smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821056802 945625056 /nfs/dbraw/zinc/62/50/56/945625056.db2.gz XQHZAMLNYUYYTQ-NTMALXAHSA-N -1 1 316.390 2.142 20 50 DEGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)c1ccc(F)cc1 ZINC000822796145 946182933 /nfs/dbraw/zinc/18/29/33/946182933.db2.gz MJQJOHRBTQAPHT-JXMROGBWSA-N -1 1 309.260 2.389 20 50 DEGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)c1ccc(F)cc1 ZINC000822796145 946182943 /nfs/dbraw/zinc/18/29/43/946182943.db2.gz MJQJOHRBTQAPHT-JXMROGBWSA-N -1 1 309.260 2.389 20 50 DEGDMM O=C(CCC1CCCCC1)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822950281 946230965 /nfs/dbraw/zinc/23/09/65/946230965.db2.gz IJWJHDFUZZEVRS-UHFFFAOYSA-N -1 1 316.365 2.270 20 50 DEGDMM O=C(CCC1CCCCC1)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822950281 946230980 /nfs/dbraw/zinc/23/09/80/946230980.db2.gz IJWJHDFUZZEVRS-UHFFFAOYSA-N -1 1 316.365 2.270 20 50 DEGDMM O=C([O-])c1ccc(C(=O)NNc2ccnc3ccccc32)cc1 ZINC000740110539 955257809 /nfs/dbraw/zinc/25/78/09/955257809.db2.gz YCCJQIHIPQDNPX-UHFFFAOYSA-N -1 1 307.309 2.112 20 50 DEGDMM CC(C)c1ncc[nH]c1=NNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001603110193 972189013 /nfs/dbraw/zinc/18/90/13/972189013.db2.gz VWXUDMQQBGZDNP-UHFFFAOYSA-N -1 1 320.393 2.180 20 50 DEGDMM C[C@@H](C(=O)NNc1ccc(C(=O)[O-])cc1F)N1CCCCCC1 ZINC001589422387 986664794 /nfs/dbraw/zinc/66/47/94/986664794.db2.gz GDYXBCCUQSDHRC-NSHDSACASA-N -1 1 323.368 2.232 20 50 DEGDMM CC(C)c1nccnc1NNC(=O)Nc1ccccc1C(=O)[O-] ZINC001588975807 962696564 /nfs/dbraw/zinc/69/65/64/962696564.db2.gz CNAKWLWQRFMUDW-UHFFFAOYSA-N -1 1 315.333 2.447 20 50 DEGDMM C[C@H](C(=O)NNc1ccc(C(=O)[O-])cc1F)N1CCCCCC1 ZINC001589422386 986664674 /nfs/dbraw/zinc/66/46/74/986664674.db2.gz GDYXBCCUQSDHRC-LLVKDONJSA-N -1 1 323.368 2.232 20 50 DEGDMM CC(C)(C(=O)NNc1cccc(C(=O)[O-])c1)N1CCCCC1 ZINC001589574776 987349713 /nfs/dbraw/zinc/34/97/13/987349713.db2.gz LAULOTATUZMQNQ-UHFFFAOYSA-N -1 1 305.378 2.092 20 50 DEGDMM COc1ccc(=NNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)[nH]c1 ZINC001599597463 993767825 /nfs/dbraw/zinc/76/78/25/993767825.db2.gz TXVUEKNJEWRMMO-UHFFFAOYSA-N -1 1 320.280 2.076 20 50 DEGDMM CC[C@@H](C)[C@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825051485 609151295 /nfs/dbraw/zinc/15/12/95/609151295.db2.gz QCRIWLSMYVTWTF-BDAKNGLRSA-N -1 1 321.385 2.103 20 50 DEGDMM CCC(C)=C(C)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825050309 609214937 /nfs/dbraw/zinc/21/49/37/609214937.db2.gz HTHTUGFJYFQCMY-CMDGGOBGSA-N -1 1 319.369 2.168 20 50 DEGDMM CCCCOC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821071948 945630624 /nfs/dbraw/zinc/63/06/24/945630624.db2.gz OKTLLJQAUGEDNG-VQHVLOKHSA-N -1 1 303.347 2.178 20 50 DEGDMM Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822362455 946069493 /nfs/dbraw/zinc/06/94/93/946069493.db2.gz UFPDEJYNNKOSKJ-FLIBITNWSA-N -1 1 320.312 2.314 20 50 DEGDMM Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822362455 946069514 /nfs/dbraw/zinc/06/95/14/946069514.db2.gz UFPDEJYNNKOSKJ-FLIBITNWSA-N -1 1 320.312 2.314 20 50 DEGDMM CC(C)c1nccnc1NNC(=O)c1coc(C=CC(=O)[O-])c1 ZINC001603109898 972186938 /nfs/dbraw/zinc/18/69/38/972186938.db2.gz OAPMUDPRBQKMRE-ARJAWSKDSA-N -1 1 316.317 2.048 20 50 DEGDMM CCCN1CCCC[C@H]1C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001595909603 982997607 /nfs/dbraw/zinc/99/76/07/982997607.db2.gz NWMPJSPONLJHRH-HNNXBMFYSA-N -1 1 319.405 2.021 20 50 DEGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)Nc1ccccc1F ZINC000822795770 946177324 /nfs/dbraw/zinc/17/73/24/946177324.db2.gz GUKPFRGDNBXJJB-CLFYSBASSA-N -1 1 324.275 2.144 20 50 DEGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)Nc1ccccc1F ZINC000822795770 946177332 /nfs/dbraw/zinc/17/73/32/946177332.db2.gz GUKPFRGDNBXJJB-CLFYSBASSA-N -1 1 324.275 2.144 20 50 DEGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)c1nc2ccccc2[nH]1 ZINC000822796166 946183411 /nfs/dbraw/zinc/18/34/11/946183411.db2.gz MNXSUTOECPWXFU-CLFYSBASSA-N -1 1 303.285 2.400 20 50 DEGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)c1nc2ccccc2[nH]1 ZINC000822796166 946183417 /nfs/dbraw/zinc/18/34/17/946183417.db2.gz MNXSUTOECPWXFU-CLFYSBASSA-N -1 1 303.285 2.400 20 50 DEGDMM CC(C)(C(=O)NNc1cccc(C(=O)[O-])c1F)N1CCCCC1 ZINC001589574721 987348728 /nfs/dbraw/zinc/34/87/28/987348728.db2.gz HPEFOHNHHGMQTI-UHFFFAOYSA-N -1 1 323.368 2.232 20 50 DEGDMM Cc1cc2cc(C(=O)NNC(=O)[O-])oc2c(Br)c1 ZINC000833898909 605969419 /nfs/dbraw/zinc/96/94/19/605969419.db2.gz WWRSRIHTEKWABU-UHFFFAOYSA-N -1 1 313.107 2.416 20 50 DEGDMM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC000822324148 946054493 /nfs/dbraw/zinc/05/44/93/946054493.db2.gz WPTKRYDXEBONQB-FLIBITNWSA-N -1 1 320.312 2.314 20 50 DEGDMM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822324148 946054505 /nfs/dbraw/zinc/05/45/05/946054505.db2.gz WPTKRYDXEBONQB-FLIBITNWSA-N -1 1 320.312 2.314 20 50 DEGDMM O=C([O-])c1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)cc1 ZINC000821544222 955516364 /nfs/dbraw/zinc/51/63/64/955516364.db2.gz KZCVVPWECPWJBX-UHFFFAOYSA-N -1 1 324.292 2.206 20 50 DEGDMM COc1ccc(=NNC(=O)Nc2cc(C(=O)[O-])ccc2F)[nH]c1 ZINC001599597507 993767615 /nfs/dbraw/zinc/76/76/15/993767615.db2.gz WRPHMOREYDODQD-UHFFFAOYSA-N -1 1 320.280 2.076 20 50 DEGDMM CCCCCCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821056514 945626083 /nfs/dbraw/zinc/62/60/83/945626083.db2.gz SZBAUMMFRDCERA-PKNBQFBNSA-N -1 1 314.349 2.063 20 50 DEGDMM CCCCCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821056514 945626091 /nfs/dbraw/zinc/62/60/91/945626091.db2.gz SZBAUMMFRDCERA-PKNBQFBNSA-N -1 1 314.349 2.063 20 50 DEGDMM CN(N=Cc1ccc(-c2nn[n-]n2)s1)C(=O)OC(C)(C)C ZINC000821619500 945748242 /nfs/dbraw/zinc/74/82/42/945748242.db2.gz ZXZMUFCNQWPWOG-UHFFFAOYSA-N -1 1 308.367 2.129 20 50 DEGDMM CC(C)c1nccnc1NNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001603109539 972185370 /nfs/dbraw/zinc/18/53/70/972185370.db2.gz BPBOLRJXRLHIEQ-UHFFFAOYSA-N -1 1 315.333 2.447 20 50 DEGDMM Cc1c(C(=O)NNc2ccc(CC(=O)[O-])cc2)ccc2cncn21 ZINC001599982464 986183545 /nfs/dbraw/zinc/18/35/45/986183545.db2.gz VWBIFQDPXUPKJE-UHFFFAOYSA-N -1 1 324.340 2.027 20 50 DEGDMM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NNc1ncc(Cl)cc1Cl ZINC001589218800 956748440 /nfs/dbraw/zinc/74/84/40/956748440.db2.gz DOGYSYCHNMFBCL-LBPRGKRZSA-N -1 1 318.160 2.332 20 50 DEGDMM O=C(NNc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823281396 606523902 /nfs/dbraw/zinc/52/39/02/606523902.db2.gz RQMMVXZXMIUHAZ-UHFFFAOYSA-N -1 1 320.765 2.339 20 50 DEGDMM O=C(NNc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823281396 606523904 /nfs/dbraw/zinc/52/39/04/606523904.db2.gz RQMMVXZXMIUHAZ-UHFFFAOYSA-N -1 1 320.765 2.339 20 50 DEGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)OC1CCCCC1 ZINC000822796480 946185410 /nfs/dbraw/zinc/18/54/10/946185410.db2.gz SKCWCSUESZYBKD-CSKARUKUSA-N -1 1 313.317 2.243 20 50 DEGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)OC1CCCCC1 ZINC000822796480 946185416 /nfs/dbraw/zinc/18/54/16/946185416.db2.gz SKCWCSUESZYBKD-CSKARUKUSA-N -1 1 313.317 2.243 20 50 DEGDMM O=C([O-])c1cccc(C(=O)NNc2ccnc3ccccc32)c1 ZINC000740215612 955258442 /nfs/dbraw/zinc/25/84/42/955258442.db2.gz FYUKFLVYPCYPSE-UHFFFAOYSA-N -1 1 307.309 2.112 20 50 DEGDMM O=C([O-])NNC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000834251784 605599666 /nfs/dbraw/zinc/59/96/66/605599666.db2.gz UDDZHSKBXKJDDZ-UHFFFAOYSA-N -1 1 315.207 2.273 20 50 DEGDMM CCC(CC)CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000820893564 945584469 /nfs/dbraw/zinc/58/44/69/945584469.db2.gz QUJVUQWRGYNPLZ-UHFFFAOYSA-N -1 1 321.385 2.248 20 50 DEGDMM O=C([O-])c1ccc(C(=O)NNc2nccnc2C2CCC2)cc1 ZINC001606478648 973957374 /nfs/dbraw/zinc/95/73/74/973957374.db2.gz LHTKJVXHCGJMOO-UHFFFAOYSA-N -1 1 312.329 2.199 20 50 DEGDMM C[C@H](CBr)CN(C)Cc1ccc(C(=O)[O-])cn1 ZINC001592213520 977273314 /nfs/dbraw/zinc/27/33/14/977273314.db2.gz YSIVELXBEGIOKG-SECBINFHSA-N -1 1 301.184 2.243 20 50 DEGDMM COc1cccc(NNC(=O)Nc2cc(C(=O)[O-])sc2C)n1 ZINC001599679894 994962089 /nfs/dbraw/zinc/96/20/89/994962089.db2.gz NICRZWRYMBFLJF-UHFFFAOYSA-N -1 1 322.346 2.307 20 50 DEGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)c1nc2ccccc2[nH]1 ZINC000822796171 946181639 /nfs/dbraw/zinc/18/16/39/946181639.db2.gz MNXSUTOECPWXFU-VQHVLOKHSA-N -1 1 303.285 2.400 20 50 DEGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)c1nc2ccccc2[nH]1 ZINC000822796171 946181644 /nfs/dbraw/zinc/18/16/44/946181644.db2.gz MNXSUTOECPWXFU-VQHVLOKHSA-N -1 1 303.285 2.400 20 50 DEGDMM CCc1cc(C(=O)[O-])ccc1NC(=O)NN=c1ncc(F)c[nH]1 ZINC001597463760 987893710 /nfs/dbraw/zinc/89/37/10/987893710.db2.gz DQMODHAABRTLTM-UHFFFAOYSA-N -1 1 319.296 2.025 20 50 DEGDMM CCC(C)=C(C)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825050311 609214657 /nfs/dbraw/zinc/21/46/57/609214657.db2.gz HTHTUGFJYFQCMY-HJWRWDBZSA-N -1 1 319.369 2.168 20 50 DEGDMM CCC(=CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)CC ZINC000820831882 945565723 /nfs/dbraw/zinc/56/57/23/945565723.db2.gz DXLODDTVNRSVMU-UHFFFAOYSA-N -1 1 319.369 2.168 20 50 DEGDMM CCCCOC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821071947 945630238 /nfs/dbraw/zinc/63/02/38/945630238.db2.gz OKTLLJQAUGEDNG-CLFYSBASSA-N -1 1 303.347 2.178 20 50 DEGDMM CCCN1CCCC[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001595909615 982997518 /nfs/dbraw/zinc/99/75/18/982997518.db2.gz OHIVKZVAGOZIHC-HNNXBMFYSA-N -1 1 319.405 2.401 20 50 DEGDMM CN(C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC000821569835 945719023 /nfs/dbraw/zinc/71/90/23/945719023.db2.gz XMFPDXLVCUYCFQ-PKNBQFBNSA-N -1 1 320.312 2.030 20 50 DEGDMM CN(C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC000821569835 945719027 /nfs/dbraw/zinc/71/90/27/945719027.db2.gz XMFPDXLVCUYCFQ-PKNBQFBNSA-N -1 1 320.312 2.030 20 50 DEGDMM CC(C)c1ncc[nH]c1=NNC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001603109618 972186336 /nfs/dbraw/zinc/18/63/36/972186336.db2.gz JBNGQRVBWMJVIQ-UHFFFAOYSA-N -1 1 320.393 2.468 20 50 DEGDMM CCC(CC)(CNC(=O)NNc1ccc(Cl)cn1)C(=O)[O-] ZINC001595070363 979338768 /nfs/dbraw/zinc/33/87/68/979338768.db2.gz MERGZGRDDDKGAY-UHFFFAOYSA-N -1 1 314.773 2.252 20 50 DEGDMM C=C(CBr)CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001588606339 983697290 /nfs/dbraw/zinc/69/72/90/983697290.db2.gz XPMVCCQZMKJDAW-VIFPVBQESA-N -1 1 316.117 2.277 20 50 DEGDMM O=C([O-])C1(C(=O)NNc2ncc(Cl)cc2Cl)CCC1 ZINC001605935729 972876799 /nfs/dbraw/zinc/87/67/99/972876799.db2.gz RGBSXZKIHFJNPT-UHFFFAOYSA-N -1 1 304.133 2.086 20 50 DEGDMM COc1ccc(=NNC(=O)Nc2ccc(C(=O)[O-])cc2F)[nH]c1 ZINC001599597859 993771641 /nfs/dbraw/zinc/77/16/41/993771641.db2.gz FBEJQRXHWSWIPR-UHFFFAOYSA-N -1 1 320.280 2.076 20 50 DEGDMM O=C([O-])CCCCC(=O)NNc1ncc(Cl)cc1Cl ZINC001595032777 951383031 /nfs/dbraw/zinc/38/30/31/951383031.db2.gz VKPKQSGAWFXDPT-UHFFFAOYSA-N -1 1 306.149 2.477 20 50 DEGDMM O=C(NNc1ccccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000826449354 607377801 /nfs/dbraw/zinc/37/78/01/607377801.db2.gz OFZQBTHHFOGXAU-UHFFFAOYSA-N -1 1 320.765 2.339 20 50 DEGDMM O=C(NNc1ccccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000826449354 607377803 /nfs/dbraw/zinc/37/78/03/607377803.db2.gz OFZQBTHHFOGXAU-UHFFFAOYSA-N -1 1 320.765 2.339 20 50 DEGDMM Cc1[nH]c(C(=O)NNc2nccnc2C(C)C)c(C)c1C(=O)[O-] ZINC001599953760 985653887 /nfs/dbraw/zinc/65/38/87/985653887.db2.gz JSDBYKNJFIJDNA-UHFFFAOYSA-N -1 1 317.349 2.000 20 50 DEGDMM Cc1ccccc1C(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822345649 946062113 /nfs/dbraw/zinc/06/21/13/946062113.db2.gz NYMLHODEEBXBGB-UHFFFAOYSA-N -1 1 312.358 2.001 20 50 DEGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccccc1 ZINC000822796451 946185105 /nfs/dbraw/zinc/18/51/05/946185105.db2.gz RMHJXKGPSTXSFZ-NTMALXAHSA-N -1 1 322.353 2.474 20 50 DEGDMM COc1ccc(=NNC(=O)Nc2cc(C(=O)[O-])sc2C)[nH]c1 ZINC001599597295 993765263 /nfs/dbraw/zinc/76/52/63/993765263.db2.gz POTJOVHNMUVOTH-UHFFFAOYSA-N -1 1 322.346 2.307 20 50 DEGDMM CC(=NNC(=O)CC(C)(C)C)c1ccc(-c2nn[n-]n2)s1 ZINC000823948245 608093973 /nfs/dbraw/zinc/09/39/73/608093973.db2.gz IRSDDDOSEZLMEH-UHFFFAOYSA-N -1 1 306.395 2.205 20 50 DEGDMM CCCCCCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821056513 945624585 /nfs/dbraw/zinc/62/45/85/945624585.db2.gz SZBAUMMFRDCERA-LUAWRHEFSA-N -1 1 314.349 2.063 20 50 DEGDMM CCCCCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821056513 945624594 /nfs/dbraw/zinc/62/45/94/945624594.db2.gz SZBAUMMFRDCERA-LUAWRHEFSA-N -1 1 314.349 2.063 20 50 DEGDMM CC(C)[C@H](C(=O)[O-])C(=O)NNc1ncc(Cl)cc1Cl ZINC001602970495 971975061 /nfs/dbraw/zinc/97/50/61/971975061.db2.gz VMMBENXIXQOHCZ-QMMMGPOBSA-N -1 1 306.149 2.188 20 50 DEGDMM O=C([O-])[C@@H](C(=O)NN=c1[nH]ccnc1C1CCC1)C1CCCC1 ZINC001594835034 954020638 /nfs/dbraw/zinc/02/06/38/954020638.db2.gz AUGIGXXUEDIRPZ-GFCCVEGCSA-N -1 1 318.377 2.078 20 50 DEGDMM CC(C)(C(=O)NNc1ccc(C(=O)[O-])c(F)c1)N1CCCCC1 ZINC001589574949 987350403 /nfs/dbraw/zinc/35/04/03/987350403.db2.gz PIWVCXJPPNONDQ-UHFFFAOYSA-N -1 1 323.368 2.232 20 50 DEGDMM CN(C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC000821569834 945719112 /nfs/dbraw/zinc/71/91/12/945719112.db2.gz XMFPDXLVCUYCFQ-LUAWRHEFSA-N -1 1 320.312 2.030 20 50 DEGDMM CN(C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC000821569834 945719116 /nfs/dbraw/zinc/71/91/16/945719116.db2.gz XMFPDXLVCUYCFQ-LUAWRHEFSA-N -1 1 320.312 2.030 20 50 DEGDMM CCCCCCN(C)CC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001595708892 982287538 /nfs/dbraw/zinc/28/75/38/982287538.db2.gz KFOAVHAHLAPLPP-UHFFFAOYSA-N -1 1 307.394 2.340 20 50 DEGDMM C[C@@H](c1ccc(C(=O)[O-])o1)N1C[C@@H]2[C@@H](Br)[C@@H]2C1 ZINC001593689471 996132910 /nfs/dbraw/zinc/13/29/10/996132910.db2.gz IMWHUJQPAJYERL-LITAXDCLSA-N -1 1 300.152 2.364 20 50 DEGDMM CC[C@H](C)[C@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825051487 609151073 /nfs/dbraw/zinc/15/10/73/609151073.db2.gz QCRIWLSMYVTWTF-IUCAKERBSA-N -1 1 321.385 2.103 20 50 DEGDMM COc1ccc(=NNC(=O)Nc2cc(C(=O)[O-])ccc2C)[nH]c1 ZINC001599597535 993768491 /nfs/dbraw/zinc/76/84/91/993768491.db2.gz XTYBPSHCYDJQIW-UHFFFAOYSA-N -1 1 316.317 2.245 20 50 DEGDMM COc1cccc(NNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)n1 ZINC001599679716 994959138 /nfs/dbraw/zinc/95/91/38/994959138.db2.gz DMTIVEQKUYHAIP-UHFFFAOYSA-N -1 1 316.317 2.245 20 50 DEGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)c1ccccc1F ZINC000822795418 946172612 /nfs/dbraw/zinc/17/26/12/946172612.db2.gz AENJKKJRXXLSSL-VQHVLOKHSA-N -1 1 309.260 2.389 20 50 DEGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)c1ccccc1F ZINC000822795418 946172617 /nfs/dbraw/zinc/17/26/17/946172617.db2.gz AENJKKJRXXLSSL-VQHVLOKHSA-N -1 1 309.260 2.389 20 50 DEGDMM O=C([O-])[C@@H]1CC[C@H](C(=O)NNc2cc(C(F)(F)F)ccn2)C1 ZINC001574578753 962092102 /nfs/dbraw/zinc/09/21/02/962092102.db2.gz NULSGSPOWJNGBB-JGVFFNPUSA-N -1 1 317.267 2.044 20 50 DEGDMM C[C@H](c1ccc(C(=O)[O-])o1)N1C[C@@H]2[C@@H](Br)[C@@H]2C1 ZINC001593689470 996132860 /nfs/dbraw/zinc/13/28/60/996132860.db2.gz IMWHUJQPAJYERL-LEQIOUOKSA-N -1 1 300.152 2.364 20 50 DEGDMM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)c1cc2ccccc2o1 ZINC000833454980 605110820 /nfs/dbraw/zinc/11/08/20/605110820.db2.gz ZIIBQAJWBPLSNW-UHFFFAOYSA-N -1 1 318.329 2.085 20 50 DEGDMM CCC[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N(C)C ZINC000833648886 605249377 /nfs/dbraw/zinc/24/93/77/605249377.db2.gz ZPBXOITXDHVQQC-GFCCVEGCSA-N -1 1 313.785 2.212 20 50 DEGDMM Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000822242359 946028977 /nfs/dbraw/zinc/02/89/77/946028977.db2.gz JESAGYOGFGVHDH-DHZHZOJOSA-N -1 1 320.312 2.314 20 50 DEGDMM Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000822242359 946028981 /nfs/dbraw/zinc/02/89/81/946028981.db2.gz JESAGYOGFGVHDH-DHZHZOJOSA-N -1 1 320.312 2.314 20 50 DEGDMM CC(C)(C(=O)NNc1cccc(F)c1C(=O)[O-])N1CCCCC1 ZINC001589574812 987349218 /nfs/dbraw/zinc/34/92/18/987349218.db2.gz MZCAINIBVAKEEG-UHFFFAOYSA-N -1 1 323.368 2.232 20 50 DEGDMM CC(=NNC(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)s1 ZINC000823948129 608091303 /nfs/dbraw/zinc/09/13/03/608091303.db2.gz DKYMJHNYOMAFEO-UHFFFAOYSA-N -1 1 308.367 2.177 20 50 DEGDMM O=C([O-])c1occc1C=NNC(=O)c1ccc(O)c(Cl)c1 ZINC000739455350 978641200 /nfs/dbraw/zinc/64/12/00/978641200.db2.gz ZBZPYOHEBMQJGV-UHFFFAOYSA-N -1 1 308.677 2.101 20 50 DEGDMM Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000822242360 946030465 /nfs/dbraw/zinc/03/04/65/946030465.db2.gz JESAGYOGFGVHDH-FLIBITNWSA-N -1 1 320.312 2.314 20 50 DEGDMM Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000822242360 946030477 /nfs/dbraw/zinc/03/04/77/946030477.db2.gz JESAGYOGFGVHDH-FLIBITNWSA-N -1 1 320.312 2.314 20 50 DEGDMM CCCN1CCCC[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001595909083 982993908 /nfs/dbraw/zinc/99/39/08/982993908.db2.gz BWYBBPQHKYCLMP-AWEZNQCLSA-N -1 1 305.378 2.092 20 50 DEGDMM COc1cccc(NNC(=O)Nc2ccc(C(=O)[O-])cc2F)n1 ZINC000820871301 955481554 /nfs/dbraw/zinc/48/15/54/955481554.db2.gz WTJPECWBMCADBC-UHFFFAOYSA-N -1 1 320.280 2.076 20 50 DEGDMM C=C(CBr)CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001588606338 983697394 /nfs/dbraw/zinc/69/73/94/983697394.db2.gz XPMVCCQZMKJDAW-SECBINFHSA-N -1 1 316.117 2.277 20 50 DEGDMM CC(C)[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N(C)C ZINC000833465554 605243769 /nfs/dbraw/zinc/24/37/69/605243769.db2.gz MFDYEZGCMSKPSF-GFCCVEGCSA-N -1 1 313.785 2.068 20 50 DEGDMM CCCC1(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CC1 ZINC000821028628 945618094 /nfs/dbraw/zinc/61/80/94/945618094.db2.gz XOVRREFZOFGPCG-UHFFFAOYSA-N -1 1 319.369 2.002 20 50 DEGDMM CCC(CC)(C(=O)[O-])C(=O)NNC(=O)c1cc2ccccc2o1 ZINC001589476142 954960075 /nfs/dbraw/zinc/96/00/75/954960075.db2.gz ZXMRPPDMLQIFHU-UHFFFAOYSA-N -1 1 318.329 2.085 20 50 DEGDMM Cc1cccc2nc(C(C#N)=Cc3cc(C(=O)[O-])nn3C)[nH]c21 ZINC001605347485 973245953 /nfs/dbraw/zinc/24/59/53/973245953.db2.gz NQUJBYHVZSHCTM-POHAHGRESA-N -1 1 307.313 2.367 20 50 DEGDMM CCC(C)(C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000820847392 945569686 /nfs/dbraw/zinc/56/96/86/945569686.db2.gz CZLRHRFIIKVOOL-UHFFFAOYSA-N -1 1 321.385 2.248 20 50 DEGDMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNc1nccnc1C(C)C ZINC001599957155 985708334 /nfs/dbraw/zinc/70/83/34/985708334.db2.gz GTHKWZIRAYDHBK-UHFFFAOYSA-N -1 1 317.349 2.000 20 50 DEGDMM COc1cccc(NNC(=O)Nc2cccc(C(=O)[O-])c2C)n1 ZINC001599679962 994962460 /nfs/dbraw/zinc/96/24/60/994962460.db2.gz QYIKRSBLWGQADN-UHFFFAOYSA-N -1 1 316.317 2.245 20 50 DEGDMM Cc1ccc(F)c(NNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822239872 946027157 /nfs/dbraw/zinc/02/71/57/946027157.db2.gz IPIZKFXUPXGBIX-UHFFFAOYSA-N -1 1 318.337 2.133 20 50 DEGDMM Cc1ccc(F)c(NNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822239872 946027167 /nfs/dbraw/zinc/02/71/67/946027167.db2.gz IPIZKFXUPXGBIX-UHFFFAOYSA-N -1 1 318.337 2.133 20 50 DEGDMM CC(C)c1ncc[nH]c1=NNC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001592039789 976762350 /nfs/dbraw/zinc/76/23/50/976762350.db2.gz OJRGNIIVLXKBIJ-UHFFFAOYSA-N -1 1 318.377 2.078 20 50 DEGDMM COc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821854847 945885261 /nfs/dbraw/zinc/88/52/61/945885261.db2.gz XVOYYZMIUKJFCE-DHZHZOJOSA-N -1 1 321.296 2.258 20 50 DEGDMM COc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821854847 945885276 /nfs/dbraw/zinc/88/52/76/945885276.db2.gz XVOYYZMIUKJFCE-DHZHZOJOSA-N -1 1 321.296 2.258 20 50 DEGDMM CCCN1CCCC[C@@H]1C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001595909616 982997332 /nfs/dbraw/zinc/99/73/32/982997332.db2.gz OHIVKZVAGOZIHC-OAHLLOKOSA-N -1 1 319.405 2.401 20 50 DEGDMM Cc1cc(F)ccc1NNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826268585 607393087 /nfs/dbraw/zinc/39/30/87/607393087.db2.gz CZMWUHKEWNRHAZ-UHFFFAOYSA-N -1 1 318.337 2.133 20 50 DEGDMM Cc1cc(F)ccc1NNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826268585 607393089 /nfs/dbraw/zinc/39/30/89/607393089.db2.gz CZMWUHKEWNRHAZ-UHFFFAOYSA-N -1 1 318.337 2.133 20 50 DEGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CCC2CCC2)o1 ZINC000820201937 945371766 /nfs/dbraw/zinc/37/17/66/945371766.db2.gz CMDZSDQMWZGYGN-UHFFFAOYSA-N -1 1 319.369 2.002 20 50 DEGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)Nc1ccccc1 ZINC000822795599 946174126 /nfs/dbraw/zinc/17/41/26/946174126.db2.gz CZOQFOWHSKKJNM-CSKARUKUSA-N -1 1 306.285 2.005 20 50 DEGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)Nc1ccccc1 ZINC000822795599 946174134 /nfs/dbraw/zinc/17/41/34/946174134.db2.gz CZOQFOWHSKKJNM-CSKARUKUSA-N -1 1 306.285 2.005 20 50 DEGDMM Cc1cc(C(=O)[O-])cc(C(=O)NNc2ccnc3ccccc32)c1 ZINC001594288189 957794486 /nfs/dbraw/zinc/79/44/86/957794486.db2.gz CRRJDOUNJJVFBF-UHFFFAOYSA-N -1 1 321.336 2.420 20 50 DEGDMM Cc1cc(NC(=O)NN=c2ccc(C#N)c[nH]2)ccc1C(=O)[O-] ZINC001594323269 958139530 /nfs/dbraw/zinc/13/95/30/958139530.db2.gz RNURHEUXFPDLOC-UHFFFAOYSA-N -1 1 311.301 2.109 20 50 DEGDMM CCCN1CCCC[C@@H]1C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001595909604 982997308 /nfs/dbraw/zinc/99/73/08/982997308.db2.gz NWMPJSPONLJHRH-OAHLLOKOSA-N -1 1 319.405 2.021 20 50 DEGDMM CCC[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N(C)C ZINC000833648887 605249413 /nfs/dbraw/zinc/24/94/13/605249413.db2.gz ZPBXOITXDHVQQC-LBPRGKRZSA-N -1 1 313.785 2.212 20 50 DEGDMM CC(=NNC(=O)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953881 608091847 /nfs/dbraw/zinc/09/18/47/608091847.db2.gz UCHCHSFPXIMCHN-UHFFFAOYSA-N -1 1 312.358 2.082 20 50 DEGDMM COc1ccccc1C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821882544 945893802 /nfs/dbraw/zinc/89/38/02/945893802.db2.gz DJFFTWIQHAGOHK-CSKARUKUSA-N -1 1 321.296 2.258 20 50 DEGDMM COc1ccccc1C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821882544 945893813 /nfs/dbraw/zinc/89/38/13/945893813.db2.gz DJFFTWIQHAGOHK-CSKARUKUSA-N -1 1 321.296 2.258 20 50 DEGDMM O=C([O-])[C@H](C(=O)NN=c1[nH]ccnc1C1CCC1)C1CCCC1 ZINC001594835035 954020378 /nfs/dbraw/zinc/02/03/78/954020378.db2.gz AUGIGXXUEDIRPZ-LBPRGKRZSA-N -1 1 318.377 2.078 20 50 DEGDMM COc1cccc(NNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)n1 ZINC001604871089 974117943 /nfs/dbraw/zinc/11/79/43/974117943.db2.gz IHFDDXVMYGOQNO-UHFFFAOYSA-N -1 1 316.317 2.245 20 50 DEGDMM CCCN1CCCC[C@H]1C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001595909400 982995689 /nfs/dbraw/zinc/99/56/89/982995689.db2.gz KSEASNDEJRWWDV-AWEZNQCLSA-N -1 1 323.368 2.232 20 50 DEGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)Nc1ccccc1F ZINC000822795776 946177861 /nfs/dbraw/zinc/17/78/61/946177861.db2.gz GUKPFRGDNBXJJB-VQHVLOKHSA-N -1 1 324.275 2.144 20 50 DEGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)Nc1ccccc1F ZINC000822795776 946177872 /nfs/dbraw/zinc/17/78/72/946177872.db2.gz GUKPFRGDNBXJJB-VQHVLOKHSA-N -1 1 324.275 2.144 20 50 DEGDMM Cc1[nH]c(C(=O)NNc2ccnc3ccccc32)c(C)c1C(=O)[O-] ZINC000738155034 978487701 /nfs/dbraw/zinc/48/77/01/978487701.db2.gz ANQPRNHJFJEAIH-UHFFFAOYSA-N -1 1 324.340 2.057 20 50 DEGDMM Cc1ccc(C)c(NNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826284693 607381683 /nfs/dbraw/zinc/38/16/83/607381683.db2.gz BPLYXRUFSUNZKH-UHFFFAOYSA-N -1 1 314.374 2.302 20 50 DEGDMM Cc1ccc(C)c(NNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826284693 607381685 /nfs/dbraw/zinc/38/16/85/607381685.db2.gz BPLYXRUFSUNZKH-UHFFFAOYSA-N -1 1 314.374 2.302 20 50 DEGDMM CC[C@H](C)[C@@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825051486 609151436 /nfs/dbraw/zinc/15/14/36/609151436.db2.gz QCRIWLSMYVTWTF-DTWKUNHWSA-N -1 1 321.385 2.103 20 50 DEGDMM CC[C@@H](C(=O)NN=Cc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC000820843405 945570666 /nfs/dbraw/zinc/57/06/66/945570666.db2.gz YBURWUXKIYTSSM-CYBMUJFWSA-N -1 1 324.344 2.104 20 50 DEGDMM CC[C@@H](C(=O)NN=Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC000820843405 945570671 /nfs/dbraw/zinc/57/06/71/945570671.db2.gz YBURWUXKIYTSSM-CYBMUJFWSA-N -1 1 324.344 2.104 20 50 DEGDMM Cn1c2ccccc2nc1C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822596886 946133055 /nfs/dbraw/zinc/13/30/55/946133055.db2.gz XWUKTPJZEDGQHJ-CSKARUKUSA-N -1 1 317.312 2.411 20 50 DEGDMM Cn1c2ccccc2nc1C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822596886 946133061 /nfs/dbraw/zinc/13/30/61/946133061.db2.gz XWUKTPJZEDGQHJ-CSKARUKUSA-N -1 1 317.312 2.411 20 50 DEGDMM CCCN1CCCC[C@@H]1C(=O)NNc1ccccc1C(=O)[O-] ZINC001595909853 983000221 /nfs/dbraw/zinc/00/02/21/983000221.db2.gz VGTRVSGKTGHJHE-CQSZACIVSA-N -1 1 305.378 2.092 20 50 DEGDMM O=C([O-])c1cccc(C(=O)NNC(=O)c2cc3ccccc3o2)c1 ZINC000821549536 955519457 /nfs/dbraw/zinc/51/94/57/955519457.db2.gz LDVOATVRUQXJGV-UHFFFAOYSA-N -1 1 324.292 2.206 20 50 DEGDMM O=C([O-])c1ccccc1CC(=O)NNc1ccnc2ccccc21 ZINC001594709741 956867714 /nfs/dbraw/zinc/86/77/14/956867714.db2.gz KSAVHTNSRIENJZ-UHFFFAOYSA-N -1 1 321.336 2.041 20 50 DEGDMM COc1ccccc1C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821882545 945894192 /nfs/dbraw/zinc/89/41/92/945894192.db2.gz DJFFTWIQHAGOHK-NTMALXAHSA-N -1 1 321.296 2.258 20 50 DEGDMM COc1ccccc1C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821882545 945894201 /nfs/dbraw/zinc/89/42/01/945894201.db2.gz DJFFTWIQHAGOHK-NTMALXAHSA-N -1 1 321.296 2.258 20 50 DEGDMM O=C([O-])C1(C(=O)NNc2ncc(Cl)cc2Cl)CC=CC1 ZINC001594868123 954323891 /nfs/dbraw/zinc/32/38/91/954323891.db2.gz YZKWKSXVEUUWTE-UHFFFAOYSA-N -1 1 316.144 2.253 20 50 DEGDMM O=C(NNc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826447415 607466005 /nfs/dbraw/zinc/46/60/05/607466005.db2.gz DYEUBRUWFGWZGT-UHFFFAOYSA-N -1 1 320.765 2.339 20 50 DEGDMM O=C(NNc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826447415 607466006 /nfs/dbraw/zinc/46/60/06/607466006.db2.gz DYEUBRUWFGWZGT-UHFFFAOYSA-N -1 1 320.765 2.339 20 50 DEGDMM CCc1n[nH]c(Cl)c1C(=O)NNc1ccc(C)c(C(=O)[O-])c1 ZINC001597645391 988663596 /nfs/dbraw/zinc/66/35/96/988663596.db2.gz ZXLQNHNNBZZLHS-UHFFFAOYSA-N -1 1 322.752 2.389 20 50 DEGDMM COc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821854848 945883564 /nfs/dbraw/zinc/88/35/64/945883564.db2.gz XVOYYZMIUKJFCE-FLIBITNWSA-N -1 1 321.296 2.258 20 50 DEGDMM COc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821854848 945883576 /nfs/dbraw/zinc/88/35/76/945883576.db2.gz XVOYYZMIUKJFCE-FLIBITNWSA-N -1 1 321.296 2.258 20 50 DEGDMM CC[C@H](C(=O)NN=Cc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC000820843406 945570520 /nfs/dbraw/zinc/57/05/20/945570520.db2.gz YBURWUXKIYTSSM-ZDUSSCGKSA-N -1 1 324.344 2.104 20 50 DEGDMM CC[C@H](C(=O)NN=Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC000820843406 945570525 /nfs/dbraw/zinc/57/05/25/945570525.db2.gz YBURWUXKIYTSSM-ZDUSSCGKSA-N -1 1 324.344 2.104 20 50 DEGDMM CC(C)c1ncc[nH]c1=NNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001592039559 976762612 /nfs/dbraw/zinc/76/26/12/976762612.db2.gz MTTAGJHMHOIMOF-UHFFFAOYSA-N -1 1 320.393 2.468 20 50 DEGDMM CC(=NNC(=O)Cc1cc(C)n[nH]1)[C@H](C)CCCCC(=O)[O-] ZINC000814787175 978885193 /nfs/dbraw/zinc/88/51/93/978885193.db2.gz JKKJCQIXMNLQCE-SNVBAGLBSA-N -1 1 308.382 2.034 20 50 DEGDMM CC(=NNC(=O)CCC(C)C)c1ccc(-c2nn[n-]n2)s1 ZINC000823948299 608094133 /nfs/dbraw/zinc/09/41/33/608094133.db2.gz JTLPAVNXJLBKQO-UHFFFAOYSA-N -1 1 306.395 2.205 20 50 DEGDMM CC1(C)C[C@]1(C(=O)[O-])C(=O)NNc1ncc(Cl)cc1Cl ZINC001589218798 956748458 /nfs/dbraw/zinc/74/84/58/956748458.db2.gz DOGYSYCHNMFBCL-GFCCVEGCSA-N -1 1 318.160 2.332 20 50 DEGDMM N#Cc1cccc(NNC(=O)c2ccc(NC(=O)[O-])cc2O)c1 ZINC000833977001 605763482 /nfs/dbraw/zinc/76/34/82/605763482.db2.gz UAMJQCAMXVIFPN-UHFFFAOYSA-N -1 1 312.285 2.111 20 50 DEGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)Nc1ccc(F)cc1 ZINC000822796492 946184633 /nfs/dbraw/zinc/18/46/33/946184633.db2.gz SUXZVIMNVCMROD-CLFYSBASSA-N -1 1 324.275 2.144 20 50 DEGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)Nc1ccc(F)cc1 ZINC000822796492 946184636 /nfs/dbraw/zinc/18/46/36/946184636.db2.gz SUXZVIMNVCMROD-CLFYSBASSA-N -1 1 324.275 2.144 20 50 DEGDMM CC(C)c1nccnc1NNC(=O)c1coc(C=CC(=O)[O-])c1 ZINC001603109899 972187254 /nfs/dbraw/zinc/18/72/54/972187254.db2.gz OAPMUDPRBQKMRE-ONEGZZNKSA-N -1 1 316.317 2.048 20 50 DEGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C=CC(C)(C)C)o1 ZINC000735939775 944722502 /nfs/dbraw/zinc/72/25/02/944722502.db2.gz SJYITAFGXPIWCM-VOTSOKGWSA-N -1 1 319.369 2.024 20 50 DEGDMM O=C([O-])C1CCC(=NNC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000738506647 955243678 /nfs/dbraw/zinc/24/36/78/955243678.db2.gz FVMDMXYDNAIBPE-UHFFFAOYSA-N -1 1 310.737 2.406 20 50 DEGDMM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NN=c1ccc(Cl)c[nH]1 ZINC001589205011 956659299 /nfs/dbraw/zinc/65/92/99/956659299.db2.gz FYMFULFGPUCYLI-UHFFFAOYSA-N -1 1 311.769 2.315 20 50 DEGDMM CC(=NNC(=O)Cc1cc(C)n[nH]1)[C@@H](C)CCCCC(=O)[O-] ZINC000814787174 978884645 /nfs/dbraw/zinc/88/46/45/978884645.db2.gz JKKJCQIXMNLQCE-JTQLQIEISA-N -1 1 308.382 2.034 20 50 DEGDMM CCCN1CCCC[C@@H]1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001595909085 982993987 /nfs/dbraw/zinc/99/39/87/982993987.db2.gz BWYBBPQHKYCLMP-CQSZACIVSA-N -1 1 305.378 2.092 20 50 DEGDMM COc1cccc(NNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)n1 ZINC001599679845 994961033 /nfs/dbraw/zinc/96/10/33/994961033.db2.gz LKSVFNQSVZWTET-UHFFFAOYSA-N -1 1 320.280 2.076 20 50 DEGDMM CN(C)Cc1ccsc1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833689591 605775111 /nfs/dbraw/zinc/77/51/11/605775111.db2.gz JQKKIFQREKWCAK-UHFFFAOYSA-N -1 1 319.386 2.265 20 50 DEGDMM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC000822324147 946054236 /nfs/dbraw/zinc/05/42/36/946054236.db2.gz WPTKRYDXEBONQB-DHZHZOJOSA-N -1 1 320.312 2.314 20 50 DEGDMM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822324147 946054248 /nfs/dbraw/zinc/05/42/48/946054248.db2.gz WPTKRYDXEBONQB-DHZHZOJOSA-N -1 1 320.312 2.314 20 50 DEGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccccc1 ZINC000822796450 946184969 /nfs/dbraw/zinc/18/49/69/946184969.db2.gz RMHJXKGPSTXSFZ-CSKARUKUSA-N -1 1 322.353 2.474 20 50 DEGDMM CCCN1CCCC[C@H]1C(=O)NNc1ccccc1C(=O)[O-] ZINC001595909852 982999697 /nfs/dbraw/zinc/99/96/97/982999697.db2.gz VGTRVSGKTGHJHE-AWEZNQCLSA-N -1 1 305.378 2.092 20 50 DEGDMM CC1(C)C[C@]1(C(=O)[O-])C(=O)NNc1cc(C(F)(F)F)ccn1 ZINC001589219102 956752733 /nfs/dbraw/zinc/75/27/33/956752733.db2.gz JBUNSRKLVYXSDJ-GFCCVEGCSA-N -1 1 317.267 2.044 20 50 DEGDMM CC(C)[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N(C)C ZINC000833465555 605248987 /nfs/dbraw/zinc/24/89/87/605248987.db2.gz MFDYEZGCMSKPSF-LBPRGKRZSA-N -1 1 313.785 2.068 20 50 DEGDMM C=C(CBr)CN[C@](C)(CC(=O)[O-])c1cccnc1 ZINC001588606404 983697776 /nfs/dbraw/zinc/69/77/76/983697776.db2.gz ZZQWSINKBVVUPO-CYBMUJFWSA-N -1 1 313.195 2.312 20 50 DEGDMM Cn1c2ccccc2nc1C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822596887 946133480 /nfs/dbraw/zinc/13/34/80/946133480.db2.gz XWUKTPJZEDGQHJ-NTMALXAHSA-N -1 1 317.312 2.411 20 50 DEGDMM Cn1c2ccccc2nc1C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822596887 946133483 /nfs/dbraw/zinc/13/34/83/946133483.db2.gz XWUKTPJZEDGQHJ-NTMALXAHSA-N -1 1 317.312 2.411 20 50 DEGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)c1ccccc1F ZINC000822795417 946172086 /nfs/dbraw/zinc/17/20/86/946172086.db2.gz AENJKKJRXXLSSL-CLFYSBASSA-N -1 1 309.260 2.389 20 50 DEGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)c1ccccc1F ZINC000822795417 946172092 /nfs/dbraw/zinc/17/20/92/946172092.db2.gz AENJKKJRXXLSSL-CLFYSBASSA-N -1 1 309.260 2.389 20 50 DEGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H](C)C(C)(C)C)o1 ZINC000735939547 944722057 /nfs/dbraw/zinc/72/20/57/944722057.db2.gz RANZIIXSSUOYGN-MRVPVSSYSA-N -1 1 321.385 2.103 20 50 DEGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C2(C)CCCC2)o1 ZINC000735939742 944722655 /nfs/dbraw/zinc/72/26/55/944722655.db2.gz RDBMMOPKHLMTPZ-UHFFFAOYSA-N -1 1 319.369 2.002 20 50 DEGDMM Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822362454 946069734 /nfs/dbraw/zinc/06/97/34/946069734.db2.gz UFPDEJYNNKOSKJ-DHZHZOJOSA-N -1 1 320.312 2.314 20 50 DEGDMM Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822362454 946069742 /nfs/dbraw/zinc/06/97/42/946069742.db2.gz UFPDEJYNNKOSKJ-DHZHZOJOSA-N -1 1 320.312 2.314 20 50 DEGDMM CCC(CC)(C(=O)[O-])C(=O)NN=c1[nH]ccnc1C1CCC1 ZINC001589475627 954955588 /nfs/dbraw/zinc/95/55/88/954955588.db2.gz DESVESJIZAAQHM-UHFFFAOYSA-N -1 1 306.366 2.078 20 50 DEGDMM CC[C@@H](C)[C@@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825051488 609151522 /nfs/dbraw/zinc/15/15/22/609151522.db2.gz QCRIWLSMYVTWTF-RKDXNWHRSA-N -1 1 321.385 2.103 20 50 DEGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H](C)C(C)(C)C)o1 ZINC000735939741 944721739 /nfs/dbraw/zinc/72/17/39/944721739.db2.gz RANZIIXSSUOYGN-QMMMGPOBSA-N -1 1 321.385 2.103 20 50 DEGDMM CC(C)[C@@H](C(=O)[O-])C(=O)NNc1ncc(Cl)cc1Cl ZINC001602970494 971975146 /nfs/dbraw/zinc/97/51/46/971975146.db2.gz VMMBENXIXQOHCZ-MRVPVSSYSA-N -1 1 306.149 2.188 20 50 DEGDMM Cc1oc(C=NNC(=O)c2ccc(O)c(Cl)c2)cc1C(=O)[O-] ZINC000738970239 978611599 /nfs/dbraw/zinc/61/15/99/978611599.db2.gz SNZPZBPGLDKENR-UHFFFAOYSA-N -1 1 322.704 2.409 20 50 DEGDMM Cc1cc(C)cc(NNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826264665 607381924 /nfs/dbraw/zinc/38/19/24/607381924.db2.gz WBXLHCXIHPHYAJ-UHFFFAOYSA-N -1 1 314.374 2.302 20 50 DEGDMM Cc1cc(C)cc(NNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826264665 607381926 /nfs/dbraw/zinc/38/19/26/607381926.db2.gz WBXLHCXIHPHYAJ-UHFFFAOYSA-N -1 1 314.374 2.302 20 50 DEGDMM O=C([O-])CCCCC(=O)NNc1cc(C(F)(F)F)ccn1 ZINC001595032716 951381478 /nfs/dbraw/zinc/38/14/78/951381478.db2.gz MUUQWCWCWLCVIM-UHFFFAOYSA-N -1 1 305.256 2.189 20 50 DEGDMM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NNc1cc(C(F)(F)F)ccn1 ZINC001589219103 956752608 /nfs/dbraw/zinc/75/26/08/956752608.db2.gz JBUNSRKLVYXSDJ-LBPRGKRZSA-N -1 1 317.267 2.044 20 50 DEGDMM Cc1cccc2nc(C(C#N)=Cc3cc(C(=O)[O-])nn3C)[nH]c21 ZINC001605347487 973245757 /nfs/dbraw/zinc/24/57/57/973245757.db2.gz NQUJBYHVZSHCTM-UXBLZVDNSA-N -1 1 307.313 2.367 20 50 DEGDMM C=C(CBr)CN[C@@](C)(CC(=O)[O-])c1cccnc1 ZINC001588606406 983697757 /nfs/dbraw/zinc/69/77/57/983697757.db2.gz ZZQWSINKBVVUPO-ZDUSSCGKSA-N -1 1 313.195 2.312 20 50 DEGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)Nc1ccc(F)cc1 ZINC000822796493 946185161 /nfs/dbraw/zinc/18/51/61/946185161.db2.gz SUXZVIMNVCMROD-VQHVLOKHSA-N -1 1 324.275 2.144 20 50 DEGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)Nc1ccc(F)cc1 ZINC000822796493 946185165 /nfs/dbraw/zinc/18/51/65/946185165.db2.gz SUXZVIMNVCMROD-VQHVLOKHSA-N -1 1 324.275 2.144 20 50 DEGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C=CC(C)(C)C)o1 ZINC000735939774 944722725 /nfs/dbraw/zinc/72/27/25/944722725.db2.gz SJYITAFGXPIWCM-SREVYHEPSA-N -1 1 319.369 2.024 20 50 DEGDMM CC(C)c1nccnc1NNC(=O)c1ccc(C(=O)[O-])cc1 ZINC001588975872 962697872 /nfs/dbraw/zinc/69/78/72/962697872.db2.gz IYCUQAZLPXIOHH-UHFFFAOYSA-N -1 1 300.318 2.055 20 50 DEGDMM C[C@@H](CBr)CN(C)Cc1ccc(C(=O)[O-])cn1 ZINC001592213526 977273731 /nfs/dbraw/zinc/27/37/31/977273731.db2.gz YSIVELXBEGIOKG-VIFPVBQESA-N -1 1 301.184 2.243 20 50 DEGDMM O=C([O-])c1ccc(C(=O)NNc2ccnc3ccccc32)s1 ZINC000740110563 978669978 /nfs/dbraw/zinc/66/99/78/978669978.db2.gz YWPHVUCNJADTKL-UHFFFAOYSA-N -1 1 313.338 2.173 20 50 DEGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CCC(C)(C)C)o1 ZINC000735939390 944721758 /nfs/dbraw/zinc/72/17/58/944721758.db2.gz OWICIMYETDQRLO-UHFFFAOYSA-N -1 1 321.385 2.248 20 50 DEGDMM CCC1(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CCC1 ZINC000820945769 945594357 /nfs/dbraw/zinc/59/43/57/945594357.db2.gz VBIPIHJDVUOWOD-UHFFFAOYSA-N -1 1 319.369 2.002 20 50 DEGDMM CCCCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821056801 945625424 /nfs/dbraw/zinc/62/54/24/945625424.db2.gz XQHZAMLNYUYYTQ-CSKARUKUSA-N -1 1 316.390 2.142 20 50 DEGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)Nc1ccccc1 ZINC000822795600 946174167 /nfs/dbraw/zinc/17/41/67/946174167.db2.gz CZOQFOWHSKKJNM-NTMALXAHSA-N -1 1 306.285 2.005 20 50 DEGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)Nc1ccccc1 ZINC000822795600 946174174 /nfs/dbraw/zinc/17/41/74/946174174.db2.gz CZOQFOWHSKKJNM-NTMALXAHSA-N -1 1 306.285 2.005 20 50 DEGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)c1ccc(F)cc1 ZINC000822796147 946182265 /nfs/dbraw/zinc/18/22/65/946182265.db2.gz MJQJOHRBTQAPHT-YFHOEESVSA-N -1 1 309.260 2.389 20 50 DEGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)c1ccc(F)cc1 ZINC000822796147 946182278 /nfs/dbraw/zinc/18/22/78/946182278.db2.gz MJQJOHRBTQAPHT-YFHOEESVSA-N -1 1 309.260 2.389 20 50 DEGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)OC1CCCCC1 ZINC000822796481 946185869 /nfs/dbraw/zinc/18/58/69/946185869.db2.gz SKCWCSUESZYBKD-NTMALXAHSA-N -1 1 313.317 2.243 20 50 DEGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)OC1CCCCC1 ZINC000822796481 946185873 /nfs/dbraw/zinc/18/58/73/946185873.db2.gz SKCWCSUESZYBKD-NTMALXAHSA-N -1 1 313.317 2.243 20 50 DEGDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(CCl)c2)CC1 ZINC001592415757 978014525 /nfs/dbraw/zinc/01/45/25/978014525.db2.gz NYZNEDYLBZOPQO-LBPRGKRZSA-N -1 1 324.808 2.046 20 50 DEGDMM O=C([O-])c1ccc(C=NNC(=O)c2ccc(O)c(Cl)c2)o1 ZINC000739453543 978637835 /nfs/dbraw/zinc/63/78/35/978637835.db2.gz KNDLEXINQYVEFN-UHFFFAOYSA-N -1 1 308.677 2.101 20 50 DEGDMM CCCN1CCCC[C@@H]1C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001595909401 982995654 /nfs/dbraw/zinc/99/56/54/982995654.db2.gz KSEASNDEJRWWDV-CQSZACIVSA-N -1 1 323.368 2.232 20 50 DEGDMM CC(=NNC(=O)CC1CCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948821 608094354 /nfs/dbraw/zinc/09/43/54/608094354.db2.gz ZPXDWMUOFJMLNP-UHFFFAOYSA-N -1 1 318.406 2.349 20 50 DEGDMM O=C([O-])[C@@H]1CC[C@H](C(=O)NNc2ncc(Cl)cc2Cl)C1 ZINC001594782212 953643314 /nfs/dbraw/zinc/64/33/14/953643314.db2.gz SLGFFIHUKYSYMS-NKWVEPMBSA-N -1 1 318.160 2.332 20 50 DEGDMM O=C([O-])c1ccccc1CC(=O)NNc1ccc(Cl)cn1 ZINC001605719549 974151801 /nfs/dbraw/zinc/15/18/01/974151801.db2.gz HGNOCCNLLYCFEB-UHFFFAOYSA-N -1 1 305.721 2.119 20 50 DEGDMM