smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCCOC(=O)c1c[n-]c(=NCC)s1 ZINC000381457736 710640319 /nfs/dbraw/zinc/64/03/19/710640319.db2.gz JXPGOHJXGAEXGP-UHFFFAOYSA-N -1 3 240.328 2.120 20 30 BEEDHM C#C[C@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000309162759 711662732 /nfs/dbraw/zinc/66/27/32/711662732.db2.gz ZSWVNYPZILRGPV-ZETCQYMHSA-N -1 3 227.666 2.296 20 30 BEEDHM CC(C)(C)C#CC(=O)[N-]OCc1ccc(F)cc1 ZINC000837529014 711870609 /nfs/dbraw/zinc/87/06/09/711870609.db2.gz HAWMDINCHHOZSG-UHFFFAOYSA-N -1 3 249.285 2.423 20 30 BEEDHM C=CC(C)(C)CCNC(=O)c1cccc(O)c1[O-] ZINC000701854245 712031275 /nfs/dbraw/zinc/03/12/75/712031275.db2.gz HYCMRGXUIQQIEP-UHFFFAOYSA-N -1 3 249.310 2.430 20 30 BEEDHM C#C[C@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC000702240233 712040784 /nfs/dbraw/zinc/04/07/84/712040784.db2.gz QMFHGTSFWOJNNX-LBPRGKRZSA-N -1 3 231.295 2.170 20 30 BEEDHM C#CCCCCNC(=O)c1c(C)cccc1[O-] ZINC000706562189 712150202 /nfs/dbraw/zinc/15/02/02/712150202.db2.gz XBVRHIPDJSDUFI-UHFFFAOYSA-N -1 3 231.295 2.234 20 30 BEEDHM CCC(=NN=c1cc[n-]n1C)c1cccs1 ZINC000774411498 712376313 /nfs/dbraw/zinc/37/63/13/712376313.db2.gz RRHYJRXRCHKKFU-UHFFFAOYSA-N -1 3 234.328 2.130 20 30 BEEDHM C=C[C@](C)(O)CNc1c([O-])cc(F)cc1F ZINC001252559630 968804625 /nfs/dbraw/zinc/80/46/25/968804625.db2.gz ABHYIVGZLKDNCU-NSHDSACASA-N -1 3 229.226 2.019 20 30 BEEDHM C#C[C@@H](Oc1[n-]c(=S)ncc1CC)C(C)C ZINC001227063923 975249466 /nfs/dbraw/zinc/24/94/66/975249466.db2.gz OSNKTANIPYTELR-SNVBAGLBSA-N -1 3 236.340 2.364 20 30 BEEDHM C#CCN(C)Cc1cc(Cl)cc(F)c1[O-] ZINC001237622685 979977632 /nfs/dbraw/zinc/97/76/32/979977632.db2.gz WTEBOXLSCRKHIU-UHFFFAOYSA-N -1 3 227.666 2.250 20 30 BEEDHM CCn1nccc1-c1ccccc1C=N[O-] ZINC001240712389 981695785 /nfs/dbraw/zinc/69/57/85/981695785.db2.gz IDGAHHQDKUSLLN-UHFFFAOYSA-N -1 3 215.256 2.378 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)c1c(F)cccc1F ZINC001300211455 982713923 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/nfs/dbraw/zinc/29/50/37/958295037.db2.gz XVCVBZFWCCUJFS-UHFFFAOYSA-N -1 3 244.229 2.245 20 30 BEEDHM CCCCCCCN1CCOC[C@H]1CC(=O)[O-] ZINC000128619560 958670350 /nfs/dbraw/zinc/67/03/50/958670350.db2.gz SDLYBVYFHVMNAQ-GFCCVEGCSA-N -1 3 243.347 2.132 20 30 BEEDHM N#C[C@H]1CC[C@H](Nc2ccc(=S)[n-]n2)CC1 ZINC001167842745 961242582 /nfs/dbraw/zinc/24/25/82/961242582.db2.gz QGYHUKHJOHGHJA-KYZUINATSA-N -1 3 234.328 2.260 20 30 BEEDHM C#C[C@@H](Oc1ccc2c([O-])coc2c1)C(C)C ZINC001225340703 962080683 /nfs/dbraw/zinc/08/06/83/962080683.db2.gz RETFMSOWYTUGKJ-CYBMUJFWSA-N -1 3 230.263 2.298 20 30 BEEDHM C#C[C@@H](CCC)Oc1[n-]c(C)cc(=O)c1C#N ZINC001225469515 962175504 /nfs/dbraw/zinc/17/55/04/962175504.db2.gz LPHNWMOEZADAIP-JTQLQIEISA-N -1 3 230.267 2.148 20 30 BEEDHM C=C(CC)C(=O)Nc1cccc([O-])c1F ZINC001151097250 962247756 /nfs/dbraw/zinc/24/77/56/962247756.db2.gz HSHORLKLOWXFKY-UHFFFAOYSA-N -1 3 209.220 2.436 20 30 BEEDHM N#C[C@H]1CCCN(Cc2ccc([O-])c(F)c2)C1 ZINC000896505991 963468948 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/nfs/dbraw/zinc/69/20/92/972692092.db2.gz HSQDCPLYCFEPLZ-UHFFFAOYSA-N -1 3 246.188 2.153 20 30 BEEDHM C[C@H](O/C(=N\[O-])c1ccccn1)c1cccnc1 ZINC001223978084 973369685 /nfs/dbraw/zinc/36/96/85/973369685.db2.gz PMJPGXICJKFIOG-VQZCRYCJSA-N -1 3 243.266 2.390 20 30 BEEDHM CCc1oncc1C(=O)[N-]c1ccsc1C#N ZINC001147492689 973639928 /nfs/dbraw/zinc/63/99/28/973639928.db2.gz OBRHNHOEOZMSNM-UHFFFAOYSA-N -1 3 247.279 2.422 20 30 BEEDHM Cc1ccc(C(=O)NCC(C)(C)S)c([O-])c1 ZINC001148508163 973855099 /nfs/dbraw/zinc/85/50/99/973855099.db2.gz XWMGMPGSZROJHP-UHFFFAOYSA-N -1 3 239.340 2.139 20 30 BEEDHM C#C[C@@H]1CCC[C@@H]1Oc1ccc2c([O-])coc2c1 ZINC001225341002 974419532 /nfs/dbraw/zinc/41/95/32/974419532.db2.gz VAMJTEJDJFVETG-YGRLFVJLSA-N -1 3 242.274 2.442 20 30 BEEDHM C=CC[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225660445 974632049 /nfs/dbraw/zinc/63/20/49/974632049.db2.gz DRBAGVGYMSEVFP-SSDOTTSWSA-N -1 3 224.216 2.039 20 30 BEEDHM CCC#C[C@@H](C)Oc1[n-]c(=S)ncc1C ZINC001225742799 974665017 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349139377 /nfs/dbraw/zinc/13/93/77/349139377.db2.gz DLFJHZBHSVOHFF-UHFFFAOYSA-N -1 3 224.691 2.391 20 30 BEEDHM CN(CC#N)Cc1cc([O-])ccc1Cl ZINC000599281974 349140483 /nfs/dbraw/zinc/14/04/83/349140483.db2.gz YCWCAGWHRUXDII-UHFFFAOYSA-N -1 3 210.664 2.001 20 30 BEEDHM CCN(C(=O)c1c(C)cccc1[O-])[C@@H](C)C#N ZINC000600109226 349288919 /nfs/dbraw/zinc/28/89/19/349288919.db2.gz HZGOQKXVKUOFNW-JTQLQIEISA-N -1 3 232.283 2.075 20 30 BEEDHM CN(C(=O)c1cccc([O-])c1)[C@H]1CCC[C@H]1C#N ZINC000601826169 349355978 /nfs/dbraw/zinc/35/59/78/349355978.db2.gz MNKJGEQUUXINPQ-AAEUAGOBSA-N -1 3 244.294 2.156 20 30 BEEDHM CN(C(=O)c1cccc([O-])c1)[C@@H]1CCC[C@H]1C#N ZINC000601826171 349356189 /nfs/dbraw/zinc/35/61/89/349356189.db2.gz MNKJGEQUUXINPQ-WCQYABFASA-N -1 3 244.294 2.156 20 30 BEEDHM CCc1c(-c2ccccc2)[n-]n(CCC#N)c1=O ZINC000601931691 349385459 /nfs/dbraw/zinc/38/54/59/349385459.db2.gz OQUVMPXVJCSTGM-LBPRGKRZSA-N -1 3 241.294 2.173 20 30 BEEDHM CCc1c(-c2ccccc2)[n-]n(CCC#N)c1=O ZINC000601931690 349385484 /nfs/dbraw/zinc/38/54/84/349385484.db2.gz OQUVMPXVJCSTGM-GFCCVEGCSA-N -1 3 241.294 2.173 20 30 BEEDHM Cc1[n-]c(=NOCC(C)C)ccc1C#N ZINC000292032736 180022746 /nfs/dbraw/zinc/02/27/46/180022746.db2.gz UNAHXULXPBUVDJ-UHFFFAOYSA-N -1 3 205.261 2.261 20 30 BEEDHM N#Cc1nccc(Sc2ccc([O-])cc2)n1 ZINC000309337389 350322046 /nfs/dbraw/zinc/32/20/46/350322046.db2.gz JZRLGDDZWLADCX-UHFFFAOYSA-N -1 3 229.264 2.205 20 30 BEEDHM CCCN(CC#N)C(=O)c1ccc(CC)cc1[O-] ZINC000276142723 351611164 /nfs/dbraw/zinc/61/11/64/351611164.db2.gz CRUULDWFYOUHRN-UHFFFAOYSA-N -1 3 246.310 2.330 20 30 BEEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000088475441 351801246 /nfs/dbraw/zinc/80/12/46/351801246.db2.gz CXXOLBCXHAVYNF-LLVKDONJSA-N -1 3 238.312 2.039 20 30 BEEDHM Cc1ncc(CO)c(/C=N/CCC2(C)CC2)c1[O-] ZINC000281009364 351870180 /nfs/dbraw/zinc/87/01/80/351870180.db2.gz OCGRWYGMKDWXQN-OVCLIPMQSA-N -1 3 248.326 2.197 20 30 BEEDHM C#CCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000265070962 187572400 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/nfs/dbraw/zinc/32/79/79/188327979.db2.gz QTGHAQGLHQEACK-UHFFFAOYSA-N -1 3 205.257 2.007 20 30 BEEDHM C=C(CC)CNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412400739 191280101 /nfs/dbraw/zinc/28/01/01/191280101.db2.gz DVSNDDXFYOFPHA-UHFFFAOYSA-N -1 3 247.294 2.291 20 30 BEEDHM C=CC[C@@H](CC)[N-]C(=O)C(F)(F)C(F)F ZINC000281120370 353430514 /nfs/dbraw/zinc/43/05/14/353430514.db2.gz BGCAYFVXYAXRIA-ZCFIWIBFSA-N -1 3 227.201 2.358 20 30 BEEDHM CC#CC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000283394777 353499302 /nfs/dbraw/zinc/49/93/02/353499302.db2.gz AXAZHFWVJBMCQN-JTQLQIEISA-N -1 3 229.279 2.256 20 30 BEEDHM C=CCCCN(C)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192596669 353558961 /nfs/dbraw/zinc/55/89/61/353558961.db2.gz BWMLMOJUECWNEU-LLVKDONJSA-N -1 3 235.331 2.450 20 30 BEEDHM C=CCN(C)C(=O)c1ccc([O-])c(CC)c1 ZINC000291678198 353696318 /nfs/dbraw/zinc/69/63/18/353696318.db2.gz MQTBAXUHXDSCBS-UHFFFAOYSA-N -1 3 219.284 2.213 20 30 BEEDHM C#C[C@H](NC(=O)c1ccc([O-])c(C)c1)C(C)(C)C ZINC000291679181 353696375 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/nfs/dbraw/zinc/27/30/91/535273091.db2.gz SOPKAKXFNXYHKD-UHFFFAOYSA-N -1 3 240.253 2.406 20 30 BEEDHM N#Cc1ccsc1[N-]C(=O)c1cncs1 ZINC000336576803 181161341 /nfs/dbraw/zinc/16/13/41/181161341.db2.gz LJTQFEARWLFOHM-UHFFFAOYSA-N -1 3 235.293 2.329 20 30 BEEDHM C=C[C@H]1CCCCN1C(=O)c1csc(=O)[n-]1 ZINC000335253757 355210584 /nfs/dbraw/zinc/21/05/84/355210584.db2.gz WZVUOSYJOUXBJV-QMMMGPOBSA-N -1 3 238.312 2.029 20 30 BEEDHM C=CCCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000617616818 356192027 /nfs/dbraw/zinc/19/20/27/356192027.db2.gz IVBVWKADAKQZTA-UHFFFAOYSA-N -1 3 219.284 2.315 20 30 BEEDHM Cc1ncsc1C([O-])=C(C#N)c1ccccn1 ZINC000118912337 134223694 /nfs/dbraw/zinc/22/36/94/134223694.db2.gz QGJYDTNPNZQART-VIFPVBQESA-N -1 3 243.291 2.337 20 30 BEEDHM CC(C)c1ccc(C(=O)NC[C@H](C)C#N)c([O-])c1 ZINC000610493736 357954298 /nfs/dbraw/zinc/95/42/98/357954298.db2.gz PCEOYSLAEQPBRH-SNVBAGLBSA-N -1 3 246.310 2.405 20 30 BEEDHM CC(C)(C#N)CC[S@](=O)c1cccc([O-])c1 ZINC000548138279 325434343 /nfs/dbraw/zinc/43/43/43/325434343.db2.gz WWCYNUCTCGOMSZ-INIZCTEOSA-N -1 3 237.324 2.440 20 30 BEEDHM Cc1cccc(C(=O)N[C@H](C#N)CC(C)C)c1[O-] ZINC000611250641 359253434 /nfs/dbraw/zinc/25/34/34/359253434.db2.gz LKRNQXNLJLCQCD-NSHDSACASA-N -1 3 246.310 2.369 20 30 BEEDHM C=CCCCNC(=O)c1c(C)cccc1[O-] ZINC000626710891 359522068 /nfs/dbraw/zinc/52/20/68/359522068.db2.gz UHHFGFCACDBOFU-UHFFFAOYSA-N -1 3 219.284 2.397 20 30 BEEDHM C[C@H](Nc1ccc(Cl)cc1Cl)C(=O)N[O-] ZINC000309142981 491145567 /nfs/dbraw/zinc/14/55/67/491145567.db2.gz UFLTYGSFPYRVMY-YFKPBYRVSA-N -1 3 249.097 2.299 20 30 BEEDHM C=CC[C@H]1CCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000629366025 361020421 /nfs/dbraw/zinc/02/04/21/361020421.db2.gz GEPBVPSRWYTSHR-JTQLQIEISA-N -1 3 235.283 2.376 20 30 BEEDHM C=C(C)CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000629374313 361024548 /nfs/dbraw/zinc/02/45/48/361024548.db2.gz UTOZRRVTBVVKDA-WOPDTQHZSA-N -1 3 223.316 2.138 20 30 BEEDHM N#CCCCC(=O)Nc1cccc([O-])c1F ZINC000573327148 364800612 /nfs/dbraw/zinc/80/06/12/364800612.db2.gz KKGAXZPKIGCZPE-UHFFFAOYSA-N -1 3 222.219 2.164 20 30 BEEDHM C=CCN(C)Cc1cccc(C(=O)[O-])c1 ZINC000383694513 367648664 /nfs/dbraw/zinc/64/86/64/367648664.db2.gz FXSFERFAIZTQFJ-UHFFFAOYSA-N -1 3 205.257 2.003 20 30 BEEDHM C=C(C)CCNC(=O)c1cc(C)ccc1[O-] ZINC000386939315 368036704 /nfs/dbraw/zinc/03/67/04/368036704.db2.gz VKIMJQRUOAYSJJ-UHFFFAOYSA-N -1 3 219.284 2.397 20 30 BEEDHM C=C(C)CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000154355860 326140860 /nfs/dbraw/zinc/14/08/60/326140860.db2.gz DTRVNWVAEAMHBY-UHFFFAOYSA-N -1 3 219.284 2.315 20 30 BEEDHM Cc1csc([N-]C(=O)c2ocnc2C)c1C#N ZINC000335142535 371528688 /nfs/dbraw/zinc/52/86/88/371528688.db2.gz RPGGZKFFXOFCGF-UHFFFAOYSA-N -1 3 247.279 2.477 20 30 BEEDHM C=C(CC)CNC(=O)c1ccc(C)cc1[O-] ZINC000313507297 384435268 /nfs/dbraw/zinc/43/52/68/384435268.db2.gz UJHQDUFSFHMJPL-UHFFFAOYSA-N -1 3 219.284 2.397 20 30 BEEDHM CCN(C[C@H](C)C#N)C(=O)c1ccccc1[O-] ZINC000044413262 384654897 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C=CCO[N-]C(=O)c1c(F)cccc1Cl ZINC000754777961 585290666 /nfs/dbraw/zinc/29/06/66/585290666.db2.gz BUIKAHCPPNEONC-UHFFFAOYSA-N -1 3 229.638 2.327 20 30 BEEDHM COc1cccc([O-])c1/C=N\C[C@@]1(C)CCCO1 ZINC000755031784 585293497 /nfs/dbraw/zinc/29/34/97/585293497.db2.gz OOXKEVIEEIWWHY-WJQTUHTMSA-N -1 3 249.310 2.389 20 30 BEEDHM C=C(C)[C@H](C)OC(=O)c1ccc(C#N)[n-]1 ZINC000755992069 585312087 /nfs/dbraw/zinc/31/20/87/585312087.db2.gz LNXAMVUZTHCELT-QMMMGPOBSA-N -1 3 204.229 2.008 20 30 BEEDHM CC[C@H](C)NN=Cc1ccc(OC)cc1[O-] ZINC000790190170 585331100 /nfs/dbraw/zinc/33/11/00/585331100.db2.gz TXCIAXDPZYWHPZ-VIFPVBQESA-N -1 3 222.288 2.123 20 30 BEEDHM C#CCO[N-]C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000839777024 585341313 /nfs/dbraw/zinc/34/13/13/585341313.db2.gz QDKRDSSYDMDSNQ-NWDGAFQWSA-N -1 3 249.697 2.125 20 30 BEEDHM C=CCO[N-]C(=O)Cc1cccc(C2CC2)c1 ZINC000839788403 585341875 /nfs/dbraw/zinc/34/18/75/585341875.db2.gz BVBOLZVHOYXMKN-UHFFFAOYSA-N -1 3 231.295 2.340 20 30 BEEDHM CC(=NNC1CC1)c1cc(F)ccc1[O-] ZINC000758132324 585350102 /nfs/dbraw/zinc/35/01/02/585350102.db2.gz FZWTZWLIWMKEHA-UHFFFAOYSA-N -1 3 208.236 2.007 20 30 BEEDHM C[C@@H]1C[C@H]1C=NNc1nc(=O)c2ccccc2[n-]1 ZINC000758377950 585355188 /nfs/dbraw/zinc/35/51/88/585355188.db2.gz HCNUTZHTTRRPPY-BDAKNGLRSA-N -1 3 242.282 2.389 20 30 BEEDHM CC(=NOCC(F)F)c1ccc(O)cc1[O-] ZINC000758903671 585362108 /nfs/dbraw/zinc/36/21/08/585362108.db2.gz JDGHXJQSTVSWPM-UHFFFAOYSA-N -1 3 231.198 2.104 20 30 BEEDHM COc1cccc([O-])c1C=NOCC(F)F ZINC000758902657 585362113 /nfs/dbraw/zinc/36/21/13/585362113.db2.gz GEBQDUWODQDGAD-UHFFFAOYSA-N -1 3 231.198 2.016 20 30 BEEDHM CCOc1ccc(C=NOCC(F)F)c([O-])c1 ZINC000758909248 585362566 /nfs/dbraw/zinc/36/25/66/585362566.db2.gz CAUDCCIEAQREIQ-UHFFFAOYSA-N -1 3 245.225 2.407 20 30 BEEDHM C#CC(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000759658812 585377998 /nfs/dbraw/zinc/37/79/98/585377998.db2.gz KWBPAMHGHHQDLT-UHFFFAOYSA-N -1 3 217.268 2.261 20 30 BEEDHM [O-]c1ccccc1C=Nc1nc2cc[nH]cc-2n1 ZINC000760228335 585386936 /nfs/dbraw/zinc/38/69/36/585386936.db2.gz FVCLIMQLRLUOPT-UHFFFAOYSA-N -1 3 238.250 2.414 20 30 BEEDHM COc1cccc([O-])c1/C=N/[C@@H]1CCOC[C@H]1C ZINC000760990567 585403347 /nfs/dbraw/zinc/40/33/47/585403347.db2.gz QDDLGEOFKMCIRV-GSYIJNDDSA-N -1 3 249.310 2.245 20 30 BEEDHM CC(=NNc1cnn(C)c1)c1cc(F)ccc1[O-] ZINC000761865030 585420768 /nfs/dbraw/zinc/42/07/68/585420768.db2.gz KFKSYNFEULTOEJ-UHFFFAOYSA-N -1 3 248.261 2.101 20 30 BEEDHM CC(=NNc1cnn(C)c1)c1ccc([O-])c(F)c1 ZINC000761881964 585422035 /nfs/dbraw/zinc/42/20/35/585422035.db2.gz SIKYFACZADHOGT-UHFFFAOYSA-N -1 3 248.261 2.101 20 30 BEEDHM CC#CC/N=C/c1ccc(OCC)cc1[O-] ZINC000762435310 585432310 /nfs/dbraw/zinc/43/23/10/585432310.db2.gz DGONXVMENARKMI-GXDHUFHOSA-N -1 3 217.268 2.233 20 30 BEEDHM C[C@@H](OC(=O)c1ccc(C#N)[n-]1)c1ccco1 ZINC000764791583 585473920 /nfs/dbraw/zinc/47/39/20/585473920.db2.gz ULIGGPITQMYCJB-MRVPVSSYSA-N -1 3 230.223 2.397 20 30 BEEDHM [O-]c1cc(O)ccc1C=NOCC(F)(F)F ZINC000764843950 585475711 /nfs/dbraw/zinc/47/57/11/585475711.db2.gz CUKQJMRUSSPOKZ-UHFFFAOYSA-N -1 3 235.161 2.011 20 30 BEEDHM [O-]c1ccccc1C=NOCC(F)(F)F ZINC000764843956 585475826 /nfs/dbraw/zinc/47/58/26/585475826.db2.gz CZORKYRAQGJSSF-UHFFFAOYSA-N -1 3 219.162 2.305 20 30 BEEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1cccnn1 ZINC000766283433 585500099 /nfs/dbraw/zinc/50/00/99/585500099.db2.gz KCZQJPNDIDMQKD-AUWJEWJLSA-N -1 3 247.685 2.455 20 30 BEEDHM O=c1nc(C=N[O-])ccn1CC1CCCCCC1 ZINC000766409318 585501996 /nfs/dbraw/zinc/50/19/96/585501996.db2.gz VREMEEGOVFUZSY-UHFFFAOYSA-N -1 3 249.314 2.022 20 30 BEEDHM Cc1ccc([O-])c(CN(CCC#N)CC(C)C)n1 ZINC000768154149 585533106 /nfs/dbraw/zinc/53/31/06/585533106.db2.gz RZAOBOCWCZPOIZ-UHFFFAOYSA-N -1 3 247.342 2.467 20 30 BEEDHM COc1cccc([O-])c1/C=N\[C@@H]1CCO[C@H](C)C1 ZINC000769552374 585559280 /nfs/dbraw/zinc/55/92/80/585559280.db2.gz UCNNRGVXWLRCNR-HQAZHCQUSA-N -1 3 249.310 2.387 20 30 BEEDHM CC(=NOCC(F)F)c1sccc1[O-] ZINC000769803676 585564022 /nfs/dbraw/zinc/56/40/22/585564022.db2.gz XPYVXSUVFIIJPS-UHFFFAOYSA-N -1 3 221.228 2.459 20 30 BEEDHM C=CCCOC(=O)c1c([O-])cccc1F ZINC000772594523 585618612 /nfs/dbraw/zinc/61/86/12/585618612.db2.gz VOJCPCKTGIAQET-UHFFFAOYSA-N -1 3 210.204 2.264 20 30 BEEDHM C#C[C@H](C)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000772974459 585628723 /nfs/dbraw/zinc/62/87/23/585628723.db2.gz FIVCLBPFRULZGZ-QMMMGPOBSA-N -1 3 241.212 2.055 20 30 BEEDHM Cn1[n-]ccc1=NN=C1CCC[C@H](C2CC2)C1 ZINC000774409264 585657467 /nfs/dbraw/zinc/65/74/67/585657467.db2.gz GQQGATCKCIUOSZ-NSHDSACASA-N -1 3 232.331 2.210 20 30 BEEDHM C[C@@H]1CCC(=NN=c2cc[n-]n2C)C[C@@H]1C ZINC000774413222 585657683 /nfs/dbraw/zinc/65/76/83/585657683.db2.gz XQSVQMQXHYXQMC-ZJUUUORDSA-N -1 3 220.320 2.066 20 30 BEEDHM C[C@@H]1CCC[C@@H](C=NN=c2cc[n-]n2C)C1 ZINC000774411338 585657722 /nfs/dbraw/zinc/65/77/22/585657722.db2.gz UDHYFEYYCJEWCF-GHMZBOCLSA-N -1 3 220.320 2.066 20 30 BEEDHM CCCCC(CC)=NN=c1cc[n-]n1C ZINC000774410905 585657777 /nfs/dbraw/zinc/65/77/77/585657777.db2.gz OVMYFFFKLUCOTH-UHFFFAOYSA-N -1 3 208.309 2.210 20 30 BEEDHM CCC[C@H](C)C(CC)=NN=c1cc[n-]n1C ZINC000774413713 585657783 /nfs/dbraw/zinc/65/77/83/585657783.db2.gz XSVFEGLPVOFWBT-JTQLQIEISA-N -1 3 222.336 2.456 20 30 BEEDHM C[C@@H]1CC(=NN=c2cc[n-]n2C)C[C@@H](C)C1 ZINC000774411176 585657906 /nfs/dbraw/zinc/65/79/06/585657906.db2.gz PMOUHDHESMKECT-UWVGGRQHSA-N -1 3 220.320 2.066 20 30 BEEDHM CC(=NN=c1cc[n-]n1C)c1ccc(C)s1 ZINC000774414153 585657928 /nfs/dbraw/zinc/65/79/28/585657928.db2.gz SGVAIICJFOTFQU-UHFFFAOYSA-N -1 3 234.328 2.048 20 30 BEEDHM CCCCCC(C)=NN=c1cc[n-]n1C ZINC000774410383 585657975 /nfs/dbraw/zinc/65/79/75/585657975.db2.gz KRUDFISWBLTRJI-UHFFFAOYSA-N -1 3 208.309 2.210 20 30 BEEDHM C[C@@H]1CCCC(=NN=c2cc[n-]n2C)[C@H]1C ZINC000774412906 585657980 /nfs/dbraw/zinc/65/79/80/585657980.db2.gz IGYJPOWMXCWZSF-ZJUUUORDSA-N -1 3 220.320 2.066 20 30 BEEDHM CC(C)[C@@H]1CCCC1=NN=c1cc[n-]n1C ZINC000774410671 585658012 /nfs/dbraw/zinc/65/80/12/585658012.db2.gz NILMHINVDCZLSH-JTQLQIEISA-N -1 3 220.320 2.066 20 30 BEEDHM CC[C@@H]1CCC[C@H](C=NN=c2cc[n-]n2C)C1 ZINC000774411269 585658014 /nfs/dbraw/zinc/65/80/14/585658014.db2.gz PFRBJOMILWWTRN-NEPJUHHUSA-N -1 3 234.347 2.456 20 30 BEEDHM CCOCCON=Cc1c([O-])cccc1Cl ZINC000774417234 585658070 /nfs/dbraw/zinc/65/80/70/585658070.db2.gz JYWBBJQINBMKNN-UHFFFAOYSA-N -1 3 243.690 2.433 20 30 BEEDHM [O-]c1cc(O)ccc1C=NOC1CCCC1 ZINC000774603386 585661774 /nfs/dbraw/zinc/66/17/74/585661774.db2.gz QQKPENNTJUEEGK-UHFFFAOYSA-N -1 3 221.256 2.391 20 30 BEEDHM C=CCOC(=O)c1cccc(Cl)c1[O-] ZINC000775931728 585687846 /nfs/dbraw/zinc/68/78/46/585687846.db2.gz BDDTVAUZFSCRCA-UHFFFAOYSA-N -1 3 212.632 2.388 20 30 BEEDHM C[C@@H](C#N)OC(=O)c1cccc(Cl)c1[O-] ZINC000775934067 585687975 /nfs/dbraw/zinc/68/79/75/585687975.db2.gz TTWDWRZKHXJOMB-LURJTMIESA-N -1 3 225.631 2.114 20 30 BEEDHM [O-]c1c(O)cccc1C=NOCCC(F)(F)F ZINC000777462714 585713261 /nfs/dbraw/zinc/71/32/61/585713261.db2.gz IRXIGBCBLUFWCR-UHFFFAOYSA-N -1 3 249.188 2.401 20 30 BEEDHM O=C(C#Cc1ccccc1)[N-]OC1CCCCC1 ZINC000779316985 585750806 /nfs/dbraw/zinc/75/08/06/585750806.db2.gz JZIRIEWENVTUBI-UHFFFAOYSA-N -1 3 243.306 2.419 20 30 BEEDHM [O-]c1cccc(Cl)c1C=NNc1ccncc1 ZINC000779809564 585765665 /nfs/dbraw/zinc/76/56/65/585765665.db2.gz PRASRKYENSVGAC-UHFFFAOYSA-N -1 3 247.685 2.309 20 30 BEEDHM CC[C@H](C#N)OC(=O)c1ccc([O-])cc1C ZINC000781194606 585792970 /nfs/dbraw/zinc/79/29/70/585792970.db2.gz MKVSZRMRTMAIAF-SNVBAGLBSA-N -1 3 219.240 2.160 20 30 BEEDHM C[C@H](CC(=O)N[O-])Cc1ccc(Cl)cc1 ZINC000782169394 585808633 /nfs/dbraw/zinc/80/86/33/585808633.db2.gz LKUAOYVGWPFLHQ-QMMMGPOBSA-N -1 3 227.691 2.414 20 30 BEEDHM CC(C)(C(=O)N[O-])c1cccc(Cl)c1 ZINC000782173478 585809306 /nfs/dbraw/zinc/80/93/06/585809306.db2.gz RVQIFYOLUVKUSQ-UHFFFAOYSA-N -1 3 213.664 2.123 20 30 BEEDHM CC[C@H](Oc1ccccc1Cl)C(=O)N[O-] ZINC000782173006 585809339 /nfs/dbraw/zinc/80/93/39/585809339.db2.gz GOCCICRTTYWXNB-QMMMGPOBSA-N -1 3 229.663 2.003 20 30 BEEDHM N#Cc1ccc(C(=O)O[C@H]2C=CCCC2)[n-]1 ZINC000786093599 585887147 /nfs/dbraw/zinc/88/71/47/585887147.db2.gz YSXVGZFNWXPJAJ-JTQLQIEISA-N -1 3 216.240 2.152 20 30 BEEDHM Cc1cccnc1NN=Cc1cccc(O)c1[O-] ZINC000790190347 585960610 /nfs/dbraw/zinc/96/06/10/585960610.db2.gz JJWVEBQMPMESAK-UHFFFAOYSA-N -1 3 243.266 2.247 20 30 BEEDHM [O-]c1ccccc1/C=N/CCC1(O)CCC1 ZINC000790576415 585966615 /nfs/dbraw/zinc/96/66/15/585966615.db2.gz ZKCMTVWRKGFZKX-GXDHUFHOSA-N -1 3 219.284 2.116 20 30 BEEDHM C#C[C@@H](CCC)NC(=O)c1cc(CC)ccc1[O-] ZINC000791741506 585987215 /nfs/dbraw/zinc/98/72/15/585987215.db2.gz AMHKGOWRWNKBQW-LBPRGKRZSA-N -1 3 245.322 2.486 20 30 BEEDHM CC[C@@H](C)CON=Cc1ccc([O-])cn1 ZINC000793159235 586012248 /nfs/dbraw/zinc/01/22/48/586012248.db2.gz LTHSQSMQSLUNGI-SECBINFHSA-N -1 3 208.261 2.184 20 30 BEEDHM COCCCNN=Cc1c([O-])cccc1Cl ZINC000794542778 586043089 /nfs/dbraw/zinc/04/30/89/586043089.db2.gz ZAHNIULMAVZZOF-UHFFFAOYSA-N -1 3 242.706 2.006 20 30 BEEDHM CSCCON=Cc1ccccc1[O-] ZINC000794576131 586044678 /nfs/dbraw/zinc/04/46/78/586044678.db2.gz DPMFVTRIYGBGHJ-UHFFFAOYSA-N -1 3 211.286 2.106 20 30 BEEDHM CC(=NNc1cncnc1)c1ccc([O-])c(F)c1 ZINC000794976510 586060199 /nfs/dbraw/zinc/06/01/99/586060199.db2.gz LUMJJDAHCXSJAM-UHFFFAOYSA-N -1 3 246.245 2.157 20 30 BEEDHM CC(N=Nc1cncnc1)c1ccc([O-])c(F)c1 ZINC000794976510 586060201 /nfs/dbraw/zinc/06/02/01/586060201.db2.gz LUMJJDAHCXSJAM-UHFFFAOYSA-N -1 3 246.245 2.157 20 30 BEEDHM C=CCNN=C(C)c1ccc([O-])c(F)c1 ZINC000794998633 586063426 /nfs/dbraw/zinc/06/34/26/586063426.db2.gz PVUSYPNKTBONHV-UHFFFAOYSA-N -1 3 208.236 2.031 20 30 BEEDHM CC[C@H]1CC[C@@H](C)CC1=NN=c1cc[n-]n1C ZINC000797403320 586126170 /nfs/dbraw/zinc/12/61/70/586126170.db2.gz ILNOILMQMZFRNB-MNOVXSKESA-N -1 3 234.347 2.456 20 30 BEEDHM C#C[C@@H](NC(=O)c1cc(CC)ccc1[O-])C(C)C ZINC000799045398 586155250 /nfs/dbraw/zinc/15/52/50/586155250.db2.gz CPGGVVFIIURXRO-CYBMUJFWSA-N -1 3 245.322 2.342 20 30 BEEDHM CC(=NN[C@H]1CCOC1)c1c(C)cc(C)cc1[O-] ZINC000799886881 586201102 /nfs/dbraw/zinc/20/11/02/586201102.db2.gz FSQBZEXZEIAFMV-LBPRGKRZSA-N -1 3 248.326 2.112 20 30 BEEDHM O=C(N[O-])[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000802452703 586305221 /nfs/dbraw/zinc/30/52/21/586305221.db2.gz JNERCRCETOTBPH-SSDOTTSWSA-N -1 3 237.152 2.221 20 30 BEEDHM C=C(C)CCOC(=O)c1ccc([O-])cc1O ZINC000803232908 586339322 /nfs/dbraw/zinc/33/93/22/586339322.db2.gz JNJFHHRSQXDIIR-UHFFFAOYSA-N -1 3 222.240 2.221 20 30 BEEDHM O=C([N-]O)c1cc(F)c(C(F)(F)F)cc1F ZINC000806397131 586412044 /nfs/dbraw/zinc/41/20/44/586412044.db2.gz NIFDCHCRNMZERN-UHFFFAOYSA-N -1 3 241.115 2.103 20 30 BEEDHM C[C@H]1C[C@@H]1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000859642909 589051674 /nfs/dbraw/zinc/05/16/74/589051674.db2.gz XFBSGGFRZPUWHR-GZMMTYOYSA-N -1 3 231.251 2.077 20 30 BEEDHM C=C(C)CCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184528 586556795 /nfs/dbraw/zinc/55/67/95/586556795.db2.gz PZWXTTQMBAZEIB-UHFFFAOYSA-N -1 3 231.251 2.387 20 30 BEEDHM CCc1cc(C(=O)O[C@H](C#N)CC)ccc1[O-] ZINC000811304252 586557804 /nfs/dbraw/zinc/55/78/04/586557804.db2.gz LSYDQPGWVSPEGU-NSHDSACASA-N -1 3 233.267 2.414 20 30 BEEDHM CC#CCOC(=O)c1ccc([O-])c(CC)c1 ZINC000811306517 586557812 /nfs/dbraw/zinc/55/78/12/586557812.db2.gz VPLVYAFCTJIVDO-UHFFFAOYSA-N -1 3 218.252 2.135 20 30 BEEDHM CC[C@H](C/N=C\c1c([O-])cccc1OC)OC ZINC000811625803 586562077 /nfs/dbraw/zinc/56/20/77/586562077.db2.gz WDYPWEZXCZNZFW-AHEVQNHNSA-N -1 3 237.299 2.245 20 30 BEEDHM COc1cccc([O-])c1/C=N/Cc1ccccn1 ZINC000812387986 586575461 /nfs/dbraw/zinc/57/54/61/586575461.db2.gz USCQSRVDBIEMIC-XNTDXEJSSA-N -1 3 242.278 2.415 20 30 BEEDHM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N[O-] ZINC000812459154 586577528 /nfs/dbraw/zinc/57/75/28/586577528.db2.gz VOJMMCJYJQPTDD-JTQLQIEISA-N -1 3 243.690 2.249 20 30 BEEDHM C=CCC(CC=C)C(=O)[N-]OC1CCC1 ZINC000812794426 586586001 /nfs/dbraw/zinc/58/60/01/586586001.db2.gz CKSZJSIPVMWTRY-UHFFFAOYSA-N -1 3 209.289 2.355 20 30 BEEDHM 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/nfs/dbraw/zinc/82/78/13/584827813.db2.gz SUJRREWVEBQDMF-UHFFFAOYSA-N -1 3 247.294 2.155 20 30 BEEDHM C#C[C@@H](NC(=O)N([O-])Cc1ccccc1)C(C)C ZINC000904187512 584845398 /nfs/dbraw/zinc/84/53/98/584845398.db2.gz MXFPSUVZMGUNNG-CYBMUJFWSA-N -1 3 246.310 2.245 20 30 BEEDHM CCCCN([O-])C(=O)c1cccc2c1OCO2 ZINC000904208801 584847115 /nfs/dbraw/zinc/84/71/15/584847115.db2.gz KYQDQFCZXOMEMD-UHFFFAOYSA-N -1 3 237.255 2.047 20 30 BEEDHM CCCCN([O-])C(=O)COCc1ccccc1 ZINC000904208212 584847121 /nfs/dbraw/zinc/84/71/21/584847121.db2.gz QNRGMUFKZOVEOI-UHFFFAOYSA-N -1 3 237.299 2.221 20 30 BEEDHM CCCCN([O-])C(=O)c1ccccc1OCC#N ZINC000904208995 584847229 /nfs/dbraw/zinc/84/72/29/584847229.db2.gz PGNBUSHKIORGAQ-UHFFFAOYSA-N -1 3 248.282 2.220 20 30 BEEDHM CCCCN([O-])C(=O)COc1ccccc1C ZINC000904207847 584847247 /nfs/dbraw/zinc/84/72/47/584847247.db2.gz FBVMMGDMDWNYDV-UHFFFAOYSA-N -1 3 237.299 2.392 20 30 BEEDHM CCCCN([O-])C(=O)c1ccc(F)cc1 ZINC000904207972 584847375 /nfs/dbraw/zinc/84/73/75/584847375.db2.gz 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BEEDHM COCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904188573 584848550 /nfs/dbraw/zinc/84/85/50/584848550.db2.gz FPOYYSHSJUNIKF-UHFFFAOYSA-N -1 3 243.690 2.094 20 30 BEEDHM C=C[C@H](C)ONC(=O)N([O-])Cc1ccccc1 ZINC000904196245 584850796 /nfs/dbraw/zinc/85/07/96/584850796.db2.gz RBOVJVAYDFNDGW-JTQLQIEISA-N -1 3 236.271 2.094 20 30 BEEDHM CCCCCCN([O-])C(=O)[C@]1(C)CCCO1 ZINC000904205028 584851978 /nfs/dbraw/zinc/85/19/78/584851978.db2.gz YBKLYFZJACSFLW-LBPRGKRZSA-N -1 3 229.320 2.354 20 30 BEEDHM CCCCCCN([O-])C(=O)Cc1cccnc1 ZINC000904204306 584852045 /nfs/dbraw/zinc/85/20/45/584852045.db2.gz JLJXAJJUEVBBRP-UHFFFAOYSA-N -1 3 236.315 2.422 20 30 BEEDHM CCCCCCN([O-])C(=O)c1ccc(C#N)cn1 ZINC000904205076 584852147 /nfs/dbraw/zinc/85/21/47/584852147.db2.gz ZTTPNRFWEFJUBR-UHFFFAOYSA-N -1 3 247.298 2.365 20 30 BEEDHM CCCCCCN([O-])C(=O)c1ccc(C#N)[nH]1 ZINC000904204728 584852158 /nfs/dbraw/zinc/85/21/58/584852158.db2.gz SGRDZXGZMROGST-UHFFFAOYSA-N -1 3 235.287 2.298 20 30 BEEDHM CCCCCCN([O-])C(=O)c1n[nH]cc1C ZINC000904205064 584852290 /nfs/dbraw/zinc/85/22/90/584852290.db2.gz ZDCUHNGKJSCGET-UHFFFAOYSA-N -1 3 225.292 2.130 20 30 BEEDHM CCCCN([O-])C(=O)[C@H]1CCCCS1 ZINC000904211705 584853923 /nfs/dbraw/zinc/85/39/23/584853923.db2.gz BDZZIWJXLWAQEL-SECBINFHSA-N -1 3 217.334 2.290 20 30 BEEDHM CCCCN([O-])C(=O)c1cc(C)sn1 ZINC000904212195 584854371 /nfs/dbraw/zinc/85/43/71/584854371.db2.gz ASQZUVFXJHPYME-UHFFFAOYSA-N -1 3 214.290 2.083 20 30 BEEDHM CCCCN([O-])C(=O)CC1(O)CCCCC1 ZINC000904212900 584854966 /nfs/dbraw/zinc/85/49/66/584854966.db2.gz XOPNNDHKKSYGNV-UHFFFAOYSA-N -1 3 229.320 2.090 20 30 BEEDHM CCCCN([O-])C(=O)C[C@H]1CCC(=O)[C@@H]1C ZINC000904213251 584855117 /nfs/dbraw/zinc/85/51/17/584855117.db2.gz MGVPDMMMQWHSEA-NXEZZACHSA-N -1 3 227.304 2.010 20 30 BEEDHM CCCCN([O-])C(=O)Cc1c[nH]c2ncccc12 ZINC000904212891 584855145 /nfs/dbraw/zinc/85/51/45/584855145.db2.gz XBWDNMKHRNJGQF-UHFFFAOYSA-N -1 3 247.298 2.123 20 30 BEEDHM CCCCN([O-])C(=O)c1cnn(CC(C)C)c1 ZINC000904212924 584855280 /nfs/dbraw/zinc/85/52/80/584855280.db2.gz YMKBMXLSMFUXGS-UHFFFAOYSA-N -1 3 239.319 2.171 20 30 BEEDHM CCCCN([O-])C(=O)[C@H](CC)SC ZINC000904212951 584855330 /nfs/dbraw/zinc/85/53/30/584855330.db2.gz ZLAMHDLYBGIPBH-QMMMGPOBSA-N -1 3 205.323 2.146 20 30 BEEDHM CCCCN([O-])C(=O)c1cn2ccnc2s1 ZINC000904213568 584855713 /nfs/dbraw/zinc/85/57/13/584855713.db2.gz SSOYBUPEFYBXAW-UHFFFAOYSA-N -1 3 239.300 2.027 20 30 BEEDHM CCCCN([O-])C(=O)c1cccc(CC)n1 ZINC000904214500 584855897 /nfs/dbraw/zinc/85/58/97/584855897.db2.gz BCEHRACDHLWMRS-UHFFFAOYSA-N -1 3 222.288 2.276 20 30 BEEDHM CCCCN([O-])C(=O)c1ccn2c(C)cnc2c1 ZINC000904214860 584856425 /nfs/dbraw/zinc/85/64/25/584856425.db2.gz PRCOKDFZDKOIDO-UHFFFAOYSA-N -1 3 247.298 2.274 20 30 BEEDHM CCCCN([O-])C(=O)C[C@@H](C)[C@H]1CCCO1 ZINC000904214819 584856497 /nfs/dbraw/zinc/85/64/97/584856497.db2.gz OBNGOIBYMUPGET-GHMZBOCLSA-N -1 3 229.320 2.210 20 30 BEEDHM COC(=O)[C@H](C)/N=C\c1cc(Cl)ccc1[O-] ZINC000730546211 584912687 /nfs/dbraw/zinc/91/26/87/584912687.db2.gz AIYMDGVPZNQPED-FYZKPRDOSA-N -1 3 241.674 2.026 20 30 BEEDHM C[C@@H]1CC[C@H](C)C(=NN=c2cc[n-]n2C)C1 ZINC000834970452 584915950 /nfs/dbraw/zinc/91/59/50/584915950.db2.gz WOIWTKRJIUFZLN-ZJUUUORDSA-N -1 3 220.320 2.066 20 30 BEEDHM N#Cc1cc(C=Cc2nccc(=O)[n-]2)ccc1F ZINC000770572373 584980558 /nfs/dbraw/zinc/98/05/58/584980558.db2.gz POTXPXPDTBAUMM-RQOWECAXSA-N -1 3 241.225 2.363 20 30 BEEDHM N#Cc1cc(C=Cc2nccc(=O)[n-]2)ccc1F ZINC000770572358 584980597 /nfs/dbraw/zinc/98/05/97/584980597.db2.gz POTXPXPDTBAUMM-DUXPYHPUSA-N -1 3 241.225 2.363 20 30 BEEDHM C=C(Cl)CNC1(C(=O)[O-])CCCCC1 ZINC000736094825 584989498 /nfs/dbraw/zinc/98/94/98/584989498.db2.gz YHDOGRYQNNCSAC-UHFFFAOYSA-N -1 3 217.696 2.116 20 30 BEEDHM CCCCCCCCn1cc(-c2nnn[n-]2)cn1 ZINC000736446392 585002518 /nfs/dbraw/zinc/00/25/18/585002518.db2.gz ANRBNFTWNQVBKI-UHFFFAOYSA-N -1 3 248.334 2.424 20 30 BEEDHM CCCCCCCCn1cc(-c2nn[n-]n2)cn1 ZINC000736446392 585002519 /nfs/dbraw/zinc/00/25/19/585002519.db2.gz ANRBNFTWNQVBKI-UHFFFAOYSA-N -1 3 248.334 2.424 20 30 BEEDHM CC(C)[C@H]1C[C@@H]1COC(=O)c1ccc(C#N)[n-]1 ZINC000774852674 585036712 /nfs/dbraw/zinc/03/67/12/585036712.db2.gz RXGNYQXIVSTIMZ-MWLCHTKSSA-N -1 3 232.283 2.335 20 30 BEEDHM C=CCON=C([O-])N1CC2(CC2)c2ccccc21 ZINC000838706626 585065612 /nfs/dbraw/zinc/06/56/12/585065612.db2.gz SUYSPFCZUSCXPF-UHFFFAOYSA-N -1 3 244.294 2.365 20 30 BEEDHM C=CCO[N-]C(=O)N1CC2(CC2)c2ccccc21 ZINC000838706626 585065613 /nfs/dbraw/zinc/06/56/13/585065613.db2.gz SUYSPFCZUSCXPF-UHFFFAOYSA-N -1 3 244.294 2.365 20 30 BEEDHM CC(C)(C#N)C(=O)[N-]c1cc(C(F)(F)F)no1 ZINC000748354621 585191770 /nfs/dbraw/zinc/19/17/70/585191770.db2.gz OKVQFTKVEVMJLN-UHFFFAOYSA-N -1 3 247.176 2.182 20 30 BEEDHM CC(C)CON=Cc1ccc(O)cc1[O-] ZINC000749635944 585204764 /nfs/dbraw/zinc/20/47/64/585204764.db2.gz ATLRNGQOHPWNCE-UHFFFAOYSA-N -1 3 209.245 2.104 20 30 BEEDHM CC(C)(C)CCOC(=O)c1ccc(C#N)[n-]1 ZINC000752509230 585247330 /nfs/dbraw/zinc/24/73/30/585247330.db2.gz MXWANWFGUSKLLG-UHFFFAOYSA-N -1 3 220.272 2.479 20 30 BEEDHM C#C[C@H](CC)NC(=O)c1ccc(CC)cc1[O-] ZINC000754371617 585283381 /nfs/dbraw/zinc/28/33/81/585283381.db2.gz OJNPCTUELQAPAL-LLVKDONJSA-N -1 3 231.295 2.096 20 30 BEEDHM CC[C@@H](C)NN=Cc1c([O-])cccc1OC ZINC000790183855 585285087 /nfs/dbraw/zinc/28/50/87/585285087.db2.gz OUKMQBXKEOCCQT-SECBINFHSA-N -1 3 222.288 2.123 20 30 BEEDHM [O-]c1cccc(Cl)c1CN=Nc1cnccn1 ZINC000755634635 585302518 /nfs/dbraw/zinc/30/25/18/585302518.db2.gz NRESOMBIASXUIK-UHFFFAOYSA-N -1 3 248.673 2.282 20 30 BEEDHM CCCNN=Cc1c([O-])cccc1Cl ZINC000755652332 585303485 /nfs/dbraw/zinc/30/34/85/585303485.db2.gz VLXMSUIJICMHNC-UHFFFAOYSA-N -1 3 212.680 2.379 20 30 BEEDHM C[C@H](NN=Cc1ccc([O-])cn1)c1ccccc1 ZINC000755664346 585303773 /nfs/dbraw/zinc/30/37/73/585303773.db2.gz KNQWTFGYHVPNHL-NSHDSACASA-N -1 3 241.294 2.472 20 30 BEEDHM Cc1ccnc(NN=Cc2ccc(O)cc2[O-])c1 ZINC000755901792 585309822 /nfs/dbraw/zinc/30/98/22/585309822.db2.gz HPWVOPRCPSRSNL-UHFFFAOYSA-N -1 3 243.266 2.247 20 30 BEEDHM Cc1cc(=O)[n-]c(N=NC(C)CC2CC2)n1 ZINC000756816583 585323799 /nfs/dbraw/zinc/32/37/99/585323799.db2.gz WCNTUBQTGFZLQM-UHFFFAOYSA-N -1 3 220.276 2.079 20 30 BEEDHM C=CCCOCC/N=C\c1c([O-])cccc1OC ZINC000756840602 585324149 /nfs/dbraw/zinc/32/41/49/585324149.db2.gz AQAOTTPDWOVSDJ-PTNGSMBKSA-N -1 3 249.310 2.412 20 30 BEEDHM C#CCO[N-]C(=O)Cc1cccc(C(C)C)c1 ZINC000839773961 585340791 /nfs/dbraw/zinc/34/07/91/585340791.db2.gz KGFFNPPPWUKAML-UHFFFAOYSA-N -1 3 231.295 2.034 20 30 BEEDHM CC(=NNC1CC1)c1ccc([O-])cc1F ZINC000758133577 585350357 /nfs/dbraw/zinc/35/03/57/585350357.db2.gz PZYRVOYHOVGUKZ-UHFFFAOYSA-N -1 3 208.236 2.007 20 30 BEEDHM CCCC[C@@H](CC)CC=NN1CC(=O)[N-]C1=O ZINC000760250682 585387714 /nfs/dbraw/zinc/38/77/14/585387714.db2.gz SRXILDDKULUTAF-SNVBAGLBSA-N -1 3 239.319 2.131 20 30 BEEDHM C#CCCCC(=O)Nc1ccc(OC)cc1[O-] ZINC000760524645 585393523 /nfs/dbraw/zinc/39/35/23/585393523.db2.gz KBYDZKJPFRXEPW-UHFFFAOYSA-N -1 3 233.267 2.143 20 30 BEEDHM C#CCCc1noc(-c2cc(OC)ccc2[O-])n1 ZINC000762017284 585424289 /nfs/dbraw/zinc/42/42/89/585424289.db2.gz AICGVUCOHTYEMS-UHFFFAOYSA-N -1 3 244.250 2.017 20 30 BEEDHM CCON=Cc1ccc(OCC)cc1[O-] ZINC000767463460 585520603 /nfs/dbraw/zinc/52/06/03/585520603.db2.gz MPQUYPXESSLIGX-UHFFFAOYSA-N -1 3 209.245 2.161 20 30 BEEDHM CCN(Cc1c([O-])cccc1OC)C[C@H](C)C#N ZINC000768881548 585545401 /nfs/dbraw/zinc/54/54/01/585545401.db2.gz PPNZJYXMZLCWGR-LLVKDONJSA-N -1 3 248.326 2.382 20 30 BEEDHM COc1cccc([O-])c1/C=N/[C@@H]1CCO[C@H](C)C1 ZINC000769552376 585559258 /nfs/dbraw/zinc/55/92/58/585559258.db2.gz UCNNRGVXWLRCNR-SCVIVROUSA-N -1 3 249.310 2.387 20 30 BEEDHM C#C[C@H](C)N(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000769960551 585567675 /nfs/dbraw/zinc/56/76/75/585567675.db2.gz DEJNKKPRLXNYQV-VIFPVBQESA-N -1 3 249.285 2.187 20 30 BEEDHM CC(C)CNN=Cc1ccc([O-])c(F)c1 ZINC000771567756 585596146 /nfs/dbraw/zinc/59/61/46/585596146.db2.gz SVCNERNAAYIIES-UHFFFAOYSA-N -1 3 210.252 2.111 20 30 BEEDHM CCOc1ccc(C=NN[C@@H](C)CC#N)c([O-])c1 ZINC000771887665 585603576 /nfs/dbraw/zinc/60/35/76/585603576.db2.gz GKMUJQHPVBSNKY-JTQLQIEISA-N -1 3 247.298 2.017 20 30 BEEDHM C#C[C@H]([N-]c1nc(C2CC2)ns1)[C@H]1CCCO1 ZINC000772255076 585611337 /nfs/dbraw/zinc/61/13/37/585611337.db2.gz IZXQQGLNSKGUGI-VHSXEESVSA-N -1 3 249.339 2.008 20 30 BEEDHM CCC[C@@H](/N=C\c1ccccc1[O-])C(=O)OC ZINC000773154714 585632845 /nfs/dbraw/zinc/63/28/45/585632845.db2.gz ZIUVJNKQYBVLGT-RLIURORJSA-N -1 3 235.283 2.153 20 30 BEEDHM C#C[C@@H](C)/N=C\c1cc(Cl)ccc1[O-] ZINC000773906714 585646194 /nfs/dbraw/zinc/64/61/94/585646194.db2.gz RRPDOIDGZUTBIL-CWWTZMIASA-N -1 3 207.660 2.486 20 30 BEEDHM Cn1[n-]ccc1=NN=C1CCCC(C)(C)C1 ZINC000774410014 585657446 /nfs/dbraw/zinc/65/74/46/585657446.db2.gz ICKDTZNGAXNXKF-UHFFFAOYSA-N -1 3 220.320 2.210 20 30 BEEDHM C[C@H]1C[C@H]1c1ccc(C=NN=c2cc[n-]n2C)o1 ZINC000774408815 585657590 /nfs/dbraw/zinc/65/75/90/585657590.db2.gz FCLRJMXOCSQTBT-GXSJLCMTSA-N -1 3 244.298 2.004 20 30 BEEDHM CCC(Cc1cccs1)=NN=c1cc[n-]n1C ZINC000774412350 585658023 /nfs/dbraw/zinc/65/80/23/585658023.db2.gz VYQWAMRZRMROOY-UHFFFAOYSA-N -1 3 248.355 2.324 20 30 BEEDHM CC(=NOC1CCOCC1)c1ccccc1[O-] ZINC000774429723 585658546 /nfs/dbraw/zinc/65/85/46/585658546.db2.gz DMSPCWMGNWLAFL-UHFFFAOYSA-N -1 3 235.283 2.312 20 30 BEEDHM CCOCCON=C(C)c1cc(C)ccc1[O-] ZINC000774431917 585658618 /nfs/dbraw/zinc/65/86/18/585658618.db2.gz FMWOJUBRKUYCIL-UHFFFAOYSA-N -1 3 237.299 2.478 20 30 BEEDHM C#C[C@H](C)N(C)Cc1cc(Cl)ccc1[O-] ZINC000775183493 585672927 /nfs/dbraw/zinc/67/29/27/585672927.db2.gz NDVOTPVMFOEBNG-VIFPVBQESA-N -1 3 223.703 2.499 20 30 BEEDHM N#Cc1cc([O-])cc(C(=O)OC2CCCC2)c1 ZINC000776278671 585694460 /nfs/dbraw/zinc/69/44/60/585694460.db2.gz DFFNMUXJBIMAQX-UHFFFAOYSA-N -1 3 231.251 2.363 20 30 BEEDHM N#Cc1cc([O-])cc(C(=O)OC/C=C/Cl)c1 ZINC000776273502 585694491 /nfs/dbraw/zinc/69/44/91/585694491.db2.gz GTMRHAQNBQQTIR-OWOJBTEDSA-N -1 3 237.642 2.173 20 30 BEEDHM C=C(Cl)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000776273343 585694512 /nfs/dbraw/zinc/69/45/12/585694512.db2.gz FPTQCLFAAFAACM-UHFFFAOYSA-N -1 3 237.642 2.173 20 30 BEEDHM [O-]c1ccc(C=NOCCC(F)(F)F)nc1 ZINC000777455590 585712732 /nfs/dbraw/zinc/71/27/32/585712732.db2.gz JTLZCVQDTNBPIL-UHFFFAOYSA-N -1 3 234.177 2.090 20 30 BEEDHM CC1(C)C[C@@H](NN=Cc2ccccc2[O-])CCO1 ZINC000780250286 585775043 /nfs/dbraw/zinc/77/50/43/585775043.db2.gz OHWUVPUWRBVMGW-LBPRGKRZSA-N -1 3 248.326 2.273 20 30 BEEDHM CC[C@H](C#N)OC(=O)c1ccc([O-])c(C)c1 ZINC000781206595 585793143 /nfs/dbraw/zinc/79/31/43/585793143.db2.gz VATIOEMBXORMAB-SNVBAGLBSA-N -1 3 219.240 2.160 20 30 BEEDHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[O-] ZINC000782170895 585808769 /nfs/dbraw/zinc/80/87/69/585808769.db2.gz MZHFPEZRJFCAPH-SSDOTTSWSA-N -1 3 247.216 2.389 20 30 BEEDHM CC(C)[C@H](Cc1ccccc1)C(=O)N[O-] ZINC000782170538 585808908 /nfs/dbraw/zinc/80/89/08/585808908.db2.gz AIMAWJRNORCFNC-NSHDSACASA-N -1 3 207.273 2.007 20 30 BEEDHM O=C(CC1CCC(C(F)(F)F)CC1)N[O-] ZINC000782178181 585809503 /nfs/dbraw/zinc/80/95/03/585809503.db2.gz DIJXOBHWYONXRT-UHFFFAOYSA-N -1 3 225.210 2.251 20 30 BEEDHM O=C(N[O-])c1ccc2ccc(Cl)cc2n1 ZINC000782173650 585809509 /nfs/dbraw/zinc/80/95/09/585809509.db2.gz WTIHPRUXTJKMMT-UHFFFAOYSA-N -1 3 222.631 2.007 20 30 BEEDHM COc1cccc([O-])c1/C=N/CC[C@H]1CCOC1 ZINC000783685996 585840031 /nfs/dbraw/zinc/84/00/31/585840031.db2.gz UBPPFSGZRVOUBT-ZRRZQRFHSA-N -1 3 249.310 2.246 20 30 BEEDHM N#CCCCOC(=O)c1cc2occc2[n-]1 ZINC000786030435 585885652 /nfs/dbraw/zinc/88/56/52/585885652.db2.gz QBUQQBLLMPRIEO-UHFFFAOYSA-N -1 3 218.212 2.221 20 30 BEEDHM CC[C@H](C#N)OC(=O)c1cc2occc2[n-]1 ZINC000786034493 585885891 /nfs/dbraw/zinc/88/58/91/585885891.db2.gz UXUBUYUFMRDKDL-SSDOTTSWSA-N -1 3 218.212 2.220 20 30 BEEDHM [O-]c1cc(O)ccc1C=NNC1CCCCC1 ZINC000786042957 585886386 /nfs/dbraw/zinc/88/63/86/585886386.db2.gz DMNBKALXGAGEEA-UHFFFAOYSA-N -1 3 234.299 2.354 20 30 BEEDHM N#Cc1ccc(C(=O)OC/C(Cl)=C/Cl)[n-]1 ZINC000786070243 585886630 /nfs/dbraw/zinc/88/66/30/585886630.db2.gz NLPCTRXBOYHURA-UTCJRWHESA-N -1 3 245.065 2.362 20 30 BEEDHM CCC[C@@H](C)OC(=O)c1ccc(C#N)[n-]1 ZINC000786979912 585899491 /nfs/dbraw/zinc/89/94/91/585899491.db2.gz DNAHJXCYUXYVHE-MRVPVSSYSA-N -1 3 206.245 2.232 20 30 BEEDHM C[C@H]([N-]C(=O)C(F)F)c1cccc(C#N)c1 ZINC000787400623 585908705 /nfs/dbraw/zinc/90/87/05/585908705.db2.gz KUYOAZPJGWLVRA-ZETCQYMHSA-N -1 3 224.210 2.001 20 30 BEEDHM C[C@H](CC(=O)N[O-])c1c[nH]c2ccccc21 ZINC000787866896 585917042 /nfs/dbraw/zinc/91/70/42/585917042.db2.gz HHXSFYCPRFGLIY-MRVPVSSYSA-N -1 3 218.256 2.167 20 30 BEEDHM CCC[C@@H](C)COC(=O)c1ccc(C#N)[n-]1 ZINC000791900089 585991067 /nfs/dbraw/zinc/99/10/67/585991067.db2.gz VIPHDVYPLHHFLV-SECBINFHSA-N -1 3 220.272 2.479 20 30 BEEDHM CC1(C)CC[C@H](COC(=O)c2ccc(C#N)[n-]2)O1 ZINC000792023325 585993890 /nfs/dbraw/zinc/99/38/90/585993890.db2.gz CBJMAYUSHZJSPP-SNVBAGLBSA-N -1 3 248.282 2.001 20 30 BEEDHM CC[C@H](C)CON=Cc1ccc([O-])cn1 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/nfs/dbraw/zinc/06/26/96/586062696.db2.gz HTELVJIQJPGHRQ-UHFFFAOYSA-N -1 3 240.690 2.164 20 30 BEEDHM N#CCOC(=O)c1cc([O-])c2ccccc2c1 ZINC000795683091 586091290 /nfs/dbraw/zinc/09/12/90/586091290.db2.gz XELVWAKXKIOSOR-UHFFFAOYSA-N -1 3 227.219 2.226 20 30 BEEDHM CC[C@@H]1CC[C@H](C)CC1=NN=c1cc[n-]n1C ZINC000797403322 586126213 /nfs/dbraw/zinc/12/62/13/586126213.db2.gz ILNOILMQMZFRNB-WDEREUQCSA-N -1 3 234.347 2.456 20 30 BEEDHM Cn1cnc(/C=C/C(=O)c2cccc([O-])c2)c1 ZINC000800791536 586228305 /nfs/dbraw/zinc/22/83/05/586228305.db2.gz BRWMIDFQEYOCSA-AATRIKPKSA-N -1 3 228.251 2.022 20 30 BEEDHM C=C(C)CCOC(=O)c1cc(F)cc2[n-]nnc21 ZINC000803520204 586364538 /nfs/dbraw/zinc/36/45/38/586364538.db2.gz JEXBECJVJPHUEK-UHFFFAOYSA-N -1 3 249.245 2.220 20 30 BEEDHM C=C(C)CCOC(=O)c1cc(F)cc2nn[n-]c21 ZINC000803520204 586364540 /nfs/dbraw/zinc/36/45/40/586364540.db2.gz JEXBECJVJPHUEK-UHFFFAOYSA-N -1 3 249.245 2.220 20 30 BEEDHM C=C(C)CCOC(=O)c1cc(F)cc2n[n-]nc21 ZINC000803520204 586364542 /nfs/dbraw/zinc/36/45/42/586364542.db2.gz JEXBECJVJPHUEK-UHFFFAOYSA-N -1 3 249.245 2.220 20 30 BEEDHM CC(=NN[C@H]1CCSC1)c1ccccc1[O-] ZINC000807999537 586457820 /nfs/dbraw/zinc/45/78/20/586457820.db2.gz PNAIYQWUWBUQJE-JTQLQIEISA-N -1 3 236.340 2.211 20 30 BEEDHM O=C1c2cccc([O-])c2C/C1=C/c1cnccn1 ZINC000809154761 586499989 /nfs/dbraw/zinc/49/99/89/586499989.db2.gz DPSPFSLLEHOWSS-TWGQIWQCSA-N -1 3 238.246 2.005 20 30 BEEDHM Cc1cc(C(=O)/C=C/c2cnccn2)ccc1[O-] ZINC000809154092 586499992 /nfs/dbraw/zinc/49/99/92/586499992.db2.gz MWHOKOULNKRJAW-HWKANZROSA-N -1 3 240.262 2.387 20 30 BEEDHM O=C([N-]O)c1c(F)cc(C(F)(F)F)cc1F ZINC000810044090 586532050 /nfs/dbraw/zinc/53/20/50/586532050.db2.gz MIYKPPJVCPWLGT-UHFFFAOYSA-N -1 3 241.115 2.103 20 30 BEEDHM C=C[C@@H](C)OC(=O)c1c[n-]nc1-c1ccccn1 ZINC000810701919 586544934 /nfs/dbraw/zinc/54/49/34/586544934.db2.gz VQVYTVRFKVBFBC-SECBINFHSA-N -1 3 243.266 2.203 20 30 BEEDHM CC[C@H](C/N=C/c1c([O-])cccc1OC)OC ZINC000811625804 586562190 /nfs/dbraw/zinc/56/21/90/586562190.db2.gz WDYPWEZXCZNZFW-GMROUXNLSA-N -1 3 237.299 2.245 20 30 BEEDHM C=C(C)CNN=Cc1ccc(OCC)cc1[O-] ZINC000811652192 586563383 /nfs/dbraw/zinc/56/33/83/586563383.db2.gz CWRGGNIWOJBWAX-UHFFFAOYSA-N -1 3 234.299 2.291 20 30 BEEDHM C#CCON=Cc1cc(Cl)cc(C)c1[O-] ZINC000812233008 586571126 /nfs/dbraw/zinc/57/11/26/586571126.db2.gz LRYXAUUYYCBMQI-UHFFFAOYSA-N -1 3 223.659 2.338 20 30 BEEDHM [O-]c1ccc2c(c1)OCC2=NOC1CCC1 ZINC000812235277 586571489 /nfs/dbraw/zinc/57/14/89/586571489.db2.gz BRIHCDIJBRZFJM-UHFFFAOYSA-N -1 3 219.240 2.058 20 30 BEEDHM C#Cc1ccccc1CC(=O)[N-]OC/C=C\Cl ZINC000812407156 586576492 /nfs/dbraw/zinc/57/64/92/586576492.db2.gz KPRHDBQSXJRYKC-YVMONPNESA-N -1 3 249.697 2.011 20 30 BEEDHM COc1cccc([O-])c1C=NNc1ccccn1 ZINC000812489107 586577934 /nfs/dbraw/zinc/57/79/34/586577934.db2.gz NFLBLSRAZCHAID-UHFFFAOYSA-N -1 3 243.266 2.242 20 30 BEEDHM C#CCCCCCC(=O)[N-]OCCOC(C)C ZINC000812810204 586587369 /nfs/dbraw/zinc/58/73/69/586587369.db2.gz SSULAKUWQJWGTL-UHFFFAOYSA-N -1 3 241.331 2.043 20 30 BEEDHM CCC/C=C\COC(=O)c1ccc(C#N)[n-]1 ZINC000813910371 586609335 /nfs/dbraw/zinc/60/93/35/586609335.db2.gz DAIFARDYSQKSLT-PLNGDYQASA-N -1 3 218.256 2.399 20 30 BEEDHM C#CCCCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000816621105 586745513 /nfs/dbraw/zinc/74/55/13/586745513.db2.gz ZKOPSIQDMVWNGR-UHFFFAOYSA-N -1 3 245.278 2.337 20 30 BEEDHM C#Cc1ccccc1CC(=O)[N-]OCCC1CC1 ZINC000817413241 586802086 /nfs/dbraw/zinc/80/20/86/586802086.db2.gz ROHSSJKCOYFWBS-UHFFFAOYSA-N -1 3 243.306 2.058 20 30 BEEDHM C=C[C@H](CC)CC(=O)[N-]OCCOC(C)C ZINC000820014103 587012901 /nfs/dbraw/zinc/01/29/01/587012901.db2.gz MZCWQBQYMNCEQK-LLVKDONJSA-N -1 3 229.320 2.062 20 30 BEEDHM C[C@H](CC(=O)[O-])N[C@@H](CCC#N)c1ccccc1 ZINC000820071942 587018071 /nfs/dbraw/zinc/01/80/71/587018071.db2.gz LBNLWVMXPKQRSZ-YPMHNXCESA-N -1 3 246.310 2.484 20 30 BEEDHM N#Cc1ccc(C(=O)O[C@H]2CCC23CCC3)[n-]1 ZINC000821810591 587139434 /nfs/dbraw/zinc/13/94/34/587139434.db2.gz SJFQQFPGAAMAAB-NSHDSACASA-N -1 3 230.267 2.376 20 30 BEEDHM C=C(CN[C@H]1CCN(C(=O)[O-])C1)c1ccccc1 ZINC000823480904 587225277 /nfs/dbraw/zinc/22/52/77/587225277.db2.gz RWDRSRMSDJKXCI-ZDUSSCGKSA-N -1 3 246.310 2.042 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1CCO[C@@H](C(C)C)C1 ZINC000824034218 587250093 /nfs/dbraw/zinc/25/00/93/587250093.db2.gz YYHWGMAPYKKIAU-SDDRHHMPSA-N -1 3 241.331 2.060 20 30 BEEDHM CC(C)(C)CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824079945 587254113 /nfs/dbraw/zinc/25/41/13/587254113.db2.gz SYQDKVDLSJNYBJ-UHFFFAOYSA-N -1 3 244.302 2.311 20 30 BEEDHM CC(C)(C)CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824079945 587254115 /nfs/dbraw/zinc/25/41/15/587254115.db2.gz SYQDKVDLSJNYBJ-UHFFFAOYSA-N -1 3 244.302 2.311 20 30 BEEDHM O=C(N[O-])[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000824221248 587261090 /nfs/dbraw/zinc/26/10/90/587261090.db2.gz MWMDLCJGDUQPII-CBAPKCEASA-N -1 3 243.665 2.478 20 30 BEEDHM C#CCO[N-]C(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC000825138188 587306029 /nfs/dbraw/zinc/30/60/29/587306029.db2.gz VVFGXKMGMYIATC-ZDUSSCGKSA-N -1 3 221.300 2.194 20 30 BEEDHM C=CCCO[N-]C(=O)C[C@H]1CCCC1(F)F ZINC000825565396 587325402 /nfs/dbraw/zinc/32/54/02/587325402.db2.gz BSLJFXYJEWSMFO-SECBINFHSA-N -1 3 233.258 2.436 20 30 BEEDHM C#CCN(CCC(=O)[O-])[C@H]1CCc2ccccc21 ZINC000825614419 587327576 /nfs/dbraw/zinc/32/75/76/587327576.db2.gz NQVSIVIUBZBSAP-AWEZNQCLSA-N -1 3 243.306 2.084 20 30 BEEDHM N#CCC1CN(Cc2c([O-])cccc2Cl)C1 ZINC000826990813 587367214 /nfs/dbraw/zinc/36/72/14/587367214.db2.gz NRUQTUIWPAJVNB-UHFFFAOYSA-N -1 3 236.702 2.391 20 30 BEEDHM CCCO[N-]C(=O)Nc1ccc(CC#N)cc1 ZINC000828231993 587426516 /nfs/dbraw/zinc/42/65/16/587426516.db2.gz IIUCWVIHGOGKRR-UHFFFAOYSA-N -1 3 233.271 2.216 20 30 BEEDHM CC[C@@H](C)CON=C([O-])Nc1cccc(C#N)n1 ZINC000831875875 587635166 /nfs/dbraw/zinc/63/51/66/587635166.db2.gz DHVKWCOARRPNGN-SECBINFHSA-N -1 3 248.286 2.052 20 30 BEEDHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc(C#N)n1 ZINC000831875875 587635168 /nfs/dbraw/zinc/63/51/68/587635168.db2.gz 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CC#CCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436736023 201336111 /nfs/dbraw/zinc/33/61/11/201336111.db2.gz HIFFSUUFYHJJOP-UHFFFAOYSA-N -1 3 231.295 2.269 20 30 BEEDHM C=C[C@@](C)(CC)C(=O)N=c1cc2ccccn2[n-]1 ZINC000576131453 365497728 /nfs/dbraw/zinc/49/77/28/365497728.db2.gz QKPBPNVCGDJGIW-AWEZNQCLSA-N -1 3 243.310 2.297 20 30 BEEDHM C=CCN(C)Cc1ccccc1C(=O)[O-] ZINC000383762226 367653077 /nfs/dbraw/zinc/65/30/77/367653077.db2.gz RZCGNGMWIHMHLL-UHFFFAOYSA-N -1 3 205.257 2.003 20 30 BEEDHM C=CC(C)(C)CNC(=O)c1ccc(O)cc1[O-] ZINC000384876551 367749253 /nfs/dbraw/zinc/74/92/53/367749253.db2.gz SIKQFCDLSTUXIW-UHFFFAOYSA-N -1 3 235.283 2.040 20 30 BEEDHM C=CC(C)(C)CNC(=O)c1cccc([O-])c1 ZINC000384893697 367751945 /nfs/dbraw/zinc/75/19/45/367751945.db2.gz ZCGZDSOHRCJVPR-UHFFFAOYSA-N -1 3 219.284 2.334 20 30 BEEDHM C=C(C)CN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459396442 203274466 /nfs/dbraw/zinc/27/44/66/203274466.db2.gz IRMZOSWKKFCFRJ-UHFFFAOYSA-N -1 3 233.315 2.068 20 30 BEEDHM C=CCN(CC=C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459312274 203256240 /nfs/dbraw/zinc/25/62/40/203256240.db2.gz YPUMZPVFSVNTES-UHFFFAOYSA-N -1 3 245.326 2.234 20 30 BEEDHM C=C(C)CCNC(=O)c1c(C)cccc1[O-] ZINC000627621582 371787731 /nfs/dbraw/zinc/78/77/31/371787731.db2.gz AJACJOJSXPKUBE-UHFFFAOYSA-N -1 3 219.284 2.397 20 30 BEEDHM Cc1ncc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000194679918 206105600 /nfs/dbraw/zinc/10/56/00/206105600.db2.gz IGVNZEVCPMWAFC-SECBINFHSA-N -1 3 243.291 2.337 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)c1c(F)ccc(F)c1F ZINC001644300755 1172540726 /nfs/dbraw/zinc/54/07/26/1172540726.db2.gz UDUNMTCJXIBKMU-LURJTMIESA-N -1 3 245.200 2.340 20 30 BEEDHM C=CCCC(=O)[N-]Oc1ccccc1F ZINC001644910229 1172619115 /nfs/dbraw/zinc/61/91/15/1172619115.db2.gz XONUPQMDJHSYRC-UHFFFAOYSA-N -1 3 209.220 2.202 20 30 BEEDHM CC(C)O[N-]C(=O)/C=C\c1cccc(C#N)c1 ZINC000393345523 383837163 /nfs/dbraw/zinc/83/71/63/383837163.db2.gz JUWNLXZEQOSVHW-SREVYHEPSA-N -1 3 230.267 2.028 20 30 BEEDHM CCOC(=O)C[C@H](C)C/N=C/c1ccccc1[O-] ZINC000089574603 383976746 /nfs/dbraw/zinc/97/67/46/383976746.db2.gz FMICLRXHJHDGIW-KBVGCWLLSA-N -1 3 249.310 2.400 20 30 BEEDHM CCCN(CC#N)C(=O)c1ccc(C)cc1[O-] ZINC000045092351 384374252 /nfs/dbraw/zinc/37/42/52/384374252.db2.gz JCFASXUHDKWDPK-UHFFFAOYSA-N -1 3 232.283 2.076 20 30 BEEDHM C=CCn1c(=O)[n-]nc1SCC1=CCCC1 ZINC000647118458 384404899 /nfs/dbraw/zinc/40/48/99/384404899.db2.gz YRJHIQJBOYHSMA-UHFFFAOYSA-N -1 3 237.328 2.372 20 30 BEEDHM Cc1nsc([N-]C(=O)c2ccco2)c1C#N ZINC000335879228 384383224 /nfs/dbraw/zinc/38/32/24/384383224.db2.gz DWQDTMFXBQLWEP-UHFFFAOYSA-N -1 3 233.252 2.169 20 30 BEEDHM [O-]c1c(O)ccc(/C=N/[C@@H]2CC=CCC2)c1O ZINC000172402026 384584669 /nfs/dbraw/zinc/58/46/69/384584669.db2.gz JJDOSXWZLRNCAQ-WWNSAXIVSA-N -1 3 233.267 2.331 20 30 BEEDHM C=CCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647803044 385838515 /nfs/dbraw/zinc/83/85/15/385838515.db2.gz AJZVKAWTYOEZOL-UHFFFAOYSA-N -1 3 231.255 2.173 20 30 BEEDHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1c[n-]nn1 ZINC000328972756 386665778 /nfs/dbraw/zinc/66/57/78/386665778.db2.gz VMJLAKMCUKUAQW-GARJFASQSA-N -1 3 248.330 2.468 20 30 BEEDHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cnn[n-]1 ZINC000328972756 386665783 /nfs/dbraw/zinc/66/57/83/386665783.db2.gz VMJLAKMCUKUAQW-GARJFASQSA-N -1 3 248.330 2.468 20 30 BEEDHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cn[n-]n1 ZINC000328972756 386665785 /nfs/dbraw/zinc/66/57/85/386665785.db2.gz VMJLAKMCUKUAQW-GARJFASQSA-N -1 3 248.330 2.468 20 30 BEEDHM CC#CCN(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000294719387 386686334 /nfs/dbraw/zinc/68/63/34/386686334.db2.gz YMEFTIVBNRKNDQ-UHFFFAOYSA-N -1 3 231.295 2.104 20 30 BEEDHM Cc1ccc(C(=O)NCC(C)(C)CC#N)c([O-])c1 ZINC000315437808 387372543 /nfs/dbraw/zinc/37/25/43/387372543.db2.gz FFKZIUQKTYJYBG-UHFFFAOYSA-N -1 3 246.310 2.370 20 30 BEEDHM C=C(C)[C@@H](CC(=O)[N-]OCC(C)C)OCC ZINC000270198048 387426604 /nfs/dbraw/zinc/42/66/04/387426604.db2.gz IVQHLOLMWXPJKH-LLVKDONJSA-N -1 3 229.320 2.062 20 30 BEEDHM C=C(C)C[C@@H](C)C(=O)Nc1nnc(SC)[n-]1 ZINC000274412765 387478238 /nfs/dbraw/zinc/47/82/38/387478238.db2.gz FAFUSWPZYYCMMA-SSDOTTSWSA-N -1 3 240.332 2.067 20 30 BEEDHM C=C(C)C[C@@H](C)C(=O)Nc1nc(SC)n[n-]1 ZINC000274412765 387478242 /nfs/dbraw/zinc/47/82/42/387478242.db2.gz FAFUSWPZYYCMMA-SSDOTTSWSA-N -1 3 240.332 2.067 20 30 BEEDHM C=C(C)C[C@@H](C)C(=O)Nc1n[n-]c(SC)n1 ZINC000274412765 387478248 /nfs/dbraw/zinc/47/82/48/387478248.db2.gz FAFUSWPZYYCMMA-SSDOTTSWSA-N -1 3 240.332 2.067 20 30 BEEDHM C=C(CC)CSc1ncc(C(=O)OC)[n-]1 ZINC000432664531 387808202 /nfs/dbraw/zinc/80/82/02/387808202.db2.gz AKMGNXZMCXCYKL-UHFFFAOYSA-N -1 3 226.301 2.255 20 30 BEEDHM C=CCn1cccc1C(=O)Nc1ncccc1[O-] ZINC000488551279 388187041 /nfs/dbraw/zinc/18/70/41/388187041.db2.gz SEJCUUPBVTYZHU-UHFFFAOYSA-N -1 3 243.266 2.027 20 30 BEEDHM C#CCN(CC)C(=O)c1cccc(CC)c1[O-] ZINC000490898152 388258729 /nfs/dbraw/zinc/25/87/29/388258729.db2.gz HXUAZIHTUINCRT-UHFFFAOYSA-N -1 3 231.295 2.050 20 30 BEEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cccs1 ZINC000451806601 388297470 /nfs/dbraw/zinc/29/74/70/388297470.db2.gz DXSYGTFLYCALLP-UHFFFAOYSA-N -1 3 245.369 2.239 20 30 BEEDHM C#C[C@H](C)N(C)C(=O)c1cccc(CC)c1[O-] ZINC000491693050 388311329 /nfs/dbraw/zinc/31/13/29/388311329.db2.gz CLMSASRRGYPBJX-JTQLQIEISA-N -1 3 231.295 2.048 20 30 BEEDHM C#C[C@H](C)N(C)C(=O)c1cc(CC)ccc1[O-] ZINC000491705018 388313107 /nfs/dbraw/zinc/31/31/07/388313107.db2.gz YZXMDJJPHIGFEA-JTQLQIEISA-N -1 3 231.295 2.048 20 30 BEEDHM C=CC1CCN(c2ccncc2C(=O)[O-])CC1 ZINC000572884602 388383941 /nfs/dbraw/zinc/38/39/41/388383941.db2.gz MTUUIGADXUSBSU-UHFFFAOYSA-N -1 3 232.283 2.182 20 30 BEEDHM C=CC(C)(C)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649229266 388463860 /nfs/dbraw/zinc/46/38/60/388463860.db2.gz UNDSAEDJPSKIOM-UHFFFAOYSA-N -1 3 235.331 2.414 20 30 BEEDHM C=CCOCCNCc1cccc([O-])c1Cl ZINC000328446032 388415289 /nfs/dbraw/zinc/41/52/89/388415289.db2.gz IUWUWGKLOVFXBF-UHFFFAOYSA-N -1 3 241.718 2.338 20 30 BEEDHM Cc1cc(C(=O)N[C@@]2(C#N)CC2(C)C)ccc1[O-] ZINC000336101610 134083234 /nfs/dbraw/zinc/08/32/34/134083234.db2.gz FFUAEEQCDWOQMI-CQSZACIVSA-N -1 3 244.294 2.123 20 30 BEEDHM Cc1cc(C(=O)N[C@]2(C#N)CC2(C)C)ccc1[O-] ZINC000336101609 134083277 /nfs/dbraw/zinc/08/32/77/134083277.db2.gz FFUAEEQCDWOQMI-AWEZNQCLSA-N -1 3 244.294 2.123 20 30 BEEDHM CC[C@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1 ZINC000263798596 135127784 /nfs/dbraw/zinc/12/77/84/135127784.db2.gz KCYFYZSFUKRDRD-SNVBAGLBSA-N -1 3 238.237 2.197 20 30 BEEDHM CC1(C#N)CN(Cc2c([O-])cccc2Cl)C1 ZINC000297299364 135195436 /nfs/dbraw/zinc/19/54/36/135195436.db2.gz BCUOSNAYXDPJHE-UHFFFAOYSA-N -1 3 236.702 2.391 20 30 BEEDHM C=CCn1c(SCC=C(C)C)n[n-]c1=O ZINC000340696435 135226528 /nfs/dbraw/zinc/22/65/28/135226528.db2.gz PQDHFUKNDBWKBM-UHFFFAOYSA-N -1 3 225.317 2.228 20 30 BEEDHM N#C[C@H]1CC[C@@H](NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263057260 135329938 /nfs/dbraw/zinc/32/99/38/135329938.db2.gz LYFDRCJGKBWVDS-WCQYABFASA-N -1 3 244.294 2.167 20 30 BEEDHM C=CC[C@H](CC)NC(=O)c1cccc(OC)c1[O-] ZINC000281383169 135370151 /nfs/dbraw/zinc/37/01/51/135370151.db2.gz NVJDFGSWYWYUNT-JTQLQIEISA-N -1 3 249.310 2.485 20 30 BEEDHM Cc1ccc([O-])c(C(=O)N(C)CC(C)(C)C#N)c1 ZINC000334416057 135395968 /nfs/dbraw/zinc/39/59/68/135395968.db2.gz OAZYMGREILHTDI-UHFFFAOYSA-N -1 3 246.310 2.322 20 30 BEEDHM C#C[C@H](NCc1nc(C)ccc1[O-])C(C)(C)C ZINC000491793778 398071153 /nfs/dbraw/zinc/07/11/53/398071153.db2.gz NFWZUMAXVXXXPB-ZDUSSCGKSA-N -1 3 232.327 2.233 20 30 BEEDHM CCc1cc(C(=O)N(C)[C@H](C)CC#N)ccc1[O-] ZINC000291578153 398095770 /nfs/dbraw/zinc/09/57/70/398095770.db2.gz ULRJAOCQPROMNK-SNVBAGLBSA-N -1 3 246.310 2.329 20 30 BEEDHM C=C[C@@H](C(=O)[O-])N(C)Cc1ccc(Cl)cc1 ZINC000301048733 487572179 /nfs/dbraw/zinc/57/21/79/487572179.db2.gz QVNBBQSXTRHGFA-NSHDSACASA-N -1 3 239.702 2.411 20 30 BEEDHM CCCCN([O-])C(=O)[C@@H]1C[C@H]1OC(C)(C)C ZINC001651229604 1172933263 /nfs/dbraw/zinc/93/32/63/1172933263.db2.gz SIUGASQSMQHAMO-NXEZZACHSA-N -1 3 229.320 2.208 20 30 BEEDHM C=CCCN(C)C(=O)c1ccccc1[O-] ZINC000276219088 166254297 /nfs/dbraw/zinc/25/42/97/166254297.db2.gz CXYNAOISKWSYTF-UHFFFAOYSA-N -1 3 205.257 2.040 20 30 BEEDHM C=CCN(C(=O)c1cc(OC)ccc1[O-])C1CC1 ZINC000165377579 166313280 /nfs/dbraw/zinc/31/32/80/166313280.db2.gz BZTVUQVJTPYMIF-UHFFFAOYSA-N -1 3 247.294 2.191 20 30 BEEDHM CC[C@H](C)[C@@H](C(=O)N[O-])c1ccccc1 ZINC000019479868 171358448 /nfs/dbraw/zinc/35/84/48/171358448.db2.gz GOLHHROINKIFFR-GXSJLCMTSA-N -1 3 207.273 2.322 20 30 BEEDHM C=CCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612657 487670779 /nfs/dbraw/zinc/67/07/79/487670779.db2.gz ZHGZMUVDRVFCRJ-CYBMUJFWSA-N -1 3 231.295 2.247 20 30 BEEDHM C=C(C)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000087612668 487670938 /nfs/dbraw/zinc/67/09/38/487670938.db2.gz HHXMUJKWZRQJPW-ZDUSSCGKSA-N -1 3 231.295 2.247 20 30 BEEDHM Cc1ccc(C(=O)NCC2(CC#N)CC2)c([O-])c1 ZINC000404091434 229367799 /nfs/dbraw/zinc/36/77/99/229367799.db2.gz ABFQWTYCMWGEJA-UHFFFAOYSA-N -1 3 244.294 2.124 20 30 BEEDHM CCCCCCN([O-])C(=O)[C@H](OC)C1CC1 ZINC000904204561 584852423 /nfs/dbraw/zinc/85/24/23/584852423.db2.gz OOXJCDKTROHNQI-LLVKDONJSA-N -1 3 229.320 2.210 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)CCCCCC#N ZINC000846552689 588276150 /nfs/dbraw/zinc/27/61/50/588276150.db2.gz NJVIHRFIGPGNNV-SNVBAGLBSA-N -1 3 210.277 2.083 20 30 BEEDHM CC1(C)CC[C@H](C(=O)N[O-])c2ccccc21 ZINC000671996100 487925454 /nfs/dbraw/zinc/92/54/54/487925454.db2.gz PXGDTBAXMKIYNX-JTQLQIEISA-N -1 3 219.284 2.347 20 30 BEEDHM C[C@@H](Cc1ccc(Cl)cc1)C(=O)N[O-] ZINC000671996688 487930003 /nfs/dbraw/zinc/93/00/03/487930003.db2.gz UYUPEMPHMQLPJS-ZETCQYMHSA-N -1 3 213.664 2.024 20 30 BEEDHM O=C(CCc1cccc(Cl)c1Cl)N[O-] ZINC000671997377 487934113 /nfs/dbraw/zinc/93/41/13/487934113.db2.gz BZJIPCGHFUUHIU-UHFFFAOYSA-N -1 3 234.082 2.431 20 30 BEEDHM CCC[C@@H](C#N)NC(=O)c1ccc([O-])c(CC)c1 ZINC000562324574 323016138 /nfs/dbraw/zinc/01/61/38/323016138.db2.gz YUNJBPGHBNIUHE-LBPRGKRZSA-N -1 3 246.310 2.377 20 30 BEEDHM N#CC(=C([O-])c1cncc(F)c1)c1ccccn1 ZINC000151551693 323018682 /nfs/dbraw/zinc/01/86/82/323018682.db2.gz DWFACDVDIQJJCQ-LLVKDONJSA-N -1 3 241.225 2.106 20 30 BEEDHM N#CC(=C([O-])c1cncc(F)c1)c1ccccn1 ZINC000151551758 323018760 /nfs/dbraw/zinc/01/87/60/323018760.db2.gz DWFACDVDIQJJCQ-NSHDSACASA-N -1 3 241.225 2.106 20 30 BEEDHM CC[C@](C)(C#N)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000536686637 323201366 /nfs/dbraw/zinc/20/13/66/323201366.db2.gz KTDKLDXLWVSACP-CQSZACIVSA-N -1 3 246.310 2.431 20 30 BEEDHM Cc1ccc2c(CC(=O)N[O-])coc2c1C ZINC000671997786 487958061 /nfs/dbraw/zinc/95/80/61/487958061.db2.gz NCWQYMWFAXDEJX-UHFFFAOYSA-N -1 3 219.240 2.098 20 30 BEEDHM C=CCn1c(S[C@@H](C)C#CCC)n[n-]c1=O ZINC000677646569 488088054 /nfs/dbraw/zinc/08/80/54/488088054.db2.gz VDDLDFAUJHDMGT-VIFPVBQESA-N -1 3 237.328 2.064 20 30 BEEDHM O=C(N[O-])[C@H](c1ccncc1)C1CCCCC1 ZINC000671996412 488234368 /nfs/dbraw/zinc/23/43/68/488234368.db2.gz PQWCJVVFDPOIOH-LBPRGKRZSA-N -1 3 234.299 2.251 20 30 BEEDHM Cc1ccc(C(C)(C)CC(=O)N[O-])cc1 ZINC000671998070 490382132 /nfs/dbraw/zinc/38/21/32/490382132.db2.gz XSJHSBHOGKKQQF-UHFFFAOYSA-N -1 3 207.273 2.168 20 30 BEEDHM C=CC[C@@H](C=C)Oc1cc(=O)[n-]c(C)n1 ZINC001226513126 974936720 /nfs/dbraw/zinc/93/67/20/974936720.db2.gz YPZAEDRSRIJULP-SECBINFHSA-N -1 3 206.245 2.000 20 30 BEEDHM C=C(CC)CNCc1cccc(C(=O)[O-])c1 ZINC000263572271 534416682 /nfs/dbraw/zinc/41/66/82/534416682.db2.gz KSQXQFOHXIBWEW-UHFFFAOYSA-N -1 3 219.284 2.441 20 30 BEEDHM C=C[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000227039432 534500633 /nfs/dbraw/zinc/50/06/33/534500633.db2.gz KKOFLCWSOCCLFS-SECBINFHSA-N -1 3 205.257 2.005 20 30 BEEDHM C=CCC(F)(F)C(=O)[N-][C@](C)(C#N)C(C)C ZINC000293454453 534576952 /nfs/dbraw/zinc/57/69/52/534576952.db2.gz PSCZLRCLTUDPJM-SNVBAGLBSA-N -1 3 230.258 2.252 20 30 BEEDHM O=C(CCn1ccc2cc(Cl)ccc21)N[O-] ZINC000782172789 582869030 /nfs/dbraw/zinc/86/90/30/582869030.db2.gz ALTAHXMGPFTSBN-UHFFFAOYSA-N -1 3 238.674 2.190 20 30 BEEDHM C=CCCO[N-]C(=O)CCc1ccc(F)cc1 ZINC000856029223 583112821 /nfs/dbraw/zinc/11/28/21/583112821.db2.gz DTCOENSEIOGPMD-UHFFFAOYSA-N -1 3 237.274 2.382 20 30 BEEDHM Cc1ncc(CO)c(/C=N\C2CC(C)(C)C2)c1[O-] ZINC000852998629 588715061 /nfs/dbraw/zinc/71/50/61/588715061.db2.gz QFSVPVYZOOQWLB-APSNUPSMSA-N -1 3 248.326 2.195 20 30 BEEDHM [O-]c1ccc(Cl)cc1/C=N\CCOCCF ZINC000852998074 588715129 /nfs/dbraw/zinc/71/51/29/588715129.db2.gz HIACSQGKHMIPJQ-ZSOIEALJSA-N -1 3 245.681 2.451 20 30 BEEDHM Cc1ncc(CO)c(/C=N\CC2=CCCC2)c1[O-] ZINC000852998511 588715149 /nfs/dbraw/zinc/71/51/49/588715149.db2.gz NKBQTCDEHLOQLU-NVNXTCNLSA-N -1 3 246.310 2.117 20 30 BEEDHM C=CCO[N-]C(=O)CC1(C#N)CCCCC1 ZINC000854852205 588813012 /nfs/dbraw/zinc/81/30/12/588813012.db2.gz JUTMGQBNOSTGDA-UHFFFAOYSA-N -1 3 222.288 2.084 20 30 BEEDHM C=CCO[N-]C(=O)C(C)(C)CC(F)(F)F ZINC000854852773 588813479 /nfs/dbraw/zinc/81/34/79/588813479.db2.gz SCLKPXMOLALMRB-UHFFFAOYSA-N -1 3 225.210 2.199 20 30 BEEDHM C=CC[C@H]1CCN1C(=O)c1cc([O-])cs1 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2.376 20 30 BEEDHM CCCCN([O-])C(=O)CCCOC(C)C ZINC000904211850 584854276 /nfs/dbraw/zinc/85/42/76/584854276.db2.gz FJOBAVDAOXJWHZ-UHFFFAOYSA-N -1 3 217.309 2.210 20 30 BEEDHM CCCCN([O-])C(=O)C(C)(C)CCOC ZINC000904212140 584854450 /nfs/dbraw/zinc/85/44/50/584854450.db2.gz KXXQTJNYIDSRQS-UHFFFAOYSA-N -1 3 217.309 2.067 20 30 BEEDHM CCCCN([O-])C(=O)c1c[nH]nc1-c1ccoc1 ZINC000904212349 584854514 /nfs/dbraw/zinc/85/45/14/584854514.db2.gz DLCZEWAZBTWRMT-UHFFFAOYSA-N -1 3 249.270 2.301 20 30 BEEDHM CCCCN([O-])C(=O)c1cnn2ccc(C)cc12 ZINC000904212311 584854743 /nfs/dbraw/zinc/85/47/43/584854743.db2.gz OAWUSFYMRNIDGR-UHFFFAOYSA-N -1 3 247.298 2.274 20 30 BEEDHM CCCCN([O-])C(=O)c1snnc1C1CC1 ZINC000904212455 584854813 /nfs/dbraw/zinc/85/48/13/584854813.db2.gz DTCZTBWWMZRWTQ-UHFFFAOYSA-N -1 3 241.316 2.047 20 30 BEEDHM CCCCN([O-])C(=O)c1cc2occc2[nH]1 ZINC000904212308 584854856 /nfs/dbraw/zinc/85/48/56/584854856.db2.gz NZHXZZXJVBEWBE-UHFFFAOYSA-N -1 3 222.244 2.392 20 30 BEEDHM C#Cc1ccccc1CC(=O)N([O-])CCCC ZINC000904213303 584855438 /nfs/dbraw/zinc/85/54/38/584855438.db2.gz NYMQHFADQRKDCF-UHFFFAOYSA-N -1 3 231.295 2.228 20 30 BEEDHM CCCCN([O-])C(=O)c1cc(C(C)C)on1 ZINC000904213576 584855514 /nfs/dbraw/zinc/85/55/14/584855514.db2.gz SUICPNRKVIOYOB-UHFFFAOYSA-N -1 3 226.276 2.430 20 30 BEEDHM CCCCN([O-])C(=O)[C@H](C)Cc1ccco1 ZINC000904214498 584855672 /nfs/dbraw/zinc/85/56/72/584855672.db2.gz BBCMDDXFWAJRFY-SNVBAGLBSA-N -1 3 225.288 2.476 20 30 BEEDHM CCCCN([O-])C(=O)/C=C\c1ccc[nH]1 ZINC000904213628 584855928 /nfs/dbraw/zinc/85/59/28/584855928.db2.gz VHQCQHLMQDWZFR-SREVYHEPSA-N -1 3 208.261 2.046 20 30 BEEDHM CCCCN([O-])C(=O)CCc1cncc(C)c1 ZINC000904213754 584855958 /nfs/dbraw/zinc/85/59/58/584855958.db2.gz ZRAYFZVWRORARE-UHFFFAOYSA-N -1 3 236.315 2.341 20 30 BEEDHM CCCCN([O-])C(=O)c1nccc2occc21 ZINC000904214487 584855973 /nfs/dbraw/zinc/85/59/73/584855973.db2.gz AOIWXJIPMRVTSM-UHFFFAOYSA-N -1 3 234.255 2.459 20 30 BEEDHM CCCCN([O-])C(=O)c1cn(C(C)C)nc1C ZINC000904214756 584856309 /nfs/dbraw/zinc/85/63/09/584856309.db2.gz MCGQBMISNMXRIY-UHFFFAOYSA-N -1 3 239.319 2.404 20 30 BEEDHM CCCCN([O-])C(=O)C[C@@H](C)[C@@H]1CCCO1 ZINC000904214820 584856345 /nfs/dbraw/zinc/85/63/45/584856345.db2.gz OBNGOIBYMUPGET-MNOVXSKESA-N -1 3 229.320 2.210 20 30 BEEDHM CCCCN([O-])C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000904214916 584856436 /nfs/dbraw/zinc/85/64/36/584856436.db2.gz RSUFXGHTLIOQRB-WDEREUQCSA-N -1 3 211.305 2.441 20 30 BEEDHM CCCCN([O-])C(=O)[C@]1(C#N)CC12CCCC2 ZINC000904214807 584856519 /nfs/dbraw/zinc/85/65/19/584856519.db2.gz NSPXFKHALILLFD-CYBMUJFWSA-N -1 3 236.315 2.478 20 30 BEEDHM CCCCN([O-])C(=O)c1ccc2c(c1)CCOC2 ZINC000904214896 584856586 /nfs/dbraw/zinc/85/65/86/584856586.db2.gz QZYDBVBPLGRRME-UHFFFAOYSA-N -1 3 249.310 2.391 20 30 BEEDHM CCCCN([O-])C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000904214808 584856591 /nfs/dbraw/zinc/85/65/91/584856591.db2.gz NSPXFKHALILLFD-ZDUSSCGKSA-N -1 3 236.315 2.478 20 30 BEEDHM C[C@H](COC(=O)c1ccc(C#N)[n-]1)CC(F)F ZINC000842439645 584896597 /nfs/dbraw/zinc/89/65/97/584896597.db2.gz RMEBDHODLYZLOR-ZETCQYMHSA-N -1 3 242.225 2.334 20 30 BEEDHM CC(=NN[C@@H]1CCOC1(C)C)c1ccccc1[O-] ZINC000835014602 584918556 /nfs/dbraw/zinc/91/85/56/584918556.db2.gz JMHQAPRNMKERDR-CYBMUJFWSA-N -1 3 248.326 2.273 20 30 BEEDHM CC(=NN[C@H]1CCOC1(C)C)c1ccccc1[O-] ZINC000835014603 584918658 /nfs/dbraw/zinc/91/86/58/584918658.db2.gz JMHQAPRNMKERDR-ZDUSSCGKSA-N -1 3 248.326 2.273 20 30 BEEDHM CC(=NOC[C@@H]1CCOC1)c1ccc([O-])cc1 ZINC000788030070 584919986 /nfs/dbraw/zinc/91/99/86/584919986.db2.gz KFYIHWNHAUVSEQ-LLVKDONJSA-N -1 3 235.283 2.169 20 30 BEEDHM Cc1ccc([O-])c(C=NOC[C@@H]2CCOC2)c1 ZINC000788038288 584932855 /nfs/dbraw/zinc/93/28/55/584932855.db2.gz FODQKZIFOIVGCC-LLVKDONJSA-N -1 3 235.283 2.088 20 30 BEEDHM Cc1ccc([O-])c(C=NOC[C@H]2CCOC2)c1 ZINC000788038289 584932878 /nfs/dbraw/zinc/93/28/78/584932878.db2.gz FODQKZIFOIVGCC-NSHDSACASA-N -1 3 235.283 2.088 20 30 BEEDHM CCC(CC)NN=Cc1ccc(O)cc1[O-] ZINC000734366465 584961070 /nfs/dbraw/zinc/96/10/70/584961070.db2.gz SRGPSOOHXPDLSN-UHFFFAOYSA-N -1 3 222.288 2.210 20 30 BEEDHM CC#CCN(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000736117827 584990041 /nfs/dbraw/zinc/99/00/41/584990041.db2.gz NHUGBXWXBLLIHR-CYBMUJFWSA-N -1 3 245.322 2.233 20 30 BEEDHM C=CCON=C([O-])N1CCc2c1cccc2C ZINC000838704063 585065110 /nfs/dbraw/zinc/06/51/10/585065110.db2.gz QNVMKYMBEBIUAB-UHFFFAOYSA-N -1 3 232.283 2.185 20 30 BEEDHM C=CCO[N-]C(=O)N1CCc2c1cccc2C ZINC000838704063 585065111 /nfs/dbraw/zinc/06/51/11/585065111.db2.gz QNVMKYMBEBIUAB-UHFFFAOYSA-N -1 3 232.283 2.185 20 30 BEEDHM C=CCON=C([O-])N1CCc2cc(F)ccc21 ZINC000838710707 585066584 /nfs/dbraw/zinc/06/65/84/585066584.db2.gz KDPYTEGMNHBQRW-UHFFFAOYSA-N -1 3 236.246 2.015 20 30 BEEDHM C=CCO[N-]C(=O)N1CCc2cc(F)ccc21 ZINC000838710707 585066585 /nfs/dbraw/zinc/06/65/85/585066585.db2.gz KDPYTEGMNHBQRW-UHFFFAOYSA-N -1 3 236.246 2.015 20 30 BEEDHM CC(=NNCC(F)F)c1cc(F)ccc1[O-] ZINC000740618370 585104671 /nfs/dbraw/zinc/10/46/71/585104671.db2.gz WHXLZNYCPWVPOT-UHFFFAOYSA-N -1 3 232.205 2.110 20 30 BEEDHM O=C(N[O-])c1csc(C2CCCCC2)n1 ZINC000839498218 585105816 /nfs/dbraw/zinc/10/58/16/585105816.db2.gz OLUUDXZNLQGAJF-UHFFFAOYSA-N -1 3 226.301 2.310 20 30 BEEDHM Cc1ccc([C@@H](O)C/N=C/c2ccccc2[O-])o1 ZINC000741165781 585111009 /nfs/dbraw/zinc/11/10/09/585111009.db2.gz RZTRLXJLYVDZHT-LIOBOASVSA-N -1 3 245.278 2.446 20 30 BEEDHM COc1cccc([O-])c1/C=N\Cc1ccn(C)c1 ZINC000748284694 585190143 /nfs/dbraw/zinc/19/01/43/585190143.db2.gz FLLQYIXDKVZOEH-DHDCSXOGSA-N -1 3 244.294 2.358 20 30 BEEDHM COc1ccc(C=NOCC(C)C)c([O-])c1 ZINC000749631798 585204668 /nfs/dbraw/zinc/20/46/68/585204668.db2.gz QVLONWRZSTYELZ-UHFFFAOYSA-N -1 3 223.272 2.407 20 30 BEEDHM CC/C=C\CCOC(=O)c1ccc(C#N)[n-]1 ZINC000752477988 585246603 /nfs/dbraw/zinc/24/66/03/585246603.db2.gz FZGPTSQKAWPUDP-ARJAWSKDSA-N -1 3 218.256 2.399 20 30 BEEDHM CC[C@H](C#N)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000753416535 585258453 /nfs/dbraw/zinc/25/84/53/585258453.db2.gz SBOPLEWFTBQUGT-MRVPVSSYSA-N -1 3 245.238 2.129 20 30 BEEDHM CC[C@H](C#N)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000753416535 585258454 /nfs/dbraw/zinc/25/84/54/585258454.db2.gz SBOPLEWFTBQUGT-MRVPVSSYSA-N -1 3 245.238 2.129 20 30 BEEDHM COC(=O)C[C@H](/N=C\c1ccccc1[O-])C1CC1 ZINC000753562069 585261797 /nfs/dbraw/zinc/26/17/97/585261797.db2.gz BBEJIZCSCAXSQA-ZENNRRHLSA-N -1 3 247.294 2.153 20 30 BEEDHM CCC(CC)NN=C1C(=O)[N-]c2c1cccc2F ZINC000753960746 585273524 /nfs/dbraw/zinc/27/35/24/585273524.db2.gz VBZRMFSSFLVEBG-UHFFFAOYSA-N -1 3 249.289 2.260 20 30 BEEDHM COc1cccc([O-])c1/C=N\CCOC(C)C ZINC000753993129 585274344 /nfs/dbraw/zinc/27/43/44/585274344.db2.gz DNRSECDFWKVPKH-ZROIWOOFSA-N -1 3 237.299 2.245 20 30 BEEDHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N[O-] ZINC000754179504 585280051 /nfs/dbraw/zinc/28/00/51/585280051.db2.gz XPKZMVUYGUUTAO-NXEZZACHSA-N -1 3 219.284 2.481 20 30 BEEDHM CCCCNN=Cc1cc(F)ccc1[O-] ZINC000755648027 585303359 /nfs/dbraw/zinc/30/33/59/585303359.db2.gz CMRLVLGNCAWMEW-UHFFFAOYSA-N -1 3 210.252 2.255 20 30 BEEDHM [O-]c1cccc(Cl)c1CN=Nc1cccnn1 ZINC000755733651 585305255 /nfs/dbraw/zinc/30/52/55/585305255.db2.gz QRMNNILFYBXUQJ-UHFFFAOYSA-N -1 3 248.673 2.282 20 30 BEEDHM CCO[C@@H]1COCC[C@@H]1/N=C\c1ccccc1[O-] ZINC000758816435 585360181 /nfs/dbraw/zinc/36/01/81/585360181.db2.gz REOJLDYUYLGSDE-NHSKIZIUSA-N -1 3 249.310 2.005 20 30 BEEDHM COc1ccc(C=NOCC(F)F)c([O-])c1 ZINC000758900132 585361868 /nfs/dbraw/zinc/36/18/68/585361868.db2.gz PQSOUIPORKEUEM-UHFFFAOYSA-N -1 3 231.198 2.016 20 30 BEEDHM CCOC(=O)C[C@@H](C)/N=C\c1ccccc1[O-] ZINC000760212126 585386818 /nfs/dbraw/zinc/38/68/18/585386818.db2.gz IFPURLVLAPHRHX-AHEVQNHNSA-N -1 3 235.283 2.153 20 30 BEEDHM N#CC(=C([O-])C=C1CCCC1)c1ccncn1 ZINC000760338038 585390612 /nfs/dbraw/zinc/39/06/12/585390612.db2.gz CAYNUQPYKBTWTL-NSHDSACASA-N -1 3 227.267 2.153 20 30 BEEDHM CC[C@H](CC#N)NCc1c([O-])cccc1OC ZINC000762795414 585437279 /nfs/dbraw/zinc/43/72/79/585437279.db2.gz WFWWNDZKBYJNEI-SNVBAGLBSA-N -1 3 234.299 2.183 20 30 BEEDHM [O-]c1c(O)cccc1C=NOCC(F)(F)F ZINC000764843911 585475678 /nfs/dbraw/zinc/47/56/78/585475678.db2.gz BIZASHGHHKZCEY-UHFFFAOYSA-N -1 3 235.161 2.011 20 30 BEEDHM C#CCCOC(=O)c1cccc(Cl)c1[O-] ZINC000765504235 585488513 /nfs/dbraw/zinc/48/85/13/585488513.db2.gz VDQLMKQNHLEENP-UHFFFAOYSA-N -1 3 224.643 2.226 20 30 BEEDHM COc1ccc(C/N=C/c2ccccc2[O-])nc1 ZINC000766284005 585500433 /nfs/dbraw/zinc/50/04/33/585500433.db2.gz QSVDUSKCUFQCER-OVCLIPMQSA-N -1 3 242.278 2.415 20 30 BEEDHM CCOc1ccc(CN(C)C[C@H](C)C#N)c([O-])c1 ZINC000768876630 585545480 /nfs/dbraw/zinc/54/54/80/585545480.db2.gz FHLVIHXMXGHIMG-LLVKDONJSA-N -1 3 248.326 2.382 20 30 BEEDHM CCOC(=O)C1(C/N=C\c2ccccc2[O-])CC1 ZINC000769718141 585562553 /nfs/dbraw/zinc/56/25/53/585562553.db2.gz HRAIWOXASIUKHF-DHDCSXOGSA-N -1 3 247.294 2.154 20 30 BEEDHM Cc1ccc(F)c2c1C(=NNCC(C)C)C(=O)[N-]2 ZINC000771567128 585596526 /nfs/dbraw/zinc/59/65/26/585596526.db2.gz NTUGACJDGADDOU-UHFFFAOYSA-N -1 3 249.289 2.036 20 30 BEEDHM COc1ccc(C(C)=NN[C@H](C)CC#N)c([O-])c1 ZINC000771882390 585603264 /nfs/dbraw/zinc/60/32/64/585603264.db2.gz ZDDWSNSGGUJLNN-SECBINFHSA-N -1 3 247.298 2.017 20 30 BEEDHM C=CCN(C(=O)c1cc([O-])cs1)C1CC1 ZINC000772938290 585627856 /nfs/dbraw/zinc/62/78/56/585627856.db2.gz UJSDFCCZRZGTOK-UHFFFAOYSA-N -1 3 223.297 2.244 20 30 BEEDHM Cc1cc(C(=O)/C=C\c2ccn(C)n2)ccc1[O-] ZINC000773154672 585632874 /nfs/dbraw/zinc/63/28/74/585632874.db2.gz VWZKKQKSJSZORJ-XQRVVYSFSA-N -1 3 242.278 2.330 20 30 BEEDHM C=C(CC)COC(=O)c1ccc([O-])cc1O ZINC000773435051 585636831 /nfs/dbraw/zinc/63/68/31/585636831.db2.gz ADYZPEMRQLYPBE-UHFFFAOYSA-N -1 3 222.240 2.221 20 30 BEEDHM Cn1[n-]ccc1=NN=C1CCC(C)(C)CC1 ZINC000774411149 585657908 /nfs/dbraw/zinc/65/79/08/585657908.db2.gz PGATUJPRRPWRAE-UHFFFAOYSA-N -1 3 220.320 2.210 20 30 BEEDHM C[C@@H]1CCC(=NN=c2cc[n-]n2C)C[C@H]1C ZINC000774413216 585657947 /nfs/dbraw/zinc/65/79/47/585657947.db2.gz XQSVQMQXHYXQMC-NXEZZACHSA-N -1 3 220.320 2.066 20 30 BEEDHM C[C@H]1CCCC[C@H]1C=NN=c1cc[n-]n1C ZINC000774410370 585657977 /nfs/dbraw/zinc/65/79/77/585657977.db2.gz JJKGBXJCLNZSGC-QWRGUYRKSA-N -1 3 220.320 2.066 20 30 BEEDHM CC[C@@H]1CCCC(=NN=c2cc[n-]n2C)C1 ZINC000774414800 585658186 /nfs/dbraw/zinc/65/81/86/585658186.db2.gz KNASBZSPSIWDHX-SNVBAGLBSA-N -1 3 220.320 2.210 20 30 BEEDHM C#C[C@H](C)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000775382482 585676653 /nfs/dbraw/zinc/67/66/53/585676653.db2.gz UUIJZKPEALGZRQ-JTQLQIEISA-N -1 3 243.306 2.023 20 30 BEEDHM C#C[C@@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000775381313 585676891 /nfs/dbraw/zinc/67/68/91/585676891.db2.gz GFSCGSLYCLKTAN-SNVBAGLBSA-N -1 3 231.295 2.267 20 30 BEEDHM C#C[C@@H](C)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000775382485 585676910 /nfs/dbraw/zinc/67/69/10/585676910.db2.gz UUIJZKPEALGZRQ-SNVBAGLBSA-N -1 3 243.306 2.023 20 30 BEEDHM Cc1cc([O-])ccc1C(=O)OCC1(C#N)CC1 ZINC000775874174 585686921 /nfs/dbraw/zinc/68/69/21/585686921.db2.gz IPIZAAJRNXUQRJ-UHFFFAOYSA-N -1 3 231.251 2.161 20 30 BEEDHM CN(Cc1ccccc1[O-])CC1(C#N)CC1 ZINC000775981632 585688680 /nfs/dbraw/zinc/68/86/80/585688680.db2.gz HYFGKVWNHPAPNX-UHFFFAOYSA-N -1 3 216.284 2.128 20 30 BEEDHM COc1cccc([O-])c1/C=N/[C@@H]1CCCOCC1 ZINC000776258576 585694248 /nfs/dbraw/zinc/69/42/48/585694248.db2.gz STROPSDQKQGGMZ-HGLKBHAMSA-N -1 3 249.310 2.389 20 30 BEEDHM C=CCCC(=O)COC(=O)c1ccc([O-])c(C)c1 ZINC000778853939 585741506 /nfs/dbraw/zinc/74/15/06/585741506.db2.gz PTORNQNYWYGSRF-UHFFFAOYSA-N -1 3 248.278 2.393 20 30 BEEDHM C=CCOCC/N=C\c1c([O-])cccc1OC ZINC000779708014 585759290 /nfs/dbraw/zinc/75/92/90/585759290.db2.gz QQUXZEHDXDJRTO-UVTDQMKNSA-N -1 3 235.283 2.022 20 30 BEEDHM CC(=NN[C@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000780256794 585775366 /nfs/dbraw/zinc/77/53/66/585775366.db2.gz CLLPBIBTSLHJNP-LBPRGKRZSA-N -1 3 248.326 2.193 20 30 BEEDHM CC(C)[C@H](SCc1ccccc1)C(=O)N[O-] ZINC000782170564 585808854 /nfs/dbraw/zinc/80/88/54/585808854.db2.gz APNGOYKCWDBBDZ-NSHDSACASA-N -1 3 239.340 2.450 20 30 BEEDHM O=C(N[O-])c1cc(-c2cccc(Cl)c2)no1 ZINC000782172332 585808983 /nfs/dbraw/zinc/80/89/83/585808983.db2.gz RBUGJQZKLDEKFS-UHFFFAOYSA-N -1 3 238.630 2.114 20 30 BEEDHM C[C@@H](C(=O)N[O-])c1ccc2ccccc2c1 ZINC000782172197 585809063 /nfs/dbraw/zinc/80/90/63/585809063.db2.gz VWQLDBQXSMSGOD-SECBINFHSA-N -1 3 215.252 2.449 20 30 BEEDHM C=CCC[C@@H](C(=O)N[O-])c1ccccc1 ZINC000782171878 585809213 /nfs/dbraw/zinc/80/92/13/585809213.db2.gz PPZNBQOKCJNPIY-LLVKDONJSA-N -1 3 205.257 2.242 20 30 BEEDHM COc1ccc(CCCCCC(=O)N[O-])cc1 ZINC000782171808 585809228 /nfs/dbraw/zinc/80/92/28/585809228.db2.gz CAHAIEYZGONQCU-UHFFFAOYSA-N -1 3 237.299 2.304 20 30 BEEDHM CC1(C)CCC[C@@H]1NN=Cc1ccc([O-])cn1 ZINC000782286211 585813888 /nfs/dbraw/zinc/81/38/88/585813888.db2.gz GXPBUXBXTOBWTN-LBPRGKRZSA-N -1 3 233.315 2.289 20 30 BEEDHM CC(C)(C)CCNN=Cc1cccc(O)c1[O-] ZINC000782906894 585825840 /nfs/dbraw/zinc/82/58/40/585825840.db2.gz GFCVFUIBNFENKB-UHFFFAOYSA-N -1 3 236.315 2.458 20 30 BEEDHM [O-]c1ccccc1/C=N/CC[C@@H]1CCOC1 ZINC000783686126 585840042 /nfs/dbraw/zinc/84/00/42/585840042.db2.gz XNQFVFDRYYAJHE-ZECSTPGPSA-N -1 3 219.284 2.238 20 30 BEEDHM N#Cc1ccc(C(=O)OCC[C@@H]2CCCCO2)[n-]1 ZINC000784960774 585869087 /nfs/dbraw/zinc/86/90/87/585869087.db2.gz ZKJCNHRYDUPZSK-NSHDSACASA-N -1 3 248.282 2.002 20 30 BEEDHM CC1(C)C[C@H](OC(=O)c2ccc(C#N)[n-]2)CCO1 ZINC000785909967 585883098 /nfs/dbraw/zinc/88/30/98/585883098.db2.gz VIRBIMWILOSRQI-SNVBAGLBSA-N -1 3 248.282 2.001 20 30 BEEDHM CC#CCCOC(=O)c1cc2occc2[n-]1 ZINC000786031015 585885905 /nfs/dbraw/zinc/88/59/05/585885905.db2.gz GIGGILAJWITSEX-UHFFFAOYSA-N -1 3 217.224 2.331 20 30 BEEDHM CC#CCCOC(=O)c1c(C)[n-]nc1C(C)C ZINC000786343250 585890213 /nfs/dbraw/zinc/89/02/13/585890213.db2.gz RTUZGZHHQYBYRJ-UHFFFAOYSA-N -1 3 234.299 2.412 20 30 BEEDHM CC#CCCOC(=O)c1c(C)n[n-]c1C(C)C ZINC000786343250 585890214 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588202272 /nfs/dbraw/zinc/20/22/72/588202272.db2.gz NEPUSASEJCNKDK-VIFPVBQESA-N -1 3 235.287 2.326 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccc(C)nc1C ZINC000844556966 588202273 /nfs/dbraw/zinc/20/22/73/588202273.db2.gz NEPUSASEJCNKDK-VIFPVBQESA-N -1 3 235.287 2.326 20 30 BEEDHM C=C(C)CON=C([O-])Nc1ccc(C)nc1C ZINC000844558738 588202484 /nfs/dbraw/zinc/20/24/84/588202484.db2.gz YALAPNFQDWHIKL-UHFFFAOYSA-N -1 3 235.287 2.328 20 30 BEEDHM C=C(C)CO[N-]C(=O)Nc1ccc(C)nc1C ZINC000844558738 588202485 /nfs/dbraw/zinc/20/24/85/588202485.db2.gz YALAPNFQDWHIKL-UHFFFAOYSA-N -1 3 235.287 2.328 20 30 BEEDHM C=C[C@@H](C)ON=C([O-])Nc1ncccc1C ZINC000844617071 588208376 /nfs/dbraw/zinc/20/83/76/588208376.db2.gz UEMZYVNVQAZTDH-SECBINFHSA-N -1 3 221.260 2.018 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ncccc1C ZINC000844617071 588208377 /nfs/dbraw/zinc/20/83/77/588208377.db2.gz UEMZYVNVQAZTDH-SECBINFHSA-N -1 3 221.260 2.018 20 30 BEEDHM C=C[C@@H](C)ON=C([O-])Nc1cc(C)cc(C)n1 ZINC000844630484 588211671 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588276678 /nfs/dbraw/zinc/27/66/78/588276678.db2.gz GCXYNKMTRUKUCV-RISCZKNCSA-N -1 3 245.322 2.414 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)CC1(CSC)CC1 ZINC000846555824 588277220 /nfs/dbraw/zinc/27/72/20/588277220.db2.gz RUDDUQRIBPEGOO-SECBINFHSA-N -1 3 229.345 2.142 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccsc1C ZINC000846556179 588277222 /nfs/dbraw/zinc/27/72/22/588277222.db2.gz YWBGFEKDLYHISB-QMMMGPOBSA-N -1 3 225.313 2.221 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)CC1(CSC)CC1 ZINC000846555825 588277289 /nfs/dbraw/zinc/27/72/89/588277289.db2.gz RUDDUQRIBPEGOO-VIFPVBQESA-N -1 3 229.345 2.142 20 30 BEEDHM C=CCO[N-]C(=O)CCC[Si](C)(C)C ZINC000848201497 588365710 /nfs/dbraw/zinc/36/57/10/588365710.db2.gz XNTVNCANOLCPJN-UHFFFAOYSA-N -1 3 215.369 2.339 20 30 BEEDHM CC(C)Oc1ccccc1C(F)(F)C(=O)N[O-] ZINC000848370481 588374634 /nfs/dbraw/zinc/37/46/34/588374634.db2.gz COLHBLNNMNONEB-UHFFFAOYSA-N -1 3 245.225 2.071 20 30 BEEDHM CCc1cccc(C=NOC[C@H]2CCOC2)c1[O-] ZINC000848409008 588379604 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589291670 /nfs/dbraw/zinc/29/16/70/589291670.db2.gz HCSMKTGUPJRTAH-VWYCJHECSA-N -1 3 243.734 2.314 20 30 BEEDHM CCc1oc2ccccc2c1CC(=O)N[O-] ZINC000863856679 589323532 /nfs/dbraw/zinc/32/35/32/589323532.db2.gz IYSDNXUTSBAWFI-UHFFFAOYSA-N -1 3 219.240 2.043 20 30 BEEDHM [O-]c1ccccc1/C=N/[C@@H]1CO[C@@H](C2CC2)C1 ZINC000864345973 589353997 /nfs/dbraw/zinc/35/39/97/589353997.db2.gz LDSPKKIRHDCXPL-NLIPMPTESA-N -1 3 231.295 2.379 20 30 BEEDHM COC(=O)C1=CC[C@@H](/N=C\c2ccccc2[O-])C1 ZINC000864344728 589354155 /nfs/dbraw/zinc/35/41/55/589354155.db2.gz FTBSDPLKRLEYIW-CDCQXCROSA-N -1 3 245.278 2.073 20 30 BEEDHM C/C=C/C/N=C/c1c([O-])cccc1OC ZINC000864346087 589354341 /nfs/dbraw/zinc/35/43/41/589354341.db2.gz NMWANRWRSCVSND-GUNLQBCDSA-N -1 3 205.257 2.396 20 30 BEEDHM C=C(C)C[C@@H](NCc1ccc(Cl)o1)C(=O)[O-] ZINC000864529125 589375220 /nfs/dbraw/zinc/37/52/20/589375220.db2.gz CSTFEJBUUABONI-SECBINFHSA-N -1 3 243.690 2.442 20 30 BEEDHM CC#CCCCC(=O)[N-]Oc1cccc(C#N)c1 ZINC000870691744 589684051 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/nfs/dbraw/zinc/02/24/86/992022486.db2.gz GYGZZJIJCAASCN-UHFFFAOYSA-N -1 3 240.328 2.133 20 30 BEEDHM C=CCO[N-]C(=O)Cc1ccc2cnccc2c1 ZINC001569150729 992338285 /nfs/dbraw/zinc/33/82/85/992338285.db2.gz KVOHGAIYEKDRMH-UHFFFAOYSA-N -1 3 242.278 2.011 20 30 BEEDHM CC#CC(=O)Nc1c([O-])cccc1Cl ZINC001569682760 992416487 /nfs/dbraw/zinc/41/64/87/992416487.db2.gz SSZOKBRUAHVGJS-UHFFFAOYSA-N -1 3 209.632 2.007 20 30 BEEDHM C=CCCCN(CC)C(=O)c1ccc(N)cc1[O-] ZINC001263255794 993191702 /nfs/dbraw/zinc/19/17/02/993191702.db2.gz KBBNKNVWKGRDKC-UHFFFAOYSA-N -1 3 248.326 2.403 20 30 BEEDHM C=CCOC(=O)Nc1ccc([O-])c(F)c1 ZINC000701178660 993875621 /nfs/dbraw/zinc/87/56/21/993875621.db2.gz BNIHQKYTXGUEET-UHFFFAOYSA-N -1 3 211.192 2.266 20 30 BEEDHM CC(C)(C)CN(CCC#N)CC1(C(=O)[O-])CC1 ZINC001609657318 1170271926 /nfs/dbraw/zinc/27/19/26/1170271926.db2.gz SQONRPVXHWQCAI-UHFFFAOYSA-N -1 3 238.331 2.113 20 30 BEEDHM CCN(Cc1cccc(C(=O)[O-])c1C#N)C(C)C ZINC001610002362 1170340082 /nfs/dbraw/zinc/34/00/82/1170340082.db2.gz BABKHXAEPFURTA-UHFFFAOYSA-N -1 3 246.310 2.487 20 30 BEEDHM C=CCCO[N-]C(=O)c1c(F)ccc(F)c1F ZINC001630753608 1171420018 /nfs/dbraw/zinc/42/00/18/1171420018.db2.gz KGOLDYSQTFHJSX-UHFFFAOYSA-N -1 3 245.200 2.341 20 30 BEEDHM C=CCO[N-]C(=O)Cc1cccc(Cl)c1 ZINC001635640272 1171748316 /nfs/dbraw/zinc/74/83/16/1171748316.db2.gz CHODPZXDWJWWQD-UHFFFAOYSA-N -1 3 225.675 2.116 20 30 BEEDHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1c[n-]nn1 ZINC000329729575 136256228 /nfs/dbraw/zinc/25/62/28/136256228.db2.gz HRKVFJDPLHKCFQ-LPEHRKFASA-N -1 3 234.303 2.078 20 30 BEEDHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cnn[n-]1 ZINC000329729575 136256229 /nfs/dbraw/zinc/25/62/29/136256229.db2.gz HRKVFJDPLHKCFQ-LPEHRKFASA-N -1 3 234.303 2.078 20 30 BEEDHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cn[n-]n1 ZINC000329729575 136256230 /nfs/dbraw/zinc/25/62/30/136256230.db2.gz HRKVFJDPLHKCFQ-LPEHRKFASA-N -1 3 234.303 2.078 20 30 BEEDHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1c[n-]nn1 ZINC000329729569 136256382 /nfs/dbraw/zinc/25/63/82/136256382.db2.gz HRKVFJDPLHKCFQ-IVZWLZJFSA-N -1 3 234.303 2.078 20 30 BEEDHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cnn[n-]1 ZINC000329729569 136256383 /nfs/dbraw/zinc/25/63/83/136256383.db2.gz HRKVFJDPLHKCFQ-IVZWLZJFSA-N -1 3 234.303 2.078 20 30 BEEDHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cn[n-]n1 ZINC000329729569 136256384 /nfs/dbraw/zinc/25/63/84/136256384.db2.gz HRKVFJDPLHKCFQ-IVZWLZJFSA-N -1 3 234.303 2.078 20 30 BEEDHM C=C1CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000279401973 187241417 /nfs/dbraw/zinc/24/14/17/187241417.db2.gz ISGVRLXKEWSLNK-NSHDSACASA-N -1 3 233.315 2.204 20 30 BEEDHM CCN(CCC#N)C(=O)c1cccc(C)c1[O-] ZINC000042451236 136272752 /nfs/dbraw/zinc/27/27/52/136272752.db2.gz QTVQTFNMBBSXBA-UHFFFAOYSA-N -1 3 232.283 2.076 20 30 BEEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCC2(C)C)c1[O-] ZINC000286670130 136287746 /nfs/dbraw/zinc/28/77/46/136287746.db2.gz YSDHKKKCQSAACN-QFULYMJESA-N -1 3 248.326 2.195 20 30 BEEDHM Cc1oc(C#N)cc1C(=O)Nc1ccccc1[O-] ZINC000335850812 136355341 /nfs/dbraw/zinc/35/53/41/136355341.db2.gz NLJJVYSISFLKAT-UHFFFAOYSA-N -1 3 242.234 2.418 20 30 BEEDHM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)N[O-])o1 ZINC000671996959 488234898 /nfs/dbraw/zinc/23/48/98/488234898.db2.gz ZHFDDAAXMKLNHI-XGEHTFHBSA-N -1 3 221.256 2.012 20 30 BEEDHM CO[C@H](C/N=C/c1ccccc1[O-])C(C)C ZINC000075078330 344764968 /nfs/dbraw/zinc/76/49/68/344764968.db2.gz RTXVFSQQJUTPHK-SJWLEHQBSA-N -1 3 221.300 2.482 20 30 BEEDHM N#CCCN(CC1CC1)C(=O)c1ccccc1[O-] ZINC000155553521 346350111 /nfs/dbraw/zinc/35/01/11/346350111.db2.gz GFAIBZLTWGMZGI-UHFFFAOYSA-N -1 3 244.294 2.158 20 30 BEEDHM CN(CC#N)Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000589496351 346709216 /nfs/dbraw/zinc/70/92/16/346709216.db2.gz ROYGIOJZWGUTSI-UHFFFAOYSA-N -1 3 244.216 2.366 20 30 BEEDHM N#CC1(CC(=O)Nc2ccccc2[O-])CC1 ZINC000590170274 346786942 /nfs/dbraw/zinc/78/69/42/346786942.db2.gz YGLBKUQMNIKNOJ-UHFFFAOYSA-N -1 3 216.240 2.025 20 30 BEEDHM C#CCCCC(=O)Nc1c(C)cccc1[O-] ZINC000192200403 347369658 /nfs/dbraw/zinc/36/96/58/347369658.db2.gz LOJDCMGDVJVAHF-UHFFFAOYSA-N -1 3 217.268 2.443 20 30 BEEDHM CC[C@@H](C#N)C(=O)Nc1ccc([O-])cc1F ZINC000593590245 347915008 /nfs/dbraw/zinc/91/50/08/347915008.db2.gz FPJXDGNBPDAMHB-ZETCQYMHSA-N -1 3 222.219 2.020 20 30 BEEDHM C=C(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596253784 348475593 /nfs/dbraw/zinc/47/55/93/348475593.db2.gz DUHNXQKSMZFIDC-UHFFFAOYSA-N -1 3 223.232 2.074 20 30 BEEDHM CCc1cccc(C(=O)N(CC)[C@H](C)C#N)c1[O-] ZINC000598357507 348941858 /nfs/dbraw/zinc/94/18/58/348941858.db2.gz IPYLTHLWFRNEHX-SNVBAGLBSA-N -1 3 246.310 2.329 20 30 BEEDHM CCc1ccc([O-])c(C(=O)N(CC)[C@@H](C)C#N)c1 ZINC000598358529 348942751 /nfs/dbraw/zinc/94/27/51/348942751.db2.gz PJDOEGNQKRMSQF-JTQLQIEISA-N -1 3 246.310 2.329 20 30 BEEDHM Cc1cccc([O-])c1C(=O)N(C)[C@H](C)CC#N ZINC000599330059 349156541 /nfs/dbraw/zinc/15/65/41/349156541.db2.gz USMOAMPRWWXXKV-SNVBAGLBSA-N -1 3 232.283 2.075 20 30 BEEDHM C=CC(C)(C)CCNC(=O)c1csc(=O)[n-]1 ZINC000628314025 349431937 /nfs/dbraw/zinc/43/19/37/349431937.db2.gz KMJXLVHWQVJMAM-UHFFFAOYSA-N -1 3 240.328 2.181 20 30 BEEDHM CC#CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000334603256 538075046 /nfs/dbraw/zinc/07/50/46/538075046.db2.gz IVFXDRURFOBUON-UHFFFAOYSA-N -1 3 239.274 2.299 20 30 BEEDHM C=CC(C)(C)CNC(=O)c1cccc(OC)c1[O-] ZINC000384893825 350617838 /nfs/dbraw/zinc/61/78/38/350617838.db2.gz ZEDTYWKOZZZBJO-UHFFFAOYSA-N -1 3 249.310 2.343 20 30 BEEDHM C[C@@H]1COCC[C@@H]1C/N=C/c1ccccc1[O-] ZINC000285269675 352033200 /nfs/dbraw/zinc/03/32/00/352033200.db2.gz HVMSJSDNVWIITP-ZOPJJOQRSA-N -1 3 233.311 2.484 20 30 BEEDHM CCc1cc(C(=O)NCCCCC#N)ccc1[O-] ZINC000291554330 352279957 /nfs/dbraw/zinc/27/99/57/352279957.db2.gz QRFDEAQMWYFQRK-UHFFFAOYSA-N -1 3 246.310 2.378 20 30 BEEDHM CC[C@@](C)(C#N)C(=O)Nc1cccc([O-])c1F ZINC000334208452 352804638 /nfs/dbraw/zinc/80/46/38/352804638.db2.gz FFACVVCXXMHGNW-LBPRGKRZSA-N -1 3 236.246 2.410 20 30 BEEDHM O=C(Cc1cc(Cl)ccc1Cl)N[O-] ZINC000306769093 353037292 /nfs/dbraw/zinc/03/72/92/353037292.db2.gz ZZBDGAWTKSGYRE-UHFFFAOYSA-N -1 3 220.055 2.041 20 30 BEEDHM C=C[C@@H](CC(=O)[N-]OCC)c1ccccc1 ZINC000128760939 353301447 /nfs/dbraw/zinc/30/14/47/353301447.db2.gz PGZVUMUGLTXUNJ-NSHDSACASA-N -1 3 219.284 2.414 20 30 BEEDHM C=C(C)CNC(=O)c1cccc(C)c1[O-] ZINC000153414183 188328427 /nfs/dbraw/zinc/32/84/27/188328427.db2.gz VLYFDAYOFZOCNP-UHFFFAOYSA-N -1 3 205.257 2.007 20 30 BEEDHM C#CCCCC(=O)[N-]OCc1ccc(F)cc1 ZINC000192173816 353546645 /nfs/dbraw/zinc/54/66/45/353546645.db2.gz UHHVTMSXWPRSGJ-UHFFFAOYSA-N -1 3 235.258 2.177 20 30 BEEDHM C#CCCCC(=O)N1CCCc2cccc([O-])c21 ZINC000192198142 353547451 /nfs/dbraw/zinc/54/74/51/353547451.db2.gz DIHFIQMLSXXPLS-UHFFFAOYSA-N -1 3 243.306 2.475 20 30 BEEDHM C#C[C@@H](NC(=O)c1ccc([O-])c(CC)c1)C(C)C ZINC000291713967 353697503 /nfs/dbraw/zinc/69/75/03/353697503.db2.gz QCRSGNHBVISCGK-CYBMUJFWSA-N -1 3 245.322 2.342 20 30 BEEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccco1 ZINC000292514613 353715098 /nfs/dbraw/zinc/71/50/98/353715098.db2.gz HAYALWGHRZXFQN-UHFFFAOYSA-N -1 3 243.328 2.160 20 30 BEEDHM C=C(C)C[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000185135516 353762020 /nfs/dbraw/zinc/76/20/20/353762020.db2.gz RKQQGEGGYGZLFX-SECBINFHSA-N -1 3 220.272 2.328 20 30 BEEDHM N#CCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000336412749 181034045 /nfs/dbraw/zinc/03/40/45/181034045.db2.gz AAQLJTRJCWHNJY-UHFFFAOYSA-N -1 3 244.172 2.263 20 30 BEEDHM N#Cc1ccc(C(=O)Nc2cccc([O-])c2)o1 ZINC000310441090 181101629 /nfs/dbraw/zinc/10/16/29/181101629.db2.gz SKNLTBPJSOFKLV-UHFFFAOYSA-N -1 3 228.207 2.109 20 30 BEEDHM N#Cc1ccc(NC(=O)[N-]OCC2CC2)cc1 ZINC000292283058 181118456 /nfs/dbraw/zinc/11/84/56/181118456.db2.gz IKIPGBHUOSJSNI-UHFFFAOYSA-N -1 3 231.255 2.021 20 30 BEEDHM O=C(NCC1(C2CC2)CC1)c1csc(=O)[n-]1 ZINC000329908238 356142224 /nfs/dbraw/zinc/14/22/24/356142224.db2.gz LNZKLWCCKFIMKY-UHFFFAOYSA-N -1 3 238.312 2.344 20 30 BEEDHM CCc1nc(C([O-])=C(C#N)c2ccccn2)co1 ZINC000123572858 358503790 /nfs/dbraw/zinc/50/37/90/358503790.db2.gz OZCVFTISWKVTHK-SECBINFHSA-N -1 3 241.250 2.122 20 30 BEEDHM CCc1ocnc1C([O-])=C(C#N)c1ccccn1 ZINC000353022244 134158886 /nfs/dbraw/zinc/15/88/86/134158886.db2.gz GCRWZZPQQOTICR-VIFPVBQESA-N -1 3 241.250 2.122 20 30 BEEDHM CC#CCCNC(=O)c1cc(CC)ccc1[O-] ZINC000543604812 325096501 /nfs/dbraw/zinc/09/65/01/325096501.db2.gz FDYGLGKRUPYVOF-UHFFFAOYSA-N -1 3 231.295 2.098 20 30 BEEDHM C=C(C)CNC(=O)c1c(C)cccc1[O-] ZINC000626519179 357168569 /nfs/dbraw/zinc/16/85/69/357168569.db2.gz YFAKMYWFWLTASA-UHFFFAOYSA-N -1 3 205.257 2.007 20 30 BEEDHM C=C[C@H](C)NC(=O)c1ccc([O-])c(CC)c1 ZINC000362898064 134214851 /nfs/dbraw/zinc/21/48/51/134214851.db2.gz YRYIBBGHFUPKGR-VIFPVBQESA-N -1 3 219.284 2.259 20 30 BEEDHM CC[C@@](C)(C#N)NC(=O)c1cccc(C)c1[O-] ZINC000040357399 358235017 /nfs/dbraw/zinc/23/50/17/358235017.db2.gz MXRWVXFJMWPDBU-ZDUSSCGKSA-N -1 3 232.283 2.123 20 30 BEEDHM N#CC(=C([O-])c1ccc(C#N)cc1)c1ccccn1 ZINC000046439753 358576914 /nfs/dbraw/zinc/57/69/14/358576914.db2.gz IPLMOODCWFQLHD-ZDUSSCGKSA-N -1 3 247.257 2.443 20 30 BEEDHM C=CCCOCCNC(=O)c1cccc(C)c1[O-] ZINC000129627710 358591681 /nfs/dbraw/zinc/59/16/81/358591681.db2.gz IVIHEBWGRWDNDG-UHFFFAOYSA-N -1 3 249.310 2.023 20 30 BEEDHM Cc1ccc(C(=O)N(C)C[C@@H](C)C#N)c([O-])c1C ZINC000057308849 358904059 /nfs/dbraw/zinc/90/40/59/358904059.db2.gz YPLAZFMZOXZTAW-VIFPVBQESA-N -1 3 246.310 2.241 20 30 BEEDHM C=C(CC)CN=c1[n-]c(C(C)=O)c(C)s1 ZINC000450907108 202304821 /nfs/dbraw/zinc/30/48/21/202304821.db2.gz JYQIKPRKZPKRNM-UHFFFAOYSA-N -1 3 224.329 2.454 20 30 BEEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451206807 202381843 /nfs/dbraw/zinc/38/18/43/202381843.db2.gz HNLKFPIQZTXMBU-VIFPVBQESA-N -1 3 245.369 2.299 20 30 BEEDHM CCN(Cc1nc(C)ccc1[O-])C[C@@H](C)C#N ZINC000091982690 360141548 /nfs/dbraw/zinc/14/15/48/360141548.db2.gz IEAJESCUKOXNRR-JTQLQIEISA-N -1 3 233.315 2.077 20 30 BEEDHM CCN(Cc1nc(C)ccc1[O-])C[C@H](C)C#N ZINC000091982692 360141820 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/nfs/dbraw/zinc/85/56/54/584855654.db2.gz YZPRLDPLKIMJID-UHFFFAOYSA-N -1 3 222.288 2.276 20 30 BEEDHM CCCCN([O-])C(=O)c1ocnc1C1CC1 ZINC000904213726 584855854 /nfs/dbraw/zinc/85/58/54/584855854.db2.gz YNROSANKUPPPIW-UHFFFAOYSA-N -1 3 224.260 2.184 20 30 BEEDHM CCCCN([O-])C(=O)C1Cc2ccccc2C1 ZINC000904213757 584855909 /nfs/dbraw/zinc/85/59/09/584855909.db2.gz ZWZLXKMAOMJFPU-UHFFFAOYSA-N -1 3 233.311 2.419 20 30 BEEDHM CCCCN([O-])C(=O)c1ccnn1CC(C)C ZINC000904214617 584856391 /nfs/dbraw/zinc/85/63/91/584856391.db2.gz GKQPVJNOIRFEGP-UHFFFAOYSA-N -1 3 239.319 2.171 20 30 BEEDHM CC(=NOC[C@@H]1CCOC1)c1ccccc1[O-] ZINC000788029175 584915696 /nfs/dbraw/zinc/91/56/96/584915696.db2.gz DBDKBICONOWKEL-LLVKDONJSA-N -1 3 235.283 2.169 20 30 BEEDHM CC(=NN=c1cc[n-]n1C)[C@H]1CCCC[C@H]1C ZINC000834968550 584915872 /nfs/dbraw/zinc/91/58/72/584915872.db2.gz FSRHDKTWCLGJAC-PWSUYJOCSA-N -1 3 234.347 2.456 20 30 BEEDHM CC(=NN=c1cc[n-]n1C)[C@@H]1CCCC[C@H]1C ZINC000834968552 584915998 /nfs/dbraw/zinc/91/59/98/584915998.db2.gz FSRHDKTWCLGJAC-ZYHUDNBSSA-N -1 3 234.347 2.456 20 30 BEEDHM C[C@H]1CC[C@H](C)C(=NN=c2cc[n-]n2C)C1 ZINC000834970445 584916018 /nfs/dbraw/zinc/91/60/18/584916018.db2.gz WOIWTKRJIUFZLN-UWVGGRQHSA-N -1 3 220.320 2.066 20 30 BEEDHM CC(=NOC[C@H]1CCOC1)c1ccc([O-])cc1 ZINC000788030071 584919981 /nfs/dbraw/zinc/91/99/81/584919981.db2.gz KFYIHWNHAUVSEQ-NSHDSACASA-N -1 3 235.283 2.169 20 30 BEEDHM [O-]c1cc(O)ccc1C=NNc1ccc(F)cn1 ZINC000731320363 584924973 /nfs/dbraw/zinc/92/49/73/584924973.db2.gz YSTLBSMFXFOBBB-UHFFFAOYSA-N -1 3 247.229 2.078 20 30 BEEDHM CC(=NOC[C@@H]1CCOC1)c1sccc1[O-] ZINC000788034922 584925300 /nfs/dbraw/zinc/92/53/00/584925300.db2.gz WGTWOEHLUNMVEX-SECBINFHSA-N -1 3 241.312 2.231 20 30 BEEDHM C[C@@]1(C/N=C/c2ccccc2[O-])CCOC1 ZINC000733081135 584943020 /nfs/dbraw/zinc/94/30/20/584943020.db2.gz OOBLRRYCGVDLMM-JGWKKKPCSA-N -1 3 219.284 2.238 20 30 BEEDHM C=CCCCOc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000735413223 584975927 /nfs/dbraw/zinc/97/59/27/584975927.db2.gz QKYNOFPZBQIGOS-UHFFFAOYSA-N -1 3 248.261 2.351 20 30 BEEDHM C=CCCCOc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000735413223 584975928 /nfs/dbraw/zinc/97/59/28/584975928.db2.gz QKYNOFPZBQIGOS-UHFFFAOYSA-N -1 3 248.261 2.351 20 30 BEEDHM C=CCN(Cc1cccc(C#N)c1)[C@@H](C)C(=O)[O-] ZINC000736108596 584988797 /nfs/dbraw/zinc/98/87/97/584988797.db2.gz ISLVXEBTTGRENI-NSHDSACASA-N -1 3 244.294 2.019 20 30 BEEDHM N#Cc1ccc(F)c(NC([O-])=NOC2CCC2)c1 ZINC000888370448 585013532 /nfs/dbraw/zinc/01/35/32/585013532.db2.gz IMPYRADSNYNTCR-UHFFFAOYSA-N -1 3 249.245 2.303 20 30 BEEDHM N#Cc1ccc(F)c(NC(=O)[N-]OC2CCC2)c1 ZINC000888370448 585013533 /nfs/dbraw/zinc/01/35/33/585013533.db2.gz IMPYRADSNYNTCR-UHFFFAOYSA-N -1 3 249.245 2.303 20 30 BEEDHM C=CCON=C([O-])N1CCc2ccc(F)cc21 ZINC000838704323 585065236 /nfs/dbraw/zinc/06/52/36/585065236.db2.gz SBXSYKZXDSIJPZ-UHFFFAOYSA-N -1 3 236.246 2.015 20 30 BEEDHM C=CCO[N-]C(=O)N1CCc2ccc(F)cc21 ZINC000838704323 585065237 /nfs/dbraw/zinc/06/52/37/585065237.db2.gz SBXSYKZXDSIJPZ-UHFFFAOYSA-N -1 3 236.246 2.015 20 30 BEEDHM COc1cccc([O-])c1/C=N/[C@@H]1CCSC1 ZINC000743044269 585133512 /nfs/dbraw/zinc/13/35/12/585133512.db2.gz IDEQYORLMCMSBG-MRACZJACSA-N -1 3 237.324 2.325 20 30 BEEDHM C#CCCCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000743730800 585139055 /nfs/dbraw/zinc/13/90/55/585139055.db2.gz FJALAURYRUVJII-UHFFFAOYSA-N -1 3 231.295 2.152 20 30 BEEDHM C#C[C@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000744178487 585145354 /nfs/dbraw/zinc/14/53/54/585145354.db2.gz BPEPGYRNAAKMGT-ZETCQYMHSA-N -1 3 219.265 2.408 20 30 BEEDHM CC#CCOC(=O)c1ccc(Cl)cc1[O-] ZINC000744472253 585150866 /nfs/dbraw/zinc/15/08/66/585150866.db2.gz OPBHPXRAYJORNR-UHFFFAOYSA-N -1 3 224.643 2.226 20 30 BEEDHM CC#CCOC(=O)c1cc(-c2cccs2)n[n-]1 ZINC000744762892 585152717 /nfs/dbraw/zinc/15/27/17/585152717.db2.gz UXCQHEYRQUBNMB-UHFFFAOYSA-N -1 3 246.291 2.318 20 30 BEEDHM CC#CCOC(=O)c1cc(-c2cccs2)[n-]n1 ZINC000744762892 585152718 /nfs/dbraw/zinc/15/27/18/585152718.db2.gz UXCQHEYRQUBNMB-UHFFFAOYSA-N -1 3 246.291 2.318 20 30 BEEDHM CC/C=C\COC(=O)c1ccc(C#N)[n-]1 ZINC000752478040 585246545 /nfs/dbraw/zinc/24/65/45/585246545.db2.gz GYHHRFFGIZZVDY-ARJAWSKDSA-N -1 3 204.229 2.009 20 30 BEEDHM C#CC[C@@H](OC(=O)c1ccc(C#N)[n-]1)C(C)C ZINC000752512674 585247337 /nfs/dbraw/zinc/24/73/37/585247337.db2.gz QMOFLVLPLCHIOW-GFCCVEGCSA-N -1 3 230.267 2.091 20 30 BEEDHM COc1cccc([O-])c1/C=N/CCOC(C)C ZINC000753993126 585274390 /nfs/dbraw/zinc/27/43/90/585274390.db2.gz DNRSECDFWKVPKH-NTEUORMPSA-N -1 3 237.299 2.245 20 30 BEEDHM C#C[C@H](CC)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000754379124 585283866 /nfs/dbraw/zinc/28/38/66/585283866.db2.gz IQQSEWBWGDJGGX-LLVKDONJSA-N -1 3 231.295 2.151 20 30 BEEDHM [O-]c1ccc(C=NNc2ccc(F)cc2)nc1 ZINC000755472562 585300263 /nfs/dbraw/zinc/30/02/63/585300263.db2.gz XOWNBGAXANBSQF-UHFFFAOYSA-N -1 3 231.230 2.372 20 30 BEEDHM N#Cc1cccc(NN=Cc2ccc([O-])cn2)c1 ZINC000755624377 585302648 /nfs/dbraw/zinc/30/26/48/585302648.db2.gz JFSMAIFEGKYJHP-UHFFFAOYSA-N -1 3 238.250 2.105 20 30 BEEDHM [O-]c1ccc(CN=Nc2ncccc2Cl)nc1 ZINC000755656973 585303565 /nfs/dbraw/zinc/30/35/65/585303565.db2.gz XPZQKGRSSHYCTI-UHFFFAOYSA-N -1 3 248.673 2.282 20 30 BEEDHM Cc1cccc(CNN=Cc2ccc([O-])cn2)c1 ZINC000755774016 585307007 /nfs/dbraw/zinc/30/70/07/585307007.db2.gz OKAHBNVSAWNMKU-UHFFFAOYSA-N -1 3 241.294 2.219 20 30 BEEDHM C[C@H](C#N)CNN=Cc1c([O-])cccc1Cl ZINC000755800811 585307421 /nfs/dbraw/zinc/30/74/21/585307421.db2.gz BYQLTHZZIJVLOV-MRVPVSSYSA-N -1 3 237.690 2.129 20 30 BEEDHM Cc1cc(C(C#N)=C([O-])C=C2CCC2)nc(C)n1 ZINC000756234708 585316037 /nfs/dbraw/zinc/31/60/37/585316037.db2.gz YSFWJEALYWORMU-LBPRGKRZSA-N -1 3 241.294 2.380 20 30 BEEDHM C[C@H]1C[C@H]1C=NNc1nc(=O)c2ccccc2[n-]1 ZINC000758377952 585355318 /nfs/dbraw/zinc/35/53/18/585355318.db2.gz HCNUTZHTTRRPPY-IUCAKERBSA-N -1 3 242.282 2.389 20 30 BEEDHM Cc1ccc([O-])c(C=NOCC(F)F)c1 ZINC000758910016 585362678 /nfs/dbraw/zinc/36/26/78/585362678.db2.gz GWYOOSVWKRNYDI-UHFFFAOYSA-N -1 3 215.199 2.316 20 30 BEEDHM COc1cccc([O-])c1/C=N\[C@@H]1CCOC[C@@H]1C ZINC000760990562 585403267 /nfs/dbraw/zinc/40/32/67/585403267.db2.gz QDDLGEOFKMCIRV-CREGXCKCSA-N -1 3 249.310 2.245 20 30 BEEDHM C=CCCC(=O)COC(=O)c1cc([O-])cs1 ZINC000761401307 585414987 /nfs/dbraw/zinc/41/49/87/585414987.db2.gz DTHXCSWYQVGJDB-UHFFFAOYSA-N -1 3 240.280 2.146 20 30 BEEDHM C=CCCC(=O)COC(=O)c1ccc([O-])cc1C ZINC000761432047 585415646 /nfs/dbraw/zinc/41/56/46/585415646.db2.gz WQQPECBZONOVQO-UHFFFAOYSA-N -1 3 248.278 2.393 20 30 BEEDHM C=C(C)CSCc1nc(C)cc(=O)[n-]1 ZINC000763216012 585444868 /nfs/dbraw/zinc/44/48/68/585444868.db2.gz NCQQQBFKQGLUSM-UHFFFAOYSA-N -1 3 210.302 2.300 20 30 BEEDHM CC(C)CC[C@H]1CCCC1=N[N-]S(C)(=O)=O ZINC000764699976 585470782 /nfs/dbraw/zinc/47/07/82/585470782.db2.gz MECGGMCVAXWANH-SNVBAGLBSA-N -1 3 246.376 2.128 20 30 BEEDHM COc1cccc([O-])c1C=NOCC(F)(F)F ZINC000764840194 585475450 /nfs/dbraw/zinc/47/54/50/585475450.db2.gz NYCBKYIPWDXXOI-UHFFFAOYSA-N -1 3 249.188 2.314 20 30 BEEDHM C#CCCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000765485882 585487872 /nfs/dbraw/zinc/48/78/72/585487872.db2.gz CODAQAPWJHIOAD-UHFFFAOYSA-N -1 3 242.633 2.365 20 30 BEEDHM C#C[C@@H](CC)OC(=O)c1cc(-c2ccoc2)[n-]n1 ZINC000768061525 585531186 /nfs/dbraw/zinc/53/11/86/585531186.db2.gz XLGKPGNGGTUDKO-JTQLQIEISA-N -1 3 244.250 2.238 20 30 BEEDHM CCOc1ccc(CN(CC#N)C2CC2)c([O-])c1 ZINC000769095197 585548745 /nfs/dbraw/zinc/54/87/45/585548745.db2.gz BHQFKXLHXLNUNT-UHFFFAOYSA-N -1 3 246.310 2.279 20 30 BEEDHM CC(N=Nc1cnccn1)c1sccc1[O-] ZINC000769774350 585563377 /nfs/dbraw/zinc/56/33/77/585563377.db2.gz JZJXBGJUDORSFO-UHFFFAOYSA-N -1 3 234.284 2.080 20 30 BEEDHM CC(=NNC[C@@H](C)C#N)c1cc(F)ccc1[O-] ZINC000771113457 585591104 /nfs/dbraw/zinc/59/11/04/585591104.db2.gz WFGPAVHXOYQICX-QMMMGPOBSA-N -1 3 235.262 2.005 20 30 BEEDHM C[C@H](CC#N)NN=Cc1cc(Cl)ccc1[O-] ZINC000771883350 585602951 /nfs/dbraw/zinc/60/29/51/585602951.db2.gz CMTASKMZPYUBKR-MRVPVSSYSA-N -1 3 237.690 2.271 20 30 BEEDHM CCOc1ccc(C=NN[C@H](C)CC#N)c([O-])c1 ZINC000771887666 585603561 /nfs/dbraw/zinc/60/35/61/585603561.db2.gz GKMUJQHPVBSNKY-SNVBAGLBSA-N -1 3 247.298 2.017 20 30 BEEDHM C#CCCCOC(=O)c1c([O-])cccc1F ZINC000772575949 585618296 /nfs/dbraw/zinc/61/82/96/585618296.db2.gz FPMQGWDFSCQYER-UHFFFAOYSA-N -1 3 222.215 2.102 20 30 BEEDHM Cn1[n-]ccc1=NN=C1CCC[C@@H](C2CC2)C1 ZINC000774409262 585657428 /nfs/dbraw/zinc/65/74/28/585657428.db2.gz GQQGATCKCIUOSZ-LLVKDONJSA-N -1 3 232.331 2.210 20 30 BEEDHM C[C@@H]1C[C@H]1c1ccc(C=NN=c2cc[n-]n2C)o1 ZINC000774408821 585657516 /nfs/dbraw/zinc/65/75/16/585657516.db2.gz FCLRJMXOCSQTBT-MWLCHTKSSA-N -1 3 244.298 2.004 20 30 BEEDHM C[C@H]1CC(C)(C)CCC1=NN=c1cc[n-]n1C ZINC000774412809 585657888 /nfs/dbraw/zinc/65/78/88/585657888.db2.gz HHJQCRKWXPESIT-JTQLQIEISA-N -1 3 234.347 2.456 20 30 BEEDHM C=C(C)[C@H](CC(=O)[N-]OC1CCCC1)OCC ZINC000775274270 585674636 /nfs/dbraw/zinc/67/46/36/585674636.db2.gz UAPLPDZEXCUFAI-LBPRGKRZSA-N -1 3 241.331 2.348 20 30 BEEDHM CSC(C)(C)COC(=O)c1ccc(C#N)[n-]1 ZINC000775314734 585675291 /nfs/dbraw/zinc/67/52/91/585675291.db2.gz ZHFRRAARLYRETR-UHFFFAOYSA-N -1 3 238.312 2.185 20 30 BEEDHM C#C[C@@H](C)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000775380962 585676856 /nfs/dbraw/zinc/67/68/56/585676856.db2.gz FGIMCGDBNGFVEH-MRVPVSSYSA-N -1 3 241.212 2.055 20 30 BEEDHM C=CCCOC(=O)c1ccc([O-])c(C)c1 ZINC000778854164 585741678 /nfs/dbraw/zinc/74/16/78/585741678.db2.gz XSGGXKRARLQHCR-UHFFFAOYSA-N -1 3 206.241 2.434 20 30 BEEDHM C=CCN(C(=O)/C=C/c1cncc([O-])c1)C(C)C ZINC000779663824 585758680 /nfs/dbraw/zinc/75/86/80/585758680.db2.gz PCXRUWSUUUYDCB-AATRIKPKSA-N -1 3 246.310 2.223 20 30 BEEDHM Cc1ccc([O-])c(C=NNc2ccnc(F)c2)n1 ZINC000781132333 585791134 /nfs/dbraw/zinc/79/11/34/585791134.db2.gz DOAWJPIWXSLZBP-UHFFFAOYSA-N -1 3 246.245 2.076 20 30 BEEDHM CC[C@@H](C#N)OC(=O)c1ccc([O-])c(C)c1 ZINC000781206594 585793163 /nfs/dbraw/zinc/79/31/63/585793163.db2.gz VATIOEMBXORMAB-JTQLQIEISA-N -1 3 219.240 2.160 20 30 BEEDHM Cc1cc(CCCC(=O)N[O-])c(C)s1 ZINC000782171845 585809083 /nfs/dbraw/zinc/80/90/83/585809083.db2.gz FJAGPLABMMUHNV-UHFFFAOYSA-N -1 3 213.302 2.193 20 30 BEEDHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[O-] ZINC000782173083 585809556 /nfs/dbraw/zinc/80/95/56/585809556.db2.gz JKFYIWSZQRYRFC-ZETCQYMHSA-N -1 3 213.664 2.024 20 30 BEEDHM CC(C)(C#N)CCCOC(=O)c1cncc([O-])c1 ZINC000783624487 585838785 /nfs/dbraw/zinc/83/87/85/585838785.db2.gz LJQQXCLVEXKJJZ-UHFFFAOYSA-N -1 3 248.282 2.274 20 30 BEEDHM COc1cccc([O-])c1/C=N/CC[C@@H]1CCOC1 ZINC000783685993 585840186 /nfs/dbraw/zinc/84/01/86/585840186.db2.gz UBPPFSGZRVOUBT-BTAWCLGRSA-N -1 3 249.310 2.246 20 30 BEEDHM O=C(N[O-])C1(Cc2ccccc2Cl)CC1 ZINC000784770931 585865870 /nfs/dbraw/zinc/86/58/70/585865870.db2.gz SGEJBRJDQBOJPO-UHFFFAOYSA-N -1 3 225.675 2.168 20 30 BEEDHM C[C@@H](C#N)OC(=O)c1cc([O-])ccc1Cl ZINC000785866067 585882264 /nfs/dbraw/zinc/88/22/64/585882264.db2.gz BJFKVQVMCYAMKM-LURJTMIESA-N -1 3 225.631 2.114 20 30 BEEDHM C#CCCOC(=O)c1c(C)[n-]nc1C(C)C ZINC000786339894 585889985 /nfs/dbraw/zinc/88/99/85/585889985.db2.gz HKPLNHQPEJDRTA-UHFFFAOYSA-N -1 3 220.272 2.022 20 30 BEEDHM C#CCCOC(=O)c1c(C)n[n-]c1C(C)C ZINC000786339894 585889986 /nfs/dbraw/zinc/88/99/86/585889986.db2.gz HKPLNHQPEJDRTA-UHFFFAOYSA-N -1 3 220.272 2.022 20 30 BEEDHM Cn1[n-]ccc1=NN=C(CC(C)(C)C)C1CC1 ZINC000787162825 585902234 /nfs/dbraw/zinc/90/22/34/585902234.db2.gz PUEPKELCRIRFOL-UHFFFAOYSA-N -1 3 234.347 2.456 20 30 BEEDHM C=C[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000787682891 585914135 /nfs/dbraw/zinc/91/41/35/585914135.db2.gz ZTJUNRHBHOAWHZ-SNVBAGLBSA-N -1 3 247.294 2.279 20 30 BEEDHM CC[C@H](C)NN=Cc1ccc([O-])c(F)c1 ZINC000790183108 585958788 /nfs/dbraw/zinc/95/87/88/585958788.db2.gz OIGOPMAHQHFWDA-QMMMGPOBSA-N -1 3 210.252 2.253 20 30 BEEDHM CC[C@@H](C)NN=Cc1ccc([O-])c(F)c1 ZINC000790183107 585958839 /nfs/dbraw/zinc/95/88/39/585958839.db2.gz OIGOPMAHQHFWDA-MRVPVSSYSA-N -1 3 210.252 2.253 20 30 BEEDHM N#Cc1ccc(C(=O)OCC2=CCCC2)[n-]1 ZINC000790824162 585969668 /nfs/dbraw/zinc/96/96/68/585969668.db2.gz UKJRJTUJUKJSGQ-UHFFFAOYSA-N -1 3 216.240 2.153 20 30 BEEDHM C#C[C@H](CCC)NC(=O)c1ccc(CC)cc1[O-] ZINC000791743006 585986998 /nfs/dbraw/zinc/98/69/98/585986998.db2.gz YXXXITHXTQCCHM-GFCCVEGCSA-N -1 3 245.322 2.486 20 30 BEEDHM CC1(CNN=Cc2ccc([O-])cn2)CCCC1 ZINC000793084613 586010041 /nfs/dbraw/zinc/01/00/41/586010041.db2.gz QXMCRPWVGKAHRE-UHFFFAOYSA-N -1 3 233.315 2.291 20 30 BEEDHM CC(=NNc1cncnc1)c1cc(F)ccc1[O-] ZINC000794976196 586060394 /nfs/dbraw/zinc/06/03/94/586060394.db2.gz GPXILJTZLCZAMN-UHFFFAOYSA-N -1 3 246.245 2.157 20 30 BEEDHM Cc1ccc([O-])c(CN=Nc2ncccc2F)n1 ZINC000794980132 586061173 /nfs/dbraw/zinc/06/11/73/586061173.db2.gz FMIJMBCZXOXBGG-UHFFFAOYSA-N -1 3 246.245 2.076 20 30 BEEDHM CCOc1ccc(CNCC2(C#N)CC2)c([O-])c1 ZINC000797605919 586129487 /nfs/dbraw/zinc/12/94/87/586129487.db2.gz YUKRRXIIJJNUFV-UHFFFAOYSA-N -1 3 246.310 2.184 20 30 BEEDHM C#C[C@@H](NC(=O)c1ccc(CC)cc1[O-])C(C)C ZINC000799043677 586154899 /nfs/dbraw/zinc/15/48/99/586154899.db2.gz BBQCUYDWOISRSX-CYBMUJFWSA-N -1 3 245.322 2.342 20 30 BEEDHM CC(=NN1CCOCC1)c1c(C)cc(C)cc1[O-] ZINC000799864913 586198598 /nfs/dbraw/zinc/19/85/98/586198598.db2.gz LUBKXZXPXFKQMY-UHFFFAOYSA-N -1 3 248.326 2.065 20 30 BEEDHM N#CC(=C([O-])C=Cc1ccc[nH]1)c1ccccn1 ZINC000802040139 586286906 /nfs/dbraw/zinc/28/69/06/586286906.db2.gz HXYBFFSDLVAXFZ-NNNHXZLVSA-N -1 3 237.262 2.299 20 30 BEEDHM C#C[C@H](NC(=O)c1cc([O-])cs1)C(C)(C)C ZINC000807881300 586450604 /nfs/dbraw/zinc/45/06/04/586450604.db2.gz GDOQUJLQAHSOEN-JTQLQIEISA-N -1 3 237.324 2.231 20 30 BEEDHM N#Cc1ccc(C(=O)O[C@@H]2CCCC[C@H]2F)[n-]1 ZINC000810891377 586549627 /nfs/dbraw/zinc/54/96/27/586549627.db2.gz OGAXAIFNSYJYNG-MWLCHTKSSA-N -1 3 236.246 2.324 20 30 BEEDHM N#Cc1cc([O-])cc(C(=O)OCCC2CC2)c1 ZINC000811183946 586556792 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/nfs/dbraw/zinc/23/74/06/1170237406.db2.gz DVOJMAKPOWVJJO-QMMMGPOBSA-N -1 3 245.311 2.261 20 30 BEEDHM C=C[C@H]1CCCCN1Cc1c[nH]c(C(=O)[O-])c1 ZINC001609287205 1170247716 /nfs/dbraw/zinc/24/77/16/1170247716.db2.gz IPMWXXZTAKLFCW-NSHDSACASA-N -1 3 234.299 2.253 20 30 BEEDHM C=C[C@@H]1CCCCN1Cc1c[nH]c(C(=O)[O-])c1 ZINC001609287204 1170248560 /nfs/dbraw/zinc/24/85/60/1170248560.db2.gz IPMWXXZTAKLFCW-LLVKDONJSA-N -1 3 234.299 2.253 20 30 BEEDHM C=CCCCCNC(=O)c1cccc([O-])c1 ZINC000274690249 398163173 /nfs/dbraw/zinc/16/31/73/398163173.db2.gz LFTDSUKGJJIGMU-UHFFFAOYSA-N -1 3 219.284 2.478 20 30 BEEDHM C=C[C@@](C)(CC)C(=O)Nc1ncccc1[O-] ZINC000189201731 187229246 /nfs/dbraw/zinc/22/92/46/187229246.db2.gz JXQKSPJIANOGCO-LBPRGKRZSA-N -1 3 220.272 2.328 20 30 BEEDHM CC#CCCOc1ccc2c([O-])coc2c1C ZINC000634560613 362049464 /nfs/dbraw/zinc/04/94/64/362049464.db2.gz QGMPIESGPXAVLZ-UHFFFAOYSA-N -1 3 230.263 2.362 20 30 BEEDHM C#C[C@@H](C)[N-]C(=O)C(F)(F)c1ccc(C)cc1 ZINC000274703856 187237877 /nfs/dbraw/zinc/23/78/77/187237877.db2.gz WTPYMTRLVWHSMC-SNVBAGLBSA-N -1 3 237.249 2.225 20 30 BEEDHM CC#CCCSc1n[n-]c(-c2ccccn2)n1 ZINC000155298653 259353664 /nfs/dbraw/zinc/35/36/64/259353664.db2.gz YBYNHHACJHGLBU-UHFFFAOYSA-N -1 3 244.323 2.372 20 30 BEEDHM CCc1cc(C(=O)N[C@@H](C#N)C(C)C)ccc1[O-] ZINC000291618155 136288858 /nfs/dbraw/zinc/28/88/58/136288858.db2.gz YUSCOHPQPBNJML-LBPRGKRZSA-N -1 3 246.310 2.233 20 30 BEEDHM C=CCCC(=O)Nc1ccc([O-])cc1F ZINC000082879347 343469560 /nfs/dbraw/zinc/46/95/60/343469560.db2.gz KULLIQRQOJZAGL-UHFFFAOYSA-N -1 3 209.220 2.436 20 30 BEEDHM C/C(=C\C(=O)[O-])CN(C)Cc1cccc(C#N)c1 ZINC000104277633 187292261 /nfs/dbraw/zinc/29/22/61/187292261.db2.gz LRERFLLZTKALEX-IZZDOVSWSA-N -1 3 244.294 2.021 20 30 BEEDHM CC(C)(C#N)C(=O)Nc1cc(F)ccc1[O-] ZINC000174894659 534974919 /nfs/dbraw/zinc/97/49/19/534974919.db2.gz LDBJMRBKXNFBSX-UHFFFAOYSA-N -1 3 222.219 2.020 20 30 BEEDHM C=CCC(CC=C)C(=O)[N-]OCC(C)C ZINC000153295520 187294668 /nfs/dbraw/zinc/29/46/68/187294668.db2.gz IMEWBYAUAMGJKV-UHFFFAOYSA-N -1 3 211.305 2.459 20 30 BEEDHM CC(=O)[N-]OCc1ccccc1C(C)(C)C#N ZINC000134118422 345399864 /nfs/dbraw/zinc/39/98/64/345399864.db2.gz DSXNQOIENVHEFI-UHFFFAOYSA-N -1 3 232.283 2.055 20 30 BEEDHM CCc1cccc(C(=O)N(C)[C@@H](C)CC#N)c1[O-] ZINC000094107593 345680309 /nfs/dbraw/zinc/68/03/09/345680309.db2.gz SENMYUJQIWPJHP-JTQLQIEISA-N -1 3 246.310 2.329 20 30 BEEDHM CCO[N-]C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000184434949 347163112 /nfs/dbraw/zinc/16/31/12/347163112.db2.gz KSHLONPWHQDRDM-SECBINFHSA-N -1 3 249.270 2.050 20 30 BEEDHM C=C(C)c1ccc(S([O-])=CC(=O)OC)cc1 ZINC000592989437 347837799 /nfs/dbraw/zinc/83/77/99/347837799.db2.gz ORLULXNODZTMOK-MRXNPFEDSA-N -1 3 238.308 2.000 20 30 BEEDHM CCC(C#N)=C([O-])N=c1cc(C)n([C@H](C)CC)[nH]1 ZINC000593587899 347914195 /nfs/dbraw/zinc/91/41/95/347914195.db2.gz IVWZTHUMMJRNQT-KOLCDFICSA-N -1 3 248.330 2.073 20 30 BEEDHM Cc1ccc([O-])c(CNCC2(C#N)CCCC2)n1 ZINC000593652531 347921676 /nfs/dbraw/zinc/92/16/76/347921676.db2.gz BIRCPUVZJRHHTL-UHFFFAOYSA-N -1 3 245.326 2.269 20 30 BEEDHM C[C@H](CC#N)c1nc(-c2ccc([O-])cc2)no1 ZINC000594730933 348113424 /nfs/dbraw/zinc/11/34/24/348113424.db2.gz YPNNKCMCNOLAGP-MRVPVSSYSA-N -1 3 229.239 2.459 20 30 BEEDHM Cc1cccc([O-])c1NC(=O)[C@H](C)CC#N ZINC000597469028 348743587 /nfs/dbraw/zinc/74/35/87/348743587.db2.gz XTCQZZRYGOIYGJ-SECBINFHSA-N -1 3 218.256 2.189 20 30 BEEDHM CCN(C(=O)c1ccc(C)cc1[O-])[C@H](C)C#N ZINC000598357141 348941605 /nfs/dbraw/zinc/94/16/05/348941605.db2.gz FHDCVVPTENVMSA-SNVBAGLBSA-N -1 3 232.283 2.075 20 30 BEEDHM Cc1cccc(C(=O)N2CC[C@](C)(C#N)C2)c1[O-] ZINC000598409151 348965133 /nfs/dbraw/zinc/96/51/33/348965133.db2.gz FQBGJARBALATHV-CQSZACIVSA-N -1 3 244.294 2.076 20 30 BEEDHM CC[C@H](C)[C@H](NCc1ccccc1C#N)C(=O)[O-] ZINC000598680311 349021785 /nfs/dbraw/zinc/02/17/85/349021785.db2.gz WIDPCENAKKKYNN-GWCFXTLKSA-N -1 3 246.310 2.147 20 30 BEEDHM CN(C(=O)c1ccccc1[O-])[C@H]1CCC[C@H]1C#N ZINC000601824695 349355491 /nfs/dbraw/zinc/35/54/91/349355491.db2.gz WYUOOUYDVQGBKN-JQWIXIFHSA-N -1 3 244.294 2.156 20 30 BEEDHM CCc1[n-]n(C[C@@H](C)C#N)c(=O)c1C(C)C ZINC000601932463 349385948 /nfs/dbraw/zinc/38/59/48/349385948.db2.gz KGGCVQXOWDWOGV-ONGXEEELSA-N -1 3 221.304 2.026 20 30 BEEDHM CCc1[n-]n(C[C@@H](C)C#N)c(=O)c1C(C)C ZINC000601932457 349386273 /nfs/dbraw/zinc/38/62/73/349386273.db2.gz KGGCVQXOWDWOGV-GXSJLCMTSA-N -1 3 221.304 2.026 20 30 BEEDHM Cc1cc(C(=O)NC2(C#N)CCCC2)ccc1[O-] ZINC000226996262 350471331 /nfs/dbraw/zinc/47/13/31/350471331.db2.gz RQXMOWHINVVSOG-UHFFFAOYSA-N -1 3 244.294 2.267 20 30 BEEDHM C=CCCOCCNC(=O)c1c(C)cccc1[O-] ZINC000626273954 350562424 /nfs/dbraw/zinc/56/24/24/350562424.db2.gz OIFYJRJREKMFIF-UHFFFAOYSA-N -1 3 249.310 2.023 20 30 BEEDHM N#CC[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000397728700 350968783 /nfs/dbraw/zinc/96/87/83/350968783.db2.gz VVPSAJUKKBBXSL-NSHDSACASA-N -1 3 244.294 2.158 20 30 BEEDHM CCc1cc(C(=O)NC2(C#N)CCC2)ccc1[O-] ZINC000291425464 352275310 /nfs/dbraw/zinc/27/53/10/352275310.db2.gz DPZOZMKRNPPCQS-UHFFFAOYSA-N -1 3 244.294 2.131 20 30 BEEDHM C=C(Cl)COc1ccc2c([O-])coc2c1 ZINC000057524141 353390834 /nfs/dbraw/zinc/39/08/34/353390834.db2.gz MGJBNDWLOLUPFG-UHFFFAOYSA-N -1 3 224.643 2.393 20 30 BEEDHM C=C(C)CCNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412378674 191281153 /nfs/dbraw/zinc/28/11/53/191281153.db2.gz DSTHKKSTJOZVEM-UHFFFAOYSA-N -1 3 247.294 2.291 20 30 BEEDHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)CC#N)c1 ZINC000094107622 353509130 /nfs/dbraw/zinc/50/91/30/353509130.db2.gz VUVSCHKXCOXBMJ-SNVBAGLBSA-N -1 3 246.310 2.329 20 30 BEEDHM C#CCO[N-]C(=O)CC[C@@H](C)c1ccccc1 ZINC000291179744 353680328 /nfs/dbraw/zinc/68/03/28/353680328.db2.gz FNVQSZLWCHNHIX-GFCCVEGCSA-N -1 3 231.295 2.251 20 30 BEEDHM C=CCC(C)(C)C(=O)Nc1ncccc1[O-] ZINC000293562024 353748928 /nfs/dbraw/zinc/74/89/28/353748928.db2.gz UXCFBDJIUMXQKT-UHFFFAOYSA-N -1 3 220.272 2.328 20 30 BEEDHM C=CCN(C(=O)c1cccc([O-])c1)[C@@H](C)COC ZINC000617573780 356139318 /nfs/dbraw/zinc/13/93/18/356139318.db2.gz LDXBUFUVOGDXET-NSHDSACASA-N -1 3 249.310 2.055 20 30 BEEDHM CC1(NC(=O)c2csc(=O)[n-]2)CCCC1 ZINC000329892642 356140558 /nfs/dbraw/zinc/14/05/58/356140558.db2.gz AJCHXBPWNKOZIX-UHFFFAOYSA-N -1 3 226.301 2.486 20 30 BEEDHM C=C[C@](C)(CC)C(=O)NCc1ncccc1[O-] ZINC000352509963 134147339 /nfs/dbraw/zinc/14/73/39/134147339.db2.gz QXWCRSNGDLHFOB-CYBMUJFWSA-N -1 3 234.299 2.006 20 30 BEEDHM CCC[C@H](C#N)NC(=O)c1cc(C)ccc1[O-] ZINC000040352464 358235135 /nfs/dbraw/zinc/23/51/35/358235135.db2.gz KTTMKZJFUQLNEM-SNVBAGLBSA-N -1 3 232.283 2.123 20 30 BEEDHM C[C@@H]1C[C@@]1(C#N)c1nc(-c2ccc([O-])cc2)no1 ZINC000351077997 366404506 /nfs/dbraw/zinc/40/45/06/366404506.db2.gz MEJWQNYSYCMQBC-OQPBUACISA-N -1 3 241.250 2.243 20 30 BEEDHM C=CCN(C)C(=O)c1cc(SC)ccc1[O-] ZINC000613663856 363614441 /nfs/dbraw/zinc/61/44/41/363614441.db2.gz BXUSFPHHCFUIJZ-UHFFFAOYSA-N -1 3 237.324 2.372 20 30 BEEDHM Cc1cccc(NC(=O)c2ccc(C#N)[nH]2)c1[O-] ZINC000611157017 358900376 /nfs/dbraw/zinc/90/03/76/358900376.db2.gz OTAVNGAIMNHHNY-UHFFFAOYSA-N -1 3 241.250 2.153 20 30 BEEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1C ZINC000088475504 359956645 /nfs/dbraw/zinc/95/66/45/359956645.db2.gz UTKCJBKRXNAFCB-JTQLQIEISA-N -1 3 238.312 2.039 20 30 BEEDHM C=CCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184784731 219872381 /nfs/dbraw/zinc/87/23/81/219872381.db2.gz TTXHMPAHYDURJF-UHFFFAOYSA-N -1 3 231.295 2.187 20 30 BEEDHM C=CCN(C)C(=O)c1cc(CC)ccc1[O-] ZINC000154188541 201264785 /nfs/dbraw/zinc/26/47/85/201264785.db2.gz PDVFAZSEZZHKIM-UHFFFAOYSA-N -1 3 219.284 2.213 20 30 BEEDHM CCn1c(SCC(C)(C)CC#N)n[n-]c1=O ZINC000573506939 364851479 /nfs/dbraw/zinc/85/14/79/364851479.db2.gz REPAFADTAAXLQE-UHFFFAOYSA-N -1 3 240.332 2.036 20 30 BEEDHM C=CCCNC(=O)c1cccc(C)c1[O-] ZINC000161986143 371597946 /nfs/dbraw/zinc/59/79/46/371597946.db2.gz XTXPILILQMJBOB-UHFFFAOYSA-N -1 3 205.257 2.007 20 30 BEEDHM O=C(N[O-])C1c2ccccc2Oc2ccccc21 ZINC000045321222 182279803 /nfs/dbraw/zinc/27/98/03/182279803.db2.gz 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CSIFFAPEWHIJEQ-UHFFFAOYSA-N -1 3 241.250 2.288 20 30 BEEDHM Cc1ncccc1C([O-])=C(C#N)c1ccccn1 ZINC000178317107 385226014 /nfs/dbraw/zinc/22/60/14/385226014.db2.gz BWTFZZHTKMIPGW-LBPRGKRZSA-N -1 3 237.262 2.275 20 30 BEEDHM Cc1ncccc1C([O-])=C(C#N)c1ccccn1 ZINC000178317122 385226643 /nfs/dbraw/zinc/22/66/43/385226643.db2.gz BWTFZZHTKMIPGW-GFCCVEGCSA-N -1 3 237.262 2.275 20 30 BEEDHM Cc1cccc(C(=O)N[C@@H](C#N)C(C)(C)C)c1[O-] ZINC000155134377 385377826 /nfs/dbraw/zinc/37/78/26/385377826.db2.gz YUQGMEDWUOZKFB-NSHDSACASA-N -1 3 246.310 2.369 20 30 BEEDHM C[C@H](CC#N)C(=O)N1CCCc2cccc([O-])c21 ZINC000597457449 385676294 /nfs/dbraw/zinc/67/62/94/385676294.db2.gz POXVIAKAORGRDK-SNVBAGLBSA-N -1 3 244.294 2.221 20 30 BEEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000188811155 387105890 /nfs/dbraw/zinc/10/58/90/387105890.db2.gz UGDSDPOOTGXYFS-SNVBAGLBSA-N -1 3 243.328 2.303 20 30 BEEDHM Cc1csc(C(C#N)=C([O-])c2cccn2C)n1 ZINC000073976744 387127435 /nfs/dbraw/zinc/12/74/35/387127435.db2.gz 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C=CCO[N-]C(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC000839789309 585342210 /nfs/dbraw/zinc/34/22/10/585342210.db2.gz XSZOIQHTBHJHNG-NWDGAFQWSA-N -1 3 247.294 2.033 20 30 BEEDHM C=CCO[N-]C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000839789105 585342329 /nfs/dbraw/zinc/34/23/29/585342329.db2.gz QLFZRDXVJFXIKY-NEPJUHHUSA-N -1 3 217.268 2.024 20 30 BEEDHM C[C@H]1C[C@@H]1C=NNc1nc(=O)c2ccccc2[n-]1 ZINC000758377951 585355209 /nfs/dbraw/zinc/35/52/09/585355209.db2.gz HCNUTZHTTRRPPY-DTWKUNHWSA-N -1 3 242.282 2.389 20 30 BEEDHM C=C(C)COC(=O)c1ccc([O-])cc1C ZINC000758512796 585356449 /nfs/dbraw/zinc/35/64/49/585356449.db2.gz DDGJACNVMBUJDX-UHFFFAOYSA-N -1 3 206.241 2.434 20 30 BEEDHM CCO[C@@H]1COCC[C@@H]1/N=C/c1ccccc1[O-] ZINC000758816433 585360058 /nfs/dbraw/zinc/36/00/58/585360058.db2.gz REOJLDYUYLGSDE-LJDHDPBFSA-N -1 3 249.310 2.005 20 30 BEEDHM COC1(COC(=O)c2ccc(C#N)[n-]2)CCCC1 ZINC000759876238 585382186 /nfs/dbraw/zinc/38/21/86/585382186.db2.gz SNGGQFAGRAUETI-UHFFFAOYSA-N -1 3 248.282 2.002 20 30 BEEDHM CCO[N-]C(=O)Nc1ccc(C#N)cc1Cl ZINC000759994464 585384063 /nfs/dbraw/zinc/38/40/63/585384063.db2.gz SZUKYWSRJVFUTC-UHFFFAOYSA-N -1 3 239.662 2.285 20 30 BEEDHM C#CCCc1noc(-c2ccccc2[O-])n1 ZINC000762011099 585424084 /nfs/dbraw/zinc/42/40/84/585424084.db2.gz FOYDYHXCNXAULI-UHFFFAOYSA-N -1 3 214.224 2.008 20 30 BEEDHM C#CCCCOC(=O)c1ccc([O-])cc1C ZINC000766915696 585511547 /nfs/dbraw/zinc/51/15/47/585511547.db2.gz CNTBXRGEMHDPNL-UHFFFAOYSA-N -1 3 218.252 2.271 20 30 BEEDHM CCOc1ccc(CN(C)C[C@@H](C)C#N)c([O-])c1 ZINC000768876631 585545334 /nfs/dbraw/zinc/54/53/34/585545334.db2.gz FHLVIHXMXGHIMG-NSHDSACASA-N -1 3 248.326 2.382 20 30 BEEDHM CCOC(=O)C1(C/N=C/c2ccccc2[O-])CC1 ZINC000769718142 585562550 /nfs/dbraw/zinc/56/25/50/585562550.db2.gz HRAIWOXASIUKHF-OQLLNIDSSA-N -1 3 247.294 2.154 20 30 BEEDHM Cc1ccc(N=NC(C)c2sccc2[O-])nn1 ZINC000769780519 585563261 /nfs/dbraw/zinc/56/32/61/585563261.db2.gz XKCBMQFKIITLII-UHFFFAOYSA-N -1 3 248.311 2.388 20 30 BEEDHM [O-]c1ccc(C=NNCC(F)(F)F)cc1F ZINC000769808675 585564313 /nfs/dbraw/zinc/56/43/13/585564313.db2.gz SWXHHEIRJLPOSG-UHFFFAOYSA-N -1 3 236.168 2.017 20 30 BEEDHM C#CC(C)(C)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000769857507 585565170 /nfs/dbraw/zinc/56/51/70/585565170.db2.gz MMQNYPPAIUWXBR-UHFFFAOYSA-N -1 3 231.295 2.151 20 30 BEEDHM C=C(C)CO[N-]C(=O)CCOc1ccccc1 ZINC000771652278 585598554 /nfs/dbraw/zinc/59/85/54/585598554.db2.gz HPAXGTDMCSYODF-UHFFFAOYSA-N -1 3 235.283 2.079 20 30 BEEDHM C#C[C@@H](C)/N=C/c1ccc(OCC)cc1[O-] ZINC000773904306 585646057 /nfs/dbraw/zinc/64/60/57/585646057.db2.gz FCHUPFPPSMAERB-GMROUXNLSA-N -1 3 217.268 2.232 20 30 BEEDHM C#C[C@@H](C)/N=C\c1ccc(OCC)cc1[O-] ZINC000773904301 585646134 /nfs/dbraw/zinc/64/61/34/585646134.db2.gz FCHUPFPPSMAERB-AHEVQNHNSA-N -1 3 217.268 2.232 20 30 BEEDHM CCCC(CCC)=NN=c1cc[n-]n1C ZINC000774409098 585657529 /nfs/dbraw/zinc/65/75/29/585657529.db2.gz FLYBPGWSDAKNLD-UHFFFAOYSA-N -1 3 208.309 2.210 20 30 BEEDHM CC[C@H]1CCCCC1=NN=c1cc[n-]n1C ZINC000774408745 585657653 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2.041 20 30 BEEDHM [O-]c1ccccc1/C=N/[C@H]1CCSC1 ZINC000266353355 135148360 /nfs/dbraw/zinc/14/83/60/135148360.db2.gz QAAOQSDNHPSDCW-QVIVLVACSA-N -1 3 207.298 2.317 20 30 BEEDHM [O-]c1ccccc1/C=N/C[C@H]1CCCCO1 ZINC000299213391 135202759 /nfs/dbraw/zinc/20/27/59/135202759.db2.gz KQSLAFZVHRIRCR-ZMTLZGASSA-N -1 3 219.284 2.380 20 30 BEEDHM C=CCN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000121552918 135224220 /nfs/dbraw/zinc/22/42/20/135224220.db2.gz HWGUMQGDJJUNOL-UHFFFAOYSA-N -1 3 237.274 2.352 20 30 BEEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(C)c1 ZINC000088475484 135521493 /nfs/dbraw/zinc/52/14/93/135521493.db2.gz FMJXTEMYYIKAFU-LLVKDONJSA-N -1 3 238.312 2.039 20 30 BEEDHM C=CCCN(C)C(=O)c1ccc(C)cc1[O-] ZINC000276155350 166253851 /nfs/dbraw/zinc/25/38/51/166253851.db2.gz PSVPZFJUYMSPHO-UHFFFAOYSA-N -1 3 219.284 2.349 20 30 BEEDHM C=CCCN(C)C(=O)c1ccc([O-])c(C)c1 ZINC000276286809 166255053 /nfs/dbraw/zinc/25/50/53/166255053.db2.gz SPYKPOAVRWTGHU-UHFFFAOYSA-N -1 3 219.284 2.349 20 30 BEEDHM C=CCN(C)C(=O)c1ccc(CC)cc1[O-] ZINC000276233371 166321917 /nfs/dbraw/zinc/32/19/17/166321917.db2.gz NKDIGDOWBGOPGF-UHFFFAOYSA-N -1 3 219.284 2.213 20 30 BEEDHM CCN(C[C@H](C)C#N)C(=O)c1ccc(C)cc1[O-] ZINC000044413281 411497732 /nfs/dbraw/zinc/49/77/32/411497732.db2.gz QHUCPLWRLKGMMP-LLVKDONJSA-N -1 3 246.310 2.322 20 30 BEEDHM C=C[C@@H](C)NC(=O)c1cccc(CC)c1[O-] ZINC000675041570 487666481 /nfs/dbraw/zinc/66/64/81/487666481.db2.gz QUOGKWGZFZKEDX-SECBINFHSA-N -1 3 219.284 2.259 20 30 BEEDHM CCCCN([O-])C(=O)[C@@H](C)C(F)(F)F ZINC000904210700 584848330 /nfs/dbraw/zinc/84/83/30/584848330.db2.gz XWYAINSWGAMRFL-ZCFIWIBFSA-N -1 3 213.199 2.203 20 30 BEEDHM CCCCCCN([O-])C(=O)[C@@H](OC)C(C)C ZINC000904203908 584851409 /nfs/dbraw/zinc/85/14/09/584851409.db2.gz AHJAMWSYTYEKGA-NSHDSACASA-N -1 3 231.336 2.456 20 30 BEEDHM C=C(C)CO[N-]C(=O)CC1CC(F)(F)C1 ZINC000846534686 588270856 /nfs/dbraw/zinc/27/08/56/588270856.db2.gz YGKMMIDGCZEWOA-UHFFFAOYSA-N -1 3 219.231 2.046 20 30 BEEDHM O=C(N[O-])c1cc2cccc(Cl)c2o1 ZINC000671995030 487916239 /nfs/dbraw/zinc/91/62/39/487916239.db2.gz CRPMSCYJEDTGIG-UHFFFAOYSA-N -1 3 211.604 2.205 20 30 BEEDHM C[C@H](C(=O)N[O-])c1cc2ccccc2o1 ZINC000671995655 487921125 /nfs/dbraw/zinc/92/11/25/487921125.db2.gz IKQQPXRHHREOFG-ZETCQYMHSA-N -1 3 205.213 2.042 20 30 BEEDHM Cc1cc(Cl)ccc1C1(C(=O)N[O-])CC1 ZINC000671995874 487924354 /nfs/dbraw/zinc/92/43/54/487924354.db2.gz LSKIOYZRSLNGLS-UHFFFAOYSA-N -1 3 225.675 2.185 20 30 BEEDHM CC1(C)C[C@@]2(C[C@@H]2C(=O)N[O-])c2ccccc2O1 ZINC000671996667 487929550 /nfs/dbraw/zinc/92/95/50/487929550.db2.gz UWHRXZJTOKGUJD-YGRLFVJLSA-N -1 3 247.294 2.011 20 30 BEEDHM CC[C@@](C)(C#N)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000536686636 323201372 /nfs/dbraw/zinc/20/13/72/323201372.db2.gz KTDKLDXLWVSACP-AWEZNQCLSA-N -1 3 246.310 2.431 20 30 BEEDHM CCc1cccc(C(=O)N[C@@H](CC)CC#N)c1[O-] ZINC000546569604 325287217 /nfs/dbraw/zinc/28/72/17/325287217.db2.gz KCZIIGQCISJCRW-NSHDSACASA-N -1 3 246.310 2.377 20 30 BEEDHM CCc1cccc(C(=O)N(CC)CCC#N)c1[O-] ZINC000133418100 325293571 /nfs/dbraw/zinc/29/35/71/325293571.db2.gz PXKZXXIMRBNPJM-UHFFFAOYSA-N -1 3 246.310 2.330 20 30 BEEDHM C=CC[C@@H](CC)NC(=O)c1cccc2nn[n-]c21 ZINC000546694595 325302168 /nfs/dbraw/zinc/30/21/68/325302168.db2.gz XHCWFABREATCHR-SECBINFHSA-N -1 3 244.298 2.042 20 30 BEEDHM C=CC[C@@H](CC)NC(=O)c1cccc2[n-]nnc21 ZINC000546694595 325302170 /nfs/dbraw/zinc/30/21/70/325302170.db2.gz XHCWFABREATCHR-SECBINFHSA-N -1 3 244.298 2.042 20 30 BEEDHM C=CC[C@@H](CC)NC(=O)c1cccc2n[n-]nc21 ZINC000546694595 325302171 /nfs/dbraw/zinc/30/21/71/325302171.db2.gz XHCWFABREATCHR-SECBINFHSA-N -1 3 244.298 2.042 20 30 BEEDHM CC#CC[C@@H](CC)Oc1cc(=O)[n-]c(CC)n1 ZINC001226474771 974919549 /nfs/dbraw/zinc/91/95/49/974919549.db2.gz GWTATLVBFKIISQ-SNVBAGLBSA-N -1 3 234.299 2.315 20 30 BEEDHM CC[C@H](C(=O)N[O-])c1ccc(Cl)cc1 ZINC000671995596 488234074 /nfs/dbraw/zinc/23/40/74/488234074.db2.gz HNZBFRPVPYOCTB-VIFPVBQESA-N -1 3 213.664 2.339 20 30 BEEDHM C=CCCS(=O)(=O)[N-]c1cccc(C)c1O ZINC000120275601 490060077 /nfs/dbraw/zinc/06/00/77/490060077.db2.gz WBITYUMKPDCMFZ-UHFFFAOYSA-N -1 3 241.312 2.018 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)C[C@H]1CCO[C@@H](CC)C1 ZINC000846550070 582658109 /nfs/dbraw/zinc/65/81/09/582658109.db2.gz RBTVBSMPEKFZBD-SRVKXCTJSA-N -1 3 241.331 2.204 20 30 BEEDHM C=C[C@@H](C)NC(=O)c1ccc([O-])c(CC)c1 ZINC000362898056 534499960 /nfs/dbraw/zinc/49/99/60/534499960.db2.gz YRYIBBGHFUPKGR-SECBINFHSA-N -1 3 219.284 2.259 20 30 BEEDHM C=C[C@@H](CC(=O)[N-]OC)c1ccccc1 ZINC000129574050 534514403 /nfs/dbraw/zinc/51/44/03/534514403.db2.gz MXDMRCZUUPMJPV-JTQLQIEISA-N -1 3 205.257 2.024 20 30 BEEDHM C=CCC(C)(C)C(=O)NCc1ncccc1[O-] ZINC000352209874 534540927 /nfs/dbraw/zinc/54/09/27/534540927.db2.gz DDCKZEVUALQDCC-UHFFFAOYSA-N -1 3 234.299 2.006 20 30 BEEDHM C=CCC(C)(C)CNC(=O)c1ccc(O)cc1[O-] ZINC000293831708 534549452 /nfs/dbraw/zinc/54/94/52/534549452.db2.gz SPRJYHKGTJGPPO-UHFFFAOYSA-N -1 3 249.310 2.430 20 30 BEEDHM C=CCC(F)(F)C(=O)[N-]C1(C#N)CCCC1 ZINC000293122983 534574259 /nfs/dbraw/zinc/57/42/59/534574259.db2.gz QJQLITPWZJRQNQ-UHFFFAOYSA-N -1 3 228.242 2.150 20 30 BEEDHM C=C(C)CCSc1nc2nncc-2c(O)[n-]1 ZINC000505643381 526463870 /nfs/dbraw/zinc/46/38/70/526463870.db2.gz ZELYQNFQEPGCGL-UHFFFAOYSA-N -1 3 236.300 2.117 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)/C=C/c1cnc(C)s1 ZINC000493801405 527418720 /nfs/dbraw/zinc/41/87/20/527418720.db2.gz GLFBUZBKEUOXNT-HQZHTGGTSA-N -1 3 238.312 2.087 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)/C=C\c1cnc(C)s1 ZINC000493801408 527573048 /nfs/dbraw/zinc/57/30/48/527573048.db2.gz GLFBUZBKEUOXNT-SLGIHZDVSA-N -1 3 238.312 2.087 20 30 BEEDHM C=C[C@H]1CCCCN1c1cc(=O)[n-]c(C)n1 ZINC000893550185 583162821 /nfs/dbraw/zinc/16/28/21/583162821.db2.gz BYHVUFJNWTVQNL-JTQLQIEISA-N -1 3 219.288 2.036 20 30 BEEDHM C#C[C@@H](/N=C\c1ccccc1[O-])C1CCOCC1 ZINC000852998849 588715091 /nfs/dbraw/zinc/71/50/91/588715091.db2.gz SESZQBANQXZKQM-VQCBNXJZSA-N -1 3 243.306 2.240 20 30 BEEDHM Cc1cc([O-])c(C=NNC2CC2)cc1Cl ZINC000853333983 588734249 /nfs/dbraw/zinc/73/42/49/588734249.db2.gz XUKFQOLNPJKCBK-UHFFFAOYSA-N -1 3 224.691 2.440 20 30 BEEDHM C=C(Cl)CO[N-]C(=O)Cc1ccc(C)cc1 ZINC000853662494 588753924 /nfs/dbraw/zinc/75/39/24/588753924.db2.gz HPLJPBQXPUTPLK-UHFFFAOYSA-N -1 3 239.702 2.338 20 30 BEEDHM C=CC[C@H]1CCN1C(=O)c1ccc(C)cc1[O-] ZINC000890555744 582475813 /nfs/dbraw/zinc/47/58/13/582475813.db2.gz CGFCLDKHGMCIIP-NSHDSACASA-N -1 3 231.295 2.491 20 30 BEEDHM C=CC[C@H]1CCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000890557186 582476836 /nfs/dbraw/zinc/47/68/36/582476836.db2.gz VMJNHXVYFVUEHW-NSHDSACASA-N -1 3 247.294 2.191 20 30 BEEDHM C#CCO[N-]C(=O)[C@@H](C)CSc1ccccc1 ZINC000855604060 588841272 /nfs/dbraw/zinc/84/12/72/588841272.db2.gz YAFAQMZCYHPMOV-NSHDSACASA-N -1 3 249.335 2.096 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)C[C@H]1CCC[C@@H]1C ZINC000846550865 582658739 /nfs/dbraw/zinc/65/87/39/582658739.db2.gz VDPZHPYIGQMFPR-GARJFASQSA-N -1 3 211.305 2.435 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H]1CCC[C@H]1C ZINC000846550868 582658913 /nfs/dbraw/zinc/65/89/13/582658913.db2.gz VDPZHPYIGQMFPR-VWYCJHECSA-N -1 3 211.305 2.435 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CC12CCSCC2 ZINC000846554218 582660202 /nfs/dbraw/zinc/66/02/02/582660202.db2.gz ISEMKFMDKDTJFN-ZJUUUORDSA-N -1 3 241.356 2.142 20 30 BEEDHM N#CCN(Cc1ccc([O-])c(F)c1)C1CC1 ZINC000891795584 582722856 /nfs/dbraw/zinc/72/28/56/582722856.db2.gz RUZBZCLDTPEMTQ-UHFFFAOYSA-N -1 3 220.247 2.019 20 30 BEEDHM C=CCCO[N-]C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000856027454 588855413 /nfs/dbraw/zinc/85/54/13/588855413.db2.gz NBTXXTKYZAOBHO-GRYCIOLGSA-N -1 3 221.300 2.213 20 30 BEEDHM C=CCCO[N-]C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000856027359 588855444 /nfs/dbraw/zinc/85/54/44/588855444.db2.gz JFZQPOFNLLVAPE-GARJFASQSA-N -1 3 209.289 2.047 20 30 BEEDHM C=CCCO[N-]C(=O)CC1(CSC)CC1 ZINC000856028268 588855822 /nfs/dbraw/zinc/85/58/22/588855822.db2.gz PTEHWTYQBKSUBN-UHFFFAOYSA-N -1 3 229.345 2.144 20 30 BEEDHM C=CCCO[N-]C(=O)CCc1ccccc1OC ZINC000856028274 588855925 /nfs/dbraw/zinc/85/59/25/588855925.db2.gz DYQDHKHPOUFEPW-UHFFFAOYSA-N -1 3 249.310 2.252 20 30 BEEDHM C=CCCO[N-]C(=O)Cc1ccc(CC)cc1 ZINC000856032671 588856967 /nfs/dbraw/zinc/85/69/67/588856967.db2.gz SAADIOGTEAHHCB-UHFFFAOYSA-N -1 3 233.311 2.415 20 30 BEEDHM CC(C)(C)CC(=O)[N-]OCC1(CC#N)CC1 ZINC000853706185 583062657 /nfs/dbraw/zinc/06/26/57/583062657.db2.gz HKBYSQPLJPJGSJ-UHFFFAOYSA-N -1 3 224.304 2.164 20 30 BEEDHM CCC1(C(=O)N[O-])CCC(F)(F)CC1 ZINC000856846698 588879195 /nfs/dbraw/zinc/87/91/95/588879195.db2.gz DHFLTXOZOJAPHW-UHFFFAOYSA-N -1 3 207.220 2.098 20 30 BEEDHM N#C[C@H](NC(=O)c1ccccc1[O-])C1CCCC1 ZINC000893705257 583205393 /nfs/dbraw/zinc/20/53/93/583205393.db2.gz RGAPTPDMTOQXMM-LBPRGKRZSA-N -1 3 244.294 2.204 20 30 BEEDHM C=CCN(CCC#N)Cc1cc(F)ccc1[O-] ZINC000814171435 583342262 /nfs/dbraw/zinc/34/22/62/583342262.db2.gz OSDJKIJKPHBYKW-UHFFFAOYSA-N -1 3 234.274 2.433 20 30 BEEDHM C#CCO[N-]C(=O)[C@H](CCCC)C(C)C 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CC(=NNc1cnn(C)c1)c1ccc(C)cc1[O-] ZINC000761867292 585421356 /nfs/dbraw/zinc/42/13/56/585421356.db2.gz PSYPOMLYRCSPMW-UHFFFAOYSA-N -1 3 244.298 2.270 20 30 BEEDHM C#CCOCCOC(=O)c1cc2ccsc2[n-]1 ZINC000762723847 585436480 /nfs/dbraw/zinc/43/64/80/585436480.db2.gz RYCSIJCPJFVRRX-UHFFFAOYSA-N -1 3 249.291 2.036 20 30 BEEDHM CC#CCCOC(=O)c1ccc([O-])cc1C ZINC000765494579 585488315 /nfs/dbraw/zinc/48/83/15/585488315.db2.gz CFPNEXRIHGYNJB-UHFFFAOYSA-N -1 3 218.252 2.271 20 30 BEEDHM CC#CCCOC(=O)c1ccc([O-])c(C)c1 ZINC000765516749 585489046 /nfs/dbraw/zinc/48/90/46/585489046.db2.gz WWMQKBPNKUFACZ-UHFFFAOYSA-N -1 3 218.252 2.271 20 30 BEEDHM C#CCCCOC(=O)c1ccc(F)cc1[O-] ZINC000766904055 585510982 /nfs/dbraw/zinc/51/09/82/585510982.db2.gz VLEOSLRACUMVMG-UHFFFAOYSA-N -1 3 222.215 2.102 20 30 BEEDHM C=C(C)COC(=O)c1c([O-])cccc1F ZINC000772577148 585618301 /nfs/dbraw/zinc/61/83/01/585618301.db2.gz DOIWBBLHOVTLSJ-UHFFFAOYSA-N -1 3 210.204 2.264 20 30 BEEDHM CC#CCCOC(=O)c1c([O-])cccc1F ZINC000772578550 585618407 /nfs/dbraw/zinc/61/84/07/585618407.db2.gz LYASPSTXFPHUHT-UHFFFAOYSA-N -1 3 222.215 2.102 20 30 BEEDHM Cc1cc(C(=O)/C=C/c2ccn(C)n2)ccc1[O-] ZINC000773154671 585632816 /nfs/dbraw/zinc/63/28/16/585632816.db2.gz VWZKKQKSJSZORJ-GQCTYLIASA-N -1 3 242.278 2.330 20 30 BEEDHM C#C[C@H](C)/N=C/c1ccc(OCC)cc1[O-] ZINC000773904307 585646241 /nfs/dbraw/zinc/64/62/41/585646241.db2.gz FCHUPFPPSMAERB-RSYJBZMQSA-N -1 3 217.268 2.232 20 30 BEEDHM C[C@H]1CCC(=NN=c2cc[n-]n2C)[C@@H](C)C1 ZINC000774409358 585657538 /nfs/dbraw/zinc/65/75/38/585657538.db2.gz BVDDGEUNPGPBKO-UWVGGRQHSA-N -1 3 220.320 2.066 20 30 BEEDHM C[C@@H]1CCC(=NN=c2cc[n-]n2C)[C@@H](C)C1 ZINC000774409364 585657547 /nfs/dbraw/zinc/65/75/47/585657547.db2.gz BVDDGEUNPGPBKO-ZJUUUORDSA-N -1 3 220.320 2.066 20 30 BEEDHM CC(=NN=c1cc[n-]n1C)c1cc(C)ccc1C ZINC000774409757 585657635 /nfs/dbraw/zinc/65/76/35/585657635.db2.gz IUIRPZYCIHDYGD-UHFFFAOYSA-N -1 3 242.326 2.295 20 30 BEEDHM C[C@@H]1CCC[C@H](C=NN=c2cc[n-]n2C)C1 ZINC000774411339 585657738 /nfs/dbraw/zinc/65/77/38/585657738.db2.gz UDHYFEYYCJEWCF-MNOVXSKESA-N -1 3 220.320 2.066 20 30 BEEDHM CC(C)c1ccc(C=NN=c2cc[n-]n2C)cc1 ZINC000774412488 585657853 /nfs/dbraw/zinc/65/78/53/585657853.db2.gz OWLWMPISTSRQHD-UHFFFAOYSA-N -1 3 242.326 2.411 20 30 BEEDHM C[C@@H]1CC(=NN=c2cc[n-]n2C)CC[C@@H]1C ZINC000774413221 585657901 /nfs/dbraw/zinc/65/79/01/585657901.db2.gz XQSVQMQXHYXQMC-VHSXEESVSA-N -1 3 220.320 2.066 20 30 BEEDHM C[C@H]1CC(=NN=c2cc[n-]n2C)C[C@@H](C)C1 ZINC000774411173 585658018 /nfs/dbraw/zinc/65/80/18/585658018.db2.gz PMOUHDHESMKECT-AOOOYVTPSA-N -1 3 220.320 2.066 20 30 BEEDHM CC(CC1CCCC1)=NN=c1cc[n-]n1C ZINC000774414890 585658222 /nfs/dbraw/zinc/65/82/22/585658222.db2.gz YHSHDMFXIPUHTN-UHFFFAOYSA-N -1 3 220.320 2.210 20 30 BEEDHM CCOCCON=C(C)c1ccc([O-])cc1 ZINC000774417861 585658392 /nfs/dbraw/zinc/65/83/92/585658392.db2.gz OIEXRFNUCPZTEW-UHFFFAOYSA-N -1 3 223.272 2.169 20 30 BEEDHM CCOCCON=Cc1cc(C)ccc1[O-] ZINC000774435759 585658935 /nfs/dbraw/zinc/65/89/35/585658935.db2.gz VQRQBHVDZCXVOD-UHFFFAOYSA-N -1 3 223.272 2.088 20 30 BEEDHM C#C[C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000775381312 585676803 /nfs/dbraw/zinc/67/68/03/585676803.db2.gz GFSCGSLYCLKTAN-JTQLQIEISA-N -1 3 231.295 2.267 20 30 BEEDHM C[C@H](C#N)OC(=O)c1cccc(Cl)c1[O-] ZINC000775934068 585687894 /nfs/dbraw/zinc/68/78/94/585687894.db2.gz TTWDWRZKHXJOMB-ZCFIWIBFSA-N -1 3 225.631 2.114 20 30 BEEDHM N#Cc1cc([O-])cc(C(=O)OC/C=C\Cl)c1 ZINC000776273504 585694485 /nfs/dbraw/zinc/69/44/85/585694485.db2.gz GTMRHAQNBQQTIR-UPHRSURJSA-N -1 3 237.642 2.173 20 30 BEEDHM COC[C@H](C)NN=C(C)c1ccc(C)cc1[O-] ZINC000777903477 585723420 /nfs/dbraw/zinc/72/34/20/585723420.db2.gz SCPWWEBDBOPOSD-JTQLQIEISA-N -1 3 236.315 2.049 20 30 BEEDHM Cc1cc(C(=O)OCCCC#N)ccc1[O-] ZINC000778852112 585741528 /nfs/dbraw/zinc/74/15/28/585741528.db2.gz CHOAXASXPABDOD-UHFFFAOYSA-N -1 3 219.240 2.161 20 30 BEEDHM C[C@H]1CC[C@@H](OC(=O)c2ccc(C#N)[n-]2)C1 ZINC000779262688 585748845 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COc1cccc([O-])c1/C=N\Cc1ccccn1 ZINC000812387985 586575252 /nfs/dbraw/zinc/57/52/52/586575252.db2.gz USCQSRVDBIEMIC-GDNBJRDFSA-N -1 3 242.278 2.415 20 30 BEEDHM C#CCO[N-]C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000812781077 586584220 /nfs/dbraw/zinc/58/42/20/586584220.db2.gz FUJAYAMNHJJXPJ-NWDGAFQWSA-N -1 3 249.697 2.125 20 30 BEEDHM COc1cccc([O-])c1C=NOCC1CC1 ZINC000814243829 586619774 /nfs/dbraw/zinc/61/97/74/586619774.db2.gz PEQBLXFOFSXWJG-UHFFFAOYSA-N -1 3 221.256 2.161 20 30 BEEDHM Cn1[n-]ccc1=NN=C1CC(c2ccccc2)C1 ZINC000814907651 586647898 /nfs/dbraw/zinc/64/78/98/586647898.db2.gz SJILYUHTIVOBGO-UHFFFAOYSA-N -1 3 240.310 2.188 20 30 BEEDHM C=CCCC(CCC)=NN=c1cc[n-]n1C ZINC000814907688 586648044 /nfs/dbraw/zinc/64/80/44/586648044.db2.gz UYEIKKRFNKSFLQ-UHFFFAOYSA-N -1 3 220.320 2.376 20 30 BEEDHM C[C@@H]1CCC[C@@](C#N)([N-]C(=O)C(C)(F)F)C1 ZINC000815638426 586689764 /nfs/dbraw/zinc/68/97/64/586689764.db2.gz VLOHDWNWPCPLDO-LDYMZIIASA-N -1 3 230.258 2.230 20 30 BEEDHM 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N#Cc1ccc(C(=O)O[C@@H]2CCC23CCC3)[n-]1 ZINC000821810590 587139423 /nfs/dbraw/zinc/13/94/23/587139423.db2.gz SJFQQFPGAAMAAB-LLVKDONJSA-N -1 3 230.267 2.376 20 30 BEEDHM CC[C@H](C)CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825060206 587301677 /nfs/dbraw/zinc/30/16/77/587301677.db2.gz OPVVUDGYRQLSIT-VIFPVBQESA-N -1 3 244.302 2.311 20 30 BEEDHM CC[C@H](C)CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825060206 587301679 /nfs/dbraw/zinc/30/16/79/587301679.db2.gz OPVVUDGYRQLSIT-VIFPVBQESA-N -1 3 244.302 2.311 20 30 BEEDHM C/C(=C/CN(C)Cc1ccc(C#N)cc1)C(=O)[O-] ZINC000825729298 587334519 /nfs/dbraw/zinc/33/45/19/587334519.db2.gz CLXQBBRJXVNVQK-XFFZJAGNSA-N -1 3 244.294 2.021 20 30 BEEDHM C=CCC1(C(=O)[N-]OCCOC)CCCCC1 ZINC000826664674 587358350 /nfs/dbraw/zinc/35/83/50/587358350.db2.gz CEWRSCHJUMSYCT-UHFFFAOYSA-N -1 3 241.331 2.207 20 30 BEEDHM C#CCCCNC(=O)c1cc(SC)ccc1[O-] ZINC000828994497 587478075 /nfs/dbraw/zinc/47/80/75/587478075.db2.gz CLQJVLPMXSOWMC-UHFFFAOYSA-N -1 3 249.335 2.257 20 30 BEEDHM CCCO[N-]C(=O)Nc1ccc(C#N)cc1OC ZINC000831672951 587627118 /nfs/dbraw/zinc/62/71/18/587627118.db2.gz XJUPNQGBXVXTCI-UHFFFAOYSA-N -1 3 249.270 2.030 20 30 BEEDHM C=CCC(F)(F)C(=O)[N-][C@H](CC)C(F)F ZINC000833201920 587701978 /nfs/dbraw/zinc/70/19/78/587701978.db2.gz YXOBQAOIHSOJBE-ZCFIWIBFSA-N -1 3 227.201 2.358 20 30 BEEDHM C#CCN(Cc1ccc(C(=O)[O-])[nH]1)C1CCCC1 ZINC000833364145 587708900 /nfs/dbraw/zinc/70/89/00/587708900.db2.gz FJHWBHNMCBWWFG-UHFFFAOYSA-N -1 3 246.310 2.091 20 30 BEEDHM CC(C)(CC(=O)[O-])NCC#Cc1ccc(F)cc1 ZINC000833455984 587715506 /nfs/dbraw/zinc/71/55/06/587715506.db2.gz ISUFQLSYDSGNTD-UHFFFAOYSA-N -1 3 249.285 2.020 20 30 BEEDHM C#CCN(CC)Cc1cccc(NC(=O)[O-])c1 ZINC000833787593 587731807 /nfs/dbraw/zinc/73/18/07/587731807.db2.gz UYGVOSDNEZRSIL-UHFFFAOYSA-N -1 3 232.283 2.232 20 30 BEEDHM CON=Cc1cc(Br)ccc1[O-] ZINC000002519765 587760299 /nfs/dbraw/zinc/76/02/99/587760299.db2.gz BXFUDGHSGNZJGH-UHFFFAOYSA-N -1 3 230.061 2.135 20 30 BEEDHM C[C@@H](NN=Cc1ccccc1[O-])C(F)(F)F ZINC000834997201 587776442 /nfs/dbraw/zinc/77/64/42/587776442.db2.gz WGMXQYPTVMBUGS-SSDOTTSWSA-N -1 3 232.205 2.267 20 30 BEEDHM CSC[C@@H](C)COC(=O)c1ccc(C#N)[n-]1 ZINC000835674708 587811678 /nfs/dbraw/zinc/81/16/78/587811678.db2.gz LHPLIOZNWHHQKT-QMMMGPOBSA-N -1 3 238.312 2.042 20 30 BEEDHM N#Cc1ccc(NC([O-])=NOC2CCC2)cc1F ZINC000836626237 587835825 /nfs/dbraw/zinc/83/58/25/587835825.db2.gz ALYZSRNTJPDAAB-UHFFFAOYSA-N -1 3 249.245 2.303 20 30 BEEDHM N#Cc1ccc(NC(=O)[N-]OC2CCC2)cc1F ZINC000836626237 587835826 /nfs/dbraw/zinc/83/58/26/587835826.db2.gz ALYZSRNTJPDAAB-UHFFFAOYSA-N -1 3 249.245 2.303 20 30 BEEDHM C=CCO[N-]C(=O)C1(CC=C)CCCC1 ZINC000837043471 587848429 /nfs/dbraw/zinc/84/84/29/587848429.db2.gz LNQNSMGFEBRECD-UHFFFAOYSA-N -1 3 209.289 2.357 20 30 BEEDHM C=CCO[N-]C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC000837042645 587848822 /nfs/dbraw/zinc/84/88/22/587848822.db2.gz BAJDGGWOFXEYHP-QWRGUYRKSA-N -1 3 223.316 2.459 20 30 BEEDHM C=CCO[N-]C(=O)C[C@@H]1CCCC[C@H]1C ZINC000837045353 587849840 /nfs/dbraw/zinc/84/98/40/587849840.db2.gz ZYHQNCHOKGJUQI-MNOVXSKESA-N -1 3 211.305 2.437 20 30 BEEDHM C=CCO[N-]C(=O)Cc1ccccc1OC(C)C ZINC000837046594 587850534 /nfs/dbraw/zinc/85/05/34/587850534.db2.gz OKPAFMKTTPQXKG-UHFFFAOYSA-N -1 3 249.310 2.250 20 30 BEEDHM C=CCO[N-]C(=O)CCCC[C@H](C)C(C)=O ZINC000837048730 587851430 /nfs/dbraw/zinc/85/14/30/587851430.db2.gz XQLRLKKGIAABKP-JTQLQIEISA-N -1 3 227.304 2.006 20 30 BEEDHM C=CCONC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000837048915 587851494 /nfs/dbraw/zinc/85/14/94/587851494.db2.gz RKPXTADNRGBGSR-UHFFFAOYSA-N -1 3 247.294 2.118 20 30 BEEDHM C=CCO[N-]C(=O)C[C@H](C)c1cccc(OC)c1 ZINC000837048575 587851556 /nfs/dbraw/zinc/85/15/56/587851556.db2.gz UWLSQFUGTISZKQ-NSHDSACASA-N -1 3 249.310 2.423 20 30 BEEDHM C=CCO[N-]C(=O)CCCCCCC(C)=O ZINC000837048311 587851703 /nfs/dbraw/zinc/85/17/03/587851703.db2.gz RFFSGWUDMQBUBG-UHFFFAOYSA-N -1 3 227.304 2.150 20 30 BEEDHM C=CCO[N-]C(=O)CCc1ccc(C)s1 ZINC000837049678 587852178 /nfs/dbraw/zinc/85/21/78/587852178.db2.gz MYZZAGNJUGPNFM-UHFFFAOYSA-N -1 3 225.313 2.223 20 30 BEEDHM CC(C)(C)C#CC(=O)Nc1ccccc1[O-] ZINC000837355750 587868758 /nfs/dbraw/zinc/86/87/58/587868758.db2.gz IMPKLTXTYIVMNR-UHFFFAOYSA-N -1 3 217.268 2.380 20 30 BEEDHM C=CCCCCOC(=O)c1cncc([O-])c1 ZINC000837516611 587879525 /nfs/dbraw/zinc/87/95/25/587879525.db2.gz HBZVMFJUILNYJE-UHFFFAOYSA-N -1 3 221.256 2.300 20 30 BEEDHM N#CCCCCOC(=O)c1cc([O-])ccc1F ZINC000837869590 587901257 /nfs/dbraw/zinc/90/12/57/587901257.db2.gz SPFAIYUVOSKBLR-UHFFFAOYSA-N -1 3 237.230 2.382 20 30 BEEDHM C#CCCCOC(=O)c1cc([O-])ccc1F ZINC000837864562 587901393 /nfs/dbraw/zinc/90/13/93/587901393.db2.gz FUHCSCBNCISLQF-UHFFFAOYSA-N -1 3 222.215 2.102 20 30 BEEDHM CCO[C@H]1C[C@@H](/N=C/c2ccccc2[O-])C1 ZINC000840709055 587917104 /nfs/dbraw/zinc/91/71/04/587917104.db2.gz ARKXUIKOEAZLEJ-BHZZPZCXSA-N -1 3 219.284 2.379 20 30 BEEDHM COc1cccc([O-])c1/C=N\CC(C)(F)F ZINC000840705879 587917169 /nfs/dbraw/zinc/91/71/69/587917169.db2.gz HVIVLPPILKPUAN-NSIKDUERSA-N -1 3 229.226 2.475 20 30 BEEDHM C[C@@H](Cc1cnn(C)c1)/N=C/c1ccccc1[O-] ZINC000840711295 587917629 /nfs/dbraw/zinc/91/76/29/587917629.db2.gz YCZWRXIUGRUQEM-ZRRZQRFHSA-N -1 3 243.310 2.176 20 30 BEEDHM C=CCON=C([O-])Nc1ccc2c(c1)CCCN2 ZINC000841302393 587951209 /nfs/dbraw/zinc/95/12/09/587951209.db2.gz PJWOPOHZUIJLQF-UHFFFAOYSA-N -1 3 247.298 2.284 20 30 BEEDHM C=CCO[N-]C(=O)Nc1ccc2c(c1)CCCN2 ZINC000841302393 587951210 /nfs/dbraw/zinc/95/12/10/587951210.db2.gz PJWOPOHZUIJLQF-UHFFFAOYSA-N -1 3 247.298 2.284 20 30 BEEDHM CCOc1ccc(C=NNC23CC(C2)C3)c([O-])c1 ZINC000842548445 588041485 /nfs/dbraw/zinc/04/14/85/588041485.db2.gz VIOBXKXIZGTGJG-UHFFFAOYSA-N -1 3 246.310 2.267 20 30 BEEDHM C=C[C@@H](C)ON=C([O-])Nc1ccc(N(C)C)cc1 ZINC000844482371 588198936 /nfs/dbraw/zinc/19/89/36/588198936.db2.gz LGMFKIQUANDHMD-SNVBAGLBSA-N -1 3 249.314 2.380 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ccc(N(C)C)cc1 ZINC000844482371 588198937 /nfs/dbraw/zinc/19/89/37/588198937.db2.gz LGMFKIQUANDHMD-SNVBAGLBSA-N -1 3 249.314 2.380 20 30 BEEDHM C=C(C)CON=C([O-])Nc1ccc(OC)cc1 ZINC000844480963 588199033 /nfs/dbraw/zinc/19/90/33/588199033.db2.gz AGLQQVYSDZZADN-UHFFFAOYSA-N -1 3 236.271 2.324 20 30 BEEDHM C=C(C)CO[N-]C(=O)Nc1ccc(OC)cc1 ZINC000844480963 588199034 /nfs/dbraw/zinc/19/90/34/588199034.db2.gz AGLQQVYSDZZADN-UHFFFAOYSA-N -1 3 236.271 2.324 20 30 BEEDHM C=C[C@H](C)ON=C([O-])Nc1ccc(N(C)C)cc1 ZINC000844482370 588199161 /nfs/dbraw/zinc/19/91/61/588199161.db2.gz LGMFKIQUANDHMD-JTQLQIEISA-N -1 3 249.314 2.380 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccc(N(C)C)cc1 ZINC000844482370 588199162 /nfs/dbraw/zinc/19/91/62/588199162.db2.gz LGMFKIQUANDHMD-JTQLQIEISA-N -1 3 249.314 2.380 20 30 BEEDHM C=C[C@H](C)ON=C([O-])Nc1cnn(C(C)C)c1 ZINC000844553078 588202011 /nfs/dbraw/zinc/20/20/11/588202011.db2.gz UAXNDOYQHSHZKF-VIFPVBQESA-N -1 3 238.291 2.092 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)Nc1cnn(C(C)C)c1 ZINC000844553078 588202012 /nfs/dbraw/zinc/20/20/12/588202012.db2.gz UAXNDOYQHSHZKF-VIFPVBQESA-N -1 3 238.291 2.092 20 30 BEEDHM C=C[C@H](C)ON=C([O-])Nc1sc(C)nc1C ZINC000844562151 588202789 /nfs/dbraw/zinc/20/27/89/588202789.db2.gz PEJNEUAKHRJMJE-LURJTMIESA-N -1 3 241.316 2.388 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)Nc1sc(C)nc1C ZINC000844562151 588202790 /nfs/dbraw/zinc/20/27/90/588202790.db2.gz PEJNEUAKHRJMJE-LURJTMIESA-N -1 3 241.316 2.388 20 30 BEEDHM C=C[C@H](C)ON=C([O-])Nc1ccc(C)nc1 ZINC000844565470 588203305 /nfs/dbraw/zinc/20/33/05/588203305.db2.gz VRZQYKRGCRAFRQ-VIFPVBQESA-N -1 3 221.260 2.018 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccc(C)nc1 ZINC000844565470 588203306 /nfs/dbraw/zinc/20/33/06/588203306.db2.gz VRZQYKRGCRAFRQ-VIFPVBQESA-N -1 3 221.260 2.018 20 30 BEEDHM [O-]c1ccc(C=NNC2CCCC2)c(F)c1 ZINC000844583417 588204727 /nfs/dbraw/zinc/20/47/27/588204727.db2.gz WQJATWQZBCLKJS-UHFFFAOYSA-N -1 3 222.263 2.397 20 30 BEEDHM C=C[C@H](C)ON=C([O-])Nc1ccc2c(c1)COC2 ZINC000844603299 588207898 /nfs/dbraw/zinc/20/78/98/588207898.db2.gz WHJXCUKOTMUXEW-VIFPVBQESA-N -1 3 248.282 2.344 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccc2c(c1)COC2 ZINC000844603299 588207899 /nfs/dbraw/zinc/20/78/99/588207899.db2.gz WHJXCUKOTMUXEW-VIFPVBQESA-N -1 3 248.282 2.344 20 30 BEEDHM C=C[C@H](C)ON=C([O-])Nc1ncccc1C ZINC000844617072 588208407 /nfs/dbraw/zinc/20/84/07/588208407.db2.gz UEMZYVNVQAZTDH-VIFPVBQESA-N -1 3 221.260 2.018 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)Nc1ncccc1C ZINC000844617072 588208408 /nfs/dbraw/zinc/20/84/08/588208408.db2.gz UEMZYVNVQAZTDH-VIFPVBQESA-N -1 3 221.260 2.018 20 30 BEEDHM C=C[C@@H](C)ON=Cc1ccc(OC)cc1[O-] ZINC000844625992 588211229 /nfs/dbraw/zinc/21/12/29/588211229.db2.gz WOCRQHFNYTUIKB-SECBINFHSA-N -1 3 221.256 2.326 20 30 BEEDHM C=C[C@@H](C)ON=C([O-])Nc1ccn(C(C)C)n1 ZINC000844652078 588211825 /nfs/dbraw/zinc/21/18/25/588211825.db2.gz AUKZKQLIWKMBMY-SECBINFHSA-N -1 3 238.291 2.092 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ccn(C(C)C)n1 ZINC000844652078 588211826 /nfs/dbraw/zinc/21/18/26/588211826.db2.gz AUKZKQLIWKMBMY-SECBINFHSA-N -1 3 238.291 2.092 20 30 BEEDHM C=C[C@@H](C)ON=C([O-])Nc1cccc2c1CCO2 ZINC000844651664 588212223 /nfs/dbraw/zinc/21/22/23/588212223.db2.gz PGCHRRBDBWSZMK-SECBINFHSA-N -1 3 248.282 2.249 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)Nc1cccc2c1CCO2 ZINC000844651664 588212224 /nfs/dbraw/zinc/21/22/24/588212224.db2.gz PGCHRRBDBWSZMK-SECBINFHSA-N -1 3 248.282 2.249 20 30 BEEDHM C=C(C)CO[N-]C(=O)[C@H]1C[C@]1(C)C(C)C ZINC000846534787 588270008 /nfs/dbraw/zinc/27/00/08/588270008.db2.gz BHBOMHCCLAGJGC-ZYHUDNBSSA-N -1 3 211.305 2.293 20 30 BEEDHM C=C(C)CO[N-]C(=O)[C@@H]1CCCCCC(=O)C1 ZINC000846533214 588270297 /nfs/dbraw/zinc/27/02/97/588270297.db2.gz CVEWKIBDMIDEAK-LLVKDONJSA-N -1 3 239.315 2.150 20 30 BEEDHM C=C(C)CO[N-]C(=O)C[C@H]1CCC[C@@H](OC)C1 ZINC000846533492 588270533 /nfs/dbraw/zinc/27/05/33/588270533.db2.gz JPJDULXWLJRCNR-NWDGAFQWSA-N -1 3 241.331 2.206 20 30 BEEDHM C=C(C)CO[N-]C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000846533822 588270639 /nfs/dbraw/zinc/27/06/39/588270639.db2.gz FKYUDRPPFRGRMA-OLZOCXBDSA-N -1 3 231.295 2.414 20 30 BEEDHM C=C(C)CO[N-]C(=O)Cc1cc(C)ccc1F ZINC000846534664 588270783 /nfs/dbraw/zinc/27/07/83/588270783.db2.gz WTHSMQFIVWWXOR-UHFFFAOYSA-N -1 3 237.274 2.301 20 30 BEEDHM C=C(C)CO[N-]C(=O)[C@@H]1CC12CCSCC2 ZINC000846534228 588270965 /nfs/dbraw/zinc/27/09/65/588270965.db2.gz MRJKYWSBFRUCQK-JTQLQIEISA-N -1 3 241.356 2.144 20 30 BEEDHM C=C(C)CONC(=O)c1ccc(C)c(C)c1[O-] ZINC000846536283 588271576 /nfs/dbraw/zinc/27/15/76/588271576.db2.gz ZYZJMLPIUDVQLQ-UHFFFAOYSA-N -1 3 235.283 2.247 20 30 BEEDHM C=C(C)CO[N-]C(=O)CCc1ccccc1F ZINC000846539630 588272686 /nfs/dbraw/zinc/27/26/86/588272686.db2.gz BOSAZAUURLQETK-UHFFFAOYSA-N -1 3 237.274 2.382 20 30 BEEDHM C=C(C)CO[N-]C(=O)CCc1ccc(OC)cc1 ZINC000846540631 588272690 /nfs/dbraw/zinc/27/26/90/588272690.db2.gz DQOHHZKIAYHPMD-UHFFFAOYSA-N -1 3 249.310 2.252 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)CCc1csc(C)n1 ZINC000846544881 588273599 /nfs/dbraw/zinc/27/35/99/588273599.db2.gz KQSZQTVATWHXLA-QMMMGPOBSA-N -1 3 240.328 2.006 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)CCCc1ccccn1 ZINC000846545632 588273799 /nfs/dbraw/zinc/27/37/99/588273799.db2.gz OYBPFTCWGFRMNL-LLVKDONJSA-N -1 3 234.299 2.027 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1CC12CCCC2 ZINC000846547945 588274731 /nfs/dbraw/zinc/27/47/31/588274731.db2.gz RDSJEKHJBDAUQK-VHSXEESVSA-N -1 3 209.289 2.189 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)CCCC(F)(F)F ZINC000846549524 588275080 /nfs/dbraw/zinc/27/50/80/588275080.db2.gz OOEQPBFHGGYJDJ-ZETCQYMHSA-N -1 3 225.210 2.341 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)CCCC[C@H](C)C(C)=O ZINC000846550581 588275348 /nfs/dbraw/zinc/27/53/48/588275348.db2.gz YDWHFGYHWUZFNM-QWRGUYRKSA-N -1 3 241.331 2.394 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCCCC(=O)C1 ZINC000846553004 588276359 /nfs/dbraw/zinc/27/63/59/588276359.db2.gz VEJCNTDBBSRTBN-GHMZBOCLSA-N -1 3 239.315 2.148 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)[C@H](C)CC(F)(F)F ZINC000846555257 588276970 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C=C(CC)CNCc1cc(C)c(C(=O)[O-])o1 ZINC000313502537 963649238 /nfs/dbraw/zinc/64/92/38/963649238.db2.gz TVZNOZXAOOFSJR-UHFFFAOYSA-N -1 3 223.272 2.342 20 30 BEEDHM N#C[C@H](Nc1ccc(=S)[n-]n1)c1ccccc1 ZINC001161717124 964706387 /nfs/dbraw/zinc/70/63/87/964706387.db2.gz BVJBHSNGWJYFCK-JTQLQIEISA-N -1 3 242.307 2.442 20 30 BEEDHM N#CC1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203648640 966720952 /nfs/dbraw/zinc/72/09/52/966720952.db2.gz PZHKZEAZCUQJKH-UHFFFAOYSA-N -1 3 222.675 2.001 20 30 BEEDHM C[C@H](NCC1(C#N)CC1)c1cccc(C#N)c1[O-] ZINC000903109016 967070695 /nfs/dbraw/zinc/07/06/95/967070695.db2.gz KIEVPMNSOYDXBF-JTQLQIEISA-N -1 3 241.294 2.218 20 30 BEEDHM Cc1noc(Nc2cccc(F)c2[O-])c1C#N ZINC001210196437 969828306 /nfs/dbraw/zinc/82/83/06/969828306.db2.gz TWVDORXXPIMACH-UHFFFAOYSA-N -1 3 233.202 2.443 20 30 BEEDHM N#Cc1ccccc1Nc1cc(=O)[n-]c(=S)[nH]1 ZINC001210736559 970005155 /nfs/dbraw/zinc/00/51/55/970005155.db2.gz MWWMVTGFFPPGTO-UHFFFAOYSA-N -1 3 244.279 2.086 20 30 BEEDHM C[C@H]1CC(=O)CC(=Nc2ncc(F)cc2[O-])C1 ZINC001210770149 970022593 /nfs/dbraw/zinc/02/25/93/970022593.db2.gz ZSDMFQSUAPBKSZ-SSDOTTSWSA-N -1 3 236.246 2.221 20 30 BEEDHM C=CCCCNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001170302219 970688584 /nfs/dbraw/zinc/68/85/84/970688584.db2.gz ZYPFKZXVKRHWMZ-UHFFFAOYSA-N -1 3 247.277 2.384 20 30 BEEDHM C=CCCCNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001170302219 970688586 /nfs/dbraw/zinc/68/85/86/970688586.db2.gz ZYPFKZXVKRHWMZ-UHFFFAOYSA-N -1 3 247.277 2.384 20 30 BEEDHM C[C@@H](Oc1ccc2c([O-])coc2c1)[C@H](C)S ZINC001225340784 974418990 /nfs/dbraw/zinc/41/89/90/974418990.db2.gz UJRJPOIDASMYSI-SFYZADRCSA-N -1 3 238.308 2.347 20 30 BEEDHM CC#C[C@@H](CC)Oc1ccc2c([O-])coc2c1 ZINC001225340392 974419444 /nfs/dbraw/zinc/41/94/44/974419444.db2.gz LEPCCBMCTMUHNL-SNVBAGLBSA-N -1 3 230.263 2.442 20 30 BEEDHM Cc1cc(=O)c(C#N)c(OC[C@H]2CCC=CO2)[n-]1 ZINC001225466173 974510866 /nfs/dbraw/zinc/51/08/66/974510866.db2.gz AAFLMNYVGULNMT-SNVBAGLBSA-N -1 3 246.266 2.039 20 30 BEEDHM 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C#CC(C#C)Oc1cccc([O-])c1Cl ZINC001226709589 975041010 /nfs/dbraw/zinc/04/10/10/975041010.db2.gz OZHJCZROLGZGLL-UHFFFAOYSA-N -1 3 206.628 2.059 20 30 BEEDHM C=C[C@H](CCCC)Oc1cc(=O)[n-]cn1 ZINC001226948657 975180235 /nfs/dbraw/zinc/18/02/35/975180235.db2.gz HMWDJIRWTHBUHC-SECBINFHSA-N -1 3 208.261 2.306 20 30 BEEDHM CCc1cnc(=S)[n-]c1O[C@@H](C)CS ZINC001227063654 975247261 /nfs/dbraw/zinc/24/72/61/975247261.db2.gz NEMNFTFVAAKARD-LURJTMIESA-N -1 3 230.358 2.025 20 30 BEEDHM C=C[C@H](CCCC)Oc1ccc(=O)[n-]n1 ZINC001227093636 975263285 /nfs/dbraw/zinc/26/32/85/975263285.db2.gz OWODUFQDLWOPKX-SECBINFHSA-N -1 3 208.261 2.306 20 30 BEEDHM C#C[C@@H](CC)Oc1cc(C#N)ccc1[O-] ZINC001227344704 975365896 /nfs/dbraw/zinc/36/58/96/975365896.db2.gz CQLBJKRTAGISMB-JTQLQIEISA-N -1 3 201.225 2.054 20 30 BEEDHM C[C@H]1COCC[C@@H]1Oc1cc(C#N)ccc1[O-] ZINC001227353654 975371270 /nfs/dbraw/zinc/37/12/70/975371270.db2.gz ZSGHERMWTIUQIF-CABZTGNLSA-N -1 3 233.267 2.068 20 30 BEEDHM C#C[C@H]1CCC[C@@H]1Oc1cc(C#N)ccc1[O-] ZINC001227351877 975371294 /nfs/dbraw/zinc/37/12/94/975371294.db2.gz ZSPAHSOSMCNWOP-AAEUAGOBSA-N -1 3 227.263 2.445 20 30 BEEDHM C#C[C@@H](CC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227746239 975668748 /nfs/dbraw/zinc/66/87/48/975668748.db2.gz QUCIEXXUQICDOX-VIFPVBQESA-N -1 3 245.238 2.262 20 30 BEEDHM C#C[C@@H](CC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227746239 975668762 /nfs/dbraw/zinc/66/87/62/975668762.db2.gz QUCIEXXUQICDOX-VIFPVBQESA-N -1 3 245.238 2.262 20 30 BEEDHM COc1ncccc1Nc1cc(C#N)ccc1[O-] ZINC001174042678 976263529 /nfs/dbraw/zinc/26/35/29/976263529.db2.gz XIMUUCYHTXVASK-UHFFFAOYSA-N -1 3 241.250 2.411 20 30 BEEDHM CCCn1cc([N-]c2onc(C)c2C#N)cn1 ZINC001174217839 976406693 /nfs/dbraw/zinc/40/66/93/976406693.db2.gz WZNAFXZJUFRLEL-UHFFFAOYSA-N -1 3 231.259 2.205 20 30 BEEDHM C=C[C@@H](CC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228698703 976438078 /nfs/dbraw/zinc/43/80/78/976438078.db2.gz ZYCBMQZBNZXEGX-JTQLQIEISA-N -1 3 230.271 2.210 20 30 BEEDHM CC#C[C@H](CC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228699672 976441311 /nfs/dbraw/zinc/44/13/11/976441311.db2.gz IPAHKZOLEYQEQQ-NSHDSACASA-N -1 3 242.282 2.047 20 30 BEEDHM CCC#C[C@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700664 976446320 /nfs/dbraw/zinc/44/63/20/976446320.db2.gz VHOMCTYIKDKJGV-JTQLQIEISA-N -1 3 242.282 2.047 20 30 BEEDHM C#CC[C@@H](C)Oc1cc2c(cc1[O-])CCC2=O ZINC001228854970 976535936 /nfs/dbraw/zinc/53/59/36/976535936.db2.gz ZZVHLMQQAWLHFT-SECBINFHSA-N -1 3 230.263 2.312 20 30 BEEDHM Cc1noc([N-]c2cnc(C3CC3)nc2)c1C#N ZINC001174611295 976919633 /nfs/dbraw/zinc/91/96/33/976919633.db2.gz PEVOCTYTDBKOMH-UHFFFAOYSA-N -1 3 241.254 2.266 20 30 BEEDHM Cc1cc(Nc2scc([O-])c2C#N)ccn1 ZINC001174653307 976937055 /nfs/dbraw/zinc/93/70/55/976937055.db2.gz OUXGSUVCSVEMEQ-UHFFFAOYSA-N -1 3 231.280 2.194 20 30 BEEDHM C=C[C@H](CC)Oc1nc(C)[n-]c(=O)c1C ZINC001229685005 976941748 /nfs/dbraw/zinc/94/17/48/976941748.db2.gz IPBMYJNYKXHIKP-SECBINFHSA-N -1 3 208.261 2.142 20 30 BEEDHM C=CC[C@@H](C=C)Oc1nc(C)[n-]c(=O)c1C ZINC001229687245 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584923104 /nfs/dbraw/zinc/92/31/04/584923104.db2.gz AXNGDCYIJCPXIY-SNAWJCMRSA-N -1 3 228.251 2.320 20 30 BEEDHM C=C(Cl)CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000736689644 585009905 /nfs/dbraw/zinc/00/99/05/585009905.db2.gz TYAZTLXXRXOINW-UHFFFAOYSA-N -1 3 239.702 2.491 20 30 BEEDHM Cc1ccc([O-])c(C=NOC2CCCC2)n1 ZINC000774604123 585032698 /nfs/dbraw/zinc/03/26/98/585032698.db2.gz VOSYYLSNUHHFCY-UHFFFAOYSA-N -1 3 220.272 2.389 20 30 BEEDHM C=CCCOC(=O)Cc1ccc([O-])c(F)c1 ZINC000838143320 585047163 /nfs/dbraw/zinc/04/71/63/585047163.db2.gz ULCAIZSAVCNVBF-UHFFFAOYSA-N -1 3 224.231 2.193 20 30 BEEDHM Cc1ccc([O-])c(C=NOCc2cccnc2)n1 ZINC000746587143 585170515 /nfs/dbraw/zinc/17/05/15/585170515.db2.gz GHJDDXGMKMKZGI-UHFFFAOYSA-N -1 3 243.266 2.041 20 30 BEEDHM COCCON=C(C)c1ccc(C)cc1[O-] ZINC000748790797 585196431 /nfs/dbraw/zinc/19/64/31/585196431.db2.gz NDLOVAOIZIDOEQ-UHFFFAOYSA-N -1 3 223.272 2.088 20 30 BEEDHM CC(C)CON=Cc1cc2c(cc1[O-])OCO2 ZINC000749635976 585204802 /nfs/dbraw/zinc/20/48/02/585204802.db2.gz BTKNZURPHWBCFV-UHFFFAOYSA-N -1 3 237.255 2.127 20 30 BEEDHM N#CCCCCOC(=O)c1ccc(F)cc1[O-] ZINC000750144404 585211206 /nfs/dbraw/zinc/21/12/06/585211206.db2.gz BGIZUZGQMQCBKL-UHFFFAOYSA-N -1 3 237.230 2.382 20 30 BEEDHM COc1cccc([O-])c1/C=N/[C@H]1CC[C@H](O)CC1 ZINC000753638501 585265379 /nfs/dbraw/zinc/26/53/79/585265379.db2.gz KOGBFKRMVXDENA-BUZQWNBOSA-N -1 3 249.310 2.123 20 30 BEEDHM Cc1ncc(CO)c(/C=N\CCC2CCC2)c1[O-] ZINC000755031425 585293483 /nfs/dbraw/zinc/29/34/83/585293483.db2.gz IYZNCYIPSWKYQY-NVNXTCNLSA-N -1 3 248.326 2.197 20 30 BEEDHM COc1cccc([O-])c1/C=N/C[C@@]1(C)CCCO1 ZINC000755031783 585293551 /nfs/dbraw/zinc/29/35/51/585293551.db2.gz OOXKEVIEEIWWHY-UWZYDCLUSA-N -1 3 249.310 2.389 20 30 BEEDHM C[C@@H](NN=Cc1ccc([O-])cn1)c1ccccc1 ZINC000755664345 585303638 /nfs/dbraw/zinc/30/36/38/585303638.db2.gz KNQWTFGYHVPNHL-LLVKDONJSA-N -1 3 241.294 2.472 20 30 BEEDHM [O-]c1ccc(C=NNC2CCCC2)cc1F ZINC000755689335 585304191 /nfs/dbraw/zinc/30/41/91/585304191.db2.gz PFKMBFPQBGLDOA-UHFFFAOYSA-N -1 3 222.263 2.397 20 30 BEEDHM CC(=NNC1CCOCC1)c1ccc(C)cc1[O-] ZINC000757596370 585342691 /nfs/dbraw/zinc/34/26/91/585342691.db2.gz AEIWLHCRRYWAIE-UHFFFAOYSA-N -1 3 248.326 2.193 20 30 BEEDHM C#CCCCC(=O)[N-]OC1CCCCC1 ZINC000758057266 585348807 /nfs/dbraw/zinc/34/88/07/585348807.db2.gz NUGKBKBDCPGYEN-UHFFFAOYSA-N -1 3 209.289 2.170 20 30 BEEDHM CC(=NOCC(F)F)c1ccccc1[O-] ZINC000758902723 585362213 /nfs/dbraw/zinc/36/22/13/585362213.db2.gz JFYJTBJNFUYLBN-UHFFFAOYSA-N -1 3 215.199 2.398 20 30 BEEDHM Cc1ccc([O-])c(C=NOCC(F)(F)F)n1 ZINC000764835242 585475261 /nfs/dbraw/zinc/47/52/61/585475261.db2.gz JZUVAXWJEJJFRX-UHFFFAOYSA-N -1 3 234.177 2.008 20 30 BEEDHM C#CCCOC(=O)c1ccc(Cl)cc1[O-] ZINC000765392713 585485307 /nfs/dbraw/zinc/48/53/07/585485307.db2.gz KCEOHQFTEVSFLR-UHFFFAOYSA-N -1 3 224.643 2.226 20 30 BEEDHM CC#CCCOC(=O)c1ccc(F)cc1[O-] ZINC000765500112 585488450 /nfs/dbraw/zinc/48/84/50/585488450.db2.gz BWNCBSUVOGQEIV-UHFFFAOYSA-N -1 3 222.215 2.102 20 30 BEEDHM CC#CCO[N-]C(=O)c1c(F)cccc1Cl ZINC000766069351 585497271 /nfs/dbraw/zinc/49/72/71/585497271.db2.gz KHPDWAFAZHWTQU-UHFFFAOYSA-N -1 3 241.649 2.164 20 30 BEEDHM C#CCCCSCc1nc(CC)cc(=O)[n-]1 ZINC000766738053 585507412 /nfs/dbraw/zinc/50/74/12/585507412.db2.gz PBIOSDUWILYBOR-UHFFFAOYSA-N -1 3 236.340 2.391 20 30 BEEDHM C#CCCCO[N-]C(=O)CCCc1ccccc1 ZINC000766741032 585507755 /nfs/dbraw/zinc/50/77/55/585507755.db2.gz AJIDURHLPQMURR-UHFFFAOYSA-N -1 3 245.322 2.471 20 30 BEEDHM CC#CCCCCOC(=O)c1ccc(C#N)[n-]1 ZINC000768123464 585532296 /nfs/dbraw/zinc/53/22/96/585532296.db2.gz BCPHWSXRFYYPBY-UHFFFAOYSA-N -1 3 230.267 2.237 20 30 BEEDHM C#CC(C)(C)NC(=O)c1cccc(CC)c1[O-] ZINC000769856496 585565156 /nfs/dbraw/zinc/56/51/56/585565156.db2.gz AIMLSVQBHXMCKG-UHFFFAOYSA-N -1 3 231.295 2.096 20 30 BEEDHM CC(=NNC[C@H](C)C#N)c1ccc([O-])cc1F ZINC000771103273 585590570 /nfs/dbraw/zinc/59/05/70/585590570.db2.gz LEUWEMLXQBUHDX-MRVPVSSYSA-N -1 3 235.262 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COC[C@@H](C)NN=Cc1c([O-])cccc1Cl ZINC000777903535 585723360 /nfs/dbraw/zinc/72/33/60/585723360.db2.gz TXUHSYCYVAAQDP-MRVPVSSYSA-N -1 3 242.706 2.004 20 30 BEEDHM CC(=NNCCOC(C)C)c1ccccc1[O-] ZINC000778550906 585737220 /nfs/dbraw/zinc/73/72/20/585737220.db2.gz SKSATENWRGZWPS-UHFFFAOYSA-N -1 3 236.315 2.131 20 30 BEEDHM Cc1cc(C(=O)OCC2(C#N)CC2)ccc1[O-] ZINC000778857348 585741536 /nfs/dbraw/zinc/74/15/36/585741536.db2.gz ULVRASQBDWGNNW-UHFFFAOYSA-N -1 3 231.251 2.161 20 30 BEEDHM CC(C)(C#N)OC(=O)c1cc(-c2ccoc2)[n-]n1 ZINC000779227409 585747759 /nfs/dbraw/zinc/74/77/59/585747759.db2.gz JBRTYOBZHINPBA-UHFFFAOYSA-N -1 3 245.238 2.129 20 30 BEEDHM C#CCCCCCC(=O)[N-]OCc1cccnc1 ZINC000779941858 585770350 /nfs/dbraw/zinc/77/03/50/585770350.db2.gz CQFXTQHGLFSZOJ-UHFFFAOYSA-N -1 3 246.310 2.213 20 30 BEEDHM C=CCN(C(=O)c1ccc(C)c(O)c1[O-])C(C)C ZINC000780931329 585786556 /nfs/dbraw/zinc/78/65/56/585786556.db2.gz WLPICKVJYDVHOO-UHFFFAOYSA-N -1 3 249.310 2.443 20 30 BEEDHM O=C(N[O-])C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000782170343 585808669 /nfs/dbraw/zinc/80/86/69/585808669.db2.gz YYNVQHKDRFUKSV-UHFFFAOYSA-N -1 3 245.200 2.242 20 30 BEEDHM O=C(CC1(CSc2ccccc2)CC1)N[O-] ZINC000782170351 585808800 /nfs/dbraw/zinc/80/88/00/585808800.db2.gz ZFZMQYKQXPNTAY-UHFFFAOYSA-N -1 3 237.324 2.454 20 30 BEEDHM O=C(N[O-])[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000782169238 585808873 /nfs/dbraw/zinc/80/88/73/585808873.db2.gz HUOHQYSHEYMMFF-STQMWFEESA-N -1 3 227.263 2.449 20 30 BEEDHM O=C(CCC(=O)c1ccc2c(c1)CCCC2)N[O-] ZINC000782170945 585808932 /nfs/dbraw/zinc/80/89/32/585808932.db2.gz QETPNLUGEHCSMN-UHFFFAOYSA-N -1 3 247.294 2.034 20 30 BEEDHM C[C@@H](CCCc1ccccc1)C(=O)N[O-] ZINC000782171722 585809126 /nfs/dbraw/zinc/80/91/26/585809126.db2.gz MJAUXLBWBLDSHN-JTQLQIEISA-N -1 3 207.273 2.151 20 30 BEEDHM CC(C)(C(=O)N[O-])c1ccccc1Cl ZINC000782173304 585809323 /nfs/dbraw/zinc/80/93/23/585809323.db2.gz NUJGUUIWWALELL-UHFFFAOYSA-N -1 3 213.664 2.123 20 30 BEEDHM CC[C@@H](Oc1ccccc1Cl)C(=O)N[O-] ZINC000782173003 585809495 /nfs/dbraw/zinc/80/94/95/585809495.db2.gz GOCCICRTTYWXNB-MRVPVSSYSA-N -1 3 229.663 2.003 20 30 BEEDHM CC(C)(C)CCNN=Cc1ccc([O-])cn1 ZINC000782906540 585825989 /nfs/dbraw/zinc/82/59/89/585825989.db2.gz AKHWCYKDRQDKSY-UHFFFAOYSA-N -1 3 221.304 2.147 20 30 BEEDHM C#CCCCOC(=O)c1cc2occc2[n-]1 ZINC000786029381 585885713 /nfs/dbraw/zinc/88/57/13/585885713.db2.gz MSGARLPAWNUNNC-UHFFFAOYSA-N -1 3 217.224 2.331 20 30 BEEDHM [O-]c1c(O)cccc1C=NNC1CCCCC1 ZINC000786043102 585886259 /nfs/dbraw/zinc/88/62/59/585886259.db2.gz IPZRYWFHJDIZTO-UHFFFAOYSA-N -1 3 234.299 2.354 20 30 BEEDHM Cc1cnc(COC(=O)c2ccc(C#N)[n-]2)s1 ZINC000786081133 585886921 /nfs/dbraw/zinc/88/69/21/585886921.db2.gz JVLVDJNILYIYFE-UHFFFAOYSA-N -1 3 247.279 2.008 20 30 BEEDHM CCC[C@H](C)OC(=O)c1ccc(C#N)[n-]1 ZINC000786979913 585899495 /nfs/dbraw/zinc/89/94/95/585899495.db2.gz DNAHJXCYUXYVHE-QMMMGPOBSA-N -1 3 206.245 2.232 20 30 BEEDHM C#C[C@H](C)N(C)Cc1cc([O-])ccc1Cl ZINC000859280154 589026819 /nfs/dbraw/zinc/02/68/19/589026819.db2.gz GXHLUKMDUFRNOV-VIFPVBQESA-N -1 3 223.703 2.499 20 30 BEEDHM CC[C@H](C)NN=Cc1cc(F)ccc1[O-] ZINC000790181274 585959487 /nfs/dbraw/zinc/95/94/87/585959487.db2.gz CKRZRNPWGZSKHM-QMMMGPOBSA-N -1 3 210.252 2.253 20 30 BEEDHM CC[C@H](C)NN=C1C(=O)[N-]c2c1cc(C)cc2F ZINC000790186685 585960200 /nfs/dbraw/zinc/96/02/00/585960200.db2.gz CCGQGVZWRKXXEZ-QMMMGPOBSA-N -1 3 249.289 2.178 20 30 BEEDHM CC(=N[N-]c1[nH+]ccn1C)c1sccc1[O-] ZINC000790305908 585963504 /nfs/dbraw/zinc/96/35/04/585963504.db2.gz QLSRUSSXTXHKGR-UHFFFAOYSA-N -1 3 236.300 2.023 20 30 BEEDHM Cc1ccc([O-])c(C=NN[C@H](C)C(C)(C)C)n1 ZINC000793114292 586010832 /nfs/dbraw/zinc/01/08/32/586010832.db2.gz KITIJYUMPIPUSQ-SNVBAGLBSA-N -1 3 235.331 2.454 20 30 BEEDHM CCCNN=Cc1c(F)ccc([O-])c1F ZINC000794493557 586040736 /nfs/dbraw/zinc/04/07/36/586040736.db2.gz JPYBOSFFUITAHI-UHFFFAOYSA-N -1 3 214.215 2.004 20 30 BEEDHM C[C@@H]1CC[C@@H]1/N=C\c1ccc(O)c([O-])c1O ZINC000794676590 586046727 /nfs/dbraw/zinc/04/67/27/586046727.db2.gz OCBKTOZYMQBTGL-SJDIPDPZSA-N -1 3 221.256 2.021 20 30 BEEDHM CS[C@@H](C)[C@H](C)OC(=O)c1ccc(C#N)[n-]1 ZINC000797191074 586122403 /nfs/dbraw/zinc/12/24/03/586122403.db2.gz BNMBMRSTKLCBKZ-YUMQZZPRSA-N -1 3 238.312 2.183 20 30 BEEDHM CC[C@@H]1CC[C@@H](C)CC1=NN=c1cc[n-]n1C ZINC000797403319 586126295 /nfs/dbraw/zinc/12/62/95/586126295.db2.gz ILNOILMQMZFRNB-GHMZBOCLSA-N -1 3 234.347 2.456 20 30 BEEDHM CC(C)C1(COC(=O)c2ccc(C#N)[n-]2)CC1 ZINC000799673737 586190892 /nfs/dbraw/zinc/19/08/92/586190892.db2.gz MUHIXLVIJSYMNO-UHFFFAOYSA-N -1 3 232.283 2.479 20 30 BEEDHM N#CC(=C([O-])C=Cc1ccc[nH]1)c1ccccn1 ZINC000802040141 586286859 /nfs/dbraw/zinc/28/68/59/586286859.db2.gz HXYBFFSDLVAXFZ-ZHRWSRJISA-N -1 3 237.262 2.299 20 30 BEEDHM CC(C)C(=O)c1ccc([C@H](C)C(=O)N[O-])cc1 ZINC000802454086 586305343 /nfs/dbraw/zinc/30/53/43/586305343.db2.gz VYQJPVVSDXJNGJ-VIFPVBQESA-N -1 3 235.283 2.134 20 30 BEEDHM C=CCCOC(=O)c1c[n-]nc1-c1ccccn1 ZINC000810542307 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2.107 20 30 BEEDHM N#Cc1cc(-c2ccc([O-])c(F)c2)ccn1 ZINC001240785930 981828059 /nfs/dbraw/zinc/82/80/59/981828059.db2.gz VDRHSMOLUUMSTJ-UHFFFAOYSA-N -1 3 214.199 2.465 20 30 BEEDHM C=C(C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001240836369 981879768 /nfs/dbraw/zinc/87/97/68/981879768.db2.gz GGOGEYMGYLGELQ-UHFFFAOYSA-N -1 3 204.208 2.039 20 30 BEEDHM Cc1nocc1[N-]C(=O)c1ccc(C#N)cc1F ZINC001585127528 981907707 /nfs/dbraw/zinc/90/77/07/981907707.db2.gz VBIMDYPRHBDWLX-UHFFFAOYSA-N -1 3 245.213 2.246 20 30 BEEDHM Cc1nocc1[N-]C(=O)c1cc(C#N)oc1C ZINC001585127405 981909390 /nfs/dbraw/zinc/90/93/90/981909390.db2.gz SUIJFWVDNBRYGD-UHFFFAOYSA-N -1 3 231.211 2.008 20 30 BEEDHM C#CCCSc1ccc(C)cc1-c1nnn[n-]1 ZINC001588347303 982140542 /nfs/dbraw/zinc/14/05/42/982140542.db2.gz NKZSURRMOTVUAC-UHFFFAOYSA-N -1 3 244.323 2.291 20 30 BEEDHM C#CCCSc1ccc(C)cc1-c1nn[n-]n1 ZINC001588347303 982140548 /nfs/dbraw/zinc/14/05/48/982140548.db2.gz NKZSURRMOTVUAC-UHFFFAOYSA-N -1 3 244.323 2.291 20 30 BEEDHM Cc1nnc(-c2ccc([O-])cc2)c(C#N)c1C ZINC001241060764 982163590 /nfs/dbraw/zinc/16/35/90/982163590.db2.gz MQNMERHJBKYEQK-UHFFFAOYSA-N -1 3 225.251 2.338 20 30 BEEDHM C=C(C)COc1ccc(-c2nn[n-]n2)cc1CC ZINC001588429595 982201623 /nfs/dbraw/zinc/20/16/23/982201623.db2.gz KYTDNDLMUXKLNV-UHFFFAOYSA-N -1 3 244.298 2.384 20 30 BEEDHM C=C(C)CN(C)c1cc(F)ccc1-c1nnn[n-]1 ZINC001588425840 982202547 /nfs/dbraw/zinc/20/25/47/982202547.db2.gz XAPSAFSCZPFULP-UHFFFAOYSA-N -1 3 247.277 2.018 20 30 BEEDHM C=C(C)CN(C)c1cc(F)ccc1-c1nn[n-]n1 ZINC001588425840 982202561 /nfs/dbraw/zinc/20/25/61/982202561.db2.gz XAPSAFSCZPFULP-UHFFFAOYSA-N -1 3 247.277 2.018 20 30 BEEDHM N#Cc1ccc(-c2cc([O-])cc(F)c2)cn1 ZINC001241266107 982400683 /nfs/dbraw/zinc/40/06/83/982400683.db2.gz DWRYHICBEJRHOW-UHFFFAOYSA-N -1 3 214.199 2.465 20 30 BEEDHM N#CCc1ncc(-c2c(F)ccc([O-])c2F)cn1 ZINC001241292770 982435446 /nfs/dbraw/zinc/43/54/46/982435446.db2.gz KRXMXMAZYQUCIY-UHFFFAOYSA-N -1 3 247.204 2.193 20 30 BEEDHM C=C(CC)C(=O)NCc1c([O-])cccc1F ZINC001352984658 982652580 /nfs/dbraw/zinc/65/25/80/982652580.db2.gz CXIRWZSBYSYKEH-UHFFFAOYSA-N -1 3 223.247 2.114 20 30 BEEDHM C#C[C@H](CC)NCc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001588369497 983314558 /nfs/dbraw/zinc/31/45/58/983314558.db2.gz NZEDVUFOACRYHV-SNVBAGLBSA-N -1 3 248.326 2.338 20 30 BEEDHM Cc1cccc(-c2cc(C#N)ncn2)c1[O-] ZINC001242344316 983598042 /nfs/dbraw/zinc/59/80/42/983598042.db2.gz UAIOULJTEWFXMW-UHFFFAOYSA-N -1 3 211.224 2.029 20 30 BEEDHM Cc1cccc(NC(=O)[N-]c2oncc2C#N)c1 ZINC001202305078 983618128 /nfs/dbraw/zinc/61/81/28/983618128.db2.gz GYYWSFMSPGLTHY-UHFFFAOYSA-N -1 3 242.238 2.499 20 30 BEEDHM CC(C)(C)NC(=O)Nc1ccc([O-])cc1C#N ZINC001202483107 983750638 /nfs/dbraw/zinc/75/06/38/983750638.db2.gz RNXJKXCHIDYUOJ-UHFFFAOYSA-N -1 3 233.271 2.184 20 30 BEEDHM Nc1cncc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001242502241 983828435 /nfs/dbraw/zinc/82/84/35/983828435.db2.gz SFIQNQVTHNXLSC-FZSIALSZSA-N -1 3 231.230 2.278 20 30 BEEDHM C=CC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)[O-] ZINC001588752009 984079886 /nfs/dbraw/zinc/07/98/86/984079886.db2.gz SPMPBGXPEKWYCX-GXSJLCMTSA-N -1 3 235.283 2.072 20 30 BEEDHM CCc1nc(C#N)cc(-c2cc([O-])ccc2F)n1 ZINC001242762496 984129302 /nfs/dbraw/zinc/12/93/02/984129302.db2.gz CIDVMLZREJHYON-UHFFFAOYSA-N -1 3 243.241 2.422 20 30 BEEDHM CC#CCN[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001588932004 984605263 /nfs/dbraw/zinc/60/52/63/984605263.db2.gz IFWIXUAKWMHISZ-AWEZNQCLSA-N -1 3 249.285 2.129 20 30 BEEDHM O=c1cc(-c2ccccc2C=N[O-])cc[nH]1 ZINC001243430412 984935740 /nfs/dbraw/zinc/93/57/40/984935740.db2.gz QPMDYFLVCOBTNL-UHFFFAOYSA-N -1 3 214.224 2.262 20 30 BEEDHM N#C[C@@H]1CC=C(Nc2cc(=O)[n-]c(=S)[nH]2)CC1 ZINC001212856124 985235534 /nfs/dbraw/zinc/23/55/34/985235534.db2.gz JMPSFCSNTVZEFI-SSDOTTSWSA-N -1 3 248.311 2.090 20 30 BEEDHM N#C[C@H]1CC=C(Nc2cc(=O)[n-]c(=S)[nH]2)CC1 ZINC001212856125 985237537 /nfs/dbraw/zinc/23/75/37/985237537.db2.gz JMPSFCSNTVZEFI-ZETCQYMHSA-N -1 3 248.311 2.090 20 30 BEEDHM COc1cc([O-])ccc1-c1cncc(F)c1C#N ZINC001243982549 985716653 /nfs/dbraw/zinc/71/66/53/985716653.db2.gz IEFDJSIQGXUTSY-UHFFFAOYSA-N -1 3 244.225 2.474 20 30 BEEDHM Cc1ccc([O-])c(-c2cc(C#N)nc(C)n2)c1 ZINC001244402788 986063601 /nfs/dbraw/zinc/06/36/01/986063601.db2.gz HYYXTBSFKBNZQE-UHFFFAOYSA-N -1 3 225.251 2.338 20 30 BEEDHM Cc1cc(-c2nccnc2CC#N)cc([O-])c1F ZINC001244507064 986205512 /nfs/dbraw/zinc/20/55/12/986205512.db2.gz SSRHYLKWWYUAMF-UHFFFAOYSA-N -1 3 243.241 2.363 20 30 BEEDHM COc1ncc(-c2nc(C)ccc2C#N)cc1[O-] ZINC001244843741 986390770 /nfs/dbraw/zinc/39/07/70/986390770.db2.gz LXNPEXSBMVSACC-UHFFFAOYSA-N -1 3 241.250 2.038 20 30 BEEDHM N#Cc1cc(-c2c([O-])cccc2F)ccn1 ZINC001245652587 987019129 /nfs/dbraw/zinc/01/91/29/987019129.db2.gz FIVTYTZUPNKWEU-UHFFFAOYSA-N -1 3 214.199 2.465 20 30 BEEDHM C=C/C(=N\COC)c1c([O-])cccc1F ZINC001245652725 987020364 /nfs/dbraw/zinc/02/03/64/987020364.db2.gz HJGGUNIWBRBFDV-UKTHLTGXSA-N -1 3 209.220 2.110 20 30 BEEDHM CC(C)(C)O[N-]C(=O)CCCCCC#N ZINC001323292415 988489432 /nfs/dbraw/zinc/48/94/32/988489432.db2.gz RCFDCIMNORVGED-UHFFFAOYSA-N -1 3 212.293 2.307 20 30 BEEDHM CC(C)(CCN(CCC#N)CC1CC1)C(=O)[O-] ZINC001590671186 990381397 /nfs/dbraw/zinc/38/13/97/990381397.db2.gz WMCRDPYOEVXJSD-UHFFFAOYSA-N -1 3 238.331 2.113 20 30 BEEDHM Cc1nocc1[N-]C(=O)c1ccc(C#N)s1 ZINC001530846027 990382186 /nfs/dbraw/zinc/38/21/86/990382186.db2.gz AHSQRUHCSDWURW-UHFFFAOYSA-N -1 3 233.252 2.169 20 30 BEEDHM CCCCCCN([O-])C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001559035481 991023303 /nfs/dbraw/zinc/02/33/03/991023303.db2.gz RZKLBEHBRARHHQ-IJLUTSLNSA-N -1 3 241.331 2.210 20 30 BEEDHM CCCCCCCC[N-]S(=O)(=O)C(F)F ZINC001259960116 992063097 /nfs/dbraw/zinc/06/30/97/992063097.db2.gz JHZYUCWDKXWXKE-UHFFFAOYSA-N -1 3 243.319 2.489 20 30 BEEDHM CN(Cc1cccc(C(=O)[O-])c1C#N)C(C)(C)C ZINC001598525742 992718742 /nfs/dbraw/zinc/71/87/42/992718742.db2.gz XCUSKSJKWDRFJW-UHFFFAOYSA-N -1 3 246.310 2.487 20 30 BEEDHM CN(C)c1ccc(-c2ccc([O-])c(C#N)c2)cn1 ZINC000385541144 993664238 /nfs/dbraw/zinc/66/42/38/993664238.db2.gz MNEGSDVNYFSURC-UHFFFAOYSA-N -1 3 239.278 2.392 20 30 BEEDHM C=C(C)CCNc1cccc(F)c1-c1nnn[n-]1 ZINC001609051183 1170223583 /nfs/dbraw/zinc/22/35/83/1170223583.db2.gz QLSPVXQXSHJKKZ-UHFFFAOYSA-N -1 3 247.277 2.384 20 30 BEEDHM C=C(C)CCNc1cccc(F)c1-c1nn[n-]n1 ZINC001609051183 1170223588 /nfs/dbraw/zinc/22/35/88/1170223588.db2.gz QLSPVXQXSHJKKZ-UHFFFAOYSA-N -1 3 247.277 2.384 20 30 BEEDHM C=CCO[N-]C(=O)c1c(Cl)cncc1Cl ZINC001627707328 1171187046 /nfs/dbraw/zinc/18/70/46/1171187046.db2.gz KBDRZUNVVQWMQZ-UHFFFAOYSA-N -1 3 247.081 2.236 20 30 BEEDHM C[C@@H](C#N)C(=O)Nc1c([O-])cccc1Cl ZINC001636555638 1171850187 /nfs/dbraw/zinc/85/01/87/1171850187.db2.gz LPKLROLKEWGMEB-LURJTMIESA-N -1 3 224.647 2.144 20 30 BEEDHM N#CC1(C(=O)Nc2ncccc2[O-])CCCCC1 ZINC000180995344 136218439 /nfs/dbraw/zinc/21/84/39/136218439.db2.gz JYVRPKQWLSVGAG-UHFFFAOYSA-N -1 3 245.282 2.200 20 30 BEEDHM C=C(CC)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001638113111 1171996223 /nfs/dbraw/zinc/99/62/23/1171996223.db2.gz BNBIUZYZEIVMGD-UHFFFAOYSA-N -1 3 233.267 2.500 20 30 BEEDHM C=C(C)CN(C)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192770483 538997755 /nfs/dbraw/zinc/99/77/55/538997755.db2.gz CCCXNTDHZSPLGG-SNVBAGLBSA-N -1 3 221.304 2.060 20 30 BEEDHM C=C(CC)CNC(=O)c1ccc([O-])c(C)c1 ZINC000313488882 259335734 /nfs/dbraw/zinc/33/57/34/259335734.db2.gz BAHDQNSLDCOHEX-UHFFFAOYSA-N -1 3 219.284 2.397 20 30 BEEDHM C=CC1CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000192585293 365762714 /nfs/dbraw/zinc/76/27/14/365762714.db2.gz DVIXHYHNNHLVOD-NSHDSACASA-N -1 3 247.342 2.450 20 30 BEEDHM N#CC1(CC(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000590317821 346975788 /nfs/dbraw/zinc/97/57/88/346975788.db2.gz MRBWFACDBMSAHS-UHFFFAOYSA-N -1 3 234.230 2.164 20 30 BEEDHM Cc1cccc([O-])c1NC(=O)CC1(C#N)CC1 ZINC000590320565 346982015 /nfs/dbraw/zinc/98/20/15/346982015.db2.gz PBFCXJGVUAQWPP-UHFFFAOYSA-N -1 3 230.267 2.333 20 30 BEEDHM C=CC[C@@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000625698554 344042940 /nfs/dbraw/zinc/04/29/40/344042940.db2.gz NYITYOOVPDOKQM-SNVBAGLBSA-N -1 3 219.284 2.395 20 30 BEEDHM N#CCCCCC(=O)Nc1ccccc1[O-] ZINC000238727782 344999814 /nfs/dbraw/zinc/99/98/14/344999814.db2.gz IWUQGECTRWGFPC-UHFFFAOYSA-N -1 3 218.256 2.415 20 30 BEEDHM C#C[C@@H](C)NCc1c([O-])cccc1Cl ZINC000166429364 166211617 /nfs/dbraw/zinc/21/16/17/166211617.db2.gz JJHVEUBNLQYDJU-MRVPVSSYSA-N -1 3 209.676 2.157 20 30 BEEDHM CC(C)(C#N)CC(=O)Nc1cc(F)ccc1[O-] ZINC000278785662 133554091 /nfs/dbraw/zinc/55/40/91/133554091.db2.gz HRORMFXBVZGWPI-UHFFFAOYSA-N -1 3 236.246 2.410 20 30 BEEDHM N#CC1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186201877 346497249 /nfs/dbraw/zinc/49/72/49/346497249.db2.gz FYYTVNDVVRGTID-UHFFFAOYSA-N -1 3 234.274 2.267 20 30 BEEDHM CCO[N-]C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000184434932 347163271 /nfs/dbraw/zinc/16/32/71/347163271.db2.gz KSHLONPWHQDRDM-VIFPVBQESA-N -1 3 249.270 2.050 20 30 BEEDHM CCCCCCCn1cc(Cl)c(=O)[n-]c1=O ZINC000117660563 347194305 /nfs/dbraw/zinc/19/43/05/347194305.db2.gz SIIWTLYXGMNSEJ-UHFFFAOYSA-N -1 3 244.722 2.160 20 30 BEEDHM C=C(C)c1ccc(S([O-])=CC(=O)OC)cc1 ZINC000592989436 347837661 /nfs/dbraw/zinc/83/76/61/347837661.db2.gz ORLULXNODZTMOK-INIZCTEOSA-N -1 3 238.308 2.000 20 30 BEEDHM C[C@@H](F)CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596242901 348485074 /nfs/dbraw/zinc/48/50/74/348485074.db2.gz CYMUAQSFNCWOCL-RXMQYKEDSA-N -1 3 233.699 2.250 20 30 BEEDHM C[C@H](F)CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596242902 348485345 /nfs/dbraw/zinc/48/53/45/348485345.db2.gz CYMUAQSFNCWOCL-YFKPBYRVSA-N -1 3 233.699 2.250 20 30 BEEDHM CC1(CN=c2[n-]c(C#N)c(Cl)s2)CC1 ZINC000596149331 348452149 /nfs/dbraw/zinc/45/21/49/348452149.db2.gz LTCFXJGWXKZRBZ-UHFFFAOYSA-N -1 3 227.720 2.302 20 30 BEEDHM Cc1cccc(C(=O)N2CC[C@@](C)(C#N)C2)c1[O-] ZINC000598409150 348965247 /nfs/dbraw/zinc/96/52/47/348965247.db2.gz FQBGJARBALATHV-AWEZNQCLSA-N -1 3 244.294 2.076 20 30 BEEDHM Cc1ccc(C(=O)N2CC[C@@](C)(C#N)C2)c([O-])c1 ZINC000598417646 348971396 /nfs/dbraw/zinc/97/13/96/348971396.db2.gz KUNNAAPGTYLLIQ-AWEZNQCLSA-N -1 3 244.294 2.076 20 30 BEEDHM CCN(C[C@H](C)C#N)C(=O)c1c(C)cccc1[O-] ZINC000599083507 349096464 /nfs/dbraw/zinc/09/64/64/349096464.db2.gz OFGGONJABKBHCW-SNVBAGLBSA-N -1 3 246.310 2.322 20 30 BEEDHM Cc1cccc([O-])c1C(=O)NCCCCC#N ZINC000599342835 349152898 /nfs/dbraw/zinc/15/28/98/349152898.db2.gz RPBKEHXTVIZBRN-UHFFFAOYSA-N -1 3 232.283 2.124 20 30 BEEDHM CCN(C(=O)c1c(C)cccc1[O-])[C@H](C)C#N ZINC000600109227 349288904 /nfs/dbraw/zinc/28/89/04/349288904.db2.gz HZGOQKXVKUOFNW-SNVBAGLBSA-N -1 3 232.283 2.075 20 30 BEEDHM Cc1cccc([O-])c1C(=O)NCC1(CC#N)CC1 ZINC000599874199 349265919 /nfs/dbraw/zinc/26/59/19/349265919.db2.gz UAPLPNOWIXJRGI-UHFFFAOYSA-N -1 3 244.294 2.124 20 30 BEEDHM Cc1cccc([O-])c1C(=O)N[C@]1(C#N)CC1(C)C ZINC000599955426 349274007 /nfs/dbraw/zinc/27/40/07/349274007.db2.gz MPSISVNBPQOUIT-AWEZNQCLSA-N -1 3 244.294 2.123 20 30 BEEDHM CCc1[n-]n([C@H](C)CC#N)c(=O)c1C(C)C ZINC000601936165 349390258 /nfs/dbraw/zinc/39/02/58/349390258.db2.gz QEXDUVFDAUWMMA-KOLCDFICSA-N -1 3 221.304 2.169 20 30 BEEDHM CC1(C#N)CCN(C(=O)c2ccccc2[O-])CC1 ZINC000227516385 350499064 /nfs/dbraw/zinc/49/90/64/350499064.db2.gz JQBMFSWIIDMHRB-UHFFFAOYSA-N -1 3 244.294 2.158 20 30 BEEDHM Cc1ccc(C(=O)N(C)[C@@H](C)CC#N)c([O-])c1C ZINC000271273904 351410683 /nfs/dbraw/zinc/41/06/83/351410683.db2.gz MXXSXDZUZQKIMM-JTQLQIEISA-N -1 3 246.310 2.383 20 30 BEEDHM C=C(C)C(C)(C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000577622911 366022891 /nfs/dbraw/zinc/02/28/91/366022891.db2.gz XCIBUXZZICPFCF-UHFFFAOYSA-N -1 3 243.310 2.297 20 30 BEEDHM CCc1ccc(C(=O)NC2(C#N)CCC2)c([O-])c1 ZINC000276260243 351613378 /nfs/dbraw/zinc/61/33/78/351613378.db2.gz UBKIYULRDFNVIL-UHFFFAOYSA-N -1 3 244.294 2.131 20 30 BEEDHM CCc1ccc(C(=O)N(CC)CCC#N)c([O-])c1 ZINC000276130473 351611136 /nfs/dbraw/zinc/61/11/36/351611136.db2.gz BEBTXRDJEFUCBW-UHFFFAOYSA-N -1 3 246.310 2.330 20 30 BEEDHM C[C@@H]1COCC[C@H]1C/N=C/c1ccccc1[O-] ZINC000285269669 352033106 /nfs/dbraw/zinc/03/31/06/352033106.db2.gz HVMSJSDNVWIITP-BGAHDCEISA-N -1 3 233.311 2.484 20 30 BEEDHM CC[C@H](C/N=C/c1ccccc1[O-])OC ZINC000290559693 352230748 /nfs/dbraw/zinc/23/07/48/352230748.db2.gz NGOCXVGKIGIVGL-KAQJVSAMSA-N -1 3 207.273 2.236 20 30 BEEDHM CC[C@@H](C/N=C/c1ccccc1[O-])OC ZINC000290559696 352230802 /nfs/dbraw/zinc/23/08/02/352230802.db2.gz NGOCXVGKIGIVGL-ZWSXMNCCSA-N -1 3 207.273 2.236 20 30 BEEDHM Cc1nnc(CC/N=C/c2ccccc2[O-])s1 ZINC000290660560 352233893 /nfs/dbraw/zinc/23/38/93/352233893.db2.gz XQGMQXNRWUXKCA-MDWZMJQESA-N -1 3 247.323 2.214 20 30 BEEDHM CCCN(CC#N)C(=O)c1ccc([O-])c(CC)c1 ZINC000291437174 352276244 /nfs/dbraw/zinc/27/62/44/352276244.db2.gz IHCNURGZHQFVSS-UHFFFAOYSA-N -1 3 246.310 2.330 20 30 BEEDHM Cc1cccc(C(=O)N[C@@]2(C#N)CC2(C)C)c1[O-] ZINC000291518396 352278505 /nfs/dbraw/zinc/27/85/05/352278505.db2.gz XRGFOEQOGXWIDD-CQSZACIVSA-N -1 3 244.294 2.123 20 30 BEEDHM C=CCN(C(=O)c1ccccc1[O-])C1CC1 ZINC000131381482 353367598 /nfs/dbraw/zinc/36/75/98/353367598.db2.gz VYYWUVZKUMXTJZ-UHFFFAOYSA-N -1 3 217.268 2.183 20 30 BEEDHM C=CCN(C)CCc1ccccc1C(=O)[O-] ZINC000123221253 324101908 /nfs/dbraw/zinc/10/19/08/324101908.db2.gz DMFNGGPNMZJSMU-UHFFFAOYSA-N -1 3 219.284 2.045 20 30 BEEDHM C=CC[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182463092 353478315 /nfs/dbraw/zinc/47/83/15/353478315.db2.gz UCSRHOBIIBWCGO-SECBINFHSA-N -1 3 235.283 2.101 20 30 BEEDHM C#CCCCC(=O)[N-]OCc1ccccc1 ZINC000192056013 353534101 /nfs/dbraw/zinc/53/41/01/353534101.db2.gz PDIDVRWJEORNHI-UHFFFAOYSA-N -1 3 217.268 2.038 20 30 BEEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccco1 ZINC000292844035 353726590 /nfs/dbraw/zinc/72/65/90/353726590.db2.gz ZZMZUWDAOTYYQN-UHFFFAOYSA-N -1 3 215.199 2.107 20 30 BEEDHM CC[C@@H](C)CO[N-]C(=O)C#Cc1ccccc1 ZINC000293690649 353754375 /nfs/dbraw/zinc/75/43/75/353754375.db2.gz KCMACDYJULIQBD-GFCCVEGCSA-N -1 3 231.295 2.132 20 30 BEEDHM C=CCC(F)(F)C(=O)Nc1nc(C)ccc1[O-] ZINC000293775265 353757025 /nfs/dbraw/zinc/75/70/25/353757025.db2.gz ARCRAHQZPVFADL-UHFFFAOYSA-N -1 3 242.225 2.246 20 30 BEEDHM C#CCOc1ccccc1NC([O-])=NOC(C)C ZINC000296919487 353837602 /nfs/dbraw/zinc/83/76/02/353837602.db2.gz POBITCQCQHNXLG-UHFFFAOYSA-N -1 3 248.282 2.160 20 30 BEEDHM C#CCOc1ccccc1NC(=O)[N-]OC(C)C ZINC000296919487 353837605 /nfs/dbraw/zinc/83/76/05/353837605.db2.gz POBITCQCQHNXLG-UHFFFAOYSA-N -1 3 248.282 2.160 20 30 BEEDHM N#Cc1cc(NC(=O)[N-]OCC2CC2)ccc1F ZINC000292849678 181090539 /nfs/dbraw/zinc/09/05/39/181090539.db2.gz FXUGVGQHYTWHOC-UHFFFAOYSA-N -1 3 249.245 2.160 20 30 BEEDHM N#Cc1ccc(C(=O)Nc2ccc([O-])cc2F)o1 ZINC000336337847 181101582 /nfs/dbraw/zinc/10/15/82/181101582.db2.gz RQCKWHJAILRMMO-UHFFFAOYSA-N -1 3 246.197 2.248 20 30 BEEDHM N#Cc1nccnc1Sc1cccc([O-])c1 ZINC000126665260 181175382 /nfs/dbraw/zinc/17/53/82/181175382.db2.gz XJXSCOSJKRHXOL-UHFFFAOYSA-N -1 3 229.264 2.205 20 30 BEEDHM C=CCn1c(SCC[C@H](C)F)n[n-]c1=O ZINC000349236761 355372954 /nfs/dbraw/zinc/37/29/54/355372954.db2.gz YJBSXPPOHBTWGL-ZETCQYMHSA-N -1 3 231.296 2.010 20 30 BEEDHM Cc1occc1C([O-])=C(C#N)c1ccccn1 ZINC000041493197 358509762 /nfs/dbraw/zinc/50/97/62/358509762.db2.gz UGGBATUODIRMAB-LLVKDONJSA-N -1 3 226.235 2.473 20 30 BEEDHM C[C@H](C#N)CN(C(=O)c1cccc([O-])c1)C1CC1 ZINC000357370836 134182879 /nfs/dbraw/zinc/18/28/79/134182879.db2.gz IKQGYJUBKGALLY-SNVBAGLBSA-N -1 3 244.294 2.156 20 30 BEEDHM CC[C@@H](C#N)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000271248714 535393468 /nfs/dbraw/zinc/39/34/68/535393468.db2.gz ITIZIHQHKJCTER-JTQLQIEISA-N -1 3 232.283 2.041 20 30 BEEDHM CC[C@@H](C#N)NC(=O)c1cc([O-])ccc1Cl ZINC000234023412 535394140 /nfs/dbraw/zinc/39/41/40/535394140.db2.gz LPYOYXWYTOPEDT-ZETCQYMHSA-N -1 3 238.674 2.078 20 30 BEEDHM CC[C@](C)(C#N)NC(=O)c1ccc(C)cc1[O-] ZINC000040357411 358235022 /nfs/dbraw/zinc/23/50/22/358235022.db2.gz NMMMVCGVCZFFBP-CYBMUJFWSA-N -1 3 232.283 2.123 20 30 BEEDHM C=C(C)C[C@H](C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351371514 366518768 /nfs/dbraw/zinc/51/87/68/366518768.db2.gz NLRSGKPNLOSSRK-QMMMGPOBSA-N -1 3 246.270 2.302 20 30 BEEDHM Cc1ccc([O-])c(CN2CCC[C@@](C)(C#N)C2)n1 ZINC000612406535 359833232 /nfs/dbraw/zinc/83/32/32/359833232.db2.gz PCMROPATSWQEEJ-AWEZNQCLSA-N -1 3 245.326 2.221 20 30 BEEDHM C=CC[C@H]1CCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000629366444 361021510 /nfs/dbraw/zinc/02/15/10/361021510.db2.gz NCDCBFRXBRASJO-JTQLQIEISA-N -1 3 235.283 2.376 20 30 BEEDHM C=C(C)C[C@@H](C)C(=O)Nc1cccc2n[n-]nc21 ZINC000640380941 361189435 /nfs/dbraw/zinc/18/94/35/361189435.db2.gz ZOSGHGXSIRQLPE-SECBINFHSA-N -1 3 244.298 2.499 20 30 BEEDHM CC#CCCNC(=O)c1ccc(CC)cc1[O-] ZINC000436839578 201339356 /nfs/dbraw/zinc/33/93/56/201339356.db2.gz OCCYXTCKSPBYIP-UHFFFAOYSA-N -1 3 231.295 2.098 20 30 BEEDHM C=C[C@](C)(CC)C(=O)N=c1cc2ccccn2[n-]1 ZINC000576131454 365497420 /nfs/dbraw/zinc/49/74/20/365497420.db2.gz QKPBPNVCGDJGIW-CQSZACIVSA-N -1 3 243.310 2.297 20 30 BEEDHM C=CCN(C)Cc1cc(C(=O)[O-])sc1C ZINC000383777392 367652918 /nfs/dbraw/zinc/65/29/18/367652918.db2.gz WGHHWDVTTVXDKC-UHFFFAOYSA-N -1 3 225.313 2.373 20 30 BEEDHM C=C(C)CN(CC)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459311746 203256038 /nfs/dbraw/zinc/25/60/38/203256038.db2.gz SWEVYIADAVBZOW-UHFFFAOYSA-N -1 3 247.342 2.458 20 30 BEEDHM C=CCCC(C)(C)NC(=O)Cc1cncc([O-])c1 ZINC000620856157 370009948 /nfs/dbraw/zinc/00/99/48/370009948.db2.gz MRLWMGZIKYPBMO-UHFFFAOYSA-N -1 3 248.326 2.191 20 30 BEEDHM CC(C)O[N-]C(=O)/C=C/c1cccc(C#N)c1 ZINC000393345524 383835391 /nfs/dbraw/zinc/83/53/91/383835391.db2.gz JUWNLXZEQOSVHW-VOTSOKGWSA-N -1 3 230.267 2.028 20 30 BEEDHM C[C@@H]([N-]C(=O)C(C)(F)F)c1ccc(C#N)cc1 ZINC000288466046 383893861 /nfs/dbraw/zinc/89/38/61/383893861.db2.gz FHMSZRWUVSFONM-MRVPVSSYSA-N -1 3 238.237 2.391 20 30 BEEDHM C=C(CC)CNC(=O)c1ccc(OC)cc1[O-] ZINC000313477299 384414182 /nfs/dbraw/zinc/41/41/82/384414182.db2.gz CEARQYGANUMTRP-UHFFFAOYSA-N -1 3 235.283 2.097 20 30 BEEDHM CC(C)OC(=O)[C@H](C)C/N=C/c1ccccc1[O-] ZINC000173989717 384741978 /nfs/dbraw/zinc/74/19/78/384741978.db2.gz UJVKSWXFQGHLRB-BTAWCLGRSA-N -1 3 249.310 2.399 20 30 BEEDHM CC[C@@H](C#N)Sc1nnc(-c2ccccn2)[n-]1 ZINC000127740184 384941972 /nfs/dbraw/zinc/94/19/72/384941972.db2.gz SROYCJIXOOPTAQ-QMMMGPOBSA-N -1 3 245.311 2.261 20 30 BEEDHM CC[C@@H](C#N)Sc1n[n-]c(-c2ccccn2)n1 ZINC000127740184 384941984 /nfs/dbraw/zinc/94/19/84/384941984.db2.gz SROYCJIXOOPTAQ-QMMMGPOBSA-N -1 3 245.311 2.261 20 30 BEEDHM CC1(C/N=C/c2ccc(O)c([O-])c2O)CCC1 ZINC000175899688 384979249 /nfs/dbraw/zinc/97/92/49/384979249.db2.gz YOVGDAFZGRNCQQ-VGOFMYFVSA-N -1 3 235.283 2.413 20 30 BEEDHM CCC1(C/N=C/c2ccc(O)c([O-])c2O)CC1 ZINC000175898375 384980190 /nfs/dbraw/zinc/98/01/90/384980190.db2.gz XFXWSQOPOHSEBP-VGOFMYFVSA-N -1 3 235.283 2.413 20 30 BEEDHM C=CCN(C(=O)c1ccc([O-])c(C)c1)C1CC1 ZINC000227057960 385085345 /nfs/dbraw/zinc/08/53/45/385085345.db2.gz AFDHSEAMWXYOKR-UHFFFAOYSA-N -1 3 231.295 2.491 20 30 BEEDHM C=C[C@H](CC(=O)[N-]OC)c1ccccc1 ZINC000129573863 385161296 /nfs/dbraw/zinc/16/12/96/385161296.db2.gz MXDMRCZUUPMJPV-SNVBAGLBSA-N -1 3 205.257 2.024 20 30 BEEDHM C#CCN(C(=O)c1ccc(CC)cc1[O-])C1CC1 ZINC000491240549 385224853 /nfs/dbraw/zinc/22/48/53/385224853.db2.gz AOTNHGICOCCYLO-UHFFFAOYSA-N -1 3 243.306 2.192 20 30 BEEDHM C#CCO[N-]C(=O)/C=C\c1cc2ccccc2o1 ZINC000493490612 385580475 /nfs/dbraw/zinc/58/04/75/385580475.db2.gz WPVFOWJUVATRRW-FPLPWBNLSA-N -1 3 241.246 2.127 20 30 BEEDHM CCN(CCC#N)Cc1cc([O-])cc(F)c1 ZINC000274624073 386132806 /nfs/dbraw/zinc/13/28/06/386132806.db2.gz XMQDMBLTFLVIEW-UHFFFAOYSA-N -1 3 222.263 2.267 20 30 BEEDHM C=CCCCN(C)C(=O)c1c([O-])cccc1O ZINC000092122539 386334453 /nfs/dbraw/zinc/33/44/53/386334453.db2.gz LEXGNLCRKAEJAF-UHFFFAOYSA-N -1 3 235.283 2.136 20 30 BEEDHM C=C(C)CN(CC)C(=O)c1cc(OC)ccc1[O-] ZINC000050683098 386724654 /nfs/dbraw/zinc/72/46/54/386724654.db2.gz ZTYOOUNVNPVREG-UHFFFAOYSA-N -1 3 249.310 2.439 20 30 BEEDHM CCc1ccc([O-])c(C(=O)N(C)C[C@@H](C)C#N)c1 ZINC000330606463 386784695 /nfs/dbraw/zinc/78/46/95/386784695.db2.gz 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248.326 2.191 20 30 BEEDHM C=C(C)CN(CC)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192534079 323223315 /nfs/dbraw/zinc/22/33/15/323223315.db2.gz WOTYICONMVJGHL-LLVKDONJSA-N -1 3 235.331 2.450 20 30 BEEDHM C=C(C)CN(C)Cc1ccc(C(=O)[O-])s1 ZINC000382474969 487542959 /nfs/dbraw/zinc/54/29/59/487542959.db2.gz GXSQAPMHGGLLHC-UHFFFAOYSA-N -1 3 225.313 2.454 20 30 BEEDHM C=CCCOCC(=O)Nc1ccc([O-])cc1F ZINC000679920279 487488176 /nfs/dbraw/zinc/48/81/76/487488176.db2.gz NNYCEOKXTKYRQO-UHFFFAOYSA-N -1 3 239.246 2.063 20 30 BEEDHM C[C@H](CCc1ccccc1)CC(=O)N[O-] ZINC000671995924 488234092 /nfs/dbraw/zinc/23/40/92/488234092.db2.gz MYDWGQOBJIUSFA-SNVBAGLBSA-N -1 3 207.273 2.151 20 30 BEEDHM C=CC1CCN(Cc2nc(CC)cc(=O)[n-]2)CC1 ZINC000120688437 534529568 /nfs/dbraw/zinc/52/95/68/534529568.db2.gz VHVXWBNLWPCUBL-UHFFFAOYSA-N -1 3 247.342 2.143 20 30 BEEDHM C=CCCc1ccccc1NC(=O)c1nc[n-]n1 ZINC000337527228 534808588 /nfs/dbraw/zinc/80/85/88/534808588.db2.gz BYCJLEWXGWTCQZ-UHFFFAOYSA-N -1 3 242.282 2.176 20 30 BEEDHM C=CC[C@H](CC)NC(=O)/C=C\c1cncc([O-])c1 ZINC000492643800 527142940 /nfs/dbraw/zinc/14/29/40/527142940.db2.gz JRTPNRULUWWQNU-DGMVEKRQSA-N -1 3 246.310 2.271 20 30 BEEDHM C#C[C@@H](C)N(C)C(=O)c1ccc([O-])c(CC)c1 ZINC000491765371 527210352 /nfs/dbraw/zinc/21/03/52/527210352.db2.gz CQRABQCNOMUJJY-SNVBAGLBSA-N -1 3 231.295 2.048 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)/C=C\c1scnc1C ZINC000493660311 527418767 /nfs/dbraw/zinc/41/87/67/527418767.db2.gz WJWAPDRBNHESNN-RPSMYOMKSA-N -1 3 238.312 2.087 20 30 BEEDHM [O-]c1c(O)cccc1C=NOCC1CCC1 ZINC000853440170 588743062 /nfs/dbraw/zinc/74/30/62/588743062.db2.gz WDRRMIPXXYWNQY-UHFFFAOYSA-N -1 3 221.256 2.248 20 30 BEEDHM C#C[C@](C)(CC)NC(=O)c1ccc([O-])c(CC)c1 ZINC000854703761 588803756 /nfs/dbraw/zinc/80/37/56/588803756.db2.gz DBPIPIYLAOPJOF-OAHLLOKOSA-N -1 3 245.322 2.486 20 30 BEEDHM C=C(C)CO[N-]C(=O)/C=C(\C)c1ccco1 ZINC000855026932 588820960 /nfs/dbraw/zinc/82/09/60/588820960.db2.gz UHMWSUKIOIKZFN-JXMROGBWSA-N -1 3 221.256 2.307 20 30 BEEDHM 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218.256 2.233 20 30 BEEDHM N#Cc1ccc(C=Cc2nccc(=O)[n-]2)s1 ZINC000764440847 585465693 /nfs/dbraw/zinc/46/56/93/585465693.db2.gz BKNYTVFLJSRWKN-ARJAWSKDSA-N -1 3 229.264 2.286 20 30 BEEDHM Cc1cc(=O)[n-]c(CSCCCCC#N)n1 ZINC000764653624 585470143 /nfs/dbraw/zinc/47/01/43/585470143.db2.gz ISSHBUNQBNAPLN-UHFFFAOYSA-N -1 3 237.328 2.418 20 30 BEEDHM CC#CCCOC(=O)c1cc([O-])cs1 ZINC000765475464 585487421 /nfs/dbraw/zinc/48/74/21/585487421.db2.gz ZPCUJOGYLMJINS-UHFFFAOYSA-N -1 3 210.254 2.024 20 30 BEEDHM CC(C)CNN=Cc1cc(F)ccc1[O-] ZINC000771566780 585596492 /nfs/dbraw/zinc/59/64/92/585596492.db2.gz JFPGBKGTVMEURV-UHFFFAOYSA-N -1 3 210.252 2.111 20 30 BEEDHM C#C[C@@H](C)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000772974458 585628768 /nfs/dbraw/zinc/62/87/68/585628768.db2.gz FIVCLBPFRULZGZ-MRVPVSSYSA-N -1 3 241.212 2.055 20 30 BEEDHM C[C@@H]1C[C@@H](C)CCC1=NN=c1cc[n-]n1C ZINC000774409362 585657433 /nfs/dbraw/zinc/65/74/33/585657433.db2.gz BVDDGEUNPGPBKO-VHSXEESVSA-N -1 3 220.320 2.066 20 30 BEEDHM 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CCc1ccc(C(C)=NN=c2cc[n-]n2C)s1 ZINC000774414827 585658091 /nfs/dbraw/zinc/65/80/91/585658091.db2.gz WJDCGFWDUOBVJC-UHFFFAOYSA-N -1 3 248.355 2.302 20 30 BEEDHM CC(=NOC1CCOCC1)c1sccc1[O-] ZINC000774442242 585659264 /nfs/dbraw/zinc/65/92/64/585659264.db2.gz PCOIOPPRHVRMRH-UHFFFAOYSA-N -1 3 241.312 2.373 20 30 BEEDHM CC(=NOC1CCOCC1)c1ccc([O-])cc1 ZINC000774443915 585659409 /nfs/dbraw/zinc/65/94/09/585659409.db2.gz HYFGXGMBRGUANV-UHFFFAOYSA-N -1 3 235.283 2.312 20 30 BEEDHM CCC(CC)CNN=Cc1ccc([O-])cn1 ZINC000774471531 585659881 /nfs/dbraw/zinc/65/98/81/585659881.db2.gz LCPFKQGAWPCBTD-UHFFFAOYSA-N -1 3 221.304 2.147 20 30 BEEDHM [O-]c1ccc2c(c1)OCC2=NOC1CCCC1 ZINC000774602255 585661815 /nfs/dbraw/zinc/66/18/15/585661815.db2.gz GWASWMAAUWKSEZ-UHFFFAOYSA-N -1 3 233.267 2.448 20 30 BEEDHM N#Cc1cccc(CC(=O)[N-]OC2CCCC2)c1 ZINC000774874751 585668210 /nfs/dbraw/zinc/66/82/10/585668210.db2.gz MMHMPOUFSBNHTK-UHFFFAOYSA-N -1 3 244.294 2.091 20 30 BEEDHM Cc1ccc([O-])c(C=NOCCC(F)(F)F)n1 ZINC000777461515 585713264 /nfs/dbraw/zinc/71/32/64/585713264.db2.gz ZERPRKYGCVGORV-UHFFFAOYSA-N -1 3 248.204 2.399 20 30 BEEDHM C=CCOCC/N=C/c1ccc(OCC)cc1[O-] ZINC000779706427 585759278 /nfs/dbraw/zinc/75/92/78/585759278.db2.gz CYOHNMJWYZXHQC-RVDMUPIBSA-N -1 3 249.310 2.412 20 30 BEEDHM Cc1nnc(C/N=C/c2ccccc2[O-])s1 ZINC000779706266 585759374 /nfs/dbraw/zinc/75/93/74/585759374.db2.gz ASEQRCFBURKXRX-WUXMJOGZSA-N -1 3 233.296 2.171 20 30 BEEDHM C[C@@H](C(=O)N[O-])c1ccccc1C(F)(F)F ZINC000782169088 585808609 /nfs/dbraw/zinc/80/86/09/585808609.db2.gz CUJKVDOKOCAMGU-ZCFIWIBFSA-N -1 3 233.189 2.314 20 30 BEEDHM O=C(CCc1ccccc1OC(F)(F)F)N[O-] ZINC000782170544 585808856 /nfs/dbraw/zinc/80/88/56/585808856.db2.gz AKRHSPZQVVJBNG-UHFFFAOYSA-N -1 3 249.188 2.023 20 30 BEEDHM O=C(N[O-])[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000782169177 585808879 /nfs/dbraw/zinc/80/88/79/585808879.db2.gz HUOHQYSHEYMMFF-CHWSQXEVSA-N -1 3 227.263 2.449 20 30 BEEDHM C[C@@H](Cc1ccccc1Cl)C(=O)N[O-] ZINC000782170080 585808906 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CCc1cccc(C(=O)N(C)[C@H](C)CC#N)c1[O-] ZINC000094107594 345680351 /nfs/dbraw/zinc/68/03/51/345680351.db2.gz SENMYUJQIWPJHP-SNVBAGLBSA-N -1 3 246.310 2.329 20 30 BEEDHM CC#CCN(C)C(=O)c1cc(SC)ccc1[O-] ZINC000615407653 365808892 /nfs/dbraw/zinc/80/88/92/365808892.db2.gz WVGVQTFPRQAPKE-UHFFFAOYSA-N -1 3 249.335 2.209 20 30 BEEDHM C[C@@H](CC#N)N(C)Cc1cc([O-])cc(F)c1 ZINC000186214484 347228063 /nfs/dbraw/zinc/22/80/63/347228063.db2.gz SGZFYEGMFRINQA-VIFPVBQESA-N -1 3 222.263 2.265 20 30 BEEDHM N#CCCN(CCC#N)Cc1cc([O-])cc(F)c1 ZINC000187359040 347253909 /nfs/dbraw/zinc/25/39/09/347253909.db2.gz UVCJIGOKRPILER-UHFFFAOYSA-N -1 3 247.273 2.161 20 30 BEEDHM C=CCCN(C)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000279010402 166259697 /nfs/dbraw/zinc/25/96/97/166259697.db2.gz AEOMYDKWBQDVOC-JTQLQIEISA-N -1 3 221.304 2.060 20 30 BEEDHM CC[C@H](C#N)C(=O)Nc1cc(F)ccc1[O-] ZINC000593555243 347911081 /nfs/dbraw/zinc/91/10/81/347911081.db2.gz DENMJMQVMSNKPH-SSDOTTSWSA-N -1 3 222.219 2.020 20 30 BEEDHM 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BEEDHM N#Cc1ccc(C(=O)Nc2ccccc2[O-])o1 ZINC000310450141 181101563 /nfs/dbraw/zinc/10/15/63/181101563.db2.gz VIURJHKYZUUXCO-UHFFFAOYSA-N -1 3 228.207 2.109 20 30 BEEDHM Cc1nc(C([O-])=C(C#N)c2ccccn2)c(C)o1 ZINC000344747172 354347789 /nfs/dbraw/zinc/34/77/89/354347789.db2.gz QIADNVNWMHGQON-JTQLQIEISA-N -1 3 241.250 2.177 20 30 BEEDHM N#Cc1ccsc1[N-]C(=O)c1cscn1 ZINC000062659533 181161196 /nfs/dbraw/zinc/16/11/96/181161196.db2.gz YGUJYHHFPHJRJD-UHFFFAOYSA-N -1 3 235.293 2.329 20 30 BEEDHM Cc1cc(C(=O)NCC2(C#N)CCC2)ccc1[O-] ZINC000335256853 355191831 /nfs/dbraw/zinc/19/18/31/355191831.db2.gz MQJWBGCLKDQMQA-UHFFFAOYSA-N -1 3 244.294 2.124 20 30 BEEDHM CCCCCNC(=O)c1csc(=O)[n-]1 ZINC000330996391 356006660 /nfs/dbraw/zinc/00/66/60/356006660.db2.gz UQQDGOLQMMRNHO-UHFFFAOYSA-N -1 3 214.290 2.344 20 30 BEEDHM C=CCN(C(=O)c1cccc([O-])c1)[C@H](C)COC ZINC000617573779 356139417 /nfs/dbraw/zinc/13/94/17/356139417.db2.gz LDXBUFUVOGDXET-LLVKDONJSA-N -1 3 249.310 2.055 20 30 BEEDHM C=CCN(C(=O)c1ccccc1[O-])[C@@H](C)COC ZINC000617575860 356141464 /nfs/dbraw/zinc/14/14/64/356141464.db2.gz GYIRPQSCIJJXKB-NSHDSACASA-N -1 3 249.310 2.055 20 30 BEEDHM CC1(CNC(=O)c2csc(=O)[n-]2)CCC1 ZINC000329924784 356144835 /nfs/dbraw/zinc/14/48/35/356144835.db2.gz HVSMHRPEHNBMID-UHFFFAOYSA-N -1 3 226.301 2.344 20 30 BEEDHM CC1(CCNC(=O)c2csc(=O)[n-]2)CC1 ZINC000329936731 356147379 /nfs/dbraw/zinc/14/73/79/356147379.db2.gz RRSXVVMIJYIOFD-UHFFFAOYSA-N -1 3 226.301 2.344 20 30 BEEDHM CC[C@@](C)(C#N)NC(=O)c1ccc(C)cc1[O-] ZINC000040357409 358234737 /nfs/dbraw/zinc/23/47/37/358234737.db2.gz NMMMVCGVCZFFBP-ZDUSSCGKSA-N -1 3 232.283 2.123 20 30 BEEDHM C[C@H]1C[C@]1(C#N)c1nc(-c2ccc([O-])cc2)no1 ZINC000351077995 366405080 /nfs/dbraw/zinc/40/50/80/366405080.db2.gz MEJWQNYSYCMQBC-ISVAXAHUSA-N -1 3 241.250 2.243 20 30 BEEDHM C[C@@H]1C[C@]1(C#N)c1nc(-c2ccc([O-])cc2)no1 ZINC000351077993 366405475 /nfs/dbraw/zinc/40/54/75/366405475.db2.gz MEJWQNYSYCMQBC-AMIZOPFISA-N -1 3 241.250 2.243 20 30 BEEDHM CC[C@@](C)(C#N)NC(=O)c1ccc([O-])c(C)c1 ZINC000227024196 358347506 /nfs/dbraw/zinc/34/75/06/358347506.db2.gz GZSZCBNEKMEJOQ-ZDUSSCGKSA-N -1 3 232.283 2.123 20 30 BEEDHM CCC[C@@H](C#N)NC(=O)c1ccc([O-])c(C)c1 ZINC000227024376 358347664 /nfs/dbraw/zinc/34/76/64/358347664.db2.gz AAJMKXALDATHNL-NSHDSACASA-N -1 3 232.283 2.123 20 30 BEEDHM CC[C@@H](C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000045571269 358563363 /nfs/dbraw/zinc/56/33/63/358563363.db2.gz KNTDWRATXABDAA-SCSAIBSYSA-N -1 3 236.197 2.458 20 30 BEEDHM CC[C@@H](C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000045571269 358563365 /nfs/dbraw/zinc/56/33/65/358563365.db2.gz KNTDWRATXABDAA-SCSAIBSYSA-N -1 3 236.197 2.458 20 30 BEEDHM C=CC[C@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000628482711 359371678 /nfs/dbraw/zinc/37/16/78/359371678.db2.gz WRHLFIGIDFPMAA-NSHDSACASA-N -1 3 231.295 2.430 20 30 BEEDHM CC(C)C[C@@H](C#N)NC(=O)c1cccc([O-])c1 ZINC000611565280 359393086 /nfs/dbraw/zinc/39/30/86/359393086.db2.gz DMTAPUABLOXILP-NSHDSACASA-N -1 3 232.283 2.060 20 30 BEEDHM N#CC1(CNCc2c(F)ccc([O-])c2F)CC1 ZINC000552215524 325610196 /nfs/dbraw/zinc/61/01/96/325610196.db2.gz NEFSWRPIFULFLA-UHFFFAOYSA-N -1 3 238.237 2.064 20 30 BEEDHM C=C(C)CN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000629374312 361024516 /nfs/dbraw/zinc/02/45/16/361024516.db2.gz UTOZRRVTBVVKDA-SRVKXCTJSA-N -1 3 223.316 2.138 20 30 BEEDHM C=C(C)CN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000629374311 361024578 /nfs/dbraw/zinc/02/45/78/361024578.db2.gz UTOZRRVTBVVKDA-SDDRHHMPSA-N -1 3 223.316 2.138 20 30 BEEDHM C=C(C)C[C@H](C)C(=O)Nc1cccc2n[n-]nc21 ZINC000640380942 361190097 /nfs/dbraw/zinc/19/00/97/361190097.db2.gz ZOSGHGXSIRQLPE-VIFPVBQESA-N -1 3 244.298 2.499 20 30 BEEDHM Cc1cc[nH]c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001641877718 1172301538 /nfs/dbraw/zinc/30/15/38/1172301538.db2.gz DXWXDAGZCRPJRC-UHFFFAOYSA-N -1 3 248.257 2.494 20 30 BEEDHM N#CCC1(CNCc2cc([O-])cc(F)c2)CC1 ZINC000430039790 201137976 /nfs/dbraw/zinc/13/79/76/201137976.db2.gz ZWKHKTZITIBYDO-UHFFFAOYSA-N -1 3 234.274 2.315 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C=CCN(CC=C)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000297843969 384966125 /nfs/dbraw/zinc/96/61/25/384966125.db2.gz KUBRZHSLKHVSEV-LLVKDONJSA-N -1 3 233.315 2.226 20 30 BEEDHM C=CC[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000227031017 385083932 /nfs/dbraw/zinc/08/39/32/385083932.db2.gz ZKXKFDLJVUJBPH-SNVBAGLBSA-N -1 3 219.284 2.395 20 30 BEEDHM COC(=O)C(C)(C)C/N=C/c1ccccc1[O-] ZINC000129359472 385145718 /nfs/dbraw/zinc/14/57/18/385145718.db2.gz IIMMRROPKVPTGM-RIYZIHGNSA-N -1 3 235.283 2.010 20 30 BEEDHM [O-]c1c(O)ccc(/C=N/CC2(C3CC3)CC2)c1O ZINC000129618741 385169130 /nfs/dbraw/zinc/16/91/30/385169130.db2.gz MCNHHTKEYMZERM-VIZOYTHASA-N -1 3 247.294 2.413 20 30 BEEDHM Cc1cccc(C(=O)N[C@H](C#N)C(C)(C)C)c1[O-] ZINC000155134472 385376715 /nfs/dbraw/zinc/37/67/15/385376715.db2.gz YUQGMEDWUOZKFB-LLVKDONJSA-N -1 3 246.310 2.369 20 30 BEEDHM C=CC[C@H](CC)NC(=O)c1cccc(O)c1[O-] ZINC000281827746 385446633 /nfs/dbraw/zinc/44/66/33/385446633.db2.gz WCXUGSZSHXSMKG-VIFPVBQESA-N -1 3 235.283 2.182 20 30 BEEDHM C=CC[C@@H](CC)NC(=O)c1cccc(O)c1[O-] ZINC000281827743 385446984 /nfs/dbraw/zinc/44/69/84/385446984.db2.gz WCXUGSZSHXSMKG-SECBINFHSA-N -1 3 235.283 2.182 20 30 BEEDHM N#CCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000336592753 385514284 /nfs/dbraw/zinc/51/42/84/385514284.db2.gz NKJPQQBSNKKETR-UHFFFAOYSA-N -1 3 244.294 2.158 20 30 BEEDHM C[C@@H](CC#N)C(=O)N1CCCc2cccc([O-])c21 ZINC000597457448 385675991 /nfs/dbraw/zinc/67/59/91/385675991.db2.gz POXVIAKAORGRDK-JTQLQIEISA-N -1 3 244.294 2.221 20 30 BEEDHM C=CCOc1ccccc1CN(C)[C@H](C)C(=O)[O-] ZINC000414670925 386140662 /nfs/dbraw/zinc/14/06/62/386140662.db2.gz AEVOIODVQABQHZ-LLVKDONJSA-N -1 3 249.310 2.156 20 30 BEEDHM C=CCCS(=O)(=O)[N-]c1ccc(C)cc1O ZINC000092258691 386343389 /nfs/dbraw/zinc/34/33/89/386343389.db2.gz RAHPUZKJNDYAFD-UHFFFAOYSA-N -1 3 241.312 2.018 20 30 BEEDHM CC#CCSCc1nc(CC)cc(=O)[n-]1 ZINC000166764607 387034045 /nfs/dbraw/zinc/03/40/45/387034045.db2.gz DSRALMSEQSVLIE-UHFFFAOYSA-N -1 3 222.313 2.001 20 30 BEEDHM Cc1csc(C(C#N)=C([O-])c2cccn2C)n1 ZINC000073976742 387127613 /nfs/dbraw/zinc/12/76/13/387127613.db2.gz NQNVBILYOQEJGZ-VIFPVBQESA-N -1 3 245.307 2.280 20 30 BEEDHM C=C(C)CN(CC)[C@H](C(=O)[O-])c1cccnc1 ZINC000572048065 387226910 /nfs/dbraw/zinc/22/69/10/387226910.db2.gz GGQIJMZVWNZSLJ-LBPRGKRZSA-N -1 3 234.299 2.105 20 30 BEEDHM C=CCC(C)(C)CNC(=O)c1csc(=O)[n-]1 ZINC000352526380 387288686 /nfs/dbraw/zinc/28/86/86/387288686.db2.gz NAYADZASDDYKGQ-UHFFFAOYSA-N -1 3 240.328 2.181 20 30 BEEDHM CC(C)N(CCC#N)C(=O)c1cccc([O-])c1 ZINC000042530061 387509271 /nfs/dbraw/zinc/50/92/71/387509271.db2.gz PBONCFJZUHQGIG-UHFFFAOYSA-N -1 3 232.283 2.156 20 30 BEEDHM C=CCCCN(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000492439237 388344315 /nfs/dbraw/zinc/34/43/15/388344315.db2.gz KJHYFCQBHZMOQG-SREVYHEPSA-N -1 3 246.310 2.225 20 30 BEEDHM C=CCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646581348 388389486 /nfs/dbraw/zinc/38/94/86/388389486.db2.gz BUUCBQPVJHSDIC-UHFFFAOYSA-N -1 3 245.200 2.327 20 30 BEEDHM 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/nfs/dbraw/zinc/08/37/12/385083712.db2.gz ZKXKFDLJVUJBPH-JTQLQIEISA-N -1 3 219.284 2.395 20 30 BEEDHM Cc1ccc([O-])c(CN2CCC[C@@H](CC#N)C2)n1 ZINC000597174450 385665696 /nfs/dbraw/zinc/66/56/96/385665696.db2.gz QUULNZVOOSJABN-LBPRGKRZSA-N -1 3 245.326 2.221 20 30 BEEDHM C=C[C@@](C)(CC)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351368030 386409592 /nfs/dbraw/zinc/40/95/92/386409592.db2.gz JOOJVWRWPMYFNM-LBPRGKRZSA-N -1 3 246.270 2.086 20 30 BEEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccoc1 ZINC000294000107 386671791 /nfs/dbraw/zinc/67/17/91/386671791.db2.gz FZZXVWFQDZWOCM-UHFFFAOYSA-N -1 3 215.199 2.107 20 30 BEEDHM CCc1ccc([O-])c(C(=O)NC[C@H]2CCCO2)c1 ZINC000330616736 386818288 /nfs/dbraw/zinc/81/82/88/386818288.db2.gz VSDKTCBLIIYWIT-LLVKDONJSA-N -1 3 249.310 2.438 20 30 BEEDHM Cc1cccc(C(=O)NCC2(C#N)CCC2)c1[O-] ZINC000334886650 386960824 /nfs/dbraw/zinc/96/08/24/386960824.db2.gz SBFIHRJZHXPEEZ-UHFFFAOYSA-N -1 3 244.294 2.124 20 30 BEEDHM C=CCCCCNC(=O)c1ccc2n[n-]nc2c1 ZINC000274684229 387487700 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/nfs/dbraw/zinc/75/86/95/388758695.db2.gz FSEALGTWLWLLEC-UHFFFAOYSA-N -1 3 235.283 2.136 20 30 BEEDHM C=C1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000336247011 134141026 /nfs/dbraw/zinc/14/10/26/134141026.db2.gz SXWMSBVYXBNGAD-UHFFFAOYSA-N -1 3 249.285 2.252 20 30 BEEDHM C=CCCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000175219453 134285863 /nfs/dbraw/zinc/28/58/63/134285863.db2.gz YTPYZPOQWQKWPM-UHFFFAOYSA-N -1 3 248.208 2.118 20 30 BEEDHM C=CCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000175219453 134285864 /nfs/dbraw/zinc/28/58/64/134285864.db2.gz YTPYZPOQWQKWPM-UHFFFAOYSA-N -1 3 248.208 2.118 20 30 BEEDHM CCN(CCC#N)C(=O)c1ccc(C)c(C)c1[O-] ZINC000133403654 134749110 /nfs/dbraw/zinc/74/91/10/134749110.db2.gz DHWIQCLEQWTTPI-UHFFFAOYSA-N -1 3 246.310 2.385 20 30 BEEDHM Cc1ccc(C(=O)N[C@@H](C)CC#N)c([O-])c1C ZINC000263718278 135128060 /nfs/dbraw/zinc/12/80/60/135128060.db2.gz RLMXIBFAVDHZGI-VIFPVBQESA-N -1 3 232.283 2.041 20 30 BEEDHM C=CCN(CCC#N)Cc1ccccc1[O-] ZINC000292843074 135178247 /nfs/dbraw/zinc/17/82/47/135178247.db2.gz SKPOJJSCDILRSR-UHFFFAOYSA-N -1 3 216.284 2.294 20 30 BEEDHM C=CCN(CCC#N)C(=O)c1ccc([O-])c(C)c1 ZINC000293897131 135184882 /nfs/dbraw/zinc/18/48/82/135184882.db2.gz QZIPYSQHXPUVIL-UHFFFAOYSA-N -1 3 244.294 2.243 20 30 BEEDHM Cc1ncc(CO)c(/C=N/CC(C)(C)C)c1[O-] ZINC000299175169 135202332 /nfs/dbraw/zinc/20/23/32/135202332.db2.gz WOACFQFHIVRSPO-MKMNVTDBSA-N -1 3 236.315 2.053 20 30 BEEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)ccn1 ZINC000342442211 135274424 /nfs/dbraw/zinc/27/44/24/135274424.db2.gz RYLHSTJAXLRVBT-LBPRGKRZSA-N -1 3 237.262 2.275 20 30 BEEDHM C=CC[C@@H](CC)NC(=O)c1cc(OC)ccc1[O-] ZINC000281011932 135369915 /nfs/dbraw/zinc/36/99/15/135369915.db2.gz FNBMKDYQEXKXFR-SNVBAGLBSA-N -1 3 249.310 2.485 20 30 BEEDHM Cc1ccc(C#N)cc1NC(=O)[N-]OCC1CC1 ZINC000292653812 398076174 /nfs/dbraw/zinc/07/61/74/398076174.db2.gz PGXQBRAOADJBHN-UHFFFAOYSA-N -1 3 245.282 2.330 20 30 BEEDHM C=CCOCCCNC(=O)c1ccc([O-])c(C)c1 ZINC000618525485 398105499 /nfs/dbraw/zinc/10/54/99/398105499.db2.gz BUKHCYZXAUKAHM-UHFFFAOYSA-N -1 3 249.310 2.023 20 30 BEEDHM C=CCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000048384132 398097785 /nfs/dbraw/zinc/09/77/85/398097785.db2.gz BFVJCWIZNGCONB-UHFFFAOYSA-N -1 3 219.284 2.431 20 30 BEEDHM C#CCN(C(=O)c1ccc(C)c(C)c1[O-])C1CC1 ZINC000274110735 166154050 /nfs/dbraw/zinc/15/40/50/166154050.db2.gz QSADAOMTAYVXKS-UHFFFAOYSA-N -1 3 243.306 2.247 20 30 BEEDHM C#C[C@H](C)NCc1cccc(Cl)c1[O-] ZINC000166418126 166217634 /nfs/dbraw/zinc/21/76/34/166217634.db2.gz JJIUHRQNWXMHGX-QMMMGPOBSA-N -1 3 209.676 2.157 20 30 BEEDHM C=CCCN(C)C(=O)c1cccc(C)c1[O-] ZINC000276153998 166254796 /nfs/dbraw/zinc/25/47/96/166254796.db2.gz PNDKAWOYVIAGDJ-UHFFFAOYSA-N -1 3 219.284 2.349 20 30 BEEDHM C=CCN(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000154197967 166321496 /nfs/dbraw/zinc/32/14/96/166321496.db2.gz XHENHVPGZWHEAF-UHFFFAOYSA-N -1 3 219.284 2.267 20 30 BEEDHM C=CCN(CC(=O)[O-])Cc1ccc(OCC)cc1 ZINC000032104356 166325386 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/nfs/dbraw/zinc/94/29/55/584942955.db2.gz BSPBYPOVUVFTSH-QDECMSLZSA-N -1 3 249.310 2.246 20 30 BEEDHM C=CCSc1ccc(-c2nnn[n-]2)cc1F ZINC000735443463 584977155 /nfs/dbraw/zinc/97/71/55/584977155.db2.gz WCCUXPIYUITWTL-UHFFFAOYSA-N -1 3 236.275 2.284 20 30 BEEDHM C=CCSc1ccc(-c2nn[n-]n2)cc1F ZINC000735443463 584977156 /nfs/dbraw/zinc/97/71/56/584977156.db2.gz WCCUXPIYUITWTL-UHFFFAOYSA-N -1 3 236.275 2.284 20 30 BEEDHM C[C@H](C#N)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000735505292 584978215 /nfs/dbraw/zinc/97/82/15/584978215.db2.gz QBQKRORZTPJZNM-ZCFIWIBFSA-N -1 3 249.274 2.010 20 30 BEEDHM C[C@H](C#N)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000735505292 584978216 /nfs/dbraw/zinc/97/82/16/584978216.db2.gz QBQKRORZTPJZNM-ZCFIWIBFSA-N -1 3 249.274 2.010 20 30 BEEDHM C=CCON=C([O-])N1C[C@H](C)c2ccccc21 ZINC000838704293 585065232 /nfs/dbraw/zinc/06/52/32/585065232.db2.gz OLEJXLREWXFRKU-JTQLQIEISA-N -1 3 232.283 2.437 20 30 BEEDHM C=CCO[N-]C(=O)N1C[C@H](C)c2ccccc21 ZINC000838704293 585065233 /nfs/dbraw/zinc/06/52/33/585065233.db2.gz OLEJXLREWXFRKU-JTQLQIEISA-N -1 3 232.283 2.437 20 30 BEEDHM CC(=NNCC(F)F)c1ccc([O-])c(F)c1 ZINC000740617368 585104417 /nfs/dbraw/zinc/10/44/17/585104417.db2.gz HAMYFRQJXYZZNU-UHFFFAOYSA-N -1 3 232.205 2.110 20 30 BEEDHM Cc1ccc(-c2nc(C(=O)N[O-])cs2)cc1 ZINC000743797922 585139517 /nfs/dbraw/zinc/13/95/17/585139517.db2.gz CABXXZQSLALMES-UHFFFAOYSA-N -1 3 234.280 2.238 20 30 BEEDHM C=C(Cl)COC(=O)c1ccc(F)cc1[O-] ZINC000750145982 585211197 /nfs/dbraw/zinc/21/11/97/585211197.db2.gz LWCBPWREVLAWOU-UHFFFAOYSA-N -1 3 230.622 2.441 20 30 BEEDHM O=C(N[O-])c1cc2cc(Cl)ccc2o1 ZINC000750540348 585217169 /nfs/dbraw/zinc/21/71/69/585217169.db2.gz AQKRFOYBTXXCPZ-UHFFFAOYSA-N -1 3 211.604 2.205 20 30 BEEDHM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N[O-] ZINC000754179510 585279899 /nfs/dbraw/zinc/27/98/99/585279899.db2.gz XPKZMVUYGUUTAO-VHSXEESVSA-N -1 3 219.284 2.481 20 30 BEEDHM C#C[C@@H](CC)NC(=O)c1ccc(CC)cc1[O-] ZINC000754371618 585283240 /nfs/dbraw/zinc/28/32/40/585283240.db2.gz OJNPCTUELQAPAL-NSHDSACASA-N -1 3 231.295 2.096 20 30 BEEDHM COc1cccc(NN=Cc2ccc([O-])cn2)c1 ZINC000755609304 585302366 /nfs/dbraw/zinc/30/23/66/585302366.db2.gz ULCVAVGEOZDXQA-UHFFFAOYSA-N -1 3 243.266 2.242 20 30 BEEDHM N#Cc1ccc(NN=Cc2ccc([O-])cn2)cc1 ZINC000755652220 585303605 /nfs/dbraw/zinc/30/36/05/585303605.db2.gz SXIVKIKHYVNTHV-UHFFFAOYSA-N -1 3 238.250 2.105 20 30 BEEDHM [O-]c1ccc(C=NNc2cccc(F)c2)nc1 ZINC000755663787 585303867 /nfs/dbraw/zinc/30/38/67/585303867.db2.gz ZKQSRFQCWQIIKE-UHFFFAOYSA-N -1 3 231.230 2.372 20 30 BEEDHM C[C@@H](C#N)CNN=Cc1c([O-])cccc1Cl ZINC000755800812 585307242 /nfs/dbraw/zinc/30/72/42/585307242.db2.gz BYQLTHZZIJVLOV-QMMMGPOBSA-N -1 3 237.690 2.129 20 30 BEEDHM C=C(C)COC(=O)c1ccc([O-])c(OC)c1 ZINC000757096536 585328159 /nfs/dbraw/zinc/32/81/59/585328159.db2.gz SHQOYPGXCIZEOJ-UHFFFAOYSA-N -1 3 222.240 2.134 20 30 BEEDHM COc1cccc([O-])c1CNCC(C)(C)C#N ZINC000757907723 585346665 /nfs/dbraw/zinc/34/66/65/585346665.db2.gz WVJKNYQPUMUUCG-UHFFFAOYSA-N -1 3 234.299 2.040 20 30 BEEDHM C#CCCc1noc(-c2ccc(C)cc2[O-])n1 ZINC000762013785 585424182 /nfs/dbraw/zinc/42/41/82/585424182.db2.gz IGWWYBFEJYLMKY-UHFFFAOYSA-N -1 3 228.251 2.316 20 30 BEEDHM C=CCCSCc1nc(C)cc(=O)[n-]1 ZINC000763219189 585444893 /nfs/dbraw/zinc/44/48/93/585444893.db2.gz XPDCNENYGWFAPS-UHFFFAOYSA-N -1 3 210.302 2.300 20 30 BEEDHM CC1(CCOC(=O)c2ccc(C#N)[n-]2)CC1 ZINC000764224809 585461762 /nfs/dbraw/zinc/46/17/62/585461762.db2.gz WYKRJKDXVYOLMQ-UHFFFAOYSA-N -1 3 218.256 2.233 20 30 BEEDHM CCON=Cc1cc(Cl)c([O-])c(OC)c1 ZINC000767470241 585520717 /nfs/dbraw/zinc/52/07/17/585520717.db2.gz SMRJWTWNGHNATP-UHFFFAOYSA-N -1 3 229.663 2.425 20 30 BEEDHM C[C@@H](CC#N)NN=Cc1cc(Cl)ccc1[O-] ZINC000771883351 585602904 /nfs/dbraw/zinc/60/29/04/585602904.db2.gz CMTASKMZPYUBKR-QMMMGPOBSA-N -1 3 237.690 2.271 20 30 BEEDHM C#C[C@@H]([N-]c1nc(C2CC2)ns1)[C@H]1CCCO1 ZINC000772255069 585611332 /nfs/dbraw/zinc/61/13/32/585611332.db2.gz IZXQQGLNSKGUGI-NXEZZACHSA-N -1 3 249.339 2.008 20 30 BEEDHM C[C@@H]1C[C@@H]1c1ccc(C=NN=c2cc[n-]n2C)o1 ZINC000774408819 585657540 /nfs/dbraw/zinc/65/75/40/585657540.db2.gz FCLRJMXOCSQTBT-KOLCDFICSA-N -1 3 244.298 2.004 20 30 BEEDHM CC(C)[C@@H]1CCCCC1=NN=c1cc[n-]n1C ZINC000774410699 585657764 /nfs/dbraw/zinc/65/77/64/585657764.db2.gz OBZXPNILCNWKJA-NSHDSACASA-N -1 3 234.347 2.456 20 30 BEEDHM CC(C)[C@H]1CCCC1=NN=c1cc[n-]n1C ZINC000774410672 585657773 /nfs/dbraw/zinc/65/77/73/585657773.db2.gz NILMHINVDCZLSH-SNVBAGLBSA-N -1 3 220.320 2.066 20 30 BEEDHM C[C@H]1CCC(=NN=c2cc[n-]n2C)C[C@@H]1C ZINC000774413220 585657779 /nfs/dbraw/zinc/65/77/79/585657779.db2.gz XQSVQMQXHYXQMC-UWVGGRQHSA-N -1 3 220.320 2.066 20 30 BEEDHM CC[C@H]1CCC[C@H](C=NN=c2cc[n-]n2C)C1 ZINC000774411272 585657914 /nfs/dbraw/zinc/65/79/14/585657914.db2.gz PFRBJOMILWWTRN-RYUDHWBXSA-N -1 3 234.347 2.456 20 30 BEEDHM CCC(C[C@@H](C)CC)=NN=c1cc[n-]n1C ZINC000774412597 585657972 /nfs/dbraw/zinc/65/79/72/585657972.db2.gz RLQBIKGKBIYGRO-JTQLQIEISA-N -1 3 222.336 2.456 20 30 BEEDHM CC[C@@H]1CCC[C@@H](C=NN=c2cc[n-]n2C)C1 ZINC000774411274 585657982 /nfs/dbraw/zinc/65/79/82/585657982.db2.gz PFRBJOMILWWTRN-VXGBXAGGSA-N -1 3 234.347 2.456 20 30 BEEDHM CC(=NN=c1cc[n-]n1C)[C@@H](C)c1ccccc1 ZINC000774414604 585658212 /nfs/dbraw/zinc/65/82/12/585658212.db2.gz PEJLSGBKIPXNAX-LLVKDONJSA-N -1 3 242.326 2.434 20 30 BEEDHM CCOCCON=C(C)c1cc(F)ccc1[O-] ZINC000774435862 585658778 /nfs/dbraw/zinc/65/87/78/585658778.db2.gz RCCJDISWIPLXRD-UHFFFAOYSA-N -1 3 241.262 2.308 20 30 BEEDHM C=CCCOC(=O)c1nn[n-]c1-c1ccccc1 ZINC000805551346 585685544 /nfs/dbraw/zinc/68/55/44/585685544.db2.gz JISSUCANSKHGKV-UHFFFAOYSA-N -1 3 243.266 2.205 20 30 BEEDHM C=CCCOC(=O)c1[n-]nnc1-c1ccccc1 ZINC000805551346 585685545 /nfs/dbraw/zinc/68/55/45/585685545.db2.gz JISSUCANSKHGKV-UHFFFAOYSA-N -1 3 243.266 2.205 20 30 BEEDHM C=CCCOC(=O)c1n[n-]nc1-c1ccccc1 ZINC000805551346 585685546 /nfs/dbraw/zinc/68/55/46/585685546.db2.gz JISSUCANSKHGKV-UHFFFAOYSA-N -1 3 243.266 2.205 20 30 BEEDHM CC(C)CCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000776274106 585694569 /nfs/dbraw/zinc/69/45/69/585694569.db2.gz MJKQXMZGACSWTH-UHFFFAOYSA-N -1 3 233.267 2.467 20 30 BEEDHM O=c1ccccn1N=Cc1c([O-])cccc1Cl ZINC000776791815 585705728 /nfs/dbraw/zinc/70/57/28/585705728.db2.gz MEKAUCILZBXCFE-UHFFFAOYSA-N -1 3 248.669 2.090 20 30 BEEDHM C[C@@H]1CC[C@@H](OC(=O)c2ccc(C#N)[n-]2)C1 ZINC000779262686 585748857 /nfs/dbraw/zinc/74/88/57/585748857.db2.gz HAXFIZZQPZKDBV-PSASIEDQSA-N -1 3 218.256 2.232 20 30 BEEDHM C=CCOCCCC(=O)[N-]OC1CCCCC1 ZINC000779317181 585750748 /nfs/dbraw/zinc/75/07/48/585750748.db2.gz PNAOHPLIPDXANM-UHFFFAOYSA-N -1 3 241.331 2.350 20 30 BEEDHM COc1cccc([O-])c1/C=N/CC1(OC)CCC1 ZINC000779706513 585759258 /nfs/dbraw/zinc/75/92/58/585759258.db2.gz GIIKPNKCTGRAEA-OQLLNIDSSA-N -1 3 249.310 2.389 20 30 BEEDHM CC(=NNc1ccncc1)c1ccccc1[O-] ZINC000779809020 585765956 /nfs/dbraw/zinc/76/59/56/585765956.db2.gz CVUIHNDTJHLEKK-UHFFFAOYSA-N -1 3 227.267 2.045 20 30 BEEDHM [O-]c1c(O)cccc1C=NNc1ccnc(F)c1 ZINC000781126924 585790703 /nfs/dbraw/zinc/79/07/03/585790703.db2.gz HMJWLUSYJYXGND-UHFFFAOYSA-N -1 3 247.229 2.078 20 30 BEEDHM O=C(CCc1cccc(C(F)(F)F)c1)N[O-] ZINC000782172300 585809044 /nfs/dbraw/zinc/80/90/44/585809044.db2.gz ZUXZIGZJAZVIHW-UHFFFAOYSA-N -1 3 233.189 2.143 20 30 BEEDHM Cc1cc(C)c(C(=O)CCCC(=O)N[O-])c(C)c1 ZINC000782171825 585809138 /nfs/dbraw/zinc/80/91/38/585809138.db2.gz DBQQPROHKGEZKP-UHFFFAOYSA-N -1 3 249.310 2.470 20 30 BEEDHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[O-] ZINC000782172085 585809271 /nfs/dbraw/zinc/80/92/71/585809271.db2.gz KIMBXNMVSJEJQQ-SSDOTTSWSA-N -1 3 241.674 2.054 20 30 BEEDHM O=C(CCCCC(=O)c1ccc(F)cc1)N[O-] ZINC000782173298 585809407 /nfs/dbraw/zinc/80/94/07/585809407.db2.gz NFQTYRFUSIVJNC-UHFFFAOYSA-N -1 3 239.246 2.074 20 30 BEEDHM C[C@H](CSCc1ccccc1)C(=O)N[O-] ZINC000782173683 585809571 /nfs/dbraw/zinc/80/95/71/585809571.db2.gz YKYLUXKMFGBJCU-SECBINFHSA-N -1 3 225.313 2.061 20 30 BEEDHM N#Cc1ccc(C(=O)OC/C(Cl)=C\Cl)[n-]1 ZINC000786070264 585886761 /nfs/dbraw/zinc/88/67/61/585886761.db2.gz NLPCTRXBOYHURA-ZZXKWVIFSA-N -1 3 245.065 2.362 20 30 BEEDHM C[C@@H](CC(=O)N[O-])c1c[nH]c2ccccc21 ZINC000787866897 585917000 /nfs/dbraw/zinc/91/70/00/585917000.db2.gz HHXSFYCPRFGLIY-QMMMGPOBSA-N -1 3 218.256 2.167 20 30 BEEDHM COc1cccc([C@@H](C)CCCC(=O)N[O-])c1 ZINC000790520645 585965882 /nfs/dbraw/zinc/96/58/82/585965882.db2.gz BXQVWBRSSCHBOE-JTQLQIEISA-N -1 3 237.299 2.474 20 30 BEEDHM C#C[C@@H](CCC)NC(=O)c1cccc(CC)c1[O-] ZINC000791741641 585987036 /nfs/dbraw/zinc/98/70/36/585987036.db2.gz DRFADRWNKHNXKD-LBPRGKRZSA-N -1 3 245.322 2.486 20 30 BEEDHM N#Cc1ccc(C(=O)OCCCCCF)[n-]1 ZINC000792200971 585997618 /nfs/dbraw/zinc/99/76/18/585997618.db2.gz KIIWQEHFOONQIY-UHFFFAOYSA-N -1 3 224.235 2.183 20 30 BEEDHM C[C@H](NN=Cc1ccc(O)cc1[O-])C(C)(C)C ZINC000793113399 586010616 /nfs/dbraw/zinc/01/06/16/586010616.db2.gz DEPBZOOEEXLVEO-VIFPVBQESA-N -1 3 236.315 2.456 20 30 BEEDHM COCCCNN=Cc1cc(Cl)ccc1[O-] ZINC000794539911 586042759 /nfs/dbraw/zinc/04/27/59/586042759.db2.gz SBSHDUJDGYDVOZ-UHFFFAOYSA-N -1 3 242.706 2.006 20 30 BEEDHM CCC(=NN=c1cc[n-]n1C)c1cccc(C)c1 ZINC000794930217 586055822 /nfs/dbraw/zinc/05/58/22/586055822.db2.gz FFIBXKUBHWPDHP-UHFFFAOYSA-N -1 3 242.326 2.377 20 30 BEEDHM COCCN(C)N=C(C)c1ccc(C)cc1[O-] ZINC000794963172 586058184 /nfs/dbraw/zinc/05/81/84/586058184.db2.gz NKJMCARRBPKGST-UHFFFAOYSA-N -1 3 236.315 2.003 20 30 BEEDHM C=CCNN=Cc1cc(Cl)ccc1[O-] ZINC000794999180 586063246 /nfs/dbraw/zinc/06/32/46/586063246.db2.gz ZPVINLPGKRYLGV-UHFFFAOYSA-N -1 3 210.664 2.155 20 30 BEEDHM [O-]c1c(O)ccc(/C=N/[C@@H]2C[C@H]2C2CC2)c1O ZINC000797399697 586126193 /nfs/dbraw/zinc/12/61/93/586126193.db2.gz YYVNGSMVGAHWER-HUQRPRGHSA-N -1 3 233.267 2.021 20 30 BEEDHM COc1cccc([O-])c1/C=N/[C@H](C)[C@H]1CCOC1 ZINC000798344086 586142703 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/nfs/dbraw/zinc/36/86/22/973368622.db2.gz QZLBMCKLGAXRJZ-JMULNHFYSA-N -1 3 249.295 2.452 20 30 BEEDHM CC#C[C@H](CC)Oc1ccc2c([O-])coc2c1 ZINC001225340391 974418447 /nfs/dbraw/zinc/41/84/47/974418447.db2.gz LEPCCBMCTMUHNL-JTQLQIEISA-N -1 3 230.263 2.442 20 30 BEEDHM C#C[C@H]1CCC[C@H]1Oc1[n-]c(=S)ncc1C ZINC001225741046 974664198 /nfs/dbraw/zinc/66/41/98/974664198.db2.gz OIZPOIIHQCTWRC-VHSXEESVSA-N -1 3 234.324 2.254 20 30 BEEDHM Cc1cnc(=S)[n-]c1O[C@H](C)[C@H](C)S ZINC001225741693 974664931 /nfs/dbraw/zinc/66/49/31/974664931.db2.gz ZZPWEUALIZQOLU-RQJHMYQMSA-N -1 3 230.358 2.159 20 30 BEEDHM C[C@H]1COCC[C@H]1Oc1cccc(/C=N/[O-])c1 ZINC001226116920 974799347 /nfs/dbraw/zinc/79/93/47/974799347.db2.gz WQOJGPZONWVUJY-AEZZDWBPSA-N -1 3 235.283 2.299 20 30 BEEDHM CC(C)C(Oc1nccc(/C=N/[O-])n1)C(C)C ZINC001226254682 974840653 /nfs/dbraw/zinc/84/06/53/974840653.db2.gz CGINUMRCNBXRSM-VGOFMYFVSA-N -1 3 237.303 2.344 20 30 BEEDHM C#C[C@@H](CCC)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226481381 974924578 /nfs/dbraw/zinc/92/45/78/974924578.db2.gz GAESKDNODWWCLW-JTQLQIEISA-N -1 3 248.278 2.481 20 30 BEEDHM C#C[C@H](CCCCC)Oc1cc(=O)[n-]c(C)n1 ZINC001226509910 974928022 /nfs/dbraw/zinc/92/80/22/974928022.db2.gz DZIWFWWQGPQBHD-LLVKDONJSA-N -1 3 234.299 2.452 20 30 BEEDHM CC#CC[C@H](CC)Oc1cc(=O)[n-]c(C)n1 ZINC001226512909 974936980 /nfs/dbraw/zinc/93/69/80/974936980.db2.gz WMHZYLZUOHAOOV-JTQLQIEISA-N -1 3 220.272 2.061 20 30 BEEDHM C=CCC(CC=C)Oc1[n-]c(=O)ncc1OC ZINC001226822260 975098276 /nfs/dbraw/zinc/09/82/76/975098276.db2.gz NIUSHZZWWAGJPG-UHFFFAOYSA-N -1 3 236.271 2.090 20 30 BEEDHM CC#CC[C@H](NCc1ccc(C)s1)C(=O)[O-] ZINC001332486275 975162881 /nfs/dbraw/zinc/16/28/81/975162881.db2.gz XRNMGBNMMFRAGN-NSHDSACASA-N -1 3 237.324 2.013 20 30 BEEDHM N#CC[C@@H](Oc1cc(=O)[n-]cn1)c1ccccc1 ZINC001226945283 975174795 /nfs/dbraw/zinc/17/47/95/975174795.db2.gz RWQQWJVHXGTJGB-LLVKDONJSA-N -1 3 241.250 2.216 20 30 BEEDHM C=CC[C@H](CCC)Oc1cc(=O)[n-]cn1 ZINC001226945292 975176870 /nfs/dbraw/zinc/17/68/70/975176870.db2.gz SGCPIBHVMYUARW-SECBINFHSA-N -1 3 208.261 2.306 20 30 BEEDHM N#CC[C@H](Oc1ccc(=O)[n-]n1)c1ccccc1 ZINC001227093305 975263476 /nfs/dbraw/zinc/26/34/76/975263476.db2.gz LFEDLTLRFORFMW-NSHDSACASA-N -1 3 241.250 2.216 20 30 BEEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1cnccn1 ZINC001227348905 975368600 /nfs/dbraw/zinc/36/86/00/975368600.db2.gz DJURBBUYYJIPLP-SECBINFHSA-N -1 3 241.250 2.194 20 30 BEEDHM C#CC[C@@H](C)Oc1cc(C#N)ccc1[O-] ZINC001227351264 975371402 /nfs/dbraw/zinc/37/14/02/975371402.db2.gz TZUHNJOULDQRRN-SECBINFHSA-N -1 3 201.225 2.054 20 30 BEEDHM C[C@@H]1C[C@@H](Oc2cc(C#N)ccc2[O-])CCO1 ZINC001227351839 975372578 /nfs/dbraw/zinc/37/25/78/975372578.db2.gz ZBBIRGARUOQEIT-KOLCDFICSA-N -1 3 233.267 2.210 20 30 BEEDHM C#C[C@H]1CCC[C@H]1Oc1nc(=O)[n-]cc1C=C ZINC001227719343 975646678 /nfs/dbraw/zinc/64/66/78/975646678.db2.gz YTEQVASULGAVPH-GXSJLCMTSA-N -1 3 230.267 2.006 20 30 BEEDHM Cc1nn(C)cc1Nc1cc(C#N)ccc1[O-] ZINC001174337409 976559357 /nfs/dbraw/zinc/55/93/57/976559357.db2.gz RFTFCQJKCWMYTJ-UHFFFAOYSA-N -1 3 228.255 2.049 20 30 BEEDHM C#C[C@@H](CCC)Oc1ccccc1-c1nnn[n-]1 ZINC001229955818 977038358 /nfs/dbraw/zinc/03/83/58/977038358.db2.gz ZNBJMFOPNYKPGG-JTQLQIEISA-N -1 3 242.282 2.047 20 30 BEEDHM C#C[C@@H](CCC)Oc1ccccc1-c1nn[n-]n1 ZINC001229955818 977038362 /nfs/dbraw/zinc/03/83/62/977038362.db2.gz ZNBJMFOPNYKPGG-JTQLQIEISA-N -1 3 242.282 2.047 20 30 BEEDHM CCC#C[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229955367 977039256 /nfs/dbraw/zinc/03/92/56/977039256.db2.gz VDNBXFOLNWNEPV-SNVBAGLBSA-N -1 3 242.282 2.047 20 30 BEEDHM CCC#C[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229955367 977039268 /nfs/dbraw/zinc/03/92/68/977039268.db2.gz VDNBXFOLNWNEPV-SNVBAGLBSA-N -1 3 242.282 2.047 20 30 BEEDHM CCC#C[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229955364 977040835 /nfs/dbraw/zinc/04/08/35/977040835.db2.gz VDNBXFOLNWNEPV-JTQLQIEISA-N -1 3 242.282 2.047 20 30 BEEDHM CCC#C[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229955364 977040851 /nfs/dbraw/zinc/04/08/51/977040851.db2.gz VDNBXFOLNWNEPV-JTQLQIEISA-N -1 3 242.282 2.047 20 30 BEEDHM C#Cc1cc(Nc2c(F)ccc([O-])c2F)ccn1 ZINC001175261200 977358916 /nfs/dbraw/zinc/35/89/16/977358916.db2.gz GGLNFHYDYUXIDF-UHFFFAOYSA-N -1 3 246.216 2.212 20 30 BEEDHM N#Cc1cc(Nc2c(F)ccc([O-])c2F)ccn1 ZINC001175263360 977363465 /nfs/dbraw/zinc/36/34/65/977363465.db2.gz SYIYTQXODNEHFN-UHFFFAOYSA-N -1 3 247.204 2.103 20 30 BEEDHM C=CC[C@@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231114906 977491290 /nfs/dbraw/zinc/49/12/90/977491290.db2.gz BURZIYJZNFRCHX-SECBINFHSA-N -1 3 230.271 2.210 20 30 BEEDHM C=CC[C@@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231114906 977491298 /nfs/dbraw/zinc/49/12/98/977491298.db2.gz BURZIYJZNFRCHX-SECBINFHSA-N -1 3 230.271 2.210 20 30 BEEDHM C=C(C)C[N@@H+](CC)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453308 977598366 /nfs/dbraw/zinc/59/83/66/977598366.db2.gz GHIPZTBGAGFPKJ-UHFFFAOYSA-N -1 3 249.310 2.488 20 30 BEEDHM C=C(C)C[N@H+](CC)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453308 977598375 /nfs/dbraw/zinc/59/83/75/977598375.db2.gz GHIPZTBGAGFPKJ-UHFFFAOYSA-N -1 3 249.310 2.488 20 30 BEEDHM Cc1cc([O-])c(CN(C)CC#N)cc1Cl ZINC001231870593 977778228 /nfs/dbraw/zinc/77/82/28/977778228.db2.gz KYIBNFQZRFIFSN-UHFFFAOYSA-N -1 3 224.691 2.309 20 30 BEEDHM C=CCn1cc(Nc2ncc(F)cc2[O-])cn1 ZINC001176544252 978106956 /nfs/dbraw/zinc/10/69/56/978106956.db2.gz LPPMFGUGVOYLRU-UHFFFAOYSA-N -1 3 234.234 2.052 20 30 BEEDHM N#Cc1ncc(Nc2cc([O-])cc(Cl)c2)cn1 ZINC001176622821 978140671 /nfs/dbraw/zinc/14/06/71/978140671.db2.gz YWZVPHPWFBMMBS-UHFFFAOYSA-N -1 3 246.657 2.451 20 30 BEEDHM N#C[C@@H]1CCCN1Cc1cccc([O-])c1F ZINC001233050019 978440871 /nfs/dbraw/zinc/44/08/71/978440871.db2.gz LBEIHUYHOKVMNS-JTQLQIEISA-N -1 3 220.247 2.019 20 30 BEEDHM N#CC=C([O-])c1ccccc1OC1CC(C#N)C1 ZINC001233525422 978622824 /nfs/dbraw/zinc/62/28/24/978622824.db2.gz UXKLFPFFMNUIAJ-UHFFFAOYSA-N -1 3 240.262 2.464 20 30 BEEDHM C#C[C@@H]1CCC[C@@H]1Oc1ccc2occ([O-])c2c1 ZINC001233681292 978671483 /nfs/dbraw/zinc/67/14/83/978671483.db2.gz SWTFTKOXXPCXBF-YGRLFVJLSA-N -1 3 242.274 2.442 20 30 BEEDHM C#C[C@H]1CCC[C@@H]1Oc1ccc2occ([O-])c2c1 ZINC001233681289 978673847 /nfs/dbraw/zinc/67/38/47/978673847.db2.gz SWTFTKOXXPCXBF-HZMBPMFUSA-N -1 3 242.274 2.442 20 30 BEEDHM C[C@H](CS)Oc1cccc([O-])c1F ZINC001233868870 978717108 /nfs/dbraw/zinc/71/71/08/978717108.db2.gz CIIJENQKUUGEEY-ZCFIWIBFSA-N -1 3 202.250 2.228 20 30 BEEDHM CC[C@@H](COc1cc([O-])cc(C#N)c1)OC ZINC001234144870 978782063 /nfs/dbraw/zinc/78/20/63/978782063.db2.gz WRJLYYPEZNFNSA-NSHDSACASA-N -1 3 221.256 2.068 20 30 BEEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)C1CCOCC1 ZINC001234139596 978783713 /nfs/dbraw/zinc/78/37/13/978783713.db2.gz IHSSCFSSJNNHAL-JTQLQIEISA-N -1 3 247.294 2.458 20 30 BEEDHM C#CC[C@H](C)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234446262 978838219 /nfs/dbraw/zinc/83/82/19/978838219.db2.gz FODWADZLNGKQHO-QMMMGPOBSA-N -1 3 216.240 2.059 20 30 BEEDHM N#C[C@@H]1CC[C@@H](Oc2nc3c(cccc3[O-])[nH]2)C1 ZINC001234449542 978839650 /nfs/dbraw/zinc/83/96/50/978839650.db2.gz PBWFMTLALUSISG-RKDXNWHRSA-N -1 3 243.266 2.340 20 30 BEEDHM C#C[C@H](C)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234687735 978898158 /nfs/dbraw/zinc/89/81/58/978898158.db2.gz ARKDALYOPBKQKY-JTQLQIEISA-N -1 3 240.262 2.250 20 30 BEEDHM C=C[C@H](C)N[C@H](C)c1ccccc1OCC(=O)[O-] ZINC001602812097 979260716 /nfs/dbraw/zinc/26/07/16/979260716.db2.gz AEPNBEYIGJNDAP-WDEREUQCSA-N -1 3 249.310 2.375 20 30 BEEDHM C=CC1CCN(Cc2ccc(C(=O)[O-])n2C)CC1 ZINC001602829574 979282727 /nfs/dbraw/zinc/28/27/27/979282727.db2.gz RHKOXIOSBKDIAS-UHFFFAOYSA-N -1 3 248.326 2.121 20 30 BEEDHM C=CC[C@@H]1CCN1Cc1occc1C(=O)[O-] ZINC001602855362 979310931 /nfs/dbraw/zinc/31/09/31/979310931.db2.gz NVXFSDXMHGPAOO-SECBINFHSA-N -1 3 221.256 2.128 20 30 BEEDHM CC(C)(C)ON=Cc1ccccc1-c1nnn[n-]1 ZINC001603104789 979377213 /nfs/dbraw/zinc/37/72/13/979377213.db2.gz UGHDFMJITMXWIG-UHFFFAOYSA-N -1 3 245.286 2.016 20 30 BEEDHM CC(C)(C)ON=Cc1ccccc1-c1nn[n-]n1 ZINC001603104789 979377218 /nfs/dbraw/zinc/37/72/18/979377218.db2.gz UGHDFMJITMXWIG-UHFFFAOYSA-N -1 3 245.286 2.016 20 30 BEEDHM Cc1cc(C)c(C#N)c(-c2cncc([O-])c2)n1 ZINC001236575020 979643717 /nfs/dbraw/zinc/64/37/17/979643717.db2.gz CLELVNBHERBDQU-UHFFFAOYSA-N -1 3 225.251 2.338 20 30 BEEDHM N#Cc1cc2c(nc1-c1cncc([O-])c1)CCC2 ZINC001236577380 979650731 /nfs/dbraw/zinc/65/07/31/979650731.db2.gz GQSZLBMMOZQTOS-UHFFFAOYSA-N -1 3 237.262 2.210 20 30 BEEDHM COc1c(C#N)c(F)ccc1-c1cncc([O-])c1 ZINC001236585500 979668875 /nfs/dbraw/zinc/66/88/75/979668875.db2.gz WQAUQAZBCJJRRC-UHFFFAOYSA-N -1 3 244.225 2.474 20 30 BEEDHM N#CCCN(CCC#N)Cc1occc1[S-] ZINC001237185385 979835648 /nfs/dbraw/zinc/83/56/48/979835648.db2.gz WQVMCHIHEXCNBS-UHFFFAOYSA-N -1 3 235.312 2.198 20 30 BEEDHM N#C[C@@H]1CCCN(Cc2cc([O-])cc(F)c2)C1 ZINC001237280083 979858157 /nfs/dbraw/zinc/85/81/57/979858157.db2.gz FCPYQRHMFDLDGU-JTQLQIEISA-N -1 3 234.274 2.267 20 30 BEEDHM N#CCC1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC001608181381 980179517 /nfs/dbraw/zinc/17/95/17/980179517.db2.gz JLGCIGHFXQHLKH-UHFFFAOYSA-N -1 3 248.282 2.103 20 30 BEEDHM Cc1cc([O-])ccc1C(=O)Nc1[nH]ccc1C#N ZINC001186173617 980347741 /nfs/dbraw/zinc/34/77/41/980347741.db2.gz LVHJZVDPEYSOBT-UHFFFAOYSA-N -1 3 241.250 2.153 20 30 BEEDHM C#Cc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC001188719871 980700311 /nfs/dbraw/zinc/70/03/11/980700311.db2.gz OFZGWHRPMWMJSR-UHFFFAOYSA-N -1 3 238.246 2.021 20 30 BEEDHM COC(C)(C)Cc1ccc([O-])c(C#N)c1 ZINC001250353650 980847475 /nfs/dbraw/zinc/84/74/75/980847475.db2.gz NXYVJKXBUNKQDH-UHFFFAOYSA-N -1 3 205.257 2.231 20 30 BEEDHM COc1ncc(-c2cccc(/C=N/[O-])c2)cc1N ZINC001239641956 980826470 /nfs/dbraw/zinc/82/64/70/980826470.db2.gz GHEQFYLVMZVLBE-FRKPEAEDSA-N -1 3 243.266 2.148 20 30 BEEDHM Cc1cc(Cc2ccc([O-])c(C#N)c2)on1 ZINC001250364492 980865028 /nfs/dbraw/zinc/86/50/28/980865028.db2.gz MQJJRIKXQUMDOQ-UHFFFAOYSA-N -1 3 214.224 2.151 20 30 BEEDHM Cc1nn(C)cc1-c1ccccc1C=N[O-] ZINC001240305419 981272683 /nfs/dbraw/zinc/27/26/83/981272683.db2.gz SOPQUSZYWJVKBF-UHFFFAOYSA-N -1 3 215.256 2.204 20 30 BEEDHM Cc1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)[nH]1 ZINC001193909614 981509288 /nfs/dbraw/zinc/50/92/88/981509288.db2.gz WIWLTNHKSZRYTJ-UHFFFAOYSA-N -1 3 241.250 2.153 20 30 BEEDHM COc1cc(-c2nc(C)cnc2C#N)ccc1[O-] ZINC001240612467 981509755 /nfs/dbraw/zinc/50/97/55/981509755.db2.gz GZPLCRWPLBPDKV-UHFFFAOYSA-N -1 3 241.250 2.038 20 30 BEEDHM O=C(CC1CC1)N([O-])Cc1ccc(F)cc1 ZINC001350667043 982043202 /nfs/dbraw/zinc/04/32/02/982043202.db2.gz JBJXGVUOKHNAHU-UHFFFAOYSA-N -1 3 223.247 2.344 20 30 BEEDHM C=C(CC(C)C)C(=O)Nc1n[n-]c(SC)n1 ZINC001351102395 982205122 /nfs/dbraw/zinc/20/51/22/982205122.db2.gz WZEYLWIBIAGZHN-UHFFFAOYSA-N -1 3 240.332 2.067 20 30 BEEDHM C#Cc1cccc(NC(=S)[N-]C(=O)OCC)c1 ZINC001195483642 982287407 /nfs/dbraw/zinc/28/74/07/982287407.db2.gz YIJVOCFPBXOKAI-UHFFFAOYSA-N -1 3 248.307 2.111 20 30 BEEDHM Cc1cc[nH]c1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001195496112 982296676 /nfs/dbraw/zinc/29/66/76/982296676.db2.gz PZLHPXKBTLAVKO-UHFFFAOYSA-N -1 3 241.250 2.153 20 30 BEEDHM C=CCCNc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001588608669 982352597 /nfs/dbraw/zinc/35/25/97/982352597.db2.gz BVTAQZDDBSGLFV-UHFFFAOYSA-N -1 3 229.287 2.163 20 30 BEEDHM C=CCCNc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001588608669 982352609 /nfs/dbraw/zinc/35/26/09/982352609.db2.gz BVTAQZDDBSGLFV-UHFFFAOYSA-N -1 3 229.287 2.163 20 30 BEEDHM CCC(C)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001590388404 982930799 /nfs/dbraw/zinc/93/07/99/982930799.db2.gz JHRPIVMQYWXLGX-UHFFFAOYSA-N -1 3 230.275 2.065 20 30 BEEDHM CCC(C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001590388404 982930806 /nfs/dbraw/zinc/93/08/06/982930806.db2.gz JHRPIVMQYWXLGX-UHFFFAOYSA-N -1 3 230.275 2.065 20 30 BEEDHM CC(C)(C)NC(=S)Nc1ccc([O-])c(C#N)c1 ZINC001200909435 983109899 /nfs/dbraw/zinc/10/98/99/983109899.db2.gz JHVJQNLCNRYVSO-UHFFFAOYSA-N -1 3 249.339 2.349 20 30 BEEDHM [O-]/N=C/c1ccc(-c2ncc[nH]2)cc1F ZINC001242019104 983222627 /nfs/dbraw/zinc/22/26/27/983222627.db2.gz ZKBPDEHFHSZGEV-MKMNVTDBSA-N -1 3 205.192 2.024 20 30 BEEDHM [O-]N=Cc1ccc(-c2ncc[nH]2)cc1F ZINC001242019104 983222634 /nfs/dbraw/zinc/22/26/34/983222634.db2.gz ZKBPDEHFHSZGEV-MKMNVTDBSA-N -1 3 205.192 2.024 20 30 BEEDHM Cc1ncc(-c2cccc(/C=N/[O-])c2)cc1N ZINC001242411652 983722066 /nfs/dbraw/zinc/72/20/66/983722066.db2.gz KTETYZIUNMOKOD-FRKPEAEDSA-N -1 3 227.267 2.447 20 30 BEEDHM Nc1cncc(-c2ccccc2C=N[O-])c1 ZINC001242503034 983827559 /nfs/dbraw/zinc/82/75/59/983827559.db2.gz LFBZWAIIEALBOF-UHFFFAOYSA-N -1 3 213.240 2.139 20 30 BEEDHM C=CCNC(=O)Nc1c([O-])cccc1Cl ZINC001202570282 984074034 /nfs/dbraw/zinc/07/40/34/984074034.db2.gz OXHPDZPRQSWYRW-UHFFFAOYSA-N -1 3 226.663 2.353 20 30 BEEDHM N#Cc1cnc(-c2cc([O-])ccc2F)c(C#N)c1 ZINC001242759920 984124460 /nfs/dbraw/zinc/12/44/60/984124460.db2.gz HALJIEVWJIRRLC-UHFFFAOYSA-N -1 3 239.209 2.337 20 30 BEEDHM N#CCc1nccnc1-c1cccc([O-])c1F ZINC001243544789 985083642 /nfs/dbraw/zinc/08/36/42/985083642.db2.gz YMZAIUPZOOXDIM-UHFFFAOYSA-N -1 3 229.214 2.054 20 30 BEEDHM C=C/C(=N\COC)c1cccc([O-])c1F ZINC001243544665 985085202 /nfs/dbraw/zinc/08/52/02/985085202.db2.gz UGXDRCJUKHGQRJ-UKTHLTGXSA-N -1 3 209.220 2.110 20 30 BEEDHM COc1cc([O-])ccc1-c1nc(C)ncc1C#N ZINC001243984874 985725264 /nfs/dbraw/zinc/72/52/64/985725264.db2.gz WTKIVOMAXYEVDX-UHFFFAOYSA-N -1 3 241.250 2.038 20 30 BEEDHM COc1ncc(-c2cc(C#N)c(C)cn2)cc1[O-] ZINC001244843316 986389681 /nfs/dbraw/zinc/38/96/81/986389681.db2.gz HKLRXJGYGDADGT-UHFFFAOYSA-N -1 3 241.250 2.038 20 30 BEEDHM N#Cc1ncc(-c2ccc([O-])cc2Cl)cn1 ZINC001245083435 986652141 /nfs/dbraw/zinc/65/21/41/986652141.db2.gz PJEVYJLYUVNREV-UHFFFAOYSA-N -1 3 231.642 2.374 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)/C=C/c1ncccc1C ZINC001469732108 987018494 /nfs/dbraw/zinc/01/84/94/987018494.db2.gz AKPGVFMVANAQQO-WSKFYRRCSA-N -1 3 232.283 2.026 20 30 BEEDHM C=CCCNC(=S)Nc1ccc([O-])c(F)c1 ZINC001247643836 988958386 /nfs/dbraw/zinc/95/83/86/988958386.db2.gz LMGSTNWXFOELKM-UHFFFAOYSA-N -1 3 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CCc1ccc(C(=O)N(C)C[C@@H](C)C#N)c([O-])c1 ZINC000276387485 351619453 /nfs/dbraw/zinc/61/94/53/351619453.db2.gz ZPEYDHNGEQNGAG-JTQLQIEISA-N -1 3 246.310 2.186 20 30 BEEDHM C[C@H](/N=C/c1ccccc1[O-])[C@@H]1CCOC1 ZINC000281039507 351873205 /nfs/dbraw/zinc/87/32/05/351873205.db2.gz PGNHAEGWARCDMR-CRDGFYCKSA-N -1 3 219.284 2.236 20 30 BEEDHM CC#CCCNC(=O)c1cc(SC)ccc1[O-] ZINC000613322112 363104031 /nfs/dbraw/zinc/10/40/31/363104031.db2.gz ZBNKMPMOUGCVDO-UHFFFAOYSA-N -1 3 249.335 2.257 20 30 BEEDHM Cc1cccc([O-])c1NC(=O)CCCC#N ZINC000291777499 352289101 /nfs/dbraw/zinc/28/91/01/352289101.db2.gz XASOKUMOOOZXCI-UHFFFAOYSA-N -1 3 218.256 2.333 20 30 BEEDHM C=CCCNC(=O)c1ccc([O-])c(C)c1 ZINC000232368758 352638436 /nfs/dbraw/zinc/63/84/36/352638436.db2.gz PWHBZBPDIATYLF-UHFFFAOYSA-N -1 3 205.257 2.007 20 30 BEEDHM N#Cc1csc(CNCc2ncccc2[O-])c1 ZINC000355288208 188063808 /nfs/dbraw/zinc/06/38/08/188063808.db2.gz JUJWMKRASVCTKB-UHFFFAOYSA-N -1 3 245.307 2.010 20 30 BEEDHM 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CCCCN([O-])C(=O)c1cc[nH]c1CC ZINC000904213709 584855895 /nfs/dbraw/zinc/85/58/95/584855895.db2.gz YCEIIPCOXMWIQS-UHFFFAOYSA-N -1 3 210.277 2.209 20 30 BEEDHM CCCCN([O-])C(=O)C1(c2cc(C)no2)CC1 ZINC000904214900 584856172 /nfs/dbraw/zinc/85/61/72/584856172.db2.gz RBRWRPCQEOKDJW-UHFFFAOYSA-N -1 3 238.287 2.033 20 30 BEEDHM CCCCN([O-])C(=O)C[C@H](C)[C@@H]1CCCO1 ZINC000904214821 584856184 /nfs/dbraw/zinc/85/61/84/584856184.db2.gz OBNGOIBYMUPGET-QWRGUYRKSA-N -1 3 229.320 2.210 20 30 BEEDHM CCCCN([O-])C(=O)c1nccc2[nH]ccc21 ZINC000904214720 584856525 /nfs/dbraw/zinc/85/65/25/584856525.db2.gz KMABEEZPSUPDKV-UHFFFAOYSA-N -1 3 233.271 2.194 20 30 BEEDHM CCCCN([O-])C(=O)c1nn(C)c(C)c1Cl ZINC000904214870 584856564 /nfs/dbraw/zinc/85/65/64/584856564.db2.gz PZKFOXYTBMREGF-UHFFFAOYSA-N -1 3 245.710 2.013 20 30 BEEDHM FC1(F)CC1=CNN=c1[n-]cncc1Cl ZINC000834972000 584916143 /nfs/dbraw/zinc/91/61/43/584916143.db2.gz IVXHJXIFSGWRSU-YFKPBYRVSA-N -1 3 232.621 2.183 20 30 BEEDHM C[C@H](C#N)CNN=Cc1cc(Cl)ccc1[O-] ZINC000771108321 584999751 /nfs/dbraw/zinc/99/97/51/584999751.db2.gz UDEJBDHYCQCKBZ-MRVPVSSYSA-N -1 3 237.690 2.129 20 30 BEEDHM N#Cc1ccc(F)c(NC([O-])=NOCC2CC2)c1 ZINC000888369478 585013505 /nfs/dbraw/zinc/01/35/05/585013505.db2.gz XXSAPSGQGCPCAV-UHFFFAOYSA-N -1 3 249.245 2.160 20 30 BEEDHM N#Cc1ccc(F)c(NC(=O)[N-]OCC2CC2)c1 ZINC000888369478 585013506 /nfs/dbraw/zinc/01/35/06/585013506.db2.gz XXSAPSGQGCPCAV-UHFFFAOYSA-N -1 3 249.245 2.160 20 30 BEEDHM CC1(C)CC[C@H]1OC(=O)c1ccc(C#N)[n-]1 ZINC000821836331 585017851 /nfs/dbraw/zinc/01/78/51/585017851.db2.gz CWMWVXRBCGCEGJ-SNVBAGLBSA-N -1 3 218.256 2.232 20 30 BEEDHM Cn1[n-]ccc1=NN=C1CC[C@@H]1c1ccccc1 ZINC000774414401 585030698 /nfs/dbraw/zinc/03/06/98/585030698.db2.gz HHPAVEJKTCEFNS-GFCCVEGCSA-N -1 3 240.310 2.188 20 30 BEEDHM C#CCCCOC(=O)Cc1ccc([O-])c(F)c1 ZINC000838144901 585047195 /nfs/dbraw/zinc/04/71/95/585047195.db2.gz MHJRBIYSOHURHS-UHFFFAOYSA-N -1 3 236.242 2.030 20 30 BEEDHM CCOc1ccc(CN2CC(C)(C#N)C2)c([O-])c1 ZINC000839132739 585094151 /nfs/dbraw/zinc/09/41/51/585094151.db2.gz QVODSSWRZBMCAM-UHFFFAOYSA-N -1 3 246.310 2.136 20 30 BEEDHM N#Cc1cccc(C=Cc2nccc(=O)[n-]2)c1 ZINC000742221086 585123303 /nfs/dbraw/zinc/12/33/03/585123303.db2.gz XULZDKRHEPDNBG-SNAWJCMRSA-N -1 3 223.235 2.224 20 30 BEEDHM Cn1cccc1C/N=C/c1ccccc1[O-] ZINC000743501613 585137427 /nfs/dbraw/zinc/13/74/27/585137427.db2.gz OTKXOONLKZAJCS-NTEUORMPSA-N -1 3 214.268 2.350 20 30 BEEDHM N#CC(=C([O-])C=CC1CC1)c1ccccn1 ZINC000744025395 585142254 /nfs/dbraw/zinc/14/22/54/585142254.db2.gz KSDWBMUVMOGGPW-JMEBYUIHSA-N -1 3 212.252 2.224 20 30 BEEDHM CC#CCOC(=O)c1cc2ccsc2[n-]1 ZINC000744542552 585151633 /nfs/dbraw/zinc/15/16/33/585151633.db2.gz PRSDLQNKEWXXDT-UHFFFAOYSA-N -1 3 219.265 2.410 20 30 BEEDHM O=C(N[O-])c1cc(-c2cccc(Cl)c2)on1 ZINC000746263994 585166590 /nfs/dbraw/zinc/16/65/90/585166590.db2.gz UZOUEVNBWUVLHV-UHFFFAOYSA-N -1 3 238.630 2.114 20 30 BEEDHM CCOc1ccc(/C=N\Cc2ccon2)c([O-])c1 ZINC000747864202 585185185 /nfs/dbraw/zinc/18/51/85/585185185.db2.gz LGSSQNYHAKIPRN-ZSOIEALJSA-N -1 3 246.266 2.398 20 30 BEEDHM COc1cccc([O-])c1/C=N/CC1CCOCC1 ZINC000749103851 585199476 /nfs/dbraw/zinc/19/94/76/585199476.db2.gz DGCAQGHXRSVUCC-XNTDXEJSSA-N -1 3 249.310 2.246 20 30 BEEDHM CC(C)CON=Cc1cccc(O)c1[O-] ZINC000749630835 585204598 /nfs/dbraw/zinc/20/45/98/585204598.db2.gz BHBDVDCMXIIMIN-UHFFFAOYSA-N -1 3 209.245 2.104 20 30 BEEDHM C#CCCCNC(=O)c1cccc(CC)c1[O-] ZINC000751390919 585229239 /nfs/dbraw/zinc/22/92/39/585229239.db2.gz AFAQEAMWRNOXHV-UHFFFAOYSA-N -1 3 231.295 2.098 20 30 BEEDHM O=C1[N-]c2c(cccc2F)C1=NNC1CCCC1 ZINC000753959344 585273440 /nfs/dbraw/zinc/27/34/40/585273440.db2.gz IAAPDVBAUOHLLJ-UHFFFAOYSA-N -1 3 247.273 2.014 20 30 BEEDHM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N[O-] ZINC000754179512 585279789 /nfs/dbraw/zinc/27/97/89/585279789.db2.gz XPKZMVUYGUUTAO-ZJUUUORDSA-N -1 3 219.284 2.481 20 30 BEEDHM [O-]c1cccc(Cl)c1CN=Nc1ncccn1 ZINC000755635362 585302498 /nfs/dbraw/zinc/30/24/98/585302498.db2.gz XYWMVRCHUHHPRB-UHFFFAOYSA-N -1 3 248.673 2.282 20 30 BEEDHM [O-]c1ccc(F)cc1C=NO[C@@H]1CCCCO1 ZINC000755816311 585307796 /nfs/dbraw/zinc/30/77/96/585307796.db2.gz VNDXJZZNKHRLGW-GFCCVEGCSA-N -1 3 239.246 2.408 20 30 BEEDHM [O-]c1ccccc1C=NNc1ccncc1Cl ZINC000756842520 585324041 /nfs/dbraw/zinc/32/40/41/585324041.db2.gz TXLSFPQXHNQZDZ-UHFFFAOYSA-N -1 3 247.685 2.309 20 30 BEEDHM C=CCCOCC/N=C/c1c([O-])cccc1OC ZINC000756840603 585324122 /nfs/dbraw/zinc/32/41/22/585324122.db2.gz AQAOTTPDWOVSDJ-RVDMUPIBSA-N -1 3 249.310 2.412 20 30 BEEDHM CC[C@@H](C)NN=Cc1ccc(OC)cc1[O-] ZINC000790190168 585331077 /nfs/dbraw/zinc/33/10/77/585331077.db2.gz TXCIAXDPZYWHPZ-SECBINFHSA-N -1 3 222.288 2.123 20 30 BEEDHM [O-]c1ccc(Cl)cc1C=NNC1CC1 ZINC000758128755 585349943 /nfs/dbraw/zinc/34/99/43/585349943.db2.gz DAUBRMWRNJKMIH-UHFFFAOYSA-N -1 3 210.664 2.132 20 30 BEEDHM [O-]c1ccc(C=NOCc2ccc(F)cc2)nc1 ZINC000758143424 585350618 /nfs/dbraw/zinc/35/06/18/585350618.db2.gz RACCDBLAHVYRFN-UHFFFAOYSA-N -1 3 246.241 2.477 20 30 BEEDHM C=CCN(Cc1nc(CC)cc(=O)[n-]1)C(C)C ZINC000758697730 585358649 /nfs/dbraw/zinc/35/86/49/585358649.db2.gz WGPQBCJQOGUEAG-UHFFFAOYSA-N -1 3 235.331 2.141 20 30 BEEDHM CC(C)CO[N-]C(=O)CCCCCC#N ZINC000805192872 585384492 /nfs/dbraw/zinc/38/44/92/585384492.db2.gz XCKKIWSPHMDACX-UHFFFAOYSA-N -1 3 212.293 2.164 20 30 BEEDHM CCCCCCCn1ccc(C=N[O-])nc1=O ZINC000764560747 585467885 /nfs/dbraw/zinc/46/78/85/585467885.db2.gz ZCOBIWRRMURLAG-UHFFFAOYSA-N -1 3 237.303 2.022 20 30 BEEDHM CCCCCC1=CCCC1=N[N-]S(C)(=O)=O ZINC000764697650 585470901 /nfs/dbraw/zinc/47/09/01/585470901.db2.gz BIAVOUNFHPZSML-UHFFFAOYSA-N -1 3 244.360 2.192 20 30 BEEDHM CC(C)C(=N[N-]S(C)(=O)=O)C1CCCCC1 ZINC000764707248 585471431 /nfs/dbraw/zinc/47/14/31/585471431.db2.gz KCPBLIHVGJHIQQ-UHFFFAOYSA-N -1 3 246.376 2.128 20 30 BEEDHM C=CCC(CC=C)C(=O)[N-]OCC(F)(F)F ZINC000766775554 585508415 /nfs/dbraw/zinc/50/84/15/585508415.db2.gz XSHFRYHCNOXXOH-UHFFFAOYSA-N -1 3 237.221 2.365 20 30 BEEDHM Cc1cc(N=NC(C)c2sccc2[O-])ncn1 ZINC000769779897 585563316 /nfs/dbraw/zinc/56/33/16/585563316.db2.gz PSSSWYVXSVNCRG-UHFFFAOYSA-N -1 3 248.311 2.388 20 30 BEEDHM CC(=NN=c1cc(C)[nH]cn1)c1sccc1[O-] ZINC000769779897 585563317 /nfs/dbraw/zinc/56/33/17/585563317.db2.gz PSSSWYVXSVNCRG-UHFFFAOYSA-N -1 3 248.311 2.388 20 30 BEEDHM CC(=NNCC(F)(F)F)c1ccccc1[O-] ZINC000769808403 585564085 /nfs/dbraw/zinc/56/40/85/585564085.db2.gz ONNSQGUUZXCZOL-UHFFFAOYSA-N -1 3 232.205 2.268 20 30 BEEDHM Cc1cc2c(c(F)c1)[N-]C(=O)C2=NNCC(C)C ZINC000771568049 585596447 /nfs/dbraw/zinc/59/64/47/585596447.db2.gz VXKGCMHPAQCTIZ-UHFFFAOYSA-N -1 3 249.289 2.036 20 30 BEEDHM CC(=NN[C@@H](C)CC#N)c1cc(F)ccc1[O-] ZINC000771885029 585603393 /nfs/dbraw/zinc/60/33/93/585603393.db2.gz KJOAEJKUFCNHNF-QMMMGPOBSA-N -1 3 235.262 2.147 20 30 BEEDHM CC(=NN[C@H](C)CC#N)c1ccc(C)cc1[O-] ZINC000771889937 585603822 /nfs/dbraw/zinc/60/38/22/585603822.db2.gz RCFRSSQMGUKRQX-SNVBAGLBSA-N -1 3 231.299 2.316 20 30 BEEDHM C=C(Cl)COC(=O)c1c([O-])cccc1F ZINC000772581738 585618785 /nfs/dbraw/zinc/61/87/85/585618785.db2.gz KJRDTHRYKXZXNU-UHFFFAOYSA-N -1 3 230.622 2.441 20 30 BEEDHM Cn1[n-]ccc1=NN=C[C@@H]1CCCC(C)(C)C1 ZINC000774412323 585657716 /nfs/dbraw/zinc/65/77/16/585657716.db2.gz SFZZIEMBJSAJHT-LLVKDONJSA-N -1 3 234.347 2.456 20 30 BEEDHM C[C@H]1CC(=NN=c2cc[n-]n2C)C[C@H](C)C1 ZINC000774411175 585657788 /nfs/dbraw/zinc/65/77/88/585657788.db2.gz PMOUHDHESMKECT-NXEZZACHSA-N -1 3 220.320 2.066 20 30 BEEDHM COCCON=Cc1cc(Cl)cc(C)c1[O-] ZINC000774587216 585661544 /nfs/dbraw/zinc/66/15/44/585661544.db2.gz LUDDOJAHNHARSJ-UHFFFAOYSA-N -1 3 243.690 2.351 20 30 BEEDHM C#C[C@@H](C)N(C)Cc1cc(Cl)ccc1[O-] ZINC000775183492 585673172 /nfs/dbraw/zinc/67/31/72/585673172.db2.gz NDVOTPVMFOEBNG-SECBINFHSA-N -1 3 223.703 2.499 20 30 BEEDHM C[C@@H](C#N)OC(=O)c1c[n-]c(-c2ccccc2)n1 ZINC000776449260 585698954 /nfs/dbraw/zinc/69/89/54/585698954.db2.gz VPYHONPZCQSBGJ-VIFPVBQESA-N -1 3 241.250 2.146 20 30 BEEDHM COC[C@@H](C)NN=C(C)c1ccc(C)cc1[O-] ZINC000777903479 585723379 /nfs/dbraw/zinc/72/33/79/585723379.db2.gz SCPWWEBDBOPOSD-SNVBAGLBSA-N -1 3 236.315 2.049 20 30 BEEDHM C=C(C)CN(C)C(=O)c1cc([O-])cs1 ZINC000778518265 585736544 /nfs/dbraw/zinc/73/65/44/585736544.db2.gz PWWSELIYFGVCFX-UHFFFAOYSA-N -1 3 211.286 2.102 20 30 BEEDHM CC[C@@H]1C[C@@H](OC(=O)c2ccc(C#N)[n-]2)CCO1 ZINC000779291638 585750196 /nfs/dbraw/zinc/75/01/96/585750196.db2.gz JFBAQYHSSADFMA-MNOVXSKESA-N -1 3 248.282 2.001 20 30 BEEDHM C=CCOCC/N=C/c1ccccc1[O-] ZINC000779706842 585759320 /nfs/dbraw/zinc/75/93/20/585759320.db2.gz IUFWSFGPWNOTOM-JLHYYAGUSA-N -1 3 205.257 2.014 20 30 BEEDHM CC(=NNc1ccncc1)c1ccc([O-])c(F)c1 ZINC000779811304 585766472 /nfs/dbraw/zinc/76/64/72/585766472.db2.gz GATYVFGALGCYHW-UHFFFAOYSA-N -1 3 245.257 2.184 20 30 BEEDHM C[C@H](C(=O)N[O-])c1ccccc1C(F)(F)F ZINC000782169086 585808777 /nfs/dbraw/zinc/80/87/77/585808777.db2.gz CUJKVDOKOCAMGU-LURJTMIESA-N -1 3 233.189 2.314 20 30 BEEDHM CC[C@@H](Sc1ccccc1)C(=O)N[O-] ZINC000782172224 585808953 /nfs/dbraw/zinc/80/89/53/585808953.db2.gz MTJAVCPJGVWENS-SECBINFHSA-N -1 3 211.286 2.063 20 30 BEEDHM Cc1ccc(OCCCC(=O)N[O-])c(Cl)c1 ZINC000782171102 585809155 /nfs/dbraw/zinc/80/91/55/585809155.db2.gz XXWFFNQZAXLEOW-UHFFFAOYSA-N -1 3 243.690 2.313 20 30 BEEDHM O=C(CCc1cccc(OC2CCCC2)c1)N[O-] ZINC000782172009 585809161 /nfs/dbraw/zinc/80/91/61/585809161.db2.gz INSYYNIZSOQIHZ-UHFFFAOYSA-N -1 3 249.310 2.446 20 30 BEEDHM O=C(N[O-])[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000782178258 585809875 /nfs/dbraw/zinc/80/98/75/585809875.db2.gz JDZAENJLCPBFAL-OLZOCXBDSA-N -1 3 227.263 2.449 20 30 BEEDHM C#CCOCC/N=C/c1cc(Cl)ccc1[O-] ZINC000783685957 585840122 /nfs/dbraw/zinc/84/01/22/585840122.db2.gz SKOPHOAXOKMZIH-NTEUORMPSA-N -1 3 237.686 2.114 20 30 BEEDHM C#CC(C)(C)NC(=O)c1ccc(CC)cc1[O-] ZINC000786981315 585899327 /nfs/dbraw/zinc/89/93/27/585899327.db2.gz WIMKLELZWOHCHO-UHFFFAOYSA-N -1 3 231.295 2.096 20 30 BEEDHM C#CCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787849511 585916771 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ISPFYZRLJCBMFS-SSDOTTSWSA-N -1 3 240.353 2.071 20 30 BEEDHM C=C(CC)CNC(=O)c1cc(C)ccc1[O-] ZINC000313491752 384420400 /nfs/dbraw/zinc/42/04/00/384420400.db2.gz LDJTYJYKDNRWMX-UHFFFAOYSA-N -1 3 219.284 2.397 20 30 BEEDHM CCCN(CC#N)C(=O)c1cc(C)ccc1[O-] ZINC000045092340 384375245 /nfs/dbraw/zinc/37/52/45/384375245.db2.gz LSPZFGKTJRPCPN-UHFFFAOYSA-N -1 3 232.283 2.076 20 30 BEEDHM Cn1cc(CCC/N=C/c2ccccc2[O-])cn1 ZINC000102598395 384719590 /nfs/dbraw/zinc/71/95/90/384719590.db2.gz QIQIMNYWNRVPTB-XNTDXEJSSA-N -1 3 243.310 2.177 20 30 BEEDHM C#C[C@H](CC)NCc1c(F)ccc([O-])c1F ZINC000491072983 384813146 /nfs/dbraw/zinc/81/31/46/384813146.db2.gz WSEKGWBZTGYNOX-MRVPVSSYSA-N -1 3 225.238 2.172 20 30 BEEDHM CC[C@H](C#N)Sc1nnc(-c2ccccn2)[n-]1 ZINC000127740445 384942516 /nfs/dbraw/zinc/94/25/16/384942516.db2.gz SROYCJIXOOPTAQ-MRVPVSSYSA-N -1 3 245.311 2.261 20 30 BEEDHM CC[C@H](C#N)Sc1n[n-]c(-c2ccccn2)n1 ZINC000127740445 384942521 /nfs/dbraw/zinc/94/25/21/384942521.db2.gz SROYCJIXOOPTAQ-MRVPVSSYSA-N -1 3 245.311 2.261 20 30 BEEDHM C#C[C@H](CC)NC(=O)c1cc([O-])ccc1Cl ZINC000229942732 385115562 /nfs/dbraw/zinc/11/55/62/385115562.db2.gz PCTDFYKNXOQTSZ-MRVPVSSYSA-N -1 3 237.686 2.187 20 30 BEEDHM C#C[C@@H](C)N(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000491326131 385350929 /nfs/dbraw/zinc/35/09/29/385350929.db2.gz KFQOCBUVMCTZGN-SNVBAGLBSA-N -1 3 231.295 2.103 20 30 BEEDHM Cc1ccc([O-])c(C(=O)N2CC[C@](C)(C#N)C2)c1 ZINC000598410121 385612231 /nfs/dbraw/zinc/61/22/31/385612231.db2.gz KGBIHXMJHUEEEH-CQSZACIVSA-N -1 3 244.294 2.076 20 30 BEEDHM C#C[C@H](CC)NC(=O)c1ccc([O-])c(CC)c1 ZINC000491734186 385729061 /nfs/dbraw/zinc/72/90/61/385729061.db2.gz RSKHBFCWXQMFKS-GFCCVEGCSA-N -1 3 231.295 2.096 20 30 BEEDHM CCc1ccc([C@H](C#N)[N-]C(=O)C(F)F)cc1 ZINC000293265048 386797937 /nfs/dbraw/zinc/79/79/37/386797937.db2.gz HCGMAUKKJLTJPU-JTQLQIEISA-N -1 3 238.237 2.195 20 30 BEEDHM C[C@H](C#N)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000334944393 387021727 /nfs/dbraw/zinc/02/17/27/387021727.db2.gz OCAPBJHAMVOWCR-ZCFIWIBFSA-N -1 3 224.647 2.144 20 30 BEEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000188811136 387105356 /nfs/dbraw/zinc/10/53/56/387105356.db2.gz UGDSDPOOTGXYFS-JTQLQIEISA-N -1 3 243.328 2.303 20 30 BEEDHM C=C(C)CN(CC)[C@@H](C(=O)[O-])c1cccnc1 ZINC000572048064 387226895 /nfs/dbraw/zinc/22/68/95/387226895.db2.gz GGQIJMZVWNZSLJ-GFCCVEGCSA-N -1 3 234.299 2.105 20 30 BEEDHM Cc1cccc(C(=O)NCC(C)(C)CC#N)c1[O-] ZINC000315556982 387381761 /nfs/dbraw/zinc/38/17/61/387381761.db2.gz IYXFCODRWGMGMQ-UHFFFAOYSA-N -1 3 246.310 2.370 20 30 BEEDHM C#CCC(CC#C)C(=O)Nc1ccc(C)cc1[O-] ZINC000277501833 387537943 /nfs/dbraw/zinc/53/79/43/387537943.db2.gz PKNNFMWJCBHSJE-UHFFFAOYSA-N -1 3 241.290 2.302 20 30 BEEDHM C#CCC(C)(C)C(=O)Nc1nc(C)ccc1[O-] ZINC000274527501 387480785 /nfs/dbraw/zinc/48/07/85/387480785.db2.gz YSJIZPKPFCCOEM-UHFFFAOYSA-N -1 3 232.283 2.084 20 30 BEEDHM C=CC[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000163673263 387860636 /nfs/dbraw/zinc/86/06/36/387860636.db2.gz IVRVELZXBWJEID-VIFPVBQESA-N -1 3 205.257 2.087 20 30 BEEDHM C=CCCCC(=O)Nc1ncccc1[O-] ZINC000175129305 387906518 /nfs/dbraw/zinc/90/65/18/387906518.db2.gz PFFDDEQIAAIBGH-UHFFFAOYSA-N -1 3 206.245 2.082 20 30 BEEDHM C=C(C)CN(CC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000179423087 387928917 /nfs/dbraw/zinc/92/89/17/387928917.db2.gz KUSRZDHITXWHEB-UHFFFAOYSA-N -1 3 249.310 2.444 20 30 BEEDHM C#C[C@H](CCC)NC(=O)c1ccc([O-])c(CC)c1 ZINC000491664262 388309552 /nfs/dbraw/zinc/30/95/52/388309552.db2.gz OEACLRXRYCCCKS-CYBMUJFWSA-N -1 3 245.322 2.486 20 30 BEEDHM C[C@@H]1C[C@]1(C#N)C(=O)Nc1cc(F)ccc1[O-] ZINC000336220990 134139604 /nfs/dbraw/zinc/13/96/04/134139604.db2.gz PYPYJKBOCMKWAX-JMCQJSRRSA-N -1 3 234.230 2.020 20 30 BEEDHM C=CCN(CCC#N)C(=O)c1cccc(C)c1[O-] ZINC000293762974 135183554 /nfs/dbraw/zinc/18/35/54/135183554.db2.gz NBSOOJQAUJDOMK-UHFFFAOYSA-N -1 3 244.294 2.243 20 30 BEEDHM CC(C)ON=C([O-])Nc1cccc(OCC#N)c1 ZINC000296591922 135192465 /nfs/dbraw/zinc/19/24/65/135192465.db2.gz JBFWTHBGGQSFKX-UHFFFAOYSA-N -1 3 249.270 2.050 20 30 BEEDHM CC(C)O[N-]C(=O)Nc1cccc(OCC#N)c1 ZINC000296591922 135192466 /nfs/dbraw/zinc/19/24/66/135192466.db2.gz JBFWTHBGGQSFKX-UHFFFAOYSA-N -1 3 249.270 2.050 20 30 BEEDHM C=CCn1c(=O)[n-]nc1SCCC1CC1 ZINC000340695569 135226535 /nfs/dbraw/zinc/22/65/35/135226535.db2.gz LHFUYQDQUBYBDJ-UHFFFAOYSA-N -1 3 225.317 2.062 20 30 BEEDHM C[C@@H](C#N)CN(C)Cc1cc(F)ccc1[O-] ZINC000272291454 397977423 /nfs/dbraw/zinc/97/74/23/397977423.db2.gz OGKBOIVZKZTKDP-VIFPVBQESA-N -1 3 222.263 2.123 20 30 BEEDHM C#Cc1cccc(NC(=O)[N-]OCC(C)C)c1 ZINC000158711321 166222479 /nfs/dbraw/zinc/22/24/79/166222479.db2.gz RMWDSBGAODJKJL-UHFFFAOYSA-N -1 3 232.283 2.377 20 30 BEEDHM C=CCN(CC=C)C(=O)c1cc(OC)ccc1[O-] ZINC000055351811 166332870 /nfs/dbraw/zinc/33/28/70/166332870.db2.gz BTSDLZSFKOSAAO-UHFFFAOYSA-N -1 3 247.294 2.215 20 30 BEEDHM CC[C@H](C#N)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000652167100 411165015 /nfs/dbraw/zinc/16/50/15/411165015.db2.gz KHEMHBLTPMUJFD-SECBINFHSA-N -1 3 246.266 2.083 20 30 BEEDHM CC[C@@H](C)CON=c1ccc(C#N)c[n-]1 ZINC000291774250 411314933 /nfs/dbraw/zinc/31/49/33/411314933.db2.gz HRCZECCONSDUEG-SECBINFHSA-N -1 3 205.261 2.343 20 30 BEEDHM CCCCCCN([O-])C(=O)CSC ZINC000904205311 584852568 /nfs/dbraw/zinc/85/25/68/584852568.db2.gz HFXFLRIEDBUGCE-UHFFFAOYSA-N -1 3 205.323 2.148 20 30 BEEDHM Cc1cc(C(=O)[N-]c2ccc(F)cc2C#N)on1 ZINC000135156317 487796442 /nfs/dbraw/zinc/79/64/42/487796442.db2.gz WDKLJLJIKLACOZ-UHFFFAOYSA-N -1 3 245.213 2.246 20 30 BEEDHM O=C(CCc1cc(Cl)cc(Cl)c1)N[O-] ZINC000671994771 487917758 /nfs/dbraw/zinc/91/77/58/487917758.db2.gz AHNCYNXZTKSLDR-UHFFFAOYSA-N -1 3 234.082 2.431 20 30 BEEDHM O=C(N[O-])C1(c2ccccc2C(F)(F)F)CC1 ZINC000671995414 487919642 /nfs/dbraw/zinc/91/96/42/487919642.db2.gz GLNBXBPJXNCSGG-UHFFFAOYSA-N -1 3 245.200 2.242 20 30 BEEDHM O=C(N[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC000671995521 487921932 /nfs/dbraw/zinc/92/19/32/487921932.db2.gz HCHDOKATDVMFEP-MNOVXSKESA-N -1 3 205.257 2.076 20 30 BEEDHM O=C(CCCCc1ccc(F)cc1)N[O-] 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ZINC000546694596 325301989 /nfs/dbraw/zinc/30/19/89/325301989.db2.gz XHCWFABREATCHR-VIFPVBQESA-N -1 3 244.298 2.042 20 30 BEEDHM N#Cc1ccsc1C(=O)[N-]c1ccncc1F ZINC000156479538 326233902 /nfs/dbraw/zinc/23/39/02/326233902.db2.gz CWBGLRVBXCLVLB-UHFFFAOYSA-N -1 3 247.254 2.406 20 30 BEEDHM C=CCn1c(S[C@H](C)C#CCC)n[n-]c1=O ZINC000677646568 488087387 /nfs/dbraw/zinc/08/73/87/488087387.db2.gz VDDLDFAUJHDMGT-SECBINFHSA-N -1 3 237.328 2.064 20 30 BEEDHM C=C(C)CN(C)Cc1ccccc1C(=O)[O-] ZINC000382489068 487543996 /nfs/dbraw/zinc/54/39/96/487543996.db2.gz YWPGDGBNIGFNMJ-UHFFFAOYSA-N -1 3 219.284 2.393 20 30 BEEDHM C=CCCOCC(=O)Nc1cc(F)ccc1[O-] ZINC000674015743 487501344 /nfs/dbraw/zinc/50/13/44/487501344.db2.gz UDXNOUOBZIJTJE-UHFFFAOYSA-N -1 3 239.246 2.063 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)C1=CC[C@H](C)CC1 ZINC000846553718 582659584 /nfs/dbraw/zinc/65/95/84/582659584.db2.gz DSWZBTCQAWITFZ-VHSXEESVSA-N -1 3 209.289 2.355 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H]1CCC[C@@H](OC)C1 ZINC000846553301 582659328 /nfs/dbraw/zinc/65/93/28/582659328.db2.gz AEDGJKXZRJLNCX-QJPTWQEYSA-N -1 3 241.331 2.204 20 30 BEEDHM C=C[C@@](C)(CC)C(=O)NCc1ncccc1[O-] ZINC000352509964 534612441 /nfs/dbraw/zinc/61/24/41/534612441.db2.gz QXWCRSNGDLHFOB-ZDUSSCGKSA-N -1 3 234.299 2.006 20 30 BEEDHM CC1(C)C[C@H]1/N=C/c1ccc(O)c([O-])c1O ZINC000299075087 534901359 /nfs/dbraw/zinc/90/13/59/534901359.db2.gz QKOIMHITSWNVGS-UWZPUTRXSA-N -1 3 221.256 2.021 20 30 BEEDHM CC#CC[N-]C(=O)C(F)(F)c1ccccc1F ZINC000270914137 526369055 /nfs/dbraw/zinc/36/90/55/526369055.db2.gz SVAQAMONRWRWAT-UHFFFAOYSA-N -1 3 241.212 2.057 20 30 BEEDHM C=CC(C)(C)CNC(=O)/C=C/c1cncc([O-])c1 ZINC000493065685 526949896 /nfs/dbraw/zinc/94/98/96/526949896.db2.gz QTIAILDRYPSMIX-AATRIKPKSA-N -1 3 246.310 2.129 20 30 BEEDHM CC[C@H](CC#N)NCc1ccccc1[O-] ZINC000054182035 536057920 /nfs/dbraw/zinc/05/79/20/536057920.db2.gz YWFRMRQEXILMIY-LLVKDONJSA-N -1 3 204.273 2.174 20 30 BEEDHM CCc1cc(C(=O)N[C@H](CC)CC#N)ccc1[O-] ZINC000291636580 536130322 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/nfs/dbraw/zinc/94/29/80/584942980.db2.gz BSPBYPOVUVFTSH-QVTJDRNWSA-N -1 3 249.310 2.246 20 30 BEEDHM C[C@]1(C/N=C/c2ccccc2[O-])CCOC1 ZINC000733081136 584943063 /nfs/dbraw/zinc/94/30/63/584943063.db2.gz OOBLRRYCGVDLMM-SJWLEHQBSA-N -1 3 219.284 2.238 20 30 BEEDHM C=CC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000735409140 584976762 /nfs/dbraw/zinc/97/67/62/584976762.db2.gz BVTXETCSKHHVIG-MRVPVSSYSA-N -1 3 247.277 2.382 20 30 BEEDHM C=CC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000735409140 584976763 /nfs/dbraw/zinc/97/67/63/584976763.db2.gz BVTXETCSKHHVIG-MRVPVSSYSA-N -1 3 247.277 2.382 20 30 BEEDHM C[C@@H](C#N)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000735505290 584978289 /nfs/dbraw/zinc/97/82/89/584978289.db2.gz QBQKRORZTPJZNM-LURJTMIESA-N -1 3 249.274 2.010 20 30 BEEDHM C[C@@H](C#N)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000735505290 584978290 /nfs/dbraw/zinc/97/82/90/584978290.db2.gz QBQKRORZTPJZNM-LURJTMIESA-N -1 3 249.274 2.010 20 30 BEEDHM CCCCCCCn1cc(-c2nnn[n-]2)cn1 ZINC000736449258 585003275 /nfs/dbraw/zinc/00/32/75/585003275.db2.gz SNQAWZPTXMJQIB-UHFFFAOYSA-N -1 3 234.307 2.034 20 30 BEEDHM CCCCCCCn1cc(-c2nn[n-]n2)cn1 ZINC000736449258 585003276 /nfs/dbraw/zinc/00/32/76/585003276.db2.gz SNQAWZPTXMJQIB-UHFFFAOYSA-N -1 3 234.307 2.034 20 30 BEEDHM CC1(C)CC[C@@H]1OC(=O)c1ccc(C#N)[n-]1 ZINC000821836330 585018018 /nfs/dbraw/zinc/01/80/18/585018018.db2.gz CWMWVXRBCGCEGJ-JTQLQIEISA-N -1 3 218.256 2.232 20 30 BEEDHM C=C(C)COC(=O)Cc1ccc([O-])c(F)c1 ZINC000838141949 585047008 /nfs/dbraw/zinc/04/70/08/585047008.db2.gz UJUQCLMWWREOKQ-UHFFFAOYSA-N -1 3 224.231 2.193 20 30 BEEDHM C=CCON=C([O-])N1CCc2c1cccc2F ZINC000838712748 585067217 /nfs/dbraw/zinc/06/72/17/585067217.db2.gz SUGKWMRERXORLP-UHFFFAOYSA-N -1 3 236.246 2.015 20 30 BEEDHM C=CCO[N-]C(=O)N1CCc2c1cccc2F ZINC000838712748 585067218 /nfs/dbraw/zinc/06/72/18/585067218.db2.gz SUGKWMRERXORLP-UHFFFAOYSA-N -1 3 236.246 2.015 20 30 BEEDHM CC1(C#N)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000839132849 585094008 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/nfs/dbraw/zinc/30/50/48/585305048.db2.gz VUCUEYBKRRLCPV-UHFFFAOYSA-N -1 3 246.245 2.076 20 30 BEEDHM [O-]c1ccc(C=NNc2ccc(Cl)nc2)nc1 ZINC000755755057 585305694 /nfs/dbraw/zinc/30/56/94/585305694.db2.gz XFLVVXFOGJBCHG-UHFFFAOYSA-N -1 3 248.673 2.282 20 30 BEEDHM COc1ccc(NN=Cc2ccc([O-])cn2)cc1 ZINC000755801802 585307476 /nfs/dbraw/zinc/30/74/76/585307476.db2.gz OBNDSCMOOQWFPH-UHFFFAOYSA-N -1 3 243.266 2.242 20 30 BEEDHM CC(C)O[N-]C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000839783189 585342112 /nfs/dbraw/zinc/34/21/12/585342112.db2.gz FTRPGNVUPRCYQQ-QWHCGFSZSA-N -1 3 244.294 2.118 20 30 BEEDHM CCO[C@@H]1COCC[C@H]1/N=C\c1ccccc1[O-] ZINC000758816434 585360225 /nfs/dbraw/zinc/36/02/25/585360225.db2.gz REOJLDYUYLGSDE-NGVDKPIASA-N -1 3 249.310 2.005 20 30 BEEDHM CON=Cc1cc(Cl)cc(OC)c1[O-] ZINC000758869930 585361133 /nfs/dbraw/zinc/36/11/33/585361133.db2.gz IMTJALIVRDLODL-UHFFFAOYSA-N -1 3 215.636 2.035 20 30 BEEDHM CC(=NOCC(F)F)c1ccc([O-])cc1 ZINC000758910799 585362645 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/nfs/dbraw/zinc/50/90/08/585509008.db2.gz IBHITMZGZKXTBF-UHFFFAOYSA-N -1 3 210.254 2.024 20 30 BEEDHM CCN(CC)c1ccc(C=NOC)c([O-])c1 ZINC000767478362 585521082 /nfs/dbraw/zinc/52/10/82/585521082.db2.gz RSRUHTPMUVNIDT-UHFFFAOYSA-N -1 3 222.288 2.219 20 30 BEEDHM CON=Cc1cc(Cl)c([O-])c(OC)c1 ZINC000767489753 585521180 /nfs/dbraw/zinc/52/11/80/585521180.db2.gz GKCONQKBTJASKD-UHFFFAOYSA-N -1 3 215.636 2.035 20 30 BEEDHM CC(N=Nc1ncccn1)c1sccc1[O-] ZINC000769780293 585562887 /nfs/dbraw/zinc/56/28/87/585562887.db2.gz HMKHTWIFNUJDIK-UHFFFAOYSA-N -1 3 234.284 2.080 20 30 BEEDHM C#CC(C)(C)NC(=O)c1cc(CC)ccc1[O-] ZINC000769857957 585565234 /nfs/dbraw/zinc/56/52/34/585565234.db2.gz QZQAAGZLVKQBBK-UHFFFAOYSA-N -1 3 231.295 2.096 20 30 BEEDHM CC(=NN[C@@H](C)CC#N)c1ccc(C)cc1[O-] ZINC000771889935 585603832 /nfs/dbraw/zinc/60/38/32/585603832.db2.gz RCFRSSQMGUKRQX-JTQLQIEISA-N -1 3 231.299 2.316 20 30 BEEDHM C#C[C@@H]([N-]c1nc(C2CC2)ns1)[C@@H]1CCCO1 ZINC000772255079 585611191 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/nfs/dbraw/zinc/65/82/03/585658203.db2.gz KPXYUBIDCVPGQX-UHFFFAOYSA-N -1 3 241.262 2.308 20 30 BEEDHM O=C1[N-]c2c(cccc2F)C1=NOC1CCCC1 ZINC000774608490 585662114 /nfs/dbraw/zinc/66/21/14/585662114.db2.gz OKGBDPKHQPVTCY-UHFFFAOYSA-N -1 3 248.257 2.441 20 30 BEEDHM Cc1cc(COC(=O)c2ccc(C#N)[n-]2)ns1 ZINC000774776372 585665529 /nfs/dbraw/zinc/66/55/29/585665529.db2.gz SGLSFJQAKWRFSR-UHFFFAOYSA-N -1 3 247.279 2.008 20 30 BEEDHM CC(C)(C)CC(=O)COC(=O)c1ccc(C#N)[n-]1 ZINC000805541448 585675267 /nfs/dbraw/zinc/67/52/67/585675267.db2.gz HWLXBNWYFHJNIE-UHFFFAOYSA-N -1 3 248.282 2.048 20 30 BEEDHM CC(C)(C#N)CCOC(=O)c1ccc([O-])cc1 ZINC000776360789 585696492 /nfs/dbraw/zinc/69/64/92/585696492.db2.gz XDSKOVPYKARRPY-UHFFFAOYSA-N -1 3 233.267 2.489 20 30 BEEDHM C[C@H](C#N)OC(=O)c1c[n-]c(-c2ccccc2)n1 ZINC000776449253 585698931 /nfs/dbraw/zinc/69/89/31/585698931.db2.gz VPYHONPZCQSBGJ-SECBINFHSA-N -1 3 241.250 2.146 20 30 BEEDHM CCCCCCCCOC(=O)c1cnn[n-]1 ZINC000805608766 585735706 /nfs/dbraw/zinc/73/57/06/585735706.db2.gz JBNSJDKONQWBFW-UHFFFAOYSA-N -1 3 225.292 2.322 20 30 BEEDHM CCCCCCCCOC(=O)c1c[n-]nn1 ZINC000805608766 585735707 /nfs/dbraw/zinc/73/57/07/585735707.db2.gz JBNSJDKONQWBFW-UHFFFAOYSA-N -1 3 225.292 2.322 20 30 BEEDHM [O-]c1c(Cl)cccc1C=NNc1ccncc1 ZINC000779808666 585765470 /nfs/dbraw/zinc/76/54/70/585765470.db2.gz GFAAHSOUFGIPJF-UHFFFAOYSA-N -1 3 247.685 2.309 20 30 BEEDHM Cc1cc(C(=O)/C=C\c2cncnc2)ccc1[O-] ZINC000781110588 585790513 /nfs/dbraw/zinc/79/05/13/585790513.db2.gz IDUNGCIJYODIPM-RQOWECAXSA-N -1 3 240.262 2.387 20 30 BEEDHM CC[C@H](Sc1ccccc1)C(=O)N[O-] ZINC000782172225 585809091 /nfs/dbraw/zinc/80/90/91/585809091.db2.gz MTJAVCPJGVWENS-VIFPVBQESA-N -1 3 211.286 2.063 20 30 BEEDHM CC1(C)CCC[C@H]1NN=Cc1ccc([O-])cn1 ZINC000782286210 585813832 /nfs/dbraw/zinc/81/38/32/585813832.db2.gz GXPBUXBXTOBWTN-GFCCVEGCSA-N -1 3 233.315 2.289 20 30 BEEDHM [O-]c1ccccc1/C=N\CC[C@H]1CCOC1 ZINC000783686123 585840239 /nfs/dbraw/zinc/84/02/39/585840239.db2.gz 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C=C[C@@H](C)ON=C(C)c1ccc(O)cc1[O-] ZINC000844622515 588210208 /nfs/dbraw/zinc/21/02/08/588210208.db2.gz FETYCAMWYHJDIQ-MRVPVSSYSA-N -1 3 221.256 2.413 20 30 BEEDHM C=C[C@H](C)ON=Cc1ccc(OC)cc1[O-] ZINC000844625993 588211173 /nfs/dbraw/zinc/21/11/73/588211173.db2.gz WOCRQHFNYTUIKB-VIFPVBQESA-N -1 3 221.256 2.326 20 30 BEEDHM C=C(C)CON=C([O-])Nc1cc(C)cc(C)n1 ZINC000844628603 588211733 /nfs/dbraw/zinc/21/17/33/588211733.db2.gz ACPDFPZNXFWPEU-UHFFFAOYSA-N -1 3 235.287 2.328 20 30 BEEDHM C=C(C)CO[N-]C(=O)Nc1cc(C)cc(C)n1 ZINC000844628603 588211735 /nfs/dbraw/zinc/21/17/35/588211735.db2.gz ACPDFPZNXFWPEU-UHFFFAOYSA-N -1 3 235.287 2.328 20 30 BEEDHM C=C(C)CON=C([O-])Nc1c(C)ccnc1C ZINC000844658583 588212872 /nfs/dbraw/zinc/21/28/72/588212872.db2.gz UWGVYDDADAGMFD-UHFFFAOYSA-N -1 3 235.287 2.328 20 30 BEEDHM C=C(C)CO[N-]C(=O)Nc1c(C)ccnc1C ZINC000844658583 588212873 /nfs/dbraw/zinc/21/28/73/588212873.db2.gz UWGVYDDADAGMFD-UHFFFAOYSA-N -1 3 235.287 2.328 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)C1C(C)(C)C1(C)C ZINC000846549054 588269768 /nfs/dbraw/zinc/26/97/68/588269768.db2.gz XFPMKRZPNNGHKD-QMMMGPOBSA-N -1 3 211.305 2.291 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)CCCCSC ZINC000846545431 588269880 /nfs/dbraw/zinc/26/98/80/588269880.db2.gz OGELGYGCIPLZFE-VIFPVBQESA-N -1 3 217.334 2.142 20 30 BEEDHM C=C(C)CONC(=O)c1ccc([O-])c(CC)c1 ZINC000846533474 588270560 /nfs/dbraw/zinc/27/05/60/588270560.db2.gz JIOLIMXRRIENLB-UHFFFAOYSA-N -1 3 235.283 2.192 20 30 BEEDHM C=C(C)CO[N-]C(=O)[C@H](CC)CC(F)F ZINC000846533505 588270632 /nfs/dbraw/zinc/27/06/32/588270632.db2.gz AMYLUPIFIDWXPW-MRVPVSSYSA-N -1 3 221.247 2.292 20 30 BEEDHM C=C(C)CO[N-]C(=O)CCc1scnc1C ZINC000846534118 588270729 /nfs/dbraw/zinc/27/07/29/588270729.db2.gz LLEODZQLIDVEFY-UHFFFAOYSA-N -1 3 240.328 2.008 20 30 BEEDHM C=C(C)CO[N-]C(=O)C[C@H](O)CC[C@H](C)CC ZINC000846534365 588270820 /nfs/dbraw/zinc/27/08/20/588270820.db2.gz YJCGALLRFHLVDF-VXGBXAGGSA-N -1 3 243.347 2.188 20 30 BEEDHM C=C(C)CO[N-]C(=O)C1Cc2ccccc2C1 ZINC000846535323 588271036 /nfs/dbraw/zinc/27/10/36/588271036.db2.gz XYJBCUZVAKHVLB-UHFFFAOYSA-N -1 3 231.295 2.025 20 30 BEEDHM C=C(C)CO[N-]C(=O)Cc1ccc(F)cc1F ZINC000846537697 588272150 /nfs/dbraw/zinc/27/21/50/588272150.db2.gz OQTZIQYUMLJONQ-UHFFFAOYSA-N -1 3 241.237 2.131 20 30 BEEDHM C=C(C)CO[N-]C(=O)Cc1cccc(C)c1 ZINC000846539807 588272554 /nfs/dbraw/zinc/27/25/54/588272554.db2.gz OBNKBKXHRFXWBF-UHFFFAOYSA-N -1 3 219.284 2.161 20 30 BEEDHM C=C(C)CO[N-]C(=O)CCOCc1ccccc1 ZINC000846539757 588272643 /nfs/dbraw/zinc/27/26/43/588272643.db2.gz MRMDSRDHBKWDFW-UHFFFAOYSA-N -1 3 249.310 2.217 20 30 BEEDHM C=C(C)CO[N-]C(=O)CCc1ccccc1OC ZINC000846541538 588273041 /nfs/dbraw/zinc/27/30/41/588273041.db2.gz YNNRKNHBODITKM-UHFFFAOYSA-N -1 3 249.310 2.252 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccccc1OC ZINC000846541506 588273085 /nfs/dbraw/zinc/27/30/85/588273085.db2.gz HUGHNWZHYNACHR-NSHDSACASA-N -1 3 249.310 2.250 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)CCc1cccs1 ZINC000846543303 588273281 /nfs/dbraw/zinc/27/32/81/588273281.db2.gz NKWVUXGFXCWZRM-VIFPVBQESA-N -1 3 225.313 2.303 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)CCO[C@H](C)CC(C)C ZINC000846544992 588273588 /nfs/dbraw/zinc/27/35/88/588273588.db2.gz DHGLZSGLOOLECZ-VXGBXAGGSA-N -1 3 243.347 2.450 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)n1cccc1 ZINC000846546640 588274164 /nfs/dbraw/zinc/27/41/64/588274164.db2.gz XCAGYVCXLBDZHT-GHMZBOCLSA-N -1 3 222.288 2.062 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)CN(C)CCCCCC ZINC000846546847 588274213 /nfs/dbraw/zinc/27/42/13/588274213.db2.gz ZDYKYMMGJMIOFT-GFCCVEGCSA-N -1 3 242.363 2.121 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)C12CCC(CC1)C2 ZINC000846548648 588274758 /nfs/dbraw/zinc/27/47/58/588274758.db2.gz KVIFFDQQBBBAIZ-BMQDGWLCSA-N -1 3 209.289 2.189 20 30 BEEDHM C=C[C@@H](C)ONC(=O)c1cc(CC)ccc1[O-] ZINC000846550828 588275521 /nfs/dbraw/zinc/27/55/21/588275521.db2.gz UTSZUKOJKCYVNL-SECBINFHSA-N -1 3 235.283 2.191 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000846552360 588276167 /nfs/dbraw/zinc/27/61/67/588276167.db2.gz GESPLUBWGROHII-WCFLWFBJSA-N -1 3 231.295 2.412 20 30 BEEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCCCC(=O)C1 ZINC000846553007 588276207 /nfs/dbraw/zinc/27/62/07/588276207.db2.gz VEJCNTDBBSRTBN-WDEREUQCSA-N -1 3 239.315 2.148 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000846553955 588276738 /nfs/dbraw/zinc/27/67/38/588276738.db2.gz GESPLUBWGROHII-RTXFEEFZSA-N -1 3 231.295 2.412 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccsc1C ZINC000846556178 588277181 /nfs/dbraw/zinc/27/71/81/588277181.db2.gz YWBGFEKDLYHISB-MRVPVSSYSA-N -1 3 225.313 2.221 20 30 BEEDHM COCC1(C/N=C/c2c([O-])cccc2OC)CC1 ZINC000846755880 588286119 /nfs/dbraw/zinc/28/61/19/588286119.db2.gz DUYCRWVLYNCOSJ-OVCLIPMQSA-N -1 3 249.310 2.246 20 30 BEEDHM CCc1cccc(C=NOC[C@@H]2CCOC2)c1[O-] ZINC000848409007 588379590 /nfs/dbraw/zinc/37/95/90/588379590.db2.gz JCGUNBIVPWKFQV-LLVKDONJSA-N -1 3 249.310 2.342 20 30 BEEDHM C[C@@H]1C[C@@H](/N=C/c2ccccc2[O-])c2ncnn21 ZINC000849169914 588459419 /nfs/dbraw/zinc/45/94/19/588459419.db2.gz INHWQNKPUFRQKI-FNIODWGPSA-N -1 3 242.282 2.109 20 30 BEEDHM COc1cccc([O-])c1/C=N/[C@H]1COC(C)(C)C1 ZINC000849170058 588459544 /nfs/dbraw/zinc/45/95/44/588459544.db2.gz JWPKHRDXAOJQSY-XBLUXWHVSA-N -1 3 249.310 2.387 20 30 BEEDHM CC(C)(F)CC/N=C/c1ccc(O)c([O-])c1O ZINC000849171612 588459895 /nfs/dbraw/zinc/45/98/95/588459895.db2.gz AWBZKFIUMXRGSZ-VGOFMYFVSA-N -1 3 241.262 2.361 20 30 BEEDHM N#CCC1(COC(=O)c2ccc([O-])cc2)CC1 ZINC000849627811 588481796 /nfs/dbraw/zinc/48/17/96/588481796.db2.gz IUFYIWBOHRQCDA-UHFFFAOYSA-N -1 3 231.251 2.243 20 30 BEEDHM C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(C#N)[n-]1 ZINC000851207856 588596915 /nfs/dbraw/zinc/59/69/15/588596915.db2.gz IJTMNTQXUKLEGV-VIFPVBQESA-N -1 3 245.282 2.372 20 30 BEEDHM N#Cc1ccc(C(=O)OC[C@@H]2C[C@H]3C[C@H]3C2)[n-]1 ZINC000851228347 588597644 /nfs/dbraw/zinc/59/76/44/588597644.db2.gz PHPBVVBHUIOZPH-ILWJIGKKSA-N -1 3 230.267 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247.294 2.004 20 30 BEEDHM CC(C(=O)[N-]Oc1cccc(C#N)c1)=C1CCC1 ZINC000870690286 589684171 /nfs/dbraw/zinc/68/41/71/589684171.db2.gz LZZFRGDKTFRLCH-UHFFFAOYSA-N -1 3 242.278 2.469 20 30 BEEDHM C#CCn1[n-]c(-c2cccc(C)c2)c(CC)c1=O ZINC000871961647 589846053 /nfs/dbraw/zinc/84/60/53/589846053.db2.gz SNVAEBKVKKMHOR-CYBMUJFWSA-N -1 3 240.306 2.201 20 30 BEEDHM C=CCOCCN[C@@H](C)c1cccc([O-])c1F ZINC000872059915 589862725 /nfs/dbraw/zinc/86/27/25/589862725.db2.gz KTHQBCIJIRWPLB-JTQLQIEISA-N -1 3 239.290 2.385 20 30 BEEDHM Cc1ccc(C=NNCC(F)(F)F)c([O-])c1 ZINC000872367388 589921713 /nfs/dbraw/zinc/92/17/13/589921713.db2.gz VNNYOMVVWHJRIP-UHFFFAOYSA-N -1 3 232.205 2.186 20 30 BEEDHM Cc1ccc(C=NOC[C@H]2CCOC2)c([O-])c1 ZINC000872368646 589922359 /nfs/dbraw/zinc/92/23/59/589922359.db2.gz LUYWXHYOBUGNLE-NSHDSACASA-N -1 3 235.283 2.088 20 30 BEEDHM Cc1ccc(C=NN[C@@H]2CCSC2)c([O-])c1 ZINC000872373625 589924200 /nfs/dbraw/zinc/92/42/00/589924200.db2.gz HSUPBNVYOLUPKC-LLVKDONJSA-N -1 3 236.340 2.130 20 30 BEEDHM C=C[C@H]1CCCCN1c1cc(Cl)n[n-]c1=O ZINC000872525862 589946906 /nfs/dbraw/zinc/94/69/06/589946906.db2.gz VDWKFKZYWWACLC-QMMMGPOBSA-N -1 3 239.706 2.381 20 30 BEEDHM C[C@@H](OC(=O)c1ccc(C#N)[n-]1)[C@@H]1CC12CC2 ZINC000873627168 590064410 /nfs/dbraw/zinc/06/44/10/590064410.db2.gz TTWVWWAFVVXYRF-SCZZXKLOSA-N -1 3 230.267 2.232 20 30 BEEDHM C#CCCCC(=O)[N-]Oc1ccccc1F ZINC000874910743 590154415 /nfs/dbraw/zinc/15/44/15/590154415.db2.gz ZWKZVHRSXLJKHZ-UHFFFAOYSA-N -1 3 221.231 2.039 20 30 BEEDHM Cc1ccc(C([O-])=C(C#N)c2ccccn2)nc1 ZINC000126063846 590222513 /nfs/dbraw/zinc/22/25/13/590222513.db2.gz KCQQQWPZZSCWJH-NSHDSACASA-N -1 3 237.262 2.275 20 30 BEEDHM CCN(CC#N)Cc1ccc(C)cc1[O-] ZINC000876632264 590224506 /nfs/dbraw/zinc/22/45/06/590224506.db2.gz RXWLKDXGONMUTA-UHFFFAOYSA-N -1 3 204.273 2.046 20 30 BEEDHM C=CC[C@H]1CCN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000876994180 590266126 /nfs/dbraw/zinc/26/61/26/590266126.db2.gz CFQRYZBMSFQYFL-JTQLQIEISA-N -1 3 246.310 2.013 20 30 BEEDHM Cc1ccc(CN(CCC#N)CCC#N)c([O-])c1 ZINC000877139137 590291698 /nfs/dbraw/zinc/29/16/98/590291698.db2.gz IMNQTACZJVJQDG-UHFFFAOYSA-N -1 3 243.310 2.330 20 30 BEEDHM Cc1ccc(CN2CC[C@@](C)(C#N)C2)c([O-])c1 ZINC000877637582 590381784 /nfs/dbraw/zinc/38/17/84/590381784.db2.gz WWFWMZHWGCURTI-AWEZNQCLSA-N -1 3 230.311 2.436 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H]1CCC(C)(C)CO1 ZINC000880548853 591089199 /nfs/dbraw/zinc/08/91/99/591089199.db2.gz FVSXKXPUNVSPFD-GHMZBOCLSA-N -1 3 241.331 2.204 20 30 BEEDHM C#CC1([N-]C(=O)C(F)(F)CC)CCCC1 ZINC000882529975 591383598 /nfs/dbraw/zinc/38/35/98/591383598.db2.gz DOSUJPKNNGUULX-UHFFFAOYSA-N -1 3 215.243 2.094 20 30 BEEDHM [O-]c1c(O)ccc(/C=N\C[C@H]2C=CCC2)c1O ZINC000887268326 592473483 /nfs/dbraw/zinc/47/34/83/592473483.db2.gz JADFVRIDGBVJAE-JNNKLVPLSA-N -1 3 233.267 2.189 20 30 BEEDHM [O-]c1c(O)ccc(/C=N/C[C@@H]2C=CCC2)c1O ZINC000887268327 592473642 /nfs/dbraw/zinc/47/36/42/592473642.db2.gz JADFVRIDGBVJAE-MBBDXHFBSA-N -1 3 233.267 2.189 20 30 BEEDHM 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228.242 2.250 20 30 BEEDHM C#C[C@H]1CCCCN1Cc1cccc(C(=O)[O-])c1 ZINC001573302694 992597191 /nfs/dbraw/zinc/59/71/91/992597191.db2.gz PDBYOODEIPUNPI-AWEZNQCLSA-N -1 3 243.306 2.373 20 30 BEEDHM CC#CC[C@H](NCc1cccc(C)c1F)C(=O)[O-] ZINC001262164575 992730476 /nfs/dbraw/zinc/73/04/76/992730476.db2.gz NNDUHPZLXAEZQU-LBPRGKRZSA-N -1 3 249.285 2.090 20 30 BEEDHM C=CCCO[N-]C(=O)Cc1c[nH]c2ccccc12 ZINC001301632779 995099639 /nfs/dbraw/zinc/09/96/39/995099639.db2.gz GAHWIZXFVMONEO-UHFFFAOYSA-N -1 3 244.294 2.334 20 30 BEEDHM C=CCO[N-]C(=O)c1c(F)ccc(F)c1Cl ZINC001636770150 1171878826 /nfs/dbraw/zinc/87/88/26/1171878826.db2.gz BEFQCWLSWZIYGV-UHFFFAOYSA-N -1 3 247.628 2.466 20 30 BEEDHM N#Cc1cc(C(=O)Nc2ccc([O-])cc2F)co1 ZINC001637062278 1171900052 /nfs/dbraw/zinc/90/00/52/1171900052.db2.gz AXGCTJLELBAMBN-UHFFFAOYSA-N -1 3 246.197 2.248 20 30 BEEDHM CC#CCN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000293274520 398257941 /nfs/dbraw/zinc/25/79/41/398257941.db2.gz VCKMKRWZIGSBJU-UHFFFAOYSA-N -1 3 249.285 2.189 20 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CC[C@H](NC(=O)c1cc(C)ccc1[O-])[C@H](C)O ZINC000331316891 345076756 /nfs/dbraw/zinc/07/67/56/345076756.db2.gz JJNWYHXJWZNTJL-ONGXEEELSA-N -1 3 237.299 2.165 20 30 BEEDHM Cc1cc(Cl)cc(NC(=O)CC#N)c1[O-] ZINC000185721181 345948925 /nfs/dbraw/zinc/94/89/25/345948925.db2.gz PWPXXYIXINBOJS-UHFFFAOYSA-N -1 3 224.647 2.206 20 30 BEEDHM Cc1ccc(NC(=O)CC2(C#N)CC2)c([O-])c1 ZINC000590126845 346778170 /nfs/dbraw/zinc/77/81/70/346778170.db2.gz YRPGONOSOWJHJN-UHFFFAOYSA-N -1 3 230.267 2.333 20 30 BEEDHM CCCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000590568817 347470297 /nfs/dbraw/zinc/47/02/97/347470297.db2.gz FNIGOVZQPDSPNZ-UHFFFAOYSA-N -1 3 215.709 2.302 20 30 BEEDHM CC(C)c1ccc(C(=O)N[C@H](C)C#N)c([O-])c1 ZINC000334324871 347582523 /nfs/dbraw/zinc/58/25/23/347582523.db2.gz AOWWKVPSHSJJJJ-SECBINFHSA-N -1 3 232.283 2.157 20 30 BEEDHM C=CCCO[C@@H](C)C(=O)[N-]c1onc(C)c1C ZINC000267099060 166275436 /nfs/dbraw/zinc/27/54/36/166275436.db2.gz OCFSEFCVEFRBDZ-JTQLQIEISA-N -1 3 238.287 2.211 20 30 BEEDHM CC[C@H](C#N)C(=O)Nc1ccc(C)cc1[O-] ZINC000593386100 347886010 /nfs/dbraw/zinc/88/60/10/347886010.db2.gz OTQSYUAXGWKUSZ-SECBINFHSA-N -1 3 218.256 2.189 20 30 BEEDHM CC[C@@H](C#N)C(=O)N1CCCc2cccc([O-])c21 ZINC000593569918 347912608 /nfs/dbraw/zinc/91/26/08/347912608.db2.gz QLHXUSCBFCRAKI-JTQLQIEISA-N -1 3 244.294 2.221 20 30 BEEDHM C[C@@H]1C[C@@H]1CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596077143 348438902 /nfs/dbraw/zinc/43/89/02/348438902.db2.gz IJWGEOUOYVIRMD-PHDIDXHHSA-N -1 3 227.720 2.158 20 30 BEEDHM C[C@@H]1C[C@H]1CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596077144 348438927 /nfs/dbraw/zinc/43/89/27/348438927.db2.gz IJWGEOUOYVIRMD-RITPCOANSA-N -1 3 227.720 2.158 20 30 BEEDHM C#CCCCSc1n[n-]c(-c2ccccn2)n1 ZINC000270807648 187399138 /nfs/dbraw/zinc/39/91/38/187399138.db2.gz CFCMIBRLELAWJI-UHFFFAOYSA-N -1 3 244.323 2.372 20 30 BEEDHM CCN(C(=O)c1cc(C)ccc1[O-])[C@@H](C)C#N ZINC000598348810 348935858 /nfs/dbraw/zinc/93/58/58/348935858.db2.gz CLSWWXMWWQHDCU-JTQLQIEISA-N -1 3 232.283 2.075 20 30 BEEDHM CCN(C(=O)c1cccc(C)c1[O-])[C@H](C)C#N ZINC000598349289 348936283 /nfs/dbraw/zinc/93/62/83/348936283.db2.gz FLKLTHMZNCRDKM-SNVBAGLBSA-N -1 3 232.283 2.075 20 30 BEEDHM Cc1ccc(C(=O)N([C@@H](C)C#N)C2CC2)c([O-])c1 ZINC000598132458 348899575 /nfs/dbraw/zinc/89/95/75/348899575.db2.gz JKEWXIPVDAUFOJ-JTQLQIEISA-N -1 3 244.294 2.217 20 30 BEEDHM Cc1cc(C(=O)N2CC[C@](C)(C#N)C2)ccc1[O-] ZINC000598416935 348970561 /nfs/dbraw/zinc/97/05/61/348970561.db2.gz FPBFURSLPHGHKC-CQSZACIVSA-N -1 3 244.294 2.076 20 30 BEEDHM Cc1cccc([O-])c1C(=O)N[C@@]1(C#N)CC1(C)C ZINC000599955427 349273917 /nfs/dbraw/zinc/27/39/17/349273917.db2.gz MPSISVNBPQOUIT-CQSZACIVSA-N -1 3 244.294 2.123 20 30 BEEDHM C=CCN(CCC#N)C(=O)c1c(C)cccc1[O-] ZINC000599962441 349275076 /nfs/dbraw/zinc/27/50/76/349275076.db2.gz QDDMJNLEXFWIJX-UHFFFAOYSA-N -1 3 244.294 2.243 20 30 BEEDHM C=C(C)CN(CC)Cc1nc(C)ccc1[O-] ZINC000158993191 191107264 /nfs/dbraw/zinc/10/72/64/191107264.db2.gz KSFVXZIBLLQFJO-UHFFFAOYSA-N -1 3 220.316 2.494 20 30 BEEDHM Cc1cc(C(=O)N[C@@H](C#N)C(C)(C)C)ccc1[O-] ZINC000272580015 351486700 /nfs/dbraw/zinc/48/67/00/351486700.db2.gz DWKWNRZFVXVTRW-LBPRGKRZSA-N -1 3 246.310 2.369 20 30 BEEDHM CC(C)=CCC/N=C/c1c([O-])c(C)ncc1CO ZINC000276532940 351628653 /nfs/dbraw/zinc/62/86/53/351628653.db2.gz CUELFRRHAVBIDJ-OVCLIPMQSA-N -1 3 248.326 2.363 20 30 BEEDHM CC(C)(C#N)CC(=O)[N-]OCc1ccccc1 ZINC000278699129 351778139 /nfs/dbraw/zinc/77/81/39/351778139.db2.gz FSSSEYIOVPNFRN-UHFFFAOYSA-N -1 3 232.283 2.174 20 30 BEEDHM CC(C)(C#N)CC(=O)Nc1ccccc1[O-] ZINC000278779520 351783258 /nfs/dbraw/zinc/78/32/58/351783258.db2.gz XPTPKEHNKHIXOP-UHFFFAOYSA-N -1 3 218.256 2.271 20 30 BEEDHM CCN(CC#N)Cc1c(F)ccc([O-])c1F ZINC000281077200 351874374 /nfs/dbraw/zinc/87/43/74/351874374.db2.gz UDEXQXLRIDFYJD-UHFFFAOYSA-N -1 3 226.226 2.016 20 30 BEEDHM C#C[C@@H](/N=C/c1ccc(O)c([O-])c1O)C(C)(C)C ZINC000287222152 352118047 /nfs/dbraw/zinc/11/80/47/352118047.db2.gz NKRFCBQRCIPLAV-OXFWXOROSA-N -1 3 247.294 2.270 20 30 BEEDHM C=CCCC1(CNC(=O)c2c[n-]nn2)CCCC1 ZINC000617416261 352629382 /nfs/dbraw/zinc/62/93/82/352629382.db2.gz HTMWUJMTUCILAT-UHFFFAOYSA-N -1 3 248.330 2.061 20 30 BEEDHM C=CCCC1(CNC(=O)c2cnn[n-]2)CCCC1 ZINC000617416261 352629385 /nfs/dbraw/zinc/62/93/85/352629385.db2.gz HTMWUJMTUCILAT-UHFFFAOYSA-N -1 3 248.330 2.061 20 30 BEEDHM C=CCCC1(CNC(=O)c2cn[n-]n2)CCCC1 ZINC000617416261 352629388 /nfs/dbraw/zinc/62/93/88/352629388.db2.gz HTMWUJMTUCILAT-UHFFFAOYSA-N -1 3 248.330 2.061 20 30 BEEDHM CC[C@](C)(C#N)C(=O)Nc1cccc([O-])c1F ZINC000334208446 352804578 /nfs/dbraw/zinc/80/45/78/352804578.db2.gz FFACVVCXXMHGNW-GFCCVEGCSA-N -1 3 236.246 2.410 20 30 BEEDHM C=C(C)CN(CC)C(=O)c1ccccc1[O-] ZINC000019839050 188059000 /nfs/dbraw/zinc/05/90/00/188059000.db2.gz DLJAGZOKZVVQTO-UHFFFAOYSA-N -1 3 219.284 2.430 20 30 BEEDHM C=C(C)CN(CC)C(=O)c1cccc(O)c1[O-] ZINC000126216548 353248290 /nfs/dbraw/zinc/24/82/90/353248290.db2.gz NHFFPUCFLUWCQB-UHFFFAOYSA-N -1 3 235.283 2.136 20 30 BEEDHM C#CCCCCNC(=O)c1cc(C)ccc1[O-] 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/nfs/dbraw/zinc/85/56/25/584855625.db2.gz DGALQWNWZQLDMI-NSHDSACASA-N -1 3 229.320 2.210 20 30 BEEDHM CCCCN([O-])C(=O)[C@@H]1CCC(F)(F)C1 ZINC000904213591 584855720 /nfs/dbraw/zinc/85/57/20/584855720.db2.gz TVUXYWFADTVIGI-MRVPVSSYSA-N -1 3 221.247 2.440 20 30 BEEDHM CCCCN([O-])C(=O)C1(OCC)CCCC1 ZINC000904213737 584855736 /nfs/dbraw/zinc/85/57/36/584855736.db2.gz YYEZUXKJOAOYGM-UHFFFAOYSA-N -1 3 229.320 2.354 20 30 BEEDHM CCCCN([O-])C(=O)[C@]1(C)CC1(F)F ZINC000904214479 584855917 /nfs/dbraw/zinc/85/59/17/584855917.db2.gz ACURKBRAZOPQBV-QMMMGPOBSA-N -1 3 207.220 2.050 20 30 BEEDHM CCCCN([O-])C(=O)c1ccc(C#N)c(OC)c1 ZINC000904214484 584855924 /nfs/dbraw/zinc/85/59/24/584855924.db2.gz AJPWWCQDXMZLEC-UHFFFAOYSA-N -1 3 248.282 2.198 20 30 BEEDHM C#Cc1ccc(C(=O)N([O-])CCCC)cc1 ZINC000904214963 584856059 /nfs/dbraw/zinc/85/60/59/584856059.db2.gz UHMYYHMHXWUTEZ-UHFFFAOYSA-N -1 3 217.268 2.299 20 30 BEEDHM CCCCN([O-])C(=O)C1(COC)CCCC1 ZINC000904214797 584856099 /nfs/dbraw/zinc/85/60/99/584856099.db2.gz NICAXDQHXIXESJ-UHFFFAOYSA-N -1 3 229.320 2.211 20 30 BEEDHM C=CCC1(C(=O)N([O-])CCCC)CCOCC1 ZINC000904214728 584856232 /nfs/dbraw/zinc/85/62/32/584856232.db2.gz KRNRJSUVEVWDRF-UHFFFAOYSA-N -1 3 241.331 2.377 20 30 BEEDHM C[C@@H](/N=C/c1ccc(O)c([O-])c1O)c1ccc[nH]1 ZINC000760230613 584907249 /nfs/dbraw/zinc/90/72/49/584907249.db2.gz YVAHWPITNXVMQE-BQNBSLLUSA-N -1 3 246.266 2.312 20 30 BEEDHM [O-]c1c(O)cccc1C=NNc1ccc(F)cn1 ZINC000731317751 584925033 /nfs/dbraw/zinc/92/50/33/584925033.db2.gz FIGIVCRQELDIIZ-UHFFFAOYSA-N -1 3 247.229 2.078 20 30 BEEDHM COc1cccc([O-])c1/C=N/C[C@]1(C)CCOC1 ZINC000733080805 584943101 /nfs/dbraw/zinc/94/31/01/584943101.db2.gz BSPBYPOVUVFTSH-GFKDLEGOSA-N -1 3 249.310 2.246 20 30 BEEDHM C=CC[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000735124898 584973425 /nfs/dbraw/zinc/97/34/25/584973425.db2.gz GMGRQCXRRLDBMM-ZETCQYMHSA-N -1 3 211.286 2.148 20 30 BEEDHM CC(N=Nc1cccnn1)c1ccc(F)cc1[O-] ZINC000735977081 584985880 /nfs/dbraw/zinc/98/58/80/584985880.db2.gz STQWBVCQFJTBKR-UHFFFAOYSA-N -1 3 246.245 2.157 20 30 BEEDHM C=CCN(Cc1cccc(C#N)c1)[C@H](C)C(=O)[O-] ZINC000736108595 584988668 /nfs/dbraw/zinc/98/86/68/584988668.db2.gz ISLVXEBTTGRENI-LLVKDONJSA-N -1 3 244.294 2.019 20 30 BEEDHM CN(CCCC#N)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737415978 585032022 /nfs/dbraw/zinc/03/20/22/585032022.db2.gz XJNYRKLAXOPNQA-GFCCVEGCSA-N -1 3 232.283 2.048 20 30 BEEDHM CC(C)[C@H]1C[C@H]1COC(=O)c1ccc(C#N)[n-]1 ZINC000774852662 585036648 /nfs/dbraw/zinc/03/66/48/585036648.db2.gz RXGNYQXIVSTIMZ-GXSJLCMTSA-N -1 3 232.283 2.335 20 30 BEEDHM C=CCON=C([O-])N1CCc2cc(C)ccc21 ZINC000838709062 585066130 /nfs/dbraw/zinc/06/61/30/585066130.db2.gz NQAQYHMLBYZALO-UHFFFAOYSA-N -1 3 232.283 2.185 20 30 BEEDHM C=CCO[N-]C(=O)N1CCc2cc(C)ccc21 ZINC000838709062 585066131 /nfs/dbraw/zinc/06/61/31/585066131.db2.gz NQAQYHMLBYZALO-UHFFFAOYSA-N -1 3 232.283 2.185 20 30 BEEDHM N#CC(=C([O-])C=CC1CC1)c1ccccn1 ZINC000744025396 585142154 /nfs/dbraw/zinc/14/21/54/585142154.db2.gz KSDWBMUVMOGGPW-ZADCQDASSA-N -1 3 212.252 2.224 20 30 BEEDHM CCOc1ccc(/C=N/Cc2ccon2)c([O-])c1 ZINC000747864201 585185213 /nfs/dbraw/zinc/18/52/13/585185213.db2.gz LGSSQNYHAKIPRN-RIYZIHGNSA-N -1 3 246.266 2.398 20 30 BEEDHM O=C(/C=C/c1cn[nH]c1)c1cccc([O-])c1 ZINC000751526197 585231764 /nfs/dbraw/zinc/23/17/64/585231764.db2.gz ZWUPXYMFMMVWLR-SNAWJCMRSA-N -1 3 214.224 2.011 20 30 BEEDHM C#C[C@@H](CC)NC(=O)c1cccc(CC)c1[O-] ZINC000754358277 585283150 /nfs/dbraw/zinc/28/31/50/585283150.db2.gz WJDHDGMKAXQJAI-NSHDSACASA-N -1 3 231.295 2.096 20 30 BEEDHM [O-]c1ccc(C=NOCc2ccccc2)nc1 ZINC000755633568 585302796 /nfs/dbraw/zinc/30/27/96/585302796.db2.gz VZTZPVTWOXSHHV-UHFFFAOYSA-N -1 3 228.251 2.338 20 30 BEEDHM [O-]c1ccc(F)cc1C=NOCC(F)(F)F ZINC000755794745 585307335 /nfs/dbraw/zinc/30/73/35/585307335.db2.gz DPIWNZFWJQKHAG-UHFFFAOYSA-N -1 3 237.152 2.444 20 30 BEEDHM CC(=NNC1CCCC1)c1ccc(O)cc1[O-] ZINC000757460775 585337698 /nfs/dbraw/zinc/33/76/98/585337698.db2.gz GCLLLVKXFDOBLG-UHFFFAOYSA-N -1 3 234.299 2.354 20 30 BEEDHM CCOc1ccc(CNC[C@@H](C)C#N)c([O-])c1 ZINC000757906082 585346653 /nfs/dbraw/zinc/34/66/53/585346653.db2.gz IESNPATUKZUXGU-JTQLQIEISA-N -1 3 234.299 2.040 20 30 BEEDHM Cc1cc(=O)[n-]c(N=NC(C)CC2CCC2)n1 ZINC000758354868 585354479 /nfs/dbraw/zinc/35/44/79/585354479.db2.gz OFHYCBKWRRMIDC-UHFFFAOYSA-N -1 3 234.303 2.469 20 30 BEEDHM CCO[C@@H]1COCC[C@H]1/N=C/c1ccccc1[O-] ZINC000758816432 585360260 /nfs/dbraw/zinc/36/02/60/585360260.db2.gz REOJLDYUYLGSDE-FOUVODNDSA-N -1 3 249.310 2.005 20 30 BEEDHM CC(=NNc1nccn1C)c1ccc([O-])c(F)c1 ZINC000790299634 585386312 /nfs/dbraw/zinc/38/63/12/585386312.db2.gz GRCJVTVSMYERDI-UHFFFAOYSA-N -1 3 248.261 2.101 20 30 BEEDHM C#CCCO[N-]C(=O)CCCc1ccccc1 ZINC000760349814 585390976 /nfs/dbraw/zinc/39/09/76/585390976.db2.gz FBPIMKUMYKFUNF-UHFFFAOYSA-N -1 3 231.295 2.080 20 30 BEEDHM C#CCCCC(=O)Nc1ccc([O-])cc1F ZINC000760496660 585392917 /nfs/dbraw/zinc/39/29/17/585392917.db2.gz OEJJXLDAQXTEAJ-UHFFFAOYSA-N -1 3 221.231 2.273 20 30 BEEDHM C=CCCC(=O)COC(=O)c1ccc([O-])cc1 ZINC000761362916 585414919 /nfs/dbraw/zinc/41/49/19/585414919.db2.gz WLSRVYDNRDBIDJ-UHFFFAOYSA-N -1 3 234.251 2.084 20 30 BEEDHM CC#CC/N=C\c1ccc(OCC)cc1[O-] ZINC000762435312 585431654 /nfs/dbraw/zinc/43/16/54/585431654.db2.gz DGONXVMENARKMI-UVTDQMKNSA-N -1 3 217.268 2.233 20 30 BEEDHM CC#CC[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000763173395 585443938 /nfs/dbraw/zinc/44/39/38/585443938.db2.gz GCJHXZVSGPMLCI-UHFFFAOYSA-N -1 3 241.212 2.057 20 30 BEEDHM [O-]c1ccc2c(c1)OCC2=NOCC(F)(F)F ZINC000764847227 585476058 /nfs/dbraw/zinc/47/60/58/585476058.db2.gz VLLNKRAZOWAOKS-UHFFFAOYSA-N -1 3 247.172 2.068 20 30 BEEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1cccnn1 ZINC000766283434 585500085 /nfs/dbraw/zinc/50/00/85/585500085.db2.gz KCZQJPNDIDMQKD-VGOFMYFVSA-N -1 3 247.685 2.455 20 30 BEEDHM C#CCCCSCc1nc(C)cc(=O)[n-]1 ZINC000766737998 585507350 /nfs/dbraw/zinc/50/73/50/585507350.db2.gz OTIAXVAYKAAUIP-UHFFFAOYSA-N -1 3 222.313 2.137 20 30 BEEDHM CCON=C(C)c1ccc(OC)cc1[O-] ZINC000767465218 585520751 /nfs/dbraw/zinc/52/07/51/585520751.db2.gz VOAWFJULYHVYAE-UHFFFAOYSA-N -1 3 209.245 2.161 20 30 BEEDHM C#C[C@H](CC)OC(=O)c1cc(-c2ccoc2)[n-]n1 ZINC000768061547 585531229 /nfs/dbraw/zinc/53/12/29/585531229.db2.gz XLGKPGNGGTUDKO-SNVBAGLBSA-N -1 3 244.250 2.238 20 30 BEEDHM CC(C)(CC#N)CNC(=O)c1cc([O-])cs1 ZINC000839800059 585534356 /nfs/dbraw/zinc/53/43/56/585534356.db2.gz PCWVPIPYTJKBMB-UHFFFAOYSA-N -1 3 238.312 2.123 20 30 BEEDHM CCN(CCC#N)Cc1c([O-])cccc1OC ZINC000768244056 585535010 /nfs/dbraw/zinc/53/50/10/585535010.db2.gz HFJYJGSGIHMFPP-UHFFFAOYSA-N -1 3 234.299 2.136 20 30 BEEDHM CC(=NNC[C@H](C)C#N)c1ccc(C)cc1[O-] ZINC000771107495 585590912 /nfs/dbraw/zinc/59/09/12/585590912.db2.gz NWFMYVKMXNBAIF-SNVBAGLBSA-N -1 3 231.299 2.174 20 30 BEEDHM CC(=NN[C@H](C)CC#N)c1cc(F)ccc1[O-] ZINC000771885026 585603447 /nfs/dbraw/zinc/60/34/47/585603447.db2.gz KJOAEJKUFCNHNF-MRVPVSSYSA-N -1 3 235.262 2.147 20 30 BEEDHM CCC[C@H](/N=C\c1ccccc1[O-])C(=O)OC ZINC000773154713 585632667 /nfs/dbraw/zinc/63/26/67/585632667.db2.gz ZIUVJNKQYBVLGT-HOXUKUGESA-N -1 3 235.283 2.153 20 30 BEEDHM C#C[C@H](C)/N=C\c1ccc(OCC)cc1[O-] ZINC000773904299 585646068 /nfs/dbraw/zinc/64/60/68/585646068.db2.gz FCHUPFPPSMAERB-ADVUTCEVSA-N -1 3 217.268 2.232 20 30 BEEDHM C#C[C@H](C)/N=C\c1cc(Cl)ccc1[O-] ZINC000773906641 585646206 /nfs/dbraw/zinc/64/62/06/585646206.db2.gz RRPDOIDGZUTBIL-AXSHELLZSA-N -1 3 207.660 2.486 20 30 BEEDHM Cn1[n-]ccc1=NN=C1CCCCCCC1 ZINC000774409968 585657607 /nfs/dbraw/zinc/65/76/07/585657607.db2.gz JONQLADETBNFQT-UHFFFAOYSA-N -1 3 220.320 2.354 20 30 BEEDHM C[C@H]1CCCC(=NN=c2cc[n-]n2C)[C@H]1C ZINC000774412899 585657710 /nfs/dbraw/zinc/65/77/10/585657710.db2.gz IGYJPOWMXCWZSF-UWVGGRQHSA-N -1 3 220.320 2.066 20 30 BEEDHM C[C@H]1CCCC[C@@H]1C=NN=c1cc[n-]n1C ZINC000774410374 585657815 /nfs/dbraw/zinc/65/78/15/585657815.db2.gz JJKGBXJCLNZSGC-WDEREUQCSA-N -1 3 220.320 2.066 20 30 BEEDHM CC(=NN=c1cc[n-]n1C)c1ccc(C)c(C)c1 ZINC000774413215 585657871 /nfs/dbraw/zinc/65/78/71/585657871.db2.gz XNMHLYJXNCDBTF-UHFFFAOYSA-N -1 3 242.326 2.295 20 30 BEEDHM C[C@H]1C(=NN=c2cc[n-]n2C)CCC[C@@H]1C ZINC000774412903 585657892 /nfs/dbraw/zinc/65/78/92/585657892.db2.gz IGYJPOWMXCWZSF-VHSXEESVSA-N -1 3 220.320 2.066 20 30 BEEDHM Cn1[n-]ccc1=NN=CC1CCC(C)(C)CC1 ZINC000774411128 585657896 /nfs/dbraw/zinc/65/78/96/585657896.db2.gz BASXBMIFIJVFCY-UHFFFAOYSA-N -1 3 234.347 2.456 20 30 BEEDHM CCOCCON=Cc1cc(Cl)ccc1[O-] ZINC000774436690 585658950 /nfs/dbraw/zinc/65/89/50/585658950.db2.gz UNOPUIBWRIJTPW-UHFFFAOYSA-N -1 3 243.690 2.433 20 30 BEEDHM CCC(CC)CNN=Cc1nc(C)ccc1[O-] ZINC000774462747 585659711 /nfs/dbraw/zinc/65/97/11/585659711.db2.gz NWDUYAIRJQAFGN-UHFFFAOYSA-N -1 3 235.331 2.455 20 30 BEEDHM C=CCCCCCOC(=O)c1n[n-]nc1C ZINC000805545166 585678346 /nfs/dbraw/zinc/67/83/46/585678346.db2.gz HAQXNILRWKRDNI-UHFFFAOYSA-N -1 3 223.276 2.016 20 30 BEEDHM CC[C@H]1C[C@H](OC(=O)c2ccc(C#N)[n-]2)CCO1 ZINC000779291640 585750304 /nfs/dbraw/zinc/75/03/04/585750304.db2.gz JFBAQYHSSADFMA-WDEREUQCSA-N -1 3 248.282 2.001 20 30 BEEDHM COc1cccc([O-])c1/C=N\CC1(OC)CCC1 ZINC000779706512 585759252 /nfs/dbraw/zinc/75/92/52/585759252.db2.gz GIIKPNKCTGRAEA-DHDCSXOGSA-N -1 3 249.310 2.389 20 30 BEEDHM CC(=NN[C@@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000780256793 585775346 /nfs/dbraw/zinc/77/53/46/585775346.db2.gz CLLPBIBTSLHJNP-GFCCVEGCSA-N -1 3 248.326 2.193 20 30 BEEDHM C#CCCCCCC(=O)Nc1ncccc1[O-] ZINC000780324897 585777718 /nfs/dbraw/zinc/77/77/18/585777718.db2.gz AYBYAQWZFANQQU-UHFFFAOYSA-N -1 3 232.283 2.309 20 30 BEEDHM O=C1c2cccc([O-])c2C/C1=C/c1cncnc1 ZINC000781107066 585790334 /nfs/dbraw/zinc/79/03/34/585790334.db2.gz PBCNVRTWCLKXHF-WMZJFQQLSA-N -1 3 238.246 2.005 20 30 BEEDHM O=C(N[O-])[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000782169236 585808689 /nfs/dbraw/zinc/80/86/89/585808689.db2.gz HUOHQYSHEYMMFF-QWHCGFSZSA-N -1 3 227.263 2.449 20 30 BEEDHM C[C@@H](CC(=O)N[O-])Cc1ccc(Cl)cc1 ZINC000782169392 585808693 /nfs/dbraw/zinc/80/86/93/585808693.db2.gz LKUAOYVGWPFLHQ-MRVPVSSYSA-N -1 3 227.691 2.414 20 30 BEEDHM CC(C)[C@@H](Cc1ccccc1)C(=O)N[O-] ZINC000782170534 585808911 /nfs/dbraw/zinc/80/89/11/585808911.db2.gz AIMAWJRNORCFNC-LLVKDONJSA-N -1 3 207.273 2.007 20 30 BEEDHM C=CCC[C@H](C(=O)N[O-])c1ccccc1 ZINC000782171879 585809001 /nfs/dbraw/zinc/80/90/01/585809001.db2.gz PPZNBQOKCJNPIY-NSHDSACASA-N -1 3 205.257 2.242 20 30 BEEDHM CC(C)(C)O[C@H](C(=O)N[O-])c1ccccc1 ZINC000782178274 585809877 /nfs/dbraw/zinc/80/98/77/585809877.db2.gz KOXFWBCMGWTCBM-JTQLQIEISA-N -1 3 223.272 2.048 20 30 BEEDHM CC(C)(C(=O)N[O-])c1cccc(Cl)c1F ZINC000782178139 585809973 /nfs/dbraw/zinc/80/99/73/585809973.db2.gz BPVXYSVYICAXBN-UHFFFAOYSA-N -1 3 231.654 2.262 20 30 BEEDHM CC(C)(C)O[C@@H](C(=O)N[O-])c1ccccc1 ZINC000782178302 585809994 /nfs/dbraw/zinc/80/99/94/585809994.db2.gz KOXFWBCMGWTCBM-SNVBAGLBSA-N -1 3 223.272 2.048 20 30 BEEDHM COc1cccc([O-])c1/C=N\CC[C@H]1CCOC1 ZINC000783685994 585840197 /nfs/dbraw/zinc/84/01/97/585840197.db2.gz UBPPFSGZRVOUBT-GPILYODUSA-N -1 3 249.310 2.246 20 30 BEEDHM C=C[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000787682814 585913944 /nfs/dbraw/zinc/91/39/44/585913944.db2.gz ZTJUNRHBHOAWHZ-JTQLQIEISA-N -1 3 247.294 2.279 20 30 BEEDHM CC[C@@H](C)NN=C1C(=O)[N-]c2c1c(C)ccc2F ZINC000790189688 585960543 /nfs/dbraw/zinc/96/05/43/585960543.db2.gz LTSVXQMDRWDMFL-MRVPVSSYSA-N -1 3 249.289 2.178 20 30 BEEDHM CC(=NNc1nccn1C)c1ccc(F)cc1[O-] ZINC000790303335 585963205 /nfs/dbraw/zinc/96/32/05/585963205.db2.gz SBAUMKZYGZCEDZ-UHFFFAOYSA-N -1 3 248.261 2.101 20 30 BEEDHM Cc1cc(C/N=C/c2ccccc2[O-])n(C)n1 ZINC000790573823 585966250 /nfs/dbraw/zinc/96/62/50/585966250.db2.gz IDTIEUUQYIAHSU-RIYZIHGNSA-N -1 3 229.283 2.053 20 30 BEEDHM COc1cccc([O-])c1/C=N/CCC1(O)CCC1 ZINC000790575630 585966409 /nfs/dbraw/zinc/96/64/09/585966409.db2.gz UKNZLJRBZLGJSG-XNTDXEJSSA-N -1 3 249.310 2.125 20 30 BEEDHM C#CCN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000790967271 585971177 /nfs/dbraw/zinc/97/11/77/585971177.db2.gz OUMOSLDKXNRFTM-UHFFFAOYSA-N -1 3 231.295 2.221 20 30 BEEDHM C=CCCCNC(=O)c1cc([O-])cs1 ZINC000791055896 585973655 /nfs/dbraw/zinc/97/36/55/585973655.db2.gz BTZWJHZEPCSQEJ-UHFFFAOYSA-N -1 3 211.286 2.150 20 30 BEEDHM C[C@@H](NN=Cc1ccc([O-])cn1)C(C)(C)C ZINC000793114357 586010773 /nfs/dbraw/zinc/01/07/73/586010773.db2.gz GHHFDEYKOGSMCR-SECBINFHSA-N -1 3 221.304 2.145 20 30 BEEDHM CC[C@H](C)CON=Cc1ccc(O)c([O-])c1O ZINC000793158197 586011966 /nfs/dbraw/zinc/01/19/66/586011966.db2.gz DQIGKNNHAGZTSW-QMMMGPOBSA-N -1 3 239.271 2.200 20 30 BEEDHM Cc1nnsc1C/N=C/c1ccccc1[O-] ZINC000793668951 586024529 /nfs/dbraw/zinc/02/45/29/586024529.db2.gz ONBJUMZADWOBLZ-WUXMJOGZSA-N -1 3 233.296 2.171 20 30 BEEDHM Cc1cnn(C)c1/C=C/C(=O)c1cccc([O-])c1 ZINC000794694215 586047229 /nfs/dbraw/zinc/04/72/29/586047229.db2.gz AGRFOTBGWZUIRK-VOTSOKGWSA-N -1 3 242.278 2.330 20 30 BEEDHM C=CCNN=C(C)c1ccc([O-])cc1F ZINC000794999574 586063883 /nfs/dbraw/zinc/06/38/83/586063883.db2.gz KUSGGGTYMWIUFG-UHFFFAOYSA-N -1 3 208.236 2.031 20 30 BEEDHM [O-]c1c(O)ccc(/C=N\[C@@H]2C[C@H]2C2CC2)c1O ZINC000797399694 586126347 /nfs/dbraw/zinc/12/63/47/586126347.db2.gz YYVNGSMVGAHWER-DNFTXHEBSA-N -1 3 233.267 2.021 20 30 BEEDHM C#Cc1cncc(C(=O)Nc2ccccc2[O-])c1 ZINC000798154737 586138355 /nfs/dbraw/zinc/13/83/55/586138355.db2.gz QRZXYHFHTRPHOC-UHFFFAOYSA-N -1 3 238.246 2.021 20 30 BEEDHM C[C@H](C(=O)N[O-])c1ccc(C(F)(F)F)cc1 ZINC000799098680 586156575 /nfs/dbraw/zinc/15/65/75/586156575.db2.gz UZRSIPPAICWJIR-LURJTMIESA-N -1 3 233.189 2.314 20 30 BEEDHM N#CC(=C([O-])C=Cc1ccc[nH]1)c1ccccn1 ZINC000802040138 586286639 /nfs/dbraw/zinc/28/66/39/586286639.db2.gz HXYBFFSDLVAXFZ-DGMVEKRQSA-N -1 3 237.262 2.299 20 30 BEEDHM [O-]c1ccccc1/C=N\[C@H]1C[C@@H]1C(F)F ZINC000804597815 586399309 /nfs/dbraw/zinc/39/93/09/586399309.db2.gz GDDIZUOBQRXCQQ-WBGUWYQHSA-N -1 3 211.211 2.465 20 30 BEEDHM C[C@H]([N-]C(=O)C(C)(F)F)c1cccc(C#N)c1 ZINC000808464071 586473872 /nfs/dbraw/zinc/47/38/72/586473872.db2.gz JYCLOIRSWYJMHM-QMMMGPOBSA-N -1 3 238.237 2.391 20 30 BEEDHM COC1(CCOC(=O)c2ccc(C#N)[n-]2)CCC1 ZINC000809046679 586494210 /nfs/dbraw/zinc/49/42/10/586494210.db2.gz CGVVAHJRKUIXEY-UHFFFAOYSA-N -1 3 248.282 2.002 20 30 BEEDHM C=C[C@H](C)OC(=O)c1c[n-]nc1-c1ccccn1 ZINC000810701922 586545043 /nfs/dbraw/zinc/54/50/43/586545043.db2.gz VQVYTVRFKVBFBC-VIFPVBQESA-N -1 3 243.266 2.203 20 30 BEEDHM C=CCCCCOC(=O)c1ccc(C#N)[n-]1 ZINC000811009054 586552458 /nfs/dbraw/zinc/55/24/58/586552458.db2.gz PPBMBFDOOREYRB-UHFFFAOYSA-N -1 3 218.256 2.399 20 30 BEEDHM C=C(C)CNN=Cc1ccc([O-])c(F)c1 ZINC000811652075 586563440 /nfs/dbraw/zinc/56/34/40/586563440.db2.gz ZJPWKLASOUQTNL-UHFFFAOYSA-N -1 3 208.236 2.031 20 30 BEEDHM N#Cc1c(F)cccc1C=Cc1nccc(=O)[n-]1 ZINC000811690786 586565774 /nfs/dbraw/zinc/56/57/74/586565774.db2.gz FJRCGSAESNTCHV-PLNGDYQASA-N -1 3 241.225 2.363 20 30 BEEDHM C#CCON=Cc1cc(Cl)cc(OC)c1[O-] ZINC000812233628 586571316 /nfs/dbraw/zinc/57/13/16/586571316.db2.gz YANWUDKSHSUODV-UHFFFAOYSA-N -1 3 239.658 2.038 20 30 BEEDHM CC[C@@H](C)CON=Cc1cc(CO)ccc1[O-] ZINC000814939323 586655523 /nfs/dbraw/zinc/65/55/23/586655523.db2.gz MYZZEXWNUONLAZ-SNVBAGLBSA-N -1 3 237.299 2.281 20 30 BEEDHM N#CC1(CC(=O)[N-]OCc2ccc(F)cc2)CC1 ZINC000816099464 586708249 /nfs/dbraw/zinc/70/82/49/586708249.db2.gz SVLIHPFRFLSNBT-UHFFFAOYSA-N -1 3 248.257 2.067 20 30 BEEDHM C=CCOCCCC(=O)[N-]OC[C@H](C)CC ZINC000816976892 586776884 /nfs/dbraw/zinc/77/68/84/586776884.db2.gz MDQUMTDWNCIKNK-LLVKDONJSA-N -1 3 229.320 2.063 20 30 BEEDHM C=C[C@@H](CC)CC(=O)[N-]OCc1ccccn1 ZINC000822242869 587159498 /nfs/dbraw/zinc/15/94/98/587159498.db2.gz AWXWNLMYGSORBO-NSHDSACASA-N -1 3 234.299 2.232 20 30 BEEDHM CCc1n[n-]c(Cl)c1C(=O)OCCCC#N ZINC000860221820 589090233 /nfs/dbraw/zinc/09/02/33/589090233.db2.gz YIOONKKGNQVHPF-UHFFFAOYSA-N -1 3 241.678 2.086 20 30 BEEDHM CCc1[n-]nc(Cl)c1C(=O)OCCCC#N ZINC000860221820 589090234 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/nfs/dbraw/zinc/33/35/38/587333538.db2.gz DUGOCMAWYXBCIP-DGCLKSJQSA-N -1 3 231.295 2.061 20 30 BEEDHM CC#CCN1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000825711011 587333658 /nfs/dbraw/zinc/33/36/58/587333658.db2.gz LHYNSHBAHJQOAZ-KBPBESRZSA-N -1 3 249.354 2.365 20 30 BEEDHM CC#CCN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000825711014 587333755 /nfs/dbraw/zinc/33/37/55/587333755.db2.gz LHYNSHBAHJQOAZ-ZIAGYGMSSA-N -1 3 249.354 2.365 20 30 BEEDHM C[C@H](C(=O)[O-])[C@H](NCCCC#N)c1ccccc1 ZINC000826052935 587349940 /nfs/dbraw/zinc/34/99/40/587349940.db2.gz HGYXYUYILSTRQD-AAEUAGOBSA-N -1 3 246.310 2.342 20 30 BEEDHM CCCO[N-]C(=O)Nc1cccc(C#N)c1 ZINC000828222011 587425126 /nfs/dbraw/zinc/42/51/26/587425126.db2.gz ICFIAVATJYMZIL-UHFFFAOYSA-N -1 3 219.244 2.021 20 30 BEEDHM C#Cc1cccc(NC(=O)[N-]OCCC)c1 ZINC000828235588 587426957 /nfs/dbraw/zinc/42/69/57/587426957.db2.gz PPJNFICGVHAPIW-UHFFFAOYSA-N -1 3 218.256 2.131 20 30 BEEDHM CC[C@H](C)CON=C([O-])Nc1cccc(C#N)n1 ZINC000831875876 587635274 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KURAOAXVAJYLRO-UHFFFAOYSA-N -1 3 239.300 2.260 20 30 BEEDHM C=CCO[N-]C(=O)Nc1nc(C2CC2)cs1 ZINC000836233516 587829187 /nfs/dbraw/zinc/82/91/87/587829187.db2.gz KURAOAXVAJYLRO-UHFFFAOYSA-N -1 3 239.300 2.260 20 30 BEEDHM C=CCON=C([O-])Nc1cccc(COC)c1 ZINC000836262906 587829846 /nfs/dbraw/zinc/82/98/46/587829846.db2.gz KEAGZZMASXDKTR-UHFFFAOYSA-N -1 3 236.271 2.072 20 30 BEEDHM C=CCO[N-]C(=O)Nc1cccc(COC)c1 ZINC000836262906 587829847 /nfs/dbraw/zinc/82/98/47/587829847.db2.gz KEAGZZMASXDKTR-UHFFFAOYSA-N -1 3 236.271 2.072 20 30 BEEDHM N#Cc1cc(F)ccc1NC([O-])=NOC1CCC1 ZINC000836454024 587833468 /nfs/dbraw/zinc/83/34/68/587833468.db2.gz UYJPDIZHUTYECW-UHFFFAOYSA-N -1 3 249.245 2.303 20 30 BEEDHM N#Cc1cc(F)ccc1NC(=O)[N-]OC1CCC1 ZINC000836454024 587833469 /nfs/dbraw/zinc/83/34/69/587833469.db2.gz UYJPDIZHUTYECW-UHFFFAOYSA-N -1 3 249.245 2.303 20 30 BEEDHM CC(C)CO[N-]C(=O)Nc1cccc(CC#N)c1 ZINC000836764184 587836614 /nfs/dbraw/zinc/83/66/14/587836614.db2.gz YYRVYELAGCCSLA-UHFFFAOYSA-N -1 3 247.298 2.462 20 30 BEEDHM N#Cc1ccccc1/C=C\C(=O)[N-]OC1CCC1 ZINC000836798459 587837165 /nfs/dbraw/zinc/83/71/65/587837165.db2.gz QBVGGJDTXCIRTO-HJWRWDBZSA-N -1 3 242.278 2.172 20 30 BEEDHM C=CC(C)(C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000836828464 587839220 /nfs/dbraw/zinc/83/92/20/587839220.db2.gz KVGVBSCQDPZWGK-UHFFFAOYSA-N -1 3 249.310 2.348 20 30 BEEDHM C=CCO[N-]C(=O)CCOc1ccc(C)cc1C ZINC000837043092 587848831 /nfs/dbraw/zinc/84/88/31/587848831.db2.gz KTGQAQXWAYQEJR-UHFFFAOYSA-N -1 3 249.310 2.306 20 30 BEEDHM C=CCO[N-]C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000837042626 587848988 /nfs/dbraw/zinc/84/89/88/587848988.db2.gz AQMDQVLKRVLOAF-UHFFFAOYSA-N -1 3 235.327 2.437 20 30 BEEDHM C=CCO[N-]C(=O)C1=CCC(C)(C)CC1 ZINC000837043483 587849613 /nfs/dbraw/zinc/84/96/13/587849613.db2.gz LPJIZJNHRULJGD-UHFFFAOYSA-N -1 3 209.289 2.357 20 30 BEEDHM C=CCO[N-]C(=O)CCCOc1ccccc1 ZINC000837045164 587849732 /nfs/dbraw/zinc/84/97/32/587849732.db2.gz YUXAJXVDWLIDOU-UHFFFAOYSA-N -1 3 235.283 2.079 20 30 BEEDHM C=CCO[N-]C(=O)CCc1ccc(OCC)cc1 ZINC000837045316 587850021 /nfs/dbraw/zinc/85/00/21/587850021.db2.gz ZPYLUTVMSQFFEH-UHFFFAOYSA-N -1 3 249.310 2.252 20 30 BEEDHM C=CCO[N-]C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC000837047205 587850270 /nfs/dbraw/zinc/85/02/70/587850270.db2.gz BLDVXKOBTDQYQT-NSHDSACASA-N -1 3 249.310 2.423 20 30 BEEDHM C=CCO[N-]C(=O)CCCc1ccsc1 ZINC000837047950 587850872 /nfs/dbraw/zinc/85/08/72/587850872.db2.gz IAQKDICTXBXJGV-UHFFFAOYSA-N -1 3 225.313 2.305 20 30 BEEDHM COc1cccc([O-])c1/C=N/CC1=CCOCC1 ZINC000840707760 587917077 /nfs/dbraw/zinc/91/70/77/587917077.db2.gz RYRYXKURCXWBNZ-XNTDXEJSSA-N -1 3 247.294 2.166 20 30 BEEDHM COc1cccc([O-])c1/C=N/C[C@H](OC)C1CC1 ZINC000840704453 587917174 /nfs/dbraw/zinc/91/71/74/587917174.db2.gz ATGKEBRRKPUOTO-GFKDLEGOSA-N -1 3 249.310 2.245 20 30 BEEDHM CCC1(C/N=C/c2c([O-])cccc2OC)COC1 ZINC000840710213 587917429 /nfs/dbraw/zinc/91/74/29/587917429.db2.gz QMEHZVAQLQHDLA-VIZOYTHASA-N -1 3 249.310 2.246 20 30 BEEDHM [O-]c1ccccc1/C=N\[C@H]1CC12CCOCC2 ZINC000840709891 587917653 /nfs/dbraw/zinc/91/76/53/587917653.db2.gz OMMVEJOMYNFLIC-OJNRTJSBSA-N -1 3 231.295 2.380 20 30 BEEDHM COC(=O)[C@@H](CC1CC1)/N=C/c1ccccc1[O-] ZINC000840711719 587917700 /nfs/dbraw/zinc/91/77/00/587917700.db2.gz RZESBAOACBTHHD-KMHUVPDISA-N -1 3 247.294 2.153 20 30 BEEDHM C#C[C@@H](C)NCc1c([O-])cc(C)cc1Cl ZINC000840944901 587931197 /nfs/dbraw/zinc/93/11/97/587931197.db2.gz KCJXTSYNMIERED-SECBINFHSA-N -1 3 223.703 2.465 20 30 BEEDHM Cc1cc([O-])c(C=NNC2CC2)c(Cl)c1 ZINC000841632172 587962634 /nfs/dbraw/zinc/96/26/34/587962634.db2.gz MZTFTOVIFGFBKB-UHFFFAOYSA-N -1 3 224.691 2.440 20 30 BEEDHM N#CC(=C([O-])C=CC1CCCC1)c1ccncn1 ZINC000842759015 588060169 /nfs/dbraw/zinc/06/01/69/588060169.db2.gz QHPWJPPWHQOQOC-FOQNGQEVSA-N -1 3 241.294 2.399 20 30 BEEDHM C#CC[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000844003816 588154856 /nfs/dbraw/zinc/15/48/56/588154856.db2.gz SWMSVMUMWAVKPX-LBPRGKRZSA-N -1 3 243.306 2.268 20 30 BEEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H](CO)CCF ZINC000844270947 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C#CC1(Nc2cc(Cl)n[n-]c2=O)CCCC1 ZINC000882972484 591488659 /nfs/dbraw/zinc/48/86/59/591488659.db2.gz NQPRYOFTANWVCL-UHFFFAOYSA-N -1 3 237.690 2.194 20 30 BEEDHM CC[C@@H](C)CON=C([O-])Nc1ccc(C#N)cn1 ZINC000889237293 592591125 /nfs/dbraw/zinc/59/11/25/592591125.db2.gz OZCZYHBWFZHVLS-SECBINFHSA-N -1 3 248.286 2.052 20 30 BEEDHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(C#N)cn1 ZINC000889237293 592591129 /nfs/dbraw/zinc/59/11/29/592591129.db2.gz OZCZYHBWFZHVLS-SECBINFHSA-N -1 3 248.286 2.052 20 30 BEEDHM N#CC1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000094657337 597345339 /nfs/dbraw/zinc/34/53/39/597345339.db2.gz KVZBVBVJZAPKKH-UHFFFAOYSA-N -1 3 244.294 2.120 20 30 BEEDHM C#CCCCC(=O)Nc1cccc([O-])c1F ZINC000192196091 634226144 /nfs/dbraw/zinc/22/61/44/634226144.db2.gz IEUPPCVIRISAPO-UHFFFAOYSA-N -1 3 221.231 2.273 20 30 BEEDHM C#CCCCCC(=O)NCc1c([O-])cccc1F ZINC000928709204 636342054 /nfs/dbraw/zinc/34/20/54/636342054.db2.gz YLPAQYQMPOCGMO-UHFFFAOYSA-N -1 3 249.285 2.341 20 30 BEEDHM CCCCN([O-])C(=O)C[C@H]1CC(C)(C)CO1 ZINC000904215879 637391168 /nfs/dbraw/zinc/39/11/68/637391168.db2.gz OOOOWCQFBQKHIY-JTQLQIEISA-N -1 3 229.320 2.210 20 30 BEEDHM Cc1ccc(C(=O)/C=C/C(=O)[N-]OC(C)C)cc1 ZINC000908568935 639019557 /nfs/dbraw/zinc/01/95/57/639019557.db2.gz CRUUXOCLLGXZCN-CMDGGOBGSA-N -1 3 247.294 2.190 20 30 BEEDHM C=C(C)CO[N-]C(=O)C1(C2CC2)CCC1 ZINC000911901249 639863977 /nfs/dbraw/zinc/86/39/77/639863977.db2.gz FDMGAWJGYCQCPK-UHFFFAOYSA-N -1 3 209.289 2.191 20 30 BEEDHM C=C[C@@H](C)O[N-]C(=O)C1(C2CC2)CCC1 ZINC000911903217 639885728 /nfs/dbraw/zinc/88/57/28/639885728.db2.gz QLFFDMHSONWGIW-SECBINFHSA-N -1 3 209.289 2.189 20 30 BEEDHM C#C[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000174449436 641287190 /nfs/dbraw/zinc/28/71/90/641287190.db2.gz HURJJNOGSCSGCP-QMMMGPOBSA-N -1 3 244.250 2.157 20 30 BEEDHM C#C[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000174449436 641287200 /nfs/dbraw/zinc/28/72/00/641287200.db2.gz HURJJNOGSCSGCP-QMMMGPOBSA-N -1 3 244.250 2.157 20 30 BEEDHM C=C[C@H](CC)CC(=O)Nc1ncccc1[O-] ZINC000935335901 641389649 /nfs/dbraw/zinc/38/96/49/641389649.db2.gz HYVNKXNQQQOYCL-SECBINFHSA-N -1 3 220.272 2.328 20 30 BEEDHM C=C[C@H](CC)CC(=O)[N-]OC/C=C\Cl ZINC000936061296 641526466 /nfs/dbraw/zinc/52/64/66/641526466.db2.gz XSFGUIDDSMHLTP-SSJHQANKSA-N -1 3 217.696 2.389 20 30 BEEDHM C[C@@H](C#N)OC(=O)c1cc2ccsc2[n-]1 ZINC000914891774 641779358 /nfs/dbraw/zinc/77/93/58/641779358.db2.gz SVWHHPVTTYXVKZ-LURJTMIESA-N -1 3 220.253 2.298 20 30 BEEDHM C=CCn1c(S[C@H](C)C2CC2)n[n-]c1=O ZINC000917218007 642029961 /nfs/dbraw/zinc/02/99/61/642029961.db2.gz PNSFDWLLRJHUIT-SSDOTTSWSA-N -1 3 225.317 2.060 20 30 BEEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CC[C@@H](C)C2)c1[O-] ZINC000780149974 644725010 /nfs/dbraw/zinc/72/50/10/644725010.db2.gz RKGUVEHLPYDARM-TWWYBXSTSA-N -1 3 248.326 2.195 20 30 BEEDHM C#CCON=C1C[C@@H](C)c2c1c([O-])ccc2F ZINC000812234279 644922341 /nfs/dbraw/zinc/92/23/41/644922341.db2.gz WCVNMHROEPGVRR-MRVPVSSYSA-N -1 3 233.242 2.392 20 30 BEEDHM