smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(N=NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000004933321 181175195 /nfs/dbraw/zinc/17/51/95/181175195.db2.gz VJBJREWSPRQOCT-UHFFFAOYSA-N -1 3 323.396 3.449 50 30 DGEAHM Cc1ccccc1/C([O-])=N\c1c(=O)n(C)n(C)c1-c1ccccc1 ZINC000016745738 182059865 /nfs/dbraw/zinc/05/98/65/182059865.db2.gz PLKLRAHGVNSTEZ-UHFFFAOYSA-N -1 3 321.380 3.336 50 30 DGEAHM Cc1ccc([C@H]2[N-]c3nonc3N=C3CC(C)(C)CC(=O)C32)o1 ZINC000021147016 182266550 /nfs/dbraw/zinc/26/65/50/182266550.db2.gz YJGKPZXKLZZIRR-CYBMUJFWSA-N -1 3 314.345 3.193 50 30 DGEAHM N=C([S-])NN=Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000000127708 431131753 /nfs/dbraw/zinc/13/17/53/431131753.db2.gz ZCUMFDMDQURMSL-VIZOYTHASA-N -1 3 324.203 3.288 50 30 in-vivo DGEAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@H]2c2cccs2)C1 ZINC000004770189 431301633 /nfs/dbraw/zinc/30/16/33/431301633.db2.gz PZDIBCCRARWWFI-LBPRGKRZSA-N -1 3 316.386 3.353 50 30 DGEAHM Cc1ccc([C@@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000018200443 431619042 /nfs/dbraw/zinc/61/90/42/431619042.db2.gz JWCLHVSAXBAUHO-ZDUSSCGKSA-N -1 3 313.357 3.217 50 30 DGEAHM Cc1ccc([C@@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000018200443 431619047 /nfs/dbraw/zinc/61/90/47/431619047.db2.gz JWCLHVSAXBAUHO-ZDUSSCGKSA-N -1 3 313.357 3.217 50 30 DGEAHM O=S(=O)(/N=C/c1c([O-])ccc2ccccc12)c1cccs1 ZINC000100766163 431982460 /nfs/dbraw/zinc/98/24/60/431982460.db2.gz TVIVJHZHPKNDAQ-MHWRWJLKSA-N -1 3 317.391 3.415 50 30 in-vitro DGEAHM COc1ccc2c(C)cc(NN=Cc3ccccc3[O-])nc2c1 ZINC000252622303 432384197 /nfs/dbraw/zinc/38/41/97/432384197.db2.gz NSBGZFQWNYKINF-UHFFFAOYSA-N -1 3 307.353 3.703 50 30 DGEAHM CCON=C(C)c1c([O-])cc(C(C)C)n(-c2ccccc2)c1=O ZINC000252623886 432384577 /nfs/dbraw/zinc/38/45/77/432384577.db2.gz PBOUEOBWUOVWNS-UHFFFAOYSA-N -1 3 314.385 3.427 50 30 DGEAHM Cn1c2ccc(N=Cc3cc(Cl)ccc3[O-])cc2nc1CO ZINC000254905731 432406183 /nfs/dbraw/zinc/40/61/83/432406183.db2.gz NBEJBFGOMFKVFM-UHFFFAOYSA-N -1 3 315.760 3.175 50 30 DGEAHM Cc1ccccc1CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024887487 525074080 /nfs/dbraw/zinc/07/40/80/525074080.db2.gz BRRNURSYNAJRRL-UHFFFAOYSA-N -1 3 318.398 3.197 50 30 DGEAHM C=CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006701643 181373445 /nfs/dbraw/zinc/37/34/45/181373445.db2.gz DNJCQZKPLYRZEV-UHFFFAOYSA-N -1 3 303.383 3.361 50 30 DGEAHM C/C(=N\[O-])c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000015774654 182016178 /nfs/dbraw/zinc/01/61/78/182016178.db2.gz XWLDZLKLDBXTSY-SFQUDFHCSA-N -1 3 316.313 3.251 50 30 DGEAHM CC1=C(C)C[C@@H](C(=O)Nc2sccc2C#N)[C@H](C(=O)[O-])C1 ZINC000017031056 182068874 /nfs/dbraw/zinc/06/88/74/182068874.db2.gz POGWQBTURVPANA-VXGBXAGGSA-N -1 3 304.371 3.005 50 30 DGEAHM COc1c(C/N=C\c2c([O-])ccc3ccccc32)c(C)nn1C ZINC000606443027 400913151 /nfs/dbraw/zinc/91/31/51/400913151.db2.gz OZVCWLGYJYSCMP-ODLFYWEKSA-N -1 3 309.369 3.215 50 30 DGEAHM COc1cc(/C=C2/COc3ccccc3C2=O)cc(OC)c1[O-] ZINC000003582466 286190442 /nfs/dbraw/zinc/19/04/42/286190442.db2.gz OGGJVVOCAQVHNF-GHXNOFRVSA-N -1 3 312.321 3.068 50 30 DGEAHM COc1cc(/C=C\C(=O)c2scnc2C)cc(OC)c1[O-] ZINC000096307342 262501380 /nfs/dbraw/zinc/50/13/80/262501380.db2.gz BIFPEDCFJPYEES-PLNGDYQASA-N -1 3 305.355 3.070 50 30 DGEAHM CC(C)(C)/C=N/[N-]S(=O)(=O)c1ccc(-c2ccccn2)s1 ZINC000000126149 431131126 /nfs/dbraw/zinc/13/11/26/431131126.db2.gz XVXLUJXDFFNEAK-MHWRWJLKSA-N -1 3 323.443 3.120 50 30 DGEAHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cccs1 ZINC000000141030 431133000 /nfs/dbraw/zinc/13/30/00/431133000.db2.gz QRYUGDWPYGZWON-NSHDSACASA-N -1 3 304.758 3.363 50 30 DGEAHM O=[N+]([O-])c1cccc(-c2nn(-c3ccccc3)cc2/C=N/[O-])c1 ZINC000000455153 431186111 /nfs/dbraw/zinc/18/61/11/431186111.db2.gz KXWVNFMVBHTROU-LICLKQGHSA-N -1 3 308.297 3.256 50 30 DGEAHM COc1cc(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)ccc1[O-] ZINC000007900624 431367651 /nfs/dbraw/zinc/36/76/51/431367651.db2.gz SMQRJEDBMSMVQN-XBXARRHUSA-N -1 3 320.348 3.483 50 30 DGEAHM Cc1ccc(OCC(=O)Nc2nnc(C(F)(F)F)[n-]2)c(C)c1 ZINC000036714139 431840648 /nfs/dbraw/zinc/84/06/48/431840648.db2.gz ISANMTSUQPRJGK-UHFFFAOYSA-N -1 3 314.267 3.107 50 30 DGEAHM Cc1ccc(OCC(=O)Nc2nc(C(F)(F)F)n[n-]2)c(C)c1 ZINC000036714139 431840649 /nfs/dbraw/zinc/84/06/49/431840649.db2.gz ISANMTSUQPRJGK-UHFFFAOYSA-N -1 3 314.267 3.107 50 30 DGEAHM Cc1ccc(/C=C\C(=O)c2ccc([N-]S(C)(=O)=O)cc2)s1 ZINC000096400972 431945428 /nfs/dbraw/zinc/94/54/28/431945428.db2.gz QONDERDRLMLETM-KTKRTIGZSA-N -1 3 321.423 3.324 50 30 DGEAHM COc1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)c(OC)c1 ZINC000096792748 431956530 /nfs/dbraw/zinc/95/65/30/431956530.db2.gz XSUOZYHRMKKNBH-YVMONPNESA-N -1 3 314.337 3.314 50 30 DGEAHM COc1ccc(C=N[O-])cc1COc1ccc(NC(C)=O)cc1 ZINC000252632607 432384866 /nfs/dbraw/zinc/38/48/66/432384866.db2.gz VUXMHRFKJSNYGO-UHFFFAOYSA-N -1 3 314.341 3.041 50 30 DGEAHM CCN(CC)c1ccc(C=Nc2ccc(C(N)=O)cc2)c([O-])c1 ZINC000252614270 432384948 /nfs/dbraw/zinc/38/49/48/432384948.db2.gz JIEAKXSYSXRZTK-UHFFFAOYSA-N -1 3 311.385 3.088 50 30 DGEAHM Cc1ccc([C@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CCC3)s1 ZINC000018200438 301847203 /nfs/dbraw/zinc/84/72/03/301847203.db2.gz OEXSQKBAXLJCSA-GFCCVEGCSA-N -1 3 301.371 3.050 50 30 DGEAHM N#Cc1ccccc1CN1CC[C@@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072447147 191168661 /nfs/dbraw/zinc/16/86/61/191168661.db2.gz MVRGUTZPIIHABE-INIZCTEOSA-N -1 3 320.392 3.321 50 30 DGEAHM N#Cc1ccccc1CN1CC[C@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072447146 191168878 /nfs/dbraw/zinc/16/88/78/191168878.db2.gz MVRGUTZPIIHABE-MRXNPFEDSA-N -1 3 320.392 3.321 50 30 DGEAHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000006316466 181329491 /nfs/dbraw/zinc/32/94/91/181329491.db2.gz RUYHVCMCVNEHCJ-UHFFFAOYSA-N -1 3 310.737 3.152 50 30 DGEAHM CCCn1c2ccc(C#N)cc2nc1-c1cc([O-])c(O)c(OC)c1 ZINC000155080784 197019304 /nfs/dbraw/zinc/01/93/04/197019304.db2.gz JVWOHSYOGMXKSL-UHFFFAOYSA-N -1 3 323.352 3.405 50 30 DGEAHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)cc(=O)[nH]1 ZINC000170593194 228267817 /nfs/dbraw/zinc/26/78/17/228267817.db2.gz RQMRZLXMJWTCTE-LLVKDONJSA-N -1 3 309.350 3.195 50 30 DGEAHM C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2[O-])SC1=S ZINC000000974915 431209954 /nfs/dbraw/zinc/20/99/54/431209954.db2.gz GUSKYYDVLCPCNX-XFFZJAGNSA-N -1 3 311.815 3.433 50 30 DGEAHM CCCc1cc(C(=O)[N-]c2sc3c(c2C#N)CCC3)no1 ZINC000002498070 431254085 /nfs/dbraw/zinc/25/40/85/431254085.db2.gz BVRIVRRUMJNENF-UHFFFAOYSA-N -1 3 301.371 3.301 50 30 aggregator DGEAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@H]2[C@@H]2CC=CCC2)C1 ZINC000012323234 431498889 /nfs/dbraw/zinc/49/88/89/431498889.db2.gz OTCFMFVWAFQUKJ-YGRLFVJLSA-N -1 3 314.389 3.275 50 30 DGEAHM COc1cc(/C=C/C(=O)c2cccc([O-])c2)cc2c1OCCO2 ZINC000012892465 431535563 /nfs/dbraw/zinc/53/55/63/431535563.db2.gz XZGIIJBYNSBRMX-AATRIKPKSA-N -1 3 312.321 3.068 50 30 biogenic DGEAHM Cc1ccc(O[C@H](C)C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000012935478 431538578 /nfs/dbraw/zinc/53/85/78/431538578.db2.gz LMCZUAPFTBXLOQ-LLVKDONJSA-N -1 3 312.329 3.429 50 30 DGEAHM Cc1ccc(O[C@H](C)C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000012935478 431538583 /nfs/dbraw/zinc/53/85/83/431538583.db2.gz LMCZUAPFTBXLOQ-LLVKDONJSA-N -1 3 312.329 3.429 50 30 DGEAHM Cc1ccc(O[C@H](C)C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000012935478 431538588 /nfs/dbraw/zinc/53/85/88/431538588.db2.gz LMCZUAPFTBXLOQ-LLVKDONJSA-N -1 3 312.329 3.429 50 30 DGEAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@@H]2[C@H]2CC=CCC2)C1 ZINC000012323231 280892294 /nfs/dbraw/zinc/89/22/94/280892294.db2.gz OTCFMFVWAFQUKJ-IINYFYTJSA-N -1 3 314.389 3.275 50 30 DGEAHM Cc1nc(C=CC([O-])=C(C#N)c2nc3ccccc3o2)cs1 ZINC000096310767 431944707 /nfs/dbraw/zinc/94/47/07/431944707.db2.gz OVMMUZYWRLPZES-DGMVEKRQSA-N -1 3 309.350 3.482 50 30 DGEAHM COC(=O)c1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)cc1 ZINC000096792759 431956594 /nfs/dbraw/zinc/95/65/94/431956594.db2.gz USYMIXNWESGWQU-UITAMQMPSA-N -1 3 312.321 3.084 50 30 DGEAHM C[C@@H](OCc1ccccc1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053527317 431964274 /nfs/dbraw/zinc/96/42/74/431964274.db2.gz DVDZKJFPDZCHBT-GFCCVEGCSA-N -1 3 323.356 3.060 50 30 DGEAHM C[C@@H](OCc1ccccc1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053527317 431964275 /nfs/dbraw/zinc/96/42/75/431964275.db2.gz DVDZKJFPDZCHBT-GFCCVEGCSA-N -1 3 323.356 3.060 50 30 DGEAHM C[C@@H](OCc1ccccc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053527317 431964277 /nfs/dbraw/zinc/96/42/77/431964277.db2.gz DVDZKJFPDZCHBT-GFCCVEGCSA-N -1 3 323.356 3.060 50 30 DGEAHM Cc1c(C(=O)Nc2nccs2)oc2c1/C(=N\[O-])CC(C)(C)C2 ZINC000100931490 431983046 /nfs/dbraw/zinc/98/30/46/431983046.db2.gz MYIJCEDVGKOHFM-NVMNQCDNSA-N -1 3 319.386 3.448 50 30 DGEAHM N#Cc1c([O-])sc2c1[nH]c(Nc1ccc(F)cc1)cc2=O ZINC000101302706 431984009 /nfs/dbraw/zinc/98/40/09/431984009.db2.gz CIRHRINPGKDVKO-UHFFFAOYSA-N -1 3 301.302 3.462 50 30 DGEAHM N#Cc1c(=O)sc2c([O-])cc(Nc3ccc(F)cc3)[nH]c1-2 ZINC000101302706 431984011 /nfs/dbraw/zinc/98/40/11/431984011.db2.gz CIRHRINPGKDVKO-UHFFFAOYSA-N -1 3 301.302 3.462 50 30 DGEAHM COC(=O)C(=N[N-]c1c(Cl)cc(Cl)cc1Cl)C(C)=O ZINC000252680183 432385368 /nfs/dbraw/zinc/38/53/68/432385368.db2.gz XCRKSDPBWCKEFS-UHFFFAOYSA-N -1 3 323.563 3.177 50 30 DGEAHM CCCSc1nnc([N-][NH+]=C(C)c2cccc(OC)c2)[n-]1 ZINC000006399856 520571420 /nfs/dbraw/zinc/57/14/20/520571420.db2.gz RDZXNAHPODMLJE-MHWRWJLKSA-N -1 3 305.407 3.152 50 30 DGEAHM CCCSc1nnc(NN=C(C)c2cccc(OC)c2)[n-]1 ZINC000006399856 520571427 /nfs/dbraw/zinc/57/14/27/520571427.db2.gz RDZXNAHPODMLJE-MHWRWJLKSA-N -1 3 305.407 3.152 50 30 DGEAHM O=C(CCc1ccccc1F)Nc1nnc(C(F)(F)F)[n-]1 ZINC000026254173 527588031 /nfs/dbraw/zinc/58/80/31/527588031.db2.gz YADVYPJGGCTJRZ-UHFFFAOYSA-N -1 3 302.231 3.183 50 30 DGEAHM O=C(CCc1ccccc1F)Nc1nc(C(F)(F)F)n[n-]1 ZINC000026254173 527588037 /nfs/dbraw/zinc/58/80/37/527588037.db2.gz YADVYPJGGCTJRZ-UHFFFAOYSA-N -1 3 302.231 3.183 50 30 DGEAHM Cc1nc(C=CC([O-])=C(C#N)c2nc3ccccc3o2)cs1 ZINC000058307373 184103876 /nfs/dbraw/zinc/10/38/76/184103876.db2.gz OVMMUZYWRLPZES-NNNHXZLVSA-N -1 3 309.350 3.482 50 30 DGEAHM COc1cc(/C=C2\COc3ccccc3C2=O)cc(OC)c1[O-] ZINC000013135446 286190399 /nfs/dbraw/zinc/19/03/99/286190399.db2.gz OGGJVVOCAQVHNF-KPKJPENVSA-N -1 3 312.321 3.068 50 30 DGEAHM O=C1c2ccccc2C(=O)N1/N=C/c1c([O-])ccc2ccccc21 ZINC000000160696 431137417 /nfs/dbraw/zinc/13/74/17/431137417.db2.gz YJBNVIVGMIPTTB-RGVLZGJSSA-N -1 3 316.316 3.176 50 30 DGEAHM COc1cccc(N2C(=O)C(=O)C(=C(C)[O-])[C@@H]2c2ccccc2)c1 ZINC000000550981 431199328 /nfs/dbraw/zinc/19/93/28/431199328.db2.gz PPHASTBVBXTKJM-KRWDZBQOSA-N -1 3 323.348 3.184 50 30 DGEAHM N#Cc1ccccc1[N-]C(=S)NC(=O)C=Cc1cccs1 ZINC000000266957 431155852 /nfs/dbraw/zinc/15/58/52/431155852.db2.gz RNLXQZMFPBOLMZ-BQYQJAHWSA-N -1 3 313.407 3.146 50 30 DGEAHM CCN(CC)c1ccc(/C=N/c2cccc(C(N)=O)c2)c([O-])c1 ZINC000000297513 431161232 /nfs/dbraw/zinc/16/12/32/431161232.db2.gz YIRATXVBHWNIGY-UDWIEESQSA-N -1 3 311.385 3.088 50 30 DGEAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2)c(C)c1 ZINC000007360414 431344035 /nfs/dbraw/zinc/34/40/35/431344035.db2.gz NUTYOYZNILHWRY-UHFFFAOYSA-N -1 3 300.383 3.284 50 30 DGEAHM Cc1csc(C(C#N)=C([O-])c2cccc(Cn3ccnc3)c2)n1 ZINC000241171032 432815598 /nfs/dbraw/zinc/81/55/98/432815598.db2.gz KDSSSXOYTCDUHS-HNNXBMFYSA-N -1 3 322.393 3.186 50 30 DGEAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@H]2c2ccccc2)C1 ZINC000012408539 500635922 /nfs/dbraw/zinc/63/59/22/500635922.db2.gz SHYPTVOAIGGIMG-AWEZNQCLSA-N -1 3 310.357 3.292 50 30 DGEAHM Cc1ccc([C@H](O)C/N=C\c2c([O-])ccc3ccccc32)cn1 ZINC000006183956 525972833 /nfs/dbraw/zinc/97/28/33/525972833.db2.gz GMXLQTFUCHPWMS-GTBBCORBSA-N -1 3 306.365 3.401 50 30 DGEAHM O=C1c2cccc([O-])c2C/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000096931914 185392397 /nfs/dbraw/zinc/39/23/97/185392397.db2.gz KMMSCCKXEWWRRV-NTCAYCPXSA-N -1 3 321.376 3.051 50 30 DGEAHM CCOc1cc(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)ccc1[O-] ZINC000071714462 191010916 /nfs/dbraw/zinc/01/09/16/191010916.db2.gz YRKOMELOFCZMOP-UHFFFAOYSA-N -1 3 320.352 3.302 50 30 DGEAHM N#Cc1ccccc1CN1CC[C@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072143642 191050145 /nfs/dbraw/zinc/05/01/45/191050145.db2.gz BGLFDFWYVCEQQO-MRXNPFEDSA-N -1 3 320.392 3.321 50 30 DGEAHM Cc1ccc2nc(C3C([O-])=CN(C4CCCCCC4)C3=N)[nH]c2c1 ZINC000005182905 181214211 /nfs/dbraw/zinc/21/42/11/181214211.db2.gz JFBINPFGDZAGQN-UHFFFAOYSA-N -1 3 324.428 3.106 50 30 DGEAHM C=CC[C@@]1(C(=O)[O-])CCCN(Cc2cncn2C2CCCC2)C1 ZINC000091616740 193079604 /nfs/dbraw/zinc/07/96/04/193079604.db2.gz RUGNLBPWTWYOQA-GOSISDBHSA-N -1 3 317.433 3.241 50 30 DGEAHM O=C(Cn1ccc2ccccc21)Nc1nnc(-c2ccccn2)[n-]1 ZINC000058322910 184105003 /nfs/dbraw/zinc/10/50/03/184105003.db2.gz KWINIKFNCUMMQP-UHFFFAOYSA-N -1 3 318.340 3.110 50 30 DGEAHM O=C(Cn1ccc2ccccc21)Nc1nc(-c2ccccn2)n[n-]1 ZINC000058322910 184105004 /nfs/dbraw/zinc/10/50/04/184105004.db2.gz KWINIKFNCUMMQP-UHFFFAOYSA-N -1 3 318.340 3.110 50 30 DGEAHM O=C(Cn1ccc2ccccc21)Nc1n[n-]c(-c2ccccn2)n1 ZINC000058322910 184105006 /nfs/dbraw/zinc/10/50/06/184105006.db2.gz KWINIKFNCUMMQP-UHFFFAOYSA-N -1 3 318.340 3.110 50 30 DGEAHM O=C(C=C([O-])C(=O)NCc1ccccc1)c1ccc(Cl)cc1 ZINC000006660503 257233995 /nfs/dbraw/zinc/23/39/95/257233995.db2.gz KPNOYUZPXJFZSA-YBEGLDIGSA-N -1 3 315.756 3.281 50 30 DGEAHM Cn1cc(/C=C\C(=O)c2cccc([O-])c2)c(-c2ccncc2)n1 ZINC000066406645 400086425 /nfs/dbraw/zinc/08/64/25/400086425.db2.gz QEKPAJFVNZRYMX-WAYWQWQTSA-N -1 3 305.337 3.084 50 30 DGEAHM C=CCc1cccc(/C=N/c2ccc3c(c2)nc(CO)n3C)c1[O-] ZINC000000198856 431144672 /nfs/dbraw/zinc/14/46/72/431144672.db2.gz NRQIQKRTVNEVMF-RGVLZGJSSA-N -1 3 321.380 3.250 50 30 DGEAHM CCCc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000069346198 431178431 /nfs/dbraw/zinc/17/84/31/431178431.db2.gz ZOTQWXABNXFVPL-INIZCTEOSA-N -1 3 322.412 3.447 50 30 DGEAHM COc1ccc(N2C(=O)C(=O)C(=C(C)[O-])[C@@H]2c2ccccc2)cc1 ZINC000000444259 431182307 /nfs/dbraw/zinc/18/23/07/431182307.db2.gz HCZLIWIDIICWKB-KRWDZBQOSA-N -1 3 323.348 3.184 50 30 DGEAHM CNC(=O)c1c(/N=C/c2ccccc2[O-])sc2c1CCCC2 ZINC000000213279 431148406 /nfs/dbraw/zinc/14/84/06/431148406.db2.gz WDUWGVLQDISJSZ-VXLYETTFSA-N -1 3 314.410 3.443 50 30 DGEAHM COc1cc(OC)c(C(=O)/C=C/c2ccccc2[O-])c(OC)c1 ZINC000004252624 431295670 /nfs/dbraw/zinc/29/56/70/431295670.db2.gz FICGIPLFVHBWRP-CMDGGOBGSA-N -1 3 314.337 3.314 50 30 DGEAHM CCOC(=O)c1c(C)[n-]nc1N=NCc1c(F)cccc1Cl ZINC000004337456 431297427 /nfs/dbraw/zinc/29/74/27/431297427.db2.gz CQUOKKWVVLUJRC-REZTVBANSA-N -1 3 324.743 3.133 50 30 DGEAHM O=C1N/C(=N\c2cccc([O-])c2)S/C1=C\c1cccc(F)c1 ZINC000006926044 431323809 /nfs/dbraw/zinc/32/38/09/431323809.db2.gz BYZGWGQKDWYQJE-ZSOIEALJSA-N -1 3 314.341 3.423 50 30 DGEAHM COc1cc(C(=O)/C=C/c2ccc(OC)c(F)c2)ccc1[O-] ZINC000007909572 431367258 /nfs/dbraw/zinc/36/72/58/431367258.db2.gz VQCCPFVVJLOQPC-ZZXKWVIFSA-N -1 3 302.301 3.445 50 30 DGEAHM O=C1[N-]/C(=N/c2ccccn2)S[C@@H]1Cc1cccc(Cl)c1 ZINC000013634289 431561775 /nfs/dbraw/zinc/56/17/75/431561775.db2.gz JTYUSBDJOYQQPJ-GFCCVEGCSA-N -1 3 317.801 3.197 50 30 DGEAHM Cc1ccc([C@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000018200441 431620068 /nfs/dbraw/zinc/62/00/68/431620068.db2.gz JWCLHVSAXBAUHO-CYBMUJFWSA-N -1 3 313.357 3.217 50 30 DGEAHM Cc1ccc([C@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000018200441 431620075 /nfs/dbraw/zinc/62/00/75/431620075.db2.gz JWCLHVSAXBAUHO-CYBMUJFWSA-N -1 3 313.357 3.217 50 30 DGEAHM Cc1ccn2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)nc2c1 ZINC000084248048 431819793 /nfs/dbraw/zinc/81/97/93/431819793.db2.gz MBNLLTLIBBCQSW-GFCCVEGCSA-N -1 3 315.336 3.009 50 30 DGEAHM COc1cc(/C=C2/Cc3ccccc3C2=O)c([N+](=O)[O-])cc1[O-] ZINC000096930329 431956204 /nfs/dbraw/zinc/95/62/04/431956204.db2.gz WIGGXKSDMYAGFT-GHXNOFRVSA-N -1 3 311.293 3.131 50 30 DGEAHM CO[C@H](C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1)c1ccccc1 ZINC000097049102 431958911 /nfs/dbraw/zinc/95/89/11/431958911.db2.gz VSYILJVOHZJKST-ZDUSSCGKSA-N -1 3 312.329 3.349 50 30 DGEAHM CO[C@H](C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1)c1ccccc1 ZINC000097049102 431958912 /nfs/dbraw/zinc/95/89/12/431958912.db2.gz VSYILJVOHZJKST-ZDUSSCGKSA-N -1 3 312.329 3.349 50 30 DGEAHM CO[C@H](C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)c1ccccc1 ZINC000097049102 431958914 /nfs/dbraw/zinc/95/89/14/431958914.db2.gz VSYILJVOHZJKST-ZDUSSCGKSA-N -1 3 312.329 3.349 50 30 DGEAHM O=C(Cc1ccc(Cl)cc1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053524606 431964203 /nfs/dbraw/zinc/96/42/03/431964203.db2.gz IHFQAGJEEYAVSG-UHFFFAOYSA-N -1 3 313.748 3.351 50 30 DGEAHM O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053524606 431964206 /nfs/dbraw/zinc/96/42/06/431964206.db2.gz IHFQAGJEEYAVSG-UHFFFAOYSA-N -1 3 313.748 3.351 50 30 DGEAHM O=C(Cc1ccc(Cl)cc1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053524606 431964207 /nfs/dbraw/zinc/96/42/07/431964207.db2.gz IHFQAGJEEYAVSG-UHFFFAOYSA-N -1 3 313.748 3.351 50 30 DGEAHM Cc1ccc(CN2CCN(N=Cc3ccccc3[O-])CC2)c(C)c1 ZINC000252320618 432375012 /nfs/dbraw/zinc/37/50/12/432375012.db2.gz FGGHCLKXAKTTDB-UHFFFAOYSA-N -1 3 323.440 3.161 50 30 DGEAHM COc1cc(/C=C\C(=O)c2cnn(C(C)C)c2)cc(OC)c1[O-] ZINC000214917272 563917355 /nfs/dbraw/zinc/91/73/55/563917355.db2.gz VLMICVCFJJNAFR-WAYWQWQTSA-N -1 3 316.357 3.083 50 30 DGEAHM C=CCOc1ccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000045702831 659030508 /nfs/dbraw/zinc/03/05/08/659030508.db2.gz RPTPBUSRPQDVRV-SFQUDFHCSA-N -1 3 305.333 3.062 50 30 DGEAHM Cc1ncc(CO)c(/C=N/c2ccc(Br)cc2)c1[O-] ZINC000005110485 181204276 /nfs/dbraw/zinc/20/42/76/181204276.db2.gz ZOGDZHAKKOQRNC-REZTVBANSA-N -1 3 321.174 3.101 50 30 DGEAHM Cc1ccc([C@@H](O)C/N=C/c2c([O-])ccc3ccccc32)cn1 ZINC000003206921 262532561 /nfs/dbraw/zinc/53/25/61/262532561.db2.gz GMXLQTFUCHPWMS-ATASCALFSA-N -1 3 306.365 3.401 50 30 DGEAHM [O-]c1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 ZINC000002392065 431251988 /nfs/dbraw/zinc/25/19/88/431251988.db2.gz TZUIBFIRWVRWST-VCHYOVAHSA-N -1 3 310.382 3.158 50 30 DGEAHM Cc1ccc([C@H](O)C/N=C/c2c([O-])ccc3ccccc32)cn1 ZINC000003206918 431286055 /nfs/dbraw/zinc/28/60/55/431286055.db2.gz GMXLQTFUCHPWMS-YBCYLVPRSA-N -1 3 306.365 3.401 50 30 DGEAHM COc1cc(C(=O)/C=C/c2ccc(OC)c(O)c2)ccc1[O-] ZINC000013137628 431547762 /nfs/dbraw/zinc/54/77/62/431547762.db2.gz ZKKWISYXRLTNAD-ZZXKWVIFSA-N -1 3 300.310 3.011 50 30 DGEAHM O=C(CCCOc1ccccc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000036744333 431841161 /nfs/dbraw/zinc/84/11/61/431841161.db2.gz JDMHUWFVUZNKCP-UHFFFAOYSA-N -1 3 314.267 3.271 50 30 DGEAHM O=C(CCCOc1ccccc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000036744333 431841163 /nfs/dbraw/zinc/84/11/63/431841163.db2.gz JDMHUWFVUZNKCP-UHFFFAOYSA-N -1 3 314.267 3.271 50 30 DGEAHM CCCC(=O)N1c2ccccc2/C(=N/c2ccccc2[O-])C1=O ZINC000085389824 431839122 /nfs/dbraw/zinc/83/91/22/431839122.db2.gz OLZURADVLJQJKA-ZPHPHTNESA-N -1 3 308.337 3.186 50 30 DGEAHM CS(=O)(=O)[N-]c1ccc(C(=O)/C=C\c2ccccc2F)cc1 ZINC000096400969 431945576 /nfs/dbraw/zinc/94/55/76/431945576.db2.gz MNGTVWSJAYTTLR-FLIBITNWSA-N -1 3 319.357 3.093 50 30 DGEAHM C[C@H](OCc1ccccc1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053527313 431963858 /nfs/dbraw/zinc/96/38/58/431963858.db2.gz DVDZKJFPDZCHBT-LBPRGKRZSA-N -1 3 323.356 3.060 50 30 DGEAHM C[C@H](OCc1ccccc1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053527313 431963862 /nfs/dbraw/zinc/96/38/62/431963862.db2.gz DVDZKJFPDZCHBT-LBPRGKRZSA-N -1 3 323.356 3.060 50 30 DGEAHM C[C@H](OCc1ccccc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053527313 431963863 /nfs/dbraw/zinc/96/38/63/431963863.db2.gz DVDZKJFPDZCHBT-LBPRGKRZSA-N -1 3 323.356 3.060 50 30 DGEAHM O=C1CCCC2=Nc3nonc3[N-][C@H](c3ccccc3Cl)C12 ZINC000012390409 304623659 /nfs/dbraw/zinc/62/36/59/304623659.db2.gz MTXKWYPIZQCHLF-CYBMUJFWSA-N -1 3 316.748 3.309 50 30 DGEAHM Cc1ccc(CSc2nncn2/N=C/c2ccccc2[O-])cc1 ZINC000000147667 524652084 /nfs/dbraw/zinc/65/20/84/524652084.db2.gz WEVGAEZVXBXVJE-VXLYETTFSA-N -1 3 324.409 3.467 50 30 DGEAHM COc1cc(-c2cc(C(C)C)nc(N)c2C#N)cc(OC)c1[O-] ZINC000067434688 432030967 /nfs/dbraw/zinc/03/09/67/432030967.db2.gz VBENTQWMXUTQPG-UHFFFAOYSA-N -1 3 313.357 3.049 50 30 DGEAHM COc1ccc(Cl)cc1/N=C/c1c([O-])c(C)ncc1CO ZINC000005110544 181204363 /nfs/dbraw/zinc/20/43/63/181204363.db2.gz BMRUOLJMCUAPPD-CNHKJKLMSA-N -1 3 306.749 3.001 50 30 DGEAHM C=CCN1C(=O)/C(=C2\c3ccccc3[N-]C2=S)SC1=S ZINC000004551687 275426560 /nfs/dbraw/zinc/42/65/60/275426560.db2.gz PFQFINBPAVCQJM-KHPPLWFESA-N -1 3 318.448 3.197 50 30 DGEAHM N#Cc1ccc(NC([O-])=NOCc2ccccc2)cc1Cl ZINC000069563855 431198056 /nfs/dbraw/zinc/19/80/56/431198056.db2.gz VSPGKJOHTRTNQJ-UHFFFAOYSA-N -1 3 301.733 3.465 50 30 DGEAHM N#Cc1ccc(NC(=O)[N-]OCc2ccccc2)cc1Cl ZINC000069563855 431198062 /nfs/dbraw/zinc/19/80/62/431198062.db2.gz VSPGKJOHTRTNQJ-UHFFFAOYSA-N -1 3 301.733 3.465 50 30 DGEAHM CC(=O)C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000000546642 431199890 /nfs/dbraw/zinc/19/98/90/431199890.db2.gz FYVLWKXURUOASA-MRXNPFEDSA-N -1 3 311.312 3.315 50 30 DGEAHM CC([O-])=C1C(=O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000000546642 431199896 /nfs/dbraw/zinc/19/98/96/431199896.db2.gz FYVLWKXURUOASA-MRXNPFEDSA-N -1 3 311.312 3.315 50 30 DGEAHM CC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000000552311 431200520 /nfs/dbraw/zinc/20/05/20/431200520.db2.gz SJWUSLOWPAJDIR-INIZCTEOSA-N -1 3 311.312 3.315 50 30 DGEAHM CC([O-])=C1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000000552311 431200526 /nfs/dbraw/zinc/20/05/26/431200526.db2.gz SJWUSLOWPAJDIR-INIZCTEOSA-N -1 3 311.312 3.315 50 30 DGEAHM Cc1c(C(=O)/C=C/c2cc(Br)ccc2[O-])cnn1C ZINC000006921742 431325318 /nfs/dbraw/zinc/32/53/18/431325318.db2.gz NLRCCVSZZRZKCJ-HWKANZROSA-N -1 3 321.174 3.093 50 30 DGEAHM CCCSc1nnc([N-][NH+]=C(C)c2cccc(OC)c2)[n-]1 ZINC000007262855 431338895 /nfs/dbraw/zinc/33/88/95/431338895.db2.gz RDZXNAHPODMLJE-YBEGLDIGSA-N -1 3 305.407 3.152 50 30 DGEAHM CCCSc1nnc(NN=C(C)c2cccc(OC)c2)[n-]1 ZINC000007262855 431338899 /nfs/dbraw/zinc/33/88/99/431338899.db2.gz RDZXNAHPODMLJE-YBEGLDIGSA-N -1 3 305.407 3.152 50 30 DGEAHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]c1sccc1C#N ZINC000008776400 431415153 /nfs/dbraw/zinc/41/51/53/431415153.db2.gz IREUZVRQTSWULI-UHFFFAOYSA-N -1 3 322.349 3.436 50 30 DGEAHM COc1ccc(/C=C2\Oc3cc(C)cc([O-])c3C2=O)cc1OC ZINC000011865205 431485556 /nfs/dbraw/zinc/48/55/56/431485556.db2.gz QBVZYMDLHMEHDY-SXGWCWSVSA-N -1 3 312.321 3.334 50 30 biogenic DGEAHM Cc1cccc2c1NC(=O)C2=N[N-]c1nncc2ccccc21 ZINC000013096886 431547796 /nfs/dbraw/zinc/54/77/96/431547796.db2.gz TUTDMNRLKPAJBY-UHFFFAOYSA-N -1 3 303.325 3.356 50 30 DGEAHM Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000036714118 431841126 /nfs/dbraw/zinc/84/11/26/431841126.db2.gz GZVKOIJGRVRXJN-QMMMGPOBSA-N -1 3 314.267 3.187 50 30 DGEAHM Cc1ccc(O[C@@H](C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000036714118 431841128 /nfs/dbraw/zinc/84/11/28/431841128.db2.gz GZVKOIJGRVRXJN-QMMMGPOBSA-N -1 3 314.267 3.187 50 30 DGEAHM O=C(CCc1cc(F)ccc1F)Nc1nnc(C(F)(F)F)[n-]1 ZINC000053797304 431965948 /nfs/dbraw/zinc/96/59/48/431965948.db2.gz IKGLMJAXNWZCLY-UHFFFAOYSA-N -1 3 320.221 3.323 50 30 DGEAHM O=C(CCc1cc(F)ccc1F)Nc1nc(C(F)(F)F)n[n-]1 ZINC000053797304 431965950 /nfs/dbraw/zinc/96/59/50/431965950.db2.gz IKGLMJAXNWZCLY-UHFFFAOYSA-N -1 3 320.221 3.323 50 30 DGEAHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccccc1C ZINC000049457985 525669986 /nfs/dbraw/zinc/66/99/86/525669986.db2.gz ONNFWURHKYZVKG-HNNXBMFYSA-N -1 3 316.364 3.374 50 30 DGEAHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(F)c2)c1 ZINC000103504078 432011196 /nfs/dbraw/zinc/01/11/96/432011196.db2.gz WSMPVEZALVSEBQ-OAHLLOKOSA-N -1 3 314.291 3.234 50 30 DGEAHM [O-]c1ccc(Cl)cc1/C=N/NC(=S)NC1CCCCC1 ZINC000004209843 181085348 /nfs/dbraw/zinc/08/53/48/181085348.db2.gz MXLLXLFCMUXESS-CXUHLZMHSA-N -1 3 311.838 3.176 50 30 DGEAHM Cc1ncc(CO)c(/C=N/c2ccccc2Br)c1[O-] ZINC000005110482 181204505 /nfs/dbraw/zinc/20/45/05/181204505.db2.gz PVPCHKMWTJWBGZ-REZTVBANSA-N -1 3 321.174 3.101 50 30 DGEAHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000043318702 183354334 /nfs/dbraw/zinc/35/43/34/183354334.db2.gz MBHWBBCYUWLGIK-UHFFFAOYSA-N -1 3 322.773 3.021 50 30 DGEAHM Cc1cc([N-]C(=O)c2occc2COc2cccc(C#N)c2)no1 ZINC000069583775 431201473 /nfs/dbraw/zinc/20/14/73/431201473.db2.gz YSENVWOMUFHLKZ-UHFFFAOYSA-N -1 3 323.308 3.279 50 30 DGEAHM C=CCN1C(=O)/C(=C\c2cc(Cl)ccc2[O-])SC1=S ZINC000013551623 431558493 /nfs/dbraw/zinc/55/84/93/431558493.db2.gz GUSKYYDVLCPCNX-YRNVUSSQSA-N -1 3 311.815 3.433 50 30 DGEAHM COC(=O)c1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)cc1 ZINC000013137338 431545587 /nfs/dbraw/zinc/54/55/87/431545587.db2.gz USYMIXNWESGWQU-WEVVVXLNSA-N -1 3 312.321 3.084 50 30 DGEAHM CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@@H]2c1ccccc1 ZINC000018195560 431618968 /nfs/dbraw/zinc/61/89/68/431618968.db2.gz PPSYUHUWYSJVGR-CYBMUJFWSA-N -1 3 309.369 3.316 50 30 DGEAHM Cc1cccc(C)c1OCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000036714126 431841187 /nfs/dbraw/zinc/84/11/87/431841187.db2.gz YYGOFKJNPRPPCI-UHFFFAOYSA-N -1 3 314.267 3.107 50 30 DGEAHM Cc1cccc(C)c1OCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000036714126 431841188 /nfs/dbraw/zinc/84/11/88/431841188.db2.gz YYGOFKJNPRPPCI-UHFFFAOYSA-N -1 3 314.267 3.107 50 30 DGEAHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc(N(C)C)cc2)nc(C)n1 ZINC000098054976 431977149 /nfs/dbraw/zinc/97/71/49/431977149.db2.gz GWZNHIIYJXLRHT-CGQZWFTASA-N -1 3 320.396 3.049 50 30 DGEAHM N#CC(=C([O-])C=Cc1cnn(-c2ccccc2)c1)c1ccccn1 ZINC000049456697 431940555 /nfs/dbraw/zinc/94/05/55/431940555.db2.gz YVXXMLBJNMSVJV-IBSYWUHOSA-N -1 3 314.348 3.157 50 30 DGEAHM COc1ccc(/C(=N/[O-])[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000100338129 431981830 /nfs/dbraw/zinc/98/18/30/431981830.db2.gz FQBOLMUTDDLPMN-NOJWBWKLSA-N -1 3 311.337 3.406 50 30 DGEAHM CS(=O)(=O)[N-]c1ccc(C(=O)/C=C/c2ccccc2F)cc1 ZINC000058357405 525216957 /nfs/dbraw/zinc/21/69/57/525216957.db2.gz MNGTVWSJAYTTLR-DHZHZOJOSA-N -1 3 319.357 3.093 50 30 DGEAHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cc(-c2ccccc2)[nH]n1 ZINC000073974157 527585766 /nfs/dbraw/zinc/58/57/66/527585766.db2.gz QQXLYYDCZCHMBT-UHFFFAOYSA-N -1 3 320.312 3.091 50 30 DGEAHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc(N(C)C)cc2)nc(C)n1 ZINC000049404915 655523211 /nfs/dbraw/zinc/52/32/11/655523211.db2.gz GWZNHIIYJXLRHT-PYUISTEWSA-N -1 3 320.396 3.049 50 30 DGEAHM N#CC(C(=O)Nc1ccccc1)=C([O-])C=Cc1ccc(F)cc1 ZINC000103504244 432011120 /nfs/dbraw/zinc/01/11/20/432011120.db2.gz DKHBVUYXWWZNRV-YCABEKBOSA-N -1 3 308.312 3.186 50 30 DGEAHM N#Cc1c(N)nc(-c2ccc(F)cc2)cc1-c1ccc([O-])c(O)c1 ZINC000067714707 432035167 /nfs/dbraw/zinc/03/51/67/432035167.db2.gz DWZPPBGRCDPFSS-UHFFFAOYSA-N -1 3 321.311 3.420 50 30 DGEAHM N#Cc1ccccc1[N-]C(=O)c1noc2c1COc1ccccc1-2 ZINC000020484736 182222998 /nfs/dbraw/zinc/22/29/98/182222998.db2.gz HZRRWQWACOKKTA-UHFFFAOYSA-N -1 3 317.304 3.358 50 30 DGEAHM CC[C@H]1CCc2c(C#N)c([N-]C(=O)c3cnccn3)sc2C1 ZINC000002742248 276615452 /nfs/dbraw/zinc/61/54/52/276615452.db2.gz QFSMZTFWDATMLH-JTQLQIEISA-N -1 3 312.398 3.177 50 30 DGEAHM CNc1ccc(/C=C2/Cc3c(cccc3[O-])C2=O)cc1[N+](=O)[O-] ZINC000096931943 277043209 /nfs/dbraw/zinc/04/32/09/277043209.db2.gz TXCHXBSJQFLEDM-XFFZJAGNSA-N -1 3 310.309 3.165 50 30 DGEAHM CCN(CC)c1ccc(/C=N/c2ccccc2C(N)=O)c([O-])c1 ZINC000000497373 431194015 /nfs/dbraw/zinc/19/40/15/431194015.db2.gz NPTWCGCXFZMBMY-UDWIEESQSA-N -1 3 311.385 3.088 50 30 DGEAHM Cc1cc(C)c([O-])c(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000000243523 431153240 /nfs/dbraw/zinc/15/32/40/431153240.db2.gz GCMIKSZXKMQXCX-REZTVBANSA-N -1 3 314.297 3.397 50 30 DGEAHM C=CCc1cccc(/C=N\N2CCN(c3ccccc3)CC2)c1[O-] ZINC000012379100 431502884 /nfs/dbraw/zinc/50/28/84/431502884.db2.gz PWZVBZNJCAJECZ-PGMHBOJBSA-N -1 3 321.424 3.277 50 30 DGEAHM CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@H]2c1ccccc1 ZINC000018195562 431619117 /nfs/dbraw/zinc/61/91/17/431619117.db2.gz PPSYUHUWYSJVGR-ZDUSSCGKSA-N -1 3 309.369 3.316 50 30 DGEAHM O=c1[n-][nH]c2c1[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000018195434 431619731 /nfs/dbraw/zinc/61/97/31/431619731.db2.gz DJLCQTUDURXTRL-LBPRGKRZSA-N -1 3 315.760 3.333 50 30 DGEAHM O=c1[nH][n-]c2c1[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000018195434 431619736 /nfs/dbraw/zinc/61/97/36/431619736.db2.gz DJLCQTUDURXTRL-LBPRGKRZSA-N -1 3 315.760 3.333 50 30 DGEAHM CS(=O)(=O)[N-]c1ccc(C(=O)/C=C\c2ccsc2)cc1 ZINC000096188011 431941481 /nfs/dbraw/zinc/94/14/81/431941481.db2.gz AKUXJPVHXGVBLN-UQCOIBPSSA-N -1 3 307.396 3.016 50 30 DGEAHM CCc1ccc(OCC(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000053524701 431963983 /nfs/dbraw/zinc/96/39/83/431963983.db2.gz JNTHRJGIGBDOAF-UHFFFAOYSA-N -1 3 323.356 3.096 50 30 DGEAHM CCc1ccc(OCC(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000053524701 431963985 /nfs/dbraw/zinc/96/39/85/431963985.db2.gz JNTHRJGIGBDOAF-UHFFFAOYSA-N -1 3 323.356 3.096 50 30 DGEAHM CCc1ccc(OCC(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000053524701 431963988 /nfs/dbraw/zinc/96/39/88/431963988.db2.gz JNTHRJGIGBDOAF-UHFFFAOYSA-N -1 3 323.356 3.096 50 30 DGEAHM CCCCCCCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000102993739 432001262 /nfs/dbraw/zinc/00/12/62/432001262.db2.gz YESRIMLJQKJXOO-UHFFFAOYSA-N -1 3 312.435 3.357 50 30 DGEAHM N#CC(=C([O-])c1cnn(-c2ccccc2Cl)c1)c1ccccn1 ZINC000050205759 526495563 /nfs/dbraw/zinc/49/55/63/526495563.db2.gz DLWDYYUYKGXVTR-CYBMUJFWSA-N -1 3 322.755 3.411 50 30 DGEAHM O=C(/C=C\c1cc(F)cc2c1OCOC2)c1cccc([O-])c1 ZINC000096930376 185392500 /nfs/dbraw/zinc/39/25/00/185392500.db2.gz PZKIZPAOPYYJAC-PLNGDYQASA-N -1 3 300.285 3.294 50 30 DGEAHM N#Cc1ccccc1CN1CC[C@@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072143643 191049902 /nfs/dbraw/zinc/04/99/02/191049902.db2.gz BGLFDFWYVCEQQO-INIZCTEOSA-N -1 3 320.392 3.321 50 30 DGEAHM COc1ccc(OC)c(/C=C2\Oc3cc(C)cc([O-])c3C2=O)c1 ZINC000011865208 181712626 /nfs/dbraw/zinc/71/26/26/181712626.db2.gz JPGBJRRHDJENNF-SXGWCWSVSA-N -1 3 312.321 3.334 50 30 biogenic DGEAHM N#Cc1ccc([O-])c(NC[C@@]2(c3cccc(F)c3)CCOC2)c1 ZINC000020598145 182236555 /nfs/dbraw/zinc/23/65/55/182236555.db2.gz CZZOUJMVGHKWNU-SFHVURJKSA-N -1 3 312.344 3.173 50 30 DGEAHM CCCc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000064102240 184292384 /nfs/dbraw/zinc/29/23/84/184292384.db2.gz ZOTQWXABNXFVPL-MRXNPFEDSA-N -1 3 322.412 3.447 50 30 DGEAHM Cc1cccc2nc(C([O-])=C(C#N)c3nc4ccccc4o3)cn21 ZINC000073977024 400482526 /nfs/dbraw/zinc/48/25/26/400482526.db2.gz SYDGIHRTIYBFLL-LBPRGKRZSA-N -1 3 316.320 3.274 50 30 DGEAHM N#Cc1ccsc1[N-]C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000127952 431132063 /nfs/dbraw/zinc/13/20/63/431132063.db2.gz WAAKXTWVRTZBKU-UHFFFAOYSA-N -1 3 307.718 3.434 50 30 DGEAHM O=C1Nc2ccccc2/C1=N\N=C\c1c([O-])ccc2ccccc21 ZINC000000521024 431197194 /nfs/dbraw/zinc/19/71/94/431197194.db2.gz VUBDVZBNBOITRO-RGVLZGJSSA-N -1 3 315.332 3.321 50 30 DGEAHM COc1ccc(C)cc1NC(=S)N/N=C/c1ccccc1[O-] ZINC000002172541 431246434 /nfs/dbraw/zinc/24/64/34/431246434.db2.gz QFXHQMGPXNMXMF-LICLKQGHSA-N -1 3 315.398 3.030 50 30 DGEAHM COc1cc(/C=C/C(=O)c2ccc(C#N)cc2)cc(OC)c1[O-] ZINC000009154425 431425317 /nfs/dbraw/zinc/42/53/17/431425317.db2.gz FQASRYUWQCWKCF-VMPITWQZSA-N -1 3 309.321 3.177 50 30 DGEAHM CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@H]2c1cccs1 ZINC000012347852 431503460 /nfs/dbraw/zinc/50/34/60/431503460.db2.gz JHEQPFRSJYHRMW-LBPRGKRZSA-N -1 3 315.398 3.377 50 30 DGEAHM O=C1c2cccc3cccc(c32)C(=O)N1/N=C/c1ccccc1[O-] ZINC000000354714 280331103 /nfs/dbraw/zinc/33/11/03/280331103.db2.gz UUTOFDSWEBWZCF-RGVLZGJSSA-N -1 3 316.316 3.176 50 30 DGEAHM O=c1[n-][nH]c2c1[C@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 ZINC000018195507 431619914 /nfs/dbraw/zinc/61/99/14/431619914.db2.gz YGNPGVFFHYYLAQ-GFCCVEGCSA-N -1 3 315.760 3.333 50 30 DGEAHM O=c1[nH][n-]c2c1[C@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 ZINC000018195507 431619919 /nfs/dbraw/zinc/61/99/19/431619919.db2.gz YGNPGVFFHYYLAQ-GFCCVEGCSA-N -1 3 315.760 3.333 50 30 DGEAHM [O-]c1cc(O)ccc1-c1csc(N=NCc2cccnc2)n1 ZINC000028465503 431705704 /nfs/dbraw/zinc/70/57/04/431705704.db2.gz UNIIXYJOCOUGNB-CAOOACKPSA-N -1 3 312.354 3.062 50 30 DGEAHM N#CC(=C([O-])C=Cc1cnn(-c2ccccc2)c1)c1ccccn1 ZINC000049456699 431940401 /nfs/dbraw/zinc/94/04/01/431940401.db2.gz YVXXMLBJNMSVJV-DOOKAGJSSA-N -1 3 314.348 3.157 50 30 DGEAHM CO[C@@H](C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1)c1ccccc1 ZINC000097049101 431958389 /nfs/dbraw/zinc/95/83/89/431958389.db2.gz VSYILJVOHZJKST-CYBMUJFWSA-N -1 3 312.329 3.349 50 30 DGEAHM CO[C@@H](C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1)c1ccccc1 ZINC000097049101 431958390 /nfs/dbraw/zinc/95/83/90/431958390.db2.gz VSYILJVOHZJKST-CYBMUJFWSA-N -1 3 312.329 3.349 50 30 DGEAHM CO[C@@H](C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)c1ccccc1 ZINC000097049101 431958393 /nfs/dbraw/zinc/95/83/93/431958393.db2.gz VSYILJVOHZJKST-CYBMUJFWSA-N -1 3 312.329 3.349 50 30 DGEAHM O=S(=O)(/N=C/c1c([O-])ccc2ccccc21)c1ccccc1 ZINC000100509398 431981989 /nfs/dbraw/zinc/98/19/89/431981989.db2.gz ROCKULJGBMKWIA-LDADJPATSA-N -1 3 311.362 3.353 50 30 DGEAHM CCOc1ccccc1NC(=O)CSC(C(C)=O)=C(C)[O-] ZINC000101159658 431983608 /nfs/dbraw/zinc/98/36/08/431983608.db2.gz IVZPDKGJNWAUOL-XNTDXEJSSA-N -1 3 309.387 3.136 50 30 DGEAHM CCN(CC)c1ccc(C=Nc2ccccc2C(N)=O)c([O-])c1 ZINC000252461741 432376523 /nfs/dbraw/zinc/37/65/23/432376523.db2.gz NPTWCGCXFZMBMY-UHFFFAOYSA-N -1 3 311.385 3.088 50 30 DGEAHM O=C1c2cccc3cccc(c32)C(=O)N1N=Cc1ccccc1[O-] ZINC000252630108 432384540 /nfs/dbraw/zinc/38/45/40/432384540.db2.gz UUTOFDSWEBWZCF-UHFFFAOYSA-N -1 3 316.316 3.176 50 30 DGEAHM [O-]c1cc(O)ccc1C=NN1CC(c2ccccc2)=NC1=S ZINC000254380140 432401988 /nfs/dbraw/zinc/40/19/88/432401988.db2.gz HUAKWXFRSVHEQN-UHFFFAOYSA-N -1 3 311.366 3.132 50 30 DGEAHM C=CCOc1ccc(CN2CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC000263417544 432542952 /nfs/dbraw/zinc/54/29/52/432542952.db2.gz NUALCSZDKJOIHL-CQSZACIVSA-N -1 3 309.793 3.344 50 30 DGEAHM Cc1ccc([C@@H]2[N-]c3nonc3N=C3CC(C)(C)CC(=O)C32)o1 ZINC000021147013 301764582 /nfs/dbraw/zinc/76/45/82/301764582.db2.gz YJGKPZXKLZZIRR-ZDUSSCGKSA-N -1 3 314.345 3.193 50 30 DGEAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1ccccc1 ZINC000024881465 525227394 /nfs/dbraw/zinc/22/73/94/525227394.db2.gz FWMJDFIEFMPCKM-UHFFFAOYSA-N -1 3 318.398 3.279 50 30 DGEAHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc2ccccc2s1 ZINC000103277214 432005730 /nfs/dbraw/zinc/00/57/30/432005730.db2.gz GSRQAMYAAMRZKP-LBPRGKRZSA-N -1 3 321.361 3.257 50 30 DGEAHM O=C1CCCC2=Nc3nonc3[N-][C@@H](c3ccc(Cl)cc3)C12 ZINC000072461830 191172987 /nfs/dbraw/zinc/17/29/87/191172987.db2.gz YEJOEJPBGLKOFY-ZDUSSCGKSA-N -1 3 316.748 3.309 50 30 DGEAHM COc1cc(Cl)cc(C=NNc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000003900553 181055152 /nfs/dbraw/zinc/05/51/52/181055152.db2.gz QGRJFSLXRCKTGZ-LZYBPNLTSA-N -1 3 321.720 3.408 50 30 DGEAHM Cc1noc(C)c1C(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC000016602358 182051472 /nfs/dbraw/zinc/05/14/72/182051472.db2.gz XXIUITBOTJPIMT-UHFFFAOYSA-N -1 3 301.371 3.356 50 30 DGEAHM CC(=C([O-])NC1=NCCS1)c1c(Cl)cccc1Cl ZINC000065522866 277537582 /nfs/dbraw/zinc/53/75/82/277537582.db2.gz QTXCHKRTLMVXEP-SSDOTTSWSA-N -1 3 303.214 3.316 50 30 DGEAHM CC(C)(C)c1ccc([N-]/N=C(\C#N)S(=O)(=O)C(C)(C)C)cc1 ZINC000003047550 431282397 /nfs/dbraw/zinc/28/23/97/431282397.db2.gz NGPUMDFMDVHJTF-XMHGGMMESA-N -1 3 321.446 3.446 50 30 DGEAHM COc1ccc(/C=N/[O-])cc1COc1ccc(NC(C)=O)cc1 ZINC000013111905 431547770 /nfs/dbraw/zinc/54/77/70/431547770.db2.gz VUXMHRFKJSNYGO-VCHYOVAHSA-N -1 3 314.341 3.041 50 30 DGEAHM O=c1[n-][nH]c2c1[C@@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 ZINC000018195509 431618019 /nfs/dbraw/zinc/61/80/19/431618019.db2.gz YGNPGVFFHYYLAQ-LBPRGKRZSA-N -1 3 315.760 3.333 50 30 DGEAHM O=c1[nH][n-]c2c1[C@@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 ZINC000018195509 431618025 /nfs/dbraw/zinc/61/80/25/431618025.db2.gz YGNPGVFFHYYLAQ-LBPRGKRZSA-N -1 3 315.760 3.333 50 30 DGEAHM N#CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000029972278 431732440 /nfs/dbraw/zinc/73/24/40/431732440.db2.gz KRPHIKDITQGVEY-UHFFFAOYSA-N -1 3 312.394 3.042 50 30 DGEAHM COc1ccc(C(=O)/C=C\c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000096766615 431955960 /nfs/dbraw/zinc/95/59/60/431955960.db2.gz XUZYUAYDDQVZBU-WTKPLQERSA-N -1 3 314.337 3.314 50 30 DGEAHM Cc1csc([N-]C(=O)c2noc3c2CCCCC3)c1C#N ZINC000288903658 432904637 /nfs/dbraw/zinc/90/46/37/432904637.db2.gz TWIKXGZMACSJDT-UHFFFAOYSA-N -1 3 301.371 3.437 50 30 DGEAHM Cc1ccsc1[C@@H]1c2c(=O)[nH][n-]c2NC2=C1C(=O)CCC2 ZINC000012348716 302312342 /nfs/dbraw/zinc/31/23/42/302312342.db2.gz UMVGPTVLPDKRFP-NSHDSACASA-N -1 3 301.371 3.050 50 30 DGEAHM COc1ccc(C([O-])=Cc2nc3ccc(C)cc3[nH]c2=O)cc1 ZINC000077024269 185071589 /nfs/dbraw/zinc/07/15/89/185071589.db2.gz FWMNPIJJQVTIAW-MHWRWJLKSA-N -1 3 308.337 3.134 50 30 DGEAHM Cc1ccc(C=CC([O-])=C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000104257337 432016653 /nfs/dbraw/zinc/01/66/53/432016653.db2.gz ODDVHXJQMOTWGR-QWGSZXSUSA-N -1 3 308.337 3.257 50 30 DGEAHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1 ZINC000003326465 181005437 /nfs/dbraw/zinc/00/54/37/181005437.db2.gz MIQZEKMEMMNSOW-UHFFFAOYSA-N -1 3 310.737 3.152 50 30 DGEAHM CN(c1ccccc1)c1ccc(C=[NH+][N-]c2nc([O-])cs2)cc1 ZINC000004608276 181129536 /nfs/dbraw/zinc/12/95/36/181129536.db2.gz KNPMLVDDARNUSG-WOJGMQOQSA-N -1 3 324.409 3.007 50 30 DGEAHM CCOC(=O)COc1ccc(/C(C)=N/[O-])c(Cl)c1Cl ZINC000005592166 181261237 /nfs/dbraw/zinc/26/12/37/181261237.db2.gz SHOMMDZWIQZLBJ-VIZOYTHASA-N -1 3 306.145 3.134 50 30 DGEAHM CS(=O)(=O)[N-]c1ccc(C(=O)/C=C/c2ccsc2)cc1 ZINC000064307932 184293665 /nfs/dbraw/zinc/29/36/65/184293665.db2.gz AKUXJPVHXGVBLN-FARCUNLSSA-N -1 3 307.396 3.016 50 30 DGEAHM CCO/N=C(\C)c1c([O-])cc(C(C)C)n(-c2ccccc2)c1=O ZINC000101160924 279520260 /nfs/dbraw/zinc/52/02/60/279520260.db2.gz PBOUEOBWUOVWNS-CPNJWEJPSA-N -1 3 314.385 3.427 50 30 DGEAHM CC(C)c1cc(C(=O)[N-]c2sc3c(c2C#N)CCC3)no1 ZINC000002498034 431254832 /nfs/dbraw/zinc/25/48/32/431254832.db2.gz WOJWUUKCLYKIQF-UHFFFAOYSA-N -1 3 301.371 3.472 50 30 DGEAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@@H]2c2ccccc2)C1 ZINC000012408538 431507313 /nfs/dbraw/zinc/50/73/13/431507313.db2.gz SHYPTVOAIGGIMG-CQSZACIVSA-N -1 3 310.357 3.292 50 30 DGEAHM Cc1cc(C(=O)[N-]c2nc(-c3ccc(C#N)cc3)cs2)on1 ZINC000012422382 431508029 /nfs/dbraw/zinc/50/80/29/431508029.db2.gz JCTUVFJNCNWRJQ-UHFFFAOYSA-N -1 3 310.338 3.231 50 30 DGEAHM CCCN(CC#Cc1ccccc1)Cc1ccc(O)c(C(=O)[O-])c1 ZINC000055269914 431979521 /nfs/dbraw/zinc/97/95/21/431979521.db2.gz GKBJHPCSRJELGN-UHFFFAOYSA-N -1 3 323.392 3.354 50 30 DGEAHM CCc1nnsc1C(=O)[N-]c1ccccc1SCCC#N ZINC000095953543 431928283 /nfs/dbraw/zinc/92/82/83/431928283.db2.gz YDFRPAUROHVBTI-UHFFFAOYSA-N -1 3 318.427 3.359 50 30 DGEAHM O=C1Nc2ccccc2/C1=N/N=Cc1c([O-])ccc2ccccc21 ZINC000254351793 432401748 /nfs/dbraw/zinc/40/17/48/432401748.db2.gz VUBDVZBNBOITRO-UHFFFAOYSA-N -1 3 315.332 3.321 50 30 DGEAHM Cc1ccc(C2N=NC(=S)N2N=Cc2ccccc2[O-])cc1 ZINC000253616973 432402258 /nfs/dbraw/zinc/40/22/58/432402258.db2.gz JKFQQKYUOPATSW-UHFFFAOYSA-N -1 3 310.382 3.130 50 30 DGEAHM O=C(NCc1ccc([O-])c2ncccc12)[C@H]1CCCCC(=O)N1 ZINC000328600750 434285742 /nfs/dbraw/zinc/28/57/42/434285742.db2.gz ZMIOVRWEHZXOLK-CYBMUJFWSA-N -1 3 313.357 3.296 50 30 DGEAHM O=C1CCCC2=Nc3nonc3[N-][C@@H](c3ccccc3Cl)C12 ZINC000012390408 304624456 /nfs/dbraw/zinc/62/44/56/304624456.db2.gz MTXKWYPIZQCHLF-ZDUSSCGKSA-N -1 3 316.748 3.309 50 30 DGEAHM Cc1ccsc1[C@H]1c2c(=O)[nH][n-]c2NC2=C1C(=O)CCC2 ZINC000012348704 302315439 /nfs/dbraw/zinc/31/54/39/302315439.db2.gz UMVGPTVLPDKRFP-LLVKDONJSA-N -1 3 301.371 3.050 50 30 DGEAHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(F)cc2)cc1 ZINC000103504523 432010796 /nfs/dbraw/zinc/01/07/96/432010796.db2.gz YVIKEMVYZHQQOM-MRXNPFEDSA-N -1 3 310.328 3.349 50 30 DGEAHM Cc1ccc(C=CC([O-])=C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000103504065 432010990 /nfs/dbraw/zinc/01/09/90/432010990.db2.gz ODDVHXJQMOTWGR-ROJDOSBLSA-N -1 3 308.337 3.257 50 30 DGEAHM C=CCn1c(C)cc(C(=O)COC(=O)c2ccc([O-])cc2)c1C ZINC000003537661 181031510 /nfs/dbraw/zinc/03/15/10/181031510.db2.gz JWSWEXJCOVFVAO-UHFFFAOYSA-N -1 3 313.353 3.036 50 30 DGEAHM CCCCC#Cc1[n-]c(C(=O)OCC)c(C)c1C(=O)OCC ZINC000004088972 181072236 /nfs/dbraw/zinc/07/22/36/181072236.db2.gz UTCWLFPYOYOLPI-UHFFFAOYSA-N -1 3 305.374 3.218 50 30 biogenic DGEAHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000043318703 183354618 /nfs/dbraw/zinc/35/46/18/183354618.db2.gz XRILGNOSGQTVMM-UHFFFAOYSA-N -1 3 322.773 3.021 50 30 DGEAHM COc1cc(/C=C/C(=O)c2cccc(C#N)c2)cc(OC)c1[O-] ZINC000059270227 184136570 /nfs/dbraw/zinc/13/65/70/184136570.db2.gz FRRASZBFDRGEBM-VOTSOKGWSA-N -1 3 309.321 3.177 50 30 DGEAHM O=C1c2ccc([O-])c(CN3CCCC3)c2O/C1=C\c1ccco1 ZINC000002438269 285015973 /nfs/dbraw/zinc/01/59/73/285015973.db2.gz YYSLIRNXIUWMBX-YBEGLDIGSA-N -1 3 311.337 3.197 50 30 DGEAHM [O-]/N=C\c1ccc(OCc2ccccc2)c(Br)n1 ZINC000100002373 256559728 /nfs/dbraw/zinc/55/97/28/256559728.db2.gz PBYXJLWMHLTXTB-NVNXTCNLSA-N -1 3 307.147 3.231 50 30 DGEAHM N#Cc1cccc(C=CC(=O)Nc2n[n-]c(-c3ccoc3)n2)c1 ZINC000075140269 400562786 /nfs/dbraw/zinc/56/27/86/400562786.db2.gz JRGODPQAISIUKZ-SNAWJCMRSA-N -1 3 305.297 3.238 50 30 DGEAHM [O-]c1ccc(Cl)c(/C=N/C[C@@H]2COc3ccccc3O2)c1 ZINC000000186707 431142388 /nfs/dbraw/zinc/14/23/88/431142388.db2.gz AHXIGGHCYZNKTB-NACCWKTGSA-N -1 3 303.745 3.305 50 30 DGEAHM O=C(/C=C/c1cc(F)cc2c1OCOC2)c1cccc([O-])c1 ZINC000009871862 431446832 /nfs/dbraw/zinc/44/68/32/431446832.db2.gz PZKIZPAOPYYJAC-SNAWJCMRSA-N -1 3 300.285 3.294 50 30 DGEAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@H]2[C@H]2CC=CCC2)C1 ZINC000012323232 431501740 /nfs/dbraw/zinc/50/17/40/431501740.db2.gz OTCFMFVWAFQUKJ-HZMBPMFUSA-N -1 3 314.389 3.275 50 30 DGEAHM CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@@H]2c1ccsc1 ZINC000012348671 431504912 /nfs/dbraw/zinc/50/49/12/431504912.db2.gz CAHAKAMUZXKJFV-LLVKDONJSA-N -1 3 315.398 3.377 50 30 DGEAHM C=CCN=C([S-])NN=Cc1ccc(-c2ccc(OC)cc2)o1 ZINC000013555052 431558234 /nfs/dbraw/zinc/55/82/34/431558234.db2.gz ULYGRPJTYCMTGK-WOJGMQOQSA-N -1 3 315.398 3.351 50 30 DGEAHM CCCC(=O)N1c2ccccc2C(=Nc2ccccc2[O-])C1=O ZINC000252517680 432382469 /nfs/dbraw/zinc/38/24/69/432382469.db2.gz OLZURADVLJQJKA-UHFFFAOYSA-N -1 3 308.337 3.186 50 30 DGEAHM CCC1N=NC(=S)N1N=C(C)c1ccc2ccccc2c1[O-] ZINC000254304539 432401815 /nfs/dbraw/zinc/40/18/15/432401815.db2.gz IOTMUVQUTGMFQU-UHFFFAOYSA-N -1 3 312.398 3.260 50 30 DGEAHM O=C1N/C(=N\c2cccc([O-])c2)S/C1=C\c1cccs1 ZINC000016994086 331571957 /nfs/dbraw/zinc/57/19/57/331571957.db2.gz WHFDBPPIYLHAHF-WQLSENKSSA-N -1 3 302.380 3.345 50 30 DGEAHM COc1ccc(OC)c(/C=C2\Oc3c(ccc([O-])c3C)C2=O)c1 ZINC000026461480 524800813 /nfs/dbraw/zinc/80/08/13/524800813.db2.gz UNFIFVTWNHPZNK-SXGWCWSVSA-N -1 3 312.321 3.334 50 30 DGEAHM N#CC(=C([O-])c1cnn(-c2ccccc2Cl)c1)c1ccccn1 ZINC000050205758 526508895 /nfs/dbraw/zinc/50/88/95/526508895.db2.gz DLWDYYUYKGXVTR-ZDUSSCGKSA-N -1 3 322.755 3.411 50 30 DGEAHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000004742322 190619906 /nfs/dbraw/zinc/61/99/06/190619906.db2.gz GRFPNGTZFKAEIY-UHFFFAOYSA-N -1 3 306.774 3.154 50 30 DGEAHM C/C(=N\N1CCN(Cc2ccc(C)cc2)CC1)c1ccccc1[O-] ZINC000019791111 182149337 /nfs/dbraw/zinc/14/93/37/182149337.db2.gz DWVGGOGBUBWLIH-HEHNFIMWSA-N -1 3 323.440 3.242 50 30 DGEAHM CNc1ccc(/C=C2\Cc3c(cccc3[O-])C2=O)cc1[N+](=O)[O-] ZINC000022135250 182310833 /nfs/dbraw/zinc/31/08/33/182310833.db2.gz TXCHXBSJQFLEDM-YRNVUSSQSA-N -1 3 310.309 3.165 50 30 DGEAHM C=CCN(CC#Cc1ccccc1)C(=O)c1cccc(OC)c1[O-] ZINC000065406009 184338761 /nfs/dbraw/zinc/33/87/61/184338761.db2.gz KVFRMVVSRNDWNB-UHFFFAOYSA-N -1 3 321.376 3.081 50 30 DGEAHM C=CCc1cccc2cc(C(N)=O)c(=Nc3cccc([O-])c3)oc21 ZINC000240122507 257213111 /nfs/dbraw/zinc/21/31/11/257213111.db2.gz WAOVDDALWOLVSW-UHFFFAOYSA-N -1 3 320.348 3.198 50 30 DGEAHM Cc1cccc2nc(C([O-])=C(C#N)c3nc4ccccc4o3)cn21 ZINC000073977022 400482720 /nfs/dbraw/zinc/48/27/20/400482720.db2.gz SYDGIHRTIYBFLL-GFCCVEGCSA-N -1 3 316.320 3.274 50 30 DGEAHM CC1(C)Oc2ccc3ccc(=O)oc3c2C(/C=N/[O-])=C1Cl ZINC000013111928 276157155 /nfs/dbraw/zinc/15/71/55/276157155.db2.gz PFXYKKOYWRMWQO-REZTVBANSA-N -1 3 305.717 3.374 50 30 DGEAHM Cc1cc(=O)oc2c3c(ccc12)O/C(=C\c1ccc([O-])cc1)C3=O ZINC000000081091 431120521 /nfs/dbraw/zinc/12/05/21/431120521.db2.gz PUNHAKJGHDPXAO-DHDCSXOGSA-N -1 3 320.300 3.423 50 30 DGEAHM O=C1[N-]/C(=N/c2ccc(F)cc2)S[C@H]1Cc1ccc(F)cc1 ZINC000005649536 431311627 /nfs/dbraw/zinc/31/16/27/431311627.db2.gz HSBFMPCYFMWBFX-AWEZNQCLSA-N -1 3 318.348 3.427 50 30 DGEAHM COc1cccc(/C=C2\Oc3cc(C)cc([O-])c3C2=O)c1OC ZINC000011865207 431484246 /nfs/dbraw/zinc/48/42/46/431484246.db2.gz OQQQRXJYBPAXLP-DHDCSXOGSA-N -1 3 312.321 3.334 50 30 biogenic DGEAHM O=c1[n-][nH]c2c1[C@@H](c1cccc(Cl)c1)C1=C(CCCC1=O)N2 ZINC000018195512 431617728 /nfs/dbraw/zinc/61/77/28/431617728.db2.gz WVPMAQUETDNBPF-LBPRGKRZSA-N -1 3 315.760 3.333 50 30 DGEAHM O=c1[nH][n-]c2c1[C@@H](c1cccc(Cl)c1)C1=C(CCCC1=O)N2 ZINC000018195512 431617734 /nfs/dbraw/zinc/61/77/34/431617734.db2.gz WVPMAQUETDNBPF-LBPRGKRZSA-N -1 3 315.760 3.333 50 30 DGEAHM [O-]c1c(O)cccc1C=NN1CC(c2ccccc2)=NC1=S ZINC000254382702 432401870 /nfs/dbraw/zinc/40/18/70/432401870.db2.gz VNQZEXCFCKAYJW-UHFFFAOYSA-N -1 3 311.366 3.132 50 30 DGEAHM Cc1ccc(/C=C/C(=O)c2ccc([N-]S(C)(=O)=O)cc2)s1 ZINC000058357413 525953442 /nfs/dbraw/zinc/95/34/42/525953442.db2.gz QONDERDRLMLETM-MDZDMXLPSA-N -1 3 321.423 3.324 50 30 DGEAHM CCCN(CC#Cc1ccccc1)C(=O)c1ccc(OC)cc1[O-] ZINC000055197255 527870286 /nfs/dbraw/zinc/87/02/86/527870286.db2.gz VHYLGJBHABBTKV-UHFFFAOYSA-N -1 3 323.392 3.305 50 30 DGEAHM CCc1nc(C(C#N)=C([O-])c2cc(C(C)=O)cn2C)sc1C ZINC000083817779 545781321 /nfs/dbraw/zinc/78/13/21/545781321.db2.gz KPWAITZNOOELQA-LBPRGKRZSA-N -1 3 315.398 3.045 50 30 DGEAHM N#Cc1c([N-]C(=O)c2csc([N+](=O)[O-])c2)sc2c1CCC2 ZINC000096998539 185395928 /nfs/dbraw/zinc/39/59/28/185395928.db2.gz VZVRPLYVLZBBPN-UHFFFAOYSA-N -1 3 319.367 3.330 50 30 DGEAHM C=CCc1cccc(/C=N/NC(=S)Nc2ccccc2)c1[O-] ZINC000006293526 181327190 /nfs/dbraw/zinc/32/71/90/181327190.db2.gz QREXVTFZBYCQDF-LDADJPATSA-N -1 3 311.410 3.441 50 30 DGEAHM NC(=O)c1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000252460348 401094999 /nfs/dbraw/zinc/09/49/99/401094999.db2.gz DSFQEGAJFQCGPZ-UHFFFAOYSA-N -1 3 319.158 3.004 50 30 DGEAHM NC(=O)c1ccccc1N=Cc1cc(Br)ccc1[O-] ZINC000252461423 401095027 /nfs/dbraw/zinc/09/50/27/401095027.db2.gz MFISNADRDTWMQG-UHFFFAOYSA-N -1 3 319.158 3.004 50 30 DGEAHM CC(C)(C)C(=O)NC(=S)[N-]c1sc2c(c1C#N)CCCC2 ZINC000004810697 277128385 /nfs/dbraw/zinc/12/83/85/277128385.db2.gz LBYNNMSYCZQRJA-UHFFFAOYSA-N -1 3 321.471 3.358 50 30 DGEAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@@H]2[C@@H]2CC=CCC2)C1 ZINC000012323233 431501851 /nfs/dbraw/zinc/50/18/51/431501851.db2.gz OTCFMFVWAFQUKJ-QMTHXVAHSA-N -1 3 314.389 3.275 50 30 DGEAHM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)no1 ZINC000001055687 280375852 /nfs/dbraw/zinc/37/58/52/280375852.db2.gz WRUYVPAPSGQSGG-MRVPVSSYSA-N -1 3 301.371 3.293 50 30 DGEAHM C=CCc1ccccc1OCCN(C)Cc1nc(C)ccc1[O-] ZINC000055404897 431981440 /nfs/dbraw/zinc/98/14/40/431981440.db2.gz XLPVKEBPNCLJCZ-UHFFFAOYSA-N -1 3 312.413 3.335 50 30 DGEAHM CCOC(=O)c1sc(N=Cc2ccc(O)cc2[O-])cc1C ZINC000254644192 432403418 /nfs/dbraw/zinc/40/34/18/432403418.db2.gz GSXYVHWRDWQGOJ-UHFFFAOYSA-N -1 3 305.355 3.395 50 30 DGEAHM CC1CCN(c2ccc(C([O-])=C(C#N)c3ccccn3)cn2)CC1 ZINC000097136896 332193184 /nfs/dbraw/zinc/19/31/84/332193184.db2.gz QJEKLAVHHZTHKA-INIZCTEOSA-N -1 3 320.396 3.203 50 30 DGEAHM N#CCCSc1ccc(Cl)cc1[N-]C(=O)c1cnccn1 ZINC000065453156 526464174 /nfs/dbraw/zinc/46/41/74/526464174.db2.gz BXCYCJHFBDCOLM-UHFFFAOYSA-N -1 3 318.789 3.388 50 30 DGEAHM N#CC(=C([O-])C1=Cc2ccccc2OC1)c1nc2ccccc2[nH]1 ZINC000065518725 526504909 /nfs/dbraw/zinc/50/49/09/526504909.db2.gz MZQGPEWZJPSZEJ-CQSZACIVSA-N -1 3 315.332 3.215 50 30 DGEAHM CCc1ccc([O-])c(NC(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000151077048 529693136 /nfs/dbraw/zinc/69/31/36/529693136.db2.gz XYYMTHXOPUZCRV-UHFFFAOYSA-N -1 3 302.280 3.357 50 30 DGEAHM Cc1ncc(CO)c(/C=N/c2cccc(C(F)(F)F)c2)c1[O-] ZINC000005110542 181204653 /nfs/dbraw/zinc/20/46/53/181204653.db2.gz AMGNJGYWCMPBSO-IFRROFPPSA-N -1 3 310.275 3.357 50 30 DGEAHM O=C1[N-]/C(=N\c2ccccn2)S[C@H]1Cc1cccc(Cl)c1 ZINC000017862946 182086788 /nfs/dbraw/zinc/08/67/88/182086788.db2.gz JTYUSBDJOYQQPJ-LBPRGKRZSA-N -1 3 317.801 3.197 50 30 DGEAHM COc1cccc(N2C(=O)C(=O)C(=C(C)[O-])[C@H]2c2ccccc2)c1 ZINC000000550982 278015197 /nfs/dbraw/zinc/01/51/97/278015197.db2.gz PPHASTBVBXTKJM-QGZVFWFLSA-N -1 3 323.348 3.184 50 30 DGEAHM N#Cc1ccccc1[N-]C(=S)NC(=O)c1ccc(Cl)cc1 ZINC000000357754 431170878 /nfs/dbraw/zinc/17/08/78/431170878.db2.gz LGMNMFLTYVCQBW-UHFFFAOYSA-N -1 3 315.785 3.338 50 30 DGEAHM C=CCOc1c(Br)cc(/C=N/[O-])cc1OCC ZINC000002988049 431278541 /nfs/dbraw/zinc/27/85/41/431278541.db2.gz BXDSNVDDCYESMA-RIYZIHGNSA-N -1 3 300.152 3.221 50 30 DGEAHM CCCCCCCOc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000002836030 431272902 /nfs/dbraw/zinc/27/29/02/431272902.db2.gz YOQXFIJVEOBJTJ-KRWDZBQOSA-N -1 3 304.390 3.090 50 30 DGEAHM COc1ccc(/C=C/C(=O)c2cccc([O-])c2)c(OC)c1OC ZINC000008322402 431392181 /nfs/dbraw/zinc/39/21/81/431392181.db2.gz CPBOUCVFPVSCJH-VQHVLOKHSA-N -1 3 314.337 3.314 50 30 DGEAHM COc1cccc(/C=C2\Oc3c(ccc([O-])c3C)C2=O)c1OC ZINC000026461501 431675522 /nfs/dbraw/zinc/67/55/22/431675522.db2.gz AEQAGIIKLSNFJO-DHDCSXOGSA-N -1 3 312.321 3.334 50 30 DGEAHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc(N(C)C)cc2)nc(C)n1 ZINC000098054977 431977163 /nfs/dbraw/zinc/97/71/63/431977163.db2.gz GWZNHIIYJXLRHT-JEZWAEDTSA-N -1 3 320.396 3.049 50 30 DGEAHM Cc1c(C(=O)Nc2ccncc2)oc2c1/C(=N\[O-])CC(C)(C)C2 ZINC000100931481 431982942 /nfs/dbraw/zinc/98/29/42/431982942.db2.gz JADHMDPVLQRASU-NDENLUEZSA-N -1 3 313.357 3.386 50 30 DGEAHM CCOc1cc(/C=N/[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000100887072 431983182 /nfs/dbraw/zinc/98/31/82/431983182.db2.gz IGWDSCGGTZYQDG-LICLKQGHSA-N -1 3 316.313 3.381 50 30 DGEAHM CCCC(=O)Nc1ccc([O-])c(C(C)=NN2CCCCC2)c1 ZINC000254399649 432402971 /nfs/dbraw/zinc/40/29/71/432402971.db2.gz VMUKIFKOQHFLOE-UHFFFAOYSA-N -1 3 303.406 3.341 50 30 DGEAHM CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000003041980 520041543 /nfs/dbraw/zinc/04/15/43/520041543.db2.gz LOAMQZYJWUIALW-UHFFFAOYSA-N -1 3 303.358 3.088 50 30 DGEAHM CCc1nc(C(C#N)=C([O-])c2cc(C(C)=O)cn2C)sc1C ZINC000083817781 545781213 /nfs/dbraw/zinc/78/12/13/545781213.db2.gz KPWAITZNOOELQA-GFCCVEGCSA-N -1 3 315.398 3.045 50 30 DGEAHM N#Cc1cccc(NC(=O)c2[n-]nc3c2COc2ccccc2-3)c1 ZINC000009728709 283210511 /nfs/dbraw/zinc/21/05/11/283210511.db2.gz CFWQQHILLHBEGY-UHFFFAOYSA-N -1 3 316.320 3.093 50 30 DGEAHM N#Cc1cccc(NC(=O)c2n[n-]c3c2COc2ccccc2-3)c1 ZINC000009728709 283210513 /nfs/dbraw/zinc/21/05/13/283210513.db2.gz CFWQQHILLHBEGY-UHFFFAOYSA-N -1 3 316.320 3.093 50 30 DGEAHM O=C1c2cccc([O-])c2C/C1=C/c1cc2ccccc2[nH]c1=O ZINC000027542971 285017631 /nfs/dbraw/zinc/01/76/31/285017631.db2.gz OLYHZODCVMKCNS-XFXZXTDPSA-N -1 3 303.317 3.056 50 30 DGEAHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cscc2C)cc1 ZINC000175114347 400865513 /nfs/dbraw/zinc/86/55/13/400865513.db2.gz BCVYWQKCWPGDSA-ZDUSSCGKSA-N -1 3 314.366 3.026 50 30 DGEAHM Cn1cc(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)c2ccccc21 ZINC000068423405 431129186 /nfs/dbraw/zinc/12/91/86/431129186.db2.gz WIZUZHCPMDTBDS-UHFFFAOYSA-N -1 3 323.278 3.146 50 30 DGEAHM Cn1cc(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)c2ccccc21 ZINC000068423405 431129193 /nfs/dbraw/zinc/12/91/93/431129193.db2.gz WIZUZHCPMDTBDS-UHFFFAOYSA-N -1 3 323.278 3.146 50 30 DGEAHM C=CCc1cccc2cc(C(=O)Nc3ccccc3[O-])c(=O)oc21 ZINC000000183457 431140909 /nfs/dbraw/zinc/14/09/09/431140909.db2.gz SIEHXPPOICDLFM-UHFFFAOYSA-N -1 3 321.332 3.479 50 30 DGEAHM Cn1cc(Cl)c(C(=O)[N-]c2sc3c(c2C#N)CCCC3)n1 ZINC000002779669 431269710 /nfs/dbraw/zinc/26/97/10/431269710.db2.gz DNIZZUCLUQZYPR-UHFFFAOYSA-N -1 3 320.805 3.138 50 30 DGEAHM CCCCCCCOc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000002836031 431271691 /nfs/dbraw/zinc/27/16/91/431271691.db2.gz YOQXFIJVEOBJTJ-QGZVFWFLSA-N -1 3 304.390 3.090 50 30 DGEAHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1[O-] ZINC000072003508 431326582 /nfs/dbraw/zinc/32/65/82/431326582.db2.gz SNFLGJBNKCPEGT-KRWDZBQOSA-N -1 3 310.353 3.306 50 30 DGEAHM O=S(=O)(/N=C\c1c([O-])ccc2ccccc12)c1cccs1 ZINC000013119003 431546372 /nfs/dbraw/zinc/54/63/72/431546372.db2.gz TVIVJHZHPKNDAQ-YBEGLDIGSA-N -1 3 317.391 3.415 50 30 DGEAHM CC[C@H]1c2c([n-]n(-c3ccccc3)c2=O)NC2=C1C(=O)CCC2 ZINC000018195866 431618238 /nfs/dbraw/zinc/61/82/38/431618238.db2.gz ZPIITDXIKFNKKV-GFCCVEGCSA-N -1 3 309.369 3.092 50 30 DGEAHM CS(=O)(=O)c1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000100037435 431980421 /nfs/dbraw/zinc/98/04/21/431980421.db2.gz FDSJFLKUWMQQEE-CXUHLZMHSA-N -1 3 309.774 3.200 50 30 DGEAHM O=c1[nH]c2ccc(/N=C/c3c([O-])ccc4ccccc43)cc2[nH]1 ZINC000100370914 431981654 /nfs/dbraw/zinc/98/16/54/431981654.db2.gz ACJGWMKUUGSVBL-VXLYETTFSA-N -1 3 303.321 3.466 50 30 DGEAHM CCCCCCCCc1nnc([N-]C(=O)c2cnccn2)s1 ZINC000102937430 432000755 /nfs/dbraw/zinc/00/07/55/432000755.db2.gz XRFXRJSJKHYBAI-UHFFFAOYSA-N -1 3 319.434 3.483 50 30 DGEAHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=C1CCCCC1 ZINC000254591898 432403522 /nfs/dbraw/zinc/40/35/22/432403522.db2.gz CPLMAQGUBJCLBP-UHFFFAOYSA-N -1 3 317.414 3.327 50 30 DGEAHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc(N(C)C)cc2)nc(C)n1 ZINC000049404918 655523198 /nfs/dbraw/zinc/52/31/98/655523198.db2.gz GWZNHIIYJXLRHT-JEJOPICUSA-N -1 3 320.396 3.049 50 30 DGEAHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc(F)cc1 ZINC000103504359 432011369 /nfs/dbraw/zinc/01/13/69/432011369.db2.gz ZDKBRLRWRODOPK-LBPRGKRZSA-N -1 3 316.719 3.440 50 30 DGEAHM O=C1CCCC2=Nc3nonc3[N-][C@H](c3ccc(Cl)cc3)C12 ZINC000072461829 191172776 /nfs/dbraw/zinc/17/27/76/191172776.db2.gz YEJOEJPBGLKOFY-CYBMUJFWSA-N -1 3 316.748 3.309 50 30 DGEAHM C=CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006701637 181373797 /nfs/dbraw/zinc/37/37/97/181373797.db2.gz KMIRBUYNFVGQKX-UHFFFAOYSA-N -1 3 307.346 3.191 50 30 DGEAHM CCOc1cc(/C=N/[O-])c(Br)cc1OC(C)C ZINC000016688156 182057615 /nfs/dbraw/zinc/05/76/15/182057615.db2.gz AKQFQYFSADETBO-VGOFMYFVSA-N -1 3 302.168 3.443 50 30 DGEAHM O=C(CCn1ccc2ccccc21)Nc1nnc(C(F)(F)F)[n-]1 ZINC000043997137 183392214 /nfs/dbraw/zinc/39/22/14/183392214.db2.gz NIQIGPASRDVDBZ-UHFFFAOYSA-N -1 3 323.278 3.457 50 30 DGEAHM O=C(CCn1ccc2ccccc21)Nc1nc(C(F)(F)F)n[n-]1 ZINC000043997137 183392217 /nfs/dbraw/zinc/39/22/17/183392217.db2.gz NIQIGPASRDVDBZ-UHFFFAOYSA-N -1 3 323.278 3.457 50 30 DGEAHM O=C(Nc1nnc(-c2ccccn2)[n-]1)C(F)(F)c1ccccc1 ZINC000058110560 184075994 /nfs/dbraw/zinc/07/59/94/184075994.db2.gz MLDSGGOCKHLQAD-UHFFFAOYSA-N -1 3 315.283 3.247 50 30 DGEAHM O=C(Nc1nc(-c2ccccn2)n[n-]1)C(F)(F)c1ccccc1 ZINC000058110560 184075996 /nfs/dbraw/zinc/07/59/96/184075996.db2.gz MLDSGGOCKHLQAD-UHFFFAOYSA-N -1 3 315.283 3.247 50 30 DGEAHM O=C(Nc1n[n-]c(-c2ccccn2)n1)C(F)(F)c1ccccc1 ZINC000058110560 184075998 /nfs/dbraw/zinc/07/59/98/184075998.db2.gz MLDSGGOCKHLQAD-UHFFFAOYSA-N -1 3 315.283 3.247 50 30 DGEAHM CC(C)(C)NC(=S)N/N=C/c1c([O-])ccc2ccccc21 ZINC000000166538 431136849 /nfs/dbraw/zinc/13/68/49/431136849.db2.gz XQCCORWBEMCFPT-LICLKQGHSA-N -1 3 301.415 3.142 50 30 DGEAHM NC(=O)c1ccccc1/N=C/c1cc(Br)ccc1[O-] ZINC000000297542 431162993 /nfs/dbraw/zinc/16/29/93/431162993.db2.gz MFISNADRDTWMQG-CAOOACKPSA-N -1 3 319.158 3.004 50 30 DGEAHM CCc1noc(C)c1C(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000013327333 431554824 /nfs/dbraw/zinc/55/48/24/431554824.db2.gz UQOAKVGXSSCCQJ-UHFFFAOYSA-N -1 3 301.371 3.220 50 30 DGEAHM NC(=O)c1ccc(/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000096129737 431939951 /nfs/dbraw/zinc/93/99/51/431939951.db2.gz DSFQEGAJFQCGPZ-CAOOACKPSA-N -1 3 319.158 3.004 50 30 DGEAHM Cc1nc2ccccc2n1N=Cc1cc([O-])c(O)c(Cl)c1 ZINC000254500610 432402878 /nfs/dbraw/zinc/40/28/78/432402878.db2.gz DOQRCGOFLFNCED-UHFFFAOYSA-N -1 3 301.733 3.292 50 30 DGEAHM Cc1ccn2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)nc2c1 ZINC000084248049 292752217 /nfs/dbraw/zinc/75/22/17/292752217.db2.gz MBNLLTLIBBCQSW-LBPRGKRZSA-N -1 3 315.336 3.009 50 30 DGEAHM Cc1ccc([C@@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CCC3)s1 ZINC000018200440 301777227 /nfs/dbraw/zinc/77/72/27/301777227.db2.gz OEXSQKBAXLJCSA-LBPRGKRZSA-N -1 3 301.371 3.050 50 30 DGEAHM CC(C)Oc1ncc(C([O-])=C(C#N)c2ccccn2)cc1Cl ZINC000093244561 519785899 /nfs/dbraw/zinc/78/58/99/519785899.db2.gz BSMADIFVIWXIEN-GFCCVEGCSA-N -1 3 315.760 3.407 50 30 DGEAHM C[C@H](OCc1ccccc1)C(=O)Nc1n[n-]c(-c2ccoc2)n1 ZINC000050005765 525919807 /nfs/dbraw/zinc/91/98/07/525919807.db2.gz BRUTWTISDZARPD-NSHDSACASA-N -1 3 312.329 3.258 50 30 DGEAHM N#CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000032506187 526475060 /nfs/dbraw/zinc/47/50/60/526475060.db2.gz YSCSTHSGURAAPR-UHFFFAOYSA-N -1 3 322.773 3.043 50 30 DGEAHM COc1cc(C(=O)/C=C\c2ccc3c(c2)OCCO3)ccc1[O-] ZINC000033474367 620698024 /nfs/dbraw/zinc/69/80/24/620698024.db2.gz CMYFZVCKTYIQER-DJWKRKHSSA-N -1 3 312.321 3.068 50 30 DGEAHM COc1cc(/C=C2\Cc3ccccc3C2=O)c([N+](=O)[O-])cc1[O-] ZINC000009478005 627576012 /nfs/dbraw/zinc/57/60/12/627576012.db2.gz WIGGXKSDMYAGFT-KPKJPENVSA-N -1 3 311.293 3.131 50 30 DGEAHM C=CCn1c(=S)[n-]nc1Cc1nc2ccc(Cl)cc2[nH]1 ZINC000006498674 181346913 /nfs/dbraw/zinc/34/69/13/181346913.db2.gz DGIYKLTZTCMAQI-UHFFFAOYSA-N -1 3 305.794 3.247 50 30 DGEAHM CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccncc1)O2 ZINC000020533164 182228124 /nfs/dbraw/zinc/22/81/24/182228124.db2.gz ORIMWLHTIVHARG-BOPFTXTBSA-N -1 3 324.380 3.245 50 30 DGEAHM N#CC(=C([O-])c1cc(F)cc(Br)c1)c1ccccn1 ZINC000048540511 431927529 /nfs/dbraw/zinc/92/75/29/431927529.db2.gz XIBODGGETUXZJH-LBPRGKRZSA-N -1 3 319.133 3.473 50 30 DGEAHM Cc1nc(C=CC([O-])=C(C#N)c2nc3ccccc3o2)cs1 ZINC000096310766 431944778 /nfs/dbraw/zinc/94/47/78/431944778.db2.gz OVMMUZYWRLPZES-ZHRWSRJISA-N -1 3 309.350 3.482 50 30 DGEAHM COc1cc(C(=O)/C=C\c2ccc(OC)c(O)c2)ccc1[O-] ZINC000096792758 431956304 /nfs/dbraw/zinc/95/63/04/431956304.db2.gz ZKKWISYXRLTNAD-UTCJRWHESA-N -1 3 300.310 3.011 50 30 DGEAHM O=C(Cc1ccc2c(c1)CCC2)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053524927 431964045 /nfs/dbraw/zinc/96/40/45/431964045.db2.gz LOVRGNUPQPJRGB-UHFFFAOYSA-N -1 3 319.368 3.186 50 30 DGEAHM O=C(Cc1ccc2c(c1)CCC2)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053524927 431964048 /nfs/dbraw/zinc/96/40/48/431964048.db2.gz LOVRGNUPQPJRGB-UHFFFAOYSA-N -1 3 319.368 3.186 50 30 DGEAHM O=C(Cc1ccc2c(c1)CCC2)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053524927 431964049 /nfs/dbraw/zinc/96/40/49/431964049.db2.gz LOVRGNUPQPJRGB-UHFFFAOYSA-N -1 3 319.368 3.186 50 30 DGEAHM CN(C(=O)C(C#N)=C([O-])c1ccc(Cl)s1)c1ccccc1 ZINC000101093417 431983511 /nfs/dbraw/zinc/98/35/11/431983511.db2.gz FRUVNEXLPYRZPP-LLVKDONJSA-N -1 3 318.785 3.387 50 30 DGEAHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2C2CC2)cc1 ZINC000408515795 434584542 /nfs/dbraw/zinc/58/45/42/434584542.db2.gz JSACBALOWMMULH-HNNXBMFYSA-N -1 3 324.336 3.127 50 30 DGEAHM Cc1ccc2[n-]cc(C(=O)N(CCC#N)CC3CC3)c(=O)c2c1 ZINC000170594491 534509957 /nfs/dbraw/zinc/50/99/57/534509957.db2.gz YAFBKFNUUXGTBH-UHFFFAOYSA-N -1 3 309.369 3.015 50 30 DGEAHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccccc1C ZINC000049457987 525670936 /nfs/dbraw/zinc/67/09/36/525670936.db2.gz ONNFWURHKYZVKG-OAHLLOKOSA-N -1 3 316.364 3.374 50 30 DGEAHM O=C([N-]c1nnc(-c2ccco2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000017015879 527344190 /nfs/dbraw/zinc/34/41/90/527344190.db2.gz HBFVOQKJABWFDE-UHFFFAOYSA-N -1 3 316.298 3.343 50 30 DGEAHM C=CCc1cc(-c2nccn2-c2ccc(C(N)=O)cc2)ccc1[O-] ZINC000082086889 192354126 /nfs/dbraw/zinc/35/41/26/192354126.db2.gz CGYQUOXUCPVFDE-UHFFFAOYSA-N -1 3 319.364 3.072 50 30 DGEAHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc(F)cc1 ZINC000103504361 432010942 /nfs/dbraw/zinc/01/09/42/432010942.db2.gz ZDKBRLRWRODOPK-GFCCVEGCSA-N -1 3 316.719 3.440 50 30 DGEAHM N#CC(C(=O)Nc1ccccc1)=C([O-])C=Cc1ccc(F)cc1 ZINC000104257296 432016544 /nfs/dbraw/zinc/01/65/44/432016544.db2.gz DKHBVUYXWWZNRV-CLOOOTJHSA-N -1 3 308.312 3.186 50 30 DGEAHM COc1cc(C=NNc2ccccn2)cc(Br)c1[O-] ZINC000004982602 181183784 /nfs/dbraw/zinc/18/37/84/181183784.db2.gz NFKUEEHXLMBXFL-LZYBPNLTSA-N -1 3 322.162 3.004 50 30 DGEAHM O=C1CS/C(=N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)[N-]1 ZINC000018209202 182098924 /nfs/dbraw/zinc/09/89/24/182098924.db2.gz CXTUCDHIMAYDPK-FRKPEAEDSA-N -1 3 319.773 3.153 50 30 DGEAHM CC[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cnccn3)sc2C1 ZINC000002742249 431266686 /nfs/dbraw/zinc/26/66/86/431266686.db2.gz QFSMZTFWDATMLH-SNVBAGLBSA-N -1 3 312.398 3.177 50 30 DGEAHM Cc1c([C@H]2CC2(C)C)nc(N)c(C#N)c1-c1ccc([O-])c(O)c1 ZINC000071764328 280195280 /nfs/dbraw/zinc/19/52/80/280195280.db2.gz QILOKUSVHSRHKY-GFCCVEGCSA-N -1 3 309.369 3.436 50 30 DGEAHM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)no1 ZINC000001055685 280375797 /nfs/dbraw/zinc/37/57/97/280375797.db2.gz WRUYVPAPSGQSGG-QMMMGPOBSA-N -1 3 301.371 3.293 50 30 DGEAHM O=C(Cc1c[nH]c2ccccc12)Nc1nnc(C(F)(F)F)[n-]1 ZINC000036714167 431840621 /nfs/dbraw/zinc/84/06/21/431840621.db2.gz STBZFEXYPGVFOU-UHFFFAOYSA-N -1 3 309.251 3.136 50 30 DGEAHM O=C(Cc1c[nH]c2ccccc12)Nc1nc(C(F)(F)F)n[n-]1 ZINC000036714167 431840623 /nfs/dbraw/zinc/84/06/23/431840623.db2.gz STBZFEXYPGVFOU-UHFFFAOYSA-N -1 3 309.251 3.136 50 30 DGEAHM [O-]/N=C1/c2ccccc2-c2ccc(I)cc21 ZINC000100245611 431980880 /nfs/dbraw/zinc/98/08/80/431980880.db2.gz UPRXIRXLYQIHGY-SQFISAMPSA-N -1 3 321.117 3.498 50 30 DGEAHM CN(C(=O)C(C#N)=C([O-])c1ccc(Cl)s1)c1ccccc1 ZINC000101093414 431983413 /nfs/dbraw/zinc/98/34/13/431983413.db2.gz FRUVNEXLPYRZPP-NSHDSACASA-N -1 3 318.785 3.387 50 30 DGEAHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cc2c(s1)CCC2 ZINC000058404048 431996627 /nfs/dbraw/zinc/99/66/27/431996627.db2.gz NUAOBSYFCAYWSE-UHFFFAOYSA-N -1 3 311.370 3.053 50 30 DGEAHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cc2c(s1)CCC2 ZINC000058404048 431996629 /nfs/dbraw/zinc/99/66/29/431996629.db2.gz NUAOBSYFCAYWSE-UHFFFAOYSA-N -1 3 311.370 3.053 50 30 DGEAHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc2c(s1)CCC2 ZINC000058404048 431996631 /nfs/dbraw/zinc/99/66/31/431996631.db2.gz NUAOBSYFCAYWSE-UHFFFAOYSA-N -1 3 311.370 3.053 50 30 DGEAHM CN=c1scc(-c2cccs2)n1N=Cc1ccccc1[O-] ZINC000254702590 432405295 /nfs/dbraw/zinc/40/52/95/432405295.db2.gz UNNYCIADIRNASM-UHFFFAOYSA-N -1 3 315.423 3.396 50 30 DGEAHM Cc1cc(C=NN2CC(=O)[N-]C2=O)c2c(C)ccc(C(C)C)cc1-2 ZINC000254797791 432405395 /nfs/dbraw/zinc/40/53/95/432405395.db2.gz HSYMGPVUMOZCCY-UHFFFAOYSA-N -1 3 323.396 3.417 50 30 DGEAHM C=CCn1cc(CN2CCC[C@](CC=C(C)C)(C(=O)[O-])C2)cn1 ZINC000091997159 519276949 /nfs/dbraw/zinc/27/69/49/519276949.db2.gz ZLLKRHLLEAXGLM-GOSISDBHSA-N -1 3 317.433 3.092 50 30 DGEAHM COc1ccc(NC(=O)C(=O)C=C([O-])c2ccc(C)cc2)cc1 ZINC000102897473 1199464619 /nfs/dbraw/zinc/46/46/19/1199464619.db2.gz KJKBOUFOQWACFL-GZTJUZNOSA-N -1 3 311.337 3.267 50 30 DGEAHM Cc1ccc(C=CC([O-])=C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000103504062 432010634 /nfs/dbraw/zinc/01/06/34/432010634.db2.gz ODDVHXJQMOTWGR-FDMDGMSGSA-N -1 3 308.337 3.257 50 30 DGEAHM N#Cc1ccc(NC(=O)c2cc(-c3ccccc3[O-])on2)cc1 ZINC000003908575 181056631 /nfs/dbraw/zinc/05/66/31/181056631.db2.gz DYBHLRRPVXTDQW-UHFFFAOYSA-N -1 3 305.293 3.171 50 30 DGEAHM N#CCCn1cc(/C=N/[O-])c(-c2ccc(Br)cc2)n1 ZINC000004076734 181070244 /nfs/dbraw/zinc/07/02/44/181070244.db2.gz NSHGKOPQMJTTFU-LZYBPNLTSA-N -1 3 319.162 3.034 50 30 DGEAHM COc1ccc(/C(=N/[O-])[C@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000005526805 181253703 /nfs/dbraw/zinc/25/37/03/181253703.db2.gz FQBOLMUTDDLPMN-PSEQUABUSA-N -1 3 311.337 3.406 50 30 DGEAHM C#CCN(C(=O)c1cc(Cl)c(Cl)[n-]1)c1nccs1 ZINC000076093755 400634315 /nfs/dbraw/zinc/63/43/15/400634315.db2.gz WJDKNRFERSXLEX-UHFFFAOYSA-N -1 3 300.170 3.058 50 30 DGEAHM CC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F ZINC000000545957 431198778 /nfs/dbraw/zinc/19/87/78/431198778.db2.gz ILADKSKRQKUMHF-MRXNPFEDSA-N -1 3 311.312 3.315 50 30 DGEAHM CC([O-])=C1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F ZINC000000545957 431198783 /nfs/dbraw/zinc/19/87/83/431198783.db2.gz ILADKSKRQKUMHF-MRXNPFEDSA-N -1 3 311.312 3.315 50 30 DGEAHM CC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000000552312 431199005 /nfs/dbraw/zinc/19/90/05/431199005.db2.gz SJWUSLOWPAJDIR-MRXNPFEDSA-N -1 3 311.312 3.315 50 30 DGEAHM CC([O-])=C1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000000552312 431199012 /nfs/dbraw/zinc/19/90/12/431199012.db2.gz SJWUSLOWPAJDIR-MRXNPFEDSA-N -1 3 311.312 3.315 50 30 DGEAHM Cc1cc(C)n(/N=C/c2c([O-])ccc3ccccc32)c(=O)c1C#N ZINC000000198422 431145215 /nfs/dbraw/zinc/14/52/15/431145215.db2.gz MTYIMCIVPKLZKO-SRZZPIQSSA-N -1 3 317.348 3.078 50 30 DGEAHM C=CCc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(OC)c1[O-] ZINC000012650472 431523743 /nfs/dbraw/zinc/52/37/43/431523743.db2.gz NNLYYCHADUKRRW-UHFFFAOYSA-N -1 3 308.337 3.033 50 30 DGEAHM O=C1CCCC2=Nc3nonc3[N-][C@@H](c3cccc(Cl)c3)C12 ZINC000012390799 431505473 /nfs/dbraw/zinc/50/54/73/431505473.db2.gz FHOHKVWGPQHQHP-ZDUSSCGKSA-N -1 3 316.748 3.309 50 30 DGEAHM N#Cc1ccc(CSc2n[n-]c(-c3ccccn3)n2)c(F)c1 ZINC000096409161 431945904 /nfs/dbraw/zinc/94/59/04/431945904.db2.gz HEQKQZWBICGJIM-UHFFFAOYSA-N -1 3 311.345 3.170 50 30 DGEAHM CCOc1cc(C=N[O-])c(Br)cc1OC(C)C ZINC000252589423 432382713 /nfs/dbraw/zinc/38/27/13/432382713.db2.gz AKQFQYFSADETBO-UHFFFAOYSA-N -1 3 302.168 3.443 50 30 DGEAHM C=CCOc1ccc(CN2CCCC[C@H]2C(=O)[O-])cc1Cl ZINC000263417543 432543343 /nfs/dbraw/zinc/54/33/43/432543343.db2.gz NUALCSZDKJOIHL-AWEZNQCLSA-N -1 3 309.793 3.344 50 30 DGEAHM CC(=C([O-])NC1=NCCS1)c1c(Cl)cccc1Cl ZINC000065522864 289241387 /nfs/dbraw/zinc/24/13/87/289241387.db2.gz QTXCHKRTLMVXEP-ZETCQYMHSA-N -1 3 303.214 3.316 50 30 DGEAHM C=CCN(Cc1ccccc1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000058267363 518785487 /nfs/dbraw/zinc/78/54/87/518785487.db2.gz XOWCXCGYLNGRHD-UHFFFAOYSA-N -1 3 318.376 3.357 50 30 DGEAHM COc1cc(/C=C/C(=O)c2cnn(C(C)C)c2)cc(OC)c1[O-] ZINC000072047933 521940935 /nfs/dbraw/zinc/94/09/35/521940935.db2.gz VLMICVCFJJNAFR-AATRIKPKSA-N -1 3 316.357 3.083 50 30 DGEAHM COc1ccc(C(C)=NNc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000254567827 658126993 /nfs/dbraw/zinc/12/69/93/658126993.db2.gz SZXYTJSRSCPCKX-UHFFFAOYSA-N -1 3 301.302 3.145 50 30 DGEAHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(C)c(F)c2)c1 ZINC000103504122 432011007 /nfs/dbraw/zinc/01/10/07/432011007.db2.gz LBYNAJSWJNVVAL-HNNXBMFYSA-N -1 3 310.328 3.404 50 30 DGEAHM N#CC(C(=O)Nc1ccccc1)=C([O-])C=Cc1ccc(F)cc1 ZINC000103504241 432011279 /nfs/dbraw/zinc/01/12/79/432011279.db2.gz DKHBVUYXWWZNRV-KXKDPZRNSA-N -1 3 308.312 3.186 50 30 DGEAHM CCOC(=O)c1c(C)[n-]nc1N=NC(C)c1ccccc1Cl ZINC000004337451 181099126 /nfs/dbraw/zinc/09/91/26/181099126.db2.gz KJPMHSGKFGIVIY-RQZCQDPDSA-N -1 3 320.780 3.384 50 30 DGEAHM CCOC(=O)c1c(C)sc(C=NNc2ccccc2)c1[O-] ZINC000004989825 181185937 /nfs/dbraw/zinc/18/59/37/181185937.db2.gz SUAXCZBGDHZZPV-CXUHLZMHSA-N -1 3 304.371 3.385 50 30 DGEAHM N#CC(C(=O)Nc1cccc(Cl)c1)=C([O-])c1cccs1 ZINC000001024272 431212962 /nfs/dbraw/zinc/21/29/62/431212962.db2.gz DEGCHZWRRPNPST-LLVKDONJSA-N -1 3 304.758 3.363 50 30 DGEAHM Cc1ccc(/C=N/c2sc3c(c2C#N)CCN(C)C3)c([O-])c1 ZINC000004150643 431298371 /nfs/dbraw/zinc/29/83/71/431298371.db2.gz VSTAGXCHCITGIZ-DJKKODMXSA-N -1 3 311.410 3.372 50 30 DGEAHM C=CCNCc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000002842856 431272045 /nfs/dbraw/zinc/27/20/45/431272045.db2.gz USXCSJROEDQGLS-UHFFFAOYSA-N -1 3 316.426 3.071 50 30 DGEAHM C=CC[C@]1(C(=O)[O-])CCCN(Cc2cncn2C2CCCC2)C1 ZINC000091616739 431905469 /nfs/dbraw/zinc/90/54/69/431905469.db2.gz RUGNLBPWTWYOQA-SFHVURJKSA-N -1 3 317.433 3.241 50 30 DGEAHM COc1ccc(NC(=O)C(=O)C=C([O-])c2ccc(C)cc2)cc1 ZINC000100755226 431982535 /nfs/dbraw/zinc/98/25/35/431982535.db2.gz KJKBOUFOQWACFL-BOPFTXTBSA-N -1 3 311.337 3.267 50 30 DGEAHM N#Cc1cc(C(=O)c2ccccc2)c(C(F)(F)F)[n-]c1=S ZINC000008516270 294876273 /nfs/dbraw/zinc/87/62/73/294876273.db2.gz MEKKWKIKNNMTLL-UHFFFAOYSA-N -1 3 308.284 3.492 50 30 DGEAHM CC1CCN(c2ccc(C([O-])=C(C#N)c3ccccn3)cn2)CC1 ZINC000097136900 332193245 /nfs/dbraw/zinc/19/32/45/332193245.db2.gz QJEKLAVHHZTHKA-MRXNPFEDSA-N -1 3 320.396 3.203 50 30 DGEAHM CC(C)Oc1ncc(C([O-])=C(C#N)c2ccccn2)cc1Cl ZINC000093244560 519785816 /nfs/dbraw/zinc/78/58/16/519785816.db2.gz BSMADIFVIWXIEN-LBPRGKRZSA-N -1 3 315.760 3.407 50 30 DGEAHM COc1cc(C(=O)/C=C/c2cccc(OC)c2OC)ccc1[O-] ZINC000015352691 522049147 /nfs/dbraw/zinc/04/91/47/522049147.db2.gz WPPGFLITOHDCFP-VQHVLOKHSA-N -1 3 314.337 3.314 50 30 DGEAHM CSc1nnc(NC(=O)CSCc2ccc(C)cc2)[n-]1 ZINC000058202035 526205281 /nfs/dbraw/zinc/20/52/81/526205281.db2.gz ROCJWCXJNYPNPF-UHFFFAOYSA-N -1 3 308.432 3.356 50 30 DGEAHM CSc1n[n-]c(NC(=O)CSCc2ccc(C)cc2)n1 ZINC000058202035 526205289 /nfs/dbraw/zinc/20/52/89/526205289.db2.gz ROCJWCXJNYPNPF-UHFFFAOYSA-N -1 3 308.432 3.356 50 30 DGEAHM CSc1nc(NC(=O)CSCc2ccc(C)cc2)n[n-]1 ZINC000058202035 526205294 /nfs/dbraw/zinc/20/52/94/526205294.db2.gz ROCJWCXJNYPNPF-UHFFFAOYSA-N -1 3 308.432 3.356 50 30 DGEAHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(F)cc2)cc1 ZINC000103504521 432010957 /nfs/dbraw/zinc/01/09/57/432010957.db2.gz YVIKEMVYZHQQOM-INIZCTEOSA-N -1 3 310.328 3.349 50 30 DGEAHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(C)c(F)c2)c1 ZINC000103504125 432011426 /nfs/dbraw/zinc/01/14/26/432011426.db2.gz LBYNAJSWJNVVAL-OAHLLOKOSA-N -1 3 310.328 3.404 50 30 DGEAHM Cc1ccc(C=CC([O-])=C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000104257347 432016761 /nfs/dbraw/zinc/01/67/61/432016761.db2.gz ODDVHXJQMOTWGR-HLRDLLSLSA-N -1 3 308.337 3.257 50 30 DGEAHM COc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1Cl ZINC000005110658 181204532 /nfs/dbraw/zinc/20/45/32/181204532.db2.gz RUDOFVUFSDQCMU-CNHKJKLMSA-N -1 3 306.749 3.001 50 30 DGEAHM O=C1CS/C(=N/N=C/c2ccc(-c3cccc(Cl)c3)o2)[N-]1 ZINC000005649341 181268122 /nfs/dbraw/zinc/26/81/22/181268122.db2.gz UGMJCYJUKZBKHS-FRKPEAEDSA-N -1 3 319.773 3.153 50 30 DGEAHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000006316525 181329476 /nfs/dbraw/zinc/32/94/76/181329476.db2.gz HEULNBNUUSXXMD-UHFFFAOYSA-N -1 3 310.737 3.152 50 30 DGEAHM COc1ccc(C(=O)/C=C/c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000006641687 181363844 /nfs/dbraw/zinc/36/38/44/181363844.db2.gz XUZYUAYDDQVZBU-RUDMXATFSA-N -1 3 314.337 3.314 50 30 DGEAHM C[C@@H]1c2c(=O)[nH][n-]c2NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000018197832 182098000 /nfs/dbraw/zinc/09/80/00/182098000.db2.gz IXRJBSUXUOLBPG-YUMQZZPRSA-N -1 3 301.371 3.107 50 30 DGEAHM CS(=O)(=O)c1ccc(/N=C\c2cc(Cl)ccc2[O-])cc1 ZINC000040477031 183075518 /nfs/dbraw/zinc/07/55/18/183075518.db2.gz FDSJFLKUWMQQEE-SXGWCWSVSA-N -1 3 309.774 3.200 50 30 DGEAHM Cc1cc(C(=O)/C=C\c2cnc(C(C)(C)C)nc2)cc(O)c1[O-] ZINC000606445625 400914215 /nfs/dbraw/zinc/91/42/15/400914215.db2.gz VQOWHOCYDWQQLE-WAYWQWQTSA-N -1 3 312.369 3.390 50 30 DGEAHM CC1(C)Cc2c(C#N)c([N-]C(=O)c3ccco3)sc2CO1 ZINC000000319459 276150418 /nfs/dbraw/zinc/15/04/18/276150418.db2.gz PUDAVCOWIIQGCB-UHFFFAOYSA-N -1 3 302.355 3.316 50 30 DGEAHM [O-]c1ccccc1/C=N/NC(=S)Nc1cccc(Cl)c1 ZINC000000089705 431122319 /nfs/dbraw/zinc/12/23/19/431122319.db2.gz SHWBASTYCBOBMK-CXUHLZMHSA-N -1 3 305.790 3.366 50 30 DGEAHM Cc1c(C#N)c([N-]C(=O)c2ccco2)sc1C(=O)OC(C)C ZINC000002748292 431265973 /nfs/dbraw/zinc/26/59/73/431265973.db2.gz YDEDLBRKJNVOHP-UHFFFAOYSA-N -1 3 318.354 3.339 50 30 DGEAHM C=CCc1cc(C(=O)Nc2ccccc2[O-])cc(OC)c1OC ZINC000009691626 431443365 /nfs/dbraw/zinc/44/33/65/431443365.db2.gz OFDCDIGAVFHQIE-UHFFFAOYSA-N -1 3 313.353 3.390 50 30 DGEAHM COc1ccc(/C=C2\Oc3c(ccc([O-])c3C)C2=O)cc1OC ZINC000012878560 431532581 /nfs/dbraw/zinc/53/25/81/431532581.db2.gz HOULNYCCAXFRNL-SXGWCWSVSA-N -1 3 312.321 3.334 50 30 biogenic DGEAHM O=C1Nc2ccc(Br)cc2/C1=N/c1ccc([O-])cc1 ZINC000006534069 280303247 /nfs/dbraw/zinc/30/32/47/280303247.db2.gz GSGCZPFWJATBBQ-UHFFFAOYSA-N -1 3 317.142 3.228 50 30 DGEAHM N#CC(=C([O-])C=Cc1cnn(-c2ccccc2)c1)c1ccccn1 ZINC000049456698 431940247 /nfs/dbraw/zinc/94/02/47/431940247.db2.gz YVXXMLBJNMSVJV-FVNWOWOISA-N -1 3 314.348 3.157 50 30 DGEAHM COc1cc(C(=O)/C=C\c2cnn(-c3ccccc3)c2)ccc1[O-] ZINC000096891392 431956454 /nfs/dbraw/zinc/95/64/54/431956454.db2.gz JPOOMAQNHWUBFI-CLFYSBASSA-N -1 3 320.348 3.483 50 30 DGEAHM COc1ccc(/C(=N/[O-])[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000100338132 431981478 /nfs/dbraw/zinc/98/14/78/431981478.db2.gz FQBOLMUTDDLPMN-FXDIGPMBSA-N -1 3 311.337 3.406 50 30 DGEAHM N#Cc1ccc(CO[N-]C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006049182 294916587 /nfs/dbraw/zinc/91/65/87/294916587.db2.gz XVNNWRHRZBVWFD-UHFFFAOYSA-N -1 3 310.397 3.322 50 30 DGEAHM COc1cc(/C=C/C(=O)c2scnc2C)cc(OC)c1[O-] ZINC000063941705 432007345 /nfs/dbraw/zinc/00/73/45/432007345.db2.gz BIFPEDCFJPYEES-SNAWJCMRSA-N -1 3 305.355 3.070 50 30 DGEAHM N#Cc1ccc([O-])c(NC[C@]2(c3cccc(F)c3)CCOC2)c1 ZINC000020598146 182236460 /nfs/dbraw/zinc/23/64/60/182236460.db2.gz CZZOUJMVGHKWNU-GOSISDBHSA-N -1 3 312.344 3.173 50 30 DGEAHM Cc1nc(C=CC([O-])=C(C#N)c2nc3ccccc3o2)cs1 ZINC000058307374 184103934 /nfs/dbraw/zinc/10/39/34/184103934.db2.gz OVMMUZYWRLPZES-SYTKJHMZSA-N -1 3 309.350 3.482 50 30 DGEAHM C=CCc1cccc2cc(C(N)=O)/c(=N\c3cccc([O-])c3)oc21 ZINC000101160225 276911494 /nfs/dbraw/zinc/91/14/94/276911494.db2.gz WAOVDDALWOLVSW-XUTLUUPISA-N -1 3 320.348 3.198 50 30 DGEAHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cccs1 ZINC000000141026 431134654 /nfs/dbraw/zinc/13/46/54/431134654.db2.gz QRYUGDWPYGZWON-LLVKDONJSA-N -1 3 304.758 3.363 50 30 DGEAHM CC[C@@H]1c2c([n-]n(-c3ccccc3)c2=O)NC2=C1C(=O)CCC2 ZINC000018195867 431620487 /nfs/dbraw/zinc/62/04/87/431620487.db2.gz ZPIITDXIKFNKKV-LBPRGKRZSA-N -1 3 309.369 3.092 50 30 DGEAHM N#CC(=C([O-])c1cc(F)cc(Br)c1)c1ccccn1 ZINC000048540510 431927496 /nfs/dbraw/zinc/92/74/96/431927496.db2.gz XIBODGGETUXZJH-GFCCVEGCSA-N -1 3 319.133 3.473 50 30 DGEAHM CCc1cc(C#N)c([N-]C(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000079263958 185162797 /nfs/dbraw/zinc/16/27/97/185162797.db2.gz FJNLDICADUJORR-UHFFFAOYSA-N -1 3 307.356 3.404 50 30 DGEAHM N#CC(C(=O)Nc1ccccc1)=C([O-])C=Cc1ccc(F)cc1 ZINC000104257301 432016662 /nfs/dbraw/zinc/01/66/62/432016662.db2.gz DKHBVUYXWWZNRV-JXMNSVBMSA-N -1 3 308.312 3.186 50 30 DGEAHM Cc1ncc(CO)c(/C=N/c2ccccc2C(F)(F)F)c1[O-] ZINC000067240528 432029134 /nfs/dbraw/zinc/02/91/34/432029134.db2.gz JRRCKXWDRQJZSR-IFRROFPPSA-N -1 3 310.275 3.357 50 30 DGEAHM CCSC(=O)Nc1nnc(SCc2ccc(C#N)cc2)[n-]1 ZINC000006791004 181389974 /nfs/dbraw/zinc/38/99/74/181389974.db2.gz IVFCAUWUMGYHCI-UHFFFAOYSA-N -1 3 319.415 3.254 50 30 DGEAHM CCSC(=O)Nc1nc(SCc2ccc(C#N)cc2)n[n-]1 ZINC000006791004 181389976 /nfs/dbraw/zinc/38/99/76/181389976.db2.gz IVFCAUWUMGYHCI-UHFFFAOYSA-N -1 3 319.415 3.254 50 30 DGEAHM CCSC(=O)Nc1n[n-]c(SCc2ccc(C#N)cc2)n1 ZINC000006791004 181389977 /nfs/dbraw/zinc/38/99/77/181389977.db2.gz IVFCAUWUMGYHCI-UHFFFAOYSA-N -1 3 319.415 3.254 50 30 DGEAHM C=CCSc1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[n-]1 ZINC000018213053 182098714 /nfs/dbraw/zinc/09/87/14/182098714.db2.gz KJRRYLHOYSAFEI-UHFFFAOYSA-N -1 3 312.398 3.004 50 30 aggregator DGEAHM CN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000065617624 184374235 /nfs/dbraw/zinc/37/42/35/184374235.db2.gz XWEAKAKTBGSNAJ-UHFFFAOYSA-N -1 3 320.392 3.415 50 30 DGEAHM Cc1ccc(CSc2nncn2/N=C/c2ccc([O-])cc2)cc1 ZINC000000147664 431134602 /nfs/dbraw/zinc/13/46/02/431134602.db2.gz OOSVFGYSINBUDA-VXLYETTFSA-N -1 3 324.409 3.467 50 30 DGEAHM CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@H]2c1ccsc1 ZINC000012348681 280891834 /nfs/dbraw/zinc/89/18/34/280891834.db2.gz CAHAKAMUZXKJFV-NSHDSACASA-N -1 3 315.398 3.377 50 30 DGEAHM C=CCN(Cc1ccc(F)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000055245241 431977945 /nfs/dbraw/zinc/97/79/45/431977945.db2.gz ZUIHZFHHTIOZIS-UHFFFAOYSA-N -1 3 323.375 3.194 50 30 DGEAHM C=CCN(Cc1ccc(F)cc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000055245241 431977947 /nfs/dbraw/zinc/97/79/47/431977947.db2.gz ZUIHZFHHTIOZIS-UHFFFAOYSA-N -1 3 323.375 3.194 50 30 DGEAHM CCc1ccc([C@H]([N-]S(=O)(=O)CC2(C#N)CC2)C(C)(C)C)o1 ZINC000095944269 431926920 /nfs/dbraw/zinc/92/69/20/431926920.db2.gz HMRWHSFCUZCMDZ-AWEZNQCLSA-N -1 3 324.446 3.152 50 30 DGEAHM Cn1ncc(/N=C/c2ccccc2[O-])c1C(=O)Nc1ccccc1 ZINC000100674829 431982794 /nfs/dbraw/zinc/98/27/94/431982794.db2.gz JGNRSHYEPOEDQE-YBFXNURJSA-N -1 3 320.352 3.129 50 30 DGEAHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2C2CC2)cc1 ZINC000408515799 434583290 /nfs/dbraw/zinc/58/32/90/434583290.db2.gz JSACBALOWMMULH-OAHLLOKOSA-N -1 3 324.336 3.127 50 30 DGEAHM Cc1ccc(-c2nc(NC(=O)[C@H](C)OCC3CC3)n[n-]2)s1 ZINC000057550062 525788266 /nfs/dbraw/zinc/78/82/66/525788266.db2.gz HRHKPZZJMZAOAO-VIFPVBQESA-N -1 3 306.391 3.245 50 30 DGEAHM C[C@@H](OCc1ccccc1)C(=O)Nc1n[n-]c(-c2ccoc2)n1 ZINC000050005767 525911378 /nfs/dbraw/zinc/91/13/78/525911378.db2.gz BRUTWTISDZARPD-LLVKDONJSA-N -1 3 312.329 3.258 50 30 DGEAHM COc1cc(C(=O)/C=C\c2cccc(OC)c2OC)ccc1[O-] ZINC000097993507 657701587 /nfs/dbraw/zinc/70/15/87/657701587.db2.gz WPPGFLITOHDCFP-CLFYSBASSA-N -1 3 314.337 3.314 50 30 DGEAHM COc1cc(/C=C\C(=O)c2ccc(C#N)cc2)cc(OC)c1[O-] ZINC000096766311 185386738 /nfs/dbraw/zinc/38/67/38/185386738.db2.gz FQASRYUWQCWKCF-YVMONPNESA-N -1 3 309.321 3.177 50 30 DGEAHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(F)c2)c1 ZINC000103504075 432011053 /nfs/dbraw/zinc/01/10/53/432011053.db2.gz WSMPVEZALVSEBQ-HNNXBMFYSA-N -1 3 314.291 3.234 50 30 DGEAHM COc1cc(/C=N/[O-])ccc1OCc1ccc(NC(C)=O)cc1 ZINC000004675380 181135556 /nfs/dbraw/zinc/13/55/56/181135556.db2.gz SLRFAEFGZMCYKS-VCHYOVAHSA-N -1 3 314.341 3.041 50 30 DGEAHM N#Cc1c(N)nc2c(c1-c1ccc([O-])cc1)Cc1c-2cccc1O ZINC000071763727 283078009 /nfs/dbraw/zinc/07/80/09/283078009.db2.gz POZBMIMBTONEGM-UHFFFAOYSA-N -1 3 315.332 3.185 50 30 DGEAHM O=S(=O)(/N=C\c1c([O-])ccc2ccccc21)c1ccccc1 ZINC000013126784 181830971 /nfs/dbraw/zinc/83/09/71/181830971.db2.gz ROCKULJGBMKWIA-PDGQHHTCSA-N -1 3 311.362 3.353 50 30 DGEAHM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000016129589 182035025 /nfs/dbraw/zinc/03/50/25/182035025.db2.gz GQPPCVAPXZPZEQ-UHFFFAOYSA-N -1 3 310.737 3.152 50 30 DGEAHM CCc1nc2ccc(C(=O)Nc3ncccc3[O-])cc2nc1CC ZINC000040013033 183028431 /nfs/dbraw/zinc/02/84/31/183028431.db2.gz DYWVTSVZJAESBA-UHFFFAOYSA-N -1 3 322.368 3.492 50 30 DGEAHM CS(=O)(=O)[N-]c1ccc(C(=O)/C=C/c2cccc(F)c2)cc1 ZINC000064307955 184293880 /nfs/dbraw/zinc/29/38/80/184293880.db2.gz GHYQUMFMUQPLSQ-BJMVGYQFSA-N -1 3 319.357 3.093 50 30 DGEAHM Cc1cc(C(=O)/C=C/c2cnc(C(C)(C)C)nc2)cc(O)c1[O-] ZINC000585136197 400127635 /nfs/dbraw/zinc/12/76/35/400127635.db2.gz VQOWHOCYDWQQLE-AATRIKPKSA-N -1 3 312.369 3.390 50 30 DGEAHM NC(=O)c1cccc(/N=C/c2cc(Br)ccc2[O-])c1 ZINC000000047882 431113573 /nfs/dbraw/zinc/11/35/73/431113573.db2.gz DPBKWTLAKLQDHY-CAOOACKPSA-N -1 3 319.158 3.004 50 30 DGEAHM Cc1sc([N-]C(=S)NC(=O)c2ccccc2)c(C#N)c1C ZINC000000477639 431190093 /nfs/dbraw/zinc/19/00/93/431190093.db2.gz ZTHSZRWHXPFGAR-UHFFFAOYSA-N -1 3 315.423 3.363 50 30 DGEAHM O=[N+]([O-])c1ccccc1C=NNC([S-])=Nc1ccccc1 ZINC000000525241 431196553 /nfs/dbraw/zinc/19/65/53/431196553.db2.gz WSAKIIYETTUERT-XNTDXEJSSA-N -1 3 300.343 3.327 50 30 DGEAHM CC(=O)C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000000546641 431199952 /nfs/dbraw/zinc/19/99/52/431199952.db2.gz FYVLWKXURUOASA-INIZCTEOSA-N -1 3 311.312 3.315 50 30 DGEAHM CC([O-])=C1C(=O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000000546641 431199958 /nfs/dbraw/zinc/19/99/58/431199958.db2.gz FYVLWKXURUOASA-INIZCTEOSA-N -1 3 311.312 3.315 50 30 DGEAHM Cc1cc(C(=O)[N-]c2n[nH]c(-c3cccc(Cl)c3)n2)no1 ZINC000075127118 431454133 /nfs/dbraw/zinc/45/41/33/431454133.db2.gz ZJTOMZMLNXYNOZ-UHFFFAOYSA-N -1 3 303.709 3.058 50 30 DGEAHM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)no1 ZINC000009204087 431427792 /nfs/dbraw/zinc/42/77/92/431427792.db2.gz SBOIAZRDHCHVBU-UHFFFAOYSA-N -1 3 301.371 3.437 50 30 DGEAHM Cc1cc(C)cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000014247496 431587867 /nfs/dbraw/zinc/58/78/67/431587867.db2.gz CTKFZHYBXJDKJV-UHFFFAOYSA-N -1 3 323.396 3.052 50 30 DGEAHM Cc1csc(C(C#N)=C([O-])c2cccc(Cn3ccnc3)c2)n1 ZINC000241171033 432815817 /nfs/dbraw/zinc/81/58/17/432815817.db2.gz KDSSSXOYTCDUHS-OAHLLOKOSA-N -1 3 322.393 3.186 50 30 DGEAHM C=CCn1cc(CN2CCC[C@@](CC=C(C)C)(C(=O)[O-])C2)cn1 ZINC000091997160 519279023 /nfs/dbraw/zinc/27/90/23/519279023.db2.gz ZLLKRHLLEAXGLM-SFHVURJKSA-N -1 3 317.433 3.092 50 30 DGEAHM [O-]c1ccccc1/C=N/N1CCN(c2ccc(Cl)cc2)CC1 ZINC000000435371 431182816 /nfs/dbraw/zinc/18/28/16/431182816.db2.gz OQQNXFILAVXUHH-CPNJWEJPSA-N -1 3 315.804 3.202 50 30 DGEAHM N#CC(C(=O)Nc1cccc(Cl)c1)=C([O-])c1cccs1 ZINC000001024271 431213191 /nfs/dbraw/zinc/21/31/91/431213191.db2.gz DEGCHZWRRPNPST-NSHDSACASA-N -1 3 304.758 3.363 50 30 DGEAHM O=C1[N-]/C(=N/c2ccc(F)cc2)S[C@@H]1Cc1ccc(F)cc1 ZINC000005649527 431311323 /nfs/dbraw/zinc/31/13/23/431311323.db2.gz HSBFMPCYFMWBFX-CQSZACIVSA-N -1 3 318.348 3.427 50 30 DGEAHM [O-]c1ccc2ccccc2c1/C=N\Cc1nnc2ccccn21 ZINC000007973800 431373189 /nfs/dbraw/zinc/37/31/89/431373189.db2.gz VLSCDCZTYMTRIZ-ODLFYWEKSA-N -1 3 302.337 3.207 50 30 DGEAHM COc1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)c(OC)c1 ZINC000008322721 431393774 /nfs/dbraw/zinc/39/37/74/431393774.db2.gz XSUOZYHRMKKNBH-VMPITWQZSA-N -1 3 314.337 3.314 50 30 DGEAHM Cc1cc(=O)oc2c3c(ccc12)O/C(=C\c1ccccc1[O-])C3=O ZINC000020663624 280306209 /nfs/dbraw/zinc/30/62/09/280306209.db2.gz LWGSHLQFZCNFGD-DHDCSXOGSA-N -1 3 320.300 3.423 50 30 biogenic DGEAHM CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@@H]2c1cccs1 ZINC000012347842 280891802 /nfs/dbraw/zinc/89/18/02/280891802.db2.gz JHEQPFRSJYHRMW-GFCCVEGCSA-N -1 3 315.398 3.377 50 30 DGEAHM CS(=O)(=O)[N-]c1ccc(C(=O)/C=C\c2cccc(F)c2)cc1 ZINC000096188012 431941193 /nfs/dbraw/zinc/94/11/93/431941193.db2.gz GHYQUMFMUQPLSQ-YHYXMXQVSA-N -1 3 319.357 3.093 50 30 DGEAHM CN1C(=O)c2ccc(N=Cc3cc(Cl)ccc3[O-])cc2C1=O ZINC000254618749 432403176 /nfs/dbraw/zinc/40/31/76/432403176.db2.gz AVHCKNGKVNWMOT-UHFFFAOYSA-N -1 3 314.728 3.022 50 30 DGEAHM O=C(NCc1ccc([O-])c2ncccc12)[C@@H]1CCCCC(=O)N1 ZINC000328600751 434289357 /nfs/dbraw/zinc/28/93/57/434289357.db2.gz ZMIOVRWEHZXOLK-ZDUSSCGKSA-N -1 3 313.357 3.296 50 30 DGEAHM N#CC(=C([O-])C1=Cc2ccccc2OC1)c1nc2ccccc2[nH]1 ZINC000065518730 526490576 /nfs/dbraw/zinc/49/05/76/526490576.db2.gz MZQGPEWZJPSZEJ-AWEZNQCLSA-N -1 3 315.332 3.215 50 30 DGEAHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc2ccccc2s1 ZINC000103277211 432005332 /nfs/dbraw/zinc/00/53/32/432005332.db2.gz GSRQAMYAAMRZKP-GFCCVEGCSA-N -1 3 321.361 3.257 50 30 DGEAHM C=CCc1cccc(/C=N/NC(=S)NC2CCCCC2)c1[O-] ZINC000004210966 181085443 /nfs/dbraw/zinc/08/54/43/181085443.db2.gz HRXFNBBKHUEIGU-LDADJPATSA-N -1 3 317.458 3.251 50 30 DGEAHM COc1cc(Cl)c(C)cc1/N=C/c1c([O-])c(C)ncc1CO ZINC000005110683 181204598 /nfs/dbraw/zinc/20/45/98/181204598.db2.gz YYUAMOYJJQBGTR-FBCYGCLPSA-N -1 3 320.776 3.309 50 30 DGEAHM CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccnc1)O2 ZINC000020504074 182225333 /nfs/dbraw/zinc/22/53/33/182225333.db2.gz IENZHOIPKYAEPJ-YVLHZVERSA-N -1 3 324.380 3.245 50 30 DGEAHM [O-]c1ccc(Br)cc1/C=N/n1cnc2ccccc21 ZINC000000532970 431198126 /nfs/dbraw/zinc/19/81/26/431198126.db2.gz VUPLVNXXLZLDAX-CAOOACKPSA-N -1 3 316.158 3.387 50 30 DGEAHM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1 ZINC000007387692 431343397 /nfs/dbraw/zinc/34/33/97/431343397.db2.gz UHYVHRCKJQLBNV-UHFFFAOYSA-N -1 3 310.737 3.152 50 30 DGEAHM O=C1c2cccc([O-])c2C/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000011335891 431471661 /nfs/dbraw/zinc/47/16/61/431471661.db2.gz KMMSCCKXEWWRRV-QINSGFPZSA-N -1 3 321.376 3.051 50 30 DGEAHM Cc1ccc(O[C@H](C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000036714119 431840672 /nfs/dbraw/zinc/84/06/72/431840672.db2.gz GZVKOIJGRVRXJN-MRVPVSSYSA-N -1 3 314.267 3.187 50 30 DGEAHM Cc1ccc(O[C@H](C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000036714119 431840675 /nfs/dbraw/zinc/84/06/75/431840675.db2.gz GZVKOIJGRVRXJN-MRVPVSSYSA-N -1 3 314.267 3.187 50 30 DGEAHM CCc1ccc([C@@H]([N-]S(=O)(=O)CC2(C#N)CC2)C(C)(C)C)o1 ZINC000095944270 431927226 /nfs/dbraw/zinc/92/72/26/431927226.db2.gz HMRWHSFCUZCMDZ-CQSZACIVSA-N -1 3 324.446 3.152 50 30 DGEAHM N#CCCN(Cc1ccco1)C(=O)Cc1ccc([O-])cc1Cl ZINC000097059178 431958461 /nfs/dbraw/zinc/95/84/61/431958461.db2.gz WMHRLLRZFJLHLV-UHFFFAOYSA-N -1 3 318.760 3.124 50 30 DGEAHM COc1ccc(C)cc1NC(=O)C(=O)C=C([O-])c1ccccc1 ZINC000101355145 431983927 /nfs/dbraw/zinc/98/39/27/431983927.db2.gz DHNJCKHTSZIARV-WJDWOHSUSA-N -1 3 311.337 3.267 50 30 DGEAHM O=C(Nc1nnc2ccccn21)c1cc([O-])ccc1C(F)(F)F ZINC000330032273 432889954 /nfs/dbraw/zinc/88/99/54/432889954.db2.gz KQBYSVMOZZHKIG-UHFFFAOYSA-N -1 3 322.246 3.090 50 30 DGEAHM COc1cc(C(=O)/C=C/c2ccccc2[O-])cc(OC)c1OC ZINC000040938601 522048627 /nfs/dbraw/zinc/04/86/27/522048627.db2.gz RKKOGMRFEQAADP-CMDGGOBGSA-N -1 3 314.337 3.314 50 30 DGEAHM COc1cc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)ccc1[O-] ZINC000007909578 522050752 /nfs/dbraw/zinc/05/07/52/522050752.db2.gz JPOOMAQNHWUBFI-VQHVLOKHSA-N -1 3 320.348 3.483 50 30 DGEAHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)OCC3CC3)n[n-]2)s1 ZINC000057550061 525786795 /nfs/dbraw/zinc/78/67/95/525786795.db2.gz HRHKPZZJMZAOAO-SECBINFHSA-N -1 3 306.391 3.245 50 30 DGEAHM O=C1c2ccc(O)cc2O/C1=C\c1cc(O)c([O-])c(Cl)c1 ZINC000089807647 662248517 /nfs/dbraw/zinc/24/85/17/662248517.db2.gz YBWHSNIJGWVIJN-ACAGNQJTSA-N -1 3 304.685 3.073 50 30 DGEAHM COc1cc(C(=O)/C=C\c2ccc(OC)c(F)c2)ccc1[O-] ZINC000096891389 185390374 /nfs/dbraw/zinc/39/03/74/185390374.db2.gz VQCCPFVVJLOQPC-UTCJRWHESA-N -1 3 302.301 3.445 50 30 DGEAHM CCC(=O)N=C(N=c1[nH]c2ccccc2s1)[N-]C(=O)CC ZINC000004325570 181097900 /nfs/dbraw/zinc/09/79/00/181097900.db2.gz WQUITCPFPXMADZ-UHFFFAOYSA-N -1 3 304.375 3.367 50 30 DGEAHM N#Cc1c2c(sc1[N-]C(=O)c1noc3c1CCCC3)CCC2 ZINC000000426535 283083190 /nfs/dbraw/zinc/08/31/90/283083190.db2.gz GQOOVLDOQVJXGH-UHFFFAOYSA-N -1 3 313.382 3.228 50 30 DGEAHM CCn1nccc1C(=O)/C=C\c1cc(Br)ccc1[O-] ZINC000006634708 181363225 /nfs/dbraw/zinc/36/32/25/181363225.db2.gz PXVOOQLSCOTDMO-HYXAFXHYSA-N -1 3 321.174 3.267 50 30 DGEAHM Cc1c([C@@H]2CC2(C)C)nc(N)c(C#N)c1-c1ccc([O-])c(O)c1 ZINC000071764327 431288015 /nfs/dbraw/zinc/28/80/15/431288015.db2.gz QILOKUSVHSRHKY-LBPRGKRZSA-N -1 3 309.369 3.436 50 30 DGEAHM [O-]C1=CC(c2ccccc2)C=C(O)C1c1nc2ccccc2[nH]1 ZINC000009575385 431439826 /nfs/dbraw/zinc/43/98/26/431439826.db2.gz BXNZUCOTALMNQO-UHFFFAOYSA-N -1 3 304.349 3.451 50 30 DGEAHM O=C1CCCC2=Nc3nonc3[N-][C@H](c3cccc(Cl)c3)C12 ZINC000012390800 431507828 /nfs/dbraw/zinc/50/78/28/431507828.db2.gz FHOHKVWGPQHQHP-CYBMUJFWSA-N -1 3 316.748 3.309 50 30 DGEAHM O=c1[n-][nH]c2c1[C@H](c1cccc(Cl)c1)C1=C(CCCC1=O)N2 ZINC000018195510 431618495 /nfs/dbraw/zinc/61/84/95/431618495.db2.gz WVPMAQUETDNBPF-GFCCVEGCSA-N -1 3 315.760 3.333 50 30 DGEAHM O=c1[nH][n-]c2c1[C@H](c1cccc(Cl)c1)C1=C(CCCC1=O)N2 ZINC000018195510 431618497 /nfs/dbraw/zinc/61/84/97/431618497.db2.gz WVPMAQUETDNBPF-GFCCVEGCSA-N -1 3 315.760 3.333 50 30 DGEAHM O=C(/C=C\c1cc(Br)ccc1[O-])c1cccnc1 ZINC000035678867 527653661 /nfs/dbraw/zinc/65/36/61/527653661.db2.gz WGDGKNUHKVNDRF-HYXAFXHYSA-N -1 3 304.143 3.446 50 30 DGEAHM COC(=O)CS/C(=C(\C=N\[O-])c1ccccc1)C(F)(F)F ZINC000004617688 181129911 /nfs/dbraw/zinc/12/99/11/181129911.db2.gz BMELLFVHPJUHQX-CNCXCOSGSA-N -1 3 319.304 3.326 50 30 DGEAHM C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000015661983 182010397 /nfs/dbraw/zinc/01/03/97/182010397.db2.gz RPTPBUSRPQDVRV-ATVHPVEESA-N -1 3 305.333 3.062 50 30 DGEAHM Cc1ccc(CN2CCN(/N=C/c3ccccc3[O-])CC2)c(C)c1 ZINC000019791190 182149020 /nfs/dbraw/zinc/14/90/20/182149020.db2.gz FGGHCLKXAKTTDB-KGENOOAVSA-N -1 3 323.440 3.161 50 30 DGEAHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cscc2C)cc1 ZINC000175114327 400865516 /nfs/dbraw/zinc/86/55/16/400865516.db2.gz BCVYWQKCWPGDSA-CYBMUJFWSA-N -1 3 314.366 3.026 50 30 DGEAHM COc1ccc(N2C(=O)C(=O)C(=C(C)[O-])[C@H]2c2ccccc2)cc1 ZINC000000444260 431182264 /nfs/dbraw/zinc/18/22/64/431182264.db2.gz HCZLIWIDIICWKB-QGZVFWFLSA-N -1 3 323.348 3.184 50 30 DGEAHM C=CCSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000002717812 431265247 /nfs/dbraw/zinc/26/52/47/431265247.db2.gz VUYKNPJOVZSZLX-UHFFFAOYSA-N -1 3 318.789 3.453 50 30 DGEAHM N#Cc1ccc(NC(=O)c2cnc3ccc(Cl)cc3c2[O-])cc1 ZINC000032604984 431784372 /nfs/dbraw/zinc/78/43/72/431784372.db2.gz HTNDDEWWVLLZBK-UHFFFAOYSA-N -1 3 323.739 3.305 50 30 DGEAHM COc1cc(/C=C\C(=O)c2cccc(C#N)c2)cc(OC)c1[O-] ZINC000096291480 431943367 /nfs/dbraw/zinc/94/33/67/431943367.db2.gz FRRASZBFDRGEBM-SREVYHEPSA-N -1 3 309.321 3.177 50 30 DGEAHM COc1cc(C(=O)/C=C\c2ccc(-n3ccnc3)cc2)ccc1[O-] ZINC000096843654 431956152 /nfs/dbraw/zinc/95/61/52/431956152.db2.gz SMQRJEDBMSMVQN-YWEYNIOJSA-N -1 3 320.348 3.483 50 30 DGEAHM CCc1ccccc1OCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053524714 431964395 /nfs/dbraw/zinc/96/43/95/431964395.db2.gz PYSXXWDHNGOFOS-UHFFFAOYSA-N -1 3 323.356 3.096 50 30 DGEAHM CCc1ccccc1OCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053524714 431964398 /nfs/dbraw/zinc/96/43/98/431964398.db2.gz PYSXXWDHNGOFOS-UHFFFAOYSA-N -1 3 323.356 3.096 50 30 DGEAHM CCc1ccccc1OCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053524714 431964400 /nfs/dbraw/zinc/96/44/00/431964400.db2.gz PYSXXWDHNGOFOS-UHFFFAOYSA-N -1 3 323.356 3.096 50 30 DGEAHM [O-]c1ccccc1/C=N/n1cnnc1SCc1ccccc1 ZINC000000147648 526370558 /nfs/dbraw/zinc/37/05/58/526370558.db2.gz ZUSVJDDUNVFKIZ-VCHYOVAHSA-N -1 3 310.382 3.158 50 30 DGEAHM Cc1sc2ncnc([N-]N=C3c4ccccc4NC3=O)c2c1C ZINC000100563380 282489296 /nfs/dbraw/zinc/48/92/96/282489296.db2.gz KDDIJCATJHUXAD-UHFFFAOYSA-N -1 3 323.381 3.076 50 30 DGEAHM CCN(CC)c1ccc(/C=N/c2ccc(C(N)=O)cc2)c([O-])c1 ZINC000000062410 180681348 /nfs/dbraw/zinc/68/13/48/180681348.db2.gz JIEAKXSYSXRZTK-UDWIEESQSA-N -1 3 311.385 3.088 50 30 DGEAHM CC(C)CC(=O)NC(=S)[N-]c1sc2c(c1C#N)CCCC2 ZINC000004657055 181132905 /nfs/dbraw/zinc/13/29/05/181132905.db2.gz GXVDVOXDKCMRME-UHFFFAOYSA-N -1 3 321.471 3.358 50 30 DGEAHM COc1cccc(/C=N/c2ccc([N+](=O)[O-])cc2OC)c1[O-] ZINC000004793349 181152429 /nfs/dbraw/zinc/15/24/29/181152429.db2.gz VICFMYCKSHHTRZ-CXUHLZMHSA-N -1 3 302.286 3.068 50 30 DGEAHM O=C1Nc2ccccc2C1=N[N-]c1nnc(Cl)c2ccccc21 ZINC000004812336 181155491 /nfs/dbraw/zinc/15/54/91/181155491.db2.gz RLSJPURCBRTRDT-UHFFFAOYSA-N -1 3 323.743 3.052 50 30 DGEAHM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2sccc2C#N)C1 ZINC000017031053 182068792 /nfs/dbraw/zinc/06/87/92/182068792.db2.gz POGWQBTURVPANA-NEPJUHHUSA-N -1 3 304.371 3.005 50 30 DGEAHM Cc1cnn(CCC(=O)Nc2n[n-]c(-c3ccc(C)s3)n2)c1 ZINC000057549913 184042133 /nfs/dbraw/zinc/04/21/33/184042133.db2.gz RNFPOTJIXWBRBD-UHFFFAOYSA-N -1 3 316.390 3.025 50 30 DGEAHM C=CCSc1nnc([N-]C(=O)c2cc(F)cc(F)c2)s1 ZINC000006639259 257265941 /nfs/dbraw/zinc/26/59/41/257265941.db2.gz CZJWXNAYITVWKW-UHFFFAOYSA-N -1 3 313.354 3.347 50 30 DGEAHM Cc1csc(N=NCc2cc(Br)ccc2[O-])n1 ZINC000004749510 425620892 /nfs/dbraw/zinc/62/08/92/425620892.db2.gz MFUNEWKORRMMRX-WLRTZDKTSA-N -1 3 312.192 3.366 50 30 DGEAHM Cn1c2ccc(/N=C/c3cc(Cl)ccc3[O-])cc2nc1CO ZINC000000198850 431143453 /nfs/dbraw/zinc/14/34/53/431143453.db2.gz NBEJBFGOMFKVFM-QGMBQPNBSA-N -1 3 315.760 3.175 50 30 DGEAHM CC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccccc1F ZINC000000545956 431199618 /nfs/dbraw/zinc/19/96/18/431199618.db2.gz ILADKSKRQKUMHF-INIZCTEOSA-N -1 3 311.312 3.315 50 30 DGEAHM CC([O-])=C1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1F ZINC000000545956 431199626 /nfs/dbraw/zinc/19/96/26/431199626.db2.gz ILADKSKRQKUMHF-INIZCTEOSA-N -1 3 311.312 3.315 50 30 DGEAHM Cc1c(C(=O)NCc2ccco2)oc2c1/C(=N/[O-])CC(C)(C)C2 ZINC000005323360 431309380 /nfs/dbraw/zinc/30/93/80/431309380.db2.gz FVBRZQIMOACBKF-XDHOZWIPSA-N -1 3 316.357 3.262 50 30 DGEAHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1[O-] ZINC000072003509 431326893 /nfs/dbraw/zinc/32/68/93/431326893.db2.gz SNFLGJBNKCPEGT-QGZVFWFLSA-N -1 3 310.353 3.306 50 30 DGEAHM COc1ccc(/C=C2\Oc3c(ccc([O-])c3C)C2=O)c(OC)c1 ZINC000012875038 431531127 /nfs/dbraw/zinc/53/11/27/431531127.db2.gz IAYCHLWZCYSNRX-PXNMLYILSA-N -1 3 312.321 3.334 50 30 biogenic DGEAHM Cc1ccc(C([O-])=Cc2cc(C#N)c(C#N)cc2[N+](=O)[O-])cc1 ZINC000078546317 431679432 /nfs/dbraw/zinc/67/94/32/431679432.db2.gz DKEQSAWEFUOXIA-UHFFFAOYSA-N -1 3 305.293 3.072 50 30 DGEAHM N#CC(=C([O-])C=Cc1cnn(-c2ccccc2)c1)c1ccccn1 ZINC000049456700 431939909 /nfs/dbraw/zinc/93/99/09/431939909.db2.gz YVXXMLBJNMSVJV-OAGJVSPASA-N -1 3 314.348 3.157 50 30 DGEAHM COc1ccc(/C=C\C(=O)c2cccc([O-])c2)c(OC)c1OC ZINC000096400370 431945525 /nfs/dbraw/zinc/94/55/25/431945525.db2.gz CPBOUCVFPVSCJH-CLFYSBASSA-N -1 3 314.337 3.314 50 30 DGEAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2)c(C)c1 ZINC000000303946 301200282 /nfs/dbraw/zinc/20/02/82/301200282.db2.gz CTVPJAUVXYOCGZ-UHFFFAOYSA-N -1 3 300.383 3.284 50 30 DGEAHM CC(C)n1cc(C#N)c([N-]C(=O)c2c(F)cc(F)cc2F)n1 ZINC000084633148 545792361 /nfs/dbraw/zinc/79/23/61/545792361.db2.gz VGTFKEQKMRUASZ-UHFFFAOYSA-N -1 3 308.263 3.005 50 30 DGEAHM Cc1sc([N-]C(=O)c2ccccc2[N+](=O)[O-])c(C#N)c1C ZINC000004554536 181123909 /nfs/dbraw/zinc/12/39/09/181123909.db2.gz VHBNHGKVMDLOEZ-UHFFFAOYSA-N -1 3 301.327 3.397 50 30 DGEAHM COc1ccc(/C(=N/[O-])[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000005526803 181253874 /nfs/dbraw/zinc/25/38/74/181253874.db2.gz FQBOLMUTDDLPMN-VVWDJWGFSA-N -1 3 311.337 3.406 50 30 DGEAHM COc1cc(C(=O)/C=C/c2ccc3c(c2)OCCO3)ccc1[O-] ZINC000006433137 181340977 /nfs/dbraw/zinc/34/09/77/181340977.db2.gz CMYFZVCKTYIQER-GORDUTHDSA-N -1 3 312.321 3.068 50 30 DGEAHM CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccco1)O2 ZINC000020503160 182225324 /nfs/dbraw/zinc/22/53/24/182225324.db2.gz OQKGKGGGCNKVKJ-YBEGLDIGSA-N -1 3 313.353 3.443 50 30 DGEAHM O=c1[n-][nH]c2c1[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000018195432 296317057 /nfs/dbraw/zinc/31/70/57/296317057.db2.gz DJLCQTUDURXTRL-GFCCVEGCSA-N -1 3 315.760 3.333 50 30 DGEAHM O=c1[nH][n-]c2c1[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000018195432 296317060 /nfs/dbraw/zinc/31/70/60/296317060.db2.gz DJLCQTUDURXTRL-GFCCVEGCSA-N -1 3 315.760 3.333 50 30 DGEAHM COc1c(C/N=C/c2c([O-])ccc3ccccc32)c(C)nn1C ZINC000156828201 533414616 /nfs/dbraw/zinc/41/46/16/533414616.db2.gz OZVCWLGYJYSCMP-YBFXNURJSA-N -1 3 309.369 3.215 50 30 DGEAHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)cc(=O)[nH]1 ZINC000170593195 228268181 /nfs/dbraw/zinc/26/81/81/228268181.db2.gz RQMRZLXMJWTCTE-NSHDSACASA-N -1 3 309.350 3.195 50 30 DGEAHM [O-]c1ccc(Cl)c(/C=N/C[C@H]2COc3ccccc3O2)c1 ZINC000000186711 431142654 /nfs/dbraw/zinc/14/26/54/431142654.db2.gz AHXIGGHCYZNKTB-VFJJTOLMSA-N -1 3 303.745 3.305 50 30 DGEAHM O=C(CCc1ccc(F)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000012974011 431542124 /nfs/dbraw/zinc/54/21/24/431542124.db2.gz VLJCTULTOWZGJZ-UHFFFAOYSA-N -1 3 302.231 3.183 50 30 DGEAHM O=C(CCc1ccc(F)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000012974011 431542129 /nfs/dbraw/zinc/54/21/29/431542129.db2.gz VLJCTULTOWZGJZ-UHFFFAOYSA-N -1 3 302.231 3.183 50 30 DGEAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@@H]2c2cccs2)C1 ZINC000004770191 280893001 /nfs/dbraw/zinc/89/30/01/280893001.db2.gz PZDIBCCRARWWFI-GFCCVEGCSA-N -1 3 316.386 3.353 50 30 DGEAHM Cc1c(C(=O)Nc2cccnc2)oc2c1/C(=N\[O-])CC(C)(C)C2 ZINC000100931483 431983078 /nfs/dbraw/zinc/98/30/78/431983078.db2.gz YKHSNDAFMYDBPO-NDENLUEZSA-N -1 3 313.357 3.386 50 30 DGEAHM COc1ccccc1C([O-])=Cc1nc2ccc(C)cc2[nH]c1=O ZINC000670416571 547751847 /nfs/dbraw/zinc/75/18/47/547751847.db2.gz UBYIHYWCYABODY-GDNBJRDFSA-N -1 3 308.337 3.134 50 30 DGEAHM