smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(Cl)cc(NNC(=O)Nc2ccccc2C(=O)[O-])n1 ZINC001611238378 970949311 /nfs/dbraw/zinc/94/93/11/970949311.db2.gz ZSOCCBSEFDQWAR-UHFFFAOYSA-N -1 0 321.724 2.285 20 50 DEGDRM CC(=Cc1ccc(F)cc1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001602736473 971425655 /nfs/dbraw/zinc/42/56/55/971425655.db2.gz WKQWUOVWTYZSGJ-MDZDMXLPSA-N -1 0 315.304 2.466 20 50 DEGDRM O=C([O-])c1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1 ZINC001595220882 949243297 /nfs/dbraw/zinc/24/32/97/949243297.db2.gz NIDHJGOYDVVMFZ-UHFFFAOYSA-N -1 0 318.716 2.113 20 50 DEGDRM O=C([O-])C1(C(=O)NNc2cc(Cl)nc(Cl)c2)CCC1 ZINC001594865599 954315699 /nfs/dbraw/zinc/31/56/99/954315699.db2.gz ZGQFOLQRYKJZSF-UHFFFAOYSA-N -1 0 304.133 2.086 20 50 DEGDRM O=C([O-])c1cccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000814684317 955355555 /nfs/dbraw/zinc/35/55/55/955355555.db2.gz MYUBWFCKXSLJOI-UHFFFAOYSA-N -1 0 313.269 2.057 20 50 DEGDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@@H](Br)C(C)(C)C)C1 ZINC000817872864 955377049 /nfs/dbraw/zinc/37/70/49/955377049.db2.gz SWWYOUVIXBTACA-OPRDCNLKSA-N -1 0 320.227 2.365 20 50 DEGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](CC)C(=O)[O-])c1C ZINC000818190470 955387144 /nfs/dbraw/zinc/38/71/44/955387144.db2.gz VJIYDLMMJWATLD-KQGZCTBQSA-N -1 0 317.389 2.401 20 50 DEGDRM CC(C)C[C@H](CNC(=O)NNc1cccc(F)c1F)C(=O)[O-] ZINC000818627984 955419693 /nfs/dbraw/zinc/41/96/93/955419693.db2.gz OIPNGQPCBUBVRF-SECBINFHSA-N -1 0 315.320 2.338 20 50 DEGDRM C[C@H](OC1CCCCCC1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589162374 956422562 /nfs/dbraw/zinc/42/25/62/956422562.db2.gz NTRRNSJCSMEIIP-NSHDSACASA-N -1 0 321.377 2.351 20 50 DEGDRM CC(C)c1nccnc1NNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001603110193 972189005 /nfs/dbraw/zinc/18/90/05/972189005.db2.gz VWXUDMQQBGZDNP-UHFFFAOYSA-N -1 0 320.393 2.180 20 50 DEGDRM Cc1cc(Br)ccc1NNC(=O)C1(C(=O)[O-])CC1 ZINC001594273324 957687222 /nfs/dbraw/zinc/68/72/22/957687222.db2.gz BTZZJWZGHMIEHO-UHFFFAOYSA-N -1 0 313.151 2.065 20 50 DEGDRM Cc1cc(C(=O)[O-])cc(C(=O)NN=c2[nH]c3ccccc3n2C)c1 ZINC001594288151 957792689 /nfs/dbraw/zinc/79/26/89/957792689.db2.gz AEOMXJMTEVUOQW-UHFFFAOYSA-N -1 0 324.340 2.337 20 50 DEGDRM O=C([O-])c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2F)cc1 ZINC001574796988 957827140 /nfs/dbraw/zinc/82/71/40/957827140.db2.gz WPKVUIQZGMPBJW-UHFFFAOYSA-N -1 0 319.248 2.189 20 50 DEGDRM Cc1cccc(NNC(=O)c2ccc(C(=O)[O-])cn2)c1Cl ZINC001594408219 958920974 /nfs/dbraw/zinc/92/09/74/958920974.db2.gz FTQLVRIXAXFGLF-UHFFFAOYSA-N -1 0 305.721 2.499 20 50 DEGDRM COc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000222385321 959812465 /nfs/dbraw/zinc/81/24/65/959812465.db2.gz HKYUSTYGQYGLBJ-UHFFFAOYSA-N -1 0 316.313 2.159 20 50 DEGDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Oc1ccc([N+](=O)[O-])c2ncccc12 ZINC001605025819 972636614 /nfs/dbraw/zinc/63/66/14/972636614.db2.gz GWJNQJVZKYPLSV-ANRSDYALSA-N -1 0 316.269 2.159 20 50 DEGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)c1cccc2ncccc21 ZINC001606528383 974032647 /nfs/dbraw/zinc/03/26/47/974032647.db2.gz CUWBELKYORPBMZ-UHFFFAOYSA-N -1 0 308.297 2.085 20 50 DEGDRM CCOc1ccc(/C=C(\C#N)C(=O)N(C)[C@H](CC)C(=O)[O-])cc1 ZINC001603860778 974363711 /nfs/dbraw/zinc/36/37/11/974363711.db2.gz HOOCNCIOXYBBKD-NRMKIYEFSA-N -1 0 316.357 2.314 20 50 DEGDRM CC(C)c1cc(C(=O)NNc2cccc(C(=O)[O-])c2F)[nH]n1 ZINC001591930410 976420305 /nfs/dbraw/zinc/42/03/05/976420305.db2.gz JQSCXUWVXZEETG-UHFFFAOYSA-N -1 0 306.297 2.127 20 50 DEGDRM CC(C)n1cnc(C(=O)NNc2cccc(F)c2C(=O)[O-])c1 ZINC001592144862 976998963 /nfs/dbraw/zinc/99/89/63/976998963.db2.gz WBTIPNVZENBTPW-UHFFFAOYSA-N -1 0 306.297 2.058 20 50 DEGDRM CC(C)COCCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736446513 978335143 /nfs/dbraw/zinc/33/51/43/978335143.db2.gz VAYCOHWXFWOSAR-UHFFFAOYSA-N -1 0 311.290 2.261 20 50 DEGDRM Cc1ccccc1C(=O)NNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738756508 978600577 /nfs/dbraw/zinc/60/05/77/978600577.db2.gz KSONQWMARPKZFS-UHFFFAOYSA-N -1 0 313.313 2.160 20 50 DEGDRM O=C([O-])c1cc(OC(=O)COc2ccccc2)ccc1[N+](=O)[O-] ZINC000739337202 978629637 /nfs/dbraw/zinc/62/96/37/978629637.db2.gz OOXLQJHGHKOJMM-UHFFFAOYSA-N -1 0 317.253 2.277 20 50 DEGDRM O=C([O-])[C@@H]1C[C@H]1C(=O)NNc1ccnc2cc(Cl)ccc21 ZINC000739549070 978644888 /nfs/dbraw/zinc/64/48/88/978644888.db2.gz RTXNLRJGJIIUSO-NXEZZACHSA-N -1 0 305.721 2.052 20 50 DEGDRM CC[C@H](C)n1nccc1C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001595028863 979154113 /nfs/dbraw/zinc/15/41/13/979154113.db2.gz RAFCAAHPGPVKEI-VIFPVBQESA-N -1 0 320.324 2.448 20 50 DEGDRM CCC[C@@H]1C[C@@H](C(=O)NNc2ccc(CC(=O)[O-])cc2)CCO1 ZINC001595620090 981684929 /nfs/dbraw/zinc/68/49/29/981684929.db2.gz WLEALDNJMDBVPF-DZGCQCFKSA-N -1 0 320.389 2.352 20 50 DEGDRM CCC[C@H]1C[C@@H](C(=O)NNc2ccc(CC(=O)[O-])cc2)CCO1 ZINC001595620093 981685383 /nfs/dbraw/zinc/68/53/83/981685383.db2.gz WLEALDNJMDBVPF-ZFWWWQNUSA-N -1 0 320.389 2.352 20 50 DEGDRM CCCC[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)[O-] ZINC001595634079 981881701 /nfs/dbraw/zinc/88/17/01/981881701.db2.gz FVUTZYXADDYFIZ-BRADTZPFSA-N -1 0 302.330 2.059 20 50 DEGDRM CC[C@H](C)[C@@H](CNC(=O)NNc1ccc(CC(=O)[O-])cc1)OC ZINC001594881827 982244856 /nfs/dbraw/zinc/24/48/56/982244856.db2.gz HISCHDZRRRJQRI-SMDDNHRTSA-N -1 0 323.393 2.001 20 50 DEGDRM CCO/C=C(/C#N)C(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001596864726 985671786 /nfs/dbraw/zinc/67/17/86/985671786.db2.gz WAGFQMKUXBZPEA-KTKRTIGZSA-N -1 0 321.358 2.031 20 50 DEGDRM C[C@H](C(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccccn1 ZINC001589423364 986677129 /nfs/dbraw/zinc/67/71/29/986677129.db2.gz MOLYESLUHKMWRG-VIFPVBQESA-N -1 0 303.293 2.166 20 50 DEGDRM C[C@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1cccc(O)c1 ZINC001589423743 986682958 /nfs/dbraw/zinc/68/29/58/986682958.db2.gz QHBHHJFCDLPFMF-NSHDSACASA-N -1 0 314.341 2.266 20 50 DEGDRM CSC1(CNC(=O)NNc2cccc(C(=O)[O-])c2)CCC1 ZINC001599785532 987914530 /nfs/dbraw/zinc/91/45/30/987914530.db2.gz NXIALXSIONFCSV-UHFFFAOYSA-N -1 0 309.391 2.297 20 50 DEGDRM CSCC[C@@H](C)NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001599795648 988093045 /nfs/dbraw/zinc/09/30/45/988093045.db2.gz SCSLERWWUFPXBG-SNVBAGLBSA-N -1 0 311.407 2.081 20 50 DEGDRM CCc1ncc(C(=O)NNc2ccc(C(=O)[O-])cc2F)s1 ZINC001597697152 988904464 /nfs/dbraw/zinc/90/44/64/988904464.db2.gz KTEOOFRYPXNUJC-UHFFFAOYSA-N -1 0 309.322 2.300 20 50 DEGDRM CCn1cc(Cl)cc1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001597895583 989758175 /nfs/dbraw/zinc/75/81/75/989758175.db2.gz PROQJPLQQQEMEP-UHFFFAOYSA-N -1 0 308.725 2.012 20 50 DEGDRM CN(C)N(C(=O)/C=C\C1CCCC1)c1nc(CC(=O)[O-])cs1 ZINC001598255624 991060755 /nfs/dbraw/zinc/06/07/55/991060755.db2.gz ISDZYHQOSFROGC-FPLPWBNLSA-N -1 0 323.418 2.326 20 50 DEGDRM COc1ccccc1NNC(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001599716153 991459470 /nfs/dbraw/zinc/45/94/70/991459470.db2.gz YQJDHFGCDPXLLI-UHFFFAOYSA-N -1 0 316.317 2.245 20 50 DEGDRM CC(C)[C@H]1C[C@H](C(=O)NNc2ccc(CC(=O)[O-])cc2)CCO1 ZINC001591073077 991539289 /nfs/dbraw/zinc/53/92/89/991539289.db2.gz RIKYPSABFAWLHN-UKRRQHHQSA-N -1 0 320.389 2.208 20 50 DEGDRM COc1ccsc1C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001599722364 991561127 /nfs/dbraw/zinc/56/11/27/991561127.db2.gz GZQMHZBIKYKZQK-UHFFFAOYSA-N -1 0 310.306 2.351 20 50 DEGDRM C[C@@H](NC(=O)NN(C)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593102524 993745755 /nfs/dbraw/zinc/74/57/55/993745755.db2.gz UXBQWGITRAPJJO-SECBINFHSA-N -1 0 320.374 2.253 20 50 DEGDRM COc1cccc(F)c1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599678059 994931409 /nfs/dbraw/zinc/93/14/09/994931409.db2.gz ZCLKLUBOTFPWGP-UHFFFAOYSA-N -1 0 322.267 2.429 20 50 DEGDRM C[C@@]1(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCCCO1 ZINC001593817072 996558262 /nfs/dbraw/zinc/55/82/62/996558262.db2.gz UQHMPCDLZLFKBR-AWEZNQCLSA-N -1 0 309.274 2.158 20 50 DEGDRM C[C@@]1(CNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)CC1(F)F ZINC001594020684 997531588 /nfs/dbraw/zinc/53/15/88/997531588.db2.gz WBSAPGWMYBEWKA-LBPRGKRZSA-N -1 0 317.267 2.195 20 50 DEGDRM COCCC1(C(=O)NNc2ccccc2C(=O)[O-])CCCC1 ZINC001599216956 997598938 /nfs/dbraw/zinc/59/89/38/997598938.db2.gz XGUAQKMIQOFINH-UHFFFAOYSA-N -1 0 306.362 2.425 20 50 DEGDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1/C(=C\C#N)c1ccc([N+](=O)[O-])cc1 ZINC001594134656 998366230 /nfs/dbraw/zinc/36/62/30/998366230.db2.gz BPDUEMHUUAUNPH-XKJFWKHASA-N -1 0 301.302 2.254 20 50 DEGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)C[C@@H](C)[C@H]1CCCO1 ZINC001599376981 998503057 /nfs/dbraw/zinc/50/30/57/998503057.db2.gz HMYBOESRLHWWFC-ZWNOBZJWSA-N -1 0 322.361 2.042 20 50 DEGDRM COC(C)(C)C[C@H](C)NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599033022 999064629 /nfs/dbraw/zinc/06/46/29/999064629.db2.gz KIGHOIKSJOIPSM-JTQLQIEISA-N -1 0 309.366 2.215 20 50 DEGDRM C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cn1 ZINC001594365258 999379547 /nfs/dbraw/zinc/37/95/47/999379547.db2.gz DTZHWDPPVQQPKL-XLFIVMGGSA-N -1 0 313.357 2.382 20 50 DEGDRM CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000827144392 600915002 /nfs/dbraw/zinc/91/50/02/600915002.db2.gz MUOIBONYGUNHJL-NXEZZACHSA-N -1 0 320.349 2.004 20 50 DEGDRM C[C@]1(C(=O)[O-])CCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C1 ZINC000827976610 601941602 /nfs/dbraw/zinc/94/16/02/601941602.db2.gz SNCRPMXEPJNWAP-OEWWAVFSSA-N -1 0 301.302 2.256 20 50 DEGDRM C[C@@H](CC(=O)[O-])C(=O)NNc1ccc(Br)cc1 ZINC000827304670 602295885 /nfs/dbraw/zinc/29/58/85/602295885.db2.gz YZALDHYJEJOHSX-ZETCQYMHSA-N -1 0 301.140 2.003 20 50 DEGDRM O=C([O-])N[C@H]1CC[C@H](C(=O)NN=c2[nH]ccc3sccc32)C1 ZINC000832278035 603622019 /nfs/dbraw/zinc/62/20/19/603622019.db2.gz MVFUXQJBIOWHAU-IUCAKERBSA-N -1 0 320.374 2.176 20 50 DEGDRM O=C([O-])NCC1(C(=O)NNc2ccc(Cl)nc2)CCCC1 ZINC000832442865 603804240 /nfs/dbraw/zinc/80/42/40/603804240.db2.gz CZKDQOPNCQTZAQ-UHFFFAOYSA-N -1 0 312.757 2.006 20 50 DEGDRM CC(C)(C(=O)NN=CC1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000823743533 603858963 /nfs/dbraw/zinc/85/89/63/603858963.db2.gz IZFGRICNDPCLLS-UHFFFAOYSA-N -1 0 317.389 2.456 20 50 DEGDRM COc1ccc(NNC(=O)c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000829484273 604222011 /nfs/dbraw/zinc/22/20/11/604222011.db2.gz QYJKETHPMLMOJG-UHFFFAOYSA-N -1 0 315.329 2.220 20 50 DEGDRM CC(=Cc1ccc(F)cc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833387102 604799986 /nfs/dbraw/zinc/79/99/86/604799986.db2.gz UTAVPWJQAROIMA-NTMALXAHSA-N -1 0 315.304 2.466 20 50 DEGDRM C[C@H]1C[C@@H](C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCC1=O ZINC000833591855 605151242 /nfs/dbraw/zinc/15/12/42/605151242.db2.gz XBEFAQNFMRUGAS-IUCAKERBSA-N -1 0 321.285 2.204 20 50 DEGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)CNc1ccc(C)cc1C ZINC000833801688 605625030 /nfs/dbraw/zinc/62/50/30/605625030.db2.gz LWTAGBYJJJNOSU-LBPRGKRZSA-N -1 0 320.393 2.254 20 50 DEGDRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NNC(=O)C(C)(C)C ZINC000833906308 605659145 /nfs/dbraw/zinc/65/91/45/605659145.db2.gz OKKMVMVAWGFKKP-UHFFFAOYSA-N -1 0 308.338 2.284 20 50 DEGDRM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NNc1ccccc1F ZINC000834150565 605717598 /nfs/dbraw/zinc/71/75/98/605717598.db2.gz POLFWHIWNRFLFE-AWEZNQCLSA-N -1 0 317.320 2.148 20 50 DEGDRM O=C([O-])N1CCCC[C@@H]1C(=O)NNc1ccc(F)c(F)c1F ZINC000834048899 605720373 /nfs/dbraw/zinc/72/03/73/605720373.db2.gz VDKUDLRSSQIUPF-SECBINFHSA-N -1 0 317.267 2.080 20 50 DEGDRM O=C([O-])N1CCC[C@H]1[C@H]1CCCC1=NNC(=O)c1ccncc1 ZINC000834045730 605721063 /nfs/dbraw/zinc/72/10/63/605721063.db2.gz TWFRLCIZFDMVAN-JSGCOSHPSA-N -1 0 316.361 2.110 20 50 DEGDRM O=C([O-])N1CCC(C(=O)NNc2cccc3c2CCCC3)CC1 ZINC000834049041 605735516 /nfs/dbraw/zinc/73/55/16/605735516.db2.gz QKCWBMOEHLLOOG-UHFFFAOYSA-N -1 0 317.389 2.399 20 50 DEGDRM C#CCOc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833366169 605736392 /nfs/dbraw/zinc/73/63/92/605736392.db2.gz JSFBZBQZUVSJLH-UHFFFAOYSA-N -1 0 310.309 2.154 20 50 DEGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cccnc1 ZINC000833521666 605739749 /nfs/dbraw/zinc/73/97/49/605739749.db2.gz PYVSNVGMCVVYKY-JTQLQIEISA-N -1 0 300.318 2.167 20 50 DEGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cccnc1 ZINC000833521667 605740055 /nfs/dbraw/zinc/74/00/55/605740055.db2.gz 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C[C@@H](NC(=O)/C(C#N)=C/c1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC000827615697 601789153 /nfs/dbraw/zinc/78/91/53/601789153.db2.gz FOVNGFGTNPQETG-LLUUXILJSA-N -1 0 309.325 2.497 20 50 DEGDRM Cc1ccc(C(=O)NNC(=O)CC2CCCC2)cc1NC(=O)[O-] ZINC000830225144 603541224 /nfs/dbraw/zinc/54/12/24/603541224.db2.gz GLYZPVYFDYLROA-UHFFFAOYSA-N -1 0 319.361 2.426 20 50 DEGDRM O=C([O-])N1CCC[C@H]1CC(=O)NNc1ccc(F)c(F)c1F ZINC000831340183 603557752 /nfs/dbraw/zinc/55/77/52/603557752.db2.gz SOZCIRCXBXVMOM-ZETCQYMHSA-N -1 0 317.267 2.080 20 50 DEGDRM CC(C)CNC(=O)/C(C#N)=C\c1cccc2c1N(C(=O)[O-])CC2 ZINC000824263106 603808221 /nfs/dbraw/zinc/80/82/21/603808221.db2.gz NYDOCIAPDOYXRM-ZSOIEALJSA-N -1 0 313.357 2.406 20 50 DEGDRM O=C([O-])N1CCc2cccc(C=NNC(=O)c3ccccc3)c21 ZINC000831736331 603818674 /nfs/dbraw/zinc/81/86/74/603818674.db2.gz JXMVWCVECNPILV-UHFFFAOYSA-N -1 0 309.325 2.491 20 50 DEGDRM Cc1ccc(C(=O)NN=Cc2cccc3c2N(C(=O)[O-])CC3)o1 ZINC000830225091 603822644 /nfs/dbraw/zinc/82/26/44/603822644.db2.gz FJHRVHVSIKEOPK-UHFFFAOYSA-N -1 0 313.313 2.392 20 50 DEGDRM O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])NNc1ccccc1 ZINC000831307616 603828218 /nfs/dbraw/zinc/82/82/18/603828218.db2.gz DMVPWUQIJFIOQM-QXMXGUDHSA-N -1 0 303.362 2.441 20 50 DEGDRM CCc1ccc(C(=O)NN=CC2CCN(C(=O)[O-])CC2)cc1 ZINC000827577633 603855832 /nfs/dbraw/zinc/85/58/32/603855832.db2.gz PIBUHGOUXUYNEY-UHFFFAOYSA-N -1 0 303.362 2.355 20 50 DEGDRM CC(C)N(CCC(=O)NNc1cccc(F)c1F)C(=O)[O-] ZINC000824341037 603931181 /nfs/dbraw/zinc/93/11/81/603931181.db2.gz CCBURPTVAXYNES-UHFFFAOYSA-N -1 0 301.293 2.186 20 50 DEGDRM CC[C@@H](Cc1ccccc1Br)C(=O)NNC(=O)[O-] ZINC000826594673 603934785 /nfs/dbraw/zinc/93/47/85/603934785.db2.gz XQAIKVUPRVUMJS-QMMMGPOBSA-N -1 0 315.167 2.317 20 50 DEGDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NNc1ccccc1C(F)(F)F ZINC000824867098 604080230 /nfs/dbraw/zinc/08/02/30/604080230.db2.gz ARQVYXCJIUGLOX-QMMMGPOBSA-N -1 0 319.283 2.394 20 50 DEGDRM CC(=NNC(=O)c1ccccc1F)[C@@H]1CCCCN1C(=O)[O-] ZINC000823532567 604085687 /nfs/dbraw/zinc/08/56/87/604085687.db2.gz KTTJHBZLAWXIEB-ZDUSSCGKSA-N -1 0 307.325 2.464 20 50 DEGDRM CC(C)(CCC(=O)NNc1cccnc1Cl)NC(=O)[O-] ZINC000823889768 604103869 /nfs/dbraw/zinc/10/38/69/604103869.db2.gz FHJWTVFLLRKQGB-UHFFFAOYSA-N -1 0 300.746 2.005 20 50 DEGDRM O=C([O-])NC1(CC(=O)NNc2cc(F)c(F)c(F)c2)CCC1 ZINC000832206425 604227145 /nfs/dbraw/zinc/22/71/45/604227145.db2.gz HOEKBNIVBWXJSO-UHFFFAOYSA-N -1 0 317.267 2.127 20 50 DEGDRM CCc1noc(C)c1C(=O)NNc1ccc(C(=O)[O-])cc1OC ZINC000833678998 604648785 /nfs/dbraw/zinc/64/87/85/604648785.db2.gz KLAYJUAROKWPFO-UHFFFAOYSA-N -1 0 319.317 2.009 20 50 DEGDRM C[C@@H]1CC(=O)CC[C@H]1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000833591230 605148749 /nfs/dbraw/zinc/14/87/49/605148749.db2.gz DIDBFERMEBCHHK-LDYMZIIASA-N -1 0 321.285 2.204 20 50 DEGDRM O=C([O-])NNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000832748376 605189123 /nfs/dbraw/zinc/18/91/23/605189123.db2.gz IJFYKUGRTQDGRR-UHFFFAOYSA-N -1 0 314.301 2.243 20 50 DEGDRM C[C@H]1CC(=O)CC[C@H]1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833592102 605243903 /nfs/dbraw/zinc/24/39/03/605243903.db2.gz IZUXXOCEUWDZFY-GZMMTYOYSA-N -1 0 324.764 2.487 20 50 DEGDRM CC(C[C@H]1CCCN1C(=O)[O-])=NNC(=O)Cc1ccsc1 ZINC000824758982 605464870 /nfs/dbraw/zinc/46/48/70/605464870.db2.gz GCTCFHNSQWRLGS-GFCCVEGCSA-N -1 0 309.391 2.315 20 50 DEGDRM O=C([O-])NCC1(C(=O)NN=c2cc(Cl)cc[nH]2)CCCC1 ZINC000834205899 605474798 /nfs/dbraw/zinc/47/47/98/605474798.db2.gz FJYJJOLUTKVHCF-UHFFFAOYSA-N -1 0 312.757 2.006 20 50 DEGDRM C[C@@H](C(=O)NNC(=O)[O-])c1cccc(C(=O)c2ccccc2)c1 ZINC000833791357 605621493 /nfs/dbraw/zinc/62/14/93/605621493.db2.gz UUAXKUXRMJBJOI-LLVKDONJSA-N -1 0 312.325 2.320 20 50 DEGDRM O=C([O-])N1[C@H](C(=O)NNc2ccccc2)C[C@H]2CCCC[C@@H]21 ZINC000834046615 605714169 /nfs/dbraw/zinc/71/41/69/605714169.db2.gz ACUYGLXNNFTCFM-XBFCOCLRSA-N -1 0 303.362 2.441 20 50 DEGDRM CC(C)Oc1cc(C(=O)NNc2cccc(C(=O)[O-])c2)ccn1 ZINC000833505399 605737093 /nfs/dbraw/zinc/73/70/93/605737093.db2.gz 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/nfs/dbraw/zinc/08/97/26/951089726.db2.gz QWDHJFWMSJMREX-UHFFFAOYSA-N -1 0 323.093 2.035 20 50 DEGDRM O=C([O-])CCCCC(=O)NNc1ccc(-c2ccccc2)nn1 ZINC001595032764 951383237 /nfs/dbraw/zinc/38/32/37/951383237.db2.gz TZBKRYBEYNJVIX-UHFFFAOYSA-N -1 0 314.345 2.232 20 50 DEGDRM CC(C)(C)c1ccc(C(=O)NN=c2[nH]cccc2C(=O)[O-])nc1 ZINC001602922922 971882488 /nfs/dbraw/zinc/88/24/88/971882488.db2.gz JPHMQHMQFUGTJA-UHFFFAOYSA-N -1 0 314.345 2.229 20 50 DEGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)Nc1ccc2[nH]ccc2c1 ZINC001594782083 953641223 /nfs/dbraw/zinc/64/12/23/953641223.db2.gz PYRZVVXIKUOISY-UHFFFAOYSA-N -1 0 311.301 2.410 20 50 DEGDRM O=C([O-])[C@@]1(C(=O)NNc2cc(F)c(F)cc2F)CC=CCC1 ZINC001594865571 954315999 /nfs/dbraw/zinc/31/59/99/954315999.db2.gz XXNVMEZGMYQNFY-AWEZNQCLSA-N -1 0 314.263 2.358 20 50 DEGDRM CC(C)[C@@H](CNC(=O)NNc1cccc(F)c1Cl)C(=O)[O-] ZINC001602985007 972013147 /nfs/dbraw/zinc/01/31/47/972013147.db2.gz NJYVIXUURDIRMA-MRVPVSSYSA-N -1 0 317.748 2.462 20 50 DEGDRM COc1ccc(C(=O)NN=C2CCC(C(=O)[O-])CC2)cc1OC ZINC000814700069 955357684 /nfs/dbraw/zinc/35/76/84/955357684.db2.gz NBTAWOAEWWMMED-UHFFFAOYSA-N -1 0 320.345 2.064 20 50 DEGDRM O=C([O-])c1cccc(C=NNC(=O)COCc2ccccc2)c1 ZINC000814855288 955364407 /nfs/dbraw/zinc/36/44/07/955364407.db2.gz KGXCOSCPKJBLTG-UHFFFAOYSA-N -1 0 312.325 2.052 20 50 DEGDRM O=C([O-])CSCC(=O)NNc1ccc(Cl)cc1Cl ZINC000821537789 955515029 /nfs/dbraw/zinc/51/50/29/955515029.db2.gz UTWOFKVDEOWQRA-UHFFFAOYSA-N -1 0 309.174 2.254 20 50 DEGDRM O=C([O-])c1cccc(C(=O)NNc2ccccc2[N+](=O)[O-])c1 ZINC000821549931 955519075 /nfs/dbraw/zinc/51/90/75/955519075.db2.gz WKYFAYOOSUJRKO-UHFFFAOYSA-N -1 0 301.258 2.050 20 50 DEGDRM O=C([O-])c1ccccc1C1CCN(S(=O)(=O)CCl)CC1 ZINC000841779402 955592681 /nfs/dbraw/zinc/59/26/81/955592681.db2.gz RYVYLGBVYNFNDP-UHFFFAOYSA-N -1 0 317.794 2.090 20 50 DEGDRM N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001594601255 956132847 /nfs/dbraw/zinc/13/28/47/956132847.db2.gz LXPFBFMKJFNZRQ-OQLLNIDSSA-N -1 0 322.320 2.314 20 50 DEGDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NNc1cc(F)c(F)c(F)c1 ZINC001589219641 956759638 /nfs/dbraw/zinc/75/96/38/956759638.db2.gz PPSIWLSTMOHXCY-CYBMUJFWSA-N -1 0 302.252 2.048 20 50 DEGDRM O=C([O-])c1ccc(C=NNC(=O)CNc2ccccc2F)cc1 ZINC000915920194 957095460 /nfs/dbraw/zinc/09/54/60/957095460.db2.gz PKCJNBWVZXGFBD-UHFFFAOYSA-N -1 0 315.304 2.086 20 50 DEGDRM COc1ccc2[nH]c(=NNC(=O)C(C)(C)C(=O)[O-])c(C)cc2c1 ZINC001594117323 958559584 /nfs/dbraw/zinc/55/95/84/958559584.db2.gz LAOICPQMBUROHV-UHFFFAOYSA-N -1 0 317.345 2.106 20 50 DEGDRM COc1cccc([C@@H](C)C(=O)NN=c2[nH]cccc2C(=O)[O-])c1 ZINC001594123365 958609102 /nfs/dbraw/zinc/60/91/02/958609102.db2.gz ICMRFLXGGFKNTO-SNVBAGLBSA-N -1 0 315.329 2.035 20 50 DEGDRM Cc1nc(C2CC2)ccc1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001594450789 959369927 /nfs/dbraw/zinc/36/99/27/959369927.db2.gz ZYKCRKFWWDAPRQ-UHFFFAOYSA-N -1 0 312.329 2.118 20 50 DEGDRM Cc1cc(NS(=O)(=O)CCCCCl)ccc1C(=O)[O-] ZINC000187579440 959507164 /nfs/dbraw/zinc/50/71/64/959507164.db2.gz BVLGDNDUJYLZQD-UHFFFAOYSA-N -1 0 305.783 2.454 20 50 DEGDRM Cc1nn(CCCl)c(C)c1C(=O)NCCCCCC(=O)[O-] ZINC000237781377 961023296 /nfs/dbraw/zinc/02/32/96/961023296.db2.gz ZNKKLAGGGLBIRC-UHFFFAOYSA-N -1 0 315.801 2.114 20 50 DEGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)Cc1cccc(Cl)c1 ZINC001574538750 961936373 /nfs/dbraw/zinc/93/63/73/961936373.db2.gz RAJZHSIULLPZBP-UHFFFAOYSA-N -1 0 305.721 2.119 20 50 DEGDRM C[C@@H](C(=O)[O-])N(C(=O)[C@@H](Br)C(C)(C)C)C1CC1 ZINC000841774005 969223449 /nfs/dbraw/zinc/22/34/49/969223449.db2.gz XNAGEDKVCSDHIO-IONNQARKSA-N -1 0 306.200 2.260 20 50 DEGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000851696243 969279503 /nfs/dbraw/zinc/27/95/03/969279503.db2.gz PCWMNCZQKWWMCS-UHFFFAOYSA-N -1 0 322.752 2.084 20 50 DEGDRM CSSCCNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000397973883 973047011 /nfs/dbraw/zinc/04/70/11/973047011.db2.gz NYEFXYQKXBUCJJ-UHFFFAOYSA-N -1 0 312.416 2.421 20 50 DEGDRM COc1cc(F)cc(NNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)c1 ZINC001604720275 973924350 /nfs/dbraw/zinc/92/43/50/973924350.db2.gz YJEGCYHSVFKAQD-UHFFFAOYSA-N -1 0 324.352 2.414 20 50 DEGDRM CC(C)[C@@H]1C[C@H]1CNC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001591853982 976146998 /nfs/dbraw/zinc/14/69/98/976146998.db2.gz TYXPNWBDUYVDMD-QWRGUYRKSA-N -1 0 309.341 2.442 20 50 DEGDRM C[C@H](OCC1CC1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736698406 978349208 /nfs/dbraw/zinc/34/92/08/978349208.db2.gz WEAJSFMDGBLNNG-QMMMGPOBSA-N -1 0 309.274 2.014 20 50 DEGDRM Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1 ZINC000738548016 978553944 /nfs/dbraw/zinc/55/39/44/978553944.db2.gz ZBSVCRKUMARRES-UHFFFAOYSA-N -1 0 302.242 2.216 20 50 DEGDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NN(C)C(=O)OC(C)(C)C ZINC000738922329 978608716 /nfs/dbraw/zinc/60/87/16/978608716.db2.gz GOCRQHJKVPNXPV-UHFFFAOYSA-N -1 0 324.381 2.175 20 50 DEGDRM O=C([O-])[C@@H](NNC(=O)c1ccccc1F)c1ccc(F)cc1 ZINC000739453271 978637267 /nfs/dbraw/zinc/63/72/67/978637267.db2.gz DVWMVSWWKQRCPL-ZDUSSCGKSA-N -1 0 306.268 2.025 20 50 DEGDRM O=C([O-])c1cc(OC(=O)C2CCSCC2)ccc1[N+](=O)[O-] ZINC000740086974 978666814 /nfs/dbraw/zinc/66/68/14/978666814.db2.gz GBNJRGGTSPQIQX-UHFFFAOYSA-N -1 0 311.315 2.342 20 50 DEGDRM CC(C)(C)c1cnc(/C(C#N)=C/c2cn(CC(=O)[O-])nn2)s1 ZINC000797406948 978833357 /nfs/dbraw/zinc/83/33/57/978833357.db2.gz ZTFHOPYHPWAKDJ-RUDMXATFSA-N -1 0 317.374 2.181 20 50 DEGDRM C[C@@H]1C(=NNC(=O)c2ccc3c(c2)OCO3)CC[C@H]1CC(=O)[O-] ZINC000814700522 978874161 /nfs/dbraw/zinc/87/41/61/978874161.db2.gz VROTULBVIZHNQM-UWVGGRQHSA-N -1 0 318.329 2.022 20 50 DEGDRM C[C@@H]1C(=NNC(=O)CNc2ccccc2F)CC[C@@H]1CC(=O)[O-] ZINC000814713878 978875042 /nfs/dbraw/zinc/87/50/42/978875042.db2.gz ZMRYZXDDULLZAH-WDEREUQCSA-N -1 0 321.352 2.231 20 50 DEGDRM C[C@@H]1C(=NNC(=O)COc2ccc(F)cc2)CC[C@H]1CC(=O)[O-] ZINC000814748177 978879767 /nfs/dbraw/zinc/87/97/67/978879767.db2.gz JAAGVVDFABEAMK-QWRGUYRKSA-N -1 0 322.336 2.198 20 50 DEGDRM C[C@@H]1C(=NNC(=O)NCCc2cccs2)CC[C@H]1CC(=O)[O-] ZINC000814818412 978888214 /nfs/dbraw/zinc/88/82/14/978888214.db2.gz QVQWMAPWAFUNSR-QWRGUYRKSA-N -1 0 323.418 2.467 20 50 DEGDRM CC[C@H](C)n1nccc1C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001595029202 979156725 /nfs/dbraw/zinc/15/67/25/979156725.db2.gz XGMVELUPAJZWGH-NSHDSACASA-N -1 0 316.361 2.238 20 50 DEGDRM CC[C@H](CSC)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001595203824 979969387 /nfs/dbraw/zinc/96/93/87/979969387.db2.gz SUZARZMFYKDQAW-MRVPVSSYSA-N -1 0 315.370 2.292 20 50 DEGDRM CCC(Cc1ccc(C(F)(F)F)cc1)=NNC(=O)C(=O)[O-] ZINC001595205225 979980115 /nfs/dbraw/zinc/98/01/15/979980115.db2.gz SALVIPWFEXWSMT-UHFFFAOYSA-N -1 0 302.252 2.215 20 50 DEGDRM CCC[C@H](OC)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595611590 981629587 /nfs/dbraw/zinc/62/95/87/981629587.db2.gz SGHNDQNWVIQVTJ-NSHDSACASA-N -1 0 300.742 2.296 20 50 DEGDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@H](Br)C(C)(C)C ZINC000909799530 981631460 /nfs/dbraw/zinc/63/14/60/981631460.db2.gz PCAHNILDQWCSMP-VGMNWLOBSA-N -1 0 306.200 2.118 20 50 DEGDRM CCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(CCl)cc1 ZINC001595834299 982733429 /nfs/dbraw/zinc/73/34/29/982733429.db2.gz ZLNHTOSWBHOSIZ-JTQLQIEISA-N -1 0 319.810 2.299 20 50 DEGDRM CC(=O)CC1(C(=O)NNc2ccc(C(=O)[O-])cc2F)CCC1 ZINC001589030801 985065298 /nfs/dbraw/zinc/06/52/98/985065298.db2.gz RDXAYLLYRDNLDO-UHFFFAOYSA-N -1 0 308.309 2.116 20 50 DEGDRM CC(=O)N[C@@H](CSCCO[Si](C)(C)C(C)(C)C)C(=O)[O-] ZINC001589160206 985498573 /nfs/dbraw/zinc/49/85/73/985498573.db2.gz WEXJWALNJBQXNG-NSHDSACASA-N -1 0 321.515 2.331 20 50 DEGDRM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001594633335 986748454 /nfs/dbraw/zinc/74/84/54/986748454.db2.gz AZFQCBCWPKHGOH-VXFNFUGZSA-N -1 0 310.325 2.027 20 50 DEGDRM CC[C@H](C(=O)NN=Cc1cc(C(=O)[O-])n(C)c1)c1ccccc1 ZINC001594737354 987280544 /nfs/dbraw/zinc/28/05/44/987280544.db2.gz UBZFJIXRMHIXJI-AWEZNQCLSA-N -1 0 313.357 2.367 20 50 DEGDRM CSCC[C@H](C)NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599795976 988097762 /nfs/dbraw/zinc/09/77/62/988097762.db2.gz YZSVZSBYTIERNR-QMMMGPOBSA-N -1 0 315.370 2.292 20 50 DEGDRM COc1ccccc1CNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599711657 991380932 /nfs/dbraw/zinc/38/09/32/991380932.db2.gz IHBUKCSUPVBSBE-UHFFFAOYSA-N -1 0 315.329 2.220 20 50 DEGDRM CC(C)CC(=O)NNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC001591111224 991766857 /nfs/dbraw/zinc/76/68/57/991766857.db2.gz GQKSRRKOGRNQNP-SNVBAGLBSA-N -1 0 324.402 2.059 20 50 DEGDRM CC(C)C[C@@H]1C[C@H]1NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001591444843 992543991 /nfs/dbraw/zinc/54/39/91/992543991.db2.gz YNPVUNOWYZBTIP-TZMCWYRMSA-N -1 0 305.378 2.374 20 50 DEGDRM COc1ccc(NC(=O)NN=Cc2cc(C)c(C(=O)[O-])[nH]2)cc1 ZINC001599593704 993721145 /nfs/dbraw/zinc/72/11/45/993721145.db2.gz DLBFMILJXUOTLY-UHFFFAOYSA-N -1 0 316.317 2.186 20 50 DEGDRM C[C@@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)c1cccnc1 ZINC001593102502 993744352 /nfs/dbraw/zinc/74/43/52/993744352.db2.gz UOCIGNHUIWIWBL-LLVKDONJSA-N -1 0 314.345 2.096 20 50 DEGDRM CC1(C)CC[C@H](C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)O1 ZINC001593874339 996689751 /nfs/dbraw/zinc/68/97/51/996689751.db2.gz LFRMYIKPTVGPGP-LLVKDONJSA-N -1 0 312.753 2.439 20 50 DEGDRM COc1ccc(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001599484327 996821536 /nfs/dbraw/zinc/82/15/36/996821536.db2.gz VSJFGJVTRRYODE-UHFFFAOYSA-N -1 0 300.314 2.459 20 50 DEGDRM COCc1ccccc1C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001599297149 997165614 /nfs/dbraw/zinc/16/56/14/997165614.db2.gz FHWIMFQLSNKWLB-UHFFFAOYSA-N -1 0 318.304 2.427 20 50 DEGDRM CO[C@H]1CC[C@H](C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC001599099068 997346473 /nfs/dbraw/zinc/34/64/73/997346473.db2.gz LPGVSXQQNRTEQS-IUCAKERBSA-N -1 0 309.274 2.014 20 50 DEGDRM COc1ccc([C@@H]2CCCCC2=NNC(=O)C(=O)[O-])cc1F ZINC001599538268 997783983 /nfs/dbraw/zinc/78/39/83/997783983.db2.gz DSJIPNROICDSOS-JTQLQIEISA-N -1 0 308.309 2.049 20 50 DEGDRM COc1cc(C(=O)[O-])ccc1NC(=O)NCC(Cl)Cl ZINC001599372739 998436961 /nfs/dbraw/zinc/43/69/61/998436961.db2.gz BIIBEBJZLCVJNB-UHFFFAOYSA-N -1 0 307.133 2.319 20 50 DEGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1ccc(C#N)s1 ZINC001599376934 998502143 /nfs/dbraw/zinc/50/21/43/998502143.db2.gz WQUWKIAOLWDUTQ-UHFFFAOYSA-N -1 0 317.326 2.083 20 50 DEGDRM C[C@H]1CC[C@H](CNC(=O)NNc2ccc(CC(=O)[O-])cc2)C1 ZINC001594305483 999179290 /nfs/dbraw/zinc/17/92/90/999179290.db2.gz PDMUETWIMYHDGQ-AAEUAGOBSA-N -1 0 305.378 2.376 20 50 DEGDRM C[C@H](CC(=O)NNc1ccnc2cc(Cl)ccc21)NC(=O)[O-] ZINC000824679581 603438792 /nfs/dbraw/zinc/43/87/92/603438792.db2.gz LEYMLAPGKYPUMR-MRVPVSSYSA-N -1 0 322.752 2.378 20 50 DEGDRM CN(NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000828434590 603821071 /nfs/dbraw/zinc/82/10/71/603821071.db2.gz GQECYQWNZYTYNE-LQDVMPOASA-N -1 0 317.389 2.465 20 50 DEGDRM C[C@@H](CC(=O)NNc1cc(Cl)ccc1Cl)NC(=O)[O-] ZINC000824679070 603838932 /nfs/dbraw/zinc/83/89/32/603838932.db2.gz HUYSHBQWFHHBGK-LURJTMIESA-N -1 0 306.149 2.483 20 50 DEGDRM CN(NC(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-])c1ccccc1 ZINC000828435052 603870271 /nfs/dbraw/zinc/87/02/71/603870271.db2.gz VZKQYQGWVCIKHP-JSGCOSHPSA-N -1 0 320.393 2.163 20 50 DEGDRM CN(C(=O)[O-])[C@H]1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1 ZINC000827830364 603971254 /nfs/dbraw/zinc/97/12/54/603971254.db2.gz UYHUIOVWWRWYTD-VYAXBHEWSA-N -1 0 316.317 2.143 20 50 DEGDRM Cc1cc(OC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000830129755 604224906 /nfs/dbraw/zinc/22/49/06/604224906.db2.gz WXQNPLNSJBQQDY-NXEZZACHSA-N -1 0 308.290 2.245 20 50 DEGDRM COc1cc(F)cc(NNC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832011434 604316958 /nfs/dbraw/zinc/31/69/58/604316958.db2.gz YECAWEKSUOWXRN-UHFFFAOYSA-N -1 0 322.267 2.429 20 50 DEGDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NN=c2nc[nH]c3ccsc32)C1 ZINC000833183881 604425244 /nfs/dbraw/zinc/42/52/44/604425244.db2.gz LNHJOSCOLPBVGX-BDAKNGLRSA-N -1 0 320.374 2.025 20 50 DEGDRM CCOC(=O)C(C#N)=CNc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000829818322 604792776 /nfs/dbraw/zinc/79/27/76/604792776.db2.gz UZRUNQMBPJZPSQ-CLFYSBASSA-N -1 0 324.720 2.186 20 50 DEGDRM O=C([O-])N1CCCc2cccc(C=NNC(=O)NCC3CC3)c21 ZINC000831633571 604827505 /nfs/dbraw/zinc/82/75/05/604827505.db2.gz GVQFCKWCNCNREE-UHFFFAOYSA-N -1 0 316.361 2.160 20 50 DEGDRM CC(C)(NC(=O)[O-])C(=O)NNc1cc(Cl)ccc1Cl ZINC000824025652 604936516 /nfs/dbraw/zinc/93/65/16/604936516.db2.gz VWPYDUJKPXGQKF-UHFFFAOYSA-N -1 0 306.149 2.483 20 50 DEGDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NNc1cccc2cnccc21 ZINC000833481123 604939074 /nfs/dbraw/zinc/93/90/74/604939074.db2.gz UHHWCDJPSJKLSH-CQSZACIVSA-N -1 0 316.361 2.360 20 50 DEGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NN=c1ccc2ccccc2[nH]1 ZINC000833479976 605236023 /nfs/dbraw/zinc/23/60/23/605236023.db2.gz OXPOIFXPLKRGBA-ZDUSSCGKSA-N -1 0 316.361 2.360 20 50 DEGDRM COc1ccc(NNC(=O)[C@@H](NC(=O)[O-])C(C)C)cc1Cl ZINC000833733662 605244880 /nfs/dbraw/zinc/24/48/80/605244880.db2.gz XEMAIELWYHMWFL-NSHDSACASA-N -1 0 315.757 2.084 20 50 DEGDRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NN=c1ccc2ccccc2[nH]1 ZINC000834172832 605325898 /nfs/dbraw/zinc/32/58/98/605325898.db2.gz NOIGWVNPUUPDSK-WCQYABFASA-N -1 0 314.345 2.114 20 50 DEGDRM O=C([O-])N1CCC[C@H]1CCC(=O)NNc1ccc(Cl)nc1 ZINC000833998625 605568349 /nfs/dbraw/zinc/56/83/49/605568349.db2.gz RWWHMTIKAYUBCW-JTQLQIEISA-N -1 0 312.757 2.101 20 50 DEGDRM O=C([O-])N1CCc2cc(NC(=O)NNc3ccccn3)ccc21 ZINC000834049421 605600867 /nfs/dbraw/zinc/60/08/67/605600867.db2.gz QYGXCQMTGJMZLZ-UHFFFAOYSA-N -1 0 313.317 2.271 20 50 DEGDRM N#Cc1ccc(NNC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)cc1 ZINC000833973788 605719065 /nfs/dbraw/zinc/71/90/65/605719065.db2.gz CQKZEGUIONVQLG-HNNXBMFYSA-N -1 0 324.340 2.053 20 50 DEGDRM CC(C)Oc1cncc(C(=O)NNc2ccccc2C(=O)[O-])c1 ZINC000833508079 605723928 /nfs/dbraw/zinc/72/39/28/605723928.db2.gz UCRFDRXCJNFVST-UHFFFAOYSA-N -1 0 315.329 2.324 20 50 DEGDRM N#CC1=CCN(C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)CC1 ZINC000833963005 605786813 /nfs/dbraw/zinc/78/68/13/605786813.db2.gz FOBYISPJTXOSHZ-OAHLLOKOSA-N -1 0 313.357 2.458 20 50 DEGDRM O=C([O-])NN=Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000834251162 606046581 /nfs/dbraw/zinc/04/65/81/606046581.db2.gz RWIIIMJKFGQTSU-UHFFFAOYSA-N -1 0 300.105 2.176 20 50 DEGDRM O=C([O-])NN=Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000834250372 606079815 /nfs/dbraw/zinc/07/98/15/606079815.db2.gz IASDGMDYKZHQLD-UHFFFAOYSA-N -1 0 300.105 2.176 20 50 DEGDRM O=C([O-])c1cccc(C(=O)NNc2ccc([N+](=O)[O-])cc2F)c1 ZINC001602433359 971194668 /nfs/dbraw/zinc/19/46/68/971194668.db2.gz RWTCGAREOBJGBU-UHFFFAOYSA-N -1 0 319.248 2.189 20 50 DEGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC001595261931 949677384 /nfs/dbraw/zinc/67/73/84/949677384.db2.gz MFXSNPMPFSFIEQ-JGVFFNPUSA-N -1 0 317.267 2.202 20 50 DEGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC001595262305 949686694 /nfs/dbraw/zinc/68/66/94/949686694.db2.gz XVIBSACBLKVFJE-LRDDRELGSA-N -1 0 315.304 2.108 20 50 DEGDRM O=C([O-])CCCNS(=O)(=O)c1ccc(CCCCl)cc1 ZINC000270429813 950518862 /nfs/dbraw/zinc/51/88/62/950518862.db2.gz SQSIGJBWPNARNW-UHFFFAOYSA-N -1 0 319.810 2.001 20 50 DEGDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NNc1ccc(C#N)c(Cl)c1 ZINC001602853187 971697823 /nfs/dbraw/zinc/69/78/23/971697823.db2.gz NARQOBGOWSENFZ-LLVKDONJSA-N -1 0 309.753 2.402 20 50 DEGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)Nc1cc(C2CC2)ccn1 ZINC001594781500 953633159 /nfs/dbraw/zinc/63/31/59/953633159.db2.gz BMMGDFUJDSCIPZ-UHFFFAOYSA-N -1 0 313.317 2.201 20 50 DEGDRM CCC(CC)(C(=O)[O-])C(=O)NNc1c(F)cc(F)cc1F ZINC001589476125 954959652 /nfs/dbraw/zinc/95/96/52/954959652.db2.gz YOQDDUHFNSRKBV-UHFFFAOYSA-N -1 0 304.268 2.438 20 50 DEGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)C(=O)[O-])c1C ZINC000737836820 955227451 /nfs/dbraw/zinc/22/74/51/955227451.db2.gz KXHWDUMUKAYRPV-ZEVOCZHWSA-N -1 0 303.362 2.011 20 50 DEGDRM Cc1c(NNC(=O)c2ccc(C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000820949232 955486220 /nfs/dbraw/zinc/48/62/20/955486220.db2.gz HMGQGZAWIXJARV-UHFFFAOYSA-N -1 0 315.285 2.358 20 50 DEGDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)CCCCCl ZINC000841782772 955592653 /nfs/dbraw/zinc/59/26/53/955592653.db2.gz FIHZIRQSFVTALQ-SRVKXCTJSA-N -1 0 323.842 2.053 20 50 DEGDRM C[C@H](CNC(=O)NNc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000848585665 955756985 /nfs/dbraw/zinc/75/69/85/955756985.db2.gz BDVXTKDLIZLUQP-ZCFIWIBFSA-N -1 0 306.149 2.340 20 50 DEGDRM O=C(/C=C\c1ccc(C(=O)[O-])o1)NNc1ccccc1[N+](=O)[O-] ZINC001594673595 956639364 /nfs/dbraw/zinc/63/93/64/956639364.db2.gz ZAVYPBAPBQJLLM-VURMDHGXSA-N -1 0 317.257 2.043 20 50 DEGDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NNc1cccnc1Cl ZINC001589206108 956665861 /nfs/dbraw/zinc/66/58/61/956665861.db2.gz SDLMNAJJCVZUAT-UHFFFAOYSA-N -1 0 311.769 2.315 20 50 DEGDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NN=c1cc(C(F)(F)F)cc[nH]1 ZINC001589219103 956752605 /nfs/dbraw/zinc/75/26/05/956752605.db2.gz JBUNSRKLVYXSDJ-LBPRGKRZSA-N -1 0 317.267 2.044 20 50 DEGDRM COc1cc(F)cc(NNC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001594059402 958083626 /nfs/dbraw/zinc/08/36/26/958083626.db2.gz MGYFXGFLLPGURU-HWKANZROSA-N -1 0 320.276 2.282 20 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