -1 1 302.294 0.519 20 50 DCGDMM COCCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821687604 945814527 /nfs/dbraw/zinc/81/45/27/945814527.db2.gz HATSWMOGMIDKFJ-VQHVLOKHSA-N -1 1 302.294 0.519 20 50 DCGDMM COCCO[C@@H](C)C(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821691675 945820516 /nfs/dbraw/zinc/82/05/16/945820516.db2.gz AFJSZSKBMAHAQL-QMMMGPOBSA-N -1 1 324.366 0.430 20 50 DCGDMM C[C@@H](CN1CCOCC1)C(=O)NN=C1CCC(C(=O)[O-])CC1 ZINC000820095595 955465944 /nfs/dbraw/zinc/46/59/44/955465944.db2.gz JIESZAROCLUTFZ-PXYINDEMSA-N -1 1 311.382 0.702 20 50 DCGDMM O=C([O-])C[C@@H]1CCCN1CC(=O)NNC(=O)c1ccccc1 ZINC000315016140 963844004 /nfs/dbraw/zinc/84/40/04/963844004.db2.gz STXNRGQTTQQFJS-LBPRGKRZSA-N -1 1 305.334 0.387 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000848593041 969268598 /nfs/dbraw/zinc/26/85/98/969268598.db2.gz WDXOFNBQRZNQGY-MRVPVSSYSA-N -1 1 314.367 0.752 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000738893065 978607607 /nfs/dbraw/zinc/60/76/07/978607607.db2.gz VWSIJZXALAKRAQ-QMMMGPOBSA-N -1 1 314.367 0.895 20 50 DCGDMM C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001599927516 985230024 /nfs/dbraw/zinc/23/00/24/985230024.db2.gz ADJQMOZJRFRXAN-ZBEGNZNMSA-N -1 1 319.361 0.490 20 50 DCGDMM CC(C)C(=O)NNC(=O)CN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001590940286 990981964 /nfs/dbraw/zinc/98/19/64/990981964.db2.gz WJPXOMIPYPTEEQ-SRVKXCTJSA-N -1 1 311.382 0.365 20 50 DCGDMM C[C@H](C(=O)[O-])[C@@H](NCC(=O)NNC(=O)C1CC1)c1ccccc1 ZINC000826054428 601651389 /nfs/dbraw/zinc/65/13/89/601651389.db2.gz MXBZLKHAPWUSJU-IINYFYTJSA-N -1 1 319.361 0.595 20 50 DCGDMM O=C([O-])NCCNC(=O)NN=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000832653034 603496134 /nfs/dbraw/zinc/49/61/34/603496134.db2.gz OJXQWEMIYUEHJH-UHFFFAOYSA-N -1 1 311.254 0.201 20 50 DCGDMM CC(=NNC(=O)N1CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948446 608094379 /nfs/dbraw/zinc/09/43/79/608094379.db2.gz NCUMQUKOKDAQMR-UHFFFAOYSA-N -1 1 321.366 0.694 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C2CC(=O)C2)o1 ZINC001574424010 948834776 /nfs/dbraw/zinc/83/47/76/948834776.db2.gz AYBFOKCAMZIKEA-UHFFFAOYSA-N -1 1 305.298 0.400 20 50 DCGDMM CC[C@H](CNC(=O)NNc1nncc(N)c1Cl)C(=O)[O-] ZINC001589538304 955178653 /nfs/dbraw/zinc/17/86/53/955178653.db2.gz HJUFXJYFWOJJPY-RXMQYKEDSA-N -1 1 302.722 0.449 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)NCCCCC(=O)[O-] ZINC000738892818 955252136 /nfs/dbraw/zinc/25/21/36/955252136.db2.gz RFWLKEDYLVMWRR-UHFFFAOYSA-N -1 1 300.340 0.650 20 50 DCGDMM O=C([O-])[C@]1(C(=O)NN=c2[nH]ccnc2C2CCC2)CCCO1 ZINC001574633529 962313911 /nfs/dbraw/zinc/31/39/11/962313911.db2.gz UYQQHPIVCCYBHN-CQSZACIVSA-N -1 1 306.322 0.821 20 50 DCGDMM COc1cccc(=NNC(=O)C2(CC(=O)[O-])CCOCC2)[nH]1 ZINC001604871534 974120711 /nfs/dbraw/zinc/12/07/11/974120711.db2.gz SZLYOFBHTJISKY-UHFFFAOYSA-N -1 1 309.322 0.805 20 50 DCGDMM CSCCNC(=S)NNC(=O)c1ccc(C(=O)[O-])o1 ZINC001599801176 988179107 /nfs/dbraw/zinc/17/91/07/988179107.db2.gz RJSJZNQDXOKEMA-UHFFFAOYSA-N -1 1 303.365 0.450 20 50 DCGDMM COc1ccc(=NNC(=O)Nc2ccn(CC(=O)[O-])n2)[nH]c1 ZINC001599598354 993778917 /nfs/dbraw/zinc/77/89/17/993778917.db2.gz YTNVBNLQBKOBMB-UHFFFAOYSA-N -1 1 306.282 0.520 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000830835133 603574564 /nfs/dbraw/zinc/57/45/64/603574564.db2.gz WZVQFJBSHSJHTG-SFYZADRCSA-N -1 1 312.351 0.649 20 50 DCGDMM O=C([O-])NCC(=O)NNC(=O)c1cn[nH]c1-c1ccccc1F ZINC000834203699 605449615 /nfs/dbraw/zinc/44/96/15/605449615.db2.gz WOCQWZAZAQCXJN-UHFFFAOYSA-N -1 1 321.268 0.244 20 50 DCGDMM O=C([O-])NCC(=O)NNC(=O)c1csc(-c2ccccc2)n1 ZINC000834202831 605451563 /nfs/dbraw/zinc/45/15/63/605451563.db2.gz DFBDJIRDLVEGTB-UHFFFAOYSA-N -1 1 320.330 0.839 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)Cc2cc[nH]n2)o1 ZINC000820203284 945377045 /nfs/dbraw/zinc/37/70/45/945377045.db2.gz QUXIGGQJUHMXJO-UHFFFAOYSA-N -1 1 317.313 0.387 20 50 DCGDMM C[C@@H]1C[N@@H+](CC(=O)NNC(=O)c2cccs2)C[C@@H]1C(=O)[O-] ZINC000111254731 958419378 /nfs/dbraw/zinc/41/93/78/958419378.db2.gz KEKJFPLZHFPCPX-BDAKNGLRSA-N -1 1 311.363 0.162 20 50 DCGDMM CC[C@](C)(NCC(=O)NNC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC001594848709 982082379 /nfs/dbraw/zinc/08/23/79/982082379.db2.gz KZZZCLIHWJWATJ-HNNXBMFYSA-N -1 1 307.350 0.599 20 50 DCGDMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 ZINC000833420908 604945982 /nfs/dbraw/zinc/94/59/82/604945982.db2.gz BYEKSKWGEVGKMB-NSHDSACASA-N -1 1 311.382 0.367 20 50 DCGDMM CC[C@H](NC(=O)[O-])C(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1 ZINC000827524609 605159166 /nfs/dbraw/zinc/15/91/66/605159166.db2.gz OQOKGMMGPHKKOY-QMMMGPOBSA-N -1 1 305.294 0.825 20 50 DCGDMM CCOC(=O)c1cnc(=NNC(=O)CCNC(=O)[O-])[nH]c1C ZINC000833861176 605441239 /nfs/dbraw/zinc/44/12/39/605441239.db2.gz MBXXZHIFILLJCA-UHFFFAOYSA-N -1 1 311.298 0.063 20 50 DCGDMM Cc1oc(-c2ccccc2)nc1C(=O)NNC(=O)CNC(=O)[O-] ZINC000833934496 605453719 /nfs/dbraw/zinc/45/37/19/605453719.db2.gz AWFDVLHJBBELGW-UHFFFAOYSA-N -1 1 318.289 0.679 20 50 DCGDMM O=C([O-])NCC(=O)NNC(=O)c1cnc(-c2ccccc2)s1 ZINC000834203496 605464936 /nfs/dbraw/zinc/46/49/36/605464936.db2.gz VIODRHLZGBBVNM-UHFFFAOYSA-N -1 1 320.330 0.839 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)NCC1CN(C(=O)[O-])C1 ZINC000833917842 605733459 /nfs/dbraw/zinc/73/34/59/605733459.db2.gz LRDBNCOQOSHBGP-UHFFFAOYSA-N -1 1 313.339 0.005 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)Cc2ccon2)o1 ZINC000820203309 945377329 /nfs/dbraw/zinc/37/73/29/945377329.db2.gz SECOUWFILVMGAN-UHFFFAOYSA-N -1 1 318.297 0.652 20 50 DCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)C(=O)N1CCCC1 ZINC000823272941 946370390 /nfs/dbraw/zinc/37/03/90/946370390.db2.gz AHNLIUDEPLRODQ-UHFFFAOYSA-N -1 1 319.350 0.001 20 50 DCGDMM Cc1onc(CC(=O)NNC(=O)CCC(C)C)c1-c1nnn[n-]1 ZINC000826348536 948076302 /nfs/dbraw/zinc/07/63/02/948076302.db2.gz RCQUVIPLEIYQEA-UHFFFAOYSA-N -1 1 321.341 0.289 20 50 DCGDMM Cc1onc(CC(=O)NNC(=O)CCC(C)C)c1-c1nn[n-]n1 ZINC000826348536 948076312 /nfs/dbraw/zinc/07/63/12/948076312.db2.gz RCQUVIPLEIYQEA-UHFFFAOYSA-N -1 1 321.341 0.289 20 50 DCGDMM COC(=O)c1ccc(NNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)nc1 ZINC001593882935 955726027 /nfs/dbraw/zinc/72/60/27/955726027.db2.gz IORHNXOGKINPBP-DTWKUNHWSA-N -1 1 307.306 0.812 20 50 DCGDMM CO[C@H](C(=O)[O-])C(=O)NN=c1[nH]cc(Br)cc1C ZINC001593911697 955970923 /nfs/dbraw/zinc/97/09/23/955970923.db2.gz PXZXNXBEGXGZGY-ZETCQYMHSA-N -1 1 318.127 0.695 20 50 DCGDMM CO[C@@H](C(=O)[O-])C(=O)NN=c1[nH]cc(Br)cc1C ZINC001593911696 955971411 /nfs/dbraw/zinc/97/14/11/955971411.db2.gz PXZXNXBEGXGZGY-SSDOTTSWSA-N -1 1 318.127 0.695 20 50 DCGDMM C[C@H]1[C@@H](C(=O)[O-])CCN1CC(=O)NNC(=O)c1ccc(F)cc1 ZINC001594166147 998624645 /nfs/dbraw/zinc/62/46/45/998624645.db2.gz OZPBBDZQGLPPDP-CABZTGNLSA-N -1 1 323.324 0.382 20 50 DCGDMM C[C@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000828441650 601532616 /nfs/dbraw/zinc/53/26/16/601532616.db2.gz RMRITOYKGFHAJW-JOYOIKCWSA-N -1 1 323.324 0.239 20 50 DCGDMM CN(CC(=O)NNC(=O)C(C)(C)C)C1CCN(C(=O)[O-])CC1 ZINC000828108043 603983657 /nfs/dbraw/zinc/98/36/57/603983657.db2.gz KRVJHCCAJZKESX-UHFFFAOYSA-N -1 1 314.386 0.254 20 50 DCGDMM COCCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821687547 945814645 /nfs/dbraw/zinc/81/46/45/945814645.db2.gz DWXHOVJWEKWEPR-CLFYSBASSA-N -1 1 318.362 0.988 20 50 DCGDMM O=C([O-])c1cnc(C(=O)NNc2nccnc2C2CCC2)cn1 ZINC001606537722 974061627 /nfs/dbraw/zinc/06/16/27/974061627.db2.gz RUJBYQJASMOEHU-UHFFFAOYSA-N -1 1 314.305 0.989 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001591111041 991765252 /nfs/dbraw/zinc/76/52/52/991765252.db2.gz DLQRCJYXJJKOIR-IJLUTSLNSA-N -1 1 313.398 0.754 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)C(C)(C)CNC(=O)[O-] ZINC000830829911 603660965 /nfs/dbraw/zinc/66/09/65/603660965.db2.gz QJQCLUHBJILDDO-UHFFFAOYSA-N -1 1 300.340 0.506 20 50 DCGDMM Cc1cc(NNC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)nc(C)n1 ZINC000830123660 605350500 /nfs/dbraw/zinc/35/05/00/605350500.db2.gz ZLTCTMQRSDNFPT-NSHDSACASA-N -1 1 323.353 0.696 20 50 DCGDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NNc2cccc(C#N)c2)n1 ZINC000826356881 608814639 /nfs/dbraw/zinc/81/46/39/608814639.db2.gz JPECRUNMSRPZEL-UHFFFAOYSA-N -1 1 324.308 0.620 20 50 DCGDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NNc2cccc(C#N)c2)n1 ZINC000826356881 608814642 /nfs/dbraw/zinc/81/46/42/608814642.db2.gz JPECRUNMSRPZEL-UHFFFAOYSA-N -1 1 324.308 0.620 20 50 DCGDMM CC(C)(C)OC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735639876 944684626 /nfs/dbraw/zinc/68/46/26/944684626.db2.gz RRLJNDWOSLMEIM-UHFFFAOYSA-N -1 1 305.298 0.431 20 50 DCGDMM COC[C@H](C)NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821681562 945802400 /nfs/dbraw/zinc/80/24/00/945802400.db2.gz NONXRJRXDCNCLK-HXOPTJOXSA-N -1 1 318.362 0.986 20 50 DCGDMM C=C(CCC(=O)OC)C(=O)NN=c1ccc(-c2nn[n-]n2)c[nH]1 ZINC001573295963 947033570 /nfs/dbraw/zinc/03/35/70/947033570.db2.gz XDTTUVQRZSPSNR-UHFFFAOYSA-N -1 1 317.309 0.214 20 50 DCGDMM Cc1onc(CC(=O)NNC(=O)C2CCCC2)c1-c1nnn[n-]1 ZINC000826347972 948063608 /nfs/dbraw/zinc/06/36/08/948063608.db2.gz OCQTUSFBFLRQMI-UHFFFAOYSA-N -1 1 319.325 0.043 20 50 DCGDMM Cc1onc(CC(=O)NNC(=O)C2CCCC2)c1-c1nn[n-]n1 ZINC000826347972 948063616 /nfs/dbraw/zinc/06/36/16/948063616.db2.gz OCQTUSFBFLRQMI-UHFFFAOYSA-N -1 1 319.325 0.043 20 50 DCGDMM Cc1cccc(C(=O)NNC(=O)CN[C@@H](C(=O)[O-])C(C)C)c1 ZINC000821107164 955492146 /nfs/dbraw/zinc/49/21/46/955492146.db2.gz LOFXEVFDSMCRAN-CYBMUJFWSA-N -1 1 307.350 0.455 20 50 DCGDMM O=C([O-])[C@]1(C(=O)NNC(=O)c2cc3ccccc3o2)CCCO1 ZINC001605814847 972540558 /nfs/dbraw/zinc/54/05/58/972540558.db2.gz WLISTHXSJNLRNP-OAHLLOKOSA-N -1 1 318.285 0.828 20 50 DCGDMM CN(C)c1nccc(NNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000830650872 601211265 /nfs/dbraw/zinc/21/12/65/601211265.db2.gz BFSYNPACGWOSAM-ZJUUUORDSA-N -1 1 307.354 0.877 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2ncccn2)o1 ZINC000820203310 945378996 /nfs/dbraw/zinc/37/89/96/945378996.db2.gz SFMPVZRWCHARPR-UHFFFAOYSA-N -1 1 315.297 0.525 20 50 DCGDMM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)NNC(=O)c2ccccc2)C1 ZINC000398716524 951601906 /nfs/dbraw/zinc/60/19/06/951601906.db2.gz FUDPWWMUUOOMGK-DGCLKSJQSA-N -1 1 319.361 0.490 20 50 DCGDMM O=C(NNc1ccnc2cccnc21)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594782003 953640069 /nfs/dbraw/zinc/64/00/69/953640069.db2.gz NMHSBFCPTLMELE-DTORHVGOSA-N -1 1 301.306 0.541 20 50 DCGDMM C[C@@H](CN1CCOCC1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589040004 955587274 /nfs/dbraw/zinc/58/72/74/955587274.db2.gz WVESSEKRYWRRCZ-JTQLQIEISA-N -1 1 308.338 0.191 20 50 DCGDMM Cn1nc(C(=O)[O-])cc1C(=O)NNc1ccnc2cccnc21 ZINC001605539559 973740990 /nfs/dbraw/zinc/74/09/90/973740990.db2.gz ZQAOWVIPJACNSI-UHFFFAOYSA-N -1 1 312.289 0.240 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCCC[C@@H]1CC(=O)[O-] ZINC000736402714 978331017 /nfs/dbraw/zinc/33/10/17/978331017.db2.gz XZOQISNIBLEGCH-VXGBXAGGSA-N -1 1 313.398 0.898 20 50 DCGDMM C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001594584776 986468256 /nfs/dbraw/zinc/46/82/56/986468256.db2.gz MOYJOBPJBSHSKR-NOZJJQNGSA-N -1 1 322.340 0.355 20 50 DCGDMM CN(CCNC(=O)NNC(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000828324430 603648529 /nfs/dbraw/zinc/64/85/29/603648529.db2.gz PMKQRHOQMXDWRO-UHFFFAOYSA-N -1 1 320.305 0.987 20 50 DCGDMM Cc1cc(=NNC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)[nH]cn1 ZINC000830123671 605332035 /nfs/dbraw/zinc/33/20/35/605332035.db2.gz ZYXSUXSUFORZSW-SNVBAGLBSA-N -1 1 309.326 0.387 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cn(C)cn2)o1 ZINC000824358221 607980277 /nfs/dbraw/zinc/98/02/77/607980277.db2.gz CIZIUVAROIJQKV-UHFFFAOYSA-N -1 1 317.313 0.469 20 50 DCGDMM CCOC(=O)c1cnc(=NNC(=O)[C@]2(C(=O)[O-])C[C@H]2C)[nH]c1C ZINC001591269104 951105737 /nfs/dbraw/zinc/10/57/37/951105737.db2.gz RWOPSLCTOZOSKP-UOWDBTKRSA-N -1 1 322.321 0.516 20 50 DCGDMM CCC(=O)NNC(=O)[C@H](C)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001589424904 954607319 /nfs/dbraw/zinc/60/73/19/954607319.db2.gz DWOWVAXHFJHTIU-CMPLNLGQSA-N -1 1 307.350 0.218 20 50 DCGDMM C[C@H](CN1CCOCC1)C(=O)NN=Cc1cccc(C(=O)[O-])c1 ZINC000814762713 955359682 /nfs/dbraw/zinc/35/96/82/955359682.db2.gz IOHKFCJTOUALPR-GFCCVEGCSA-N -1 1 319.361 0.803 20 50 DCGDMM CC[C@H](C)[C@H](NCC(=O)NNC(=O)c1cccc(C)c1)C(=O)[O-] ZINC000820459537 955471259 /nfs/dbraw/zinc/47/12/59/955471259.db2.gz AEPNJWFIZQIJDW-FZMZJTMJSA-N -1 1 321.377 0.845 20 50 DCGDMM C[C@@H](CNC(=O)NNC(=O)c1ccc2ccccc2n1)C(=O)[O-] ZINC001603183971 972285581 /nfs/dbraw/zinc/28/55/81/972285581.db2.gz LSWXJOOHSBOPTQ-VIFPVBQESA-N -1 1 316.317 0.900 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001588843335 961842555 /nfs/dbraw/zinc/84/25/55/961842555.db2.gz MEJDHFYPGTVYRC-SDDRHHMPSA-N -1 1 313.398 0.754 20 50 DCGDMM CCC[C@](C)(N[C@H](C)C(=O)NNC(=O)CC(C)C)C(=O)[O-] ZINC000736959149 978369960 /nfs/dbraw/zinc/36/99/60/978369960.db2.gz CZMGJXTWBIOJPB-YGRLFVJLSA-N -1 1 301.387 0.801 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000826753826 978948721 /nfs/dbraw/zinc/94/87/21/978948721.db2.gz GBYWHRKJAGNZKT-ONGXEEELSA-N -1 1 301.387 0.657 20 50 DCGDMM Cc1cccc(C(=O)NNC(=O)CN2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000832962977 601914987 /nfs/dbraw/zinc/91/49/87/601914987.db2.gz IOMHOTWNPMDBEN-INIZCTEOSA-N -1 1 319.361 0.553 20 50 DCGDMM O=C([O-])N1CCC[C@@H]1C(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000831742920 604007046 /nfs/dbraw/zinc/00/70/46/604007046.db2.gz VXLSJYHTMTUJHR-SNVBAGLBSA-N -1 1 317.305 0.921 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000833009857 604511818 /nfs/dbraw/zinc/51/18/18/604511818.db2.gz DNMBGGJJHCHSCZ-QMMMGPOBSA-N -1 1 312.351 0.745 20 50 DCGDMM CCOC(=O)c1cnc(=NNC(=O)[C@H](C)NC(=O)[O-])[nH]c1C ZINC000833861921 605442221 /nfs/dbraw/zinc/44/22/21/605442221.db2.gz VQQSSAISHSKUKO-ZETCQYMHSA-N -1 1 311.298 0.061 20 50 DCGDMM O=C([O-])N(CC(=O)NN=c1ncc(F)c[nH]1)C[C@H]1CCCO1 ZINC000834005774 605610025 /nfs/dbraw/zinc/61/00/25/605610025.db2.gz GSWSGVAVAHKLDZ-SECBINFHSA-N -1 1 313.289 0.218 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)N[C@@H](C)CCNC(=O)[O-] ZINC000833917410 605683576 /nfs/dbraw/zinc/68/35/76/605683576.db2.gz HICJQECCKGCIPL-LURJTMIESA-N -1 1 315.355 0.442 20 50 DCGDMM O=C([O-])NCCCC(=O)NNC(=O)C(F)(F)c1ccccc1 ZINC000834228374 605975786 /nfs/dbraw/zinc/97/57/86/605975786.db2.gz FUFPJLAZKNMIED-UHFFFAOYSA-N -1 1 315.276 0.974 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2ccn(C)n2)o1 ZINC000735938937 944719352 /nfs/dbraw/zinc/71/93/52/944719352.db2.gz JDICDYJIVUGYQC-UHFFFAOYSA-N -1 1 317.313 0.469 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cnc[nH]2)o1 ZINC000735939199 944719960 /nfs/dbraw/zinc/71/99/60/944719960.db2.gz LBQXIFDEVIYGLW-UHFFFAOYSA-N -1 1 303.286 0.458 20 50 DCGDMM COC[C@H](C)OC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821683266 945807673 /nfs/dbraw/zinc/80/76/73/945807673.db2.gz ZUJNMHJPQSKNRY-MOIHINDBSA-N -1 1 303.278 0.945 20 50 DCGDMM COC[C@H](C)OC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821683266 945807682 /nfs/dbraw/zinc/80/76/82/945807682.db2.gz ZUJNMHJPQSKNRY-MOIHINDBSA-N -1 1 303.278 0.945 20 50 DCGDMM Cc1nc(N)sc1C(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822449717 946091098 /nfs/dbraw/zinc/09/10/98/946091098.db2.gz LUHLKISSAANBOL-UHFFFAOYSA-N -1 1 318.322 0.571 20 50 DCGDMM Cc1nc(N)sc1C(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822449717 946091113 /nfs/dbraw/zinc/09/11/13/946091113.db2.gz LUHLKISSAANBOL-UHFFFAOYSA-N -1 1 318.322 0.571 20 50 DCGDMM O=C([O-])C[C@H]1CCCCN1CC(=O)NNC(=O)c1ccccc1 ZINC000321102318 951011480 /nfs/dbraw/zinc/01/14/80/951011480.db2.gz XBLNEMNTMMVHPY-CYBMUJFWSA-N -1 1 319.361 0.777 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)c1ccc(C(=O)[O-])cn1 ZINC000738893081 955252468 /nfs/dbraw/zinc/25/24/68/955252468.db2.gz WOKRNVCCLQDZSA-UHFFFAOYSA-N -1 1 306.303 0.620 20 50 DCGDMM C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000315007746 963843191 /nfs/dbraw/zinc/84/31/91/963843191.db2.gz JCGVPACMECGVJN-JQWIXIFHSA-N -1 1 305.334 0.100 20 50 DCGDMM O=C([O-])NCCCC(=O)NNC(=O)c1ccc(Cl)cc1O ZINC000739957577 978660797 /nfs/dbraw/zinc/66/07/97/978660797.db2.gz WUTJNNBSMSFAAU-UHFFFAOYSA-N -1 1 315.713 0.854 20 50 DCGDMM C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001594584758 986467376 /nfs/dbraw/zinc/46/73/76/986467376.db2.gz MHKWQUAUGGSEEN-JOYOIKCWSA-N -1 1 322.340 0.355 20 50 DCGDMM CSCCNC(=S)NNC(=O)c1oc(C(=O)[O-])cc1C ZINC001599801027 988176685 /nfs/dbraw/zinc/17/66/85/988176685.db2.gz NPNHUPKZPGXULP-UHFFFAOYSA-N -1 1 317.392 0.758 20 50 DCGDMM O=C([O-])NCCC(=O)NNC(=O)c1nccc2ccccc21 ZINC000834229168 605844345 /nfs/dbraw/zinc/84/43/45/605844345.db2.gz YJQDMFGQWKOJLL-UHFFFAOYSA-N -1 1 302.290 0.654 20 50 DCGDMM O=C([O-])NCCC(=O)NNC(=O)c1cc2cccc(F)c2o1 ZINC000834228441 605848791 /nfs/dbraw/zinc/84/87/91/605848791.db2.gz KHLRISLZTCXLQI-UHFFFAOYSA-N -1 1 309.253 0.991 20 50 DCGDMM O=C([O-])N(CC(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1)C1CC1 ZINC000834001535 605989715 /nfs/dbraw/zinc/98/97/15/605989715.db2.gz MYFIEZFAKWDBKN-UHFFFAOYSA-N -1 1 317.305 0.921 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@]2(C)CCCO2)o1 ZINC000820203380 945378964 /nfs/dbraw/zinc/37/89/64/945378964.db2.gz SVRLXIFDDAKFKI-CYBMUJFWSA-N -1 1 321.341 0.990 20 50 DCGDMM COC[C@H](C)NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821681493 945801040 /nfs/dbraw/zinc/80/10/40/945801040.db2.gz LZTSCFYUQCZCIB-MOIHINDBSA-N -1 1 302.294 0.518 20 50 DCGDMM COC[C@H](C)NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821681493 945801051 /nfs/dbraw/zinc/80/10/51/945801051.db2.gz LZTSCFYUQCZCIB-MOIHINDBSA-N -1 1 302.294 0.518 20 50 DCGDMM C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000323669554 951050053 /nfs/dbraw/zinc/05/00/53/951050053.db2.gz NRERNWQHRRPTJZ-DGCLKSJQSA-N -1 1 319.361 0.490 20 50 DCGDMM C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000323669557 951050386 /nfs/dbraw/zinc/05/03/86/951050386.db2.gz NRERNWQHRRPTJZ-WCQYABFASA-N -1 1 319.361 0.490 20 50 DCGDMM Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@@H](C(=O)[O-])C1 ZINC000818958966 955427496 /nfs/dbraw/zinc/42/74/96/955427496.db2.gz UAEIQDXWYLLDTM-CYBMUJFWSA-N -1 1 319.361 0.091 20 50 DCGDMM O=C([O-])[C@@]1(C(=O)NNC(=O)c2cc3ccccc3o2)CCCO1 ZINC001605814846 972539520 /nfs/dbraw/zinc/53/95/20/972539520.db2.gz WLISTHXSJNLRNP-HNNXBMFYSA-N -1 1 318.285 0.828 20 50 DCGDMM CCOC(=O)c1cnc(=NNC(=O)[C@H]2CC[C@H]2C(=O)[O-])[nH]c1C ZINC001603818238 974295177 /nfs/dbraw/zinc/29/51/77/974295177.db2.gz BWRUGNGJFGABAF-DTWKUNHWSA-N -1 1 322.321 0.516 20 50 DCGDMM Cc1cc(CC(=O)NN=Cc2ccc(OCC(=O)[O-])cc2)[nH]n1 ZINC000767402652 978736938 /nfs/dbraw/zinc/73/69/38/978736938.db2.gz DCSJOOGLFLCPBK-UHFFFAOYSA-N -1 1 316.317 0.874 20 50 DCGDMM O=C([O-])NCC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000834203597 605488004 /nfs/dbraw/zinc/48/80/04/605488004.db2.gz UNOLVDTWEMEUDK-UHFFFAOYSA-N -1 1 316.657 0.277 20 50 DCGDMM Cc1cc(NNC(=O)c2ccc(-c3nn[n-]n3)nc2)nc(C)n1 ZINC000737281647 945031062 /nfs/dbraw/zinc/03/10/62/945031062.db2.gz VFEROAMTQDCEKN-UHFFFAOYSA-N -1 1 311.309 0.425 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CC[C@@H](C)O2)o1 ZINC000820675710 945519788 /nfs/dbraw/zinc/51/97/88/945519788.db2.gz KIZHOSPWBOYPDC-SFYZADRCSA-N -1 1 321.341 0.989 20 50 DCGDMM COc1cc(C)[n-]c(=NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC000826178884 947554411 /nfs/dbraw/zinc/55/44/11/947554411.db2.gz PTRAKNXQVGNKEW-UHFFFAOYSA-N -1 1 315.297 0.059 20 50 DCGDMM Cc1cc(CC(=O)NNC(=O)c2coc(C=CC(=O)[O-])c2)[nH]n1 ZINC001574326034 960851197 /nfs/dbraw/zinc/85/11/97/960851197.db2.gz GRDBQJPMSAEASU-IHWYPQMZSA-N -1 1 318.289 0.413 20 50 DCGDMM O=C([O-])C1=NO[C@H](C(=O)NN=c2[nH]ccnc2C2CCC2)C1 ZINC001605969997 972974374 /nfs/dbraw/zinc/97/43/74/972974374.db2.gz JFGNKKLANGDNQK-VIFPVBQESA-N -1 1 305.294 0.417 20 50 DCGDMM CC[C@@](C)(NCC(=O)NNC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC001594848710 982082781 /nfs/dbraw/zinc/08/27/81/982082781.db2.gz KZZZCLIHWJWATJ-OAHLLOKOSA-N -1 1 307.350 0.599 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)[N@@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000826753941 604745428 /nfs/dbraw/zinc/74/54/28/604745428.db2.gz HOTSCFMMWBGWGG-GHMZBOCLSA-N -1 1 313.398 0.754 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000826753941 604745429 /nfs/dbraw/zinc/74/54/29/604745429.db2.gz HOTSCFMMWBGWGG-GHMZBOCLSA-N -1 1 313.398 0.754 20 50 DCGDMM Cc1noc(C)c1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000830904743 605189675 /nfs/dbraw/zinc/18/96/75/605189675.db2.gz ZESFUBQJUNKRKV-SECBINFHSA-N -1 1 310.310 0.442 20 50 DCGDMM Cc1ncsc1C(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822482149 946100762 /nfs/dbraw/zinc/10/07/62/946100762.db2.gz KJHNCMQODDNPNC-UHFFFAOYSA-N -1 1 303.307 0.989 20 50 DCGDMM Cc1ncsc1C(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822482149 946100768 /nfs/dbraw/zinc/10/07/68/946100768.db2.gz KJHNCMQODDNPNC-UHFFFAOYSA-N -1 1 303.307 0.989 20 50 DCGDMM O=C([O-])CCNC(=O)NNC(=O)c1ccc2ccccc2n1 ZINC000819492624 955448794 /nfs/dbraw/zinc/44/87/94/955448794.db2.gz SWRBSZDJQDVYJE-UHFFFAOYSA-N -1 1 302.290 0.654 20 50 DCGDMM O=C([O-])c1ccc[nH]c1=NNC(=O)CCCCc1cn[nH]n1 ZINC001574524014 961865207 /nfs/dbraw/zinc/86/52/07/961865207.db2.gz BIERXOHQFYNYDQ-UHFFFAOYSA-N -1 1 304.310 0.754 20 50 DCGDMM Cc1ccc(C(=O)NNC(=O)CN(C)C[C@@H](C)C(=O)[O-])cc1 ZINC000738513334 978550618 /nfs/dbraw/zinc/55/06/18/978550618.db2.gz JWGUGQSTQXDBCI-LLVKDONJSA-N -1 1 307.350 0.409 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000738893064 978607588 /nfs/dbraw/zinc/60/75/88/978607588.db2.gz VWSIJZXALAKRAQ-MRVPVSSYSA-N -1 1 314.367 0.895 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)CCSCC(=O)[O-] ZINC000738892844 978607797 /nfs/dbraw/zinc/60/77/97/978607797.db2.gz RVTFABLWWQILSX-UHFFFAOYSA-N -1 1 303.365 0.420 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000830835129 603574636 /nfs/dbraw/zinc/57/46/36/603574636.db2.gz WZVQFJBSHSJHTG-HTQZYQBOSA-N -1 1 312.351 0.649 20 50 DCGDMM Cc1cc(NNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)nc(C)n1 ZINC000830123117 605350210 /nfs/dbraw/zinc/35/02/10/605350210.db2.gz RYCDAOSAXSMMHI-JTQLQIEISA-N -1 1 309.326 0.305 20 50 DCGDMM O=C([O-])NCC(=O)NNC(=O)c1cncnc1-c1ccccc1 ZINC000834202859 605461027 /nfs/dbraw/zinc/46/10/27/605461027.db2.gz FUXHSKRCTAGWNO-UHFFFAOYSA-N -1 1 315.289 0.172 20 50 DCGDMM Cc1[nH+]c(C(=O)[N-]NC(=O)CCCNC(=O)[O-])c2ccccn12 ZINC000833912263 605975810 /nfs/dbraw/zinc/97/58/10/605975810.db2.gz FIFDCWVPDFBZMB-UHFFFAOYSA-N -1 1 319.321 0.452 20 50 DCGDMM Cc1cc(C(=O)NN=Cc2ccc(-c3nn[n-]n3)s2)[nH]n1 ZINC000822176296 945968150 /nfs/dbraw/zinc/96/81/50/945968150.db2.gz IEWZSRSAMQVRLJ-UHFFFAOYSA-N -1 1 302.323 0.724 20 50 DCGDMM O=C(NCc1ccco1)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823262018 946363531 /nfs/dbraw/zinc/36/35/31/946363531.db2.gz ZYUDIFRKEISNDQ-UHFFFAOYSA-N -1 1 301.266 0.886 20 50 DCGDMM O=C(NCc1ccco1)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823262018 946363545 /nfs/dbraw/zinc/36/35/45/946363545.db2.gz ZYUDIFRKEISNDQ-UHFFFAOYSA-N -1 1 301.266 0.886 20 50 DCGDMM Cc1onc(CC(=O)NNc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000826348669 948078541 /nfs/dbraw/zinc/07/85/41/948078541.db2.gz XWFMCSFBACCIGZ-UHFFFAOYSA-N -1 1 324.304 0.721 20 50 DCGDMM Cc1onc(CC(=O)NNc2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC000826348669 948078545 /nfs/dbraw/zinc/07/85/45/948078545.db2.gz XWFMCSFBACCIGZ-UHFFFAOYSA-N -1 1 324.304 0.721 20 50 DCGDMM Cc1ccc(C(=O)NNC(=O)CN[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000821063860 955487800 /nfs/dbraw/zinc/48/78/00/955487800.db2.gz GGHOMRLQDAAREB-CYBMUJFWSA-N -1 1 307.350 0.455 20 50 DCGDMM C[C@H]1C[N@@H+](CC(=O)NNC(=O)c2cccs2)C[C@@H]1C(=O)[O-] ZINC000111254733 958419290 /nfs/dbraw/zinc/41/92/90/958419290.db2.gz KEKJFPLZHFPCPX-IUCAKERBSA-N -1 1 311.363 0.162 20 50 DCGDMM O=C([O-])CCS(=O)(=O)NNC(=O)c1cc2c(s1)CCC2 ZINC000739741951 978652372 /nfs/dbraw/zinc/65/23/72/978652372.db2.gz IELCELSUIATFMQ-UHFFFAOYSA-N -1 1 318.376 0.276 20 50 DCGDMM C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@H]1CC(=O)[O-] ZINC001599865300 989242080 /nfs/dbraw/zinc/24/20/80/989242080.db2.gz VSBKBFFTALPYAB-DGCLKSJQSA-N -1 1 319.361 0.490 20 50 DCGDMM O=C([O-])NCC(=O)NNC(=O)c1cc(Br)cs1 ZINC000834202884 605466776 /nfs/dbraw/zinc/46/67/76/605466776.db2.gz ANOBEJQFUKYERR-UHFFFAOYSA-N -1 1 322.140 0.539 20 50 DCGDMM Cc1ccc(C(=O)NNC(=O)CN[C@H](C(=O)[O-])C(C)C)cc1 ZINC000832911450 601823972 /nfs/dbraw/zinc/82/39/72/601823972.db2.gz GGHOMRLQDAAREB-ZDUSSCGKSA-N -1 1 307.350 0.455 20 50 DCGDMM O=C([O-])NCCOCC(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000832669186 604005306 /nfs/dbraw/zinc/00/53/06/604005306.db2.gz UURMJWQPLQVJOX-UHFFFAOYSA-N -1 1 321.293 0.063 20 50 DCGDMM COc1cc(C)[n-]c(=NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC000826179113 607746778 /nfs/dbraw/zinc/74/67/78/607746778.db2.gz ZSOSXRBZCHPJJD-UHFFFAOYSA-N -1 1 315.297 0.059 20 50 DCGDMM COC[C@@H](C)OC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821683264 945807383 /nfs/dbraw/zinc/80/73/83/945807383.db2.gz ZUJNMHJPQSKNRY-CPJBWDMUSA-N -1 1 303.278 0.945 20 50 DCGDMM COC[C@@H](C)OC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821683264 945807389 /nfs/dbraw/zinc/80/73/89/945807389.db2.gz ZUJNMHJPQSKNRY-CPJBWDMUSA-N -1 1 303.278 0.945 20 50 DCGDMM CC(C)(C)CC(=O)NNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001573839159 950126773 /nfs/dbraw/zinc/12/67/73/950126773.db2.gz MRZRFIDBYZNMPV-UHFFFAOYSA-N -1 1 318.341 0.851 20 50 DCGDMM CC(C)(C)CC(=O)NNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001573839159 950126783 /nfs/dbraw/zinc/12/67/83/950126783.db2.gz MRZRFIDBYZNMPV-UHFFFAOYSA-N -1 1 318.341 0.851 20 50 DCGDMM O=C([O-])C1=NO[C@H](C(=O)NNc2cc(C(F)(F)F)ccn2)C1 ZINC001594888854 954494385 /nfs/dbraw/zinc/49/43/85/954494385.db2.gz HFXDYVTWGLEQIA-ZETCQYMHSA-N -1 1 318.211 0.773 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001603003125 972053476 /nfs/dbraw/zinc/05/34/76/972053476.db2.gz XUHJOBCAKJZQOM-GRYCIOLGSA-N -1 1 313.398 0.611 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000817858611 955369433 /nfs/dbraw/zinc/36/94/33/955369433.db2.gz LJIVLPWQHCOQQF-NEPJUHHUSA-N -1 1 313.398 0.755 20 50 DCGDMM C#CC[N@@H+](C)CCCNC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001588461238 983488963 /nfs/dbraw/zinc/48/89/63/983488963.db2.gz IHDAMFPQLWIQLS-UHFFFAOYSA-N -1 1 318.377 0.895 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000830829443 604155504 /nfs/dbraw/zinc/15/55/04/604155504.db2.gz KKBRZTUWZKNNHX-ZCFIWIBFSA-N -1 1 300.340 0.458 20 50 DCGDMM Cc1ccccc1CC(=O)NNC(=O)CN(C)C[C@@H](C)C(=O)[O-] ZINC000832977802 604478978 /nfs/dbraw/zinc/47/89/78/604478978.db2.gz UCOJIGDPPLPKQP-GFCCVEGCSA-N -1 1 321.377 0.337 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C2=COCC2)o1 ZINC000735939210 944720406 /nfs/dbraw/zinc/72/04/06/944720406.db2.gz LMHXOOUXUKRYJP-UHFFFAOYSA-N -1 1 305.298 0.725 20 50 DCGDMM Cc1cc(NNC(=O)c2ccc(-c3nnn[n-]3)s2)ncn1 ZINC000822209452 945993000 /nfs/dbraw/zinc/99/30/00/945993000.db2.gz JMINVCREHDZEQS-UHFFFAOYSA-N -1 1 302.323 0.784 20 50 DCGDMM Cc1cc(NNC(=O)c2ccc(-c3nn[n-]n3)s2)ncn1 ZINC000822209452 945993009 /nfs/dbraw/zinc/99/30/09/945993009.db2.gz JMINVCREHDZEQS-UHFFFAOYSA-N -1 1 302.323 0.784 20 50 DCGDMM CCOC(=O)c1cnc(=NNC(=O)C2(C(=O)[O-])CCC2)[nH]c1C ZINC001591268566 951100902 /nfs/dbraw/zinc/10/09/02/951100902.db2.gz HFJRGZMPYYLWOF-UHFFFAOYSA-N -1 1 322.321 0.660 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC001588843334 961845029 /nfs/dbraw/zinc/84/50/29/961845029.db2.gz MEJDHFYPGTVYRC-GRYCIOLGSA-N -1 1 313.398 0.754 20 50 DCGDMM COc1cccc(NNC(=O)CCCn2ccc(C(=O)[O-])n2)n1 ZINC001599680092 994964600 /nfs/dbraw/zinc/96/46/00/994964600.db2.gz XVMQTIOXSUKRFE-UHFFFAOYSA-N -1 1 319.321 0.908 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C[C@H](O)C(C)C)o1 ZINC000824358482 607557563 /nfs/dbraw/zinc/55/75/63/607557563.db2.gz LGGIOOABMUAJJW-QMMMGPOBSA-N -1 1 323.357 0.828 20 50 DCGDMM C[C@@H](CC(=O)NNC(=O)c1ccc(Cl)cc1O)NC(=O)[O-] ZINC000824671670 603498661 /nfs/dbraw/zinc/49/86/61/603498661.db2.gz JKJDSSAIVIBXBN-LURJTMIESA-N -1 1 315.713 0.853 20 50 DCGDMM Cc1nc(C(=O)NNC(=O)CCCNC(=O)[O-])c(C)s1 ZINC000833912781 605974619 /nfs/dbraw/zinc/97/46/19/605974619.db2.gz PBHWXWYDNAAHOF-UHFFFAOYSA-N -1 1 300.340 0.569 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CCO[C@H]2C)o1 ZINC000824352600 608157553 /nfs/dbraw/zinc/15/75/53/608157553.db2.gz JWGVHWNNXMLTEC-YUMQZZPRSA-N -1 1 321.341 0.846 20 50 DCGDMM Cc1ccccc1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737415191 945061344 /nfs/dbraw/zinc/06/13/44/945061344.db2.gz MAFOOERFRPGFQV-UHFFFAOYSA-N -1 1 323.316 0.645 20 50 DCGDMM Cc1ccccc1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737415191 945061357 /nfs/dbraw/zinc/06/13/57/945061357.db2.gz MAFOOERFRPGFQV-UHFFFAOYSA-N -1 1 323.316 0.645 20 50 DCGDMM COc1cc(C)[n-]c(=NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC000821712814 945842334 /nfs/dbraw/zinc/84/23/34/945842334.db2.gz MLAZHOUMJBMTHW-UHFFFAOYSA-N -1 1 315.297 0.059 20 50 DCGDMM COc1cccc(NNC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)n1 ZINC001594131594 958679241 /nfs/dbraw/zinc/67/92/41/958679241.db2.gz FJQCEWJZJRBSAW-NXEZZACHSA-N -1 1 309.322 0.803 20 50 DCGDMM C[C@H](C(=O)[O-])C(=O)NNC(=O)c1ccc(Br)s1 ZINC001588574011 959205433 /nfs/dbraw/zinc/20/54/33/959205433.db2.gz SFIFXDMIMJVSTQ-BYPYZUCNSA-N -1 1 321.152 0.992 20 50 DCGDMM C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001594584759 986467310 /nfs/dbraw/zinc/46/73/10/986467310.db2.gz MHKWQUAUGGSEEN-SKDRFNHKSA-N -1 1 322.340 0.355 20 50 DCGDMM C[C@H]1CC[C@@](NCC(=O)NNC(=O)C(C)(C)C)(C(=O)[O-])CC1 ZINC001589693646 987768014 /nfs/dbraw/zinc/76/80/14/987768014.db2.gz SYUUIISIXZFOAS-LGZQZNNBSA-N -1 1 313.398 0.803 20 50 DCGDMM CN(C)c1nccc(NNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000830650866 601211390 /nfs/dbraw/zinc/21/13/90/601211390.db2.gz BFSYNPACGWOSAM-NXEZZACHSA-N -1 1 307.354 0.877 20 50 DCGDMM C[C@H](CN1CCOCC1)C(=O)NN=Cc1ccc(C(=O)[O-])[nH]1 ZINC000827461387 601336560 /nfs/dbraw/zinc/33/65/60/601336560.db2.gz VTRHXBBXGPWFFY-SNVBAGLBSA-N -1 1 308.338 0.131 20 50 DCGDMM Cc1ccc(C(=O)NNC(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000832912122 601523762 /nfs/dbraw/zinc/52/37/62/601523762.db2.gz VEAIKMTZFGRBAD-YPMHNXCESA-N -1 1 319.361 0.409 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)NCC(C)(C)NC(=O)[O-] ZINC000830834860 603457242 /nfs/dbraw/zinc/45/72/42/603457242.db2.gz QRQSPAXBACDGGM-UHFFFAOYSA-N -1 1 315.355 0.442 20 50 DCGDMM O=C([O-])N1CC[C@H](C(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)C1 ZINC000831742998 604005192 /nfs/dbraw/zinc/00/51/92/604005192.db2.gz YTDAFXDRKSJYDU-QMMMGPOBSA-N -1 1 317.305 0.778 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CCO[C@@H]2C)o1 ZINC000824352599 608157530 /nfs/dbraw/zinc/15/75/30/608157530.db2.gz JWGVHWNNXMLTEC-SFYZADRCSA-N -1 1 321.341 0.846 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CC[C@H](C)O2)o1 ZINC000820675708 945519119 /nfs/dbraw/zinc/51/91/19/945519119.db2.gz KIZHOSPWBOYPDC-JGVFFNPUSA-N -1 1 321.341 0.989 20 50 DCGDMM COC[C@@H](C)NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821681491 945801477 /nfs/dbraw/zinc/80/14/77/945801477.db2.gz LZTSCFYUQCZCIB-CPJBWDMUSA-N -1 1 302.294 0.518 20 50 DCGDMM COC[C@@H](C)NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821681491 945801483 /nfs/dbraw/zinc/80/14/83/945801483.db2.gz LZTSCFYUQCZCIB-CPJBWDMUSA-N -1 1 302.294 0.518 20 50 DCGDMM N#Cc1ccc(C(=O)NN=CC2=S=CC(c3nn[n-]n3)=C2)cc1 ZINC000822822876 946197706 /nfs/dbraw/zinc/19/77/06/946197706.db2.gz GCHCMKAVWFZABU-UHFFFAOYSA-N -1 1 323.341 0.592 20 50 DCGDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1cccc(Cl)c1 ZINC000823132104 946326434 /nfs/dbraw/zinc/32/64/34/946326434.db2.gz ZZEHHCVBCDOKGX-UHFFFAOYSA-N -1 1 319.716 0.255 20 50 DCGDMM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)NNC(=O)c2ccccc2)C1 ZINC000398716528 951602872 /nfs/dbraw/zinc/60/28/72/951602872.db2.gz FUDPWWMUUOOMGK-YPMHNXCESA-N -1 1 319.361 0.490 20 50 DCGDMM C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000315007743 963842733 /nfs/dbraw/zinc/84/27/33/963842733.db2.gz JCGVPACMECGVJN-CMPLNLGQSA-N -1 1 305.334 0.100 20 50 DCGDMM C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001594584779 986468324 /nfs/dbraw/zinc/46/83/24/986468324.db2.gz MOYJOBPJBSHSKR-ZANVPECISA-N -1 1 322.340 0.355 20 50 DCGDMM CN(C)c1nccc(NNC(=O)C[C@@H]2CCCN2C(=O)[O-])n1 ZINC000828080884 603655624 /nfs/dbraw/zinc/65/56/24/603655624.db2.gz ISXBVWUXSXLAKV-VIFPVBQESA-N -1 1 308.342 0.518 20 50 DCGDMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 ZINC000833420906 604945918 /nfs/dbraw/zinc/94/59/18/604945918.db2.gz BYEKSKWGEVGKMB-LLVKDONJSA-N -1 1 311.382 0.367 20 50 DCGDMM O=C([O-])N1CCSC[C@@H]1CC(=O)NN=c1ncc(F)c[nH]1 ZINC000833988451 605609563 /nfs/dbraw/zinc/60/95/63/605609563.db2.gz OTYCJVOJROINHY-QMMMGPOBSA-N -1 1 315.330 0.544 20 50 DCGDMM Cc1ncc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)[nH]1 ZINC000737468275 945074515 /nfs/dbraw/zinc/07/45/15/945074515.db2.gz SFEFTJOGVBCEFV-UHFFFAOYSA-N -1 1 317.313 0.767 20 50 DCGDMM COC(C)(C)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736956758 944919426 /nfs/dbraw/zinc/91/94/26/944919426.db2.gz JJEMDTPARJTIMG-UHFFFAOYSA-N -1 1 309.330 0.846 20 50 DCGDMM Cc1onc(CC(=O)NNc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826348367 948074201 /nfs/dbraw/zinc/07/42/01/948074201.db2.gz IYADZTUQIVVMPD-UHFFFAOYSA-N -1 1 317.284 0.988 20 50 DCGDMM Cc1onc(CC(=O)NNc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826348367 948074213 /nfs/dbraw/zinc/07/42/13/948074213.db2.gz IYADZTUQIVVMPD-UHFFFAOYSA-N -1 1 317.284 0.988 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H](CC(=O)[O-])C1 ZINC000817858612 955369106 /nfs/dbraw/zinc/36/91/06/955369106.db2.gz LJIVLPWQHCOQQF-NWDGAFQWSA-N -1 1 313.398 0.755 20 50 DCGDMM Nc1cnnc(NNC(=O)NCC2(C(=O)[O-])CCC2)c1Cl ZINC001605655638 974047021 /nfs/dbraw/zinc/04/70/21/974047021.db2.gz SGSHYKHYCXHEJI-UHFFFAOYSA-N -1 1 314.733 0.593 20 50 DCGDMM CN(C)c1nccc(NNC(=O)C[C@H]2CCCN2C(=O)[O-])n1 ZINC000828080883 603655527 /nfs/dbraw/zinc/65/55/27/603655527.db2.gz ISXBVWUXSXLAKV-SECBINFHSA-N -1 1 308.342 0.518 20 50 DCGDMM Cc1cc(NNC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)nc(C)n1 ZINC000830123659 605350355 /nfs/dbraw/zinc/35/03/55/605350355.db2.gz ZLTCTMQRSDNFPT-LLVKDONJSA-N -1 1 323.353 0.696 20 50 DCGDMM O=C([O-])N1CCC[C@@H](OCC(=O)NNc2ncc(F)cn2)C1 ZINC000834009020 605612839 /nfs/dbraw/zinc/61/28/39/605612839.db2.gz APPXAAHLHRDNPS-SECBINFHSA-N -1 1 313.289 0.218 20 50 DCGDMM O=C([O-])N1CCC[C@@H](OCC(=O)NN=c2ncc(F)c[nH]2)C1 ZINC000834009020 605612843 /nfs/dbraw/zinc/61/28/43/605612843.db2.gz APPXAAHLHRDNPS-SECBINFHSA-N -1 1 313.289 0.218 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)NC[C@H](C)CNC(=O)[O-] ZINC000833917432 605792933 /nfs/dbraw/zinc/79/29/33/605792933.db2.gz HNRSMKWBMOVRBJ-LURJTMIESA-N -1 1 315.355 0.299 20 50 DCGDMM O=C(NNc1ccncc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000823281117 606854400 /nfs/dbraw/zinc/85/44/00/606854400.db2.gz MMNWHKGZXKGSOG-UHFFFAOYSA-N -1 1 316.712 0.489 20 50 DCGDMM O=C(NNc1ccncc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000823281117 606854401 /nfs/dbraw/zinc/85/44/01/606854401.db2.gz MMNWHKGZXKGSOG-UHFFFAOYSA-N -1 1 316.712 0.489 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CCCO2)o1 ZINC000824359325 608120573 /nfs/dbraw/zinc/12/05/73/608120573.db2.gz VNRAVVZCHVXYLG-ZETCQYMHSA-N -1 1 307.314 0.600 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)Cn2ccnc2)o1 ZINC000820202063 945375839 /nfs/dbraw/zinc/37/58/39/945375839.db2.gz FFOTUCIAFZSSLI-UHFFFAOYSA-N -1 1 317.313 0.318 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CCCCO2)o1 ZINC000820203634 945381768 /nfs/dbraw/zinc/38/17/68/945381768.db2.gz XACHJMAEQHOLSX-MRVPVSSYSA-N -1 1 321.341 0.990 20 50 DCGDMM CC[C@@H](CNC(=O)NNc1nncc(N)c1Cl)C(=O)[O-] ZINC001589538308 955179624 /nfs/dbraw/zinc/17/96/24/955179624.db2.gz HJUFXJYFWOJJPY-YFKPBYRVSA-N -1 1 302.722 0.449 20 50 DCGDMM O=C([O-])[C@@]1(C(=O)NNc2ccnc3cccnc32)CCCO1 ZINC001605936011 972878534 /nfs/dbraw/zinc/87/85/34/972878534.db2.gz XCTNEQJGFIQADD-AWEZNQCLSA-N -1 1 302.290 0.129 20 50 DCGDMM O=C([O-])[C@]1(C(=O)NNc2ccnc3cccnc32)CCCO1 ZINC001605936012 972878685 /nfs/dbraw/zinc/87/86/85/972878685.db2.gz XCTNEQJGFIQADD-CQSZACIVSA-N -1 1 302.290 0.129 20 50 DCGDMM CC(C)c1nccnc1NNC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001592038850 976758300 /nfs/dbraw/zinc/75/83/00/976758300.db2.gz AVNSXANDELUAIG-UHFFFAOYSA-N -1 1 304.310 0.638 20 50 DCGDMM CC(C)c1nccnc1NNC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001592039422 976761081 /nfs/dbraw/zinc/76/10/81/976761081.db2.gz HURUYMNNGJGEAS-UHFFFAOYSA-N -1 1 305.298 0.033 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@]2(C)CCCO2)o1 ZINC000820203381 945378246 /nfs/dbraw/zinc/37/82/46/945378246.db2.gz SVRLXIFDDAKFKI-ZDUSSCGKSA-N -1 1 321.341 0.990 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CC[C@@H](C)O2)o1 ZINC000820675706 945519654 /nfs/dbraw/zinc/51/96/54/945519654.db2.gz KIZHOSPWBOYPDC-HTQZYQBOSA-N -1 1 321.341 0.989 20 50 DCGDMM CCC(CC)NC(=O)C(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820898182 945584447 /nfs/dbraw/zinc/58/44/47/945584447.db2.gz WCJAZOYAFMKNHQ-UHFFFAOYSA-N -1 1 319.325 0.215 20 50 DCGDMM CCC(CC)NC(=O)C(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820898182 945584452 /nfs/dbraw/zinc/58/44/52/945584452.db2.gz WCJAZOYAFMKNHQ-UHFFFAOYSA-N -1 1 319.325 0.215 20 50 DCGDMM O=C([O-])[C@H](C(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1)C1CC1 ZINC001594835682 954024955 /nfs/dbraw/zinc/02/49/55/954024955.db2.gz KKHSDKDOLKZMDR-JTQLQIEISA-N -1 1 302.290 0.889 20 50 DCGDMM Cc1cc(CC(=O)NNC(=O)c2ccc(C(=O)[O-])cc2)[nH]n1 ZINC001574326307 960856443 /nfs/dbraw/zinc/85/64/43/960856443.db2.gz OPDODYVZTKTGMP-UHFFFAOYSA-N -1 1 302.290 0.420 20 50 DCGDMM C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc(C(=O)[O-])cc1 ZINC000916363077 969644366 /nfs/dbraw/zinc/64/43/66/969644366.db2.gz QEHYZFUNMHQAQV-LBPRGKRZSA-N -1 1 319.361 0.803 20 50 DCGDMM Cc1onc(CC(=O)NNc2ccccn2)c1-c1nnn[n-]1 ZINC000826348595 609471722 /nfs/dbraw/zinc/47/17/22/609471722.db2.gz UQSVCODIKCROKV-UHFFFAOYSA-N -1 1 300.282 0.244 20 50 DCGDMM Cc1onc(CC(=O)NNc2ccccn2)c1-c1nn[n-]n1 ZINC000826348595 609471724 /nfs/dbraw/zinc/47/17/24/609471724.db2.gz UQSVCODIKCROKV-UHFFFAOYSA-N -1 1 300.282 0.244 20 50 DCGDMM O=C([O-])Cn1cccc1C=NNC(=O)c1[nH]nc2c1CCCC2 ZINC001602166263 971160377 /nfs/dbraw/zinc/16/03/77/971160377.db2.gz IMAHATPATHCVCT-UHFFFAOYSA-N -1 1 315.333 0.939 20 50 DCGDMM COCCCNC(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821687762 945812434 /nfs/dbraw/zinc/81/24/34/945812434.db2.gz NJVDAJYQXFHNDJ-UHFFFAOYSA-N -1 1 309.355 0.598 20 50 DCGDMM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)NNC(=O)C(C)(C)C)C1 ZINC001589605086 949238675 /nfs/dbraw/zinc/23/86/75/949238675.db2.gz JPFNOXUCKRRLCN-OAHLLOKOSA-N -1 1 313.398 0.757 20 50 DCGDMM O=C([O-])C[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccccc1 ZINC000321102319 951011127 /nfs/dbraw/zinc/01/11/27/951011127.db2.gz XBLNEMNTMMVHPY-ZDUSSCGKSA-N -1 1 319.361 0.777 20 50 DCGDMM CC[C@H](C)[C@H](NCC(=O)NNC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000820459556 955471195 /nfs/dbraw/zinc/47/11/95/955471195.db2.gz CBDLOPIGWOWUAV-FZMZJTMJSA-N -1 1 321.377 0.845 20 50 DCGDMM O=C([O-])C1=NO[C@@H](C(=O)NN=c2[nH]ccnc2C2CCC2)C1 ZINC001605969996 972974690 /nfs/dbraw/zinc/97/46/90/972974690.db2.gz JFGNKKLANGDNQK-SECBINFHSA-N -1 1 305.294 0.417 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)CCCN(C)C(=O)[O-] ZINC000738892302 978607582 /nfs/dbraw/zinc/60/75/82/978607582.db2.gz INXFRUKAUPPIMD-UHFFFAOYSA-N -1 1 300.340 0.603 20 50 DCGDMM COc1cccc(=NNC(=O)Cn2cccc(C(=O)[O-])c2=O)[nH]1 ZINC001599679794 994960053 /nfs/dbraw/zinc/96/00/53/994960053.db2.gz ICEIESBOSQNNTL-UHFFFAOYSA-N -1 1 318.289 0.093 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000830828892 603929069 /nfs/dbraw/zinc/92/90/69/603929069.db2.gz FQYQMSBWZWWNNY-GFCCVEGCSA-N -1 1 312.351 0.603 20 50 DCGDMM O=C([O-])NCC(=O)NNC(=O)c1occc1-c1ccccc1 ZINC000834203342 605455858 /nfs/dbraw/zinc/45/58/58/605455858.db2.gz RCAXNKMCMLVVFS-UHFFFAOYSA-N -1 1 303.274 0.975 20 50 DCGDMM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)[C@@H](C)CN1CCOCC1 ZINC000833801819 605625022 /nfs/dbraw/zinc/62/50/22/605625022.db2.gz MGFUAKDZNGCMHG-QWRGUYRKSA-N -1 1 314.386 0.493 20 50 DCGDMM C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000323669553 951050649 /nfs/dbraw/zinc/05/06/49/951050649.db2.gz NRERNWQHRRPTJZ-AAEUAGOBSA-N -1 1 319.361 0.490 20 50 DCGDMM C[C@H](CN1CCOCC1)C(=O)NN=C1CCC(C(=O)[O-])CC1 ZINC000820095594 955466028 /nfs/dbraw/zinc/46/60/28/955466028.db2.gz JIESZAROCLUTFZ-JHJMLUEUSA-N -1 1 311.382 0.702 20 50 DCGDMM Cc1ccc(C(=O)NNC(=O)CN(CCC(=O)[O-])C(C)C)cc1 ZINC000738513331 978550580 /nfs/dbraw/zinc/55/05/80/978550580.db2.gz JOFWONQZYZXEBW-UHFFFAOYSA-N -1 1 321.377 0.941 20 50 DCGDMM COc1cccc(NNC(=O)CCc2ocnc2C(=O)[O-])n1 ZINC001599680091 994964751 /nfs/dbraw/zinc/96/47/51/994964751.db2.gz XQTBBOCJJPYIRJ-UHFFFAOYSA-N -1 1 306.278 0.852 20 50 DCGDMM C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000828441646 601532688 /nfs/dbraw/zinc/53/26/88/601532688.db2.gz RMRITOYKGFHAJW-BXKDBHETSA-N -1 1 323.324 0.239 20 50 DCGDMM Cc1cccc(C(=O)NNC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000832962978 601915050 /nfs/dbraw/zinc/91/50/50/601915050.db2.gz IOMHOTWNPMDBEN-MRXNPFEDSA-N -1 1 319.361 0.553 20 50 DCGDMM C[C@]1(C(=O)[O-])CCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1 ZINC000828024563 601950632 /nfs/dbraw/zinc/95/06/32/601950632.db2.gz RYNANIFNJYOULC-HNNXBMFYSA-N -1 1 323.324 0.383 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000830828484 603882716 /nfs/dbraw/zinc/88/27/16/603882716.db2.gz BRLPLIWPYPVUMK-NSHDSACASA-N -1 1 316.314 0.305 20 50 DCGDMM O=C([O-])NCC(=O)NNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000834202883 605457913 /nfs/dbraw/zinc/45/79/13/605457913.db2.gz AMFPQDNHUVJHQC-UHFFFAOYSA-N -1 1 322.233 0.370 20 50 DCGDMM O=C([O-])NCCC(=O)NNC(=O)c1sccc1OC(F)F ZINC000834228683 605842998 /nfs/dbraw/zinc/84/29/98/605842998.db2.gz NTNPJHVJZHMMTL-UHFFFAOYSA-N -1 1 323.277 0.768 20 50 DCGDMM O=C([O-])NCCCC(=O)NNC(=O)c1[nH]nc2ccccc21 ZINC000834232863 605980134 /nfs/dbraw/zinc/98/01/34/605980134.db2.gz ZUOCPLPIHKLMKZ-UHFFFAOYSA-N -1 1 305.294 0.372 20 50 DCGDMM Cc1cccc(C(=O)NNC(=O)CN[C@H](C(=O)[O-])C(C)C)c1 ZINC001611194727 970931981 /nfs/dbraw/zinc/93/19/81/970931981.db2.gz LOFXEVFDSMCRAN-ZDUSSCGKSA-N -1 1 307.350 0.455 20 50 DCGDMM Cc1nc(CC(=O)NN=Cc2ccc(-c3nnn[n-]3)o2)cs1 ZINC000822437328 946093446 /nfs/dbraw/zinc/09/34/46/946093446.db2.gz ZBHHDXONJMRBEQ-UHFFFAOYSA-N -1 1 317.334 0.917 20 50 DCGDMM Cc1nc(CC(=O)NN=Cc2ccc(-c3nn[n-]n3)o2)cs1 ZINC000822437328 946093456 /nfs/dbraw/zinc/09/34/56/946093456.db2.gz ZBHHDXONJMRBEQ-UHFFFAOYSA-N -1 1 317.334 0.917 20 50 DCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001603003128 972053268 /nfs/dbraw/zinc/05/32/68/972053268.db2.gz XUHJOBCAKJZQOM-WOPDTQHZSA-N -1 1 313.398 0.611 20 50 DCGDMM Cc1cc(CC(=O)NNC(=O)C=Cc2ccc(C(=O)[O-])o2)[nH]n1 ZINC001594300648 957904571 /nfs/dbraw/zinc/90/45/71/957904571.db2.gz SPMQBUUTBUEALX-HWKANZROSA-N -1 1 318.289 0.413 20 50 DCGDMM CCC[C@@](C)(NCC(=O)NNC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000736965970 978369790 /nfs/dbraw/zinc/36/97/90/978369790.db2.gz XYYCRMBGAMKRDB-MRXNPFEDSA-N -1 1 321.377 0.989 20 50 DCGDMM C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001594584777 986468636 /nfs/dbraw/zinc/46/86/36/986468636.db2.gz MOYJOBPJBSHSKR-RNCFNFMXSA-N -1 1 322.340 0.355 20 50 DCGDMM Cc1ccc(C(=O)NNC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000832912120 601523677 /nfs/dbraw/zinc/52/36/77/601523677.db2.gz VEAIKMTZFGRBAD-WCQYABFASA-N -1 1 319.361 0.409 20 50 DCGDMM CN(CC(=O)NNC(=O)C1CC1)C1CCC(NC(=O)[O-])CC1 ZINC000828107723 603834769 /nfs/dbraw/zinc/83/47/69/603834769.db2.gz CEMDRGFKYNFJCS-UHFFFAOYSA-N -1 1 312.370 0.054 20 50 DCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cocn2)o1 ZINC000735940120 944725278 /nfs/dbraw/zinc/72/52/78/944725278.db2.gz WFUNFFHVBGBZIF-UHFFFAOYSA-N -1 1 304.270 0.723 20 50 DCGDMM CCC[C@@](C)(O)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000821009333 945611839 /nfs/dbraw/zinc/61/18/39/945611839.db2.gz OYARBPLEWUXNHB-CYBMUJFWSA-N -1 1 323.357 0.972 20 50 DCGDMM CCC[C@](C)(O)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000821009335 945612320 /nfs/dbraw/zinc/61/23/20/945612320.db2.gz OYARBPLEWUXNHB-ZDUSSCGKSA-N -1 1 323.357 0.972 20 50 DCGDMM Cc1cc(CC(=O)NNC(=O)C=Cc2ccc(C(=O)[O-])o2)[nH]n1 ZINC001594300651 957904244 /nfs/dbraw/zinc/90/42/44/957904244.db2.gz SPMQBUUTBUEALX-HYXAFXHYSA-N -1 1 318.289 0.413 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)NCCSCC(=O)[O-] ZINC000738892269 978607758 /nfs/dbraw/zinc/60/77/58/978607758.db2.gz GMKVDCOJCJAHLK-UHFFFAOYSA-N -1 1 318.380 0.213 20 50 DCGDMM Cc1ncsc1C(=O)NNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000830828483 603882871 /nfs/dbraw/zinc/88/28/71/603882871.db2.gz BRLPLIWPYPVUMK-LLVKDONJSA-N -1 1 316.314 0.305 20 50 DCGDMM CC[C@H](NC(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1O ZINC000827524366 605157027 /nfs/dbraw/zinc/15/70/27/605157027.db2.gz IIADHZZMIOMAEQ-QMMMGPOBSA-N -1 1 315.713 0.853 20 50 DCGDMM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)[C@@H](C)CN1CCOCC1 ZINC000833801820 605624991 /nfs/dbraw/zinc/62/49/91/605624991.db2.gz MGFUAKDZNGCMHG-WDEREUQCSA-N -1 1 314.386 0.493 20 50 DCGDMM O=C([O-])NCCCC(=O)NNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000834230719 605976447 /nfs/dbraw/zinc/97/64/47/605976447.db2.gz BTDVYTXJGJMFOO-UHFFFAOYSA-N -1 1 323.284 0.511 20 50 DCGDMM CC(=NNC(=O)c1cnn(C)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953632 608094491 /nfs/dbraw/zinc/09/44/91/608094491.db2.gz JQFQNTDINALCQA-UHFFFAOYSA-N -1 1 316.350 0.816 20 50 DCGDMM O=C(CC1CCCC1)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737815631 945131606 /nfs/dbraw/zinc/13/16/06/945131606.db2.gz ZECUIYKCUCZFDQ-UHFFFAOYSA-N -1 1 315.337 0.603 20 50 DCGDMM O=C(CC1CCCC1)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737815631 945131610 /nfs/dbraw/zinc/13/16/10/945131610.db2.gz ZECUIYKCUCZFDQ-UHFFFAOYSA-N -1 1 315.337 0.603 20 50 DCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)N1CCOCC1 ZINC000823273371 946377904 /nfs/dbraw/zinc/37/79/04/946377904.db2.gz KZRMRJRDCGSVJD-UHFFFAOYSA-N -1 1 307.339 0.304 20 50 DCGDMM Cc1cc(CC(=O)NNC(=O)c2cc(C)cc(C(=O)[O-])c2)[nH]n1 ZINC001594288588 957799822 /nfs/dbraw/zinc/79/98/22/957799822.db2.gz YSQNCWAINDCJMH-UHFFFAOYSA-N -1 1 316.317 0.728 20 50 DCGDMM Cc1nc(C(C)(C)C)sc1C(=O)NNC(=O)CNC(=O)[O-] ZINC000833912318 605472154 /nfs/dbraw/zinc/47/21/54/605472154.db2.gz GURPRIIGLMQLEG-UHFFFAOYSA-N -1 1 314.367 0.778 20 50 DCGDMM O=C([O-])N1CCC(NC(=O)NN=C2CCN3CCC[C@@H]23)CC1 ZINC000834045246 606006429 /nfs/dbraw/zinc/00/64/29/606006429.db2.gz NIOIIIHDPBNREM-LBPRGKRZSA-N -1 1 309.370 0.652 20 50 DCGDMM COCC1(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CC1 ZINC000826152505 609450376 /nfs/dbraw/zinc/45/03/76/609450376.db2.gz BPEADIDJAMSHGT-UHFFFAOYSA-N -1 1 321.341 0.848 20 50 DCGDMM