smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(=O)[n-]c(C=Cc2cc(C#N)cs2)n1 ZINC000352025012 178201836 /nfs/dbraw/zinc/20/18/36/178201836.db2.gz BQNIDDJNBVNFNJ-NSCUHMNNSA-N -1 3 243.291 2.594 20 30 BFEDHM C=C(C)CCOc1ccc2c([O-])coc2c1C ZINC000634560392 362048602 /nfs/dbraw/zinc/04/86/02/362048602.db2.gz GWYKCLTUZRXCNG-UHFFFAOYSA-N -1 3 232.279 2.915 20 30 BFEDHM Cc1ccc([O-])c(NC(=O)CCCCCC#N)n1 ZINC000588675038 344172092 /nfs/dbraw/zinc/17/20/92/344172092.db2.gz UVYGFLUXLNYREY-UHFFFAOYSA-N -1 3 247.298 2.508 20 30 BFEDHM C[C@H](/N=C/c1ccccc1[O-])C1CCOCC1 ZINC000122894284 344978865 /nfs/dbraw/zinc/97/88/65/344978865.db2.gz CSRRQDCELNGQPB-KBVGCWLLSA-N -1 3 233.311 2.626 20 30 BFEDHM CC(C)(C)CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596075945 348438981 /nfs/dbraw/zinc/43/89/81/348438981.db2.gz KQEKLLQIPOVVDS-UHFFFAOYSA-N -1 3 243.763 2.938 20 30 BFEDHM C[C@H](CN=c1[n-]c(C#N)c(Cl)s1)C1CC1 ZINC000596086691 348442926 /nfs/dbraw/zinc/44/29/26/348442926.db2.gz BMOHAAKQVLWQCT-ZCFIWIBFSA-N -1 3 241.747 2.548 20 30 BFEDHM [O-]c1ccccc1/C=N/CC1CC(F)(F)C1 ZINC000291851145 352291508 /nfs/dbraw/zinc/29/15/08/352291508.db2.gz HTOSYQTZBAQYTG-OVCLIPMQSA-N -1 3 225.238 2.856 20 30 BFEDHM C=C[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000334250574 352825259 /nfs/dbraw/zinc/82/52/59/352825259.db2.gz USBYPZNAXQFPMF-LLVKDONJSA-N -1 3 231.295 2.573 20 30 BFEDHM C=CCCN(C)C(=O)c1cc([O-])ccc1Cl ZINC000290629652 353665464 /nfs/dbraw/zinc/66/54/64/353665464.db2.gz CTYSDJAMKWVNLH-UHFFFAOYSA-N -1 3 239.702 2.694 20 30 BFEDHM CC#CCCCC(=O)Nc1c(C)cccc1[O-] ZINC000185008654 353739947 /nfs/dbraw/zinc/73/99/47/353739947.db2.gz SXHOAIIACLTFST-UHFFFAOYSA-N -1 3 231.295 2.833 20 30 BFEDHM C=C1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000295418232 353805664 /nfs/dbraw/zinc/80/56/64/353805664.db2.gz SCNGFKCDADHFDE-UHFFFAOYSA-N -1 3 239.265 2.822 20 30 BFEDHM O=C(NCCC1=CCCC1)c1csc(=O)[n-]1 ZINC000329988781 133992769 /nfs/dbraw/zinc/99/27/69/133992769.db2.gz UQWQYUKWOMNQSN-UHFFFAOYSA-N -1 3 238.312 2.654 20 30 BFEDHM N#Cc1ccc(C(=O)[N-]c2cccc(F)c2F)o1 ZINC000336378249 181101559 /nfs/dbraw/zinc/10/15/59/181101559.db2.gz GRIGSPSSDSSTSL-UHFFFAOYSA-N -1 3 248.188 2.682 20 30 BFEDHM CC1(NC(=O)c2csc(=O)[n-]2)CCCCC1 ZINC000329930510 355691727 /nfs/dbraw/zinc/69/17/27/355691727.db2.gz ZRVHSSZIHCRHGX-UHFFFAOYSA-N -1 3 240.328 2.876 20 30 BFEDHM Cc1ccsc1C([O-])=C(C#N)c1ccccn1 ZINC000046439258 358576978 /nfs/dbraw/zinc/57/69/78/358576978.db2.gz BUBDVERRPMAFLY-JTQLQIEISA-N -1 3 242.303 2.942 20 30 BFEDHM C=C[C@@H](C)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436583620 201330598 /nfs/dbraw/zinc/33/05/98/201330598.db2.gz KMHVOUJVUHSUSP-SNVBAGLBSA-N -1 3 245.322 2.575 20 30 BFEDHM CC#CCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436980056 201342324 /nfs/dbraw/zinc/34/23/24/201342324.db2.gz MDLLYJCUKWBYPS-UHFFFAOYSA-N -1 3 245.322 2.659 20 30 BFEDHM C=C[C@H](C)NCc1cccc([O-])c1Cl ZINC000328258526 363867073 /nfs/dbraw/zinc/86/70/73/363867073.db2.gz USPIMKIRXRABPB-QMMMGPOBSA-N -1 3 211.692 2.710 20 30 BFEDHM N#CC1(C(=O)Nc2ccc([O-])cc2F)CCCC1 ZINC000183277526 367009738 /nfs/dbraw/zinc/00/97/38/367009738.db2.gz NBPICHYVFNFAET-UHFFFAOYSA-N -1 3 248.257 2.554 20 30 BFEDHM C=C(C)CN(CC)Cc1ccsc1C(=O)[O-] ZINC000382476858 367529756 /nfs/dbraw/zinc/52/97/56/367529756.db2.gz JMKROLSZTWEXAN-UHFFFAOYSA-N -1 3 239.340 2.844 20 30 BFEDHM C=C(C)CN(CC)Cc1csc(C(=O)[O-])c1 ZINC000566359297 326036923 /nfs/dbraw/zinc/03/69/23/326036923.db2.gz GRRJWUODTBWZPC-UHFFFAOYSA-N -1 3 239.340 2.844 20 30 BFEDHM C=CCCC(C)(C)NC(=O)c1cccc([O-])c1 ZINC000620864439 370014498 /nfs/dbraw/zinc/01/44/98/370014498.db2.gz DKPZVYASGQWQHR-UHFFFAOYSA-N -1 3 233.311 2.867 20 30 BFEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1CCCO1 ZINC000000585090 183273907 /nfs/dbraw/zinc/27/39/07/183273907.db2.gz FWMLAAKAAHPOHG-DKTFCQPKSA-N -1 3 239.702 2.644 20 30 BFEDHM C=C(C)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117116614 384143592 /nfs/dbraw/zinc/14/35/92/384143592.db2.gz FKFBPMKVYREGBW-UHFFFAOYSA-N -1 3 232.312 2.535 20 30 BFEDHM C#C[C@H](/N=C\c1ccc(OCC)cc1[O-])C(C)C ZINC000490914795 384483288 /nfs/dbraw/zinc/48/32/88/384483288.db2.gz JLLAXJHZUPVOHF-FBKCMUNRSA-N -1 3 245.322 2.868 20 30 BFEDHM C=CCCC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000179795599 385380825 /nfs/dbraw/zinc/38/08/25/385380825.db2.gz WELCZRZYRQWKKJ-LLVKDONJSA-N -1 3 233.311 2.867 20 30 BFEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000049341019 386612879 /nfs/dbraw/zinc/61/28/79/386612879.db2.gz SBLZMTGZDBUJLU-LLVKDONJSA-N -1 3 249.310 2.620 20 30 BFEDHM CCc1noc(C)c1[N-]C(=O)c1c(C)noc1C ZINC000330469440 386725668 /nfs/dbraw/zinc/72/56/68/386725668.db2.gz ZJHJLQBWGGTUGW-UHFFFAOYSA-N -1 3 249.270 2.787 20 30 BFEDHM C=C(C)CN(CC)C(=O)c1ccc(C)cc1[O-] ZINC000019839069 386785274 /nfs/dbraw/zinc/78/52/74/386785274.db2.gz LCCUTHOUSZYIFP-UHFFFAOYSA-N -1 3 233.311 2.739 20 30 BFEDHM C=CCn1c(SCCCC(C)C)n[n-]c1=O ZINC000428077964 386886499 /nfs/dbraw/zinc/88/64/99/386886499.db2.gz QDDCRVXGFAGNSS-UHFFFAOYSA-N -1 3 241.360 2.698 20 30 BFEDHM CCN(Cc1cc([O-])cc(F)c1)C[C@H](C)C#N ZINC000186190992 387074259 /nfs/dbraw/zinc/07/42/59/387074259.db2.gz JLKICKOZCJMULC-SNVBAGLBSA-N -1 3 236.290 2.513 20 30 BFEDHM C=C(C)CN(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000335003152 387097550 /nfs/dbraw/zinc/09/75/50/387097550.db2.gz JXDTVVPVASBAAQ-UHFFFAOYSA-N -1 3 233.311 2.657 20 30 BFEDHM C=C(CC)CNC(=O)c1ccc([O-])c(CC)c1 ZINC000456812594 388224332 /nfs/dbraw/zinc/22/43/32/388224332.db2.gz NMWNIHKQQCZLBS-UHFFFAOYSA-N -1 3 233.311 2.651 20 30 BFEDHM Cc1csc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000334322623 134876897 /nfs/dbraw/zinc/87/68/97/134876897.db2.gz ISUASOIINQAYKO-SNVBAGLBSA-N -1 3 242.303 2.942 20 30 BFEDHM C=CCn1c(SCC/C=C\CC)n[n-]c1=O ZINC000341661529 135241383 /nfs/dbraw/zinc/24/13/83/135241383.db2.gz FIVMNJYMWWHZPX-WAYWQWQTSA-N -1 3 239.344 2.618 20 30 BFEDHM C=CCN(Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000263316616 135345199 /nfs/dbraw/zinc/34/51/99/135345199.db2.gz HTBCJXXLLKDNOJ-UHFFFAOYSA-N -1 3 231.295 2.535 20 30 BFEDHM N#Cc1ccnc(/C=C/c2cccc([O-])c2)c1 ZINC000335351691 136069206 /nfs/dbraw/zinc/06/92/06/136069206.db2.gz XIXDWNNFFXEVGH-SNAWJCMRSA-N -1 3 222.247 2.829 20 30 BFEDHM C=CCCCNCc1c(F)ccc([O-])c1F ZINC000294499748 166242234 /nfs/dbraw/zinc/24/22/34/166242234.db2.gz BKWRBAXBOODCFF-UHFFFAOYSA-N -1 3 227.254 2.726 20 30 BFEDHM C=CCN(CC=C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000271195928 166332004 /nfs/dbraw/zinc/33/20/04/166332004.db2.gz HNWAVTBXRGBMQB-UHFFFAOYSA-N -1 3 245.322 2.823 20 30 BFEDHM C=C(C)CN(C)Cc1ccc(F)cc1C(=O)[O-] ZINC000652430640 411241586 /nfs/dbraw/zinc/24/15/86/411241586.db2.gz SGBKAEKTTYDGPF-UHFFFAOYSA-N -1 3 237.274 2.532 20 30 BFEDHM C=C(CC)CN1CCc2cccc(C(=O)[O-])c2C1 ZINC000652487418 411255660 /nfs/dbraw/zinc/25/56/60/411255660.db2.gz DYFMBPLRFZZCGR-UHFFFAOYSA-N -1 3 245.322 2.709 20 30 BFEDHM C=CC[C@H]1CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000656760673 411344515 /nfs/dbraw/zinc/34/45/15/411344515.db2.gz XGNDLCQAZXCLJZ-NSHDSACASA-N -1 3 249.310 2.766 20 30 BFEDHM C=C1C[C@H]2CC[C@@H](C1)N2Cc1occc1C(=O)[O-] ZINC000659802076 411458439 /nfs/dbraw/zinc/45/84/39/411458439.db2.gz OQLFPPVOAKOUBN-PHIMTYICSA-N -1 3 247.294 2.661 20 30 BFEDHM C=C(C)CCSCc1nc(CC)cc(=O)[n-]1 ZINC000507097304 526462569 /nfs/dbraw/zinc/46/25/69/526462569.db2.gz FTMJPZHBMQEGIG-UHFFFAOYSA-N -1 3 238.356 2.944 20 30 BFEDHM O=C(N[O-])[C@H]1C[C@H]1c1c(Cl)cccc1Cl ZINC000671995884 487924505 /nfs/dbraw/zinc/92/45/05/487924505.db2.gz LSNWWERMJPPBIL-RITPCOANSA-N -1 3 246.093 2.602 20 30 BFEDHM C=CCCCN(CC)C(=O)c1cc([O-])cs1 ZINC000890812663 582573630 /nfs/dbraw/zinc/57/36/30/582573630.db2.gz NKGRGJQVUCTYRE-UHFFFAOYSA-N -1 3 239.340 2.882 20 30 BFEDHM C=C[C@H]1CCCCN1C(=O)c1cccc(C)c1[O-] ZINC000336143089 534692450 /nfs/dbraw/zinc/69/24/50/534692450.db2.gz RVGMAFFYNWAWPN-LBPRGKRZSA-N -1 3 245.322 2.881 20 30 BFEDHM C=C[C@H]1CCCCN1Cc1cccc(C(=O)[O-])c1 ZINC000263433993 534694307 /nfs/dbraw/zinc/69/43/07/534694307.db2.gz TWWHZMJYJAOXIP-AWEZNQCLSA-N -1 3 245.322 2.925 20 30 BFEDHM C=CCCO[N-]C(=O)C1(CC(C)C)CCC1 ZINC000856031833 583112973 /nfs/dbraw/zinc/11/29/73/583112973.db2.gz AAGNDPPLTMIZFK-UHFFFAOYSA-N -1 3 225.332 2.827 20 30 BFEDHM CC(=NOCC1CCC1)c1ccccc1[O-] ZINC000853440234 588743123 /nfs/dbraw/zinc/74/31/23/588743123.db2.gz ZCXZVHOPZDLUMQ-UHFFFAOYSA-N -1 3 219.284 2.933 20 30 BFEDHM [O-]c1ccc(F)cc1C=NOC/C=C/Cl ZINC000811669927 582487881 /nfs/dbraw/zinc/48/78/81/582487881.db2.gz LDBPFCPYYUXMQQ-AODHEHMHSA-N -1 3 229.638 2.634 20 30 BFEDHM CC(=NOC/C=C/Cl)c1sccc1[O-] ZINC000811670688 582488652 /nfs/dbraw/zinc/48/86/52/582488652.db2.gz YTSOSEFIUUWHNF-TWXZPSTKSA-N -1 3 231.704 2.947 20 30 BFEDHM C#CCO[N-]C(=O)/C=C/[C@]1(C)CC[C@@H](C)C1(C)C ZINC000855606477 588841526 /nfs/dbraw/zinc/84/15/26/588841526.db2.gz LZDRCNAHKSVSEY-AMLHFVAASA-N -1 3 249.354 2.686 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)C(CC)(CC)CC ZINC000846550867 582658585 /nfs/dbraw/zinc/65/85/85/582658585.db2.gz ZCPMDQLRVQVJRG-SNVBAGLBSA-N -1 3 213.321 2.825 20 30 BFEDHM CCN(Cc1ccc([O-])c(F)c1)C[C@@H](C)C#N ZINC000891715598 582713072 /nfs/dbraw/zinc/71/30/72/582713072.db2.gz GAZJEBZTFWVRBA-JTQLQIEISA-N -1 3 236.290 2.513 20 30 BFEDHM CCN(Cc1ccc([O-])c(F)c1)C[C@H](C)C#N ZINC000891715599 582713188 /nfs/dbraw/zinc/71/31/88/582713188.db2.gz GAZJEBZTFWVRBA-SNVBAGLBSA-N -1 3 236.290 2.513 20 30 BFEDHM C=CCCO[N-]C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000856027562 588855650 /nfs/dbraw/zinc/85/56/50/588855650.db2.gz QVTXZHKXSNZLOB-HIFRSBDPSA-N -1 3 245.322 2.804 20 30 BFEDHM C=CCCO[N-]C(=O)Cc1ccccc1Cl ZINC000856028364 588855829 /nfs/dbraw/zinc/85/58/29/588855829.db2.gz HADGFBLBXWBCEK-UHFFFAOYSA-N -1 3 239.702 2.506 20 30 BFEDHM C=CCCO[N-]C(=O)C[C@@H](C)c1ccccc1 ZINC000856028740 588855860 /nfs/dbraw/zinc/85/58/60/588855860.db2.gz NRQAEKXGXUTIMX-GFCCVEGCSA-N -1 3 233.311 2.804 20 30 BFEDHM C=CCCO[N-]C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC000856029494 588856301 /nfs/dbraw/zinc/85/63/01/588856301.db2.gz QBHUZIYDOFHEOU-VXGBXAGGSA-N -1 3 237.343 2.849 20 30 BFEDHM C=CCCO[N-]C(=O)C1(CC)CCCC1 ZINC000856032616 588856712 /nfs/dbraw/zinc/85/67/12/588856712.db2.gz NXZCHHMHLOAIMJ-UHFFFAOYSA-N -1 3 211.305 2.581 20 30 BFEDHM C=CCCO[N-]C(=O)C(C)(C)C1CCCC1 ZINC000856033234 588857163 /nfs/dbraw/zinc/85/71/63/588857163.db2.gz ATLBJDJSEJZDJM-UHFFFAOYSA-N -1 3 225.332 2.827 20 30 BFEDHM C=CCCO[N-]C(=O)CCc1ccc(C)s1 ZINC000856036239 588858322 /nfs/dbraw/zinc/85/83/22/588858322.db2.gz XFUZQNKFGBOBQC-UHFFFAOYSA-N -1 3 239.340 2.613 20 30 BFEDHM Cc1ccc(-c2ncc(C(=O)N[O-])s2)c(C)c1 ZINC000782172293 582869143 /nfs/dbraw/zinc/86/91/43/582869143.db2.gz PGYWGIYELIWYJC-UHFFFAOYSA-N -1 3 248.307 2.546 20 30 BFEDHM CC1CC(C/N=C/c2ccccc2[O-])C1 ZINC000856719706 588875127 /nfs/dbraw/zinc/87/51/27/588875127.db2.gz WDFPQNHPPYKLRO-NTEUORMPSA-N -1 3 203.285 2.857 20 30 BFEDHM CCCCCCCC[C@@H](C)C(=O)N[O-] ZINC000856846775 588879147 /nfs/dbraw/zinc/87/91/47/588879147.db2.gz FJGKMKLIRUNHAB-SNVBAGLBSA-N -1 3 201.310 2.879 20 30 BFEDHM CCOc1ccc(C=NOCC2CC2)c([O-])c1 ZINC000814245071 583351189 /nfs/dbraw/zinc/35/11/89/583351189.db2.gz QGNGUXCLMYKUBT-UHFFFAOYSA-N -1 3 235.283 2.551 20 30 BFEDHM C#C[C@H](CC)NCc1cc([O-])cc(Cl)c1 ZINC000894387135 583444791 /nfs/dbraw/zinc/44/47/91/583444791.db2.gz INRSXHWYADKUKH-LLVKDONJSA-N -1 3 223.703 2.547 20 30 BFEDHM CC[C@@](C)(C/N=C/c1ccccc1[O-])OC ZINC000840707386 583848420 /nfs/dbraw/zinc/84/84/20/583848420.db2.gz OQGVHZUBWZGLJZ-FYQHACEVSA-N -1 3 221.300 2.626 20 30 BFEDHM CC[C@](C)(C/N=C\c1ccccc1[O-])OC ZINC000840707380 583848481 /nfs/dbraw/zinc/84/84/81/583848481.db2.gz OQGVHZUBWZGLJZ-CKXDQPNJSA-N -1 3 221.300 2.626 20 30 BFEDHM CC(C)[C@]1(C)C[C@H]1/N=C\c1ccc(O)c([O-])c1O ZINC000840710149 583862817 /nfs/dbraw/zinc/86/28/17/583862817.db2.gz HZXPPGXAALTIAX-AGSLORCXSA-N -1 3 249.310 2.657 20 30 BFEDHM CC(N=Nc1ccccn1)c1ccc([O-])c(F)c1 ZINC000728427941 583879956 /nfs/dbraw/zinc/87/99/56/583879956.db2.gz LSCWFNIZTPFEGM-UHFFFAOYSA-N -1 3 245.257 2.762 20 30 BFEDHM CC(=NNc1ccccn1)c1ccc([O-])c(F)c1 ZINC000728427941 583879957 /nfs/dbraw/zinc/87/99/57/583879957.db2.gz LSCWFNIZTPFEGM-UHFFFAOYSA-N -1 3 245.257 2.762 20 30 BFEDHM C[C@@H]1C[C@H](C/N=C/c2ccccc2[O-])[C@@H](C)O1 ZINC000840712911 583880971 /nfs/dbraw/zinc/88/09/71/583880971.db2.gz MTJGPXOJOZQIQL-YJKAYWMFSA-N -1 3 233.311 2.625 20 30 BFEDHM CC#CCN(C)Cc1cccc(Cl)c1[O-] ZINC000897167640 583887018 /nfs/dbraw/zinc/88/70/18/583887018.db2.gz NXBKCXVOKBYRJJ-UHFFFAOYSA-N -1 3 223.703 2.501 20 30 BFEDHM CCOc1ccc(/C=N\CCCCC#N)c([O-])c1 ZINC000728785828 583909960 /nfs/dbraw/zinc/90/99/60/583909960.db2.gz RJDJZVWXFHDEFV-WJDWOHSUSA-N -1 3 246.310 2.904 20 30 BFEDHM C#CC[C@H]1CCN(Cc2cccc([O-])c2Cl)C1 ZINC000862447550 583963156 /nfs/dbraw/zinc/96/31/56/583963156.db2.gz NYJWYHZWTQTHOD-NSHDSACASA-N -1 3 249.741 2.891 20 30 BFEDHM [O-]c1ccccc1/C=N/C[C@@H]1CC[C@H](C2CC2)O1 ZINC000899232345 584183427 /nfs/dbraw/zinc/18/34/27/584183427.db2.gz ZZATZEMVMOKTIT-FMVCGGQUSA-N -1 3 245.322 2.769 20 30 BFEDHM Cc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)o1 ZINC000900093974 584272754 /nfs/dbraw/zinc/27/27/54/584272754.db2.gz DOAMMGLZRHDMLR-UHFFFAOYSA-N -1 3 249.241 2.759 20 30 BFEDHM O=C([C@H]1CC=CCC1)N([O-])Cc1ccc(F)cc1 ZINC000900095790 584273768 /nfs/dbraw/zinc/27/37/68/584273768.db2.gz JLYKZMIAHDONMI-LBPRGKRZSA-N -1 3 249.285 2.900 20 30 BFEDHM CCCCN([O-])C(=O)/C(C)=C\c1ccncc1 ZINC000900683118 584341647 /nfs/dbraw/zinc/34/16/47/584341647.db2.gz VLQYKCPTWXGIRQ-KHPPLWFESA-N -1 3 234.299 2.503 20 30 BFEDHM CC(=NOC1CCC1)c1ccc(F)c([O-])c1 ZINC000901244831 584407776 /nfs/dbraw/zinc/40/77/76/584407776.db2.gz YTSJQIQNYKPKBM-UHFFFAOYSA-N -1 3 223.247 2.824 20 30 BFEDHM CC(=NOC(C)C)c1ccc(F)c([O-])c1 ZINC000901249618 584409872 /nfs/dbraw/zinc/40/98/72/584409872.db2.gz DRQQRNVZYHNPOK-UHFFFAOYSA-N -1 3 211.236 2.680 20 30 BFEDHM CC1(C(=O)N([O-])Cc2ccc(F)cc2)CCC1 ZINC000901371670 584433984 /nfs/dbraw/zinc/43/39/84/584433984.db2.gz 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[O-]c1ccccc1/C=N/[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000840709149 587917516 /nfs/dbraw/zinc/91/75/16/587917516.db2.gz BGPCORKGWCRGOB-APQAAQMMSA-N -1 3 215.296 3.000 20 30 BFEDHM CC(=NNC12CC(C1)C2)c1ccc(C)cc1[O-] ZINC000842547150 588040701 /nfs/dbraw/zinc/04/07/01/588040701.db2.gz IELPISLFXCYOGZ-UHFFFAOYSA-N -1 3 230.311 2.567 20 30 BFEDHM C[C@@H]1C[C@H](/N=C\c2cc(Cl)ccc2[O-])CO1 ZINC000843265427 588096526 /nfs/dbraw/zinc/09/65/26/588096526.db2.gz VXCKKLBLGWNWCW-MSLQNXCRSA-N -1 3 239.702 2.642 20 30 BFEDHM C[C@@H]1SCC[C@H]1/N=C\c1ccccc1[O-] ZINC000843265185 588096676 /nfs/dbraw/zinc/09/66/76/588096676.db2.gz VJKGPTCNNMSBFG-MMFTZZHKSA-N -1 3 221.325 2.705 20 30 BFEDHM C=C[C@H](CC(=O)[N-]OCCC)c1ccccc1 ZINC000844086303 588164107 /nfs/dbraw/zinc/16/41/07/588164107.db2.gz YHYHZZXEAPDZEN-GFCCVEGCSA-N -1 3 233.311 2.804 20 30 BFEDHM C[C@H](/N=C/c1ccccc1[O-])c1ccccn1 ZINC000005228251 588177347 /nfs/dbraw/zinc/17/73/47/588177347.db2.gz JGDFLXRCLIQLQA-YAFRSCOQSA-N -1 3 226.279 2.967 20 30 BFEDHM C=C[C@@H](C)ON=C([O-])Nc1c(C)cccc1C ZINC000844486181 588199300 /nfs/dbraw/zinc/19/93/00/588199300.db2.gz LAMPSFBMYGAZAE-LLVKDONJSA-N -1 3 234.299 2.931 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1c(C)cccc1C ZINC000844486181 588199302 /nfs/dbraw/zinc/19/93/02/588199302.db2.gz LAMPSFBMYGAZAE-LLVKDONJSA-N -1 3 234.299 2.931 20 30 BFEDHM C=C[C@H](C)ON=C([O-])Nc1cscc1C ZINC000844568977 588203556 /nfs/dbraw/zinc/20/35/56/588203556.db2.gz FOVSSXDPLLAALZ-QMMMGPOBSA-N -1 3 226.301 2.684 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)Nc1cscc1C ZINC000844568977 588203557 /nfs/dbraw/zinc/20/35/57/588203557.db2.gz FOVSSXDPLLAALZ-QMMMGPOBSA-N -1 3 226.301 2.684 20 30 BFEDHM C=C[C@@H](C)ON=C([O-])Nc1cc(C)cc(F)c1 ZINC000844567577 588203673 /nfs/dbraw/zinc/20/36/73/588203673.db2.gz RWIYIBVSZRZGDN-SECBINFHSA-N -1 3 238.262 2.762 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1cc(C)cc(F)c1 ZINC000844567577 588203674 /nfs/dbraw/zinc/20/36/74/588203674.db2.gz RWIYIBVSZRZGDN-SECBINFHSA-N -1 3 238.262 2.762 20 30 BFEDHM C=C[C@H](C)ON=Cc1cc(C)ccc1[O-] ZINC000844621919 588209846 /nfs/dbraw/zinc/20/98/46/588209846.db2.gz PTWLKSVTHIUZKX-JTQLQIEISA-N -1 3 205.257 2.626 20 30 BFEDHM C=C[C@@H](C)ON=C(C)c1cc(F)ccc1[O-] ZINC000844625915 588211187 /nfs/dbraw/zinc/21/11/87/588211187.db2.gz VGEBFEPGMCJUMT-MRVPVSSYSA-N -1 3 223.247 2.846 20 30 BFEDHM C=C[C@H](C)ON=C(C)c1cc(F)ccc1[O-] ZINC000844625917 588211288 /nfs/dbraw/zinc/21/12/88/588211288.db2.gz VGEBFEPGMCJUMT-QMMMGPOBSA-N -1 3 223.247 2.846 20 30 BFEDHM C=C(C)CON=C([O-])N1CCc2c1cccc2C ZINC000845593168 588234405 /nfs/dbraw/zinc/23/44/05/588234405.db2.gz FOKAUSHKOLUOFZ-UHFFFAOYSA-N -1 3 246.310 2.575 20 30 BFEDHM C=C(C)CO[N-]C(=O)N1CCc2c1cccc2C ZINC000845593168 588234406 /nfs/dbraw/zinc/23/44/06/588234406.db2.gz FOKAUSHKOLUOFZ-UHFFFAOYSA-N -1 3 246.310 2.575 20 30 BFEDHM C=C[C@H](C)ON=C([O-])N1c2ccccc2C[C@@H]1C ZINC000845640654 588239398 /nfs/dbraw/zinc/23/93/98/588239398.db2.gz ZQXPFMUNHCYPNC-QWRGUYRKSA-N -1 3 246.310 2.653 20 30 BFEDHM 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BFEDHM C=C[C@@H](C)O[N-]C(=O)CCCSC(C)(C)C ZINC000846546324 588274198 /nfs/dbraw/zinc/27/41/98/588274198.db2.gz BMKWHGBSCXTIPI-SNVBAGLBSA-N -1 3 245.388 2.921 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)CC1CCCCCC1 ZINC000846547776 588274378 /nfs/dbraw/zinc/27/43/78/588274378.db2.gz QQNORYJRKKTGGD-NSHDSACASA-N -1 3 225.332 2.969 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)CC(C)C ZINC000846548126 588274729 /nfs/dbraw/zinc/27/47/29/588274729.db2.gz DDYBDIYMXPWVCX-QWRGUYRKSA-N -1 3 213.321 2.681 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)CCCCCCC(C)=O ZINC000846548319 588274934 /nfs/dbraw/zinc/27/49/34/588274934.db2.gz NLTGDRJHBCJZFC-GFCCVEGCSA-N -1 3 241.331 2.538 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)CCCC1CCCC1 ZINC000846549090 588275019 /nfs/dbraw/zinc/27/50/19/588275019.db2.gz XKNMCNXKHYFBPA-LLVKDONJSA-N -1 3 225.332 2.969 20 30 BFEDHM C=C[C@H](C)ONC(=O)c1ccc(C(C)C)cc1[O-] ZINC000846551226 588275877 /nfs/dbraw/zinc/27/58/77/588275877.db2.gz YDYBQRMBTAVQBI-JTQLQIEISA-N -1 3 249.310 2.752 20 30 BFEDHM 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CC[C@H](C)CC/N=C/c1ccc(O)c([O-])c1O ZINC000849170793 588459672 /nfs/dbraw/zinc/45/96/72/588459672.db2.gz ULPJIZZTOLLJIX-PFMRQGHBSA-N -1 3 237.299 2.659 20 30 BFEDHM CC(C)(F)CC/N=C\c1ccccc1[O-] ZINC000849172082 588459921 /nfs/dbraw/zinc/45/99/21/588459921.db2.gz LTFQRYYIEBZUGL-ZROIWOOFSA-N -1 3 209.264 2.949 20 30 BFEDHM C[C@@H]1CCC[C@@H](C/N=C/c2ccccc2[O-])O1 ZINC000849172796 588459926 /nfs/dbraw/zinc/45/99/26/588459926.db2.gz ZSLRQESXPIVFSP-JXIANXGOSA-N -1 3 233.311 2.769 20 30 BFEDHM CCCCCCCCN(C)Cc1n[n-]c(=O)o1 ZINC000852189146 588671106 /nfs/dbraw/zinc/67/11/06/588671106.db2.gz XNASXCWICYQKJK-UHFFFAOYSA-N -1 3 241.335 2.568 20 30 BFEDHM C=C(C)CO[N-]C(=O)CCCCCCSC ZINC000862132920 589192947 /nfs/dbraw/zinc/19/29/47/589192947.db2.gz PBDXPFRHJMFIST-UHFFFAOYSA-N -1 3 245.388 2.924 20 30 BFEDHM CCC(CC)CC(=O)[N-]Oc1cccc(C#N)c1 ZINC000870692104 589684860 /nfs/dbraw/zinc/68/48/60/589684860.db2.gz XLZZVUAJSHMGHW-UHFFFAOYSA-N -1 3 246.310 2.795 20 30 BFEDHM [O-]c1ccccc1/C=N\C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000871596761 589771404 /nfs/dbraw/zinc/77/14/04/589771404.db2.gz CWFYZQQLGMHLIA-ISLNALAGSA-N -1 3 245.322 2.769 20 30 BFEDHM C=C(Cl)CN[C@H](C)c1cccc([O-])c1F ZINC000872044406 589859664 /nfs/dbraw/zinc/85/96/64/589859664.db2.gz AUBISAQUXDDYMK-MRVPVSSYSA-N -1 3 229.682 2.934 20 30 BFEDHM C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc([O-])c1F ZINC000872082129 589866409 /nfs/dbraw/zinc/86/64/09/589866409.db2.gz PUDREDZLDBCRJL-OUAUKWLOSA-N -1 3 248.301 2.874 20 30 BFEDHM Cc1ccc(C=NN2CCCC[C@@H]2C)c([O-])c1 ZINC000872388084 589930669 /nfs/dbraw/zinc/93/06/69/589930669.db2.gz BDTFCCGHOJRKKT-LBPRGKRZSA-N -1 3 232.327 2.909 20 30 BFEDHM C=CCC(C)(C)CNc1cc(Cl)n[n-]c1=O ZINC000872553464 589950024 /nfs/dbraw/zinc/95/00/24/589950024.db2.gz MHVYVRNGXNHCER-UHFFFAOYSA-N -1 3 241.722 2.850 20 30 BFEDHM C=CC(C)(C)CCNc1cc(Cl)n[n-]c1=O ZINC000872614434 589956886 /nfs/dbraw/zinc/95/68/86/589956886.db2.gz UJGMWYOGFWVJPX-UHFFFAOYSA-N -1 3 241.722 2.850 20 30 BFEDHM 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C=CC[C@@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000882121860 591301020 /nfs/dbraw/zinc/30/10/20/591301020.db2.gz ZOCUETJZAGAFFA-SECBINFHSA-N -1 3 246.339 2.923 20 30 BFEDHM [O-]c1c(O)ccc(/C=N\C2CCC=CCC2)c1O ZINC000887272494 592474093 /nfs/dbraw/zinc/47/40/93/592474093.db2.gz OCKZNPIAZZTVEZ-DHDCSXOGSA-N -1 3 247.294 2.721 20 30 BFEDHM [O-]c1ccccc1/C=N\[C@@H]1CCC[C@]12CCCO2 ZINC000887270688 592474489 /nfs/dbraw/zinc/47/44/89/592474489.db2.gz RKSTZGXBFSFKMF-RKUWFUAISA-N -1 3 245.322 2.913 20 30 BFEDHM C=C[C@H]1CCCCN1Cc1ccoc1C(=O)[O-] ZINC000902545509 637307687 /nfs/dbraw/zinc/30/76/87/637307687.db2.gz XVCRMTRRQUUWEJ-NSHDSACASA-N -1 3 235.283 2.518 20 30 BFEDHM CCCCN([O-])C(=O)c1ncsc1C1CC1 ZINC000904215873 637391208 /nfs/dbraw/zinc/39/12/08/637391208.db2.gz OHFPHOKXXWHIKQ-UHFFFAOYSA-N -1 3 240.328 2.652 20 30 BFEDHM CC(C)c1nn(C)cc1-c1ccc([O-])cc1C#N ZINC000904809166 637480366 /nfs/dbraw/zinc/48/03/66/637480366.db2.gz OQXHVDGASRLGIF-UHFFFAOYSA-N -1 3 241.294 2.788 20 30 BFEDHM N#CC(=C([O-])C=Cc1ccco1)c1ccccn1 ZINC000046439265 640766886 /nfs/dbraw/zinc/76/68/86/640766886.db2.gz XTFHQEVBNFYXTR-NNNHXZLVSA-N -1 3 238.246 2.564 20 30 BFEDHM C#CCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000170718698 640914783 /nfs/dbraw/zinc/91/47/83/640914783.db2.gz TWJROMWHPKSHPR-UHFFFAOYSA-N -1 3 232.066 2.502 20 30 BFEDHM C=CCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000097150371 641604419 /nfs/dbraw/zinc/60/44/19/641604419.db2.gz VVGASLNILSFHOH-UHFFFAOYSA-N -1 3 220.055 2.664 20 30 BFEDHM C=CCO[N-]C(=O)C[C@@H]1CCCCC1(C)C ZINC000837046110 641838638 /nfs/dbraw/zinc/83/86/38/641838638.db2.gz DLAUHDXLJOHUEZ-NSHDSACASA-N -1 3 225.332 2.827 20 30 BFEDHM CC[C@@H](C)CON=Cc1ccc([O-])cc1F ZINC000844597448 645337617 /nfs/dbraw/zinc/33/76/17/645337617.db2.gz IKTABPKBRUAAQZ-SECBINFHSA-N -1 3 225.263 2.928 20 30 BFEDHM C[C@@H](NN=Cc1ccc([O-])cc1F)C(C)(C)C ZINC000844597008 645337674 /nfs/dbraw/zinc/33/76/74/645337674.db2.gz GCKACNKZHVXIQN-SECBINFHSA-N -1 3 238.306 2.889 20 30 BFEDHM 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241.718 2.900 20 30 BFEDHM CCCCN([O-])C(=O)Cc1ccccc1C ZINC001559035238 991023649 /nfs/dbraw/zinc/02/36/49/991023649.db2.gz IMPWMSCQAZWATL-UHFFFAOYSA-N -1 3 221.300 2.555 20 30 BFEDHM CCCCN([O-])C(=O)[C@H]1CCCC1(C)C ZINC001559035381 991025081 /nfs/dbraw/zinc/02/50/81/991025081.db2.gz OHOZBILSMZEETF-SNVBAGLBSA-N -1 3 213.321 2.831 20 30 BFEDHM CCCCCCN([O-])C(=O)[C@@]1(C)CCCCO1 ZINC001559034843 991025378 /nfs/dbraw/zinc/02/53/78/991025378.db2.gz RMMVCCDLDBQEPE-CYBMUJFWSA-N -1 3 243.347 2.744 20 30 BFEDHM C=CCO[N-]C(=O)/C=C\Sc1ccccc1 ZINC001569150766 992338338 /nfs/dbraw/zinc/33/83/38/992338338.db2.gz LXIXAMRHSDGCBR-NTMALXAHSA-N -1 3 235.308 2.526 20 30 BFEDHM O=C(CC1CC1)N([O-])Cc1ccccc1Cl ZINC001262165314 992731532 /nfs/dbraw/zinc/73/15/32/992731532.db2.gz PGIPOWPJQFQWRW-UHFFFAOYSA-N -1 3 239.702 2.858 20 30 BFEDHM C=CC1(CC(=O)[N-]OCCC)CCCCC1 ZINC001299905037 994982121 /nfs/dbraw/zinc/98/21/21/994982121.db2.gz DNSYQGSTIFPQTD-UHFFFAOYSA-N -1 3 225.332 2.971 20 30 BFEDHM 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ZINC000186235813 347229093 /nfs/dbraw/zinc/22/90/93/347229093.db2.gz BITFIYDDRUGMCG-UHFFFAOYSA-N -1 3 248.301 2.799 20 30 BFEDHM CC[C@H](C#N)C(=O)Nc1c([O-])cccc1Cl ZINC000594367346 348043119 /nfs/dbraw/zinc/04/31/19/348043119.db2.gz LBWKFNOLSHNCQZ-SSDOTTSWSA-N -1 3 238.674 2.534 20 30 BFEDHM CC(C)(C#N)C(=O)Nc1ccc([O-])cc1Cl ZINC000597858992 348829690 /nfs/dbraw/zinc/82/96/90/348829690.db2.gz YOAPSZMTZVYFOY-UHFFFAOYSA-N -1 3 238.674 2.534 20 30 BFEDHM C=CCC(CC=C)C(=O)Nc1nc(C)ccc1[O-] ZINC000273538315 192395447 /nfs/dbraw/zinc/39/54/47/192395447.db2.gz SSBVAYVNRPIIRQ-UHFFFAOYSA-N -1 3 246.310 2.803 20 30 BFEDHM C[C@@H](/N=C/c1ccccc1[O-])[C@@H]1CCCCO1 ZINC000271930661 351445867 /nfs/dbraw/zinc/44/58/67/351445867.db2.gz KUTNASWDVUCRLV-CUUNMWDPSA-N -1 3 233.311 2.769 20 30 BFEDHM C=C(Cl)CN[C@H](C)c1cc(F)ccc1[O-] ZINC000164632570 188045979 /nfs/dbraw/zinc/04/59/79/188045979.db2.gz GYYGXYSOKGYEPZ-MRVPVSSYSA-N -1 3 229.682 2.934 20 30 BFEDHM N#Cc1ccc(Sc2cccc([O-])c2)nc1 ZINC000126663288 188047743 /nfs/dbraw/zinc/04/77/43/188047743.db2.gz NXROWAIWMVOLQH-UHFFFAOYSA-N -1 3 228.276 2.810 20 30 BFEDHM CCc1ccc([O-])c(C(=O)N[C@@H](C#N)C(C)C)c1 ZINC000330961408 353204621 /nfs/dbraw/zinc/20/46/21/353204621.db2.gz AXWJITBUDKDFEJ-LBPRGKRZSA-N -1 3 246.310 2.807 20 30 BFEDHM CC(C)CCCNC(=O)c1csc(=O)[n-]1 ZINC000331001253 353210535 /nfs/dbraw/zinc/21/05/35/353210535.db2.gz XASANGIQADJLBY-UHFFFAOYSA-N -1 3 228.317 2.590 20 30 BFEDHM C#CCCCCC(=O)Nc1cc(F)ccc1[O-] ZINC000180489870 353394168 /nfs/dbraw/zinc/39/41/68/353394168.db2.gz BCUHXMBDOORGKU-UHFFFAOYSA-N -1 3 235.258 2.663 20 30 BFEDHM C=CC[C@@H](C)NC(=O)c1ccc([O-])c(CC)c1 ZINC000291714895 353697174 /nfs/dbraw/zinc/69/71/74/353697174.db2.gz ASONHMIKYHERAK-SNVBAGLBSA-N -1 3 233.311 2.649 20 30 BFEDHM C=CCN(CC=C)C(=O)c1ccc([O-])c(CC)c1 ZINC000291451199 353693126 /nfs/dbraw/zinc/69/31/26/353693126.db2.gz MBJUHVARNPOCRZ-UHFFFAOYSA-N -1 3 245.322 2.769 20 30 BFEDHM C=CCC(C)(C)C(=O)[N-]OCc1ccccc1 ZINC000292104001 353709677 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C[C@@H](C#N)CN(Cc1ccccc1[O-])C1CC1 ZINC000770505339 585575264 /nfs/dbraw/zinc/57/52/64/585575264.db2.gz QMFDNNLHURRIIR-NSHDSACASA-N -1 3 230.311 2.516 20 30 BFEDHM C[C@@H]1CC[C@H](OC(=O)c2ccc(C#N)[n-]2)C[C@H]1C ZINC000770991938 585586334 /nfs/dbraw/zinc/58/63/34/585586334.db2.gz KVNTWOSUBCRNAX-FOGDFJRCSA-N -1 3 246.310 2.868 20 30 BFEDHM CC(=NNCC(C)C)c1ccc([O-])c(F)c1 ZINC000771562077 585596106 /nfs/dbraw/zinc/59/61/06/585596106.db2.gz OZYNHGWFRQKRTF-UHFFFAOYSA-N -1 3 224.279 2.501 20 30 BFEDHM CC(=NNCC(C)C)c1ccc([O-])cc1F ZINC000771567661 585596265 /nfs/dbraw/zinc/59/62/65/585596265.db2.gz QXLPRYVYUWQCRO-UHFFFAOYSA-N -1 3 224.279 2.501 20 30 BFEDHM C=CCCCOC(=O)c1c([O-])cccc1F ZINC000772579438 585618479 /nfs/dbraw/zinc/61/84/79/585618479.db2.gz BHIXJXMKAPDGHX-UHFFFAOYSA-N -1 3 224.231 2.654 20 30 BFEDHM C=C(CC)COC(=O)c1c([O-])cccc1F ZINC000772581771 585618685 /nfs/dbraw/zinc/61/86/85/585618685.db2.gz KPZFFTBUEUVIRI-UHFFFAOYSA-N -1 3 224.231 2.654 20 30 BFEDHM C=C(CC)COC(=O)c1cc([O-])cs1 ZINC000773518418 585639040 /nfs/dbraw/zinc/63/90/40/585639040.db2.gz LEUZDSFKOCRRRQ-UHFFFAOYSA-N -1 3 212.270 2.577 20 30 BFEDHM C=C(CC)COC(=O)c1ccc(F)cc1[O-] ZINC000773535124 585639663 /nfs/dbraw/zinc/63/96/63/585639663.db2.gz IPNFZRYOFUXCTA-UHFFFAOYSA-N -1 3 224.231 2.654 20 30 BFEDHM CC(=NOC1CCOCC1)c1cc(C)ccc1[O-] ZINC000774450953 585659459 /nfs/dbraw/zinc/65/94/59/585659459.db2.gz NINFLGJOXYSYRH-UHFFFAOYSA-N -1 3 249.310 2.620 20 30 BFEDHM COc1cccc([O-])c1C=NOC1CCCC1 ZINC000774603478 585661925 /nfs/dbraw/zinc/66/19/25/585661925.db2.gz VDTOSFGEUWEDIO-UHFFFAOYSA-N -1 3 235.283 2.694 20 30 BFEDHM Cc1cc([O-])ccc1C(=O)OCCC(C)(C)C#N ZINC000776398618 585697769 /nfs/dbraw/zinc/69/77/69/585697769.db2.gz MZSCKBOGYLEQRU-UHFFFAOYSA-N -1 3 247.294 2.797 20 30 BFEDHM [O-]c1c(O)cccc1C=NOC1CCCCC1 ZINC000777459519 585712976 /nfs/dbraw/zinc/71/29/76/585712976.db2.gz RLUAWRISFKGVHR-UHFFFAOYSA-N -1 3 235.283 2.781 20 30 BFEDHM Cc1cc(C(=O)OCCC(C)(C)C#N)ccc1[O-] ZINC000778856987 585741657 /nfs/dbraw/zinc/74/16/57/585741657.db2.gz RGNSCEKHHIFCNO-UHFFFAOYSA-N -1 3 247.294 2.797 20 30 BFEDHM Cc1cc(C(=O)OCCCCC#N)ccc1[O-] ZINC000778853478 585741701 /nfs/dbraw/zinc/74/17/01/585741701.db2.gz LUAOEJSULMRQBT-UHFFFAOYSA-N -1 3 233.267 2.551 20 30 BFEDHM CC[C@H](C#N)OC(=O)c1ccc(Cl)cc1[O-] ZINC000781131903 585791177 /nfs/dbraw/zinc/79/11/77/585791177.db2.gz NMWBWNQERGMVRL-MRVPVSSYSA-N -1 3 239.658 2.505 20 30 BFEDHM C=C[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000781576317 585799253 /nfs/dbraw/zinc/79/92/53/585799253.db2.gz IMFVYTBFALPIMU-SSDOTTSWSA-N -1 3 221.281 2.961 20 30 BFEDHM C[C@@H](C(=O)N[O-])c1c(Cl)cccc1Cl ZINC000782172522 585808959 /nfs/dbraw/zinc/80/89/59/585808959.db2.gz WKOFYYMPCUAUPR-RXMQYKEDSA-N -1 3 234.082 2.602 20 30 BFEDHM O=C(Cc1cc2c(ccc3ccccc23)o1)N[O-] ZINC000782173688 585809507 /nfs/dbraw/zinc/80/95/07/585809507.db2.gz YSBIQOOJDREALI-UHFFFAOYSA-N -1 3 241.246 2.634 20 30 BFEDHM Cc1nc(C2CCCCC2)sc1C(=O)N[O-] ZINC000782173700 585809533 /nfs/dbraw/zinc/80/95/33/585809533.db2.gz ZAWYOWHMIGSBMO-UHFFFAOYSA-N -1 3 240.328 2.618 20 30 BFEDHM CC(C)[C@H](CC1CCCCC1)C(=O)N[O-] ZINC000782173565 585809573 /nfs/dbraw/zinc/80/95/73/585809573.db2.gz UGOGCDVHMKBVNS-NSHDSACASA-N -1 3 213.321 2.734 20 30 BFEDHM CC1CCC(COC(=O)c2ccc(C#N)[n-]2)CC1 ZINC000786092840 585887053 /nfs/dbraw/zinc/88/70/53/585887053.db2.gz NRYXZEBEJOVAFN-UHFFFAOYSA-N -1 3 246.310 2.869 20 30 BFEDHM C=CCN(C(=O)c1ccc(CC)cc1[O-])C(C)C ZINC000786892679 585898447 /nfs/dbraw/zinc/89/84/47/585898447.db2.gz WZWQAOGZZIWHHX-UHFFFAOYSA-N -1 3 247.338 2.991 20 30 BFEDHM C#CCCC/N=C/c1ccc(OCC)cc1[O-] ZINC000788674196 585928909 /nfs/dbraw/zinc/92/89/09/585928909.db2.gz FNMDHKOMAYBZPH-RVDMUPIBSA-N -1 3 231.295 2.623 20 30 BFEDHM CC[C@H](C)NN=C(C)c1ccc(OC)cc1[O-] ZINC000790190913 585960585 /nfs/dbraw/zinc/96/05/85/585960585.db2.gz WDXLQDNBJDSDPS-VIFPVBQESA-N -1 3 236.315 2.513 20 30 BFEDHM CC1(CNN=Cc2ccc(O)cc2[O-])CCCC1 ZINC000793084495 586010078 /nfs/dbraw/zinc/01/00/78/586010078.db2.gz PHNAJZVUAWSVBT-UHFFFAOYSA-N -1 3 248.326 2.602 20 30 BFEDHM CSCCON=Cc1c([O-])cccc1Cl ZINC000794574813 586044673 /nfs/dbraw/zinc/04/46/73/586044673.db2.gz QSZCIGQNAQPYSW-UHFFFAOYSA-N -1 3 245.731 2.759 20 30 BFEDHM C[C@@H]1CC[C@H](C/N=C/c2ccc(O)c([O-])c2O)C1 ZINC000794847195 586050921 /nfs/dbraw/zinc/05/09/21/586050921.db2.gz FQBXPNGYLNYBBW-RBMASBHUSA-N -1 3 249.310 2.659 20 30 BFEDHM C#CCCCCCC(=O)[N-]OC[C@H](C)CC ZINC000794866648 586052316 /nfs/dbraw/zinc/05/23/16/586052316.db2.gz SVSXTVHKLCNAIC-GFCCVEGCSA-N -1 3 225.332 2.664 20 30 BFEDHM C=C(C)CCO[N-]C(=O)Cc1ccc(C)cc1 ZINC000795204716 586071793 /nfs/dbraw/zinc/07/17/93/586071793.db2.gz KRUUKALKIQBYIU-UHFFFAOYSA-N -1 3 233.311 2.552 20 30 BFEDHM C#CCCOC(=O)c1cc([O-])c2ccccc2c1 ZINC000795682249 586091163 /nfs/dbraw/zinc/09/11/63/586091163.db2.gz SKLSUZNLVCFJLJ-UHFFFAOYSA-N -1 3 240.258 2.726 20 30 BFEDHM CC#CCOC(=O)c1cc([O-])c2ccccc2c1 ZINC000795680474 586091264 /nfs/dbraw/zinc/09/12/64/586091264.db2.gz JJQAEDUSCXHVMG-UHFFFAOYSA-N -1 3 240.258 2.726 20 30 BFEDHM COc1cccc([O-])c1/C=N\CC1(CC#N)CC1 ZINC000797397597 586126145 /nfs/dbraw/zinc/12/61/45/586126145.db2.gz FLQHLMHAMPFNRJ-SXGWCWSVSA-N -1 3 244.294 2.514 20 30 BFEDHM CCON=C(C)c1c(C)cc(C)cc1[O-] ZINC000799874304 586198796 /nfs/dbraw/zinc/19/87/96/586198796.db2.gz GAGKUHPXYCQAPL-UHFFFAOYSA-N -1 3 207.273 2.770 20 30 BFEDHM CC(=NN[C@H](C)CC#N)c1c(C)cc(C)cc1[O-] ZINC000799883048 586200304 /nfs/dbraw/zinc/20/03/04/586200304.db2.gz NXIZJPDKTUNLIO-LLVKDONJSA-N -1 3 245.326 2.625 20 30 BFEDHM CON=C(C)c1cc(Cl)cc(C)c1[O-] ZINC000807962348 586453315 /nfs/dbraw/zinc/45/33/15/586453315.db2.gz VWBOUVALIFVJTA-UHFFFAOYSA-N -1 3 213.664 2.724 20 30 BFEDHM CC/C=C\CCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811186611 586556994 /nfs/dbraw/zinc/55/69/94/586556994.db2.gz ROMWYCSPNRURHK-ARJAWSKDSA-N -1 3 245.278 2.777 20 30 BFEDHM [O-]c1ccccc1C=NNc1ccccc1F ZINC000812458331 586577404 /nfs/dbraw/zinc/57/74/04/586577404.db2.gz AISOELHMUGJKFF-UHFFFAOYSA-N -1 3 230.242 2.977 20 30 BFEDHM C=CCNN=Cc1ccc2ccccc2c1[O-] ZINC000814927786 586652407 /nfs/dbraw/zinc/65/24/07/586652407.db2.gz GLASWJSUVYEZGL-UHFFFAOYSA-N -1 3 226.279 2.655 20 30 BFEDHM CC1(C)CC[C@@H](OC(=O)c2ccc(C#N)[n-]2)C1 ZINC000820584165 587056237 /nfs/dbraw/zinc/05/62/37/587056237.db2.gz RCUOAFMZJFBTDB-SNVBAGLBSA-N -1 3 232.283 2.622 20 30 BFEDHM C=CCO[N-]C(=O)C1(CCc2ccccc2)CC1 ZINC000821891535 587145909 /nfs/dbraw/zinc/14/59/09/587145909.db2.gz GHBYKWUFZILQIP-UHFFFAOYSA-N -1 3 245.322 2.633 20 30 BFEDHM CC(C)(C)c1ccc(SCC(=O)N[O-])cc1 ZINC000822219551 587158526 /nfs/dbraw/zinc/15/85/26/587158526.db2.gz JICMDFRWOFRVHU-UHFFFAOYSA-N -1 3 239.340 2.582 20 30 BFEDHM C=C(CC)COC(=O)c1c(Cl)[n-]nc1CC ZINC000860223209 589090452 /nfs/dbraw/zinc/09/04/52/589090452.db2.gz OMRSHXGNHHNURK-UHFFFAOYSA-N -1 3 242.706 2.749 20 30 BFEDHM C=C(CC)COC(=O)c1c(Cl)n[n-]c1CC ZINC000860223209 589090454 /nfs/dbraw/zinc/09/04/54/589090454.db2.gz OMRSHXGNHHNURK-UHFFFAOYSA-N -1 3 242.706 2.749 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)C1(CCCC)CC1 ZINC000824033912 587250152 /nfs/dbraw/zinc/25/01/52/587250152.db2.gz VTQVWIMLXJOTSK-SNVBAGLBSA-N -1 3 211.305 2.579 20 30 BFEDHM C=CC[C@H](C)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000825659786 587329633 /nfs/dbraw/zinc/32/96/33/587329633.db2.gz FPCFSWRPTJMMHW-JOYOIKCWSA-N -1 3 237.274 2.506 20 30 BFEDHM C=C[C@H](CC)CC(=O)[N-]Oc1ccccc1F ZINC000828984754 587477491 /nfs/dbraw/zinc/47/74/91/587477491.db2.gz HYTJZHORPHQDER-SNVBAGLBSA-N -1 3 237.274 2.838 20 30 BFEDHM [O-]c1cccc2c1C(=NNC1CCCC1)CC2 ZINC000834953497 587772298 /nfs/dbraw/zinc/77/22/98/587772298.db2.gz ICLQVVBYTALXDO-UHFFFAOYSA-N -1 3 230.311 2.575 20 30 BFEDHM [O-]c1cccc2c1C(=NNC1CCCCC1)CC2 ZINC000834971955 587774616 /nfs/dbraw/zinc/77/46/16/587774616.db2.gz IMTUPFZJLSAVCL-UHFFFAOYSA-N -1 3 244.338 2.965 20 30 BFEDHM [O-]c1cccc2c1C(=NOC/C=C/Cl)CC2 ZINC000834978950 587775337 /nfs/dbraw/zinc/77/53/37/587775337.db2.gz JZFLCLFPGHBZIC-WJIWBMDOSA-N -1 3 237.686 2.812 20 30 BFEDHM C=CCON=C([O-])Nc1c(C)cc(C)cc1C ZINC000836186037 587828182 /nfs/dbraw/zinc/82/81/82/587828182.db2.gz KFLBGZDYZCXWSB-UHFFFAOYSA-N -1 3 234.299 2.851 20 30 BFEDHM C=CCO[N-]C(=O)Nc1c(C)cc(C)cc1C ZINC000836186037 587828183 /nfs/dbraw/zinc/82/81/83/587828183.db2.gz KFLBGZDYZCXWSB-UHFFFAOYSA-N -1 3 234.299 2.851 20 30 BFEDHM C=CCON=C([O-])Nc1cc(C)cc(C)c1 ZINC000836199022 587828486 /nfs/dbraw/zinc/82/84/86/587828486.db2.gz QVXPCLJGXWHHOH-UHFFFAOYSA-N -1 3 220.272 2.543 20 30 BFEDHM C=CCO[N-]C(=O)Nc1cc(C)cc(C)c1 ZINC000836199022 587828487 /nfs/dbraw/zinc/82/84/87/587828487.db2.gz QVXPCLJGXWHHOH-UHFFFAOYSA-N -1 3 220.272 2.543 20 30 BFEDHM C=CCON=C([O-])Nc1ccc(C)c(CC)c1 ZINC000836494213 587834223 /nfs/dbraw/zinc/83/42/23/587834223.db2.gz POSQDEFARGFWLI-UHFFFAOYSA-N -1 3 234.299 2.797 20 30 BFEDHM C=CCO[N-]C(=O)Nc1ccc(C)c(CC)c1 ZINC000836494213 587834224 /nfs/dbraw/zinc/83/42/24/587834224.db2.gz POSQDEFARGFWLI-UHFFFAOYSA-N -1 3 234.299 2.797 20 30 BFEDHM C=CCON=C([O-])Nc1ccc(F)c(CC)c1 ZINC000836612766 587835655 /nfs/dbraw/zinc/83/56/55/587835655.db2.gz GIKIOLBFLLRBFB-UHFFFAOYSA-N -1 3 238.262 2.627 20 30 BFEDHM C=CCO[N-]C(=O)Nc1ccc(F)c(CC)c1 ZINC000836612766 587835656 /nfs/dbraw/zinc/83/56/56/587835656.db2.gz GIKIOLBFLLRBFB-UHFFFAOYSA-N -1 3 238.262 2.627 20 30 BFEDHM C=CCO[N-]C(=O)CCCCCC(C)C ZINC000837047443 587850302 /nfs/dbraw/zinc/85/03/02/587850302.db2.gz FNQNORMFEXKONI-UHFFFAOYSA-N -1 3 213.321 2.827 20 30 BFEDHM C=CCO[N-]C(=O)[C@H](Cc1ccccc1)C(C)C ZINC000837048323 587851520 /nfs/dbraw/zinc/85/15/20/587851520.db2.gz PWTOMFGLXZWNFL-CQSZACIVSA-N -1 3 247.338 2.735 20 30 BFEDHM C=CCO[N-]C(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000837049841 587852001 /nfs/dbraw/zinc/85/20/01/587852001.db2.gz RHWMPAPXDJPKDH-ZIAGYGMSSA-N -1 3 245.322 2.804 20 30 BFEDHM CC(C)(C)C#CC(=O)Nc1cc(F)ccc1[O-] ZINC000837497488 587877515 /nfs/dbraw/zinc/87/75/15/587877515.db2.gz AFAXFYDDJHFGRZ-UHFFFAOYSA-N -1 3 235.258 2.519 20 30 BFEDHM Cc1cccc([O-])c1NC(=O)C#CC(C)(C)C ZINC000837509547 587878719 /nfs/dbraw/zinc/87/87/19/587878719.db2.gz QKEZDCFPXGSTCX-UHFFFAOYSA-N -1 3 231.295 2.689 20 30 BFEDHM C=CCC(C)(C)C/N=C\c1ccc(O)c([O-])c1O ZINC000840707446 587917127 /nfs/dbraw/zinc/91/71/27/587917127.db2.gz VCBNVMYCMQJNRW-NVNXTCNLSA-N -1 3 249.310 2.825 20 30 BFEDHM C[C@@H]1CCC[C@H]1/N=C/c1ccccc1[O-] ZINC000105356666 588142912 /nfs/dbraw/zinc/14/29/12/588142912.db2.gz HXRMSQFUIYIQOJ-NPOOOHJJSA-N -1 3 203.285 3.000 20 30 BFEDHM C=C[C@@H](C)ON=C([O-])Nc1cccc(C)c1C ZINC000844478977 588198895 /nfs/dbraw/zinc/19/88/95/588198895.db2.gz IEHSYLDJVQLXMY-SNVBAGLBSA-N -1 3 234.299 2.931 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1cccc(C)c1C ZINC000844478977 588198896 /nfs/dbraw/zinc/19/88/96/588198896.db2.gz IEHSYLDJVQLXMY-SNVBAGLBSA-N -1 3 234.299 2.931 20 30 BFEDHM C=C(C)CON=C([O-])Nc1cccc(C)c1C ZINC000844479510 588198930 /nfs/dbraw/zinc/19/89/30/588198930.db2.gz NZEPSSJJDKHTIS-UHFFFAOYSA-N -1 3 234.299 2.933 20 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C=C[C@H](C)ON=C1CCc2c1ccc([O-])c2F ZINC000844625515 588211208 /nfs/dbraw/zinc/21/12/08/588211208.db2.gz NBVTWQBSLIGTJN-QMMMGPOBSA-N -1 3 235.258 2.773 20 30 BFEDHM C=C[C@@H](C)ON=C([O-])Nc1ccc(C)s1 ZINC000844780575 588216811 /nfs/dbraw/zinc/21/68/11/588216811.db2.gz VRAMYKFOJFHGKC-SSDOTTSWSA-N -1 3 226.301 2.684 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ccc(C)s1 ZINC000844780575 588216812 /nfs/dbraw/zinc/21/68/12/588216812.db2.gz VRAMYKFOJFHGKC-SSDOTTSWSA-N -1 3 226.301 2.684 20 30 BFEDHM C=C[C@H](C)ON=C([O-])N1c2ccccc2C[C@H]1C ZINC000845640652 588239231 /nfs/dbraw/zinc/23/92/31/588239231.db2.gz ZQXPFMUNHCYPNC-MNOVXSKESA-N -1 3 246.310 2.653 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)N1c2ccccc2C[C@H]1C ZINC000845640652 588239232 /nfs/dbraw/zinc/23/92/32/588239232.db2.gz ZQXPFMUNHCYPNC-MNOVXSKESA-N -1 3 246.310 2.653 20 30 BFEDHM C=C(C)CO[N-]C(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1 ZINC000846533948 588270646 /nfs/dbraw/zinc/27/06/46/588270646.db2.gz PVMMKXYATWGDGH-MRVWCRGKSA-N -1 3 245.322 2.660 20 30 BFEDHM C=C(C)CO[N-]C(=O)C1(CC)CCCC1 ZINC000846536449 588271660 /nfs/dbraw/zinc/27/16/60/588271660.db2.gz LQORDWSDZXNITL-UHFFFAOYSA-N -1 3 211.305 2.581 20 30 BFEDHM C=C(C)CO[N-]C(=O)CCCC1CCCC1 ZINC000846537834 588272186 /nfs/dbraw/zinc/27/21/86/588272186.db2.gz PRDMICBNSIKLPE-UHFFFAOYSA-N -1 3 225.332 2.971 20 30 BFEDHM C=C(C)CO[N-]C(=O)Cc1ccc(Cl)cc1 ZINC000846540673 588272751 /nfs/dbraw/zinc/27/27/51/588272751.db2.gz GMDLXBYKVQSBFP-UHFFFAOYSA-N -1 3 239.702 2.506 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)c1ccccc1 ZINC000846541221 588273006 /nfs/dbraw/zinc/27/30/06/588273006.db2.gz FCWFXFRMFPKJLA-VXGBXAGGSA-N -1 3 233.311 2.803 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](C)c1ccccc1 ZINC000846541220 588273058 /nfs/dbraw/zinc/27/30/58/588273058.db2.gz FCWFXFRMFPKJLA-RYUDHWBXSA-N -1 3 233.311 2.803 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)C[C@H]1CCc2ccccc21 ZINC000846544370 588273467 /nfs/dbraw/zinc/27/34/67/588273467.db2.gz GKWNMXWRTNUQHX-WCQYABFASA-N -1 3 245.322 2.729 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccc(C)cc1 ZINC000846543969 588273477 /nfs/dbraw/zinc/27/34/77/588273477.db2.gz TVLBBFNXUVHUGO-LBPRGKRZSA-N -1 3 233.311 2.550 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)C1(CCC)CCC1 ZINC000846546126 588274130 /nfs/dbraw/zinc/27/41/30/588274130.db2.gz LOSZJJCOMKHANT-JTQLQIEISA-N -1 3 211.305 2.579 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)CCc1cc(C)cc(C)c1 ZINC000846547645 588274626 /nfs/dbraw/zinc/27/46/26/588274626.db2.gz LJYRQOJDGFCSQZ-CYBMUJFWSA-N -1 3 247.338 2.858 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)/C(C)=C\C(C)(C)C ZINC000846551157 588275715 /nfs/dbraw/zinc/27/57/15/588275715.db2.gz XGPRXLIWZOVQCB-HSTULFTRSA-N -1 3 211.305 2.601 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)C1(C2CCC2)CCC1 ZINC000846555755 588277169 /nfs/dbraw/zinc/27/71/69/588277169.db2.gz YPIQRMSPBFOTRV-JTQLQIEISA-N -1 3 223.316 2.579 20 30 BFEDHM CCOc1ccc(/C=N\[C@@H]2C=CCC2)c([O-])c1 ZINC000849170187 588459472 /nfs/dbraw/zinc/45/94/72/588459472.db2.gz MLTIMYGSQMICBD-DYTQJMLRSA-N -1 3 231.295 2.928 20 30 BFEDHM C[C@@]1(C/N=C/c2ccccc2[O-])CC1(F)F ZINC000849172753 588459663 /nfs/dbraw/zinc/45/96/63/588459663.db2.gz ZFOLSIYMZJPVLE-DMSFABOWSA-N -1 3 225.238 2.856 20 30 BFEDHM CC(C)(F)CC/N=C/c1ccccc1[O-] ZINC000849172081 588459916 /nfs/dbraw/zinc/45/99/16/588459916.db2.gz LTFQRYYIEBZUGL-NTEUORMPSA-N -1 3 209.264 2.949 20 30 BFEDHM N#CCN(Cc1ccco1)Cc1ccccc1[O-] ZINC000109761263 588592009 /nfs/dbraw/zinc/59/20/09/588592009.db2.gz GOWMBNMECVLFFA-UHFFFAOYSA-N -1 3 242.278 2.511 20 30 BFEDHM C=C(C)[C@H](C)OC(=O)c1c(Cl)[n-]nc1CC ZINC000860652688 589112427 /nfs/dbraw/zinc/11/24/27/589112427.db2.gz BPHICFQAAWIGKH-ZETCQYMHSA-N -1 3 242.706 2.747 20 30 BFEDHM C=C(C)[C@H](C)OC(=O)c1c(Cl)n[n-]c1CC ZINC000860652688 589112428 /nfs/dbraw/zinc/11/24/28/589112428.db2.gz BPHICFQAAWIGKH-ZETCQYMHSA-N -1 3 242.706 2.747 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC000862132990 589192773 /nfs/dbraw/zinc/19/27/73/589192773.db2.gz QHCKTJSYDAIHJP-FPMFFAJLSA-N -1 3 245.322 2.721 20 30 BFEDHM [O-]c1ccccc1/C=N/[C@@H]1CCCn2nccc21 ZINC000864348871 589354613 /nfs/dbraw/zinc/35/46/13/589354613.db2.gz QXRMGPMYZAHCIY-JXCQQFQQSA-N -1 3 241.294 2.543 20 30 BFEDHM CS[C@H]1C[C@H](/N=C\c2ccccc2[O-])C1 ZINC000864347805 589354772 /nfs/dbraw/zinc/35/47/72/589354772.db2.gz XORAYQGSFPLVHW-MMZBNDTGSA-N -1 3 221.325 2.705 20 30 BFEDHM C=C[C@@H](C)OC(=O)c1c(Cl)[n-]nc1C1CC1 ZINC000870301347 589656693 /nfs/dbraw/zinc/65/66/93/589656693.db2.gz GTHXPCSADZRBIM-ZCFIWIBFSA-N -1 3 240.690 2.672 20 30 BFEDHM C=C[C@@H](C)OC(=O)c1c(Cl)n[n-]c1C1CC1 ZINC000870301347 589656694 /nfs/dbraw/zinc/65/66/94/589656694.db2.gz GTHXPCSADZRBIM-ZCFIWIBFSA-N -1 3 240.690 2.672 20 30 BFEDHM N#Cc1cccc(O[N-]C(=O)CCCC2CC2)c1 ZINC000870690092 589684143 /nfs/dbraw/zinc/68/41/43/589684143.db2.gz JBLRCDMOXQYVSS-UHFFFAOYSA-N -1 3 244.294 2.549 20 30 BFEDHM [O-]c1ccccc1/C=N/C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000871596763 589771465 /nfs/dbraw/zinc/77/14/65/589771465.db2.gz CWFYZQQLGMHLIA-VOKYLMHGSA-N -1 3 245.322 2.769 20 30 BFEDHM [O-]c1ccccc1/C=N\C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000871596764 589771562 /nfs/dbraw/zinc/77/15/62/589771562.db2.gz CWFYZQQLGMHLIA-WUKMHHCPSA-N -1 3 245.322 2.769 20 30 BFEDHM COc1cccc([O-])c1/C=N\[C@@H]1CC12CCC2 ZINC000871597930 589772393 /nfs/dbraw/zinc/77/23/93/589772393.db2.gz BWWRUHLTDUCPBT-MLJKTZRHSA-N -1 3 231.295 2.762 20 30 BFEDHM CCOC1CC2(C[C@H]2/N=C/c2ccccc2[O-])C1 ZINC000871598484 589772500 /nfs/dbraw/zinc/77/25/00/589772500.db2.gz QKZCWABUQWGXJA-WIGVKREOSA-N -1 3 245.322 2.769 20 30 BFEDHM Cc1ccc(C=NOCC(F)(F)F)c([O-])c1 ZINC000872357434 589918240 /nfs/dbraw/zinc/91/82/40/589918240.db2.gz DYLNFOOEHRRFBF-UHFFFAOYSA-N -1 3 233.189 2.613 20 30 BFEDHM CC(=NOCC(F)F)c1cccc([O-])c1F ZINC000872366595 589921158 /nfs/dbraw/zinc/92/11/58/589921158.db2.gz FQLGSPYTSSQNMA-UHFFFAOYSA-N -1 3 233.189 2.537 20 30 BFEDHM CC(=NOCC1CC1)c1cccc([O-])c1F ZINC000872379035 589927238 /nfs/dbraw/zinc/92/72/38/589927238.db2.gz VIJYBOWREADTQT-UHFFFAOYSA-N -1 3 223.247 2.682 20 30 BFEDHM C=C[C@@H](C)ON=C(C)c1cccc([O-])c1F ZINC000872386787 589929951 /nfs/dbraw/zinc/92/99/51/589929951.db2.gz CCDMLQFTURVCRR-MRVPVSSYSA-N -1 3 223.247 2.846 20 30 BFEDHM CCN(Cc1c(C)cccc1[O-])C[C@H](C)C#N ZINC000876617271 590222335 /nfs/dbraw/zinc/22/23/35/590222335.db2.gz IZZCYVCYWWKXQY-LLVKDONJSA-N -1 3 232.327 2.682 20 30 BFEDHM C=CCO[N-]C(=O)CC(C)(C)CC(F)(F)F ZINC000880229260 590961168 /nfs/dbraw/zinc/96/11/68/590961168.db2.gz UFKBVYHQMQHBSE-UHFFFAOYSA-N -1 3 239.237 2.589 20 30 BFEDHM C=C(C)CO[N-]C(=O)[C@]1(C)CCC[C@H]1CC ZINC000880548344 591088200 /nfs/dbraw/zinc/08/82/00/591088200.db2.gz QDJQZQATUAAYJL-DGCLKSJQSA-N -1 3 225.332 2.827 20 30 BFEDHM C=CC[C@@H](C)OC(=O)c1ccc([O-])cc1 ZINC000883939449 591777698 /nfs/dbraw/zinc/77/76/98/591777698.db2.gz OQTTWIWPOIGJPJ-SECBINFHSA-N -1 3 206.241 2.514 20 30 BFEDHM C=CC[C@H](C)OC(=O)c1cc([O-])ccc1F ZINC000884532095 591969873 /nfs/dbraw/zinc/96/98/73/591969873.db2.gz BORAVBARISQUIW-QMMMGPOBSA-N -1 3 224.231 2.653 20 30 BFEDHM C=C(C)CSc1ccccc1-c1nnn[n-]1 ZINC000819722167 599343552 /nfs/dbraw/zinc/34/35/52/599343552.db2.gz AIBKEBCPXOUHEY-UHFFFAOYSA-N -1 3 232.312 2.535 20 30 BFEDHM C=C(C)CSc1ccccc1-c1nn[n-]n1 ZINC000819722167 599343554 /nfs/dbraw/zinc/34/35/54/599343554.db2.gz AIBKEBCPXOUHEY-UHFFFAOYSA-N -1 3 232.312 2.535 20 30 BFEDHM CCOCCC/N=C\c1cc(Cl)ccc1[O-] ZINC000255398036 631487464 /nfs/dbraw/zinc/48/74/64/631487464.db2.gz LZRBEBMTOLWOGJ-ZROIWOOFSA-N -1 3 241.718 2.891 20 30 BFEDHM C=C[C@@H](C)ON=C(C)c1ccc(F)c([O-])c1 ZINC000901261372 637238651 /nfs/dbraw/zinc/23/86/51/637238651.db2.gz FYQGIIRXHPBQJY-MRVPVSSYSA-N -1 3 223.247 2.846 20 30 BFEDHM CCCCN([O-])C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC000904215861 637391962 /nfs/dbraw/zinc/39/19/62/637391962.db2.gz NMVYGDBNXXEINQ-NSHDSACASA-N -1 3 243.347 2.600 20 30 BFEDHM CCCCN([O-])C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC000904216016 637393628 /nfs/dbraw/zinc/39/36/28/637393628.db2.gz UYJUVOFTQYTVLZ-NSHDSACASA-N -1 3 243.347 2.600 20 30 BFEDHM C#CCCCCCCOC(=O)c1cncc([O-])c1 ZINC000909004485 639119321 /nfs/dbraw/zinc/11/93/21/639119321.db2.gz VTVNBAPAKSGPIL-UHFFFAOYSA-N -1 3 247.294 2.528 20 30 BFEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1CCCOC1 ZINC000171648071 640998857 /nfs/dbraw/zinc/99/88/57/640998857.db2.gz PULLSKHVLHSQCV-NGPAHMQLSA-N -1 3 239.702 2.644 20 30 BFEDHM C=C[C@@H](CC)CC(=O)[N-]OCCC(F)(F)F ZINC000935502792 641421218 /nfs/dbraw/zinc/42/12/18/641421218.db2.gz ZHXIAXOKUVYOTK-QMMMGPOBSA-N -1 3 239.237 2.589 20 30 BFEDHM CC(C)CNN=Cc1cc(Cl)ccc1[O-] ZINC000916365176 641931554 /nfs/dbraw/zinc/93/15/54/641931554.db2.gz KXTVMOHYZHWZKC-UHFFFAOYSA-N -1 3 226.707 2.625 20 30 BFEDHM CC(=NOC1CCC1)c1ccc([O-])cc1F ZINC000812236864 643238666 /nfs/dbraw/zinc/23/86/66/643238666.db2.gz XQAACQHKNZYALW-UHFFFAOYSA-N -1 3 223.247 2.824 20 30 BFEDHM C[C@@H](NCC1(C#N)CCC1)c1cc([O-])cc(F)c1 ZINC000926626579 645320217 /nfs/dbraw/zinc/32/02/17/645320217.db2.gz KIVKKEZJXZIIPU-SNVBAGLBSA-N -1 3 248.301 2.876 20 30 BFEDHM CCCCCCCC(=O)[N-]OC(C)C ZINC000382058961 710769939 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228.226 2.659 20 30 BFEDHM N#Cc1cc(C#N)cc(-c2cccc([O-])c2)c1 ZINC001240925842 981993909 /nfs/dbraw/zinc/99/39/09/981993909.db2.gz JHNVJFUOPCRZNN-UHFFFAOYSA-N -1 3 220.231 2.803 20 30 BFEDHM Cc1nc(-c2cc([O-])cc(F)c2)ccc1CC#N ZINC001241261207 982397837 /nfs/dbraw/zinc/39/78/37/982397837.db2.gz HBBWLOWEJPXRGV-UHFFFAOYSA-N -1 3 242.253 2.968 20 30 BFEDHM Cc1cccc(C#N)c1Nc1cncc([O-])c1 ZINC001201641854 983395527 /nfs/dbraw/zinc/39/55/27/983395527.db2.gz TXTVYVUYMPHXJZ-UHFFFAOYSA-N -1 3 225.251 2.711 20 30 BFEDHM N#CCc1cc(-c2cccc(F)c2[O-])ccn1 ZINC001242352359 983630794 /nfs/dbraw/zinc/63/07/94/983630794.db2.gz UEQSCQOBFBYCFA-UHFFFAOYSA-N -1 3 228.226 2.659 20 30 BFEDHM CN(C)c1cncc(-c2ccccc2C=N[O-])c1 ZINC001242529676 983852275 /nfs/dbraw/zinc/85/22/75/983852275.db2.gz WRDYZNPNAONKDH-UHFFFAOYSA-N -1 3 241.294 2.623 20 30 BFEDHM Cc1oncc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001242602436 983951284 /nfs/dbraw/zinc/95/12/84/983951284.db2.gz IIFUDDHUKWMCIE-SQFISAMPSA-N -1 3 228.251 2.775 20 30 BFEDHM 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398259846 /nfs/dbraw/zinc/25/98/46/398259846.db2.gz FHHYCEXMLAAFFQ-UHFFFAOYSA-N -1 3 234.299 2.636 20 30 BFEDHM C#CCCCCC(=O)Nc1ccccc1[O-] ZINC000179803160 187228261 /nfs/dbraw/zinc/22/82/61/187228261.db2.gz LSELOVZHSOZSKL-UHFFFAOYSA-N -1 3 217.268 2.524 20 30 BFEDHM COCCC(C)(C)C/N=C/c1ccccc1[O-] ZINC000183621495 347131613 /nfs/dbraw/zinc/13/16/13/347131613.db2.gz RMLXCNTUAPIFAU-XNTDXEJSSA-N -1 3 235.327 2.874 20 30 BFEDHM N#CCCN(Cc1cc([O-])cc(F)c1)CC1CC1 ZINC000186214590 347228520 /nfs/dbraw/zinc/22/85/20/347228520.db2.gz YBAYFMIJIGGNRU-UHFFFAOYSA-N -1 3 248.301 2.657 20 30 BFEDHM N#CCCCCC(=O)Nc1ccc([O-])cc1F ZINC000594338310 348035976 /nfs/dbraw/zinc/03/59/76/348035976.db2.gz XZPJRQKZGIAIMH-UHFFFAOYSA-N -1 3 236.246 2.554 20 30 BFEDHM CC[C@@H](C#N)C(=O)Nc1c([O-])cccc1Cl ZINC000594367347 348043251 /nfs/dbraw/zinc/04/32/51/348043251.db2.gz LBWKFNOLSHNCQZ-ZETCQYMHSA-N -1 3 238.674 2.534 20 30 BFEDHM C=CCCOCc1nc(-c2ccc([O-])cc2)no1 ZINC000598527357 348983611 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/nfs/dbraw/zinc/04/10/94/588041094.db2.gz WYYSKCHTFFOZNV-UHFFFAOYSA-N -1 3 244.338 2.875 20 30 BFEDHM CCCON=Cc1cc(Cl)c([O-])c(OC)c1 ZINC000842566225 588042952 /nfs/dbraw/zinc/04/29/52/588042952.db2.gz XPWQFURPNYUKAN-UHFFFAOYSA-N -1 3 243.690 2.815 20 30 BFEDHM C[C@@H]1CCC[C@@H]1/N=C/c1ccccc1[O-] ZINC000105356657 588142926 /nfs/dbraw/zinc/14/29/26/588142926.db2.gz HXRMSQFUIYIQOJ-AUNFNBNVSA-N -1 3 203.285 3.000 20 30 BFEDHM C=CCO[N-]C(=O)C[C@H](C)CCC=C(C)C ZINC000843901783 588149081 /nfs/dbraw/zinc/14/90/81/588149081.db2.gz OMXKKWOISZWTGZ-GFCCVEGCSA-N -1 3 225.332 2.993 20 30 BFEDHM C=CCO[N-]C(=O)C[C@@H](C)CCC=C(C)C ZINC000843901784 588149235 /nfs/dbraw/zinc/14/92/35/588149235.db2.gz OMXKKWOISZWTGZ-LBPRGKRZSA-N -1 3 225.332 2.993 20 30 BFEDHM C=C[C@H](C)ON=C([O-])Nc1ccccc1C ZINC000844479229 588198773 /nfs/dbraw/zinc/19/87/73/588198773.db2.gz JEFQFMJYZQVYNB-JTQLQIEISA-N -1 3 220.272 2.623 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccccc1C ZINC000844479229 588198774 /nfs/dbraw/zinc/19/87/74/588198774.db2.gz JEFQFMJYZQVYNB-JTQLQIEISA-N -1 3 220.272 2.623 20 30 BFEDHM C=C[C@@H](C)ON=C([O-])Nc1ccc(C)c(F)c1 ZINC000844481655 588198841 /nfs/dbraw/zinc/19/88/41/588198841.db2.gz GUPCHNBMORUSAX-SECBINFHSA-N -1 3 238.262 2.762 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ccc(C)c(F)c1 ZINC000844481655 588198842 /nfs/dbraw/zinc/19/88/42/588198842.db2.gz GUPCHNBMORUSAX-SECBINFHSA-N -1 3 238.262 2.762 20 30 BFEDHM C=C[C@H](C)ON=C([O-])Nc1ccc(C)cc1F ZINC000844482132 588199046 /nfs/dbraw/zinc/19/90/46/588199046.db2.gz LCCGFLZSNVNTCJ-VIFPVBQESA-N -1 3 238.262 2.762 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccc(C)cc1F ZINC000844482132 588199047 /nfs/dbraw/zinc/19/90/47/588199047.db2.gz LCCGFLZSNVNTCJ-VIFPVBQESA-N -1 3 238.262 2.762 20 30 BFEDHM C=C(C)CON=C([O-])Nc1ccc(CC)cc1 ZINC000844483609 588199066 /nfs/dbraw/zinc/19/90/66/588199066.db2.gz UKCPTYRRXBXOHV-UHFFFAOYSA-N -1 3 234.299 2.878 20 30 BFEDHM C=C(C)CO[N-]C(=O)Nc1ccc(CC)cc1 ZINC000844483609 588199067 /nfs/dbraw/zinc/19/90/67/588199067.db2.gz UKCPTYRRXBXOHV-UHFFFAOYSA-N -1 3 234.299 2.878 20 30 BFEDHM C=C(C)CON=C([O-])Nc1cc(C)cc(C)c1 ZINC000844482660 588199086 /nfs/dbraw/zinc/19/90/86/588199086.db2.gz MSYNSWZBAXGYMI-UHFFFAOYSA-N -1 3 234.299 2.933 20 30 BFEDHM C=C(C)CO[N-]C(=O)Nc1cc(C)cc(C)c1 ZINC000844482660 588199087 /nfs/dbraw/zinc/19/90/87/588199087.db2.gz MSYNSWZBAXGYMI-UHFFFAOYSA-N -1 3 234.299 2.933 20 30 BFEDHM C=C(C)CON=C([O-])Nc1ccccc1CC ZINC000844487526 588199507 /nfs/dbraw/zinc/19/95/07/588199507.db2.gz GOMXYKOONRLNIK-UHFFFAOYSA-N -1 3 234.299 2.878 20 30 BFEDHM C=C(C)CO[N-]C(=O)Nc1ccccc1CC ZINC000844487526 588199508 /nfs/dbraw/zinc/19/95/08/588199508.db2.gz GOMXYKOONRLNIK-UHFFFAOYSA-N -1 3 234.299 2.878 20 30 BFEDHM C=C(C)CON=C([O-])Nc1cccc(F)c1C ZINC000844549479 588201754 /nfs/dbraw/zinc/20/17/54/588201754.db2.gz FDFSNJUVXQQRIL-UHFFFAOYSA-N -1 3 238.262 2.763 20 30 BFEDHM C=C(C)CO[N-]C(=O)Nc1cccc(F)c1C ZINC000844549479 588201755 /nfs/dbraw/zinc/20/17/55/588201755.db2.gz FDFSNJUVXQQRIL-UHFFFAOYSA-N -1 3 238.262 2.763 20 30 BFEDHM C=C(C)CO[N-]C(=O)Nc1cc(C)cc(F)c1 ZINC000844566634 588203296 /nfs/dbraw/zinc/20/32/96/588203296.db2.gz HNDDTJUCFNMGQN-UHFFFAOYSA-N -1 3 238.262 2.763 20 30 BFEDHM C=C(C)CON=C([O-])Nc1cc(C)cc(F)c1 ZINC000844566634 588203295 /nfs/dbraw/zinc/20/32/95/588203295.db2.gz HNDDTJUCFNMGQN-UHFFFAOYSA-N -1 3 238.262 2.763 20 30 BFEDHM CCC(CC)NN=Cc1ccc([O-])cc1F ZINC000844583765 588204685 /nfs/dbraw/zinc/20/46/85/588204685.db2.gz HJORWKIUSYDHCL-UHFFFAOYSA-N -1 3 224.279 2.643 20 30 BFEDHM C=C(C)CON=Cc1ccc(OCC)cc1[O-] ZINC000844614634 588207850 /nfs/dbraw/zinc/20/78/50/588207850.db2.gz HHRCSPZYNLQEEV-UHFFFAOYSA-N -1 3 235.283 2.718 20 30 BFEDHM C=C(C)CON=C([O-])N1c2ccccc2C[C@H]1C ZINC000845589204 588234372 /nfs/dbraw/zinc/23/43/72/588234372.db2.gz CEYWXUDKRSHITJ-LLVKDONJSA-N -1 3 246.310 2.655 20 30 BFEDHM C=C(C)CO[N-]C(=O)N1c2ccccc2C[C@H]1C ZINC000845589204 588234373 /nfs/dbraw/zinc/23/43/73/588234373.db2.gz CEYWXUDKRSHITJ-LLVKDONJSA-N -1 3 246.310 2.655 20 30 BFEDHM C=C(C)CC[C@H](C)OC(=O)c1ccc(C#N)[n-]1 ZINC000845869462 588249268 /nfs/dbraw/zinc/24/92/68/588249268.db2.gz YNFMJFMCPYVTCF-JTQLQIEISA-N -1 3 232.283 2.788 20 30 BFEDHM C=C(C)CO[N-]C(=O)[C@H](CC)CC(F)(F)F ZINC000846533600 588270465 /nfs/dbraw/zinc/27/04/65/588270465.db2.gz BQWVBWHUPGGGNB-MRVPVSSYSA-N -1 3 239.237 2.589 20 30 BFEDHM C=C(C)CO[N-]C(=O)C1=CCC(C)(C)CC1 ZINC000846534620 588270865 /nfs/dbraw/zinc/27/08/65/588270865.db2.gz UOIVAULKOJIURL-UHFFFAOYSA-N -1 3 223.316 2.747 20 30 BFEDHM C=C(C)CO[N-]C(=O)Cc1c(C)cc(C)cc1C ZINC000846535498 588271219 /nfs/dbraw/zinc/27/12/19/588271219.db2.gz BVTJEVICNRPCSB-UHFFFAOYSA-N -1 3 247.338 2.778 20 30 BFEDHM C=C(C)CO[N-]C(=O)CCCSC(C)(C)C ZINC000846535776 588271392 /nfs/dbraw/zinc/27/13/92/588271392.db2.gz BJYPDSJNGBCVEK-UHFFFAOYSA-N -1 3 245.388 2.922 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC000846542934 588273162 /nfs/dbraw/zinc/27/31/62/588273162.db2.gz JJDONCGSQMYLBE-QJPTWQEYSA-N -1 3 237.343 2.847 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000846542822 588273289 /nfs/dbraw/zinc/27/32/89/588273289.db2.gz CUMANAZTNALTOV-ZWKOPEQDSA-N -1 3 249.285 2.552 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ccc(CC)cc1 ZINC000846544867 588273595 /nfs/dbraw/zinc/27/35/95/588273595.db2.gz ZKTSCVUYPOXYMV-GFCCVEGCSA-N -1 3 247.338 2.804 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)C(C)(C)CC(C)C ZINC000846545254 588273947 /nfs/dbraw/zinc/27/39/47/588273947.db2.gz FSWZGBLVNFTMNS-SNVBAGLBSA-N -1 3 213.321 2.681 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)C(C)(C)Cc1ccccc1 ZINC000846545737 588274024 /nfs/dbraw/zinc/27/40/24/588274024.db2.gz PVJRWGXTADOEQJ-LBPRGKRZSA-N -1 3 247.338 2.878 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)CC1(C)CCCCC1 ZINC000846546570 588274112 /nfs/dbraw/zinc/27/41/12/588274112.db2.gz CZPPRENSMMCRSU-LLVKDONJSA-N -1 3 225.332 2.969 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](C)CC(C)C ZINC000846548124 588274862 /nfs/dbraw/zinc/27/48/62/588274862.db2.gz DDYBDIYMXPWVCX-MNOVXSKESA-N -1 3 213.321 2.681 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)C(C)(C)C(C)(C)C ZINC000846552412 588275928 /nfs/dbraw/zinc/27/59/28/588275928.db2.gz HDEHFAJIIJZCAH-VIFPVBQESA-N -1 3 213.321 2.681 20 30 BFEDHM C=CCO[N-]C(=O)CCC1CCCCCC1 ZINC000848200122 588365601 /nfs/dbraw/zinc/36/56/01/588365601.db2.gz GWQMKPXEXKWWKO-UHFFFAOYSA-N -1 3 225.332 2.971 20 30 BFEDHM CCc1cccc(C=NO[C@H]2CCCCO2)c1[O-] ZINC000848407453 588378550 /nfs/dbraw/zinc/37/85/50/588378550.db2.gz PSJVWRPLENOVCQ-ZDUSSCGKSA-N -1 3 249.310 2.832 20 30 BFEDHM COc1cccc([O-])c1/C=N\[C@@H]1C=CCC1 ZINC000849170359 588459370 /nfs/dbraw/zinc/45/93/70/588459370.db2.gz ONDIZIDCLKQFHK-AHEVQNHNSA-N -1 3 217.268 2.538 20 30 BFEDHM COc1cccc([O-])c1/C=N/[C@@H]1C=CCC1 ZINC000849170360 588459565 /nfs/dbraw/zinc/45/95/65/588459565.db2.gz ONDIZIDCLKQFHK-GMROUXNLSA-N -1 3 217.268 2.538 20 30 BFEDHM CC(C)(C)[C@H]1C[C@H]1COC(=O)c1ccc(C#N)[n-]1 ZINC000861114260 589147206 /nfs/dbraw/zinc/14/72/06/589147206.db2.gz HGHTZSHUHIZMMQ-ONGXEEELSA-N -1 3 246.310 2.725 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)CCCCCCSC ZINC000862132802 589192375 /nfs/dbraw/zinc/19/23/75/589192375.db2.gz NDARBWRULYOFLZ-LLVKDONJSA-N -1 3 245.388 2.922 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)CCCCCCSC ZINC000862132803 589192584 /nfs/dbraw/zinc/19/25/84/589192584.db2.gz NDARBWRULYOFLZ-NSHDSACASA-N -1 3 245.388 2.922 20 30 BFEDHM C=C(C)CO[N-]C(=O)CC1CCC(F)(F)CC1 ZINC000862132556 589192619 /nfs/dbraw/zinc/19/26/19/589192619.db2.gz IOQVIJPQJDYMTQ-UHFFFAOYSA-N -1 3 247.285 2.826 20 30 BFEDHM C=CC(C)(C)CCNC(=O)c1cc([O-])cs1 ZINC000862394166 589208514 /nfs/dbraw/zinc/20/85/14/589208514.db2.gz CSUWUPSLUCLPPT-UHFFFAOYSA-N -1 3 239.340 2.786 20 30 BFEDHM [O-]c1ccccc1/C=N/[C@@H]1C[C@H]1C(F)(F)F ZINC000864347164 589354537 /nfs/dbraw/zinc/35/45/37/589354537.db2.gz LJXJEOWDVPWJBC-CACBJEKCSA-N -1 3 229.201 2.762 20 30 BFEDHM COc1cccc([O-])c1/C=N\CC(C)(C)F ZINC000864346527 589354723 /nfs/dbraw/zinc/35/47/23/589354723.db2.gz BBNQJQWYUWDYPH-AUWJEWJLSA-N -1 3 225.263 2.568 20 30 BFEDHM C=C[C@H](C)OC(=O)c1c(Cl)[n-]nc1C1CC1 ZINC000870301192 589656905 /nfs/dbraw/zinc/65/69/05/589656905.db2.gz GTHXPCSADZRBIM-LURJTMIESA-N -1 3 240.690 2.672 20 30 BFEDHM C=C[C@H](C)OC(=O)c1c(Cl)n[n-]c1C1CC1 ZINC000870301192 589656906 /nfs/dbraw/zinc/65/69/06/589656906.db2.gz GTHXPCSADZRBIM-LURJTMIESA-N -1 3 240.690 2.672 20 30 BFEDHM C=CCCCC(=O)[N-]OCCCC(F)(F)F ZINC000871212960 589746261 /nfs/dbraw/zinc/74/62/61/589746261.db2.gz GZNPWYZEWHLPNZ-UHFFFAOYSA-N -1 3 239.237 2.733 20 30 BFEDHM COCC(C)(C)CC/N=C\c1ccccc1[O-] ZINC000871597730 589771084 /nfs/dbraw/zinc/77/10/84/589771084.db2.gz VGDYPOJPKKAOMF-GDNBJRDFSA-N -1 3 235.327 2.874 20 30 BFEDHM COc1cccc([O-])c1/C=N\[C@H]1CC12CCC2 ZINC000871597928 589772699 /nfs/dbraw/zinc/77/26/99/589772699.db2.gz BWWRUHLTDUCPBT-GRRFOWRYSA-N -1 3 231.295 2.762 20 30 BFEDHM C=C[C@@H](C)N[C@H](C)c1cccc([O-])c1F ZINC000872041405 589858926 /nfs/dbraw/zinc/85/89/26/589858926.db2.gz HTQPXWOQVWIXOM-RKDXNWHRSA-N -1 3 209.264 2.756 20 30 BFEDHM COc1cc(C=NOC(C)C)c(Cl)cc1[O-] ZINC000872381038 589927907 /nfs/dbraw/zinc/92/79/07/589927907.db2.gz VNQVVMSASRVUBE-UHFFFAOYSA-N -1 3 243.690 2.813 20 30 BFEDHM CC(=NOC(C)C)c1cc([O-])ccc1F ZINC000872380487 589928104 /nfs/dbraw/zinc/92/81/04/589928104.db2.gz JPHZHRWCQIRPRR-UHFFFAOYSA-N -1 3 211.236 2.680 20 30 BFEDHM CC(C)c1coc([N-]C(=O)c2ccc(C#N)o2)n1 ZINC000875986306 590181548 /nfs/dbraw/zinc/18/15/48/590181548.db2.gz PONFQIICJMWBFB-UHFFFAOYSA-N -1 3 245.238 2.515 20 30 BFEDHM CCN(Cc1ccc(C)cc1[O-])C[C@@H](C)C#N ZINC000876617130 590222466 /nfs/dbraw/zinc/22/24/66/590222466.db2.gz GAPRQQYKLMORRN-LBPRGKRZSA-N -1 3 232.327 2.682 20 30 BFEDHM CCO[N-]C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000881122937 591164353 /nfs/dbraw/zinc/16/43/53/591164353.db2.gz NSSAMVJMDUAMGL-UHFFFAOYSA-N -1 3 245.282 2.509 20 30 BFEDHM C=C(Cl)CN[C@@H](C)c1c([O-])cccc1F ZINC000886547172 592257405 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584846783 /nfs/dbraw/zinc/84/67/83/584846783.db2.gz IDJQMJLGFNCMJN-VXGBXAGGSA-N -1 3 243.347 2.600 20 30 BFEDHM CCCCCCN([O-])C(=O)[C@@]1(C)CC1(F)F ZINC000904207122 584846790 /nfs/dbraw/zinc/84/67/90/584846790.db2.gz RBBAQNOVSCGQTR-SNVBAGLBSA-N -1 3 235.274 2.830 20 30 BFEDHM CCCCN([O-])C(=O)c1ccc(C)s1 ZINC000904207842 584847431 /nfs/dbraw/zinc/84/74/31/584847431.db2.gz DXMCUCSPZPOYMY-UHFFFAOYSA-N -1 3 213.302 2.688 20 30 BFEDHM CCCCN([O-])C(=O)[C@H](C)c1ccc(C)o1 ZINC000904210231 584847558 /nfs/dbraw/zinc/84/75/58/584847558.db2.gz IUSIWXVDGBSDHN-SNVBAGLBSA-N -1 3 225.288 2.709 20 30 BFEDHM CCCCN([O-])C(=O)[C@@H](SCC)C(C)C ZINC000904210021 584847719 /nfs/dbraw/zinc/84/77/19/584847719.db2.gz DMKMVHVIAANMRS-JTQLQIEISA-N -1 3 233.377 2.782 20 30 BFEDHM CCCCN([O-])C(=O)c1cccc2cnccc21 ZINC000904210368 584847904 /nfs/dbraw/zinc/84/79/04/584847904.db2.gz MZDWXDGAYPYEOS-UHFFFAOYSA-N -1 3 244.294 2.866 20 30 BFEDHM CCCCCCN([O-])C(=O)C[C@H](C)SC ZINC000904204726 584852127 /nfs/dbraw/zinc/85/21/27/584852127.db2.gz SEUPFESGWFQPBT-JTQLQIEISA-N -1 3 233.377 2.926 20 30 BFEDHM CCCCN([O-])C(=O)[C@@H]1CCO[C@@H](CCC)C1 ZINC000904211801 584854266 /nfs/dbraw/zinc/85/42/66/584854266.db2.gz DRVAABVTCRDNPM-NEPJUHHUSA-N -1 3 243.347 2.600 20 30 BFEDHM CCCCN([O-])C(=O)C[C@H]1CCC[C@@H](OC)C1 ZINC000904213465 584855498 /nfs/dbraw/zinc/85/54/98/584855498.db2.gz QHYXXIVJRVYVEW-NWDGAFQWSA-N -1 3 243.347 2.600 20 30 BFEDHM CCCCN([O-])C(=O)c1nc(C(C)C)oc1C ZINC000904213627 584855525 /nfs/dbraw/zinc/85/55/25/584855525.db2.gz VHKAEAMKFZCBOT-UHFFFAOYSA-N -1 3 240.303 2.738 20 30 BFEDHM CCCCN([O-])C(=O)c1nc(Cl)sc1C ZINC000904213756 584855642 /nfs/dbraw/zinc/85/56/42/584855642.db2.gz ZTOVNKCVZKHCRX-UHFFFAOYSA-N -1 3 248.735 2.736 20 30 BFEDHM CCCCN([O-])C(=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC000904214794 584856176 /nfs/dbraw/zinc/85/61/76/584856176.db2.gz NGFDFTMHIYQYLM-QWHCGFSZSA-N -1 3 249.310 2.514 20 30 BFEDHM CCCCN([O-])C(=O)CC1(C#N)CCCCC1 ZINC000904214922 584856305 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/nfs/dbraw/zinc/30/60/55/585306055.db2.gz CZAWYFXFZRGHDD-VIFPVBQESA-N -1 3 244.298 2.779 20 30 BFEDHM CCC(=NOCC(F)F)c1ccc([O-])cc1 ZINC000758902109 585362208 /nfs/dbraw/zinc/36/22/08/585362208.db2.gz CHURKAMCZXEESF-UHFFFAOYSA-N -1 3 229.226 2.788 20 30 BFEDHM C#CCN(Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000764677814 585470685 /nfs/dbraw/zinc/47/06/85/585470685.db2.gz ULVLTTFGKOBGQB-UHFFFAOYSA-N -1 3 235.714 2.643 20 30 BFEDHM CC(=NO[C@H]1CCCCO1)c1sccc1[O-] ZINC000769798385 585563756 /nfs/dbraw/zinc/56/37/56/585563756.db2.gz ATPFMCDZZZMWAU-JTQLQIEISA-N -1 3 241.312 2.721 20 30 BFEDHM CO[C@@H]1CCC[C@H]1C/N=C/c1ccccc1[O-] ZINC000774542830 585660771 /nfs/dbraw/zinc/66/07/71/585660771.db2.gz PLXYMIGWRFWPNN-LJDHDPBFSA-N -1 3 233.311 2.626 20 30 BFEDHM CO[C@@H]1[C@H](C)[C@H](/N=C/c2ccccc2[O-])C1(C)C ZINC000775632137 585682141 /nfs/dbraw/zinc/68/21/41/585682141.db2.gz WEAHTIKBTNPTDP-QTAWBILPSA-N -1 3 247.338 2.871 20 30 BFEDHM CCC[C@@H](C)[C@H](C)OC(=O)c1ccc(C#N)[n-]1 ZINC000778745505 585740251 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/nfs/dbraw/zinc/04/73/68/586047368.db2.gz NHFWBHTWWINASN-JTQLQIEISA-N -1 3 246.310 2.713 20 30 BFEDHM C#CCCCCCC(=O)[N-]OC[C@@H](C)CC ZINC000794866649 586052658 /nfs/dbraw/zinc/05/26/58/586052658.db2.gz SVSXTVHKLCNAIC-LBPRGKRZSA-N -1 3 225.332 2.664 20 30 BFEDHM CC1(C)CC[C@@H]1/N=C/c1ccccc1[O-] ZINC000804599439 586402229 /nfs/dbraw/zinc/40/22/29/586402229.db2.gz YUTXHORBDCGHLA-IGVUGNCQSA-N -1 3 203.285 3.000 20 30 BFEDHM COc1cccc([O-])c1/C=N\[C@@H](C)C(F)(F)F ZINC000806551440 586413740 /nfs/dbraw/zinc/41/37/40/586413740.db2.gz LEOGLZPDEAJABW-VQIYEXGWSA-N -1 3 247.216 2.771 20 30 BFEDHM C=C(C)CNN=C(C)c1ccc(C)cc1[O-] ZINC000811649956 586562584 /nfs/dbraw/zinc/56/25/84/586562584.db2.gz DWNORFGGGKDSFV-UHFFFAOYSA-N -1 3 218.300 2.590 20 30 BFEDHM CC(=NOC1CCC1)c1ccc([O-])cc1 ZINC000812235623 586571482 /nfs/dbraw/zinc/57/14/82/586571482.db2.gz LDSWRJHTLJCYJS-UHFFFAOYSA-N -1 3 205.257 2.685 20 30 BFEDHM COc1ccc(C(C)=NOC2CCC2)c([O-])c1 ZINC000812238425 586571975 /nfs/dbraw/zinc/57/19/75/586571975.db2.gz UOFRIAJCDQKNEO-UHFFFAOYSA-N -1 3 235.283 2.694 20 30 BFEDHM CC(=NOCCOC(C)C)c1sccc1[O-] ZINC000812239184 586572325 /nfs/dbraw/zinc/57/23/25/586572325.db2.gz OVJRPYBYASTOMB-UHFFFAOYSA-N -1 3 243.328 2.619 20 30 BFEDHM COc1cccc([O-])c1/C=N/C1CCCC1 ZINC000812389919 586575281 /nfs/dbraw/zinc/57/52/81/586575281.db2.gz RKZJLVWXWFTCKX-NTEUORMPSA-N -1 3 219.284 2.762 20 30 BFEDHM COc1cccc([O-])c1/C=N\CCCCF ZINC000812445327 586577340 /nfs/dbraw/zinc/57/73/40/586577340.db2.gz UXYAVCYYQJUKIC-ZROIWOOFSA-N -1 3 225.263 2.569 20 30 BFEDHM COc1cccc([O-])c1/C=N/CCCCF ZINC000812445326 586577439 /nfs/dbraw/zinc/57/74/39/586577439.db2.gz UXYAVCYYQJUKIC-NTEUORMPSA-N -1 3 225.263 2.569 20 30 BFEDHM CC(=NOCC1CC1)c1ccc([O-])cc1 ZINC000814244909 586619934 /nfs/dbraw/zinc/61/99/34/586619934.db2.gz NTMVNJPQTHZUQF-UHFFFAOYSA-N -1 3 205.257 2.543 20 30 BFEDHM C=CCC(F)(F)C(=O)Nc1ccccc1[O-] ZINC000815079594 586666093 /nfs/dbraw/zinc/66/60/93/586666093.db2.gz 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385375345 /nfs/dbraw/zinc/37/53/45/385375345.db2.gz OQEFSGIFKPXEEN-CNVBLXHPSA-N -1 3 245.322 2.769 20 30 BFEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000182494657 385451821 /nfs/dbraw/zinc/45/18/21/385451821.db2.gz YVYXJNNOJPUBOS-SNVBAGLBSA-N -1 3 249.310 2.572 20 30 BFEDHM CC(C)(C)CN(CCC#N)Cc1ncccc1[O-] ZINC000571602783 385804857 /nfs/dbraw/zinc/80/48/57/385804857.db2.gz XMCZOWAXPLCETE-UHFFFAOYSA-N -1 3 247.342 2.549 20 30 BFEDHM C=CCCCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000519613037 386511143 /nfs/dbraw/zinc/51/11/43/386511143.db2.gz YAAHPYRDCQJYEO-UHFFFAOYSA-N -1 3 247.294 2.890 20 30 BFEDHM C=C(C)[C@H](CC(=O)Nc1ccccc1[O-])OCC ZINC000270295797 387426415 /nfs/dbraw/zinc/42/64/15/387426415.db2.gz BEWYVCGFUQZYQG-ZDUSSCGKSA-N -1 3 249.310 2.702 20 30 BFEDHM C=C(C)CN(CC)C(=O)c1cc(CC)ccc1[O-] ZINC000125688745 388674852 /nfs/dbraw/zinc/67/48/52/388674852.db2.gz MONWKSFPJNKQBW-UHFFFAOYSA-N -1 3 247.338 2.993 20 30 BFEDHM C=C1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263316676 135346419 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/nfs/dbraw/zinc/43/52/38/411435238.db2.gz BTAOXCOXHVDXRP-LBPRGKRZSA-N -1 3 226.279 2.758 20 30 BFEDHM C=CCCNCc1cccc([O-])c1Cl ZINC000328244679 487635175 /nfs/dbraw/zinc/63/51/75/487635175.db2.gz RMIZUJCFZYVXSM-UHFFFAOYSA-N -1 3 211.692 2.711 20 30 BFEDHM CCCCN([O-])C(=O)CCCCCOCC ZINC000904215543 584852857 /nfs/dbraw/zinc/85/28/57/584852857.db2.gz CVSSAPLBXHWZPP-UHFFFAOYSA-N -1 3 231.336 2.601 20 30 BFEDHM C=CCO[N-]C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000529470133 324308396 /nfs/dbraw/zinc/30/83/96/324308396.db2.gz TWGUZBRNIWMRFK-STQMWFEESA-N -1 3 249.285 2.553 20 30 BFEDHM C[C@@H](CC#N)N(C)Cc1cc([O-])cc(Cl)c1 ZINC000891933929 582740746 /nfs/dbraw/zinc/74/07/46/582740746.db2.gz PACYNLCRNYOMCX-VIFPVBQESA-N -1 3 238.718 2.780 20 30 BFEDHM C=C(CC)CSCc1nc(CC)cc(=O)[n-]1 ZINC000358659959 534421377 /nfs/dbraw/zinc/42/13/77/534421377.db2.gz DATVCUOUHWDDFR-UHFFFAOYSA-N -1 3 238.356 2.944 20 30 BFEDHM C=CCC(F)(F)C(=O)[N-]C1(C#N)CCCCC1 ZINC000293429461 534573475 /nfs/dbraw/zinc/57/34/75/534573475.db2.gz NTAKQKGTRUFMQC-UHFFFAOYSA-N -1 3 242.269 2.540 20 30 BFEDHM CC[C@@H]1CCCC(=NN=c2cc[n-]n2C)CC1 ZINC000853335077 588734579 /nfs/dbraw/zinc/73/45/79/588734579.db2.gz ZKDBGBRGTOADAG-LLVKDONJSA-N -1 3 234.347 2.600 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)[C@@]1(C)CC=C(C)CC1 ZINC000855027986 588821284 /nfs/dbraw/zinc/82/12/84/588821284.db2.gz OHMRDKFRALFAQE-AAEUAGOBSA-N -1 3 223.316 2.745 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)C(C)(C)CC(F)(F)F ZINC000855027125 588820923 /nfs/dbraw/zinc/82/09/23/588820923.db2.gz BKOZLXRIRZXDJZ-SSDOTTSWSA-N -1 3 239.237 2.587 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000855027361 588821001 /nfs/dbraw/zinc/82/10/01/588821001.db2.gz GUFWKGRVSGGRQJ-KWCYVHTRSA-N -1 3 245.322 2.721 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000855027360 588821079 /nfs/dbraw/zinc/82/10/79/588821079.db2.gz GUFWKGRVSGGRQJ-FPMFFAJLSA-N -1 3 245.322 2.721 20 30 BFEDHM C#CCCCC(=O)Nc1ccc([O-])cc1Cl ZINC000855137280 588823067 /nfs/dbraw/zinc/82/30/67/588823067.db2.gz NVSYTRLTCJJGKD-UHFFFAOYSA-N -1 3 237.686 2.788 20 30 BFEDHM C=CC[C@@H]1CCN1C(=O)c1ccc(CC)cc1[O-] ZINC000890552264 582472887 /nfs/dbraw/zinc/47/28/87/582472887.db2.gz MCCRRCQFJFKZQU-GFCCVEGCSA-N -1 3 245.322 2.745 20 30 BFEDHM [O-]c1ccccc1/C=N/CCc1cscn1 ZINC000134847095 582510159 /nfs/dbraw/zinc/51/01/59/582510159.db2.gz UJKZHESFZNHQKZ-NTUHNPAUSA-N -1 3 232.308 2.510 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)C[C@H]1CCC[C@H](C)C1 ZINC000846551300 582658745 /nfs/dbraw/zinc/65/87/45/582658745.db2.gz RQETXLBJWDNTAP-SRVKXCTJSA-N -1 3 225.332 2.825 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC000846554143 582660395 /nfs/dbraw/zinc/66/03/95/582660395.db2.gz HNGAVQQCRPOJNG-VXGBXAGGSA-N -1 3 223.316 2.745 20 30 BFEDHM C=CCCO[N-]C(=O)CCCSC(C)(C)C ZINC000856034956 588857688 /nfs/dbraw/zinc/85/76/88/588857688.db2.gz YMJYZPGMAZSXKA-UHFFFAOYSA-N -1 3 245.388 2.922 20 30 BFEDHM C=CCCO[N-]C(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1 ZINC000856034597 588857892 /nfs/dbraw/zinc/85/78/92/588857892.db2.gz IXQCCGCZEFEJLY-MRVWCRGKSA-N -1 3 245.322 2.660 20 30 BFEDHM C=CCCO[N-]C(=O)CCC1CCCC1 ZINC000856027925 588855809 /nfs/dbraw/zinc/85/58/09/588855809.db2.gz GOCRZQBHRWLDLT-UHFFFAOYSA-N -1 3 211.305 2.581 20 30 BFEDHM C=CCCO[N-]C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000856029161 588856052 /nfs/dbraw/zinc/85/60/52/588856052.db2.gz BQXJPTMSVSJWFC-UHFFFAOYSA-N -1 3 249.354 2.827 20 30 BFEDHM C=CCCO[N-]C(=O)C(CC)(CC)CC ZINC000856032136 588856878 /nfs/dbraw/zinc/85/68/78/588856878.db2.gz IBMYIEKKGXMEJX-UHFFFAOYSA-N -1 3 213.321 2.827 20 30 BFEDHM C=CCCO[N-]C(=O)C1(CC)CCCCC1 ZINC000856033583 588857063 /nfs/dbraw/zinc/85/70/63/588857063.db2.gz JFXUAQUILRHHDW-UHFFFAOYSA-N -1 3 225.332 2.971 20 30 BFEDHM C=CCCO[N-]C(=O)CCCc1ccsc1 ZINC000856033969 588857495 /nfs/dbraw/zinc/85/74/95/588857495.db2.gz XZNZLRAZDGVAHT-UHFFFAOYSA-N -1 3 239.340 2.695 20 30 BFEDHM C[C@H](CC(=O)N[O-])c1ccccc1C(F)(F)F ZINC000782173709 582869592 /nfs/dbraw/zinc/86/95/92/582869592.db2.gz ZQZHFFIAFRAETM-SSDOTTSWSA-N -1 3 247.216 2.704 20 30 BFEDHM C[C@@H]1CCCCN1N=C1CCc2cccc([O-])c21 ZINC000853381626 583044669 /nfs/dbraw/zinc/04/46/69/583044669.db2.gz HTYJRCTUPQIWTA-LLVKDONJSA-N -1 3 244.338 2.917 20 30 BFEDHM [O-]c1ccccc1C=NOCCC1CC1 ZINC000814244671 583351107 /nfs/dbraw/zinc/35/11/07/583351107.db2.gz ABSQRBLOBUSJKT-UHFFFAOYSA-N -1 3 205.257 2.543 20 30 BFEDHM N#CC[C@@H]1CCCN(Cc2ccc([O-])c(F)c2)C1 ZINC000895310617 583647175 /nfs/dbraw/zinc/64/71/75/583647175.db2.gz PQCJRHUXCQFRRN-NSHDSACASA-N -1 3 248.301 2.657 20 30 BFEDHM [O-]c1ccc(Cl)cc1C=NNC1CCCC1 ZINC000727651825 583714840 /nfs/dbraw/zinc/71/48/40/583714840.db2.gz BJWQXZNWEJLBME-UHFFFAOYSA-N -1 3 238.718 2.912 20 30 BFEDHM CC(=NNC1CCCC1)c1ccc(C)cc1[O-] ZINC000727651678 583715035 /nfs/dbraw/zinc/71/50/35/583715035.db2.gz LEIJIYQXMNFEML-UHFFFAOYSA-N -1 3 232.327 2.957 20 30 BFEDHM CC[C@H](C)[C@H](C/N=C\c1ccccc1[O-])OC ZINC000840708186 583850789 /nfs/dbraw/zinc/85/07/89/583850789.db2.gz UVNAEVGIAOOXFM-FFOBGPNNSA-N -1 3 235.327 2.872 20 30 BFEDHM CC#CCN(C)Cc1c([O-])cccc1Cl ZINC000897167319 583887393 /nfs/dbraw/zinc/88/73/93/583887393.db2.gz YHQQLUYJMMQQQX-UHFFFAOYSA-N -1 3 223.703 2.501 20 30 BFEDHM Cc1ccc(NN=Cc2nc(C)ccc2[O-])cc1 ZINC000728777893 583908603 /nfs/dbraw/zinc/90/86/03/583908603.db2.gz MUFRJAZWVWKPSM-UHFFFAOYSA-N -1 3 241.294 2.850 20 30 BFEDHM Cc1ccc([O-])c(C=NNc2ccc(F)cc2)n1 ZINC000728777122 583908817 /nfs/dbraw/zinc/90/88/17/583908817.db2.gz DQKIQLQDSVMBMH-UHFFFAOYSA-N -1 3 245.257 2.681 20 30 BFEDHM CCOc1ccc(/C=N/CCCCC#N)c([O-])c1 ZINC000728785826 583910014 /nfs/dbraw/zinc/91/00/14/583910014.db2.gz RJDJZVWXFHDEFV-LFIBNONCSA-N -1 3 246.310 2.904 20 30 BFEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1ccns1 ZINC000863616340 583993763 /nfs/dbraw/zinc/99/37/63/583993763.db2.gz YXMLRXJPBGJGFL-ZETCQYMHSA-N -1 3 246.282 2.532 20 30 BFEDHM C#CCCCCCC(=O)[N-]Oc1ccc(F)cc1 ZINC000898574678 584143034 /nfs/dbraw/zinc/14/30/34/584143034.db2.gz NILRULNERXRBCI-UHFFFAOYSA-N -1 3 249.285 2.819 20 30 BFEDHM CSCCON=Cc1cc([O-])cc(Cl)c1 ZINC000901235005 584404943 /nfs/dbraw/zinc/40/49/43/584404943.db2.gz CGVHKINKRZSLMP-UHFFFAOYSA-N -1 3 245.731 2.759 20 30 BFEDHM CC(=NOCC1CC1)c1cc([O-])cc(F)c1 ZINC000901245650 584407715 /nfs/dbraw/zinc/40/77/15/584407715.db2.gz LZWPWQBSNRJEJV-UHFFFAOYSA-N -1 3 223.247 2.682 20 30 BFEDHM CC(=NOC(C)C)c1cc([O-])cc(F)c1 ZINC000901250431 584409653 /nfs/dbraw/zinc/40/96/53/584409653.db2.gz SXJWNYNJQHXIBK-UHFFFAOYSA-N -1 3 211.236 2.680 20 30 BFEDHM CC[C@@H](C)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376645 584434960 /nfs/dbraw/zinc/43/49/60/584434960.db2.gz XEJRSXZLLXMGRS-SNVBAGLBSA-N -1 3 239.290 2.980 20 30 BFEDHM C=CC[C@@H]1CC[C@@H](NCc2ccc(C(=O)[O-])o2)C1 ZINC000901652047 584476074 /nfs/dbraw/zinc/47/60/74/584476074.db2.gz TXNVQLYLWKPDTL-GHMZBOCLSA-N -1 3 249.310 2.812 20 30 BFEDHM C=CCC[C@H](CC)NCc1cc(C(=O)[O-])co1 ZINC000901954453 584507820 /nfs/dbraw/zinc/50/78/20/584507820.db2.gz OAGKVTNZCHNCDB-NSHDSACASA-N -1 3 237.299 2.812 20 30 BFEDHM CC[C@H](NCC1(C#N)CC1)c1ccc(F)cc1[O-] ZINC000903105270 584727950 /nfs/dbraw/zinc/72/79/50/584727950.db2.gz BKTAFWHNRYWEGS-LBPRGKRZSA-N -1 3 248.301 2.876 20 30 BFEDHM C=CCCCN(CC)Cc1ccoc1C(=O)[O-] ZINC000903960935 584828156 /nfs/dbraw/zinc/82/81/56/584828156.db2.gz IFXDMTKATGOQJR-UHFFFAOYSA-N -1 3 237.299 2.766 20 30 BFEDHM C[C@H]1C[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904187941 584844831 /nfs/dbraw/zinc/84/48/31/584844831.db2.gz XNUCNTGTTWEJKO-WCBMZHEXSA-N -1 3 239.702 2.714 20 30 BFEDHM C[C@H]1C[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904187942 584844864 /nfs/dbraw/zinc/84/48/64/584844864.db2.gz XNUCNTGTTWEJKO-WPRPVWTQSA-N -1 3 239.702 2.714 20 30 BFEDHM O=C(CCC(F)F)N([O-])Cc1ccc(F)cc1 ZINC000904173690 584846049 /nfs/dbraw/zinc/84/60/49/584846049.db2.gz OPUSPIXILPTDJD-UHFFFAOYSA-N -1 3 247.216 2.589 20 30 BFEDHM CCCCCCN([O-])C(=O)CCCCC#N ZINC000904206538 584846372 /nfs/dbraw/zinc/84/63/72/584846372.db2.gz AWYWJGYRQNFGNA-UHFFFAOYSA-N -1 3 226.320 2.868 20 30 BFEDHM CCCCN([O-])C(=O)c1cccc2cc[nH]c21 ZINC000904209957 584847966 /nfs/dbraw/zinc/84/79/66/584847966.db2.gz BNPBRZKJGCPZSK-UHFFFAOYSA-N -1 3 232.283 2.799 20 30 BFEDHM CCCCCCN([O-])C(=O)CC1CCOCC1 ZINC000904204299 584852253 /nfs/dbraw/zinc/85/22/53/584852253.db2.gz JDCVKVVOLIFHLL-UHFFFAOYSA-N -1 3 243.347 2.601 20 30 BFEDHM CCCCCCN([O-])C(=O)C1(CCOC)CC1 ZINC000904205063 584852276 /nfs/dbraw/zinc/85/22/76/584852276.db2.gz ZAZBBPUUJPNYHB-UHFFFAOYSA-N -1 3 243.347 2.601 20 30 BFEDHM CCCCCCN([O-])C(=O)CO[C@@H](C)CC ZINC000904204545 584852308 /nfs/dbraw/zinc/85/23/08/584852308.db2.gz OMTQSQLEBOQELS-NSHDSACASA-N -1 3 231.336 2.600 20 30 BFEDHM CCCCCCN([O-])C(=O)[C@H](C)C(F)(F)F ZINC000904204293 584852480 /nfs/dbraw/zinc/85/24/80/584852480.db2.gz ITXISUNDDFSSJG-QMMMGPOBSA-N -1 3 241.253 2.983 20 30 BFEDHM CCCCN([O-])C(=O)c1cncc(F)c1Cl ZINC000904215086 584852762 /nfs/dbraw/zinc/85/27/62/584852762.db2.gz ZQVSCCFQILEXNE-UHFFFAOYSA-N -1 3 246.669 2.506 20 30 BFEDHM CCCCCCN([O-])C(=O)CC[C@@H]1CCCO1 ZINC000904205828 584852822 /nfs/dbraw/zinc/85/28/22/584852822.db2.gz UURCXXFBKXFVSU-LBPRGKRZSA-N -1 3 243.347 2.744 20 30 BFEDHM CCCCN([O-])C(=O)[C@@H](CC)CC(F)F ZINC000904215034 584853011 /nfs/dbraw/zinc/85/30/11/584853011.db2.gz XXWQDPSZCZQBKT-QMMMGPOBSA-N -1 3 223.263 2.686 20 30 BFEDHM CCCCN([O-])C(=O)[C@H](CC)CC(F)F ZINC000904215033 584853034 /nfs/dbraw/zinc/85/30/34/584853034.db2.gz XXWQDPSZCZQBKT-MRVPVSSYSA-N -1 3 223.263 2.686 20 30 BFEDHM CCCCN([O-])C(=O)[C@@H](F)Cc1ccccc1 ZINC000904211739 584854104 /nfs/dbraw/zinc/85/41/04/584854104.db2.gz CGOVCCIDKYIZMH-LBPRGKRZSA-N -1 3 239.290 2.585 20 30 BFEDHM CCCCN([O-])C(=O)CC1CCC(OC)CC1 ZINC000904211858 584854113 /nfs/dbraw/zinc/85/41/13/584854113.db2.gz FJUWNCYCFLESCE-UHFFFAOYSA-N -1 3 243.347 2.600 20 30 BFEDHM CCCCN([O-])C(=O)C1CCC(F)(F)CC1 ZINC000904212131 584854644 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228.226 2.659 20 30 BFEDHM N#CCc1cc(-c2ccc([O-])c(F)c2)ccn1 ZINC001240787841 981832501 /nfs/dbraw/zinc/83/25/01/981832501.db2.gz SPCURXKNEZBBPH-UHFFFAOYSA-N -1 3 228.226 2.659 20 30 BFEDHM Cc1ccc(-c2ccncc2C#N)c([O-])c1 ZINC001241043509 982145540 /nfs/dbraw/zinc/14/55/40/982145540.db2.gz ROIUEMFYRUNZNT-UHFFFAOYSA-N -1 3 210.236 2.634 20 30 BFEDHM Nc1ccccc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001241075782 982193952 /nfs/dbraw/zinc/19/39/52/982193952.db2.gz XHOOVSWMKKYCBN-LZYBPNLTSA-N -1 3 230.242 2.883 20 30 BFEDHM Cc1csc(Nc2cncc([O-])c2)c1C#N ZINC001201628854 983384243 /nfs/dbraw/zinc/38/42/43/983384243.db2.gz JGNJYMPTWAFZAP-UHFFFAOYSA-N -1 3 231.280 2.772 20 30 BFEDHM Cc1cc(C#N)c(Nc2cncc([O-])c2)cc1F ZINC001201649918 983402708 /nfs/dbraw/zinc/40/27/08/983402708.db2.gz UUANDNXJXIRWEW-UHFFFAOYSA-N -1 3 243.241 2.850 20 30 BFEDHM Cc1cccc(-c2ccc(C)c(C#N)n2)c1[O-] ZINC001242344465 983598885 /nfs/dbraw/zinc/59/88/85/983598885.db2.gz WWSWOJLNUZIVST-UHFFFAOYSA-N -1 3 224.263 2.943 20 30 BFEDHM [O-]/N=C/c1cccc(-c2ccc(CO)c(F)c2)c1 ZINC001242532736 983853771 /nfs/dbraw/zinc/85/37/71/983853771.db2.gz OLBXTUBAMAARCW-LZYBPNLTSA-N -1 3 245.253 2.793 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)C1(C)CCC(C)CC1 ZINC001358354418 983858200 /nfs/dbraw/zinc/85/82/00/983858200.db2.gz RMDXCPVRGLUYJV-QWKFWESOSA-N -1 3 225.332 2.825 20 30 BFEDHM C/C(=N\[O-])c1ccc(-c2cnoc2C)cc1 ZINC001242604978 983963043 /nfs/dbraw/zinc/96/30/43/983963043.db2.gz ZUEOWVRNPAQSNE-RIYZIHGNSA-N -1 3 216.240 2.848 20 30 BFEDHM CCOc1cncc(-c2cccc(/C=N/[O-])c2)c1 ZINC001242659789 984028551 /nfs/dbraw/zinc/02/85/51/984028551.db2.gz YHDOPZSINHBUSS-LZYBPNLTSA-N -1 3 242.278 2.955 20 30 BFEDHM Cc1ccc(-c2cccc(/C=N/[O-])c2)nc1 ZINC001242906102 984273833 /nfs/dbraw/zinc/27/38/33/984273833.db2.gz DXDKVQWRSSWVRM-OQLLNIDSSA-N -1 3 212.252 2.865 20 30 BFEDHM N#CCc1cnc(F)c(-c2ccc(F)c([O-])c2)c1 ZINC001243048355 984397325 /nfs/dbraw/zinc/39/73/25/984397325.db2.gz XOXWKFZXOZFEGI-UHFFFAOYSA-N -1 3 246.216 2.798 20 30 BFEDHM COc1cccc(-c2ccc(/C(C)=N/[O-])cc2)n1 ZINC001243100637 984535923 /nfs/dbraw/zinc/53/59/23/984535923.db2.gz YOVVXWUMFLTBFE-MHWRWJLKSA-N -1 3 242.278 2.955 20 30 BFEDHM [O-]/N=C/c1cccc(-c2cc(F)cc(CO)c2)c1 ZINC001243698370 985229437 /nfs/dbraw/zinc/22/94/37/985229437.db2.gz PQVYTWAKHBKUTD-LZYBPNLTSA-N -1 3 245.253 2.793 20 30 BFEDHM CCCCN([O-])C(=O)[C@H](C)c1ccccc1F ZINC001458023500 985257986 /nfs/dbraw/zinc/25/79/86/985257986.db2.gz NLZXEAXUHVYODN-SNVBAGLBSA-N -1 3 239.290 2.947 20 30 BFEDHM N#Cc1cc(-c2ccccc2C=N[O-])ccc1N ZINC001244116435 985826935 /nfs/dbraw/zinc/82/69/35/985826935.db2.gz LERCISWUKXYHCK-UHFFFAOYSA-N -1 3 237.262 2.616 20 30 BFEDHM Cc1cc(-c2cccnc2CC#N)cc([O-])c1F ZINC001244524866 986225729 /nfs/dbraw/zinc/22/57/29/986225729.db2.gz HKVJSVVZOLYEPZ-UHFFFAOYSA-N -1 3 242.253 2.968 20 30 BFEDHM Cc1cc(-c2ccc([O-])cc2Cl)nc(C#N)n1 ZINC001245077921 986637872 /nfs/dbraw/zinc/63/78/72/986637872.db2.gz JMBQEOBOESUAHK-UHFFFAOYSA-N -1 3 245.669 2.683 20 30 BFEDHM CCCCN([O-])C(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001119556972 989163272 /nfs/dbraw/zinc/16/32/72/989163272.db2.gz XWMYLCICBYHTFZ-BBBLOLIVSA-N -1 3 247.285 2.686 20 30 BFEDHM CCCCN([O-])C(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001119556973 989165758 /nfs/dbraw/zinc/16/57/58/989165758.db2.gz XWMYLCICBYHTFZ-KXUCPTDWSA-N -1 3 247.285 2.686 20 30 BFEDHM C=C(C)CCC(=O)[N-]OC1CCCCC1 ZINC001120637591 989806447 /nfs/dbraw/zinc/80/64/47/989806447.db2.gz RWFKDYSFLFEVMP-UHFFFAOYSA-N -1 3 211.305 2.723 20 30 BFEDHM C=C(C)CCC(=O)[N-]OCc1ccccc1OC ZINC001120649094 989813376 /nfs/dbraw/zinc/81/33/76/989813376.db2.gz XGSRJYNNRCRCPQ-UHFFFAOYSA-N -1 3 249.310 2.599 20 30 BFEDHM CCCCN([O-])C(=O)[C@@H]1CCCC1(C)C ZINC001559035380 991023091 /nfs/dbraw/zinc/02/30/91/991023091.db2.gz OHOZBILSMZEETF-JTQLQIEISA-N -1 3 213.321 2.831 20 30 BFEDHM CCCCCCN([O-])C(=O)c1cc(Cl)no1 ZINC001559035611 991023491 /nfs/dbraw/zinc/02/34/91/991023491.db2.gz YNXISDDTOQLXBE-UHFFFAOYSA-N -1 3 246.694 2.740 20 30 BFEDHM CCCCN([O-])C(=O)[C@H]1CCC[C@@H]1CC ZINC001559035123 991024914 /nfs/dbraw/zinc/02/49/14/991024914.db2.gz CTUGRARVKDGJKN-QWRGUYRKSA-N -1 3 213.321 2.831 20 30 BFEDHM CC1(CC(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC001262165526 992734079 /nfs/dbraw/zinc/73/40/79/992734079.db2.gz XEGOHNFTKOVGAA-UHFFFAOYSA-N -1 3 237.274 2.734 20 30 BFEDHM CCCCN([O-])C(=O)C1(CCCC)CC1 ZINC001306897261 995272613 /nfs/dbraw/zinc/27/26/13/995272613.db2.gz GIBGKXIJDDFHRE-UHFFFAOYSA-N -1 3 213.321 2.975 20 30 BFEDHM CCCCN([O-])C(=O)[C@H](C)C1CCCC1 ZINC001306897296 995272458 /nfs/dbraw/zinc/27/24/58/995272458.db2.gz HJIJHNJVFUUCLK-SNVBAGLBSA-N -1 3 213.321 2.831 20 30 BFEDHM C=CCCCC(=O)Nc1ccc(C)cc1[O-] ZINC000175146825 192026054 /nfs/dbraw/zinc/02/60/54/192026054.db2.gz NJEQAQRALFHUSX-UHFFFAOYSA-N -1 3 219.284 2.995 20 30 BFEDHM C=CCCCC(=O)[N-]OCc1ccccc1 ZINC000175167822 192026358 /nfs/dbraw/zinc/02/63/58/192026358.db2.gz MMIIBTVOYIBAPX-UHFFFAOYSA-N -1 3 219.284 2.591 20 30 BFEDHM Cc1ccc(C#N)cc1NC(=O)[N-]OCC(C)C ZINC000269688431 187334491 /nfs/dbraw/zinc/33/44/91/187334491.db2.gz MZFQIIHOICDFDE-UHFFFAOYSA-N -1 3 247.298 2.576 20 30 BFEDHM O=C(CCc1ccc(-c2ccccc2)cc1)N[O-] ZINC000168829495 538945596 /nfs/dbraw/zinc/94/55/96/538945596.db2.gz VRNVCKKJMVKGJV-UHFFFAOYSA-N -1 3 241.290 2.792 20 30 BFEDHM C=C1CCN(C(=O)c2ccc(C)c(C)c2[O-])CC1 ZINC000264490334 187235345 /nfs/dbraw/zinc/23/53/45/187235345.db2.gz NTTHDJBRXFJKCP-UHFFFAOYSA-N -1 3 245.322 2.801 20 30 BFEDHM N#Cc1cccc(SCc2ncccc2[O-])c1 ZINC000584091747 343537196 /nfs/dbraw/zinc/53/71/96/343537196.db2.gz OSLRSSYISLMKSQ-UHFFFAOYSA-N -1 3 242.303 2.951 20 30 BFEDHM C=C(C)C(C)(C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000424798239 192078428 /nfs/dbraw/zinc/07/84/28/192078428.db2.gz IOYDOUOWAOEBRA-UHFFFAOYSA-N -1 3 249.310 2.942 20 30 BFEDHM CO[C@@H]1CCCC[C@H]1/N=C/c1ccccc1[O-] ZINC000132367424 345328830 /nfs/dbraw/zinc/32/88/30/345328830.db2.gz GUFCTVKLSUKBRU-LHVWTWQCSA-N -1 3 233.311 2.769 20 30 BFEDHM C=CC[C@@H](C)NC(=O)c1cccc(CC)c1[O-] ZINC000081784375 345491682 /nfs/dbraw/zinc/49/16/82/345491682.db2.gz VZKLEQMKAHNTBO-SNVBAGLBSA-N -1 3 233.311 2.649 20 30 BFEDHM N#CCCCCCC(=O)Nc1ccccc1[O-] ZINC000588263239 346652253 /nfs/dbraw/zinc/65/22/53/346652253.db2.gz QVBCNXRFNXDCRU-UHFFFAOYSA-N -1 3 232.283 2.805 20 30 BFEDHM CC(C)CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000590570200 347473955 /nfs/dbraw/zinc/47/39/55/347473955.db2.gz YTWSCCZRXJSQNC-UHFFFAOYSA-N -1 3 229.736 2.548 20 30 BFEDHM N#CCCCCC(=O)Nc1cccc([O-])c1F ZINC000594332229 348034379 /nfs/dbraw/zinc/03/43/79/348034379.db2.gz QQIJOBUKVRGYBI-UHFFFAOYSA-N -1 3 236.246 2.554 20 30 BFEDHM CC1(C)C[C@H]1CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596120763 348453823 /nfs/dbraw/zinc/45/38/23/348453823.db2.gz AHUQNXGQYMHZIW-LURJTMIESA-N -1 3 241.747 2.548 20 30 BFEDHM C[C@H](CC#N)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000597441993 348737689 /nfs/dbraw/zinc/73/76/89/348737689.db2.gz JHNRYQJJWKGEEL-SSDOTTSWSA-N -1 3 238.674 2.534 20 30 BFEDHM C[C@@H](CC#N)C(=O)Nc1c([O-])cccc1Cl ZINC000597701260 348785107 /nfs/dbraw/zinc/78/51/07/348785107.db2.gz RSUCWDBKJADABS-ZETCQYMHSA-N -1 3 238.674 2.534 20 30 BFEDHM C[C@H](CC#N)C(=O)Nc1ccc([O-])cc1Cl ZINC000597857691 348827924 /nfs/dbraw/zinc/82/79/24/348827924.db2.gz RVSMQMLBZDQKIY-SSDOTTSWSA-N -1 3 238.674 2.534 20 30 BFEDHM C=CCN(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000294655794 166320288 /nfs/dbraw/zinc/32/02/88/166320288.db2.gz LDPRQDPIZKTYTR-UHFFFAOYSA-N -1 3 229.682 2.803 20 30 BFEDHM CC[C@@H](C#N)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000271301109 351411841 /nfs/dbraw/zinc/41/18/41/351411841.db2.gz QVTJIQWIORUSGI-NSHDSACASA-N -1 3 246.310 2.548 20 30 BFEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(C)cc1[O-] ZINC000284827215 352006569 /nfs/dbraw/zinc/00/65/69/352006569.db2.gz AUWNFKBKKMJJIU-ZDUSSCGKSA-N -1 3 232.283 2.579 20 30 BFEDHM CO[C@](C)(C/N=C/c1ccccc1[O-])C1CC1 ZINC000290945046 352251115 /nfs/dbraw/zinc/25/11/15/352251115.db2.gz LGQZQSNLJXLGIH-UWZYDCLUSA-N -1 3 233.311 2.626 20 30 BFEDHM N#CCCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000292183150 352306521 /nfs/dbraw/zinc/30/65/21/352306521.db2.gz AZPTUGISMSEPQU-UHFFFAOYSA-N -1 3 238.674 2.678 20 30 BFEDHM CCCC(C)(C)NC(=O)c1csc(=O)[n-]1 ZINC000331021705 353207796 /nfs/dbraw/zinc/20/77/96/353207796.db2.gz YPKKWIRQIFLPCK-UHFFFAOYSA-N -1 3 228.317 2.732 20 30 BFEDHM CC(C)CC[C@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000330976321 353208719 /nfs/dbraw/zinc/20/87/19/353208719.db2.gz MDEPZRPKKHPBAV-QMMMGPOBSA-N -1 3 242.344 2.978 20 30 BFEDHM C[C@H](C[C@H]1CCCO1)NC(=O)c1ccccc1[O-] ZINC000331234321 353235612 /nfs/dbraw/zinc/23/56/12/353235612.db2.gz KPHIKYFALZTXCG-GHMZBOCLSA-N -1 3 249.310 2.654 20 30 BFEDHM C#CCC(C)(C)c1nc(-c2ccc([O-])cc2)no1 ZINC000274304824 188264915 /nfs/dbraw/zinc/26/49/15/188264915.db2.gz DBQDPOBTXYVSKB-UHFFFAOYSA-N -1 3 242.278 2.743 20 30 BFEDHM C=CCCCN(C)C(=O)c1cccc(C)c1[O-] ZINC000134879582 353515665 /nfs/dbraw/zinc/51/56/65/353515665.db2.gz SHUQTGHMRPTVPF-UHFFFAOYSA-N -1 3 233.311 2.739 20 30 BFEDHM CCCC1(CNC(=O)c2csc(=O)[n-]2)CC1 ZINC000329985543 355702035 /nfs/dbraw/zinc/70/20/35/355702035.db2.gz RCECLTJSOOSYRL-UHFFFAOYSA-N -1 3 240.328 2.734 20 30 BFEDHM CC(C)C1(CNC(=O)c2csc(=O)[n-]2)CC1 ZINC000329977612 356154273 /nfs/dbraw/zinc/15/42/73/356154273.db2.gz GHJXOQGJOXUQDC-UHFFFAOYSA-N -1 3 240.328 2.590 20 30 BFEDHM CC[C@@H]1CCC[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329981572 356154594 /nfs/dbraw/zinc/15/45/94/356154594.db2.gz NNHDWTSKWJOFMF-HTQZYQBOSA-N -1 3 240.328 2.732 20 30 BFEDHM O=C(NC1CCCCCC1)c1csc(=O)[n-]1 ZINC000329926351 356145824 /nfs/dbraw/zinc/14/58/24/356145824.db2.gz WDRCZAURMBAKCC-UHFFFAOYSA-N -1 3 240.328 2.876 20 30 BFEDHM O=C(NCC1CCCCC1)c1csc(=O)[n-]1 ZINC000329956891 356149824 /nfs/dbraw/zinc/14/98/24/356149824.db2.gz PVECCRFDFFEEHY-UHFFFAOYSA-N -1 3 240.328 2.734 20 30 BFEDHM C=CC[C@@H](CC)N=c1[n-]c(C(C)=O)c(C)s1 ZINC000450502642 202186983 /nfs/dbraw/zinc/18/69/83/202186983.db2.gz VADBBIKALZYATF-SNVBAGLBSA-N -1 3 238.356 2.843 20 30 BFEDHM Cc1ccc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000046439261 358577025 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AEASVHJOIARKBE-UHFFFAOYSA-N -1 3 234.299 2.878 20 30 BFEDHM C=CCO[N-]C(=O)CCc1ccc(C(C)C)cc1 ZINC000837045284 587849821 /nfs/dbraw/zinc/84/98/21/587849821.db2.gz YXZYZARRAVGJDI-UHFFFAOYSA-N -1 3 247.338 2.976 20 30 BFEDHM C=CCO[N-]C(=O)C[C@H](CC)c1ccccc1 ZINC000837047100 587850639 /nfs/dbraw/zinc/85/06/39/587850639.db2.gz WNZIUPDMVRSADY-LBPRGKRZSA-N -1 3 233.311 2.804 20 30 BFEDHM C=CCO[N-]C(=O)CCc1cc(Cl)cs1 ZINC000837048798 587851623 /nfs/dbraw/zinc/85/16/23/587851623.db2.gz XLGMNQUGNFGUHW-UHFFFAOYSA-N -1 3 245.731 2.568 20 30 BFEDHM [O-]c1ccccc1/C=N\[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000840709153 587917529 /nfs/dbraw/zinc/91/75/29/587917529.db2.gz BGPCORKGWCRGOB-XZSLLDGLSA-N -1 3 215.296 3.000 20 30 BFEDHM CC(NN=c1[n-]cncc1Cl)=C1CC1(F)F ZINC000841637146 587964291 /nfs/dbraw/zinc/96/42/91/587964291.db2.gz GTZRPZFCLLEAQT-ZCFIWIBFSA-N -1 3 246.648 2.573 20 30 BFEDHM CCCON=C(C)c1ccc(OC)cc1[O-] ZINC000842565832 588042684 /nfs/dbraw/zinc/04/26/84/588042684.db2.gz NBZRKBDKOUCIHX-UHFFFAOYSA-N -1 3 223.272 2.551 20 30 BFEDHM C=C[C@@H](CC(=O)[N-]OCCC)c1ccccc1 ZINC000844086304 588164204 /nfs/dbraw/zinc/16/42/04/588164204.db2.gz YHYHZZXEAPDZEN-LBPRGKRZSA-N -1 3 233.311 2.804 20 30 BFEDHM C=CCC1(C(=O)[N-]OCCC)CCCCC1 ZINC000844090172 588166063 /nfs/dbraw/zinc/16/60/63/588166063.db2.gz GPHHCOXQNFFHBO-UHFFFAOYSA-N -1 3 225.332 2.971 20 30 BFEDHM C=C[C@H](C)ON=C([O-])Nc1ccc(C)cc1C ZINC000844480305 588198830 /nfs/dbraw/zinc/19/88/30/588198830.db2.gz ZAQLFXAUIOVGCG-NSHDSACASA-N -1 3 234.299 2.931 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccc(C)cc1C ZINC000844480305 588198831 /nfs/dbraw/zinc/19/88/31/588198831.db2.gz ZAQLFXAUIOVGCG-NSHDSACASA-N -1 3 234.299 2.931 20 30 BFEDHM C=C[C@H](C)ON=C([O-])Nc1ccc(C)cc1 ZINC000844481473 588199004 /nfs/dbraw/zinc/19/90/04/588199004.db2.gz FLYMSYSMGREAJG-JTQLQIEISA-N -1 3 220.272 2.623 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccc(C)cc1 ZINC000844481473 588199005 /nfs/dbraw/zinc/19/90/05/588199005.db2.gz FLYMSYSMGREAJG-JTQLQIEISA-N -1 3 220.272 2.623 20 30 BFEDHM C=C[C@H](C)ON=C([O-])Nc1ccc(F)cc1C ZINC000844488494 588199294 /nfs/dbraw/zinc/19/92/94/588199294.db2.gz WDELQPAAWXOQQE-VIFPVBQESA-N -1 3 238.262 2.762 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccc(F)cc1C ZINC000844488494 588199295 /nfs/dbraw/zinc/19/92/95/588199295.db2.gz WDELQPAAWXOQQE-VIFPVBQESA-N -1 3 238.262 2.762 20 30 BFEDHM C=C(C)CON=C([O-])Nc1ccc(F)c(C)c1 ZINC000844530580 588200579 /nfs/dbraw/zinc/20/05/79/588200579.db2.gz JCEWAOCIYITASN-UHFFFAOYSA-N -1 3 238.262 2.763 20 30 BFEDHM C=C(C)CO[N-]C(=O)Nc1ccc(F)c(C)c1 ZINC000844530580 588200580 /nfs/dbraw/zinc/20/05/80/588200580.db2.gz JCEWAOCIYITASN-UHFFFAOYSA-N -1 3 238.262 2.763 20 30 BFEDHM C=C(C)CON=C(C)c1ccccc1[O-] ZINC000844614942 588207726 /nfs/dbraw/zinc/20/77/26/588207726.db2.gz KYLNOKIUYGVYSF-UHFFFAOYSA-N -1 3 205.257 2.709 20 30 BFEDHM C=C[C@@H](C)ON=C(C)c1ccc([O-])cc1F ZINC000844623430 588210404 /nfs/dbraw/zinc/21/04/04/588210404.db2.gz GPQJZCVGQYKTSK-MRVPVSSYSA-N -1 3 223.247 2.846 20 30 BFEDHM C=C(C)CON=C([O-])N1c2ccccc2C[C@@H]1C ZINC000845589205 588234253 /nfs/dbraw/zinc/23/42/53/588234253.db2.gz CEYWXUDKRSHITJ-NSHDSACASA-N -1 3 246.310 2.655 20 30 BFEDHM C=C(C)CO[N-]C(=O)N1c2ccccc2C[C@@H]1C ZINC000845589205 588234254 /nfs/dbraw/zinc/23/42/54/588234254.db2.gz CEYWXUDKRSHITJ-NSHDSACASA-N -1 3 246.310 2.655 20 30 BFEDHM CC(C)(CCOC(=O)c1ccc(C#N)[n-]1)C1CC1 ZINC000845888871 588249580 /nfs/dbraw/zinc/24/95/80/588249580.db2.gz SGXCUEHNHWGRQC-UHFFFAOYSA-N -1 3 246.310 2.869 20 30 BFEDHM C=C(C)CO[N-]C(=O)C(C)=C1CCCC1 ZINC000846536967 588269590 /nfs/dbraw/zinc/26/95/90/588269590.db2.gz DTKAFCKHVBMSSQ-UHFFFAOYSA-N -1 3 209.289 2.501 20 30 BFEDHM C=C(C)CO[N-]C(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C ZINC000846533945 588270707 /nfs/dbraw/zinc/27/07/07/588270707.db2.gz PVMMKXYATWGDGH-FPMFFAJLSA-N -1 3 245.322 2.660 20 30 BFEDHM C=C(C)CO[N-]C(=O)C(C)(C)CC(C)C ZINC000846537269 588272198 /nfs/dbraw/zinc/27/21/98/588272198.db2.gz JHUQKUJFYFFZPW-UHFFFAOYSA-N -1 3 213.321 2.683 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)CCCc1cccs1 ZINC000846542231 588273019 /nfs/dbraw/zinc/27/30/19/588273019.db2.gz XIHTWRLEHFBVGN-JTQLQIEISA-N -1 3 239.340 2.693 20 30 BFEDHM C=C(C)CO[N-]C(=O)CC1CCCCC1 ZINC000846541488 588273083 /nfs/dbraw/zinc/27/30/83/588273083.db2.gz YKHQSSAYMXFUMW-UHFFFAOYSA-N -1 3 211.305 2.581 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)CCc1cccc(C)c1 ZINC000846544414 588273536 /nfs/dbraw/zinc/27/35/36/588273536.db2.gz XAZPRNBENOKPAM-LBPRGKRZSA-N -1 3 233.311 2.550 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)CCc1cccc(C)c1 ZINC000846544411 588273660 /nfs/dbraw/zinc/27/36/60/588273660.db2.gz XAZPRNBENOKPAM-GFCCVEGCSA-N -1 3 233.311 2.550 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)CCCC(C)(C)C ZINC000846546705 588274188 /nfs/dbraw/zinc/27/41/88/588274188.db2.gz YDWOXBVOJIIPKN-SNVBAGLBSA-N -1 3 213.321 2.825 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)CCc1cc(C)cc(C)c1 ZINC000846547648 588274566 /nfs/dbraw/zinc/27/45/66/588274566.db2.gz LJYRQOJDGFCSQZ-ZDUSSCGKSA-N -1 3 247.338 2.858 20 30 BFEDHM C=C[C@@H](C)ONC(=O)c1ccc(C(C)C)cc1[O-] ZINC000846551227 588275773 /nfs/dbraw/zinc/27/57/73/588275773.db2.gz YDYBQRMBTAVQBI-SNVBAGLBSA-N -1 3 249.310 2.752 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)CCCCC(C)C ZINC000846554262 588276661 /nfs/dbraw/zinc/27/66/61/588276661.db2.gz JDXITUZJDBZXPL-LLVKDONJSA-N -1 3 213.321 2.825 20 30 BFEDHM C=CCC(F)(F)C(=O)[N-]C(C)(C)C(C)(F)F ZINC000847113521 588306801 /nfs/dbraw/zinc/30/68/01/588306801.db2.gz LNCHAQGKMABMNX-UHFFFAOYSA-N -1 3 241.228 2.748 20 30 BFEDHM CCc1cccc(C=NOCC(F)(F)F)c1[O-] ZINC000848406440 588378398 /nfs/dbraw/zinc/37/83/98/588378398.db2.gz DUBVDZNCMMVDTA-UHFFFAOYSA-N -1 3 247.216 2.867 20 30 BFEDHM COc1cccc([O-])c1/C=N/[C@H]1C=CCC1 ZINC000849170361 588459536 /nfs/dbraw/zinc/45/95/36/588459536.db2.gz ONDIZIDCLKQFHK-RSYJBZMQSA-N -1 3 217.268 2.538 20 30 BFEDHM Cc1cc(C(=O)OCC2(CC#N)CC2)ccc1[O-] ZINC000849754620 588494074 /nfs/dbraw/zinc/49/40/74/588494074.db2.gz XHZMUIJSDAEEFJ-UHFFFAOYSA-N -1 3 245.278 2.551 20 30 BFEDHM CC(C)CCCCOC(=O)c1ccc(C#N)[n-]1 ZINC000860895444 589125699 /nfs/dbraw/zinc/12/56/99/589125699.db2.gz LTGQPZKKPZGZBW-UHFFFAOYSA-N -1 3 234.299 2.869 20 30 BFEDHM CC(C)(C)[C@@H]1C[C@@H]1COC(=O)c1ccc(C#N)[n-]1 ZINC000861114259 589147169 /nfs/dbraw/zinc/14/71/69/589147169.db2.gz HGHTZSHUHIZMMQ-MWLCHTKSSA-N -1 3 246.310 2.725 20 30 BFEDHM [O-]c1ccccc1/C=N\CC1CC=CC1 ZINC000864345345 589354165 /nfs/dbraw/zinc/35/41/65/589354165.db2.gz UHEZDEZXOVPAMK-UVTDQMKNSA-N -1 3 201.269 2.777 20 30 BFEDHM CCNN=C(C)c1ccc2ccccc2c1[O-] ZINC000866601531 589503653 /nfs/dbraw/zinc/50/36/53/589503653.db2.gz OZRWAAWHCZOAQW-UHFFFAOYSA-N -1 3 228.295 2.879 20 30 BFEDHM CC[C@H](C)CCC(=O)[N-]Oc1cccc(C#N)c1 ZINC000870689957 589684405 /nfs/dbraw/zinc/68/44/05/589684405.db2.gz FROPMBULIJZNOL-NSHDSACASA-N -1 3 246.310 2.795 20 30 BFEDHM CCCCCCC(=O)[N-]Oc1cccc(C#N)c1 ZINC000870693768 589684744 /nfs/dbraw/zinc/68/47/44/589684744.db2.gz UAJNPHNQQKHWHY-UHFFFAOYSA-N -1 3 246.310 2.939 20 30 BFEDHM CCC/C(C)=C/C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870692453 589684960 /nfs/dbraw/zinc/68/49/60/589684960.db2.gz FEXWIVWYWXQWOQ-DHZHZOJOSA-N -1 3 244.294 2.715 20 30 BFEDHM CCOC1CC2(C[C@@H]2/N=C/c2ccccc2[O-])C1 ZINC000871598485 589772652 /nfs/dbraw/zinc/77/26/52/589772652.db2.gz QKZCWABUQWGXJA-YSAUKCKJSA-N -1 3 245.322 2.769 20 30 BFEDHM CCOC1CC2(C[C@@H]2/N=C\c2ccccc2[O-])C1 ZINC000871598483 589772682 /nfs/dbraw/zinc/77/26/82/589772682.db2.gz QKZCWABUQWGXJA-ORIOABKFSA-N -1 3 245.322 2.769 20 30 BFEDHM Cc1ccc(C=NO[C@@H]2CCCCO2)c([O-])c1 ZINC000872360376 589918813 /nfs/dbraw/zinc/91/88/13/589918813.db2.gz KANMQOOIYWTYMW-CYBMUJFWSA-N -1 3 235.283 2.578 20 30 BFEDHM C=C[C@H](C)ON=Cc1ccc(C)cc1[O-] ZINC000872387970 589930725 /nfs/dbraw/zinc/93/07/25/589930725.db2.gz YCAWQAHCUWNXKE-JTQLQIEISA-N -1 3 205.257 2.626 20 30 BFEDHM Cc1cccc([O-])c1CN(C)CC(C)(C)C#N ZINC000877550264 590352933 /nfs/dbraw/zinc/35/29/33/590352933.db2.gz VSKNDTNLMDXSBZ-UHFFFAOYSA-N -1 3 232.327 2.682 20 30 BFEDHM C=CCN(CCC#N)Cc1c(C)cccc1[O-] ZINC000877546732 590353078 /nfs/dbraw/zinc/35/30/78/590353078.db2.gz UGJJUUHXDSNKAE-UHFFFAOYSA-N -1 3 230.311 2.602 20 30 BFEDHM Cc1ccc(CN(C)CC(C)(C)C#N)c([O-])c1 ZINC000877549461 590354263 /nfs/dbraw/zinc/35/42/63/590354263.db2.gz CRGDUDQVVZDJMW-UHFFFAOYSA-N -1 3 232.327 2.682 20 30 BFEDHM C=CCCC[C@H](C(=O)N[O-])c1ccccc1 ZINC000878096316 590492558 /nfs/dbraw/zinc/49/25/58/590492558.db2.gz OIRZZVOXCJSUAF-LBPRGKRZSA-N -1 3 219.284 2.632 20 30 BFEDHM C=CCCC[C@@H](C(=O)N[O-])c1ccccc1 ZINC000878096315 590493138 /nfs/dbraw/zinc/49/31/38/590493138.db2.gz OIRZZVOXCJSUAF-GFCCVEGCSA-N -1 3 219.284 2.632 20 30 BFEDHM C=CC(C)(C)CC(=O)[N-]OC1CCCC1 ZINC000879385860 590759254 /nfs/dbraw/zinc/75/92/54/590759254.db2.gz XJZQNAHPKPKCSD-UHFFFAOYSA-N -1 3 211.305 2.579 20 30 BFEDHM C=CCCO[N-]C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC000880725137 591127445 /nfs/dbraw/zinc/12/74/45/591127445.db2.gz PAJIOURSYAHLBI-DZGCQCFKSA-N -1 3 245.322 2.588 20 30 BFEDHM 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20 30 BFEDHM CC[C@H](C)C[C@@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000331015970 353212428 /nfs/dbraw/zinc/21/24/28/353212428.db2.gz USMAXKXWLKINAL-JGVFFNPUSA-N -1 3 242.344 2.978 20 30 BFEDHM CC[C@H](C)C[C@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000331015971 353212799 /nfs/dbraw/zinc/21/27/99/353212799.db2.gz USMAXKXWLKINAL-YUMQZZPRSA-N -1 3 242.344 2.978 20 30 BFEDHM C=CC[C@@H](C)NCc1c(F)ccc([O-])c1F ZINC000293556854 353748976 /nfs/dbraw/zinc/74/89/76/353748976.db2.gz HRWALCVDTJUVFI-MRVPVSSYSA-N -1 3 227.254 2.725 20 30 BFEDHM C=C[C@@H](CC(=O)[N-]OCC1CC1)c1ccccc1 ZINC000293729285 353755419 /nfs/dbraw/zinc/75/54/19/353755419.db2.gz HOLUCCZOKNAILO-ZDUSSCGKSA-N -1 3 245.322 2.804 20 30 BFEDHM C=CC[C@H]1CCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000628485714 359446014 /nfs/dbraw/zinc/44/60/14/359446014.db2.gz RLWJXOLURCGOMK-LBPRGKRZSA-N -1 3 245.322 2.739 20 30 BFEDHM C=CC[C@@H]1CCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000628489703 359623860 /nfs/dbraw/zinc/62/38/60/359623860.db2.gz DQWSCUPYAMNSAS-GFCCVEGCSA-N -1 3 245.322 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213.321 2.827 20 30 BFEDHM Cc1ccc(NC(=O)C#CC(C)(C)C)c([O-])c1 ZINC000837309242 587864900 /nfs/dbraw/zinc/86/49/00/587864900.db2.gz GDAOXCRFHGOAMK-UHFFFAOYSA-N -1 3 231.295 2.689 20 30 BFEDHM COC1(CC/N=C\c2ccccc2[O-])CCC1 ZINC000840706442 587916826 /nfs/dbraw/zinc/91/68/26/587916826.db2.gz MHSAIHYJCKKLLQ-PTNGSMBKSA-N -1 3 233.311 2.770 20 30 BFEDHM CC(C)[C@@H]1C[C@H]1C/N=C/c1ccc(O)c([O-])c1O ZINC000840708875 587916838 /nfs/dbraw/zinc/91/68/38/587916838.db2.gz JKUQNKVJTOHINX-UKEOCHLASA-N -1 3 249.310 2.514 20 30 BFEDHM COc1cccc([O-])c1/C=N\CC[C@H](C)F ZINC000840704426 587916936 /nfs/dbraw/zinc/91/69/36/587916936.db2.gz ANARUFUVAMMXGP-JNNKLVPLSA-N -1 3 225.263 2.568 20 30 BFEDHM C#C[C@H](C)N(C)Cc1c([O-])cc(C)cc1Cl ZINC000840941131 587931439 /nfs/dbraw/zinc/93/14/39/587931439.db2.gz SRIVTGZOBXMZKG-JTQLQIEISA-N -1 3 237.730 2.808 20 30 BFEDHM COCC1(CC/N=C\c2ccccc2[O-])CC1 ZINC000843266404 588096484 /nfs/dbraw/zinc/09/64/84/588096484.db2.gz LOMGKDACOQNJJU-GDNBJRDFSA-N -1 3 233.311 2.628 20 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ZINC000844618013 588208068 /nfs/dbraw/zinc/20/80/68/588208068.db2.gz WXPOMJVUMHQDKH-UHFFFAOYSA-N -1 3 223.247 2.848 20 30 BFEDHM C=C[C@H](C)ON=C(C)c1ccc(OC)cc1[O-] ZINC000844623278 588210115 /nfs/dbraw/zinc/21/01/15/588210115.db2.gz LEIPGOMLYZXJLG-VIFPVBQESA-N -1 3 235.283 2.716 20 30 BFEDHM C=C[C@@H](C)ON=C(C)c1sccc1[O-] ZINC000844624176 588210558 /nfs/dbraw/zinc/21/05/58/588210558.db2.gz GCHUXCCZFKTVJZ-SSDOTTSWSA-N -1 3 211.286 2.769 20 30 BFEDHM C=C[C@H](C)ON=C([O-])N1C[C@@H](C)c2ccccc21 ZINC000845620520 588237151 /nfs/dbraw/zinc/23/71/51/588237151.db2.gz UGSYFDLBPWGBRG-MNOVXSKESA-N -1 3 246.310 2.826 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)N1C[C@@H](C)c2ccccc21 ZINC000845620520 588237152 /nfs/dbraw/zinc/23/71/52/588237152.db2.gz UGSYFDLBPWGBRG-MNOVXSKESA-N -1 3 246.310 2.826 20 30 BFEDHM C=C(C)CO[N-]C(=O)CC1(C)CCCC1 ZINC000846533986 588270567 /nfs/dbraw/zinc/27/05/67/588270567.db2.gz QUGSFSCEWOZWDP-UHFFFAOYSA-N -1 3 211.305 2.581 20 30 BFEDHM C=C(C)CO[N-]C(=O)[C@@](C)(CC)CCC ZINC000846534239 588270804 /nfs/dbraw/zinc/27/08/04/588270804.db2.gz XDCIMXSJPDNFRX-LBPRGKRZSA-N -1 3 213.321 2.827 20 30 BFEDHM C=C(C)CO[N-]C(=O)C1(CCC)CCC1 ZINC000846536397 588271630 /nfs/dbraw/zinc/27/16/30/588271630.db2.gz JMNKGMTZQXUEKC-UHFFFAOYSA-N -1 3 211.305 2.581 20 30 BFEDHM C=C(C)CO[N-]C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC000846536911 588271645 /nfs/dbraw/zinc/27/16/45/588271645.db2.gz AWVOAWQZJJSMKL-VXGBXAGGSA-N -1 3 237.343 2.849 20 30 BFEDHM C=C(C)CO[N-]C(=O)CCc1ccccc1C ZINC000846538985 588272461 /nfs/dbraw/zinc/27/24/61/588272461.db2.gz NQSQFWVGSAHHCW-UHFFFAOYSA-N -1 3 233.311 2.552 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccc(Cl)cc1 ZINC000846541204 588273066 /nfs/dbraw/zinc/27/30/66/588273066.db2.gz QGPJOQSJURVRSR-VIFPVBQESA-N -1 3 239.702 2.505 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)CCCC1CCCC1 ZINC000846549091 588275284 /nfs/dbraw/zinc/27/52/84/588275284.db2.gz XKNMCNXKHYFBPA-NSHDSACASA-N -1 3 225.332 2.969 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)C1=CCC(C)(C)CC1 ZINC000846554996 588276776 /nfs/dbraw/zinc/27/67/76/588276776.db2.gz PQZLDUBNKXWKGH-JTQLQIEISA-N -1 3 223.316 2.745 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCCC1(C)C ZINC000846555953 588277286 /nfs/dbraw/zinc/27/72/86/588277286.db2.gz VZXRRGFREWRJLC-GHMZBOCLSA-N -1 3 225.332 2.825 20 30 BFEDHM N#Cc1ccc(C(=O)OC2(C3CCCC3)CC2)[n-]1 ZINC000848018052 588347855 /nfs/dbraw/zinc/34/78/55/588347855.db2.gz NNSGAXSQHIEICZ-UHFFFAOYSA-N -1 3 244.294 2.766 20 30 BFEDHM C=C[C@@H](C)ON=Cc1cccc(CC)c1[O-] ZINC000848414015 588380841 /nfs/dbraw/zinc/38/08/41/588380841.db2.gz KKHUJUBXCHFMAO-SNVBAGLBSA-N -1 3 219.284 2.880 20 30 BFEDHM C=C[C@H](C)ON=Cc1cccc(CC)c1[O-] ZINC000848413838 588380903 /nfs/dbraw/zinc/38/09/03/588380903.db2.gz KKHUJUBXCHFMAO-JTQLQIEISA-N -1 3 219.284 2.880 20 30 BFEDHM COc1cccc([O-])c1/C=N/CCC(C)(C)F ZINC000849172064 588459982 /nfs/dbraw/zinc/45/99/82/588459982.db2.gz LMVGPQXTBNCCBV-OQLLNIDSSA-N -1 3 239.290 2.958 20 30 BFEDHM Cc1cc([O-])ccc1C(=O)OCC1(CC#N)CC1 ZINC000849747936 588493122 /nfs/dbraw/zinc/49/31/22/588493122.db2.gz DTQRXLQAVOPYFP-UHFFFAOYSA-N -1 3 245.278 2.551 20 30 BFEDHM C=CCO[N-]C(=O)CC(C1CCC1)C1CCC1 ZINC000861923757 589183683 /nfs/dbraw/zinc/18/36/83/589183683.db2.gz FHJKKBHCMDGPKK-UHFFFAOYSA-N -1 3 237.343 2.827 20 30 BFEDHM [O-]c1ccccc1/C=N\CC[C@H]1CCSC1 ZINC000864347625 589354373 /nfs/dbraw/zinc/35/43/73/589354373.db2.gz UZWZJDCPDCXVBS-HOXUKUGESA-N -1 3 235.352 2.954 20 30 BFEDHM [O-]c1ccccc1/C=N/CC[C@H]1CCSC1 ZINC000864347626 589354412 /nfs/dbraw/zinc/35/44/12/589354412.db2.gz UZWZJDCPDCXVBS-LUHPIMIVSA-N -1 3 235.352 2.954 20 30 BFEDHM [O-]c1ccccc1/C=N\[C@@H]1C[C@H]1C(F)(F)F ZINC000864347165 589354441 /nfs/dbraw/zinc/35/44/41/589354441.db2.gz LJXJEOWDVPWJBC-HCPAZGRPSA-N -1 3 229.201 2.762 20 30 BFEDHM [O-]c1ccccc1/C=N\[C@@H]1CCCn2nccc21 ZINC000864348869 589354786 /nfs/dbraw/zinc/35/47/86/589354786.db2.gz QXRMGPMYZAHCIY-DYTQJMLRSA-N -1 3 241.294 2.543 20 30 BFEDHM CC(C)CCCC(=O)[N-]Oc1cccc(C#N)c1 ZINC000870690292 589684297 /nfs/dbraw/zinc/68/42/97/589684297.db2.gz MMGKGHCWNCZLPH-UHFFFAOYSA-N -1 3 246.310 2.795 20 30 BFEDHM CC[C@@H](C)CCC(=O)[N-]Oc1cccc(C#N)c1 ZINC000870689956 589684385 /nfs/dbraw/zinc/68/43/85/589684385.db2.gz FROPMBULIJZNOL-LLVKDONJSA-N -1 3 246.310 2.795 20 30 BFEDHM CCC(C)(C)CC(=O)[N-]Oc1cccc(C#N)c1 ZINC000870692770 589684842 /nfs/dbraw/zinc/68/48/42/589684842.db2.gz NJLYGVFNMQYLIO-UHFFFAOYSA-N -1 3 246.310 2.795 20 30 BFEDHM C=CC(C)(C)CCC[N-]C(=O)C(F)(F)F ZINC000871596663 589771601 /nfs/dbraw/zinc/77/16/01/589771601.db2.gz AEHMIBWAGZOYBK-UHFFFAOYSA-N -1 3 223.238 2.657 20 30 BFEDHM C=C[C@@H](C)N[C@@H](C)c1cccc([O-])c1F ZINC000872041402 589859207 /nfs/dbraw/zinc/85/92/07/589859207.db2.gz HTQPXWOQVWIXOM-BDAKNGLRSA-N -1 3 209.264 2.756 20 30 BFEDHM Cc1ccc(C=NOC2CCC2)c([O-])c1 ZINC000872376761 589926325 /nfs/dbraw/zinc/92/63/25/589926325.db2.gz QRGVSBVEGCLMTH-UHFFFAOYSA-N -1 3 205.257 2.604 20 30 BFEDHM CCCON=Cc1cc(OC)c([O-])cc1Cl ZINC000872384109 589928783 /nfs/dbraw/zinc/92/87/83/589928783.db2.gz LPGYSOWQFCCWGY-UHFFFAOYSA-N -1 3 243.690 2.815 20 30 BFEDHM CCN(Cc1c(C)cccc1[O-])C[C@@H](C)C#N ZINC000876617272 590222684 /nfs/dbraw/zinc/22/26/84/590222684.db2.gz IZZCYVCYWWKXQY-NSHDSACASA-N -1 3 232.327 2.682 20 30 BFEDHM Cc1ccc(CN2CCC[C@@](C)(C#N)C2)c([O-])c1 ZINC000877312176 590312967 /nfs/dbraw/zinc/31/29/67/590312967.db2.gz DVUNWLKSINCIJO-HNNXBMFYSA-N -1 3 244.338 2.826 20 30 BFEDHM C=CCN(CCC#N)Cc1ccc(C)cc1[O-] ZINC000877545915 590352862 /nfs/dbraw/zinc/35/28/62/590352862.db2.gz NOVMAEBSMBSYFQ-UHFFFAOYSA-N -1 3 230.311 2.602 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)[C@@]1(C)CCC[C@H]1CC ZINC000880548903 591086366 /nfs/dbraw/zinc/08/63/66/591086366.db2.gz HJJWIKVZBAUOJN-LOWVWBTDSA-N -1 3 225.332 2.825 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)[C@@]1(C)CCC[C@@H]1CC ZINC000880548902 591087969 /nfs/dbraw/zinc/08/79/69/591087969.db2.gz HJJWIKVZBAUOJN-GVXVVHGQSA-N -1 3 225.332 2.825 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC000880548885 591088094 /nfs/dbraw/zinc/08/80/94/591088094.db2.gz GPHLBKXXEGCZCC-OSAQELSMSA-N -1 3 245.322 2.587 20 30 BFEDHM [O-]c1ccccc1/C=N/C[C@@H]1CCCS1 ZINC000129346647 591282519 /nfs/dbraw/zinc/28/25/19/591282519.db2.gz VNYWLDUWWPHIAW-ZWSXMNCCSA-N -1 3 221.325 2.707 20 30 BFEDHM CCCCCCCCCn1c([O-])coc1=O ZINC000882274338 591323749 /nfs/dbraw/zinc/32/37/49/591323749.db2.gz IPHOLALRFKXODV-UHFFFAOYSA-N -1 3 227.304 2.716 20 30 BFEDHM C=C(Cl)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000135032695 591974676 /nfs/dbraw/zinc/97/46/76/591974676.db2.gz OSGIEOLYUVGALR-SNVBAGLBSA-N -1 3 245.750 2.562 20 30 BFEDHM [O-]c1ccccc1/C=N/C[C@@H]1CC2(CCC2)CO1 ZINC000887270646 592474285 /nfs/dbraw/zinc/47/42/85/592474285.db2.gz QLYGAXDKODUFHF-WFSQQTBHSA-N -1 3 245.322 2.770 20 30 BFEDHM C=C(CC)CNc1cccc(-c2nnn[n-]2)c1C ZINC000823877971 608289229 /nfs/dbraw/zinc/28/92/29/608289229.db2.gz LEOQOKMCIODOLV-UHFFFAOYSA-N -1 3 243.314 2.553 20 30 BFEDHM C=C(CC)CNc1cccc(-c2nn[n-]n2)c1C ZINC000823877971 608289230 /nfs/dbraw/zinc/28/92/30/608289230.db2.gz LEOQOKMCIODOLV-UHFFFAOYSA-N -1 3 243.314 2.553 20 30 BFEDHM C=C(CC)COc1cc(-c2nnn[n-]2)ccc1C ZINC000823877796 608289233 /nfs/dbraw/zinc/28/92/33/608289233.db2.gz FPYMJJQKMBUFDD-UHFFFAOYSA-N -1 3 244.298 2.520 20 30 BFEDHM C=C(CC)COc1cc(-c2nn[n-]n2)ccc1C ZINC000823877796 608289234 /nfs/dbraw/zinc/28/92/34/608289234.db2.gz FPYMJJQKMBUFDD-UHFFFAOYSA-N -1 3 244.298 2.520 20 30 BFEDHM N#CCCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000192651717 636936901 /nfs/dbraw/zinc/93/69/01/636936901.db2.gz HIXNLFGCIUONDX-UHFFFAOYSA-N -1 3 247.081 2.782 20 30 BFEDHM CCCCN([O-])C(=O)[C@@]12C[C@@H]1CCCC2 ZINC000904215911 637391952 /nfs/dbraw/zinc/39/19/52/637391952.db2.gz PVRQVRQNOJNMMJ-JQWIXIFHSA-N -1 3 211.305 2.585 20 30 BFEDHM CCCCN([O-])C(=O)C[C@H](C)c1ccco1 ZINC000904216120 637393271 /nfs/dbraw/zinc/39/32/71/637393271.db2.gz YBVSDNHOCDLGAX-JTQLQIEISA-N -1 3 225.288 2.791 20 30 BFEDHM CCCCN([O-])C(=O)CC[C@H]1CC(C)(C)CO1 ZINC000904216157 637393277 /nfs/dbraw/zinc/39/32/77/637393277.db2.gz YDWHULPLTLMGDN-NSHDSACASA-N -1 3 243.347 2.600 20 30 BFEDHM CCCCN([O-])C(=O)c1ccc(C(F)F)o1 ZINC000904216024 637393666 /nfs/dbraw/zinc/39/36/66/637393666.db2.gz VLCJWZDCNFZBPR-UHFFFAOYSA-N -1 3 233.214 2.849 20 30 BFEDHM C=C(C)CNN=C(C)c1ccc([O-])cc1Cl ZINC000905472336 637830506 /nfs/dbraw/zinc/83/05/06/637830506.db2.gz VUDDQCKFHHENHU-UHFFFAOYSA-N -1 3 238.718 2.935 20 30 BFEDHM C=CCCO[N-]C(=O)C1(C2CCCCC2)CC1 ZINC000912627453 640144670 /nfs/dbraw/zinc/14/46/70/640144670.db2.gz DUWYCVTWZSHXGZ-UHFFFAOYSA-N -1 3 237.343 2.971 20 30 BFEDHM [O-]c1ccc(Cl)cc1/C=N\C1CCOCC1 ZINC000255330534 643857205 /nfs/dbraw/zinc/85/72/05/643857205.db2.gz LWCGLGCEMZEHCZ-ZSOIEALJSA-N -1 3 239.702 2.644 20 30 BFEDHM N#C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C1CC1 ZINC000751177792 644599387 /nfs/dbraw/zinc/59/93/87/644599387.db2.gz VNXPVBBIBKJKBH-SNVBAGLBSA-N -1 3 246.291 2.688 20 30 BFEDHM [O-]c1ccc(F)cc1C=NNc1ccc(F)cn1 ZINC000755704727 644619525 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/nfs/dbraw/zinc/85/20/57/584852057.db2.gz AXWOVLMCPZYERV-LLVKDONJSA-N -1 3 243.347 2.600 20 30 BFEDHM CCCCCCN([O-])C(=O)c1cscn1 ZINC000904204988 584852293 /nfs/dbraw/zinc/85/22/93/584852293.db2.gz XCFHNKOWTSTWCA-UHFFFAOYSA-N -1 3 228.317 2.555 20 30 BFEDHM CCCCN([O-])C(=O)C1(CCOCC)CCC1 ZINC000904211964 584854488 /nfs/dbraw/zinc/85/44/88/584854488.db2.gz IGPVWDITBLLNOZ-UHFFFAOYSA-N -1 3 243.347 2.601 20 30 BFEDHM CCCCN([O-])C(=O)C(C)(C)C(C)C ZINC000904212227 584854639 /nfs/dbraw/zinc/85/46/39/584854639.db2.gz BVYWFFJWSVKCTB-UHFFFAOYSA-N -1 3 201.310 2.687 20 30 BFEDHM CCCCN([O-])C(=O)C[C@H]1CCC(F)(F)C1 ZINC000904212269 584854828 /nfs/dbraw/zinc/85/48/28/584854828.db2.gz CHEDFJWMLVGNSF-SECBINFHSA-N -1 3 235.274 2.830 20 30 BFEDHM CCCCN([O-])C(=O)[C@H]1CCCC(F)(F)C1 ZINC000904213673 584855922 /nfs/dbraw/zinc/85/59/22/584855922.db2.gz WSLBBZCSMMPERO-VIFPVBQESA-N -1 3 235.274 2.830 20 30 BFEDHM CC(=NOC(C)C)c1ccc(C)cc1[O-] ZINC000835004734 584917543 /nfs/dbraw/zinc/91/75/43/584917543.db2.gz XNGNMCVMKDYQEA-UHFFFAOYSA-N -1 3 207.273 2.850 20 30 BFEDHM CCC(CC)NN=Cc1ccc(OC)cc1[O-] ZINC000734366354 584961147 /nfs/dbraw/zinc/96/11/47/584961147.db2.gz OIZRDLZWPTWSFH-UHFFFAOYSA-N -1 3 236.315 2.513 20 30 BFEDHM [O-]c1ccccc1/C=N\C[C@@H](O)c1ccsc1 ZINC000739426936 585064807 /nfs/dbraw/zinc/06/48/07/585064807.db2.gz OPYWLERQGQUIMV-CRMJKIRDSA-N -1 3 247.319 2.606 20 30 BFEDHM C=CCCO[N-]C(=O)c1c(F)cccc1Cl ZINC000740872131 585107377 /nfs/dbraw/zinc/10/73/77/585107377.db2.gz FVZMHAOBLRQAAQ-UHFFFAOYSA-N -1 3 243.665 2.717 20 30 BFEDHM C[C@H](/N=C\c1ccccc1[O-])c1ccccn1 ZINC000743538204 585137929 /nfs/dbraw/zinc/13/79/29/585137929.db2.gz JGDFLXRCLIQLQA-OKHBPPCESA-N -1 3 226.279 2.967 20 30 BFEDHM C#CCCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000743731625 585139016 /nfs/dbraw/zinc/13/90/16/585139016.db2.gz SYPRRLFYQXWFMB-UHFFFAOYSA-N -1 3 245.322 2.659 20 30 BFEDHM C=C(C)CCOC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000744303181 585147715 /nfs/dbraw/zinc/14/77/15/585147715.db2.gz PXCLKBAFMJDITR-UHFFFAOYSA-N -1 3 246.266 2.793 20 30 BFEDHM C=C(C)CCOC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000744303181 585147716 /nfs/dbraw/zinc/14/77/16/585147716.db2.gz PXCLKBAFMJDITR-UHFFFAOYSA-N -1 3 246.266 2.793 20 30 BFEDHM C[C@]1(C#N)CCCN(Cc2ccccc2[O-])C1 ZINC000753586062 585262978 /nfs/dbraw/zinc/26/29/78/585262978.db2.gz DTCVITCUVOUXBM-CQSZACIVSA-N -1 3 230.311 2.518 20 30 BFEDHM CC1(C)C[C@@H](/N=C\c2ccccc2[O-])CCO1 ZINC000753885597 585271539 /nfs/dbraw/zinc/27/15/39/585271539.db2.gz UKKXGLXWMVYDQY-GQVHDAKQSA-N -1 3 233.311 2.769 20 30 BFEDHM [O-]c1ccc(C=NNc2cccc(F)c2F)nc1 ZINC000755749440 585305717 /nfs/dbraw/zinc/30/57/17/585305717.db2.gz IPSPSBASWGECTE-UHFFFAOYSA-N -1 3 249.220 2.511 20 30 BFEDHM CCCCC=NNc1nc(=O)c2ccccc2[n-]1 ZINC000755766770 585306456 /nfs/dbraw/zinc/30/64/56/585306456.db2.gz RSYKSFOOPRJBSE-UHFFFAOYSA-N -1 3 244.298 2.923 20 30 BFEDHM CCC(C)=NNc1nc(=O)c2ccccc2[n-]1 ZINC000757591227 585342708 /nfs/dbraw/zinc/34/27/08/585342708.db2.gz VDBSTOYSKJNDJQ-UHFFFAOYSA-N -1 3 230.271 2.533 20 30 BFEDHM C#CCCCC/N=C/c1c([O-])cccc1OC ZINC000758360714 585354645 /nfs/dbraw/zinc/35/46/45/585354645.db2.gz ZHQGPTZAQPPTLY-RVDMUPIBSA-N -1 3 231.295 2.623 20 30 BFEDHM Cc1cc([O-])ccc1C(=O)OCCCCC#N ZINC000758530857 585357096 /nfs/dbraw/zinc/35/70/96/585357096.db2.gz NELLZLMTPIYERG-UHFFFAOYSA-N -1 3 233.267 2.551 20 30 BFEDHM [O-]c1cccc(Cl)c1C=NOCC(F)F ZINC000758906331 585362385 /nfs/dbraw/zinc/36/23/85/585362385.db2.gz FJWJDPHATSKWES-UHFFFAOYSA-N -1 3 235.617 2.661 20 30 BFEDHM C[C@H](C[C@@H]1CCOC1)/N=C/c1ccccc1[O-] ZINC000759643549 585377834 /nfs/dbraw/zinc/37/78/34/585377834.db2.gz MWGHZWUPLCSVGJ-BGAHDCEISA-N -1 3 233.311 2.626 20 30 BFEDHM C[C@H](C[C@@H]1CCOC1)/N=C\c1ccccc1[O-] ZINC000759643553 585377859 /nfs/dbraw/zinc/37/78/59/585377859.db2.gz MWGHZWUPLCSVGJ-OGJMLENDSA-N -1 3 233.311 2.626 20 30 BFEDHM C[C@@H](/N=C/c1ccccc1[O-])c1ccc[nH]1 ZINC000760229052 585386949 /nfs/dbraw/zinc/38/69/49/585386949.db2.gz NRXLXCRLPXEJKH-KXUVPBGPSA-N -1 3 214.268 2.900 20 30 BFEDHM COc1cccc([O-])c1/C=N\[C@@H](C)c1ccc[nH]1 ZINC000760229966 585387068 /nfs/dbraw/zinc/38/70/68/585387068.db2.gz ULRBMKOSEWNZJG-XBTXGSBDSA-N -1 3 244.294 2.909 20 30 BFEDHM [O-]c1c(O)ccc(/C=N\[C@@H]2CC23CCCC3)c1O ZINC000760989618 585403215 /nfs/dbraw/zinc/40/32/15/585403215.db2.gz DCRZFXCUWDSIHI-SHLUWWQESA-N -1 3 247.294 2.555 20 30 BFEDHM COc1cccc([O-])c1/C=N/C1CC(F)(F)C1 ZINC000760989828 585403334 /nfs/dbraw/zinc/40/33/34/585403334.db2.gz HOFLKESQNNEANA-VIZOYTHASA-N -1 3 241.237 2.617 20 30 BFEDHM C#CCCCOC(=O)c1ccc(Cl)cc1[O-] ZINC000766865662 585508813 /nfs/dbraw/zinc/50/88/13/585508813.db2.gz NIKPFWRYFNQRIC-UHFFFAOYSA-N -1 3 238.670 2.616 20 30 BFEDHM C[C@@H]1CC(/N=C\c2ccccc2[O-])C[C@@H](C)O1 ZINC000767878624 585527161 /nfs/dbraw/zinc/52/71/61/585527161.db2.gz OPXNPTXVAWQYLX-HQAZHCQUSA-N -1 3 233.311 2.767 20 30 BFEDHM CC(N=Nc1ccccn1)c1sccc1[O-] ZINC000769776264 585563206 /nfs/dbraw/zinc/56/32/06/585563206.db2.gz HLZKKSVJYKERAG-UHFFFAOYSA-N -1 3 233.296 2.685 20 30 BFEDHM C#CC(C)(C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000769856792 585565296 /nfs/dbraw/zinc/56/52/96/585565296.db2.gz FHGDWMASSLYDIF-UHFFFAOYSA-N -1 3 245.322 2.657 20 30 BFEDHM C[C@H](C#N)CN(Cc1ccccc1[O-])C1CC1 ZINC000770505338 585575041 /nfs/dbraw/zinc/57/50/41/585575041.db2.gz QMFDNNLHURRIIR-LLVKDONJSA-N -1 3 230.311 2.516 20 30 BFEDHM C[C@@H]1CC[C@@H](OC(=O)c2ccc(C#N)[n-]2)C[C@H]1C ZINC000770991916 585586401 /nfs/dbraw/zinc/58/64/01/585586401.db2.gz KVNTWOSUBCRNAX-CKYFFXLPSA-N -1 3 246.310 2.868 20 30 BFEDHM CCCCCCC[N-]S(=O)(=O)c1ccco1 ZINC000859246379 589023712 /nfs/dbraw/zinc/02/37/12/589023712.db2.gz CJQSYFKHVYBTRA-UHFFFAOYSA-N -1 3 245.344 2.528 20 30 BFEDHM C=C(CC)CSCc1nc(C)cc(=O)[n-]1 ZINC000773281789 585634546 /nfs/dbraw/zinc/63/45/46/585634546.db2.gz HSWNQZBNWVHNBK-UHFFFAOYSA-N -1 3 224.329 2.690 20 30 BFEDHM CC(CCC1CCCC1)=NN=c1cc[n-]n1C ZINC000774414785 585658033 /nfs/dbraw/zinc/65/80/33/585658033.db2.gz JZWDMFDMVWSXLP-UHFFFAOYSA-N -1 3 234.347 2.600 20 30 BFEDHM CC(C)(C#N)CCOC(=O)c1cc([O-])cs1 ZINC000776385888 585697129 /nfs/dbraw/zinc/69/71/29/585697129.db2.gz QZFFPZIETQFGSA-UHFFFAOYSA-N -1 3 239.296 2.550 20 30 BFEDHM [O-]c1cc(O)ccc1C=NOC1CCCCC1 ZINC000777459504 585712986 /nfs/dbraw/zinc/71/29/86/585712986.db2.gz QOGMNVYXKYMLST-UHFFFAOYSA-N -1 3 235.283 2.781 20 30 BFEDHM CC(C)CN(CCC#N)Cc1ccccc1[O-] ZINC000778991621 585743404 /nfs/dbraw/zinc/74/34/04/585743404.db2.gz BAMYRCKULBUVAS-UHFFFAOYSA-N -1 3 232.327 2.764 20 30 BFEDHM C[C@@H]1CCC[C@H](OC(=O)c2ccc(C#N)[n-]2)[C@H]1C ZINC000779276761 585749799 /nfs/dbraw/zinc/74/97/99/585749799.db2.gz ZJTMKSZJMVPIKG-NRUUGDAUSA-N -1 3 246.310 2.868 20 30 BFEDHM C#CCCCCCC(=O)Nc1ccccc1[O-] ZINC000780329080 585777952 /nfs/dbraw/zinc/77/79/52/585777952.db2.gz XKPPMMLTAWSKBT-UHFFFAOYSA-N -1 3 231.295 2.914 20 30 BFEDHM Cc1cccc(OC(=O)c2ccc(C#N)[n-]2)c1F ZINC000780665323 585783043 /nfs/dbraw/zinc/78/30/43/585783043.db2.gz KVCWYXSRTGFVGO-UHFFFAOYSA-N -1 3 244.225 2.553 20 30 BFEDHM O=C(N[O-])[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000782169051 585808937 /nfs/dbraw/zinc/80/89/37/585808937.db2.gz BZLVBGWKCIAGLJ-IUCAKERBSA-N -1 3 246.093 2.602 20 30 BFEDHM CC1(C)CCC[C@H]1NN=Cc1cccc(O)c1[O-] ZINC000782290577 585814032 /nfs/dbraw/zinc/81/40/32/585814032.db2.gz ZERRVFARQXCUQI-GFCCVEGCSA-N -1 3 248.326 2.600 20 30 BFEDHM Cc1cccc(COC(=O)c2ccc(C#N)[n-]2)c1 ZINC000786071883 585886623 /nfs/dbraw/zinc/88/66/23/585886623.db2.gz URLWVCMXZIJFCC-UHFFFAOYSA-N -1 3 240.262 2.552 20 30 BFEDHM CC(C)(C)CCCOC(=O)c1ccc(C#N)[n-]1 ZINC000786091831 585887091 /nfs/dbraw/zinc/88/70/91/585887091.db2.gz FMCMZYFTPOKBBF-UHFFFAOYSA-N -1 3 234.299 2.869 20 30 BFEDHM C#C[C@H](CCC)/N=C/c1c([O-])cccc1OC ZINC000790098272 585957947 /nfs/dbraw/zinc/95/79/47/585957947.db2.gz FYFIQJCYTXBNLB-HGLKBHAMSA-N -1 3 231.295 2.622 20 30 BFEDHM CC[C@@H](C)NN=C(C)c1ccc([O-])cc1F ZINC000790184202 585959909 /nfs/dbraw/zinc/95/99/09/585959909.db2.gz ZLPBLEPQNLOFOG-MRVPVSSYSA-N -1 3 224.279 2.643 20 30 BFEDHM Cc1cc(C(=O)/C=C\c2cocn2)ccc1[O-] ZINC000790215085 585961389 /nfs/dbraw/zinc/96/13/89/585961389.db2.gz GCCBBDFXBNJWBB-HYXAFXHYSA-N -1 3 229.235 2.585 20 30 BFEDHM CSCCON=C(C)c1cc(C)ccc1[O-] ZINC000794572907 586044566 /nfs/dbraw/zinc/04/45/66/586044566.db2.gz LPBSTZFFWPGPLX-UHFFFAOYSA-N -1 3 239.340 2.804 20 30 BFEDHM [O-]c1c(F)cccc1CN=Nc1cccc(F)n1 ZINC000795005701 586064624 /nfs/dbraw/zinc/06/46/24/586064624.db2.gz CTBZHVMZSPSLSC-UHFFFAOYSA-N -1 3 249.220 2.511 20 30 BFEDHM COc1cccc([O-])c1/C=N/CC1(CC#N)CC1 ZINC000797397590 586126103 /nfs/dbraw/zinc/12/61/03/586126103.db2.gz FLQHLMHAMPFNRJ-CXUHLZMHSA-N -1 3 244.294 2.514 20 30 BFEDHM C=C(C)CCOC(=O)c1c(C)[n-]nc1C(C)C ZINC000803455494 586354411 /nfs/dbraw/zinc/35/44/11/586354411.db2.gz MKUFOGLUMUGXKG-UHFFFAOYSA-N -1 3 236.315 2.965 20 30 BFEDHM C=C(C)CCOC(=O)c1c(C)n[n-]c1C(C)C ZINC000803455494 586354413 /nfs/dbraw/zinc/35/44/13/586354413.db2.gz MKUFOGLUMUGXKG-UHFFFAOYSA-N -1 3 236.315 2.965 20 30 BFEDHM COc1cccc([O-])c1/C=N\[C@H](C)C(F)(F)F ZINC000806551442 586413847 /nfs/dbraw/zinc/41/38/47/586413847.db2.gz LEOGLZPDEAJABW-YBNGVGCVSA-N -1 3 247.216 2.771 20 30 BFEDHM C=CCCOC(=O)c1ccc([O-])c(CC)c1 ZINC000811305889 586557828 /nfs/dbraw/zinc/55/78/28/586557828.db2.gz XEVPMHCFBBYWQD-UHFFFAOYSA-N -1 3 220.268 2.688 20 30 BFEDHM [O-]c1ccccc1/C=N\CCCc1nccs1 ZINC000811625016 586562180 /nfs/dbraw/zinc/56/21/80/586562180.db2.gz ALHZKDIIIJCGBV-UVTDQMKNSA-N -1 3 246.335 2.900 20 30 BFEDHM CCON=Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000811636848 586562424 /nfs/dbraw/zinc/56/24/24/586562424.db2.gz MHBHCVJGAZROCU-UHFFFAOYSA-N -1 3 233.189 2.781 20 30 BFEDHM C=C(C)CNN=C(C)c1cc(Cl)ccc1[O-] ZINC000811650736 586562941 /nfs/dbraw/zinc/56/29/41/586562941.db2.gz NLWDKPKZNYAJHS-UHFFFAOYSA-N -1 3 238.718 2.935 20 30 BFEDHM CC(=NOC/C=C/Cl)c1ccc([O-])cc1 ZINC000811670600 586565321 /nfs/dbraw/zinc/56/53/21/586565321.db2.gz WMSAUYLYDREUSU-NFZWCGNOSA-N -1 3 225.675 2.885 20 30 BFEDHM CC(=NOCC1CC1)c1cc(C)ccc1[O-] ZINC000814242292 586619378 /nfs/dbraw/zinc/61/93/78/586619378.db2.gz XFWIZYQSDRHNEM-UHFFFAOYSA-N -1 3 219.284 2.851 20 30 BFEDHM CCON=Cc1ccc2ccccc2c1[O-] ZINC000814788295 586634171 /nfs/dbraw/zinc/63/41/71/586634171.db2.gz NBNKPVLFBOMWPJ-UHFFFAOYSA-N -1 3 215.252 2.916 20 30 BFEDHM CC(F)(F)C(=O)[N-][C@](C)(C#N)C1CCCCC1 ZINC000815622370 586689272 /nfs/dbraw/zinc/68/92/72/586689272.db2.gz SWFHKWNLLAUKAR-LLVKDONJSA-N -1 3 244.285 2.620 20 30 BFEDHM C[C@@H]1CC[C@H](C)[C@@H](OC(=O)c2ccc(C#N)[n-]2)C1 ZINC000816226653 586714256 /nfs/dbraw/zinc/71/42/56/586714256.db2.gz SOICXFOFGLZSFM-NRUUGDAUSA-N -1 3 246.310 2.868 20 30 BFEDHM C=CCC1(C(=O)[N-]OC[C@@H](C)CC)CCC1 ZINC000816980406 586775026 /nfs/dbraw/zinc/77/50/26/586775026.db2.gz KFYMPFGAHZORCS-NSHDSACASA-N -1 3 225.332 2.827 20 30 BFEDHM [O-]c1ccccc1/C=N\CCCC1(O)CCC1 ZINC000817706961 586818574 /nfs/dbraw/zinc/81/85/74/586818574.db2.gz GQCXEVHQVWZVOP-PTNGSMBKSA-N -1 3 233.311 2.506 20 30 BFEDHM C=C[C@H](CC)CC(=O)[N-]OC[C@H](C)CC ZINC000820279520 587040310 /nfs/dbraw/zinc/04/03/10/587040310.db2.gz OTMNZFKOLHWNHA-GHMZBOCLSA-N -1 3 213.321 2.683 20 30 BFEDHM CC1(C)CC[C@H](OC(=O)c2ccc(C#N)[n-]2)C1 ZINC000820584163 587056129 /nfs/dbraw/zinc/05/61/29/587056129.db2.gz RCUOAFMZJFBTDB-JTQLQIEISA-N -1 3 232.283 2.622 20 30 BFEDHM C=CCC1(C(=O)[N-]OCC)CCCCC1 ZINC000822342585 587163566 /nfs/dbraw/zinc/16/35/66/587163566.db2.gz XAJIQVOHIJWZCJ-UHFFFAOYSA-N -1 3 211.305 2.581 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)C/C=C\Cc1ccccc1 ZINC000824232291 587261626 /nfs/dbraw/zinc/26/16/26/587261626.db2.gz HXUGGOXFCVXNHP-WSROAFLRSA-N -1 3 245.322 2.798 20 30 BFEDHM C=C[C@@H](CC)CC(=O)[N-]Oc1ccc(F)cc1 ZINC000824623956 587279645 /nfs/dbraw/zinc/27/96/45/587279645.db2.gz YKYLLQDHZIAPGA-JTQLQIEISA-N -1 3 237.274 2.838 20 30 BFEDHM Cc1cc([O-])c(CNC[C@@H](C)C#N)cc1Cl ZINC000825502454 587321352 /nfs/dbraw/zinc/32/13/52/587321352.db2.gz YCHTWCPLJWWEHB-QMMMGPOBSA-N -1 3 238.718 2.603 20 30 BFEDHM Cc1cc([O-])c(CNC[C@H](C)C#N)cc1Cl ZINC000825502453 587321978 /nfs/dbraw/zinc/32/19/78/587321978.db2.gz YCHTWCPLJWWEHB-MRVPVSSYSA-N -1 3 238.718 2.603 20 30 BFEDHM C=CCN(C/C=C(\C)C(=O)[O-])Cc1ccccc1 ZINC000825682260 587331733 /nfs/dbraw/zinc/33/17/33/587331733.db2.gz VORFXODQSCLWDK-UKTHLTGXSA-N -1 3 245.322 2.706 20 30 BFEDHM C=CCC1(C(=O)[N-]OC/C=C\Cl)CCCC1 ZINC000832272390 587652684 /nfs/dbraw/zinc/65/26/84/587652684.db2.gz JSYVFKJTCQSBBR-UITAMQMPSA-N -1 3 243.734 2.923 20 30 BFEDHM C=CCC1(C(=O)[N-]OC2CCC2)CCCC1 ZINC000832332172 587654502 /nfs/dbraw/zinc/65/45/02/587654502.db2.gz FCZDHQQOPMURQR-UHFFFAOYSA-N -1 3 223.316 2.723 20 30 BFEDHM C=CCN(CC=C)Cc1cccc(NC(=O)[O-])c1 ZINC000833787938 587731335 /nfs/dbraw/zinc/73/13/35/587731335.db2.gz ILMSKKWLZPSPNK-UHFFFAOYSA-N -1 3 246.310 2.951 20 30 BFEDHM CC(C)ON=Cc1c([O-])cccc1Cl ZINC000835000088 587776198 /nfs/dbraw/zinc/77/61/98/587776198.db2.gz JXJRTEZWRUYOGG-UHFFFAOYSA-N -1 3 213.664 2.805 20 30 BFEDHM C=CCO[N-]C(=O)CCc1ccc([C@H]2C[C@H]2C)o1 ZINC000837043027 587848938 /nfs/dbraw/zinc/84/89/38/587848938.db2.gz JNMSUNRUBOZJAH-PWSUYJOCSA-N -1 3 249.310 2.569 20 30 BFEDHM C=CCO[N-]C(=O)CCCSC(C)(C)C ZINC000837045910 587849690 /nfs/dbraw/zinc/84/96/90/587849690.db2.gz CPXNXPDEPILFAP-UHFFFAOYSA-N -1 3 231.361 2.532 20 30 BFEDHM C=CCO[N-]C(=O)C[C@@H](C)CCCCC ZINC000837047902 587850862 /nfs/dbraw/zinc/85/08/62/587850862.db2.gz KICXBWCURVVDHY-NSHDSACASA-N -1 3 213.321 2.827 20 30 BFEDHM C=CCO[N-]C(=O)CCCC[C@H](C)CC ZINC000837048034 587850889 /nfs/dbraw/zinc/85/08/89/587850889.db2.gz JDQBXUNXZXHWOJ-LLVKDONJSA-N -1 3 213.321 2.827 20 30 BFEDHM C=CCO[N-]C(=O)CCCC[C@@H](C)CC ZINC000837048035 587851325 /nfs/dbraw/zinc/85/13/25/587851325.db2.gz JDQBXUNXZXHWOJ-NSHDSACASA-N -1 3 213.321 2.827 20 30 BFEDHM CC(NN=c1[n-]cncc1Cl)=C1CC1(F)F ZINC000841637145 587964083 /nfs/dbraw/zinc/96/40/83/587964083.db2.gz GTZRPZFCLLEAQT-LURJTMIESA-N -1 3 246.648 2.573 20 30 BFEDHM CC(NN=c1[n-]cc(F)cc1F)=C1CC1(F)F ZINC000841643039 587965961 /nfs/dbraw/zinc/96/59/61/587965961.db2.gz FYWHHRFTUBXHJQ-SSDOTTSWSA-N -1 3 247.195 2.803 20 30 BFEDHM C[C@@H]1SCC[C@@H]1/N=C\c1ccccc1[O-] ZINC000843265212 588096417 /nfs/dbraw/zinc/09/64/17/588096417.db2.gz VJKGPTCNNMSBFG-WZHYOUIESA-N -1 3 221.325 2.705 20 30 BFEDHM C[C@@H]1SCC[C@@H]1/N=C/c1ccccc1[O-] ZINC000843265214 588096729 /nfs/dbraw/zinc/09/67/29/588096729.db2.gz VJKGPTCNNMSBFG-YJQMCFEWSA-N -1 3 221.325 2.705 20 30 BFEDHM CO[C@@H]1CCCC[C@H]1/N=C\c1ccccc1[O-] ZINC000844270332 588178345 /nfs/dbraw/zinc/17/83/45/588178345.db2.gz GUFCTVKLSUKBRU-XBGOXGAMSA-N -1 3 233.311 2.769 20 30 BFEDHM C=C[C@@H](C)ON=C([O-])Nc1ccc(C)cc1F ZINC000844482131 588199176 /nfs/dbraw/zinc/19/91/76/588199176.db2.gz LCCGFLZSNVNTCJ-SECBINFHSA-N -1 3 238.262 2.762 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ccc(C)cc1F ZINC000844482131 588199178 /nfs/dbraw/zinc/19/91/78/588199178.db2.gz LCCGFLZSNVNTCJ-SECBINFHSA-N -1 3 238.262 2.762 20 30 BFEDHM C=C[C@H](C)ON=C([O-])Nc1cccc(CC)c1 ZINC000844484885 588199478 /nfs/dbraw/zinc/19/94/78/588199478.db2.gz KGPHNVGSEDJBLS-JTQLQIEISA-N -1 3 234.299 2.877 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)Nc1cccc(CC)c1 ZINC000844484885 588199479 /nfs/dbraw/zinc/19/94/79/588199479.db2.gz KGPHNVGSEDJBLS-JTQLQIEISA-N -1 3 234.299 2.877 20 30 BFEDHM C=C[C@@H](C)ON=C([O-])Nc1ccc(F)c(C)c1 ZINC000844532898 588200769 /nfs/dbraw/zinc/20/07/69/588200769.db2.gz WBYOHCMCBXAOKQ-SECBINFHSA-N -1 3 238.262 2.762 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ccc(F)c(C)c1 ZINC000844532898 588200771 /nfs/dbraw/zinc/20/07/71/588200771.db2.gz WBYOHCMCBXAOKQ-SECBINFHSA-N -1 3 238.262 2.762 20 30 BFEDHM C=C[C@@H](C)ON=C([O-])Nc1cccc(C)c1F ZINC000844604015 588207777 /nfs/dbraw/zinc/20/77/77/588207777.db2.gz FXAQXHQPXBCPRS-SECBINFHSA-N -1 3 238.262 2.762 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1cccc(C)c1F ZINC000844604015 588207778 /nfs/dbraw/zinc/20/77/78/588207778.db2.gz FXAQXHQPXBCPRS-SECBINFHSA-N -1 3 238.262 2.762 20 30 BFEDHM C=C(C)CON=Cc1cc(C)ccc1[O-] ZINC000844618724 588208620 /nfs/dbraw/zinc/20/86/20/588208620.db2.gz FZSSVCOBJSWJAV-UHFFFAOYSA-N -1 3 205.257 2.627 20 30 BFEDHM C=C[C@@H](C)ON=C([O-])Nc1cc(C2CC2)ccn1 ZINC000844667628 588212836 /nfs/dbraw/zinc/21/28/36/588212836.db2.gz RSTAJTUUCTVUHL-SECBINFHSA-N -1 3 247.298 2.587 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1cc(C2CC2)ccn1 ZINC000844667628 588212837 /nfs/dbraw/zinc/21/28/37/588212837.db2.gz RSTAJTUUCTVUHL-SECBINFHSA-N -1 3 247.298 2.587 20 30 BFEDHM C=C[C@H](C)ON=C([O-])N1C[C@H](C)c2ccccc21 ZINC000845620521 588237205 /nfs/dbraw/zinc/23/72/05/588237205.db2.gz UGSYFDLBPWGBRG-QWRGUYRKSA-N -1 3 246.310 2.826 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)N1C[C@H](C)c2ccccc21 ZINC000845620521 588237206 /nfs/dbraw/zinc/23/72/06/588237206.db2.gz UGSYFDLBPWGBRG-QWRGUYRKSA-N -1 3 246.310 2.826 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)CCCCCCC ZINC000846545558 588269883 /nfs/dbraw/zinc/26/98/83/588269883.db2.gz XNCDHHHLRNPLDL-NSHDSACASA-N -1 3 213.321 2.969 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)CCC1CCCC1 ZINC000846541582 588273026 /nfs/dbraw/zinc/27/30/26/588273026.db2.gz ZRJINWWXJRYGCA-JTQLQIEISA-N -1 3 211.305 2.579 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H]1CCc2ccccc21 ZINC000846544367 588273613 /nfs/dbraw/zinc/27/36/13/588273613.db2.gz GKWNMXWRTNUQHX-DGCLKSJQSA-N -1 3 245.322 2.729 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)CCCCCCC(C)=O ZINC000846548326 588274964 /nfs/dbraw/zinc/27/49/64/588274964.db2.gz NLTGDRJHBCJZFC-LBPRGKRZSA-N -1 3 241.331 2.538 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)CCCc1ccc(C)cc1 ZINC000846550319 588275483 /nfs/dbraw/zinc/27/54/83/588275483.db2.gz OEMMWLXREQIBEZ-CYBMUJFWSA-N -1 3 247.338 2.940 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccc(C)s1 ZINC000846552592 588276089 /nfs/dbraw/zinc/27/60/89/588276089.db2.gz LCTCNWMSQRMWRJ-VIFPVBQESA-N -1 3 239.340 2.611 20 30 BFEDHM C=CCCCCCNC(=O)c1cccc(O)c1[O-] ZINC000848293422 588371394 /nfs/dbraw/zinc/37/13/94/588371394.db2.gz KXFHTVAMRSLFNA-UHFFFAOYSA-N -1 3 249.310 2.574 20 30 BFEDHM CCc1cccc(C=NOCC2CC2)c1[O-] ZINC000848410549 588379841 /nfs/dbraw/zinc/37/98/41/588379841.db2.gz QJLIEZFNZZUIJZ-UHFFFAOYSA-N -1 3 219.284 2.715 20 30 BFEDHM [O-]c1ccccc1/C=N\[C@@H]1COC2(CCC2)C1 ZINC000849172164 588459781 /nfs/dbraw/zinc/45/97/81/588459781.db2.gz NEHDEAOQNFZVNT-ZENNRRHLSA-N -1 3 231.295 2.523 20 30 BFEDHM CC[C@H](/N=C/c1ccccc1[O-])C1CC1 ZINC000849172555 588460046 /nfs/dbraw/zinc/46/00/46/588460046.db2.gz UVGLOGUQZNMLQV-IGVUGNCQSA-N -1 3 203.285 3.000 20 30 BFEDHM CC(C)c1ncc(-c2ccc([O-])cc2C#N)n1C ZINC000863975701 589331681 /nfs/dbraw/zinc/33/16/81/589331681.db2.gz XGIJJNJBBJLVAV-UHFFFAOYSA-N -1 3 241.294 2.788 20 30 BFEDHM [O-]c1ccccc1/C=N\CC[C@H]1CCCOC1 ZINC000864344868 589354092 /nfs/dbraw/zinc/35/40/92/589354092.db2.gz ISSOYEBUUODXKL-DYTQJMLRSA-N -1 3 233.311 2.628 20 30 BFEDHM CCC(F)(F)C/N=C/c1c([O-])cccc1OC ZINC000864345994 589354209 /nfs/dbraw/zinc/35/42/09/589354209.db2.gz LQCHATKUMKDNGJ-VIZOYTHASA-N -1 3 243.253 2.865 20 30 BFEDHM [O-]c1ccccc1/C=N\[C@@H]1C[C@H]1C1CCOCC1 ZINC000864348212 589354519 /nfs/dbraw/zinc/35/45/19/589354519.db2.gz HEOFEOCNFRRIHD-IYFMVNHVSA-N -1 3 245.322 2.626 20 30 BFEDHM CC/C(C)=C(/C)C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870692005 589684888 /nfs/dbraw/zinc/68/48/88/589684888.db2.gz VJJKUKKPHSYJQS-KHPPLWFESA-N -1 3 244.294 2.715 20 30 BFEDHM Cc1ccc(C=NO[C@H]2CCCCO2)c([O-])c1 ZINC000872360377 589918811 /nfs/dbraw/zinc/91/88/11/589918811.db2.gz KANMQOOIYWTYMW-ZDUSSCGKSA-N -1 3 235.283 2.578 20 30 BFEDHM CC(=NOC1CCC1)c1cc([O-])ccc1F ZINC000872377376 589926134 /nfs/dbraw/zinc/92/61/34/589926134.db2.gz ZULYIPHVIGDZAW-UHFFFAOYSA-N -1 3 223.247 2.824 20 30 BFEDHM CCCON=C(C)c1cccc([O-])c1F ZINC000872383348 589928750 /nfs/dbraw/zinc/92/87/50/589928750.db2.gz CHYNVHLSUJEWJR-UHFFFAOYSA-N -1 3 211.236 2.682 20 30 BFEDHM C=C(Cl)CNCc1c([O-])cccc1Cl ZINC000124491056 590031709 /nfs/dbraw/zinc/03/17/09/590031709.db2.gz IWJAHWQRRLSRHN-UHFFFAOYSA-N -1 3 232.110 2.888 20 30 BFEDHM C=CC(C)(C)CC(=O)[N-]OC[C@@H](C)CC ZINC000880091444 590923343 /nfs/dbraw/zinc/92/33/43/590923343.db2.gz WINSRFBGHJRCAC-JTQLQIEISA-N -1 3 213.321 2.683 20 30 BFEDHM [O-]c1ccccc1/C=N/C[C@@H]1C=CCC1 ZINC000887268288 592473589 /nfs/dbraw/zinc/47/35/89/592473589.db2.gz HVBKENMYBWSTLK-ZTMOJVSCSA-N -1 3 201.269 2.777 20 30 BFEDHM C=CCCCOc1cc(-c2nnn[n-]2)ccc1C ZINC000819739634 607028850 /nfs/dbraw/zinc/02/88/50/607028850.db2.gz BFVDSYRGECJUHQ-UHFFFAOYSA-N -1 3 244.298 2.520 20 30 BFEDHM C=CCCCOc1cc(-c2nn[n-]n2)ccc1C ZINC000819739634 607028852 /nfs/dbraw/zinc/02/88/52/607028852.db2.gz BFVDSYRGECJUHQ-UHFFFAOYSA-N -1 3 244.298 2.520 20 30 BFEDHM CC1(C#N)CCN(Cc2ccc([O-])c(F)c2)CC1 ZINC000893472016 634519682 /nfs/dbraw/zinc/51/96/82/634519682.db2.gz XNCCULNHPDDRLT-UHFFFAOYSA-N -1 3 248.301 2.657 20 30 BFEDHM C=C[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000187598094 635307108 /nfs/dbraw/zinc/30/71/08/635307108.db2.gz GBMUQMMLPVNFOI-MRVPVSSYSA-N -1 3 246.266 2.709 20 30 BFEDHM C=C[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000187598094 635307113 /nfs/dbraw/zinc/30/71/13/635307113.db2.gz GBMUQMMLPVNFOI-MRVPVSSYSA-N -1 3 246.266 2.709 20 30 BFEDHM CCOC(=O)[N-]OCCCCC1(C#N)CCC1 ZINC000902754815 637330651 /nfs/dbraw/zinc/33/06/51/637330651.db2.gz GFPWMPNOWJDICP-UHFFFAOYSA-N -1 3 240.303 2.528 20 30 BFEDHM CCOC([O-])=NOCCCCC1(C#N)CCC1 ZINC000902754815 637330643 /nfs/dbraw/zinc/33/06/43/637330643.db2.gz GFPWMPNOWJDICP-UHFFFAOYSA-N -1 3 240.303 2.528 20 30 BFEDHM CCCCN([O-])C(=O)C[C@H]1CCC(C)(C)CO1 ZINC000904215860 637391266 /nfs/dbraw/zinc/39/12/66/637391266.db2.gz NMVYGDBNXXEINQ-LLVKDONJSA-N -1 3 243.347 2.600 20 30 BFEDHM CCCCN([O-])C(=O)C[C@@H](C)c1ccco1 ZINC000904216121 637392586 /nfs/dbraw/zinc/39/25/86/637392586.db2.gz YBVSDNHOCDLGAX-SNVBAGLBSA-N -1 3 225.288 2.791 20 30 BFEDHM CCCCN([O-])C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000904216191 637393735 /nfs/dbraw/zinc/39/37/35/637393735.db2.gz ZNMFSOPDPDSNCK-WDEREUQCSA-N -1 3 239.340 2.870 20 30 BFEDHM CCCNN=C(C)c1cc(Cl)ccc1[O-] ZINC000915965173 641893210 /nfs/dbraw/zinc/89/32/10/641893210.db2.gz IUXJNPPZCMYLKJ-UHFFFAOYSA-N -1 3 226.707 2.769 20 30 BFEDHM C=CCCCOC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000735526488 643544021 /nfs/dbraw/zinc/54/40/21/643544021.db2.gz BWYGATKLSIVQHB-UHFFFAOYSA-N -1 3 246.266 2.793 20 30 BFEDHM C=CCCCOC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000735526488 643544025 /nfs/dbraw/zinc/54/40/25/643544025.db2.gz BWYGATKLSIVQHB-UHFFFAOYSA-N -1 3 246.266 2.793 20 30 BFEDHM C=C(C)CO[N-]C(=O)C[C@H]1CCCC[C@@H]1C ZINC000846539490 643680284 /nfs/dbraw/zinc/68/02/84/643680284.db2.gz IQMDGTBJINPEJE-NWDGAFQWSA-N -1 3 225.332 2.827 20 30 BFEDHM C=CCO[N-]C(=O)CCCCC(C)(C)C ZINC000837050424 645187940 /nfs/dbraw/zinc/18/79/40/645187940.db2.gz ZERGYCFPWSINLA-UHFFFAOYSA-N -1 3 213.321 2.827 20 30 BFEDHM [O-]c1ccc(C=NNCC2CCCC2)c(F)c1 ZINC000844596667 645337600 /nfs/dbraw/zinc/33/76/00/645337600.db2.gz LYMHFSXAJSOTJL-UHFFFAOYSA-N -1 3 236.290 2.645 20 30 BFEDHM C=CCCO[N-]C(=O)CC1CCCCC1 ZINC000856028092 645533097 /nfs/dbraw/zinc/53/30/97/645533097.db2.gz AYIHURPYYXHWEL-UHFFFAOYSA-N -1 3 211.305 2.581 20 30 BFEDHM C=C[C@@H](CC)CC(=O)[N-]OCc1ccccc1 ZINC000929437971 646119906 /nfs/dbraw/zinc/11/99/06/646119906.db2.gz OXDIPTRWGZTMJX-LBPRGKRZSA-N -1 3 233.311 2.837 20 30 BFEDHM C=CC[C@@H](C)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000715022327 712503892 /nfs/dbraw/zinc/50/38/92/712503892.db2.gz HZMLOAKVLHDHOS-BXUZGUMPSA-N -1 3 245.322 2.635 20 30 BFEDHM C=C(C)CO[N-]C(=O)[C@@]1(C)CCC[C@H]1CC ZINC000880548346 712633808 /nfs/dbraw/zinc/63/38/08/712633808.db2.gz QDJQZQATUAAYJL-YPMHNXCESA-N -1 3 225.332 2.827 20 30 BFEDHM C=CCCC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000717675517 712664128 /nfs/dbraw/zinc/66/41/28/712664128.db2.gz JTTOLPZVOGBDQI-UHFFFAOYSA-N -1 3 249.310 2.572 20 30 BFEDHM CCCCCCN([O-])C(=O)[C@@H]1CCC[C@@H]1OC ZINC001161826731 964774050 /nfs/dbraw/zinc/77/40/50/964774050.db2.gz KUCASWCOUPONJM-NEPJUHHUSA-N -1 3 243.347 2.600 20 30 BFEDHM N#C[C@H]1CC[C@@H](Oc2cccc([O-])c2F)C1 ZINC001233867427 965597528 /nfs/dbraw/zinc/59/75/28/965597528.db2.gz FAJZNRHGWABOFT-DTWKUNHWSA-N -1 3 221.231 2.602 20 30 BFEDHM N#CCCCCc1ccc([O-])c(F)c1F ZINC001250065405 967327604 /nfs/dbraw/zinc/32/76/04/967327604.db2.gz CTTFCKFRBXHOPZ-UHFFFAOYSA-N -1 3 211.211 2.907 20 30 BFEDHM CCC#C[C@H](C)Oc1[n-]c(=S)ncc1CC ZINC001227061415 975247108 /nfs/dbraw/zinc/24/71/08/975247108.db2.gz JBNXILGTHIGZOO-VIFPVBQESA-N -1 3 236.340 2.508 20 30 BFEDHM CC#C[C@H](CC)Oc1[n-]c(=S)ncc1CC ZINC001227064425 975248117 /nfs/dbraw/zinc/24/81/17/975248117.db2.gz UKBRNLLFZOABNB-JTQLQIEISA-N -1 3 236.340 2.508 20 30 BFEDHM CCC[C@@H](C)Oc1cc([O-])cc(C#N)c1 ZINC001234142106 978781127 /nfs/dbraw/zinc/78/11/27/978781127.db2.gz UBLSIOAGKAQSEP-SECBINFHSA-N -1 3 205.257 2.831 20 30 BFEDHM CCC[C@H](C)Oc1cc([O-])cc(C#N)c1 ZINC001234142108 978781290 /nfs/dbraw/zinc/78/12/90/978781290.db2.gz UBLSIOAGKAQSEP-VIFPVBQESA-N -1 3 205.257 2.831 20 30 BFEDHM C[C@@H](Oc1nc2sccc2[n-]1)[C@H](C)S ZINC001234847640 978913450 /nfs/dbraw/zinc/91/34/50/978913450.db2.gz KKQCBIQUBUHDSJ-RITPCOANSA-N -1 3 228.342 2.710 20 30 BFEDHM CCCCN([O-])C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001184314794 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ZINC001227092732 975264033 /nfs/dbraw/zinc/26/40/33/975264033.db2.gz CSQNFXKKKCODHK-SRVKXCTJSA-N -1 3 248.326 2.942 20 30 BFEDHM C#C[C@H](Oc1ccc(=O)[n-]n1)[C@H](CC)CCCC ZINC001227094167 975268195 /nfs/dbraw/zinc/26/81/95/975268195.db2.gz CDAAHMMMDPGQGW-NEPJUHHUSA-N -1 3 248.326 2.779 20 30 BFEDHM COC1=CC[C@H](Oc2cc(C#N)ccc2[O-])CC1 ZINC001227351385 975373187 /nfs/dbraw/zinc/37/31/87/975373187.db2.gz VHGVUGYILVSLJP-LBPRGKRZSA-N -1 3 245.278 2.725 20 30 BFEDHM C#C[C@H](CC(C)C)Oc1ncc(Cl)cc1[O-] ZINC001227982344 975826700 /nfs/dbraw/zinc/82/67/00/975826700.db2.gz CLZMHRYYOFEWIQ-SNVBAGLBSA-N -1 3 239.702 2.867 20 30 BFEDHM C#C[C@@H](C)Oc1cccc([O-])c1Br ZINC001229140072 976770690 /nfs/dbraw/zinc/77/06/90/976770690.db2.gz SUXVTQVXKDFLQD-SSDOTTSWSA-N -1 3 241.084 2.555 20 30 BFEDHM C=CC[C@H](Oc1nc(C)[n-]c(=O)c1C)C(C)C ZINC001229689744 976952012 /nfs/dbraw/zinc/95/20/12/976952012.db2.gz MKZUNLDQEGEQEK-NSHDSACASA-N -1 3 236.315 2.779 20 30 BFEDHM CCOc1cccc(F)c1[N-]c1oncc1C#N ZINC001175223023 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/nfs/dbraw/zinc/61/96/58/388619658.db2.gz CCARGSNMUUGYDI-CYBMUJFWSA-N -1 3 249.310 2.620 20 30 BFEDHM C=C1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000336512168 134148872 /nfs/dbraw/zinc/14/88/72/134148872.db2.gz YQFSCUOQPKUCFV-UHFFFAOYSA-N -1 3 221.275 2.683 20 30 BFEDHM Cc1ccc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000046439260 134611832 /nfs/dbraw/zinc/61/18/32/134611832.db2.gz BSJIFDATEVXSPN-JTQLQIEISA-N -1 3 242.303 2.942 20 30 BFEDHM N#CC(=C([O-])c1ccsc1)c1ccccn1 ZINC000041493255 135219524 /nfs/dbraw/zinc/21/95/24/135219524.db2.gz XJYCVIJQSFPUOV-JTQLQIEISA-N -1 3 228.276 2.633 20 30 BFEDHM C=C[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263389757 135351312 /nfs/dbraw/zinc/35/13/12/135351312.db2.gz DWWSPLNSIQMWRI-CQSZACIVSA-N -1 3 245.322 2.925 20 30 BFEDHM C#CCCCCC(=O)Nc1c(C)cccc1[O-] ZINC000183069946 135541728 /nfs/dbraw/zinc/54/17/28/135541728.db2.gz MOWWBAXSGXRRPG-UHFFFAOYSA-N -1 3 231.295 2.833 20 30 BFEDHM C=CCCCN(C)C(=O)c1ccc([O-])c(CC)c1 ZINC000292054729 135653920 /nfs/dbraw/zinc/65/39/20/135653920.db2.gz YUQRRKCUBIXTQE-UHFFFAOYSA-N -1 3 247.338 2.993 20 30 BFEDHM CCN(CC#N)Cc1cc(Cl)cc(C)c1[O-] ZINC000271721257 397971208 /nfs/dbraw/zinc/97/12/08/397971208.db2.gz KDSQRLBBQNQQAI-UHFFFAOYSA-N -1 3 238.718 2.700 20 30 BFEDHM C=CCN(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000275143875 166321291 /nfs/dbraw/zinc/32/12/91/166321291.db2.gz SQKDZLQBZIGHOE-UHFFFAOYSA-N -1 3 245.322 2.529 20 30 BFEDHM C=CCN(CC=C)Cc1cccc(C(=O)[O-])c1 ZINC000011958328 166337970 /nfs/dbraw/zinc/33/79/70/166337970.db2.gz CQPSCXFDYCGFKR-UHFFFAOYSA-N -1 3 231.295 2.559 20 30 BFEDHM C=C(C)CN(C)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000652430560 411241952 /nfs/dbraw/zinc/24/19/52/411241952.db2.gz NJBHHIRCGLUEAZ-JTQLQIEISA-N -1 3 237.299 2.855 20 30 BFEDHM CCn1nccc1/C=C/C(=O)c1cccc([O-])c1 ZINC000096854149 172258429 /nfs/dbraw/zinc/25/84/29/172258429.db2.gz YEDNJVCDURGGGA-VOTSOKGWSA-N -1 3 242.278 2.505 20 30 BFEDHM CCCCCCN([O-])C(=O)CCSC ZINC000904205542 584852572 /nfs/dbraw/zinc/85/25/72/584852572.db2.gz MIKUBFCAXRMBBZ-UHFFFAOYSA-N -1 3 219.350 2.538 20 30 BFEDHM C=CCCCCNC(=O)c1ccc([O-])c(C)c1 ZINC000274662866 487813611 /nfs/dbraw/zinc/81/36/11/487813611.db2.gz GTSANOVUPIZPPS-UHFFFAOYSA-N -1 3 233.311 2.787 20 30 BFEDHM C=C(C)CO[N-]C(=O)C1(C)CCCCC1 ZINC000846535020 588271211 /nfs/dbraw/zinc/27/12/11/588271211.db2.gz MUFGELBVTKCMJE-UHFFFAOYSA-N -1 3 211.305 2.581 20 30 BFEDHM C=C(C)CCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000164463369 487839540 /nfs/dbraw/zinc/83/95/40/487839540.db2.gz UBTXQJNVKPGGKC-CQSZACIVSA-N -1 3 245.322 2.637 20 30 BFEDHM O=C(N[O-])[C@H]1C[C@@H]1c1c(Cl)cccc1Cl ZINC000671995886 487924262 /nfs/dbraw/zinc/92/42/62/487924262.db2.gz LSNWWERMJPPBIL-WDSKDSINSA-N -1 3 246.093 2.602 20 30 BFEDHM C=CCO[N-]C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000529470131 324308040 /nfs/dbraw/zinc/30/80/40/324308040.db2.gz TWGUZBRNIWMRFK-OLZOCXBDSA-N -1 3 249.285 2.553 20 30 BFEDHM C=CCCCCCNC(=O)c1cccc([O-])c1 ZINC000572735281 326407945 /nfs/dbraw/zinc/40/79/45/326407945.db2.gz SIYKPZMWXKHKCR-UHFFFAOYSA-N -1 3 233.311 2.868 20 30 BFEDHM C=C(CC)COc1ccc2c([O-])coc2c1 ZINC000085059193 488125198 /nfs/dbraw/zinc/12/51/98/488125198.db2.gz JDKRIIHNKPTOBY-UHFFFAOYSA-N -1 3 218.252 2.607 20 30 BFEDHM C=CCNN=Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000811650117 582481056 /nfs/dbraw/zinc/48/10/56/582481056.db2.gz MDBVASXUGCVDFY-UHFFFAOYSA-N -1 3 244.216 2.521 20 30 BFEDHM CC(=NOC/C=C/Cl)c1ccccc1[O-] ZINC000811669498 582487469 /nfs/dbraw/zinc/48/74/69/582487469.db2.gz PWRDAIWOBZASGF-KVAYVBLJSA-N -1 3 225.675 2.885 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000846551295 582658517 /nfs/dbraw/zinc/65/85/17/582658517.db2.gz RQETXLBJWDNTAP-GRYCIOLGSA-N -1 3 225.332 2.825 20 30 BFEDHM C=CCCCC(=O)Nc1ccc([O-])cc1F ZINC000180858816 534669146 /nfs/dbraw/zinc/66/91/46/534669146.db2.gz GPXREXYRPLLZEJ-UHFFFAOYSA-N -1 3 223.247 2.826 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)/C=C/C(=C/C)CC ZINC000493699647 527418943 /nfs/dbraw/zinc/41/89/43/527418943.db2.gz WIGYNXCSLGXPHX-UYERAMHISA-N -1 3 209.289 2.521 20 30 BFEDHM C=C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894005490 583273512 /nfs/dbraw/zinc/27/35/12/583273512.db2.gz HTGJAUYVUUXNGC-UHFFFAOYSA-N -1 3 239.265 2.822 20 30 BFEDHM [O-]c1ccc(F)cc1C=NOC/C=C\Cl ZINC000811669931 582487871 /nfs/dbraw/zinc/48/78/71/582487871.db2.gz LDBPFCPYYUXMQQ-HDFQWQTNSA-N -1 3 229.638 2.634 20 30 BFEDHM CC(=NOC/C=C\Cl)c1ccc(O)cc1[O-] ZINC000811670645 582488619 /nfs/dbraw/zinc/48/86/19/582488619.db2.gz XTJGCXDFWTXEDW-WVDZYLRBSA-N -1 3 241.674 2.591 20 30 BFEDHM C#CCO[N-]C(=O)/C=C\[C@]1(C)CC[C@@H](C)C1(C)C ZINC000855606479 588841502 /nfs/dbraw/zinc/84/15/02/588841502.db2.gz LZDRCNAHKSVSEY-HWETVALHSA-N -1 3 249.354 2.686 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000846551302 582658698 /nfs/dbraw/zinc/65/86/98/582658698.db2.gz RQETXLBJWDNTAP-WOPDTQHZSA-N -1 3 225.332 2.825 20 30 BFEDHM C[C@]1(C/N=C\c2ccccc2[O-])CC1(F)F ZINC000849172754 582843482 /nfs/dbraw/zinc/84/34/82/582843482.db2.gz ZFOLSIYMZJPVLE-HJCFUPBFSA-N -1 3 225.238 2.856 20 30 BFEDHM C=CCCO[N-]C(=O)C[C@H](C)c1ccccc1 ZINC000856028741 588855928 /nfs/dbraw/zinc/85/59/28/588855928.db2.gz NRQAEKXGXUTIMX-LBPRGKRZSA-N -1 3 233.311 2.804 20 30 BFEDHM C=CCCO[N-]C(=O)CCCC1CCCC1 ZINC000856031918 588856453 /nfs/dbraw/zinc/85/64/53/588856453.db2.gz CPGMKAPKSZSUEX-UHFFFAOYSA-N -1 3 225.332 2.971 20 30 BFEDHM C=CCCO[N-]C(=O)CC1=CCCCC1 ZINC000856031524 588856593 /nfs/dbraw/zinc/85/65/93/588856593.db2.gz SLMVQQYQWRGFCX-UHFFFAOYSA-N -1 3 209.289 2.501 20 30 BFEDHM C=CCCO[N-]C(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C ZINC000856034594 588857641 /nfs/dbraw/zinc/85/76/41/588857641.db2.gz IXQCCGCZEFEJLY-FPMFFAJLSA-N -1 3 245.322 2.660 20 30 BFEDHM O=C(CCCc1csc2ccccc12)N[O-] ZINC000782171980 582868876 /nfs/dbraw/zinc/86/88/76/582868876.db2.gz IBKYHOOORHXVKD-UHFFFAOYSA-N -1 3 235.308 2.729 20 30 BFEDHM C[C@H]1CCC[C@H](COC(=O)c2ccc(C#N)[n-]2)C1 ZINC000776113748 583111047 /nfs/dbraw/zinc/11/10/47/583111047.db2.gz QFZOQGIZJAISNL-QWRGUYRKSA-N -1 3 246.310 2.869 20 30 BFEDHM C=CCCO[N-]C(=O)CCCc1ccc(C)cc1 ZINC000856030392 583112995 /nfs/dbraw/zinc/11/29/95/583112995.db2.gz DSPWXXHAESPWKM-UHFFFAOYSA-N -1 3 247.338 2.942 20 30 BFEDHM C=CCCO[N-]C(=O)CC(C)(C)CCC ZINC000856034286 583114032 /nfs/dbraw/zinc/11/40/32/583114032.db2.gz DCNXULVXEFPFRX-UHFFFAOYSA-N -1 3 213.321 2.827 20 30 BFEDHM CC(C)(C#N)CNCc1cc([O-])cc(Cl)c1 ZINC000893552086 583162644 /nfs/dbraw/zinc/16/26/44/583162644.db2.gz PJGJZKFKWRJEFI-UHFFFAOYSA-N -1 3 238.718 2.685 20 30 BFEDHM Cc1ccc(NN=Cc2ccccc2[O-])nc1 ZINC000727260573 583626839 /nfs/dbraw/zinc/62/68/39/583626839.db2.gz ZHXYUICXJAXTNN-UHFFFAOYSA-N -1 3 227.267 2.542 20 30 BFEDHM Cc1ccc([O-])c(C=NOCc2ccccc2)n1 ZINC000728778290 583908886 /nfs/dbraw/zinc/90/88/86/583908886.db2.gz BSOXOOGKXRFBDR-UHFFFAOYSA-N -1 3 242.278 2.646 20 30 BFEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1ccns1 ZINC000863616336 583994025 /nfs/dbraw/zinc/99/40/25/583994025.db2.gz YXMLRXJPBGJGFL-SSDOTTSWSA-N -1 3 246.282 2.532 20 30 BFEDHM CCCCNN=C(C)c1ccc([O-])cc1F ZINC000729932713 584030311 /nfs/dbraw/zinc/03/03/11/584030311.db2.gz JGCNCBGXYQYEEM-UHFFFAOYSA-N -1 3 224.279 2.645 20 30 BFEDHM CCOc1ccc(/C=N/C/C=C/Cl)c([O-])c1 ZINC000899234181 584186479 /nfs/dbraw/zinc/18/64/79/584186479.db2.gz UXLRXLNVJJPRBT-AZFXOEIOSA-N -1 3 239.702 2.962 20 30 BFEDHM CC(=NOCC(F)F)c1ccc(F)c([O-])c1 ZINC000901216818 584402071 /nfs/dbraw/zinc/40/20/71/584402071.db2.gz HSGCDVSMPLSVTP-UHFFFAOYSA-N -1 3 233.189 2.537 20 30 BFEDHM CCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901367979 584433416 /nfs/dbraw/zinc/43/34/16/584433416.db2.gz PBTROIRYUDSDNV-UHFFFAOYSA-N -1 3 229.279 2.968 20 30 BFEDHM CC(C)[C@@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371379 584434004 /nfs/dbraw/zinc/43/40/04/584434004.db2.gz AUAOPXHWBBUCPO-SNVBAGLBSA-N -1 3 239.290 2.836 20 30 BFEDHM CC(C)(C)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901379334 584435391 /nfs/dbraw/zinc/43/53/91/584435391.db2.gz UZTHPQQGWBTUBR-UHFFFAOYSA-N -1 3 239.290 2.980 20 30 BFEDHM CC(C)(C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901379344 584435397 /nfs/dbraw/zinc/43/53/97/584435397.db2.gz VMGPFRHKDQWHDS-UHFFFAOYSA-N -1 3 225.263 2.590 20 30 BFEDHM C=C(Cl)CN[C@@H](C)CCCC(C)(C)C(=O)[O-] ZINC000902273597 584549968 /nfs/dbraw/zinc/54/99/68/584549968.db2.gz MUQCYBSDWPKNCR-JTQLQIEISA-N -1 3 247.766 2.998 20 30 BFEDHM C[C@@H](NCC1(C#N)CCC1)c1cccc([O-])c1F ZINC000903035464 584719177 /nfs/dbraw/zinc/71/91/77/584719177.db2.gz PZJWAPHFGJPKBH-SNVBAGLBSA-N -1 3 248.301 2.876 20 30 BFEDHM C[C@@H](NCC(C)(C)C#N)c1c([O-])cccc1F ZINC000903101799 584727295 /nfs/dbraw/zinc/72/72/95/584727295.db2.gz MSDUYFTVRWJXMV-SECBINFHSA-N -1 3 236.290 2.732 20 30 BFEDHM C[C@@H]1C[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904187940 584844938 /nfs/dbraw/zinc/84/49/38/584844938.db2.gz XNUCNTGTTWEJKO-SCZZXKLOSA-N -1 3 239.702 2.714 20 30 BFEDHM CCCCCCN([O-])C(=O)[C@]1(C)CC1(F)F ZINC000904207121 584846445 /nfs/dbraw/zinc/84/64/45/584846445.db2.gz RBBAQNOVSCGQTR-JTQLQIEISA-N -1 3 235.274 2.830 20 30 BFEDHM CCCCCCN([O-])C(=O)[C@H](CC)OCC ZINC000904207227 584846518 /nfs/dbraw/zinc/84/65/18/584846518.db2.gz WFWWKAXMLVTDJV-NSHDSACASA-N -1 3 231.336 2.600 20 30 BFEDHM CCCCCCN([O-])C(=O)c1nc(C)oc1C ZINC000904206749 584846629 /nfs/dbraw/zinc/84/66/29/584846629.db2.gz GNISUYOKWUDTCS-UHFFFAOYSA-N -1 3 240.303 2.703 20 30 BFEDHM CCCCN([O-])C(=O)CCc1ccsc1 ZINC000904208182 584847027 /nfs/dbraw/zinc/84/70/27/584847027.db2.gz PARTXDUCPNXTDR-UHFFFAOYSA-N -1 3 227.329 2.699 20 30 BFEDHM CCCCN([O-])C(=O)Cc1cccc(F)c1F ZINC000904210298 584847854 /nfs/dbraw/zinc/84/78/54/584847854.db2.gz KUMVLESGXKVUBL-UHFFFAOYSA-N -1 3 243.253 2.525 20 30 BFEDHM CCCCN([O-])C(=O)[C@@H](C)c1ccsc1 ZINC000904210663 584848241 /nfs/dbraw/zinc/84/82/41/584848241.db2.gz WITZFBOJYHDHAF-VIFPVBQESA-N -1 3 227.329 2.870 20 30 BFEDHM CCCCCCN([O-])C(=O)C[C@H]1CCCCO1 ZINC000904203910 584851492 /nfs/dbraw/zinc/85/14/92/584851492.db2.gz AHQCIXVWSOVSQC-GFCCVEGCSA-N -1 3 243.347 2.744 20 30 BFEDHM CCCCCCN([O-])C(=O)C[C@@H]1CCCCO1 ZINC000904203911 584851505 /nfs/dbraw/zinc/85/15/05/584851505.db2.gz AHQCIXVWSOVSQC-LBPRGKRZSA-N -1 3 243.347 2.744 20 30 BFEDHM CCCCCCN([O-])C(=O)[C@@](C)(C#N)CC ZINC000904204062 584851702 /nfs/dbraw/zinc/85/17/02/584851702.db2.gz CXDLGPIFFUEKFG-GFCCVEGCSA-N -1 3 226.320 2.724 20 30 BFEDHM CCCCCCN([O-])C(=O)CCOCC1CC1 ZINC000904204499 584851955 /nfs/dbraw/zinc/85/19/55/584851955.db2.gz MWUXWRBBCJUQEO-UHFFFAOYSA-N -1 3 243.347 2.601 20 30 BFEDHM CCCCCCN([O-])C(=O)C1CC(F)(F)C1 ZINC000904205072 584851994 /nfs/dbraw/zinc/85/19/94/584851994.db2.gz ZOBCOKKBQNNIMG-UHFFFAOYSA-N -1 3 235.274 2.830 20 30 BFEDHM CCCCCCN([O-])C(=O)c1nccs1 ZINC000904204719 584852208 /nfs/dbraw/zinc/85/22/08/584852208.db2.gz RPUOOGUAKSEHHJ-UHFFFAOYSA-N -1 3 228.317 2.555 20 30 BFEDHM CCCCCCN([O-])C(=O)CC[C@H]1CCCO1 ZINC000904205827 584852742 /nfs/dbraw/zinc/85/27/42/584852742.db2.gz UURCXXFBKXFVSU-GFCCVEGCSA-N -1 3 243.347 2.744 20 30 BFEDHM C=CCC(CC=C)C(=O)N([O-])CCCC ZINC000904212935 584855042 /nfs/dbraw/zinc/85/50/42/584855042.db2.gz YXTQQVIVPZTWCJ-UHFFFAOYSA-N -1 3 211.305 2.773 20 30 BFEDHM CCCCN([O-])C(=O)[C@H](C)c1ccccc1 ZINC000904212749 584855398 /nfs/dbraw/zinc/85/53/98/584855398.db2.gz UEUQVDVLTUNBOR-LLVKDONJSA-N -1 3 221.300 2.808 20 30 BFEDHM CCCCN([O-])C(=O)[C@@H](C)CC(F)(F)F ZINC000904214516 584855838 /nfs/dbraw/zinc/85/58/38/584855838.db2.gz BNGPXQHOFVCMMB-ZETCQYMHSA-N -1 3 227.226 2.593 20 30 BFEDHM CCCCN([O-])C(=O)[C@](C)(F)CCCC ZINC000904214629 584856272 /nfs/dbraw/zinc/85/62/72/584856272.db2.gz HDHNZGUEHHRYRM-LLVKDONJSA-N -1 3 219.300 2.923 20 30 BFEDHM COc1ccc(C(C)=NOC(C)C)c([O-])c1 ZINC000835004033 584917336 /nfs/dbraw/zinc/91/73/36/584917336.db2.gz JYHSIJMMMWKSBY-UHFFFAOYSA-N -1 3 223.272 2.550 20 30 BFEDHM C#Cc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000731866987 584930631 /nfs/dbraw/zinc/93/06/31/584930631.db2.gz MULHKHXYYBDEGF-UHFFFAOYSA-N -1 3 243.287 2.687 20 30 BFEDHM CCC(=NOC[C@@H]1CCOC1)c1ccc([O-])cc1 ZINC000788038295 584932830 /nfs/dbraw/zinc/93/28/30/584932830.db2.gz FQGPANIBGHDLNZ-LLVKDONJSA-N -1 3 249.310 2.559 20 30 BFEDHM CC(=NO[C@H]1CCCCO1)c1cc(C)ccc1[O-] ZINC000755825235 584989687 /nfs/dbraw/zinc/98/96/87/584989687.db2.gz WHIWYVVOULPDEA-AWEZNQCLSA-N -1 3 249.310 2.968 20 30 BFEDHM [O-]c1ccccc1/C=N/Cc1cccc(F)n1 ZINC000747692140 585182536 /nfs/dbraw/zinc/18/25/36/585182536.db2.gz ZGYBJHMPGBZSQF-OVCLIPMQSA-N -1 3 230.242 2.545 20 30 BFEDHM CCON=C(C)c1ccc(N2CCCC2)cc1[O-] ZINC000748251173 585189881 /nfs/dbraw/zinc/18/98/81/585189881.db2.gz SVTWBSLMPDRSMH-UHFFFAOYSA-N -1 3 248.326 2.753 20 30 BFEDHM COc1ccc(C(C)=NOCC(C)C)c([O-])c1 ZINC000749637092 585205010 /nfs/dbraw/zinc/20/50/10/585205010.db2.gz XDYJKFMKFGONOD-UHFFFAOYSA-N -1 3 237.299 2.797 20 30 BFEDHM C[C@@H](Cc1ccncc1)/N=C/c1ccccc1[O-] ZINC000749844513 585207173 /nfs/dbraw/zinc/20/71/73/585207173.db2.gz KQNOZBXDJNWYPP-OOIIIRTPSA-N -1 3 240.306 2.837 20 30 BFEDHM CCC(C)(C)CCOC(=O)c1ccc(C#N)[n-]1 ZINC000752511824 585247302 /nfs/dbraw/zinc/24/73/02/585247302.db2.gz CNPLCCLHCNCGJI-UHFFFAOYSA-N -1 3 234.299 2.869 20 30 BFEDHM C[C@@H]1CC[C@@H](OC(=O)c2ccc(C#N)[n-]2)[C@@H](C)C1 ZINC000752505718 585247375 /nfs/dbraw/zinc/24/73/75/585247375.db2.gz OVNGHMYTRKAQFB-GBIKHYSHSA-N -1 3 246.310 2.868 20 30 BFEDHM CO[C@@H]1C[C@@H](/N=C\c2ccccc2[O-])C1(C)C ZINC000753140146 585254465 /nfs/dbraw/zinc/25/44/65/585254465.db2.gz YRJDGRYUNXVEEU-CJJNDWFMSA-N -1 3 233.311 2.625 20 30 BFEDHM C=CCCCOC(=O)c1ccc([O-])c(OC)c1 ZINC000757094940 585328207 /nfs/dbraw/zinc/32/82/07/585328207.db2.gz DISZDCHAYMLCFS-UHFFFAOYSA-N -1 3 236.267 2.524 20 30 BFEDHM CC(C)CC=NNc1nc(=O)c2ccccc2[n-]1 ZINC000757591528 585342844 /nfs/dbraw/zinc/34/28/44/585342844.db2.gz WCDIWHNYXUTONK-UHFFFAOYSA-N -1 3 244.298 2.779 20 30 BFEDHM CC(=NOCC(F)F)c1cc(C)ccc1[O-] ZINC000758910195 585362503 /nfs/dbraw/zinc/36/25/03/585362503.db2.gz ITISEPHWSDWTEQ-UHFFFAOYSA-N -1 3 229.226 2.706 20 30 BFEDHM COc1cccc([O-])c1/C=N/[C@H](C)c1ccc[nH]1 ZINC000760229964 585386885 /nfs/dbraw/zinc/38/68/85/585386885.db2.gz ULRBMKOSEWNZJG-VCBXAZPMSA-N -1 3 244.294 2.909 20 30 BFEDHM CC#CCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000760284479 585388987 /nfs/dbraw/zinc/38/89/87/585388987.db2.gz QOYPVNNHOOSGAC-UHFFFAOYSA-N -1 3 246.093 2.892 20 30 BFEDHM CCON=C(C)c1cc(Cl)ccc1[O-] ZINC000767462047 585520633 /nfs/dbraw/zinc/52/06/33/585520633.db2.gz NDQAJPSGQBMBME-UHFFFAOYSA-N -1 3 213.664 2.806 20 30 BFEDHM CCON=Cc1c([O-])ccc2ccccc21 ZINC000767465217 585520703 /nfs/dbraw/zinc/52/07/03/585520703.db2.gz VNYWNEIQKLILHC-UHFFFAOYSA-N -1 3 215.252 2.916 20 30 BFEDHM CCON=Cc1ccc(N(CC)CC)cc1[O-] ZINC000767465222 585520902 /nfs/dbraw/zinc/52/09/02/585520902.db2.gz VRLIWVHXYQVSLX-UHFFFAOYSA-N -1 3 236.315 2.609 20 30 BFEDHM CCOc1ccc(CN(CC)CCC#N)c([O-])c1 ZINC000768245319 585534632 /nfs/dbraw/zinc/53/46/32/585534632.db2.gz NVRHRSCNQFRUNU-UHFFFAOYSA-N -1 3 248.326 2.526 20 30 BFEDHM C#CCC(C)(C)C(=O)Nc1ccc([O-])cc1F ZINC000768732059 585542052 /nfs/dbraw/zinc/54/20/52/585542052.db2.gz XYRXFZXHWCFXHY-UHFFFAOYSA-N -1 3 235.258 2.519 20 30 BFEDHM C=C(C)[C@@H]1CC=C(C)C(=NN=c2cc[n-]n2C)C1 ZINC000774408138 585657556 /nfs/dbraw/zinc/65/75/56/585657556.db2.gz AHYNLDRRCIVZKW-GFCCVEGCSA-N -1 3 244.342 2.542 20 30 BFEDHM CC(C)C(=NN=c1cc[n-]n1C)C1CCCCC1 ZINC000774410815 585657672 /nfs/dbraw/zinc/65/76/72/585657672.db2.gz OQHXTEXRLWPKGG-UHFFFAOYSA-N -1 3 248.374 2.846 20 30 BFEDHM CC(C[C@@H](C)CC(C)C)=NN=c1cc[n-]n1C ZINC000774413625 585657834 /nfs/dbraw/zinc/65/78/34/585657834.db2.gz VHCOGSKDSWBZHU-NSHDSACASA-N -1 3 236.363 2.702 20 30 BFEDHM COc1ccc(C=NOC2CCCC2)c([O-])c1 ZINC000774597069 585661683 /nfs/dbraw/zinc/66/16/83/585661683.db2.gz OMZMEDWZQGLQPI-UHFFFAOYSA-N -1 3 235.283 2.694 20 30 BFEDHM [O-]c1ccccc1C=NOC1CCCC1 ZINC000774608382 585662072 /nfs/dbraw/zinc/66/20/72/585662072.db2.gz LALXXBCUGMVXTF-UHFFFAOYSA-N -1 3 205.257 2.685 20 30 BFEDHM CO[C@@H]1[C@H](C)[C@H](/N=C\c2ccccc2[O-])C1(C)C ZINC000775632134 585682059 /nfs/dbraw/zinc/68/20/59/585682059.db2.gz WEAHTIKBTNPTDP-IHXZHGFCSA-N -1 3 247.338 2.871 20 30 BFEDHM C=CCCC[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000776251617 585693840 /nfs/dbraw/zinc/69/38/40/585693840.db2.gz OVGJWKMAIAUXQY-VIFPVBQESA-N -1 3 239.340 2.928 20 30 BFEDHM C=C[C@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000781576318 585799267 /nfs/dbraw/zinc/79/92/67/585799267.db2.gz IMFVYTBFALPIMU-ZETCQYMHSA-N -1 3 221.281 2.961 20 30 BFEDHM C[C@@H]1CCC[C@H](OCCCCCC(=O)N[O-])C1 ZINC000782172102 585808988 /nfs/dbraw/zinc/80/89/88/585808988.db2.gz KMMQEGSYPVCIEI-NEPJUHHUSA-N -1 3 243.347 2.648 20 30 BFEDHM CC(C)[C@H](C(=O)N[O-])c1cccc(Cl)c1 ZINC000782173479 585809309 /nfs/dbraw/zinc/80/93/09/585809309.db2.gz RVYCCKZTWTZWKS-JTQLQIEISA-N -1 3 227.691 2.585 20 30 BFEDHM CC(C)[C@@H](C(=O)N[O-])c1cccc(Cl)c1 ZINC000782173481 585809564 /nfs/dbraw/zinc/80/95/64/585809564.db2.gz RVYCCKZTWTZWKS-SNVBAGLBSA-N -1 3 227.691 2.585 20 30 BFEDHM Cc1ccc([O-])c(C=NN[C@H]2CCCC2(C)C)n1 ZINC000782289906 585814103 /nfs/dbraw/zinc/81/41/03/585814103.db2.gz XXIMGOSUWZPQTH-ZDUSSCGKSA-N -1 3 247.342 2.598 20 30 BFEDHM CC1(C)CCC[C@H]1NN=Cc1ccc(O)cc1[O-] ZINC000782299888 585814285 /nfs/dbraw/zinc/81/42/85/585814285.db2.gz JORGNADEOMPZRC-CYBMUJFWSA-N -1 3 248.326 2.600 20 30 BFEDHM CCC(O)(CC)CC/N=C\c1ccccc1[O-] ZINC000788284028 585920814 /nfs/dbraw/zinc/92/08/14/585920814.db2.gz AJEYUZHKAKNPOG-PTNGSMBKSA-N -1 3 235.327 2.752 20 30 BFEDHM CCOc1ccc(C=NN[C@@H](C)CC)c([O-])c1 ZINC000790187883 585960472 /nfs/dbraw/zinc/96/04/72/585960472.db2.gz HQWNCOCTLFOAEQ-JTQLQIEISA-N -1 3 236.315 2.513 20 30 BFEDHM Cc1cccnc1NN=Cc1cc(F)ccc1[O-] ZINC000790192655 585960842 /nfs/dbraw/zinc/96/08/42/585960842.db2.gz AOMJGCTVVWYHAU-UHFFFAOYSA-N -1 3 245.257 2.681 20 30 BFEDHM Cc1cc(C(=O)/C=C/c2cocn2)ccc1[O-] ZINC000790215082 585961288 /nfs/dbraw/zinc/96/12/88/585961288.db2.gz GCCBBDFXBNJWBB-HWKANZROSA-N -1 3 229.235 2.585 20 30 BFEDHM C[C@@H](NN=Cc1ccccc1[O-])C(C)(C)C ZINC000793112114 586010516 /nfs/dbraw/zinc/01/05/16/586010516.db2.gz PNMKQUFNDPMNGU-SNVBAGLBSA-N -1 3 220.316 2.750 20 30 BFEDHM CC[C@H](C)CON=Cc1cc(F)ccc1[O-] ZINC000793147143 586011724 /nfs/dbraw/zinc/01/17/24/586011724.db2.gz ZKTMYCIGOZKHQE-VIFPVBQESA-N -1 3 225.263 2.928 20 30 BFEDHM Cc1cc(COC(=O)c2ccc(C#N)[n-]2)cs1 ZINC000806022094 586023765 /nfs/dbraw/zinc/02/37/65/586023765.db2.gz RAWDLSUXWYVNAE-UHFFFAOYSA-N -1 3 246.291 2.613 20 30 BFEDHM CSCCON=C(C)c1cc(F)ccc1[O-] ZINC000794572339 586044268 /nfs/dbraw/zinc/04/42/68/586044268.db2.gz OZQRQNNGGNRRRJ-UHFFFAOYSA-N -1 3 243.303 2.635 20 30 BFEDHM C[C@@H](O[N-]C(=O)C(C)(C)C)c1cccc(C#N)c1 ZINC000794720696 586047313 /nfs/dbraw/zinc/04/73/13/586047313.db2.gz NHFWBHTWWINASN-SNVBAGLBSA-N -1 3 246.310 2.713 20 30 BFEDHM C[C@@H](O[N-]C(=O)C(C)(C)C)c1ccc(C#N)cc1 ZINC000794719063 586047428 /nfs/dbraw/zinc/04/74/28/586047428.db2.gz GQNPYCSBOAASNE-SNVBAGLBSA-N -1 3 246.310 2.713 20 30 BFEDHM CC(C)C1CCC(C=NN=c2cc[n-]n2C)CC1 ZINC000794930271 586056106 /nfs/dbraw/zinc/05/61/06/586056106.db2.gz GBJCZFNCBAXCHT-UHFFFAOYSA-N -1 3 248.374 2.702 20 30 BFEDHM C[C@@H](C#N)OC(=O)c1cc([O-])c2ccccc2c1 ZINC000795680443 586091275 /nfs/dbraw/zinc/09/12/75/586091275.db2.gz IQBOSEJAZLCXOA-VIFPVBQESA-N -1 3 241.246 2.614 20 30 BFEDHM C=C[C@@H](OC(=O)c1ccc(C#N)[n-]1)C(C)(C)C ZINC000798904990 586153378 /nfs/dbraw/zinc/15/33/78/586153378.db2.gz MSXZIHMTAMQGGN-LLVKDONJSA-N -1 3 232.283 2.644 20 30 BFEDHM C=CCCCC(=O)[N-]OCc1ccccc1OC ZINC000799096523 586156581 /nfs/dbraw/zinc/15/65/81/586156581.db2.gz TYMOCMGIOXYDLR-UHFFFAOYSA-N -1 3 249.310 2.599 20 30 BFEDHM C#C[C@H]1CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000859337018 589032338 /nfs/dbraw/zinc/03/23/38/589032338.db2.gz VIXUXGRTRJSDOB-NSHDSACASA-N -1 3 249.741 2.891 20 30 BFEDHM CC(=NN[C@@H](C)CC#N)c1c(C)cc(C)cc1[O-] ZINC000799883049 586200217 /nfs/dbraw/zinc/20/02/17/586200217.db2.gz NXIZJPDKTUNLIO-NSHDSACASA-N -1 3 245.326 2.625 20 30 BFEDHM C=C(C)CCOC(=O)c1ccc([O-])cc1C ZINC000803409989 586352306 /nfs/dbraw/zinc/35/23/06/586352306.db2.gz TYZZMYUYODFYKX-UHFFFAOYSA-N -1 3 220.268 2.824 20 30 BFEDHM C#CCCCOC(=O)c1ccc([O-])c(CC)c1 ZINC000811304288 586557840 /nfs/dbraw/zinc/55/78/40/586557840.db2.gz NCRMBVYACKFAMT-UHFFFAOYSA-N -1 3 232.279 2.525 20 30 BFEDHM CC[C@@H](C/N=C\c1cc(Cl)ccc1[O-])OC ZINC000811625423 586561612 /nfs/dbraw/zinc/56/16/12/586561612.db2.gz MIDQSKBXJZVYDL-ODYDIQAQSA-N -1 3 241.718 2.890 20 30 BFEDHM [O-]c1ccccc1/C=N/CCCc1nccs1 ZINC000811625015 586562047 /nfs/dbraw/zinc/56/20/47/586562047.db2.gz ALHZKDIIIJCGBV-GXDHUFHOSA-N -1 3 246.335 2.900 20 30 BFEDHM CO[C@@H](C/N=C\c1ccccc1[O-])CC(C)C ZINC000841482702 586606415 /nfs/dbraw/zinc/60/64/15/586606415.db2.gz UUQVHSMZDHWAMQ-MLJKTZRHSA-N -1 3 235.327 2.872 20 30 BFEDHM CC(=NOCC1CC1)c1ccc([O-])cc1F ZINC000814243723 586619644 /nfs/dbraw/zinc/61/96/44/586619644.db2.gz KWCYRCXCXRAPSW-UHFFFAOYSA-N -1 3 223.247 2.682 20 30 BFEDHM CC(=NOCCC1CC1)c1ccccc1[O-] ZINC000814245519 586620321 /nfs/dbraw/zinc/62/03/21/586620321.db2.gz WDATUTIGVMFGDD-UHFFFAOYSA-N -1 3 219.284 2.933 20 30 BFEDHM [O-]c1cccc(CN=Nc2ccccn2)c1Cl ZINC000814732011 586631242 /nfs/dbraw/zinc/63/12/42/586631242.db2.gz TZJNZYLSWVVYOE-UHFFFAOYSA-N -1 3 247.685 2.887 20 30 BFEDHM C#C[C@H](CC)NCc1cc(Cl)c(F)cc1[O-] ZINC000816608108 586743853 /nfs/dbraw/zinc/74/38/53/586743853.db2.gz PEPLLNPSHKRVQP-SECBINFHSA-N -1 3 241.693 2.686 20 30 BFEDHM CN(Cc1cc(F)ccc1[O-])CC(C)(C)C#N ZINC000816632127 586745761 /nfs/dbraw/zinc/74/57/61/586745761.db2.gz UTBPVJSABXHQJE-UHFFFAOYSA-N -1 3 236.290 2.513 20 30 BFEDHM C=CCC1(C(=O)[N-]OC[C@H](C)CC)CCC1 ZINC000816980405 586778133 /nfs/dbraw/zinc/77/81/33/586778133.db2.gz KFYMPFGAHZORCS-LLVKDONJSA-N -1 3 225.332 2.827 20 30 BFEDHM CC[C@@H]1C[C@@H](/N=C/c2ccccc2[O-])CCO1 ZINC000817706582 586818460 /nfs/dbraw/zinc/81/84/60/586818460.db2.gz CVGSJHRXLPDTCF-KWXXWNBCSA-N -1 3 233.311 2.769 20 30 BFEDHM C[C@@H](/N=C\c1ccccc1[O-])C(F)(F)F ZINC000818992141 586920584 /nfs/dbraw/zinc/92/05/84/586920584.db2.gz NCMFUNXVHDIFJM-UNDSANKCSA-N -1 3 217.190 2.762 20 30 BFEDHM CCOc1ccc(/C=N\[C@H]2CC23CC3)c([O-])c1 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[O-]/N=C/c1cccc(-c2cnn(CC3CC3)c2)c1 ZINC001240513857 981439822 /nfs/dbraw/zinc/43/98/22/981439822.db2.gz ILTVFRVBRXBNNN-FRKPEAEDSA-N -1 3 241.294 2.768 20 30 BFEDHM [O-]N=Cc1ccccc1-c1ccn2ccnc2c1 ZINC001240517814 981446189 /nfs/dbraw/zinc/44/61/89/981446189.db2.gz HJEKOCQKQCMWNG-UHFFFAOYSA-N -1 3 237.262 2.809 20 30 BFEDHM CC(C)(C)COC(=O)Nc1ccc([O-])cc1C#N ZINC001194385924 981794956 /nfs/dbraw/zinc/79/49/56/981794956.db2.gz YMBGKWBEZKEGEG-UHFFFAOYSA-N -1 3 248.282 2.858 20 30 BFEDHM Cc1ccc(C#N)nc1-c1ccccc1[O-] ZINC001241003008 982086511 /nfs/dbraw/zinc/08/65/11/982086511.db2.gz FAEAHAWNVPNWPZ-UHFFFAOYSA-N -1 3 210.236 2.634 20 30 BFEDHM Cc1ccc(-c2cc(C#N)c(C)cn2)c([O-])c1 ZINC001241035635 982139070 /nfs/dbraw/zinc/13/90/70/982139070.db2.gz DJNZUGUCMOJKRK-UHFFFAOYSA-N -1 3 224.263 2.943 20 30 BFEDHM C=CCS[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588688699 982395147 /nfs/dbraw/zinc/39/51/47/982395147.db2.gz OBVVDYNVHLEXJF-VIFPVBQESA-N -1 3 246.339 2.847 20 30 BFEDHM C=CCS[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588688699 982395159 /nfs/dbraw/zinc/39/51/59/982395159.db2.gz OBVVDYNVHLEXJF-VIFPVBQESA-N -1 3 246.339 2.847 20 30 BFEDHM N#CCc1ccc(-c2cc([O-])cc(F)c2)nc1 ZINC001241258210 982395728 /nfs/dbraw/zinc/39/57/28/982395728.db2.gz WATUYYSUFJECPM-UHFFFAOYSA-N -1 3 228.226 2.659 20 30 BFEDHM N#CCc1cc(-c2c(F)ccc([O-])c2F)ccn1 ZINC001241293835 982439714 /nfs/dbraw/zinc/43/97/14/982439714.db2.gz PORBNRPWBWKPKG-UHFFFAOYSA-N -1 3 246.216 2.798 20 30 BFEDHM [O-]/N=C/c1ccc(F)c(-c2cccc(CO)c2)c1 ZINC001241511691 982671386 /nfs/dbraw/zinc/67/13/86/982671386.db2.gz NVADKROZSHCHPF-LZYBPNLTSA-N -1 3 245.253 2.793 20 30 BFEDHM [O-]N=Cc1ccccc1-c1ccc(CO)cc1 ZINC001241557830 982780307 /nfs/dbraw/zinc/78/03/07/982780307.db2.gz FSQWQLBQBTZFSU-UHFFFAOYSA-N -1 3 227.263 2.654 20 30 BFEDHM CC(C)c1oncc1[N-]C(=O)c1coc(C#N)c1 ZINC001353788121 983004246 /nfs/dbraw/zinc/00/42/46/983004246.db2.gz ITPZUWIWMLTIGL-UHFFFAOYSA-N -1 3 245.238 2.515 20 30 BFEDHM CNc1ccc(-c2ccccc2C=N[O-])cn1 ZINC001242073708 983313498 /nfs/dbraw/zinc/31/34/98/983313498.db2.gz WZJSTGAIBPAHEZ-UHFFFAOYSA-N -1 3 227.267 2.598 20 30 BFEDHM Cc1cc(Nc2cncc([O-])c2)ccc1C#N ZINC001201641225 983394075 /nfs/dbraw/zinc/39/40/75/983394075.db2.gz CUFVJMUAHJMJDY-UHFFFAOYSA-N -1 3 225.251 2.711 20 30 BFEDHM N#CCc1ccncc1-c1cccc(F)c1[O-] ZINC001242352895 983630529 /nfs/dbraw/zinc/63/05/29/983630529.db2.gz UVJXXNARAPZCEG-UHFFFAOYSA-N -1 3 228.226 2.659 20 30 BFEDHM C=C(CC)CN[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001588606707 983698162 /nfs/dbraw/zinc/69/81/62/983698162.db2.gz GJCALUVTGMCGGA-VIFPVBQESA-N -1 3 223.272 2.595 20 30 BFEDHM COc1ncc(-c2cccc(/C=N/[O-])c2)cc1C ZINC001242432964 983731318 /nfs/dbraw/zinc/73/13/18/983731318.db2.gz RYSXIXSBOPDZKX-LZYBPNLTSA-N -1 3 242.278 2.874 20 30 BFEDHM C=CC[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001588736068 984022616 /nfs/dbraw/zinc/02/26/16/984022616.db2.gz REMBEXNHHFWACL-NXEZZACHSA-N -1 3 249.310 2.706 20 30 BFEDHM Cc1cc(C#N)cc(-c2cc([O-])ccc2F)n1 ZINC001242761696 984125726 /nfs/dbraw/zinc/12/57/26/984125726.db2.gz ALNVGKNKYRWSFW-UHFFFAOYSA-N -1 3 228.226 2.773 20 30 BFEDHM N#Cc1ccc(-c2cc([O-])ccc2F)c(C#N)c1 ZINC001242763925 984136729 /nfs/dbraw/zinc/13/67/29/984136729.db2.gz CKULRNXFHQSVIQ-UHFFFAOYSA-N -1 3 238.221 2.942 20 30 BFEDHM COc1ccc(-c2cccc(/C=N/[O-])c2)c(C)n1 ZINC001242927795 984302629 /nfs/dbraw/zinc/30/26/29/984302629.db2.gz AJAOCOPEIGZSIJ-OQLLNIDSSA-N -1 3 242.278 2.874 20 30 BFEDHM N#CCc1cccnc1-c1cccc([O-])c1F ZINC001243541206 985070228 /nfs/dbraw/zinc/07/02/28/985070228.db2.gz ATOPHHANHQIRPP-UHFFFAOYSA-N -1 3 228.226 2.659 20 30 BFEDHM Cc1cnc(F)cc1Nc1cc(C#N)ccc1[O-] ZINC001212851826 985227318 /nfs/dbraw/zinc/22/73/18/985227318.db2.gz KVSMITHIXYZWAI-UHFFFAOYSA-N -1 3 243.241 2.850 20 30 BFEDHM CCCCCCN([O-])C(=O)[C@H](OC)C1CCC1 ZINC001458012822 985252350 /nfs/dbraw/zinc/25/23/50/985252350.db2.gz XZJNJCMJALYKKF-GFCCVEGCSA-N -1 3 243.347 2.600 20 30 BFEDHM CCCCN([O-])C(=O)c1c(F)ccc(F)c1F ZINC001458023279 985254063 /nfs/dbraw/zinc/25/40/63/985254063.db2.gz MQXREEPYLISSCK-UHFFFAOYSA-N -1 3 247.216 2.735 20 30 BFEDHM N#CCc1ncc(-c2ccc(Cl)cc2[O-])cn1 ZINC001244469211 986126295 /nfs/dbraw/zinc/12/62/95/986126295.db2.gz AYYARGHEPQCMLE-UHFFFAOYSA-N -1 3 245.669 2.569 20 30 BFEDHM C=C/C(=N\COC)c1ccc(Cl)cc1[O-] ZINC001244466758 986135572 /nfs/dbraw/zinc/13/55/72/986135572.db2.gz LHOAHBMJTWLNHJ-JLHYYAGUSA-N -1 3 225.675 2.625 20 30 BFEDHM CNc1cc(-c2ccccc2C=N[O-])ccn1 ZINC001244977492 986567021 /nfs/dbraw/zinc/56/70/21/986567021.db2.gz HJWVRZUVEUKXBT-UHFFFAOYSA-N -1 3 227.267 2.598 20 30 BFEDHM CCOc1cc(-c2cccc(/C=N/[O-])c2)ccn1 ZINC001245266505 986775090 /nfs/dbraw/zinc/77/50/90/986775090.db2.gz BPTXDEWZUCJHQR-MHWRWJLKSA-N -1 3 242.278 2.955 20 30 BFEDHM COc1cc(-c2ccccc2C=N[O-])ccc1N ZINC001245504528 986885814 /nfs/dbraw/zinc/88/58/14/986885814.db2.gz FNHOZPIWSGFJJY-UHFFFAOYSA-N -1 3 242.278 2.753 20 30 BFEDHM N#CCc1cnc(F)c(-c2c([O-])cccc2F)c1 ZINC001245653890 987022565 /nfs/dbraw/zinc/02/25/65/987022565.db2.gz GWJFJFBKXSJPSV-UHFFFAOYSA-N -1 3 246.216 2.798 20 30 BFEDHM N#CCc1ncccc1-c1c([O-])cccc1F ZINC001245657209 987044520 /nfs/dbraw/zinc/04/45/20/987044520.db2.gz XMNGNLVDFSBRJP-UHFFFAOYSA-N -1 3 228.226 2.659 20 30 BFEDHM CC#CCN(C)Cc1c([O-])cc(C)cc1Cl ZINC001474734366 987813204 /nfs/dbraw/zinc/81/32/04/987813204.db2.gz SAEGTTXXKKABJI-UHFFFAOYSA-N -1 3 237.730 2.809 20 30 BFEDHM Cc1coc(C([O-])=C(C#N)c2ccccn2)c1C ZINC001515145007 988994949 /nfs/dbraw/zinc/99/49/49/988994949.db2.gz JCYJSWQMGLQTTE-NSHDSACASA-N -1 3 240.262 2.782 20 30 BFEDHM CC(C)(C)CN(CCC#N)CCCCC(=O)[O-] ZINC001603338344 989382397 /nfs/dbraw/zinc/38/23/97/989382397.db2.gz FRPIYKOJJUUIPA-UHFFFAOYSA-N -1 3 240.347 2.503 20 30 BFEDHM CCCCCCN([O-])C(=O)COC1CCCC1 ZINC001559034666 991023748 /nfs/dbraw/zinc/02/37/48/991023748.db2.gz KLKJBKCCAVHSSK-UHFFFAOYSA-N -1 3 243.347 2.744 20 30 BFEDHM CCCCN([O-])C(=O)[C@@H]1CCC[C@@H]1CC ZINC001559035124 991025338 /nfs/dbraw/zinc/02/53/38/991025338.db2.gz CTUGRARVKDGJKN-WDEREUQCSA-N -1 3 213.321 2.831 20 30 BFEDHM CC(C)(C)ON=Cc1cc(F)ccc1[O-] ZINC001319583992 991899771 /nfs/dbraw/zinc/89/97/71/991899771.db2.gz RLYIYWMCPFZWRE-UHFFFAOYSA-N -1 3 211.236 2.680 20 30 BFEDHM CCCCCCN([O-])C(=O)[C@H](OC)[C@@H](C)CC ZINC001306896560 994550243 /nfs/dbraw/zinc/55/02/43/994550243.db2.gz BZHUBWFHWWVEQO-NWDGAFQWSA-N -1 3 245.363 2.846 20 30 BFEDHM CCCCN([O-])C(=O)[C@H]1CCC(C)(C)C1 ZINC001306897486 995270116 /nfs/dbraw/zinc/27/01/16/995270116.db2.gz OPWGXIKOGAOHNA-JTQLQIEISA-N -1 3 213.321 2.831 20 30 BFEDHM C=CCCCC(=O)Nc1c(C)cccc1[O-] ZINC000272547315 398147275 /nfs/dbraw/zinc/14/72/75/398147275.db2.gz SKXYLQYGAUFOKJ-UHFFFAOYSA-N -1 3 219.284 2.995 20 30 BFEDHM N#Cc1csc(C(=O)Nc2ccccc2[O-])c1 ZINC000176266340 344394315 /nfs/dbraw/zinc/39/43/15/344394315.db2.gz FECPTDGCHPWADO-UHFFFAOYSA-N -1 3 244.275 2.578 20 30 BFEDHM CC(C)(C#N)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000264532510 534975503 /nfs/dbraw/zinc/97/55/03/534975503.db2.gz JPOOIUXHUSFLBI-UHFFFAOYSA-N -1 3 238.674 2.534 20 30 BFEDHM C[C@@H](/N=C/c1ccccc1[O-])C1CCOCC1 ZINC000122894520 344978849 /nfs/dbraw/zinc/97/88/49/344978849.db2.gz CSRRQDCELNGQPB-HGLKBHAMSA-N -1 3 233.311 2.626 20 30 BFEDHM C=CC[C@@H](CC)NC(=O)c1cccc(C)c1[O-] ZINC000393817097 259392347 /nfs/dbraw/zinc/39/23/47/259392347.db2.gz KVESTJAWTZEDEH-LLVKDONJSA-N -1 3 233.311 2.785 20 30 BFEDHM CCCCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000590568743 347470464 /nfs/dbraw/zinc/47/04/64/347470464.db2.gz KIYYFCRIHRAEGU-UHFFFAOYSA-N -1 3 229.736 2.692 20 30 BFEDHM C=CCCCCNC(=O)c1ccc(C)cc1[O-] ZINC000393841374 259398687 /nfs/dbraw/zinc/39/86/87/259398687.db2.gz UEAYOLNREDQFLR-UHFFFAOYSA-N -1 3 233.311 2.787 20 30 BFEDHM CC1(CN=c2[n-]c(C#N)c(Cl)s2)CCC1 ZINC000596151601 348453622 /nfs/dbraw/zinc/45/36/22/348453622.db2.gz FCXGDGDOCDFZQU-UHFFFAOYSA-N -1 3 241.747 2.692 20 30 BFEDHM C[C@H](C#N)CN(C)Cc1cc([O-])ccc1Cl ZINC000599279454 349139383 /nfs/dbraw/zinc/13/93/83/349139383.db2.gz PAJQEPQYMXUBPC-SECBINFHSA-N -1 3 238.718 2.637 20 30 BFEDHM C[C@@H]1C[C@@H](C/N=C/c2ccccc2[O-])CCO1 ZINC000271260111 351409982 /nfs/dbraw/zinc/40/99/82/351409982.db2.gz IKQNXEJPHUOTSK-HTIZXDQJSA-N -1 3 233.311 2.626 20 30 BFEDHM C[C@H]1C[C@H](C/N=C/c2ccccc2[O-])CCO1 ZINC000271260115 351410326 /nfs/dbraw/zinc/41/03/26/351410326.db2.gz IKQNXEJPHUOTSK-XFEZRSPJSA-N -1 3 233.311 2.626 20 30 BFEDHM CCc1nc(C)c(C/N=C/c2ccccc2[O-])o1 ZINC000292072690 352300486 /nfs/dbraw/zinc/30/04/86/352300486.db2.gz LIXGHKANGFRFJZ-OVCLIPMQSA-N -1 3 244.294 2.870 20 30 BFEDHM C#CCC(C)(C)C(=O)Nc1ccc(C)cc1[O-] ZINC000184278905 353637614 /nfs/dbraw/zinc/63/76/14/353637614.db2.gz KTTDKMSWVZDVGR-UHFFFAOYSA-N -1 3 231.295 2.689 20 30 BFEDHM C#CCC(C)(C)C(=O)Nc1cc(F)ccc1[O-] ZINC000184836572 353714230 /nfs/dbraw/zinc/71/42/30/353714230.db2.gz RHMQIXWQIGBWOF-UHFFFAOYSA-N -1 3 235.258 2.519 20 30 BFEDHM C=CCCCc1nc(-c2ccc([O-])cc2)no1 ZINC000436535740 201330327 /nfs/dbraw/zinc/33/03/27/201330327.db2.gz SIILJMNRFHXDTG-UHFFFAOYSA-N -1 3 230.267 2.951 20 30 BFEDHM C=CCCCNC(=O)c1ccc(CC)cc1[O-] ZINC000436797650 201337200 /nfs/dbraw/zinc/33/72/00/201337200.db2.gz OTQWUEOHYLUGQX-UHFFFAOYSA-N -1 3 233.311 2.651 20 30 BFEDHM C=C(C)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436814720 201338273 /nfs/dbraw/zinc/33/82/73/201338273.db2.gz LJZMFEPFMQTVCY-UHFFFAOYSA-N -1 3 233.311 2.822 20 30 BFEDHM CC#CCCNCc1cccc([O-])c1Cl ZINC000328435715 363887443 /nfs/dbraw/zinc/88/74/43/363887443.db2.gz BZEKLEGBFXCQDQ-UHFFFAOYSA-N -1 3 223.703 2.549 20 30 BFEDHM C=CCCCN(C)Cc1ccsc1C(=O)[O-] ZINC000382500408 367530975 /nfs/dbraw/zinc/53/09/75/367530975.db2.gz PAORICWCVYSJEK-UHFFFAOYSA-N -1 3 239.340 2.844 20 30 BFEDHM C=CCCCN(C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000382521674 367532489 /nfs/dbraw/zinc/53/24/89/367532489.db2.gz AZDQTHWAMJBEJB-JTQLQIEISA-N -1 3 237.299 2.937 20 30 BFEDHM C=CC(C)(C)CNC(=O)c1ccc([O-])c(C)c1 ZINC000384851092 367743011 /nfs/dbraw/zinc/74/30/11/367743011.db2.gz LNTHODBMTSEYRJ-UHFFFAOYSA-N -1 3 233.311 2.643 20 30 BFEDHM C=C(C)CN(C)C(=O)c1ccc(CC)cc1[O-] ZINC000189256144 206013201 /nfs/dbraw/zinc/01/32/01/206013201.db2.gz IOLQFNHCVHWKAB-UHFFFAOYSA-N -1 3 233.311 2.603 20 30 BFEDHM C=C(C)CN(C)C(=O)c1cc([O-])ccc1Cl ZINC000234287238 384119511 /nfs/dbraw/zinc/11/95/11/384119511.db2.gz PIGJBDPVQKTARN-UHFFFAOYSA-N -1 3 239.702 2.694 20 30 BFEDHM Cc1csc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000334322621 384439618 /nfs/dbraw/zinc/43/96/18/384439618.db2.gz ISUASOIINQAYKO-JTQLQIEISA-N -1 3 242.303 2.942 20 30 BFEDHM Cc1cscc1C([O-])=C(C#N)c1ccccn1 ZINC000094342821 384979908 /nfs/dbraw/zinc/97/99/08/384979908.db2.gz BVHPTBHCVFUBNL-SNVBAGLBSA-N -1 3 242.303 2.942 20 30 BFEDHM CC1(C)CCCN(Cc2ccccc2[O-])[C@H]1C#N ZINC000278387058 386520365 /nfs/dbraw/zinc/52/03/65/386520365.db2.gz MLKVSGQQMIVRDA-AWEZNQCLSA-N -1 3 244.338 2.906 20 30 BFEDHM C=CC[C@H](C)NC(=O)c1ccc(CC)cc1[O-] ZINC000191685200 387048063 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C=CCC1(C(=O)[N-]OCC(F)F)CCCCC1 ZINC000828461275 587443684 /nfs/dbraw/zinc/44/36/84/587443684.db2.gz QKZGHNCUHSHWCT-UHFFFAOYSA-N -1 3 247.285 2.826 20 30 BFEDHM C=CCN(Cc1cccc(NC(=O)[O-])c1)C1CC1 ZINC000833787767 587731817 /nfs/dbraw/zinc/73/18/17/587731817.db2.gz AYBRPNDMABECQE-UHFFFAOYSA-N -1 3 246.310 2.927 20 30 BFEDHM CC(=NN[C@@H](C)C(F)(F)F)c1ccccc1[O-] ZINC000834995866 587776176 /nfs/dbraw/zinc/77/61/76/587776176.db2.gz CEQGUHCQSNSKDA-QMMMGPOBSA-N -1 3 246.232 2.657 20 30 BFEDHM CC[C@@H](OC(=O)c1ccc(C#N)[n-]1)[C@@H](C)CC ZINC000835593289 587808474 /nfs/dbraw/zinc/80/84/74/587808474.db2.gz OAHYKBACAHRSSL-JOYOIKCWSA-N -1 3 234.299 2.868 20 30 BFEDHM C=CCON=C([O-])Nc1ccc(CC)c(F)c1 ZINC000836475824 587833950 /nfs/dbraw/zinc/83/39/50/587833950.db2.gz CPRCYXUUTXFTHG-UHFFFAOYSA-N -1 3 238.262 2.627 20 30 BFEDHM C=CCO[N-]C(=O)Nc1ccc(CC)c(F)c1 ZINC000836475824 587833951 /nfs/dbraw/zinc/83/39/51/587833951.db2.gz CPRCYXUUTXFTHG-UHFFFAOYSA-N -1 3 238.262 2.627 20 30 BFEDHM 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CC(C)(C)CC(=O)[N-]OCc1ccc(C#N)cc1 ZINC000842060527 587994186 /nfs/dbraw/zinc/99/41/86/587994186.db2.gz MKIXUKNGQMGQES-UHFFFAOYSA-N -1 3 246.310 2.542 20 30 BFEDHM CC(C)(C)CC(=O)[N-]OCCCC(C)(C)C#N ZINC000842063464 587994669 /nfs/dbraw/zinc/99/46/69/587994669.db2.gz NXIMKYDFBDXBFZ-UHFFFAOYSA-N -1 3 240.347 2.800 20 30 BFEDHM CCCON=C(CC)c1ccc([O-])cc1 ZINC000842565691 588042353 /nfs/dbraw/zinc/04/23/53/588042353.db2.gz LEOSFBOQYGNOTK-UHFFFAOYSA-N -1 3 207.273 2.933 20 30 BFEDHM [O-]c1ccccc1/C=N\[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000843262960 588096270 /nfs/dbraw/zinc/09/62/70/588096270.db2.gz GUCCDCKYKPQSDM-UNNDUTLFSA-N -1 3 215.296 3.000 20 30 BFEDHM C[C@@H]1SCC[C@H]1/N=C/c1ccccc1[O-] ZINC000843265210 588096549 /nfs/dbraw/zinc/09/65/49/588096549.db2.gz VJKGPTCNNMSBFG-VTQONVPZSA-N -1 3 221.325 2.705 20 30 BFEDHM C=C[C@@H](C)ON=C([O-])Nc1cc(F)ccc1C ZINC000844480933 588198877 /nfs/dbraw/zinc/19/88/77/588198877.db2.gz CKKMHCNGPNXTBF-SECBINFHSA-N -1 3 238.262 2.762 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1cc(F)ccc1C ZINC000844480933 588198878 /nfs/dbraw/zinc/19/88/78/588198878.db2.gz CKKMHCNGPNXTBF-SECBINFHSA-N -1 3 238.262 2.762 20 30 BFEDHM C=C(C)CON=C([O-])Nc1cccc(C)c1 ZINC000844480070 588199016 /nfs/dbraw/zinc/19/90/16/588199016.db2.gz XBLHDRBILUARNF-UHFFFAOYSA-N -1 3 220.272 2.624 20 30 BFEDHM C=C(C)CO[N-]C(=O)Nc1cccc(C)c1 ZINC000844480070 588199017 /nfs/dbraw/zinc/19/90/17/588199017.db2.gz XBLHDRBILUARNF-UHFFFAOYSA-N -1 3 220.272 2.624 20 30 BFEDHM C=C[C@@H](C)ON=C([O-])Nc1cc(C)cc(C)c1 ZINC000844481681 588199083 /nfs/dbraw/zinc/19/90/83/588199083.db2.gz HNNVPTJAMLNMEZ-LLVKDONJSA-N -1 3 234.299 2.931 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1cc(C)cc(C)c1 ZINC000844481681 588199084 /nfs/dbraw/zinc/19/90/84/588199084.db2.gz HNNVPTJAMLNMEZ-LLVKDONJSA-N -1 3 234.299 2.931 20 30 BFEDHM C=C[C@H](C)ON=C([O-])Nc1ccc(F)c(C)c1 ZINC000844532899 588200850 /nfs/dbraw/zinc/20/08/50/588200850.db2.gz WBYOHCMCBXAOKQ-VIFPVBQESA-N -1 3 238.262 2.762 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccc(F)c(C)c1 ZINC000844532899 588200851 /nfs/dbraw/zinc/20/08/51/588200851.db2.gz WBYOHCMCBXAOKQ-VIFPVBQESA-N -1 3 238.262 2.762 20 30 BFEDHM C=C[C@@H](C)ON=C([O-])Nc1cccc(F)c1C ZINC000844550283 588201540 /nfs/dbraw/zinc/20/15/40/588201540.db2.gz JVRKOMQBQMSIST-MRVPVSSYSA-N -1 3 238.262 2.762 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1cccc(F)c1C ZINC000844550283 588201542 /nfs/dbraw/zinc/20/15/42/588201542.db2.gz JVRKOMQBQMSIST-MRVPVSSYSA-N -1 3 238.262 2.762 20 30 BFEDHM C=C[C@@H](C)ON=C([O-])Nc1c(C)cccc1F ZINC000844605072 588207607 /nfs/dbraw/zinc/20/76/07/588207607.db2.gz SLFGEXPUWYWZRH-SECBINFHSA-N -1 3 238.262 2.762 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1c(C)cccc1F ZINC000844605072 588207608 /nfs/dbraw/zinc/20/76/08/588207608.db2.gz SLFGEXPUWYWZRH-SECBINFHSA-N -1 3 238.262 2.762 20 30 BFEDHM C=C(C)CON=C([O-])Nc1c(C)cccc1F ZINC000844605361 588207908 /nfs/dbraw/zinc/20/79/08/588207908.db2.gz VYOXZTSKVZKFOC-UHFFFAOYSA-N -1 3 238.262 2.763 20 30 BFEDHM C=C(C)CO[N-]C(=O)Nc1c(C)cccc1F ZINC000844605361 588207909 /nfs/dbraw/zinc/20/79/09/588207909.db2.gz VYOXZTSKVZKFOC-UHFFFAOYSA-N -1 3 238.262 2.763 20 30 BFEDHM C=C[C@@H](C)ON=C([O-])Nc1c(C)cc(C)nc1C ZINC000844668318 588212581 /nfs/dbraw/zinc/21/25/81/588212581.db2.gz SQPNTXDNDQQGBL-SNVBAGLBSA-N -1 3 249.314 2.634 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1c(C)cc(C)nc1C ZINC000844668318 588212583 /nfs/dbraw/zinc/21/25/83/588212583.db2.gz SQPNTXDNDQQGBL-SNVBAGLBSA-N -1 3 249.314 2.634 20 30 BFEDHM C=C(C)CC[C@@H](C)OC(=O)c1ccc(C#N)[n-]1 ZINC000845869463 588249134 /nfs/dbraw/zinc/24/91/34/588249134.db2.gz YNFMJFMCPYVTCF-SNVBAGLBSA-N -1 3 232.283 2.788 20 30 BFEDHM N#CC1(CNCc2cc(F)ccc2[O-])CCCC1 ZINC000846011732 588253389 /nfs/dbraw/zinc/25/33/89/588253389.db2.gz YSQYNNRIYJKECL-UHFFFAOYSA-N -1 3 248.301 2.705 20 30 BFEDHM C=CCCC(=O)NCc1cc(Cl)ccc1[O-] ZINC000846471759 588267108 /nfs/dbraw/zinc/26/71/08/588267108.db2.gz AEQIRFSFSOKNFZ-UHFFFAOYSA-N -1 3 239.702 2.628 20 30 BFEDHM C=C(C)CO[N-]C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000846533961 588270476 /nfs/dbraw/zinc/27/04/76/588270476.db2.gz QHZIWNKHFHDVPL-OLZOCXBDSA-N -1 3 249.285 2.553 20 30 BFEDHM C=C(C)CO[N-]C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000846533963 588270676 /nfs/dbraw/zinc/27/06/76/588270676.db2.gz QHZIWNKHFHDVPL-STQMWFEESA-N -1 3 249.285 2.553 20 30 BFEDHM C=C(C)CO[N-]C(=O)C(C1CCC1)C1CCC1 ZINC000846534393 588270879 /nfs/dbraw/zinc/27/08/79/588270879.db2.gz ZQUOLYCHCYZXHI-UHFFFAOYSA-N -1 3 237.343 2.827 20 30 BFEDHM C=C(C)CO[N-]C(=O)CCCc1ccc(C)cc1 ZINC000846537892 588272169 /nfs/dbraw/zinc/27/21/69/588272169.db2.gz LIKJPYHZOITCOR-UHFFFAOYSA-N -1 3 247.338 2.942 20 30 BFEDHM C=C(C)CO[N-]C(=O)C[C@H]1CCC[C@H](C)C1 ZINC000846538995 588272272 /nfs/dbraw/zinc/27/22/72/588272272.db2.gz BDKODQKCOKZGQW-RYUDHWBXSA-N -1 3 225.332 2.827 20 30 BFEDHM C=C(C)CO[N-]C(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000846538997 588272504 /nfs/dbraw/zinc/27/25/04/588272504.db2.gz BDKODQKCOKZGQW-VXGBXAGGSA-N -1 3 225.332 2.827 20 30 BFEDHM C=C(C)CO[N-]C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000846539598 588272676 /nfs/dbraw/zinc/27/26/76/588272676.db2.gz APVMLFYLYFWUQW-UHFFFAOYSA-N -1 3 249.354 2.827 20 30 BFEDHM C=C(C)CO[N-]C(=O)C[C@H](C)c1ccccc1 ZINC000846540717 588272728 /nfs/dbraw/zinc/27/27/28/588272728.db2.gz HSEORRBYPHIZOL-LBPRGKRZSA-N -1 3 233.311 2.804 20 30 BFEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H](C)CC(C)C ZINC000846548120 588274886 /nfs/dbraw/zinc/27/48/86/588274886.db2.gz DDYBDIYMXPWVCX-GHMZBOCLSA-N -1 3 213.321 2.681 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)C[C@H]1CCCC[C@@H]1C ZINC000846550336 588275300 /nfs/dbraw/zinc/27/53/00/588275300.db2.gz MVZMQSFJMSNTPO-SDDRHHMPSA-N -1 3 225.332 2.825 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)c1c(F)ccc(C)c1F ZINC000846550484 588275578 /nfs/dbraw/zinc/27/55/78/588275578.db2.gz XLADIELEVZIICV-QMMMGPOBSA-N -1 3 241.237 2.509 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)[C@H](CC)CC(F)(F)F ZINC000846553994 588276655 /nfs/dbraw/zinc/27/66/55/588276655.db2.gz GLYJOJFAWGZUTA-JGVFFNPUSA-N -1 3 239.237 2.587 20 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BFEDHM C=CC(C)(C)CC/N=C/c1ccc(O)c([O-])c1O ZINC000864345207 589354274 /nfs/dbraw/zinc/35/42/74/589354274.db2.gz QXQAPFSCANRJEU-OQLLNIDSSA-N -1 3 249.310 2.825 20 30 BFEDHM [O-]c1c(O)ccc(/C=N/[C@@H]2CCCC23CC3)c1O ZINC000864346916 589354368 /nfs/dbraw/zinc/35/43/68/589354368.db2.gz GWXJJWSZMLZKCL-OXFWXOROSA-N -1 3 247.294 2.555 20 30 BFEDHM CCOc1ccc(/C=N/CC(C)(C)F)c([O-])c1 ZINC000864347481 589354432 /nfs/dbraw/zinc/35/44/32/589354432.db2.gz RFDVYUOGBOLSGB-OVCLIPMQSA-N -1 3 239.290 2.958 20 30 BFEDHM COc1cccc([O-])c1/C=N/CC(C)(C)F ZINC000864346528 589354448 /nfs/dbraw/zinc/35/44/48/589354448.db2.gz BBNQJQWYUWDYPH-VGOFMYFVSA-N -1 3 225.263 2.568 20 30 BFEDHM C=CCCOC(=O)c1c(Cl)[n-]nc1C1CC1 ZINC000869903253 589637152 /nfs/dbraw/zinc/63/71/52/589637152.db2.gz OOXPQINZOCLYRI-UHFFFAOYSA-N -1 3 240.690 2.673 20 30 BFEDHM C=CCCOC(=O)c1c(Cl)n[n-]c1C1CC1 ZINC000869903253 589637154 /nfs/dbraw/zinc/63/71/54/589637154.db2.gz OOXPQINZOCLYRI-UHFFFAOYSA-N -1 3 240.690 2.673 20 30 BFEDHM 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ZINC000876691114 590231231 /nfs/dbraw/zinc/23/12/31/590231231.db2.gz AWQYLQYFOGXPCP-UHFFFAOYSA-N -1 3 244.338 2.826 20 30 BFEDHM CCN(CCC#N)Cc1cc(Cl)ccc1[O-] ZINC000127622996 590726083 /nfs/dbraw/zinc/72/60/83/590726083.db2.gz FGVRKFQRPBTTKN-UHFFFAOYSA-N -1 3 238.718 2.781 20 30 BFEDHM C=C[C@H](C)O[N-]C(=O)[C@]1(C)CCC[C@H]1CC ZINC000880548900 591088504 /nfs/dbraw/zinc/08/85/04/591088504.db2.gz HJJWIKVZBAUOJN-DMDPSCGWSA-N -1 3 225.332 2.825 20 30 BFEDHM C=CCCO[N-]C(=O)[C@@]1(C)CCC[C@H]1CC ZINC000880724779 591127590 /nfs/dbraw/zinc/12/75/90/591127590.db2.gz BHIXSKIMXFFXIL-YPMHNXCESA-N -1 3 225.332 2.827 20 30 BFEDHM C=CC[C@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000882121861 591300979 /nfs/dbraw/zinc/30/09/79/591300979.db2.gz ZOCUETJZAGAFFA-VIFPVBQESA-N -1 3 246.339 2.923 20 30 BFEDHM C=CCCCSc1ccccc1-c1nnn[n-]1 ZINC000819740171 599348975 /nfs/dbraw/zinc/34/89/75/599348975.db2.gz RUGINCUAYPZBKU-UHFFFAOYSA-N -1 3 246.339 2.925 20 30 BFEDHM C=CCCCSc1ccccc1-c1nn[n-]n1 ZINC000819740171 599348978 /nfs/dbraw/zinc/34/89/78/599348978.db2.gz RUGINCUAYPZBKU-UHFFFAOYSA-N -1 3 246.339 2.925 20 30 BFEDHM CCON=Cc1cc(Br)ccc1[O-] ZINC000308293959 631274395 /nfs/dbraw/zinc/27/43/95/631274395.db2.gz GXDUVPSBFBDGLI-UHFFFAOYSA-N -1 3 244.088 2.525 20 30 BFEDHM CCCCN([O-])C(=O)C(C)(C)[C@H]1CCCCO1 ZINC000904216015 637393247 /nfs/dbraw/zinc/39/32/47/637393247.db2.gz UYJUVOFTQYTVLZ-LLVKDONJSA-N -1 3 243.347 2.600 20 30 BFEDHM C=CCCO[N-]C(=O)CCC1CCCCC1 ZINC000156977792 640522171 /nfs/dbraw/zinc/52/21/71/640522171.db2.gz HBAXLWYXVCQQRO-UHFFFAOYSA-N -1 3 225.332 2.971 20 30 BFEDHM C=CCO[N-]C(=O)CCc1ccc(Cl)cc1 ZINC000837042591 641838835 /nfs/dbraw/zinc/83/88/35/641838835.db2.gz AAOLMYBSCNZRNC-UHFFFAOYSA-N -1 3 239.702 2.506 20 30 BFEDHM COC[C@H](C)C/N=C/c1cc(Cl)ccc1[O-] ZINC000194469487 644321429 /nfs/dbraw/zinc/32/14/29/644321429.db2.gz GGLOZRQFPNCIMJ-CULDGANSSA-N -1 3 241.718 2.747 20 30 BFEDHM [O-]c1ccc(C=NOCCC2CC2)c(F)c1 ZINC000844598968 645340096 /nfs/dbraw/zinc/34/00/96/645340096.db2.gz 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223.272 2.681 20 30 BFEDHM C=C(C)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001602763670 979218719 /nfs/dbraw/zinc/21/87/19/979218719.db2.gz XAMJSAQSSYDEAS-UHFFFAOYSA-N -1 3 232.312 2.535 20 30 BFEDHM C=C(C)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001602763670 979218725 /nfs/dbraw/zinc/21/87/25/979218725.db2.gz XAMJSAQSSYDEAS-UHFFFAOYSA-N -1 3 232.312 2.535 20 30 BFEDHM N#Cc1cc(Cl)cc(-c2ccc(=S)[n-]n2)c1 ZINC001242567968 983886103 /nfs/dbraw/zinc/88/61/03/983886103.db2.gz KDVSUERZOHCYMM-UHFFFAOYSA-N -1 3 247.710 2.957 20 30 BFEDHM C=C(C)CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819722496 945274453 /nfs/dbraw/zinc/27/44/53/945274453.db2.gz KJTJQWSAGIHFBB-UHFFFAOYSA-N -1 3 249.705 2.508 20 30 BFEDHM C/C(=N\[O-])c1ccc(-c2conc2C)cc1 ZINC001243681438 970843536 /nfs/dbraw/zinc/84/35/36/970843536.db2.gz VDTYZNOVJIXBCW-MDWZMJQESA-N -1 3 216.240 2.848 20 30 BFEDHM C=CCN(CC=C)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000074404658 957738781 /nfs/dbraw/zinc/73/87/81/957738781.db2.gz NCAXILUHCIOSTG-CYBMUJFWSA-N -1 3 249.285 2.625 20 30 BFEDHM 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VEOBXXQMRKQKCR-YPPLULGKSA-N -1 3 249.310 2.801 20 30 BFEDHM CC[C@H]1CCC[C@H]1/N=C/c1ccc(O)c([O-])c1O ZINC000129370691 385144901 /nfs/dbraw/zinc/14/49/01/385144901.db2.gz VEOBXXQMRKQKCR-YHBAPYLYSA-N -1 3 249.310 2.801 20 30 BFEDHM CCc1onc(C)c1[N-]C(=O)c1nc(C)oc1C ZINC000330519077 386749134 /nfs/dbraw/zinc/74/91/34/386749134.db2.gz HLCUCSJNJOYNDG-UHFFFAOYSA-N -1 3 249.270 2.787 20 30 BFEDHM C=CC[C@@H](C)NC(=O)c1ccc(CC)cc1[O-] ZINC000191685213 387049547 /nfs/dbraw/zinc/04/95/47/387049547.db2.gz OFZRFTRUDDQHIQ-SNVBAGLBSA-N -1 3 233.311 2.649 20 30 BFEDHM C=CC[C@@H](CC)NC(=O)c1ccc(C)cc1[O-] ZINC000393818142 259713499 /nfs/dbraw/zinc/71/34/99/259713499.db2.gz MSXPLNDYSOALDR-LLVKDONJSA-N -1 3 233.311 2.785 20 30 BFEDHM C=C(C)CCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000452727638 387901669 /nfs/dbraw/zinc/90/16/69/387901669.db2.gz YXQVAHHYDWOZDM-UHFFFAOYSA-N -1 3 233.311 2.705 20 30 BFEDHM CCC(CC)CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596113697 388404297 /nfs/dbraw/zinc/40/42/97/388404297.db2.gz 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20 30 BFEDHM CC(=NNc1ccccn1)c1ccc(F)cc1[O-] ZINC000727777987 583768557 /nfs/dbraw/zinc/76/85/57/583768557.db2.gz YNXWUXSXCNVVLQ-UHFFFAOYSA-N -1 3 245.257 2.762 20 30 BFEDHM CC(N=Nc1ccccn1)c1ccc(F)cc1[O-] ZINC000727777987 583768559 /nfs/dbraw/zinc/76/85/59/583768559.db2.gz YNXWUXSXCNVVLQ-UHFFFAOYSA-N -1 3 245.257 2.762 20 30 BFEDHM CCC[C@@H](C/N=C/c1ccccc1[O-])OC ZINC000840705647 583838737 /nfs/dbraw/zinc/83/87/37/583838737.db2.gz FCEXQUAMQQNPPA-IGVUGNCQSA-N -1 3 221.300 2.626 20 30 BFEDHM CC[C@](C)(C/N=C/c1ccccc1[O-])OC ZINC000840707388 583848465 /nfs/dbraw/zinc/84/84/65/583848465.db2.gz OQGVHZUBWZGLJZ-OZYJXZHSSA-N -1 3 221.300 2.626 20 30 BFEDHM C=C[C@@H]1OCCC[C@H]1/N=C\c1ccccc1[O-] ZINC000840709391 583857046 /nfs/dbraw/zinc/85/70/46/583857046.db2.gz MOZKPSXZIZIDNQ-ZVTCHVPKSA-N -1 3 231.295 2.545 20 30 BFEDHM CC(C)(O)C(C)(C)C/N=C/c1ccccc1[O-] ZINC000840710036 583862581 /nfs/dbraw/zinc/86/25/81/583862581.db2.gz NTBBOCBWXDIEQO-OQLLNIDSSA-N -1 3 235.327 2.608 20 30 BFEDHM CC(C)[C@]1(C)C[C@@H]1/N=C/c1ccc(O)c([O-])c1O ZINC000840710163 583863150 /nfs/dbraw/zinc/86/31/50/583863150.db2.gz HZXPPGXAALTIAX-ZVDIVRMJSA-N -1 3 249.310 2.657 20 30 BFEDHM CCO[C@@H]1CCC[C@H]1/N=C\c1ccccc1[O-] ZINC000840711842 583879502 /nfs/dbraw/zinc/87/95/02/583879502.db2.gz ZNEADEHNKQSHSI-XBGOXGAMSA-N -1 3 233.311 2.769 20 30 BFEDHM CCCCNN=C(C)c1ccc([O-])c(F)c1 ZINC000728429875 583880123 /nfs/dbraw/zinc/88/01/23/583880123.db2.gz RLJZSOAMSGOZDZ-UHFFFAOYSA-N -1 3 224.279 2.645 20 30 BFEDHM CC[C@H](C#N)OC(=O)c1cc([O-])ccc1Cl ZINC000785867980 584014296 /nfs/dbraw/zinc/01/42/96/584014296.db2.gz AAIUFDIRJVWCMD-MRVPVSSYSA-N -1 3 239.658 2.505 20 30 BFEDHM C=C1CN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000898696137 584154299 /nfs/dbraw/zinc/15/42/99/584154299.db2.gz PMKPEQSFPOFZPW-UHFFFAOYSA-N -1 3 231.295 2.528 20 30 BFEDHM C=CCC(C)(C)C(=O)[N-]OCc1cccc(C)n1 ZINC000898931004 584166448 /nfs/dbraw/zinc/16/64/48/584166448.db2.gz RLTWAFFUEAIURB-UHFFFAOYSA-N -1 3 248.326 2.540 20 30 BFEDHM [O-]c1ccccc1/C=N/[C@H]1CCOC12CCCC2 ZINC000899231104 584183290 /nfs/dbraw/zinc/18/32/90/584183290.db2.gz AVJJJZDOENNKJN-LUYJPIOASA-N -1 3 245.322 2.913 20 30 BFEDHM C#CCC(C)(C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900095333 584273892 /nfs/dbraw/zinc/27/38/92/584273892.db2.gz YVLYXURPHGQPOU-UHFFFAOYSA-N -1 3 249.285 2.593 20 30 BFEDHM O=C([C@H]1C[C@H]2C[C@H]2C1)N([O-])Cc1ccc(F)cc1 ZINC000901372319 584434230 /nfs/dbraw/zinc/43/42/30/584434230.db2.gz WJMOSCPXFSCVHZ-GDNZZTSVSA-N -1 3 249.285 2.590 20 30 BFEDHM C=CCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375777 584434818 /nfs/dbraw/zinc/43/48/18/584434818.db2.gz MTOQWIXPVCWJEE-UHFFFAOYSA-N -1 3 223.247 2.510 20 30 BFEDHM C=CC[C@@H]1CC[C@@H](NCc2cc(C(=O)[O-])co2)C1 ZINC000901952438 584507844 /nfs/dbraw/zinc/50/78/44/584507844.db2.gz OUAJWMMPGPPFTF-ZYHUDNBSSA-N -1 3 249.310 2.812 20 30 BFEDHM C=C(Cl)CN[C@H](C)CCCC(C)(C)C(=O)[O-] ZINC000902273598 584549928 /nfs/dbraw/zinc/54/99/28/584549928.db2.gz MUQCYBSDWPKNCR-SNVBAGLBSA-N -1 3 247.766 2.998 20 30 BFEDHM C[C@@H]1C[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904187939 584845033 /nfs/dbraw/zinc/84/50/33/584845033.db2.gz XNUCNTGTTWEJKO-PSASIEDQSA-N -1 3 239.702 2.714 20 30 BFEDHM O=C([C@H]1CC12CCC2)N([O-])Cc1ccc(F)cc1 ZINC000904174133 584846124 /nfs/dbraw/zinc/84/61/24/584846124.db2.gz UHWBYUWBCNKPOL-GFCCVEGCSA-N -1 3 249.285 2.734 20 30 BFEDHM CCCCCCN([O-])C(=O)CC1(COC)CC1 ZINC000904206737 584846504 /nfs/dbraw/zinc/84/65/04/584846504.db2.gz GDOGJMWUOKQNKA-UHFFFAOYSA-N -1 3 243.347 2.601 20 30 BFEDHM CCCCCCN([O-])C(=O)c1ccc(C#N)o1 ZINC000904207172 584846768 /nfs/dbraw/zinc/84/67/68/584846768.db2.gz TWGBUVWSLOVHLQ-UHFFFAOYSA-N -1 3 236.271 2.563 20 30 BFEDHM CCCCN([O-])C(=O)c1sccc1C ZINC000904207797 584847173 /nfs/dbraw/zinc/84/71/73/584847173.db2.gz CBINSAHQBDBIFH-UHFFFAOYSA-N -1 3 213.302 2.688 20 30 BFEDHM CCCCN([O-])C(=O)CCCCSC ZINC000904210413 584848111 /nfs/dbraw/zinc/84/81/11/584848111.db2.gz OZYSXRIXGQNZTQ-UHFFFAOYSA-N -1 3 219.350 2.538 20 30 BFEDHM CCCCN([O-])C(=O)[C@H](C)c1ccsc1 ZINC000904210662 584848225 /nfs/dbraw/zinc/84/82/25/584848225.db2.gz WITZFBOJYHDHAF-SECBINFHSA-N -1 3 227.329 2.870 20 30 BFEDHM CCCCCCN([O-])C(=O)C1CC=CC1 ZINC000904204197 584852411 /nfs/dbraw/zinc/85/24/11/584852411.db2.gz HDJYVGHPRGHGJZ-UHFFFAOYSA-N -1 3 211.305 2.751 20 30 BFEDHM CCCCN([O-])C(=O)CCCC[C@@H](C)C(C)=O ZINC000904212281 584854680 /nfs/dbraw/zinc/85/46/80/584854680.db2.gz NQIGYUNEVGZGPF-LLVKDONJSA-N -1 3 243.347 2.790 20 30 BFEDHM CCCCN([O-])C(=O)C[C@@H]1C=CCCC1 ZINC000904212241 584854684 /nfs/dbraw/zinc/85/46/84/584854684.db2.gz MPTPAXXSJDOPGZ-LLVKDONJSA-N -1 3 211.305 2.751 20 30 BFEDHM CCCCN([O-])C(=O)[C@@H]1CCCc2cccnc21 ZINC000904213347 584855201 /nfs/dbraw/zinc/85/52/01/584855201.db2.gz OTEJOSGLDLGISZ-GFCCVEGCSA-N -1 3 248.326 2.519 20 30 BFEDHM CCCCN([O-])C(=O)Cc1ccc(F)cc1F ZINC000904212883 584855375 /nfs/dbraw/zinc/85/53/75/584855375.db2.gz WNYOZGRHGFFNIA-UHFFFAOYSA-N -1 3 243.253 2.525 20 30 BFEDHM CCCCN([O-])C(=O)c1ccnc(C2CC2)c1 ZINC000904212738 584855380 /nfs/dbraw/zinc/85/53/80/584855380.db2.gz TWCVPEMAEVOKKW-UHFFFAOYSA-N -1 3 234.299 2.591 20 30 BFEDHM CCCCN([O-])C(=O)c1ccoc1C1CC1 ZINC000904213758 584855580 /nfs/dbraw/zinc/85/55/80/584855580.db2.gz ZXGHCCZDXDXQME-UHFFFAOYSA-N -1 3 223.272 2.789 20 30 BFEDHM CCCCN([O-])C(=O)c1cc(COC)cs1 ZINC000904214635 584856097 /nfs/dbraw/zinc/85/60/97/584856097.db2.gz HOINWPJODKVOBK-UHFFFAOYSA-N -1 3 243.328 2.526 20 30 BFEDHM CCCCN([O-])C(=O)c1ccc2ccncc2c1 ZINC000904214726 584856143 /nfs/dbraw/zinc/85/61/43/584856143.db2.gz KQOGHTBLVWLNPE-UHFFFAOYSA-N -1 3 244.294 2.866 20 30 BFEDHM CCCCN([O-])C(=O)[C@@H]1CC12CCSCC2 ZINC000904214675 584856480 /nfs/dbraw/zinc/85/64/80/584856480.db2.gz IYSFBOKCTGONSE-JTQLQIEISA-N -1 3 243.372 2.538 20 30 BFEDHM CC(=NOC(C)C)c1ccc([O-])cc1F ZINC000834999829 584916898 /nfs/dbraw/zinc/91/68/98/584916898.db2.gz GQENQYSZXOTZAX-UHFFFAOYSA-N -1 3 211.236 2.680 20 30 BFEDHM CCC(CC)NN=Cc1ccccc1[O-] ZINC000734366466 584961038 /nfs/dbraw/zinc/96/10/38/584961038.db2.gz SSVLHVPEBPCNHB-UHFFFAOYSA-N -1 3 206.289 2.504 20 30 BFEDHM CCCON=Cc1c([O-])cccc1Cl ZINC000842551406 584968502 /nfs/dbraw/zinc/96/85/02/584968502.db2.gz AAALTIMSOLPRIQ-UHFFFAOYSA-N -1 3 213.664 2.806 20 30 BFEDHM O=C(/C=C\c1nccs1)c1cccc([O-])c1 ZINC000735228694 584974095 /nfs/dbraw/zinc/97/40/95/584974095.db2.gz FNWPXSOGAHOOCM-PLNGDYQASA-N -1 3 231.276 2.745 20 30 BFEDHM C=C(CC)COC(=O)Cc1ccc([O-])c(F)c1 ZINC000838142800 585047242 /nfs/dbraw/zinc/04/72/42/585047242.db2.gz BJSBJATVPGWPBT-UHFFFAOYSA-N -1 3 238.258 2.583 20 30 BFEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1CCSC1 ZINC000743044435 585133661 /nfs/dbraw/zinc/13/36/61/585133661.db2.gz JFPJIDOKRDJIMO-MBGMWABPSA-N -1 3 241.743 2.970 20 30 BFEDHM C=CCCCOC(=O)c1ccc(F)cc1[O-] ZINC000750148243 585211247 /nfs/dbraw/zinc/21/12/47/585211247.db2.gz YHXBRRQMBUKKJY-UHFFFAOYSA-N -1 3 224.231 2.654 20 30 BFEDHM CCCCCCCN=Nc1nc(C)cc(=O)[n-]1 ZINC000755457023 585300014 /nfs/dbraw/zinc/30/00/14/585300014.db2.gz XVKQUUFXBQRPOQ-UHFFFAOYSA-N -1 3 236.319 2.859 20 30 BFEDHM [O-]c1cccc(Cl)c1C=NNc1ccccn1 ZINC000755519376 585301164 /nfs/dbraw/zinc/30/11/64/585301164.db2.gz KMIOIMUIVGLVRD-UHFFFAOYSA-N -1 3 247.685 2.887 20 30 BFEDHM Cc1ccc([O-])c(C=NOCC(C)C)c1 ZINC000755802732 585307647 /nfs/dbraw/zinc/30/76/47/585307647.db2.gz WILVNNMMSPTYBG-UHFFFAOYSA-N -1 3 207.273 2.707 20 30 BFEDHM CC(=NO[C@@H]1CCCCO1)c1ccccc1[O-] ZINC000755821593 585308222 /nfs/dbraw/zinc/30/82/22/585308222.db2.gz NHRGLDMUGCAINY-CYBMUJFWSA-N -1 3 235.283 2.659 20 30 BFEDHM CC(=NOCC(F)F)c1ccc([O-])cc1F ZINC000758910651 585362603 /nfs/dbraw/zinc/36/26/03/585362603.db2.gz JOFMGNATIHVVPC-UHFFFAOYSA-N -1 3 233.189 2.537 20 30 BFEDHM N#CCCCCCC(=O)[N-]OC1CCCCC1 ZINC000805199741 585388065 /nfs/dbraw/zinc/38/80/65/585388065.db2.gz BURSIIKAXMHYBB-UHFFFAOYSA-N -1 3 238.331 2.841 20 30 BFEDHM [O-]c1ccccc1/C=N\Cc1ccc(F)cn1 ZINC000763098270 585443087 /nfs/dbraw/zinc/44/30/87/585443087.db2.gz UXLPINHDCLQELB-CHHVJCJISA-N -1 3 230.242 2.545 20 30 BFEDHM [O-]c1ccccc1/C=N\CCOCC1CCC1 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/nfs/dbraw/zinc/69/97/28/983699728.db2.gz QJEOEJJOSZNMCP-JTQLQIEISA-N -1 3 249.310 2.707 20 30 BFEDHM CC(C)n1nccc1-c1ccccc1C=N[O-] ZINC001242558556 983882751 /nfs/dbraw/zinc/88/27/51/983882751.db2.gz ONXOYITTXYJKFD-UHFFFAOYSA-N -1 3 229.283 2.939 20 30 BFEDHM C=CC[C@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001588736073 984022888 /nfs/dbraw/zinc/02/28/88/984022888.db2.gz REMBEXNHHFWACL-VHSXEESVSA-N -1 3 249.310 2.706 20 30 BFEDHM Cc1c(C#N)ccnc1-c1cc([O-])ccc1F ZINC001242761098 984127176 /nfs/dbraw/zinc/12/71/76/984127176.db2.gz OXJVFNVVWWZVOP-UHFFFAOYSA-N -1 3 228.226 2.773 20 30 BFEDHM [O-]/N=C/c1cccc(-c2cccc(CO)c2F)c1 ZINC001243141353 984598481 /nfs/dbraw/zinc/59/84/81/984598481.db2.gz SCOHVFSVCSSRLH-LZYBPNLTSA-N -1 3 245.253 2.793 20 30 BFEDHM Nc1ccc(F)c(-c2cccc(/C=N/[O-])c2)c1 ZINC001243286554 984814287 /nfs/dbraw/zinc/81/42/87/984814287.db2.gz SGAJUEYVKLAHLO-LZYBPNLTSA-N -1 3 230.242 2.883 20 30 BFEDHM CCCCN([O-])C(=O)c1ccc(C(C)C)cn1 ZINC001458025339 985255914 /nfs/dbraw/zinc/25/59/14/985255914.db2.gz TZIXNRQGWKKROB-UHFFFAOYSA-N -1 3 236.315 2.837 20 30 BFEDHM COc1cc([O-])ccc1-c1ncc(C)cc1C#N ZINC001243983083 985716836 /nfs/dbraw/zinc/71/68/36/985716836.db2.gz XVZLAHPAHHSZKR-UHFFFAOYSA-N -1 3 240.262 2.643 20 30 BFEDHM N#CCc1ncc(-c2c([O-])cccc2Cl)cn1 ZINC001244049405 985787004 /nfs/dbraw/zinc/78/70/04/985787004.db2.gz AKMHCIIPVFZBPT-UHFFFAOYSA-N -1 3 245.669 2.569 20 30 BFEDHM Cc1ccc([O-])c(-c2cc(C#N)c(C)cn2)c1 ZINC001244403576 986072480 /nfs/dbraw/zinc/07/24/80/986072480.db2.gz VBKMPSXQJYRNDA-UHFFFAOYSA-N -1 3 224.263 2.943 20 30 BFEDHM COc1c(O)cccc1-c1ccccc1C=N[O-] ZINC001244993429 986592508 /nfs/dbraw/zinc/59/25/08/986592508.db2.gz UIJNPNPAMQRQAI-UHFFFAOYSA-N -1 3 243.262 2.876 20 30 BFEDHM N#CCc1ccncc1-c1c([O-])cccc1F ZINC001245655343 987034494 /nfs/dbraw/zinc/03/44/94/987034494.db2.gz BUCSSECXRBHYBW-UHFFFAOYSA-N -1 3 228.226 2.659 20 30 BFEDHM CCCCN([O-])C(=O)CCO[C@H](C)CC(C)C ZINC001472620425 987250329 /nfs/dbraw/zinc/25/03/29/987250329.db2.gz BDLRVVOLLCDJES-GFCCVEGCSA-N -1 3 245.363 2.846 20 30 BFEDHM CCCCN([O-])C(=O)CCO[C@@H](C)CC(C)C ZINC001472620426 987251822 /nfs/dbraw/zinc/25/18/22/987251822.db2.gz BDLRVVOLLCDJES-LBPRGKRZSA-N -1 3 245.363 2.846 20 30 BFEDHM CCCCCCN([O-])C(=O)[C@@H](OCC)C(C)C ZINC001472620992 987255839 /nfs/dbraw/zinc/25/58/39/987255839.db2.gz BKANRGKKEJVRJS-LBPRGKRZSA-N -1 3 245.363 2.846 20 30 BFEDHM CCCCCCN([O-])C(=O)c1cccnc1F ZINC001472621007 987260165 /nfs/dbraw/zinc/26/01/65/987260165.db2.gz CFYDZMFBBSTQFB-UHFFFAOYSA-N -1 3 240.278 2.632 20 30 BFEDHM C=C(C)CCC(=O)NCc1c([O-])cccc1F ZINC001120697712 989834465 /nfs/dbraw/zinc/83/44/65/989834465.db2.gz XTZIQXIPRRVXSY-UHFFFAOYSA-N -1 3 237.274 2.504 20 30 BFEDHM CCCCN([O-])C(=O)[C@H]1CCC[C@H]1CC ZINC001559035122 991023421 /nfs/dbraw/zinc/02/34/21/991023421.db2.gz CTUGRARVKDGJKN-MNOVXSKESA-N -1 3 213.321 2.831 20 30 BFEDHM CCCCN([O-])C(=O)[C@H](C)[C@H](C)CC ZINC001559035533 991023704 /nfs/dbraw/zinc/02/37/04/991023704.db2.gz VGCNPZHYMPYNDD-NXEZZACHSA-N -1 3 201.310 2.687 20 30 BFEDHM C=C(C)CCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001262624472 992974535 /nfs/dbraw/zinc/97/45/35/992974535.db2.gz IGNAOMPABQPICR-UHFFFAOYSA-N -1 3 247.294 2.890 20 30 BFEDHM CCCCCCN([O-])C(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC001306896904 995270837 /nfs/dbraw/zinc/27/08/37/995270837.db2.gz QTUGUOCPMDXRSC-IJLUTSLNSA-N -1 3 243.347 2.598 20 30 BFEDHM CCCCCCN([O-])C(=O)CCn1cccc1 ZINC001306896741 995271295 /nfs/dbraw/zinc/27/12/95/995271295.db2.gz KRXXZBSOVUBSSQ-UHFFFAOYSA-N -1 3 238.331 2.676 20 30 BFEDHM