smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC(=O)Nc1c(F)cccc1F)Cc1ccccc1 ZINC000082049851 1126754775 /nfs/dbraw/zinc/75/47/75/1126754775.db2.gz FPPSYTBCDZGAQE-UHFFFAOYSA-N 0 0 290.313 3.685 50 30 CHEARN C1=C[C@@H]2C(N=Nc3nc4ccccc4s3)C[C@H]2C1 ZINC000254406145 1127092062 /nfs/dbraw/zinc/09/20/62/1127092062.db2.gz BTXSZCRXTAREAT-ZJUUUORDSA-N 0 0 255.346 3.660 50 30 CHEARN C1=C[C@H]2C(N=Nc3nc4ccccc4s3)C[C@H]2C1 ZINC000254406138 1127092235 /nfs/dbraw/zinc/09/22/35/1127092235.db2.gz BTXSZCRXTAREAT-NXEZZACHSA-N 0 0 255.346 3.660 50 30 CHEARN C[C@@H]1CCC[C@H](C)N1N=Cc1c(F)cccc1F ZINC000254747062 1127153212 /nfs/dbraw/zinc/15/32/12/1127153212.db2.gz QTOQJADUWOLWFL-PHIMTYICSA-N 0 0 252.308 3.562 50 30 CHEARN Cc1c2ccccc2sc1C(=O)/C=C/c1cnn(C)c1 ZINC000012866864 1127934166 /nfs/dbraw/zinc/93/41/66/1127934166.db2.gz DRVHSZUEEVXPNI-BQYQJAHWSA-N 0 0 282.368 3.839 50 30 CHEARN CN(C)c1ccc(C(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000035125023 1128258641 /nfs/dbraw/zinc/25/86/41/1128258641.db2.gz JJJZAFVXBXNRCB-XGICHPGQSA-N 0 0 269.319 3.788 50 30 CHEARN CCc1c2cc(C)ccc2oc1C(=O)/C=C/c1cnn(C)c1 ZINC000032888143 1128423146 /nfs/dbraw/zinc/42/31/46/1128423146.db2.gz JCBITWAAWVHMDD-VOTSOKGWSA-N 0 0 294.354 3.933 50 30 CHEARN CCOc1cc(/C=C\C(=O)c2ccc(C#N)cc2)ccc1O ZINC000033411637 1128521968 /nfs/dbraw/zinc/52/19/68/1128521968.db2.gz VEFSVXDVSKGTLS-UITAMQMPSA-N 0 0 293.322 3.559 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000033409685 1119024163 /nfs/dbraw/zinc/02/41/63/1119024163.db2.gz SOOSEORTRSWTNW-VURMDHGXSA-N 0 0 289.312 3.561 50 30 CHEARN O=C(/C=C/c1ccccc1)c1c(Cl)nc2ccccn21 ZINC000078023183 1128893740 /nfs/dbraw/zinc/89/37/40/1128893740.db2.gz HIQQEJXOAIMIKY-MDZDMXLPSA-N 0 0 282.730 3.884 50 30 CHEARN CC(C)(C)[C@]1([C@@H]2O[C@@H]2c2ccc(Cl)cc2)CO1 ZINC000013764434 1120197309 /nfs/dbraw/zinc/19/73/09/1120197309.db2.gz NTXHEYMUPOIYSN-YRGRVCCFSA-N 0 0 252.741 3.595 50 30 CHEARN Cc1ccc(Cl)c2sc(NC(=O)C3(C)COC3)nc21 ZINC000329281914 1120318518 /nfs/dbraw/zinc/31/85/18/1120318518.db2.gz FFKINQJJOSZMPY-UHFFFAOYSA-N 0 0 296.779 3.883 50 30 CHEARN C(=N/CCc1c[nH]c2ccccc12)\c1ccc2c(c1)OCO2 ZINC000196908627 1128908669 /nfs/dbraw/zinc/90/86/69/1128908669.db2.gz QAQKPIYOJBRISQ-VXLYETTFSA-N 0 0 292.338 3.558 50 30 CHEARN Cc1nc(C#N)c(NCc2ccc(-c3ccccc3F)o2)o1 ZINC000046085579 1120787594 /nfs/dbraw/zinc/78/75/94/1120787594.db2.gz CUJPFQULKHHZKN-UHFFFAOYSA-N 0 0 297.289 3.866 50 30 CHEARN CCCCCCCCNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245238498 1121174454 /nfs/dbraw/zinc/17/44/54/1121174454.db2.gz ROHFENCCRMZGFO-FICVDOATSA-N 0 0 251.414 3.899 50 30 CHEARN Cc1ccccc1/C=C\C(=O)c1cccc([N+](=O)[O-])c1 ZINC000096766422 1121686446 /nfs/dbraw/zinc/68/64/46/1121686446.db2.gz QSAZXKPKNZHLPJ-KTKRTIGZSA-N 0 0 267.284 3.799 50 30 CHEARN C=C1CCC(NC(=O)CCc2cccc(Cl)c2)CC1 ZINC000618256123 1121701497 /nfs/dbraw/zinc/70/14/97/1121701497.db2.gz DHSMMDOXQIHEIL-UHFFFAOYSA-N 0 0 277.795 3.888 50 30 CHEARN C[C@H](Sc1ccccc1)C(=O)Nc1sccc1C#N ZINC000012599211 1122739539 /nfs/dbraw/zinc/73/95/39/1122739539.db2.gz IEMNMBXHBPGSNT-JTQLQIEISA-N 0 0 288.397 3.739 50 30 CHEARN C=C(C)CNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000004047809 1122881047 /nfs/dbraw/zinc/88/10/47/1122881047.db2.gz OCIQICOBRHCWHH-UHFFFAOYSA-N 0 0 274.311 3.568 50 30 CHEARN COc1ccc(C(=O)Nc2cc(C#N)ccc2SC)cc1 ZINC000001383051 1123140803 /nfs/dbraw/zinc/14/08/03/1123140803.db2.gz HJDDVGXCUUDYFP-UHFFFAOYSA-N 0 0 298.367 3.541 50 30 CHEARN CCc1cc(OCC2(CC#N)CC2)c2ccccc2n1 ZINC000596263202 1123784814 /nfs/dbraw/zinc/78/48/14/1123784814.db2.gz AVLNHTBCRWLHTO-UHFFFAOYSA-N 0 0 266.344 3.870 50 30 CHEARN COc1ccc(C)cc1C(=O)/C=C/c1ccc(F)c(C#N)c1 ZINC000089611860 1124896725 /nfs/dbraw/zinc/89/67/25/1124896725.db2.gz CCSALSJAJBHLAE-FNORWQNLSA-N 0 0 295.313 3.911 50 30 CHEARN COc1ccc(CSc2nc(C)cc(C)c2C#N)cc1 ZINC000000617579 1125422843 /nfs/dbraw/zinc/42/28/43/1125422843.db2.gz UKTLVJYAGUZXOL-UHFFFAOYSA-N 0 0 284.384 3.871 50 30 CHEARN CC(=NNC(=S)NC1CCCCC1)c1ccc(C)cc1 ZINC000254401372 1129693058 /nfs/dbraw/zinc/69/30/58/1129693058.db2.gz DHVLPLBQLIHCEY-UHFFFAOYSA-N 0 0 289.448 3.516 50 30 CHEARN Cc1ccc2cc(C)c(NN=Cc3cccnc3)nc2c1 ZINC000254449019 1129695346 /nfs/dbraw/zinc/69/53/46/1129695346.db2.gz KCVVYUKNOSWKCX-UHFFFAOYSA-N 0 0 276.343 3.693 50 30 CHEARN CCON=Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000254463917 1129696112 /nfs/dbraw/zinc/69/61/12/1129696112.db2.gz UGMUETRRXCEQMX-UHFFFAOYSA-N 0 0 299.330 3.733 50 30 CHEARN Cc1nc2ccccc2n1N=CC1=Cc2ccccc2OC1 ZINC000254483021 1129696890 /nfs/dbraw/zinc/69/68/90/1129696890.db2.gz NLMDMSFOVHMUDG-UHFFFAOYSA-N 0 0 289.338 3.655 50 30 CHEARN Cc1ccc(NC(=S)NN=C2C[C@H]3CC=C[C@@H]23)c(C)c1 ZINC000254614823 1129702729 /nfs/dbraw/zinc/70/27/29/1129702729.db2.gz AVLRAPXDMAWMOO-CHWSQXEVSA-N 0 0 285.416 3.542 50 30 CHEARN COc1ccccc1CC(C)N=Nc1ccc([N+](=O)[O-])cc1 ZINC000254732903 1129706512 /nfs/dbraw/zinc/70/65/12/1129706512.db2.gz MHZZJHCLZWLWJY-UHFFFAOYSA-N 0 0 299.330 3.634 50 30 CHEARN Cc1ccc(N=Cc2ccc3c(c2)OCCO3)cc1C ZINC000254766296 1129709900 /nfs/dbraw/zinc/70/99/00/1129709900.db2.gz MDWGGAKWPQGBFC-UHFFFAOYSA-N 0 0 267.328 3.825 50 30 CHEARN CCc1ccc(C=NNC(=S)Nc2ccc(C)cc2)cc1 ZINC000254790410 1129710504 /nfs/dbraw/zinc/71/05/04/1129710504.db2.gz FZEVMMCDXWPAFQ-UHFFFAOYSA-N 0 0 297.427 3.878 50 30 CHEARN Cc1ccsc1C=Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000254839581 1129713657 /nfs/dbraw/zinc/71/36/57/1129713657.db2.gz BCBVAQOSNJOLMG-UHFFFAOYSA-N 0 0 264.281 3.854 50 30 CHEARN O=C1CCCC2=C1[C@@H](c1cccnc1)Nc1ccccc1N2 ZINC000000106622 1129722912 /nfs/dbraw/zinc/72/29/12/1129722912.db2.gz MSQMSFZBKHWHKW-GOSISDBHSA-N 0 0 291.354 3.667 50 30 CHEARN C=CCN(Cc1ccccc1C)C(=O)[C@H](C)n1cccc1 ZINC000952873092 1132014756 /nfs/dbraw/zinc/01/47/56/1132014756.db2.gz VCAGUSSAQKWGCM-INIZCTEOSA-N 0 0 282.387 3.572 50 30 CHEARN Oc1ccccc1/N=C/c1ccc(Br)cc1 ZINC000017781814 230371915 /nfs/dbraw/zinc/37/19/15/230371915.db2.gz XHIIEEPPCLKWQN-OQLLNIDSSA-N 0 0 276.133 3.905 50 30 CHEARN N#CCc1c(Cl)cc(OC(F)F)cc1Cl ZINC000263622936 230402061 /nfs/dbraw/zinc/40/20/61/230402061.db2.gz CGRPZNUQKYQNCZ-UHFFFAOYSA-N 0 0 252.047 3.661 50 30 CHEARN C#CC[C@H](OC(=O)CCc1ccsc1)C(C)(C)C ZINC000095942829 185037295 /nfs/dbraw/zinc/03/72/95/185037295.db2.gz ZFKATAOUUKZLHT-ZDUSSCGKSA-N 0 0 264.390 3.662 50 30 CHEARN Cc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000095972541 185049441 /nfs/dbraw/zinc/04/94/41/185049441.db2.gz MSRNSVNXYVLGDU-GFCCVEGCSA-N 0 0 281.315 3.948 50 30 CHEARN O=C(/C=C\c1ccccc1C(F)(F)F)c1cccnc1 ZINC000096766344 185112471 /nfs/dbraw/zinc/11/24/71/185112471.db2.gz AOOPSEWBGXSMSZ-FPLPWBNLSA-N 0 0 277.245 3.997 50 30 CHEARN O=C(/C=C\c1cccc(O)c1)c1nc2ccccc2s1 ZINC000096861704 185118010 /nfs/dbraw/zinc/11/80/10/185118010.db2.gz ZTQFKKCJJJKPPK-HJWRWDBZSA-N 0 0 281.336 3.898 50 30 CHEARN O=C(/C=C\c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000096920189 185129816 /nfs/dbraw/zinc/12/98/16/185129816.db2.gz MAKCUKCXZORFHH-QXMHVHEDSA-N 0 0 291.350 3.710 50 30 CHEARN CCOc1ccccc1/C=C\C(=O)c1ccc(C)o1 ZINC000096920967 185130193 /nfs/dbraw/zinc/13/01/93/185130193.db2.gz VDPFMGCDSRWEQX-KTKRTIGZSA-N 0 0 256.301 3.883 50 30 CHEARN CCc1ccc(/C=C2/Cc3c(cccc3O)C2=O)cc1 ZINC000096931939 185131823 /nfs/dbraw/zinc/13/18/23/185131823.db2.gz HBWMMFFIAKGGFO-UVTDQMKNSA-N 0 0 264.324 3.777 50 30 CHEARN O=C1c2cccc(O)c2C/C1=C\c1ccccc1Cl ZINC000096931908 185132456 /nfs/dbraw/zinc/13/24/56/185132456.db2.gz QPELJVLXGRLPFO-DHZHZOJOSA-N 0 0 270.715 3.868 50 30 CHEARN CC[C@H](C#N)SCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000127929548 187342050 /nfs/dbraw/zinc/34/20/50/187342050.db2.gz XDGWEIYNVWYBEA-CYBMUJFWSA-N 0 0 298.452 3.669 50 30 CHEARN CN(C)c1ccc(C(=O)C=Cc2c[nH]nc2C(C)(C)C)cc1 ZINC000127369396 187300741 /nfs/dbraw/zinc/30/07/41/187300741.db2.gz IFPXQZGHCDVLNW-FLIBITNWSA-N 0 0 297.402 3.669 50 30 CHEARN O=C(/C=C1\C(=O)Nc2c1cccc2Cl)c1ccsc1 ZINC000102471884 185778826 /nfs/dbraw/zinc/77/88/26/185778826.db2.gz SGDBJGBSODWVMV-POHAHGRESA-N 0 0 289.743 3.620 50 30 CHEARN C[C@H](CC#N)N(C)C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000108347710 186213016 /nfs/dbraw/zinc/21/30/16/186213016.db2.gz UWFCBRYSHBYQKH-MCIONIFRSA-N 0 0 264.413 3.599 50 30 CHEARN CC(C)(C)CN(C(=O)c1ccnc(C#N)c1)c1ccccc1 ZINC000225473552 189753528 /nfs/dbraw/zinc/75/35/28/189753528.db2.gz BNESPLIMRXVBDS-UHFFFAOYSA-N 0 0 293.370 3.646 50 30 CHEARN COC(=O)CC1=C(C)C(=O)C[C@@H]2C(C)(C)CCC[C@@]12C ZINC000000034194 169511220 /nfs/dbraw/zinc/51/12/20/169511220.db2.gz YTAQULCZDXWXPY-PBHICJAKSA-N 0 0 278.392 3.671 50 30 CHEARN Cc1cc(C)c(C#N)c(SCc2ccccc2)n1 ZINC000000075833 169527651 /nfs/dbraw/zinc/52/76/51/169527651.db2.gz GHNLSSZWWAAOHP-UHFFFAOYSA-N 0 0 254.358 3.862 50 30 CHEARN CC1(C)CC(=O)C(=CNc2ccccc2Cl)C(=O)C1 ZINC000000095764 169534614 /nfs/dbraw/zinc/53/46/14/169534614.db2.gz RZJQWPKIVQACNN-UHFFFAOYSA-N 0 0 277.751 3.594 50 30 CHEARN COc1cc(/C=C2\CCc3ccccc3C2=O)cc(OC)c1 ZINC000000102632 169536881 /nfs/dbraw/zinc/53/68/81/169536881.db2.gz IVNGYELMFVKLIV-OQLLNIDSSA-N 0 0 294.350 3.916 50 30 CHEARN CCOC(=O)c1ccc(/N=C/c2ccc(OC)cc2)cc1 ZINC000000131075 169547989 /nfs/dbraw/zinc/54/79/89/169547989.db2.gz FCDJQSCCAKVJQM-LDADJPATSA-N 0 0 283.327 3.623 50 30 CHEARN CC[C@@]1(C)C[C@@](CC#N)(c2ccc(F)cc2)CCO1 ZINC000000171711 169562991 /nfs/dbraw/zinc/56/29/91/169562991.db2.gz FBGYDEXBNJZDHN-HOTGVXAUSA-N 0 0 261.340 3.956 50 30 CHEARN C=CCn1c2ccccc2nc1-c1ccc(N(C)C)cc1 ZINC000000304561 169603258 /nfs/dbraw/zinc/60/32/58/169603258.db2.gz BGESQQAPXGWHGG-UHFFFAOYSA-N 0 0 277.371 3.955 50 30 CHEARN C=CCN(CC=C)C(=O)Nc1cccc(Cl)c1OC ZINC000000397156 169629763 /nfs/dbraw/zinc/62/97/63/169629763.db2.gz JWIFDCGPLIBHNU-UHFFFAOYSA-N 0 0 280.755 3.555 50 30 CHEARN C(=N/N=C(c1ccccc1)c1ccccc1)\c1ccccn1 ZINC000000432831 169639144 /nfs/dbraw/zinc/63/91/44/169639144.db2.gz SEGYUGCPFSDSSP-RCCKNPSSSA-N 0 0 285.350 3.953 50 30 CHEARN CC(C)c1cnc(SC[C@H](C#N)CCC#N)n1C1CC1 ZINC000096417585 256789724 /nfs/dbraw/zinc/78/97/24/256789724.db2.gz RQMXOXGKXIBHIH-LBPRGKRZSA-N 0 0 288.420 3.877 50 30 CHEARN CC(C)(CC#N)CNC(=O)c1csc2ccccc21 ZINC000315788236 256848281 /nfs/dbraw/zinc/84/82/81/256848281.db2.gz NPIYHRSYVPJXJE-UHFFFAOYSA-N 0 0 272.373 3.571 50 30 CHEARN CCCCCCCCCCC[C@H](O)CC(=O)OC ZINC000072399949 256879434 /nfs/dbraw/zinc/87/94/34/256879434.db2.gz UOZZAMWODZQSOA-AWEZNQCLSA-N 0 0 258.402 3.831 50 30 in-vitro CHEARN CC[C@@H](C)Nc1oc(-c2cccc(F)c2)nc1C#N ZINC000096346101 256890102 /nfs/dbraw/zinc/89/01/02/256890102.db2.gz JIWXRFWNUPIKJN-SECBINFHSA-N 0 0 259.284 3.563 50 30 CHEARN N#Cc1ccccc1-c1ccccc1C(=O)N1CCCCC1 ZINC000000621716 169677361 /nfs/dbraw/zinc/67/73/61/169677361.db2.gz CPMOKSQXNFQOHH-UHFFFAOYSA-N 0 0 290.366 3.851 50 30 CHEARN Clc1nnc(N=NC2CCCC2)c2ccccc12 ZINC000001306674 169694809 /nfs/dbraw/zinc/69/48/09/169694809.db2.gz ZWHQQFNVFAAUNN-UHFFFAOYSA-N 0 0 260.728 3.625 50 30 CHEARN N#Cc1c(Cl)nsc1N1CCC(Cl)=C(Cl)C1 ZINC000095467537 184995071 /nfs/dbraw/zinc/99/50/71/184995071.db2.gz JEGHBQCXJZNKLM-UHFFFAOYSA-N 0 0 294.594 3.567 50 30 CHEARN C=CCn1cnc2cc(Br)cc(Cl)c21 ZINC000238566087 131079776 /nfs/dbraw/zinc/07/97/76/131079776.db2.gz IXAQIWMNMWGXEO-UHFFFAOYSA-N 0 0 271.545 3.638 50 30 CHEARN N#CC(C#N)[C@H](CC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000002478207 169793726 /nfs/dbraw/zinc/79/37/26/169793726.db2.gz KMQCNCUIBNCUCT-QGZVFWFLSA-N 0 0 292.313 3.846 50 30 CHEARN Cc1cccc(CCC(=O)c2ccc(C#N)cc2)c1C ZINC000002517428 169799670 /nfs/dbraw/zinc/79/96/70/169799670.db2.gz YMRDLHAICUXQHN-UHFFFAOYSA-N 0 0 263.340 3.991 50 30 CHEARN CCSc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000002707700 169821548 /nfs/dbraw/zinc/82/15/48/169821548.db2.gz JBLZUCBZESQJIT-UHFFFAOYSA-N 0 0 267.357 3.780 50 30 CHEARN C=CCN(CC=C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000002747235 169824876 /nfs/dbraw/zinc/82/48/76/169824876.db2.gz DSUFIHMUJOQIFO-UHFFFAOYSA-N 0 0 257.377 3.798 50 30 CHEARN COc1cc(C#N)ccc1OCc1ccc(Cl)cc1 ZINC000002887803 169841526 /nfs/dbraw/zinc/84/15/26/169841526.db2.gz BCZGVIIJSNPFKT-UHFFFAOYSA-N 0 0 273.719 3.799 50 30 CHEARN Cc1ccc(C(=O)/C=C/C(=O)c2ccccc2)cc1 ZINC000003122363 169857987 /nfs/dbraw/zinc/85/79/87/169857987.db2.gz XGLDFBYLSWWPQM-VAWYXSNFSA-N 0 0 250.297 3.617 50 30 CHEARN Cc1cc(C)c(NC(=O)COc2ccccc2C#N)c(C)c1 ZINC000003445516 169888571 /nfs/dbraw/zinc/88/85/71/169888571.db2.gz JVPPCTJXJCZZKA-UHFFFAOYSA-N 0 0 294.354 3.501 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1 ZINC000003894525 169921249 /nfs/dbraw/zinc/92/12/49/169921249.db2.gz HDXVSZWKIHQDES-LFYBBSHMSA-N 0 0 268.312 3.600 50 30 CHEARN Cc1ccc(/C=N/NC(=S)Nc2cccc(C)c2)cc1 ZINC000004231446 169946621 /nfs/dbraw/zinc/94/66/21/169946621.db2.gz UYKUKIBYZVBZSB-GZTJUZNOSA-N 0 0 283.400 3.624 50 30 CHEARN COc1cccc(C(=O)/C=C/c2cccc(F)c2)c1 ZINC000004317036 169956722 /nfs/dbraw/zinc/95/67/22/169956722.db2.gz WUBDSBOMUNXOIG-CMDGGOBGSA-N 0 0 256.276 3.730 50 30 CHEARN N#Cc1ccsc1NC(=O)c1ccc(Cl)cc1 ZINC000004330524 169958199 /nfs/dbraw/zinc/95/81/99/169958199.db2.gz UVKHKMHWWOHXAZ-UHFFFAOYSA-N 0 0 262.721 3.525 50 30 CHEARN O=C(/C=C\c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004582561 169986716 /nfs/dbraw/zinc/98/67/16/169986716.db2.gz YMQIOFDMELMTTG-KMKOMSMNSA-N 0 0 271.247 3.630 50 30 CHEARN CC(C)C1=CC(=Nc2nccs2)C=C(C(C)C)C1=O ZINC000004697067 170000907 /nfs/dbraw/zinc/00/09/07/170000907.db2.gz NIDONPKKIQGLHJ-UHFFFAOYSA-N 0 0 274.389 3.963 50 30 CHEARN CN(C)c1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000004738049 170008448 /nfs/dbraw/zinc/00/84/48/170008448.db2.gz JJJZAFVXBXNRCB-LFYBBSHMSA-N 0 0 269.319 3.788 50 30 CHEARN O=C(Nc1ccc(F)cc1)ON=C1CCCCC1 ZINC000004794781 170018486 /nfs/dbraw/zinc/01/84/86/170018486.db2.gz CRYFTVQIJZROMM-UHFFFAOYSA-N 0 0 250.273 3.694 50 30 CHEARN N#Cc1ccc(C(O)(c2ccccc2)c2ccccc2)cc1 ZINC000004798575 170019475 /nfs/dbraw/zinc/01/94/75/170019475.db2.gz HLEBLTLDIXQPRJ-UHFFFAOYSA-N 0 0 285.346 3.842 50 30 CHEARN N#CCSc1sc(=S)sc1SCC#N ZINC000004838497 170026850 /nfs/dbraw/zinc/02/68/50/170026850.db2.gz VPVSNJFDOVTMGF-UHFFFAOYSA-N 0 0 276.458 3.770 50 30 CHEARN C[C@@H](CN=Nc1nc2ccccc2[nH]1)c1ccccc1 ZINC000004864199 170032572 /nfs/dbraw/zinc/03/25/72/170032572.db2.gz LBGQVLARMMBDQC-OOIIIRTPSA-N 0 0 264.332 3.764 50 30 CHEARN CSc1ccccc1NC(=O)c1ccc(C#N)cc1F ZINC000004866175 170032961 /nfs/dbraw/zinc/03/29/61/170032961.db2.gz YKXGSLZJIDAIJA-UHFFFAOYSA-N 0 0 286.331 3.672 50 30 CHEARN CCc1cc2c(ncnc2N=NCc2ccccc2)s1 ZINC000004888902 170036223 /nfs/dbraw/zinc/03/62/23/170036223.db2.gz BYELANXEEQSWFL-GIJQJNRQSA-N 0 0 282.372 3.700 50 30 CHEARN COc1ccc(C(=O)/C=C/c2sccc2C)cc1OC ZINC000004904660 170038982 /nfs/dbraw/zinc/03/89/82/170038982.db2.gz GAKJKDNFDNZMEU-FNORWQNLSA-N 0 0 288.368 3.970 50 30 CHEARN COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC ZINC000004996070 170051783 /nfs/dbraw/zinc/05/17/83/170051783.db2.gz MFDFEQQOFGIZAS-MDZDMXLPSA-N 0 0 298.338 3.609 50 30 biogenic CHEARN COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000004997375 170052295 /nfs/dbraw/zinc/05/22/95/170052295.db2.gz KDGUURGSSDZPQG-UXBLZVDNSA-N 0 0 298.338 3.609 50 30 CHEARN O=C(C=CNc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000004997338 170052391 /nfs/dbraw/zinc/05/23/91/170052391.db2.gz BZIVQDOGNRWCEG-AATRIKPKSA-N 0 0 292.678 3.650 50 30 CHEARN O=C(/C=C/c1cc(Br)ccc1O)c1ccco1 ZINC000005022065 170057312 /nfs/dbraw/zinc/05/73/12/170057312.db2.gz HFQWTDLTLXWXHX-HWKANZROSA-N 0 0 293.116 3.644 50 30 CHEARN N#C[C@H]1C(=S)NC2=C(CCCC2)C12CCCCC2 ZINC000005044027 170060341 /nfs/dbraw/zinc/06/03/41/170060341.db2.gz NBQLMTHFUYOGJT-LBPRGKRZSA-N 0 0 260.406 3.835 50 30 CHEARN C=CCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000005093429 170065936 /nfs/dbraw/zinc/06/59/36/170065936.db2.gz GKROSZKKULVOCT-UHFFFAOYSA-N 0 0 261.409 3.675 50 30 CHEARN C/C(=N\O)c1ccc(-c2ccc(/C(C)=N/O)cc2)cc1 ZINC000005282405 170082521 /nfs/dbraw/zinc/08/25/21/170082521.db2.gz GTXASSDHCQYBPP-JYFOCSDGSA-N 0 0 268.316 3.750 50 30 CHEARN COc1cccc(/C=N/Cc2cccc(Cl)c2)c1O ZINC000005287506 170083153 /nfs/dbraw/zinc/08/31/53/170083153.db2.gz NVPKWRNIVYSQFZ-LICLKQGHSA-N 0 0 275.735 3.673 50 30 CHEARN CCc1sc(C(=O)OCc2ccc(C#N)cc2)cc1C ZINC000005364567 170089761 /nfs/dbraw/zinc/08/97/61/170089761.db2.gz WTMDAFAGVVBGOY-UHFFFAOYSA-N 0 0 285.368 3.848 50 30 CHEARN CSc1ccccc1NC(=O)c1ccc(C#N)cc1 ZINC000005443583 170099874 /nfs/dbraw/zinc/09/98/74/170099874.db2.gz MYIQNRHFDHPWFL-UHFFFAOYSA-N 0 0 268.341 3.532 50 30 CHEARN CC[C@H]1S/C(=N\c2cccc(Cl)c2Cl)NC1=O ZINC000005468166 170102128 /nfs/dbraw/zinc/10/21/28/170102128.db2.gz BWPQJCNEHOECPD-MRVPVSSYSA-N 0 0 289.187 3.623 50 30 CHEARN C[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000005483803 170104095 /nfs/dbraw/zinc/10/40/95/170104095.db2.gz PZLDDHZYPCCXCF-JTQLQIEISA-N 0 0 256.349 3.556 50 30 CHEARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000005514113 170106926 /nfs/dbraw/zinc/10/69/26/170106926.db2.gz RPDSMZSHZPMPDV-VMPITWQZSA-N 0 0 259.286 3.552 50 30 CHEARN C[C@H]1CC(=O)C=C(Nc2ccccc2Br)C1 ZINC000005586999 170116615 /nfs/dbraw/zinc/11/66/15/170116615.db2.gz RDQSPFDYPQPHMZ-SECBINFHSA-N 0 0 280.165 3.744 50 30 CHEARN CC[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000005663630 170125507 /nfs/dbraw/zinc/12/55/07/170125507.db2.gz LACVQCNLGZFCJS-INIZCTEOSA-N 0 0 264.328 3.691 50 30 CHEARN C=CCn1c(CCC2CCCCC2)n[nH]c1=S ZINC000005828992 170144583 /nfs/dbraw/zinc/14/45/83/170144583.db2.gz FWLZMEMFVIBISE-UHFFFAOYSA-N 0 0 251.399 3.640 50 30 CHEARN C=CCOc1ccccc1C(=O)NCCC1=CCCCC1 ZINC000005830823 170145005 /nfs/dbraw/zinc/14/50/05/170145005.db2.gz KTVFBVBMGMHPPM-UHFFFAOYSA-N 0 0 285.387 3.872 50 30 CHEARN C=CCn1c(C)cc(-c2csc(NCC)n2)c1C ZINC000005861096 170148280 /nfs/dbraw/zinc/14/82/80/170148280.db2.gz CLNSQWPZLVAXBW-UHFFFAOYSA-N 0 0 261.394 3.846 50 30 CHEARN CCc1ccc(CC)c(C(=O)COc2ccc(C#N)cc2)c1 ZINC000005868140 170148622 /nfs/dbraw/zinc/14/86/22/170148622.db2.gz JCHISESJPGYAKX-UHFFFAOYSA-N 0 0 293.366 3.945 50 30 CHEARN Cc1cccc(N/N=C2\Sc3ccccc3C2=O)c1 ZINC000005981538 170165510 /nfs/dbraw/zinc/16/55/10/170165510.db2.gz KUSRWYOQMPJCKH-ICFOKQHNSA-N 0 0 268.341 3.709 50 30 CHEARN C[C@@H](SCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000006313943 170190677 /nfs/dbraw/zinc/19/06/77/170190677.db2.gz BYIRIMOWSIJXHY-CYBMUJFWSA-N 0 0 296.395 3.991 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1O ZINC000006337327 170193483 /nfs/dbraw/zinc/19/34/83/170193483.db2.gz GNIRLNJMEVZYCW-QHHAFSJGSA-N 0 0 290.265 3.575 50 30 CHEARN COc1ccc(OC)c(C(=O)/C=C/c2ccc(C)s2)c1 ZINC000006341402 170194117 /nfs/dbraw/zinc/19/41/17/170194117.db2.gz RFWGFLMKERETJP-BQYQJAHWSA-N 0 0 288.368 3.970 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1O ZINC000006340776 170194118 /nfs/dbraw/zinc/19/41/18/170194118.db2.gz UXSZLRVSUCTYIK-VMPITWQZSA-N 0 0 282.339 3.914 50 30 CHEARN CCn1ccc(C(=O)/C=C/c2c(F)cccc2Cl)n1 ZINC000006490332 170206189 /nfs/dbraw/zinc/20/61/89/170206189.db2.gz MOSWFHICRDHEQR-VOTSOKGWSA-N 0 0 278.714 3.592 50 30 CHEARN C=CCn1c(=S)[nH]nc1-c1csc2c1CCCC2 ZINC000006492927 170206720 /nfs/dbraw/zinc/20/67/20/170206720.db2.gz ACSLHLWGQNHDRT-UHFFFAOYSA-N 0 0 277.418 3.734 50 30 CHEARN Cc1nn(C)cc1/C=C/C(=O)c1ccc(Cl)cc1Cl ZINC000006527174 170210262 /nfs/dbraw/zinc/21/02/62/170210262.db2.gz JRKPGJDYFBUOPY-ZZXKWVIFSA-N 0 0 295.169 3.931 50 30 CHEARN CCOc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1OC ZINC000006537778 170211349 /nfs/dbraw/zinc/21/13/49/170211349.db2.gz UGHJVFDKGIBIRI-ONNFQVAWSA-N 0 0 298.338 3.696 50 30 CHEARN CCn1cc(Cl)c(/C=C/C(=O)c2ccc(C)cc2)n1 ZINC000006635957 170220852 /nfs/dbraw/zinc/22/08/52/170220852.db2.gz CHAZEMPFEIPYBX-CMDGGOBGSA-N 0 0 274.751 3.761 50 30 CHEARN COc1ccc2c(c1)CC/C(=C/c1cccc(O)c1)C2=O ZINC000006646646 170221971 /nfs/dbraw/zinc/22/19/71/170221971.db2.gz YCJRLQLBVQTRKV-ZROIWOOFSA-N 0 0 280.323 3.613 50 30 CHEARN CC(=CC(=O)c1ccc(Cl)cc1)NCc1ccco1 ZINC000006652133 170222471 /nfs/dbraw/zinc/22/24/71/170222471.db2.gz YVDQZZYUNNTALB-PKNBQFBNSA-N 0 0 275.735 3.809 50 30 CHEARN CN(CC#C[C@]1(C)CCCC(C)(C)O1)c1ccccc1 ZINC000006659254 170223224 /nfs/dbraw/zinc/22/32/24/170223224.db2.gz WZLWKMFVYDGVKL-SFHVURJKSA-N 0 0 271.404 3.864 50 30 CHEARN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000006702004 170229869 /nfs/dbraw/zinc/22/98/69/170229869.db2.gz QYUPTIKCCHBGHL-AWEZNQCLSA-N 0 0 294.354 3.581 50 30 CHEARN CC(C)Oc1cccc(C(=O)Nc2ccc(C#N)cc2)c1 ZINC000006703363 170230314 /nfs/dbraw/zinc/23/03/14/170230314.db2.gz WWWZCSWWWHRFMN-UHFFFAOYSA-N 0 0 280.327 3.598 50 30 CHEARN C=CCOc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000006703541 170230737 /nfs/dbraw/zinc/23/07/37/170230737.db2.gz HKEDLHZGXVFFIL-UHFFFAOYSA-N 0 0 268.316 3.895 50 30 CHEARN C#CC(CC)(CC)NC(=O)Nc1ccccc1Cl ZINC000006725321 170232376 /nfs/dbraw/zinc/23/23/76/170232376.db2.gz WVQRWHOHXLZCST-UHFFFAOYSA-N 0 0 264.756 3.654 50 30 CHEARN C=CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000006744858 170238855 /nfs/dbraw/zinc/23/88/55/170238855.db2.gz MCIPPSOXOAMGHQ-AWEZNQCLSA-N 0 0 297.354 3.657 50 30 CHEARN COc1cc(C(=O)/C=C/c2sccc2C)ccc1O ZINC000006790050 170243946 /nfs/dbraw/zinc/24/39/46/170243946.db2.gz GAURCIJUZKEOGK-AATRIKPKSA-N 0 0 274.341 3.667 50 30 CHEARN Cc1cccc(OCCCC(=O)Nc2cccc(C#N)c2)c1 ZINC000006867738 170251220 /nfs/dbraw/zinc/25/12/20/170251220.db2.gz GNVCHWPUPWWRJK-UHFFFAOYSA-N 0 0 294.354 3.664 50 30 CHEARN CC[C@H]1CSC(Nc2ccccc2C(F)(F)F)=N1 ZINC000006936912 170256767 /nfs/dbraw/zinc/25/67/67/170256767.db2.gz AYLUWFOOWIALAM-QMMMGPOBSA-N 0 0 274.311 3.808 50 30 CHEARN C=CCn1c(SCC)nnc1-c1cccc(C)c1 ZINC000007007668 170261827 /nfs/dbraw/zinc/26/18/27/170261827.db2.gz CHEFGKOGSLVCMB-UHFFFAOYSA-N 0 0 259.378 3.552 50 30 CHEARN N#CC1(C(=O)Nc2ccc(F)c(Cl)c2)CCCC1 ZINC000007334511 170277956 /nfs/dbraw/zinc/27/79/56/170277956.db2.gz JKXWLSZYALMOFM-UHFFFAOYSA-N 0 0 266.703 3.502 50 30 CHEARN N#Cc1cccc(C(=O)OCc2ccccc2Cl)c1 ZINC000007395762 170282556 /nfs/dbraw/zinc/28/25/56/170282556.db2.gz HCGCJCVJPYUVCK-UHFFFAOYSA-N 0 0 271.703 3.569 50 30 CHEARN Cc1cc2ncn(Cc3ccc(C#N)cc3)c2cc1C ZINC000007785514 170302432 /nfs/dbraw/zinc/30/24/32/170302432.db2.gz FVKATGCFSIVWDD-UHFFFAOYSA-N 0 0 261.328 3.573 50 30 CHEARN CCNC(=S)NN(c1ccccc1)c1ccccc1 ZINC000008680902 170345287 /nfs/dbraw/zinc/34/52/87/170345287.db2.gz MPMOOLOUIJVQBE-UHFFFAOYSA-N 0 0 271.389 3.635 50 30 CHEARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cccc(C#N)c1)C2 ZINC000008708202 170348135 /nfs/dbraw/zinc/34/81/35/170348135.db2.gz DZNHMIMAZXSXRV-MRXNPFEDSA-N 0 0 294.379 3.522 50 30 CHEARN O=C(/C=C/c1ccc2ccccc2n1)c1cccc(O)c1 ZINC000008792571 170355861 /nfs/dbraw/zinc/35/58/61/170355861.db2.gz RSRKAFCAKWZBPQ-ZHACJKMWSA-N 0 0 275.307 3.837 50 30 biogenic CHEARN CC(=O)c1ccc(C)cc1OCc1ccccc1C#N ZINC000009112286 170363876 /nfs/dbraw/zinc/36/38/76/170363876.db2.gz UFSSBFBFBNQEPO-UHFFFAOYSA-N 0 0 265.312 3.648 50 30 CHEARN Cc1csc(CNc2cccc(Cl)c2C#N)n1 ZINC000009155310 170364788 /nfs/dbraw/zinc/36/47/88/170364788.db2.gz LJRDQDMLNBOKCK-UHFFFAOYSA-N 0 0 263.753 3.589 50 30 CHEARN Cc1c(Cl)cccc1NC(=O)C1(C#N)CCCC1 ZINC000009336944 170372643 /nfs/dbraw/zinc/37/26/43/170372643.db2.gz YHDMMDRKZXXMLM-UHFFFAOYSA-N 0 0 262.740 3.671 50 30 CHEARN Cc1ccc([C@H](C#N)N2CCC(c3ccccc3)=N2)cc1 ZINC000009355837 170373825 /nfs/dbraw/zinc/37/38/25/170373825.db2.gz FEVDWDQGSXLTOD-SFHVURJKSA-N 0 0 275.355 3.670 50 30 CHEARN C=C(C)COc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000009813485 170385998 /nfs/dbraw/zinc/38/59/98/170385998.db2.gz OAFJROKRHXJWAM-UHFFFAOYSA-N 0 0 263.337 3.989 50 30 CHEARN N#Cc1cccc(CSc2nnc(-c3ccccc3)o2)c1 ZINC000010218891 170401303 /nfs/dbraw/zinc/40/13/03/170401303.db2.gz VHSQUPFBDLKOMP-UHFFFAOYSA-N 0 0 293.351 3.901 50 30 CHEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N ZINC000012371957 170480708 /nfs/dbraw/zinc/48/07/08/170480708.db2.gz GWWXKVVUGDVQGO-QPJQCUDZSA-N 0 0 284.403 3.563 50 30 biogenic CHEARN C=CCN=C(Nc1ccc(Cl)cc1)SCC ZINC000012569739 170498171 /nfs/dbraw/zinc/49/81/71/170498171.db2.gz KTMUJQAVUAGNJY-UHFFFAOYSA-N 0 0 254.786 3.856 50 30 CHEARN C=CCNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000013022991 170529264 /nfs/dbraw/zinc/52/92/64/170529264.db2.gz AHJVRDVVTODLEM-UHFFFAOYSA-N 0 0 261.708 3.516 50 30 CHEARN N#Cc1cc(NC(=O)c2cccc(F)c2)ccc1Cl ZINC000014245516 170627789 /nfs/dbraw/zinc/62/77/89/170627789.db2.gz ZDAHMRIFHQYXNQ-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN [N-]=[N+]=Nc1cc([N+](=O)[O-])cc2snc(Cl)c21 ZINC000015188360 170658473 /nfs/dbraw/zinc/65/84/73/170658473.db2.gz XRIHIAWOIDUVEM-UHFFFAOYSA-N 0 0 255.646 3.800 50 30 CHEARN C[C@@H]1CCC[C@H](C)N1/N=C/c1ccc(Cl)cc1 ZINC000018136554 170743883 /nfs/dbraw/zinc/74/38/83/170743883.db2.gz IYADXABJUNSORD-MTCUZCOSSA-N 0 0 250.773 3.937 50 30 CHEARN N#Cc1ccc(CNc2ccccc2Br)cc1 ZINC000019922702 170929497 /nfs/dbraw/zinc/92/94/97/170929497.db2.gz QRRJYVRBDWIQHP-UHFFFAOYSA-N 0 0 287.160 3.933 50 30 CHEARN C=CCn1ccc(-c2cccc(-c3nccnc3C)c2)n1 ZINC000020149583 171037646 /nfs/dbraw/zinc/03/76/46/171037646.db2.gz INMSYCGSWZHGIY-UHFFFAOYSA-N 0 0 276.343 3.502 50 30 CHEARN N#Cc1c(N)nc(-c2cccs2)cc1-c1ccco1 ZINC000020432202 171196848 /nfs/dbraw/zinc/19/68/48/171196848.db2.gz CPPSAVWBHKTFNF-UHFFFAOYSA-N 0 0 267.313 3.524 50 30 CHEARN Cc1noc2c1[C@H](C(C)C)C1=C(CC(C)(C)CC1=O)N2 ZINC000020734683 171271401 /nfs/dbraw/zinc/27/14/01/171271401.db2.gz QIDISZJKVDWIIT-LBPRGKRZSA-N 0 0 274.364 3.791 50 30 CHEARN N#Cc1ccsc1NC(=O)CCC1CCCCC1 ZINC000021345338 171302975 /nfs/dbraw/zinc/30/29/75/171302975.db2.gz ULCVPNMCEVXKQK-UHFFFAOYSA-N 0 0 262.378 3.919 50 30 CHEARN COC(=O)c1cccc(/N=C/c2cc(Cl)ccc2O)c1 ZINC000022728554 171396731 /nfs/dbraw/zinc/39/67/31/171396731.db2.gz KDVRGGZIWKFJLZ-RQZCQDPDSA-N 0 0 289.718 3.583 50 30 CHEARN N#CCCN1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000024863561 171442149 /nfs/dbraw/zinc/44/21/49/171442149.db2.gz AJHDMZOZKHVECG-CYBMUJFWSA-N 0 0 271.389 3.737 50 30 CHEARN C=CCSc1ccccc1NC(=O)c1ccoc1 ZINC000026863454 171501680 /nfs/dbraw/zinc/50/16/80/171501680.db2.gz MOHKLAGAGWHXOR-UHFFFAOYSA-N 0 0 259.330 3.810 50 30 CHEARN Cc1nc(Cl)c(C#N)c(C(F)(F)F)c1Br ZINC000029753731 171608832 /nfs/dbraw/zinc/60/88/32/171608832.db2.gz XLXFMVBEEQECPA-UHFFFAOYSA-N 0 0 299.477 3.696 50 30 CHEARN N#Cc1cccc(/C=C/C(=O)Nc2cccc(Cl)c2)c1 ZINC000031546870 171640156 /nfs/dbraw/zinc/64/01/56/171640156.db2.gz RVQJIEYBNVWMFB-BQYQJAHWSA-N 0 0 282.730 3.864 50 30 CHEARN O=C1/C(=C/c2c(Cl)cccc2Cl)N2CCC1CC2 ZINC000038891964 174159015 /nfs/dbraw/zinc/15/90/15/174159015.db2.gz MKZJRJJYFDQYPY-JYRVWZFOSA-N 0 0 282.170 3.629 50 30 CHEARN CCOc1ccc(/C=N/N(C)c2ccccc2)cc1 ZINC000059151423 175630698 /nfs/dbraw/zinc/63/06/98/175630698.db2.gz ROPJIZNCXWMLIT-GHRIWEEISA-N 0 0 254.333 3.556 50 30 CHEARN N#Cc1c(CSc2nccs2)cn2ccccc12 ZINC000064661464 175696607 /nfs/dbraw/zinc/69/66/07/175696607.db2.gz PDHWRYCVAJPTFM-UHFFFAOYSA-N 0 0 271.370 3.560 50 30 CHEARN C=C1N(N(C)C)c2ccccc2[C@@]1(C)c1ccccc1 ZINC000071771458 176262506 /nfs/dbraw/zinc/26/25/06/176262506.db2.gz NCQKSGYPURVUKW-GOSISDBHSA-N 0 0 264.372 3.803 50 30 CHEARN N#Cc1ccc(NC[C@H]2CCCO[C@@H]2c2ccccc2)nc1 ZINC000071828013 176272232 /nfs/dbraw/zinc/27/22/32/176272232.db2.gz XECSOFQCJQRPQW-SJLPKXTDSA-N 0 0 293.370 3.533 50 30 CHEARN C=CC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000072481974 176408192 /nfs/dbraw/zinc/40/81/92/176408192.db2.gz NDKBWYQICXGZDZ-CQSZACIVSA-N 0 0 261.365 3.699 50 30 CHEARN CCOc1ccc(C(C)=O)cc1COc1ccccc1C#N ZINC000002647707 261288126 /nfs/dbraw/zinc/28/81/26/261288126.db2.gz AAZDAEUNUMNNOS-UHFFFAOYSA-N 0 0 295.338 3.739 50 30 CHEARN CC(C)(C#N)CC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000330701460 264017562 /nfs/dbraw/zinc/01/75/62/264017562.db2.gz HRCISPJVAYLZPQ-DLBZAZTESA-N 0 0 298.430 3.844 50 30 CHEARN Cc1cnc([C@@H](C)NC(=O)c2ccc(C(C)C)nc2)o1 ZINC000330702922 264018035 /nfs/dbraw/zinc/01/80/35/264018035.db2.gz INUCGAYZUDERED-LLVKDONJSA-N 0 0 273.336 3.567 50 30 CHEARN COc1ccc(C(=O)C=C(C)NCc2ccc(F)cc2)cc1 ZINC000004820013 326812286 /nfs/dbraw/zinc/81/22/86/326812286.db2.gz FGXVLBFKXIAMSU-ACCUITESSA-N 0 0 299.345 3.711 50 30 CHEARN C[C@@H]1CCC2=C(C3(CC2)SCCS3)[C@]1(C)C=O ZINC000045071870 328754612 /nfs/dbraw/zinc/75/46/12/328754612.db2.gz GKTSPAHUOPQXLZ-ZWNOBZJWSA-N 0 0 268.447 3.888 50 30 CHEARN C=CCNC(=O)c1ccc(COc2ccccc2CC=C)o1 ZINC000028235890 329509288 /nfs/dbraw/zinc/50/92/88/329509288.db2.gz QAQPWLPPOOIIHZ-UHFFFAOYSA-N 0 0 297.354 3.503 50 30 CHEARN C[C@H]1CCc2sc(NC(=O)c3ccco3)c(C#N)c2C1 ZINC000004069991 533787436 /nfs/dbraw/zinc/78/74/36/533787436.db2.gz VFCSRXKXMNFPJN-VIFPVBQESA-N 0 0 286.356 3.590 50 30 CHEARN C=CCN(Cc1ccccc1Cl)C(=O)c1cccn1C ZINC000055041976 518786045 /nfs/dbraw/zinc/78/60/45/518786045.db2.gz IAJZYAQCEVRXFU-UHFFFAOYSA-N 0 0 288.778 3.507 50 30 CHEARN C=CCSc1nnc(Cc2c(C)[nH]c3ccccc32)o1 ZINC000003646718 519085626 /nfs/dbraw/zinc/08/56/26/519085626.db2.gz OOXSVVLDVANMSX-UHFFFAOYSA-N 0 0 285.372 3.728 50 30 CHEARN CC(C)Cc1cc(C(F)(F)F)c(C#N)c(SCC#N)n1 ZINC000067604011 519430767 /nfs/dbraw/zinc/43/07/67/519430767.db2.gz GSDXKUHOYSXLSH-UHFFFAOYSA-N 0 0 299.321 3.786 50 30 CHEARN CCCCCCCCCC[C@@H]1C[C@H]2C[C@@H](O)O[C@H]2O1 ZINC000008384598 520025726 /nfs/dbraw/zinc/02/57/26/520025726.db2.gz JBVBWQPXSQZSQR-XUWVNRHRSA-N 0 0 270.413 3.987 50 30 CHEARN CCCCCCCCCS(=O)(=O)Nc1ccc(C)cn1 ZINC000003156193 520029040 /nfs/dbraw/zinc/02/90/40/520029040.db2.gz MRTMTBZGMIRPEX-UHFFFAOYSA-N 0 0 298.452 3.882 50 30 CHEARN N#CCCOc1ncnc2scc(-c3ccccc3)c21 ZINC000008316400 534650921 /nfs/dbraw/zinc/65/09/21/534650921.db2.gz DCIYKKMPNYPBPT-UHFFFAOYSA-N 0 0 281.340 3.651 50 30 CHEARN Cc1cccc(CN=NC(=S)Nc2ccccc2)c1 ZINC000005237146 524155256 /nfs/dbraw/zinc/15/52/56/524155256.db2.gz AATSHOMZWYTHHP-WJDWOHSUSA-N 0 0 269.373 3.727 50 30 CHEARN C=CCn1c(C)nnc1SC/C=C\c1ccccc1 ZINC000097658382 527302487 /nfs/dbraw/zinc/30/24/87/527302487.db2.gz YJXFSBKLTXPTCG-YFHOEESVSA-N 0 0 271.389 3.578 50 30 CHEARN CCCC[C@@H](NC(=O)c1ccccc1C#N)c1cccnc1 ZINC000222810939 528846069 /nfs/dbraw/zinc/84/60/69/528846069.db2.gz BJMACCQOGNSQCN-QGZVFWFLSA-N 0 0 293.370 3.615 50 30 CHEARN CCSc1ncc(/C=N/c2ccc(F)cc2F)n1C ZINC000100250876 529260247 /nfs/dbraw/zinc/26/02/47/529260247.db2.gz VEDNPFXRRAVGKC-FRKPEAEDSA-N 0 0 281.331 3.561 50 30 CHEARN O=C1c2ccccc2O/C1=C\c1ccc(Cl)cc1 ZINC000001635386 560183223 /nfs/dbraw/zinc/18/32/23/560183223.db2.gz JIWJNEVCSMZRGO-ZROIWOOFSA-N 0 0 256.688 3.956 50 30 biogenic,in-vitro CHEARN C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3CC[C@]21C ZINC000253637073 566831283 /nfs/dbraw/zinc/83/12/83/566831283.db2.gz YOWOBPTVMDFSMZ-NMLBUPMWSA-N 0 0 296.410 3.557 50 30 CHEARN C[C@]12CC[C@@H]3[C@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2O ZINC000254013592 566832529 /nfs/dbraw/zinc/83/25/29/566832529.db2.gz UMDCOKNNLDEKJB-QMROVXIMSA-N 0 0 286.415 3.655 50 30 CHEARN Cc1ccc(CNc2oc(-c3ccco3)nc2C#N)cc1 ZINC000001049972 566838107 /nfs/dbraw/zinc/83/81/07/566838107.db2.gz ACBYJFCNROZCTO-UHFFFAOYSA-N 0 0 279.299 3.727 50 30 CHEARN Cc1ccc(-c2cc(C(C)(C)C)nc(N)c2C#N)cc1 ZINC000019782340 566857287 /nfs/dbraw/zinc/85/72/87/566857287.db2.gz VJBLJJAOYFZVGA-UHFFFAOYSA-N 0 0 265.360 3.808 50 30 CHEARN Oc1ccc(CN=Nc2ncc(Cl)cc2Cl)cc1 ZINC000004132077 566862443 /nfs/dbraw/zinc/86/24/43/566862443.db2.gz HGMCYWGOKQCRQD-OMCISZLKSA-N 0 0 282.130 3.540 50 30 CHEARN Oc1ccccc1CN=Nc1ncc(Cl)cc1Cl ZINC000004132076 566863718 /nfs/dbraw/zinc/86/37/18/566863718.db2.gz YXWUTHWTGKYFAX-OMCISZLKSA-N 0 0 282.130 3.540 50 30 CHEARN N#Cc1ncc(C(F)(F)F)cc1Sc1ccc(N)cc1 ZINC000001385465 566867548 /nfs/dbraw/zinc/86/75/48/566867548.db2.gz UWKUWUCYEQMWDX-UHFFFAOYSA-N 0 0 295.289 3.705 50 30 CHEARN N#Cc1c(Cl)nc(-c2ccncc2)nc1-c1ccccc1 ZINC000001393400 566868628 /nfs/dbraw/zinc/86/86/28/566868628.db2.gz QUCGOBYWIZQBMY-UHFFFAOYSA-N 0 0 292.729 3.731 50 30 CHEARN N#Cc1c(Cl)nc(-c2cccnc2)nc1-c1ccccc1 ZINC000001393384 566868900 /nfs/dbraw/zinc/86/89/00/566868900.db2.gz ZTNAZSSCVMOHIG-UHFFFAOYSA-N 0 0 292.729 3.731 50 30 CHEARN CC[C@@H](C)O/N=C1/c2ccccc2N(c2ccccc2)C1=O ZINC000001403320 566872061 /nfs/dbraw/zinc/87/20/61/566872061.db2.gz XWWMPDGGYDPMQO-JPWUFHEYSA-N 0 0 294.354 3.884 50 30 CHEARN COc1cc2c(C)c(C)n(C)c2cc1NC(C)=CC(C)=O ZINC000001432247 566879947 /nfs/dbraw/zinc/87/99/47/566879947.db2.gz GCNVIUIVYWNBRP-JXMROGBWSA-N 0 0 286.375 3.708 50 30 CHEARN C=CCOc1cccc(C(=O)NCCCc2ccccc2)c1 ZINC000004842469 566888844 /nfs/dbraw/zinc/88/88/44/566888844.db2.gz HEWYVLNMKIAQBB-UHFFFAOYSA-N 0 0 295.382 3.614 50 30 CHEARN C=CCN1C(=O)S/C(=C\c2ccc(CC)s2)C1=O ZINC000015010922 566896774 /nfs/dbraw/zinc/89/67/74/566896774.db2.gz DYVRRZQLZYGWNH-FLIBITNWSA-N 0 0 279.386 3.533 50 30 CHEARN C=CCSc1nc(C)c2cc(OCC)ccc2n1 ZINC000002288536 566903226 /nfs/dbraw/zinc/90/32/26/566903226.db2.gz BETGFSAEVBEVIB-UHFFFAOYSA-N 0 0 260.362 3.615 50 30 CHEARN C=CCN(CC=C)C(=O)Nc1cc(Cl)ccc1C ZINC000000395446 566899287 /nfs/dbraw/zinc/89/92/87/566899287.db2.gz WQTAOVKAJSHBDT-UHFFFAOYSA-N 0 0 264.756 3.854 50 30 CHEARN C=CCN(CC=C)C(=O)c1ccccc1SCC ZINC000000611131 566899600 /nfs/dbraw/zinc/89/96/00/566899600.db2.gz GAHBTDXWGPSJNP-UHFFFAOYSA-N 0 0 261.390 3.613 50 30 CHEARN C=C(C)Cn1c2ccccc2nc1[C@@H](O)c1ccccc1 ZINC000000612709 566899705 /nfs/dbraw/zinc/89/97/05/566899705.db2.gz UJILOIIQMUGWLZ-KRWDZBQOSA-N 0 0 278.355 3.694 50 30 CHEARN C=CCn1c(=S)[nH]nc1-c1ccc(OCCC)cc1 ZINC000002195351 566902357 /nfs/dbraw/zinc/90/23/57/566902357.db2.gz ZAHFDDMVBICUFH-UHFFFAOYSA-N 0 0 275.377 3.582 50 30 CHEARN C#Cc1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000023055325 566930958 /nfs/dbraw/zinc/93/09/58/566930958.db2.gz QMECYFJNAQGUPU-UHFFFAOYSA-N 0 0 255.704 3.574 50 30 CHEARN CCCOc1ccc(NC(=O)N(C)CCC#N)cc1Cl ZINC000075105218 566936275 /nfs/dbraw/zinc/93/62/75/566936275.db2.gz CXOFZRILMHWEBC-UHFFFAOYSA-N 0 0 295.770 3.506 50 30 CHEARN N#Cc1cn(C(=O)C2CCCCC2)c2ccccc12 ZINC000049839321 566941851 /nfs/dbraw/zinc/94/18/51/566941851.db2.gz OMHJAGVELPZSTR-UHFFFAOYSA-N 0 0 252.317 3.733 50 30 CHEARN CCN(Cc1noc(C(C)C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000053610290 566942922 /nfs/dbraw/zinc/94/29/22/566942922.db2.gz FZFPGHMQWMAVRI-ZDUSSCGKSA-N 0 0 298.390 3.648 50 30 CHEARN C=CCOc1ccc2c(C)c(CC(C)C)c(=O)oc2c1 ZINC000001802054 566974279 /nfs/dbraw/zinc/97/42/79/566974279.db2.gz ATHNMYWBXQUKRW-UHFFFAOYSA-N 0 0 272.344 3.865 50 30 biogenic CHEARN CCc1n[nH]c(C)c1-c1ccc(C(C)(C)C#N)cc1 ZINC000426497255 566988346 /nfs/dbraw/zinc/98/83/46/566988346.db2.gz NOZYBRWGUNQTJE-UHFFFAOYSA-N 0 0 253.349 3.749 50 30 CHEARN N#Cc1cnc2ccccc2c1Nc1ccc(F)cc1 ZINC000036913220 567008683 /nfs/dbraw/zinc/00/86/83/567008683.db2.gz FFARMAKDMLOSEE-UHFFFAOYSA-N 0 0 263.275 3.989 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2ccc3nccnc3c2)cc1 ZINC000065532308 567010182 /nfs/dbraw/zinc/01/01/82/567010182.db2.gz CZEUWHOPKPDONT-WEVVVXLNSA-N 0 0 274.323 3.834 50 30 CHEARN Cc1nc(C#N)c(NCc2cccc3ccccc32)o1 ZINC000526052317 567012658 /nfs/dbraw/zinc/01/26/58/567012658.db2.gz XYDHIKKXRKPXDV-UHFFFAOYSA-N 0 0 263.300 3.620 50 30 CHEARN CCOc1cc(Cl)ccc1NC(=O)N(C)[C@@H](C)CC#N ZINC000089990942 567033365 /nfs/dbraw/zinc/03/33/65/567033365.db2.gz RZGHHENPOZTABF-JTQLQIEISA-N 0 0 295.770 3.505 50 30 CHEARN CC(C)(C#N)c1ccc(NC(=O)N2CCC=C(F)C2)cc1 ZINC000096013186 567040742 /nfs/dbraw/zinc/04/07/42/567040742.db2.gz XSHSPURPILOCBL-UHFFFAOYSA-N 0 0 287.338 3.579 50 30 CHEARN C[C@@H]1CC(=NNC(=S)NC2CCCCC2)CC(C)(C)C1 ZINC000252511182 567060749 /nfs/dbraw/zinc/06/07/49/567060749.db2.gz DSFIEZOJECYLBO-GFCCVEGCSA-N 0 0 295.496 3.985 50 30 CHEARN CC(C)=C[C@@H]1[C@@H](C(=O)[C@H](C#N)c2cc(C)nc(C)n2)C1(C)C ZINC000252517125 567063376 /nfs/dbraw/zinc/06/33/76/567063376.db2.gz AJNYFYOZLVZJPF-FMKPAKJESA-N 0 0 297.402 3.508 50 30 CHEARN O=[N+]([O-])c1ccc(C=Nc2ccc(Br)cc2)o1 ZINC000252599252 567065595 /nfs/dbraw/zinc/06/55/95/567065595.db2.gz DHLJUPXEESUWIU-UHFFFAOYSA-N 0 0 295.092 3.701 50 30 CHEARN CCOc1ccccc1N=Cc1ccc(OC)c(OC)c1 ZINC000252624340 567067796 /nfs/dbraw/zinc/06/77/96/567067796.db2.gz PLXHZZLCELDBSS-UHFFFAOYSA-N 0 0 285.343 3.853 50 30 CHEARN c1[nH]c2ccccc2c1CN=Nc1nncc2ccccc21 ZINC000252640022 567072023 /nfs/dbraw/zinc/07/20/23/567072023.db2.gz YPOHDWOWUOHGKP-UHFFFAOYSA-N 0 0 287.326 3.557 50 30 CHEARN CCc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000009142112 567110259 /nfs/dbraw/zinc/11/02/59/567110259.db2.gz MMUNLSOGFIVXFY-UHFFFAOYSA-N 0 0 296.395 3.923 50 30 CHEARN Cc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1 ZINC000019143768 567118146 /nfs/dbraw/zinc/11/81/46/567118146.db2.gz KIPKXEGRUKWTAI-UHFFFAOYSA-N 0 0 277.371 3.780 50 30 aggregator CHEARN CCCCCCCCCCCCCOC[C@@H]([NH3+])C(=O)[O-] ZINC000070665010 567119861 /nfs/dbraw/zinc/11/98/61/567119861.db2.gz IHLUAFQQQDFWPJ-OAHLLOKOSA-N 0 0 287.444 3.726 50 30 biogenic CHEARN CCc1nc(N2CCC(C)CC2)c(C#N)c2c1CCCC2 ZINC000019708426 567122623 /nfs/dbraw/zinc/12/26/23/567122623.db2.gz UNZRBEXRJMYZIK-UHFFFAOYSA-N 0 0 283.419 3.631 50 30 CHEARN N#Cc1c(N)nc(C2CC2)cc1-c1ccccc1Cl ZINC000019707430 567123366 /nfs/dbraw/zinc/12/33/66/567123366.db2.gz RXENFGDYKSVIPJ-UHFFFAOYSA-N 0 0 269.735 3.733 50 30 CHEARN C=CCN(Cc1ccc(OC)cc1)C(=O)CC1CCCC1 ZINC000079183524 567123560 /nfs/dbraw/zinc/12/35/60/567123560.db2.gz YLQFFZDCGKXHAK-UHFFFAOYSA-N 0 0 287.403 3.790 50 30 CHEARN N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N1CCCCC1 ZINC000096346426 567140264 /nfs/dbraw/zinc/14/02/64/567140264.db2.gz HKPXMLRTCAABJT-GJZGRUSLSA-N 0 0 293.370 3.808 50 30 CHEARN Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(C)c2C)o1 ZINC000096346203 567141106 /nfs/dbraw/zinc/14/11/06/567141106.db2.gz LCAFOOIWPFLPSI-CQSZACIVSA-N 0 0 282.343 3.526 50 30 CHEARN O=C(/C=C\c1csnn1)c1c[nH]c2cc(Cl)ccc12 ZINC000096310756 567141861 /nfs/dbraw/zinc/14/18/61/567141861.db2.gz VJRVYKOFSNAQLD-RQOWECAXSA-N 0 0 289.747 3.569 50 30 CHEARN N#CCc1ccc(NCc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000097115669 567143387 /nfs/dbraw/zinc/14/33/87/567143387.db2.gz GDZNSHXGJAZODA-UHFFFAOYSA-N 0 0 288.354 3.755 50 30 CHEARN N#Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000002551984 567148543 /nfs/dbraw/zinc/14/85/43/567148543.db2.gz MJFLREUJYFSNTO-UHFFFAOYSA-N 0 0 271.707 3.856 50 30 CHEARN N#Cc1ccc(C(=O)c2ccccc2Br)cc1 ZINC000002567530 567149088 /nfs/dbraw/zinc/14/90/88/567149088.db2.gz QDUFXCOYFONVNX-UHFFFAOYSA-N 0 0 286.128 3.552 50 30 CHEARN Cc1sc2ncnc(OCc3ccc(C#N)cc3)c2c1C ZINC000002644614 567150775 /nfs/dbraw/zinc/15/07/75/567150775.db2.gz YCCPMJJSFFIANT-UHFFFAOYSA-N 0 0 295.367 3.759 50 30 CHEARN CCCOc1ccc(-c2nc(C#N)c(N3CCCC3)o2)cc1 ZINC000002865645 567153132 /nfs/dbraw/zinc/15/31/32/567153132.db2.gz PNNIRCZGQUGNRN-UHFFFAOYSA-N 0 0 297.358 3.602 50 30 CHEARN CCCCOc1cc(Br)c(C#N)cc1OC ZINC000002764728 567153428 /nfs/dbraw/zinc/15/34/28/567153428.db2.gz QKWOUZUZHVYDNL-UHFFFAOYSA-N 0 0 284.153 3.508 50 30 CHEARN N#Cc1ccccc1NC(=O)CCSc1ccccc1 ZINC000002876850 567153596 /nfs/dbraw/zinc/15/35/96/567153596.db2.gz VXPQRVLIKVOMBT-UHFFFAOYSA-N 0 0 282.368 3.679 50 30 CHEARN CCOc1ccccc1/C=C1\Cc2ccccc2C1=O ZINC000003581747 567178783 /nfs/dbraw/zinc/17/87/83/567178783.db2.gz YFWPUXGGJLUEKD-NTCAYCPXSA-N 0 0 264.324 3.908 50 30 CHEARN CC(=O)c1ccc(NC(C)=C2C(=O)C[C@@H]3[C@H]2C3(C)C)cc1 ZINC000003999526 567181550 /nfs/dbraw/zinc/18/15/50/567181550.db2.gz KQBYMUBFXNPBHE-BCZNVCAVSA-N 0 0 283.371 3.820 50 30 biogenic CHEARN C=C(C)[C@@H]1CC[C@H](C)O[C@H]1c1ccc2c(c1)OCO2 ZINC000004005938 567182933 /nfs/dbraw/zinc/18/29/33/567182933.db2.gz WDZGUUIUJGFBQD-RBOXIYTFSA-N 0 0 260.333 3.848 50 30 biogenic CHEARN CC(=O)c1ccc(NCc2ccccc2CC#N)cc1 ZINC000004160047 567189708 /nfs/dbraw/zinc/18/97/08/567189708.db2.gz MLLQWVLDXRBWKO-UHFFFAOYSA-N 0 0 264.328 3.567 50 30 CHEARN N#CCc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000000026956 567816418 /nfs/dbraw/zinc/81/64/18/567816418.db2.gz ADPRFNVFBYHCJQ-UHFFFAOYSA-N 0 0 262.312 3.813 50 30 CHEARN Cc1ccsc1/C=N/NC(=S)Nc1cccc(C)c1 ZINC000000256941 567823251 /nfs/dbraw/zinc/82/32/51/567823251.db2.gz RXWBIPWLSLXZNC-OQLLNIDSSA-N 0 0 289.429 3.685 50 30 CHEARN O=C1c2ccccc2C(=O)C1=Cc1cccc(Cl)c1 ZINC000000280926 567823860 /nfs/dbraw/zinc/82/38/60/567823860.db2.gz JDGBJCJISQQPTI-UHFFFAOYSA-N 0 0 268.699 3.803 50 30 CHEARN COc1ccc(CNC(=S)Nc2cccc(F)c2)cc1 ZINC000000315233 567825262 /nfs/dbraw/zinc/82/52/62/567825262.db2.gz YZCIISCYLZPSHF-UHFFFAOYSA-N 0 0 290.363 3.732 50 30 CHEARN Cc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1 ZINC000000315506 567825291 /nfs/dbraw/zinc/82/52/91/567825291.db2.gz NVQONXZSWWCABJ-LICLKQGHSA-N 0 0 272.279 3.717 50 30 CHEARN CCOc1ccc(NC=CC(=O)c2ccccc2)cc1 ZINC000000433598 567829872 /nfs/dbraw/zinc/82/98/72/567829872.db2.gz RWQZECLPWSYUBJ-OUKQBFOZSA-N 0 0 267.328 3.894 50 30 CHEARN N#C[C@H](Cc1cccs1)C(=O)Nc1ccccc1Cl ZINC000000419703 567829902 /nfs/dbraw/zinc/82/99/02/567829902.db2.gz PUNFCBWYVDXFAD-JTQLQIEISA-N 0 0 290.775 3.722 50 30 CHEARN CSC1=N/C(=C\c2ccc(SC)cc2)C(=O)S1 ZINC000000469550 567832076 /nfs/dbraw/zinc/83/20/76/567832076.db2.gz PUZKHRXWZRZLGS-YFHOEESVSA-N 0 0 281.427 3.742 50 30 CHEARN CCOc1ccc(/C=N/c2oc(C)c(C)c2C#N)cc1 ZINC000001098516 567836087 /nfs/dbraw/zinc/83/60/87/567836087.db2.gz FQRJAPVRMJXMCR-VCHYOVAHSA-N 0 0 268.316 3.917 50 30 CHEARN C=C(Br)C(F)(C(F)(F)F)C(F)(F)F ZINC000002530673 567847669 /nfs/dbraw/zinc/84/76/69/567847669.db2.gz ZWRZDAJOBBXUHV-UHFFFAOYSA-N 0 0 274.961 3.728 50 30 CHEARN Cc1ccc([N+](=O)[O-])cc1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000002744288 567848979 /nfs/dbraw/zinc/84/89/79/567848979.db2.gz RFZWMBMZQGFFKO-OQLLNIDSSA-N 0 0 285.259 3.562 50 30 CHEARN Cc1cc(O)ccc1NC=CC(=O)c1cccs1 ZINC000002856726 567849933 /nfs/dbraw/zinc/84/99/33/567849933.db2.gz YYNIDHWYLIZULH-VOTSOKGWSA-N 0 0 259.330 3.571 50 30 CHEARN C=CCSC1=N/C(=C\c2ccc(C)s2)C(=O)S1 ZINC000003001794 567851294 /nfs/dbraw/zinc/85/12/94/567851294.db2.gz WHLHPKDERFKKQW-YFHOEESVSA-N 0 0 281.427 3.946 50 30 CHEARN N#CCSC1=CC(=O)C[C@@H](c2ccccc2)S1 ZINC000003119135 567851665 /nfs/dbraw/zinc/85/16/65/567851665.db2.gz HFXPZYLEEUQZSV-LBPRGKRZSA-N 0 0 261.371 3.532 50 30 CHEARN Clc1ccc(CN=Nc2nccs2)c(Cl)c1 ZINC000004038828 567854819 /nfs/dbraw/zinc/85/48/19/567854819.db2.gz WSZSPUIQZIEWPV-MKMNVTDBSA-N 0 0 272.160 3.896 50 30 CHEARN O=[N+]([O-])c1ccccc1N=NCc1cccc(Cl)c1 ZINC000004178140 567856008 /nfs/dbraw/zinc/85/60/08/567856008.db2.gz DTZKZEVRJYDUML-OQLLNIDSSA-N 0 0 275.695 3.694 50 30 CHEARN COCCCN=C(Nc1cc(C)c(C)cc1C)SC ZINC000004347924 567857083 /nfs/dbraw/zinc/85/70/83/567857083.db2.gz VCNHCBGLFPTETF-UHFFFAOYSA-N 0 0 280.437 3.779 50 30 CHEARN c1[nH]c2ccccc2c1CN=Nc1nncc2ccccc21 ZINC000004379940 567857226 /nfs/dbraw/zinc/85/72/26/567857226.db2.gz YPOHDWOWUOHGKP-RGVLZGJSSA-N 0 0 287.326 3.557 50 30 CHEARN CC(C)(C)c1ccc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)cc1 ZINC000004502162 567857700 /nfs/dbraw/zinc/85/77/00/567857700.db2.gz DQIFQVVECCGUSN-AWEZNQCLSA-N 0 0 297.398 3.595 50 30 CHEARN CC(=O)c1ccc(NC2=NC(C)(C)Cc3ccccc32)cc1 ZINC000005481265 567859455 /nfs/dbraw/zinc/85/94/55/567859455.db2.gz STFMQRSATBZCOL-UHFFFAOYSA-N 0 0 292.382 3.892 50 30 CHEARN O=C1/C(=C\c2cc3ccccc3nc2Cl)N2CCC1CC2 ZINC000032541284 567860898 /nfs/dbraw/zinc/86/08/98/567860898.db2.gz ITRZHANRVKOHDW-XNTDXEJSSA-N 0 0 298.773 3.524 50 30 CHEARN Cc1ccc([C@H](C)NC(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000032610945 567864104 /nfs/dbraw/zinc/86/41/04/567864104.db2.gz LWBKPBIEGIGTEX-AWEZNQCLSA-N 0 0 278.355 3.666 50 30 CHEARN C/C(=N\OC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000013118658 567864791 /nfs/dbraw/zinc/86/47/91/567864791.db2.gz USZMRMOXPZKKKA-YVPLBCMISA-N 0 0 279.339 3.758 50 30 CHEARN CCCCc1noc2c1/C(=N\O)C[C@H](c1ccccc1)C2 ZINC000013116588 567864991 /nfs/dbraw/zinc/86/49/91/567864991.db2.gz DDYXNPSRXOROOT-VLFBTDHHSA-N 0 0 284.359 3.926 50 30 CHEARN N#Cc1ccc(-c2cn3cc(C(F)(F)F)ccc3n2)cc1 ZINC000013219809 567865622 /nfs/dbraw/zinc/86/56/22/567865622.db2.gz CSUCNTLGYALDRM-UHFFFAOYSA-N 0 0 287.244 3.892 50 30 CHEARN Fc1ccc(CNC(=S)NCc2ccc(F)cc2)cc1 ZINC000013659134 567866710 /nfs/dbraw/zinc/86/67/10/567866710.db2.gz SWGWXOVOACUCHI-UHFFFAOYSA-N 0 0 292.354 3.540 50 30 CHEARN Cc1ccc(NC2=CC(=O)C[C@H](c3ccco3)C2)c(N)c1 ZINC000013771976 567867873 /nfs/dbraw/zinc/86/78/73/567867873.db2.gz WAJXUMQZCVYADW-GFCCVEGCSA-N 0 0 282.343 3.613 50 30 CHEARN CSc1cccc(C(=O)Nc2sccc2C#N)c1 ZINC000004517536 567868878 /nfs/dbraw/zinc/86/88/78/567868878.db2.gz HDVIUMCPUGHNSN-UHFFFAOYSA-N 0 0 274.370 3.594 50 30 CHEARN C=CCc1c(C)[nH]c2cc(-c3ccc(Cl)cc3)nn2c1=O ZINC000100574160 567871060 /nfs/dbraw/zinc/87/10/60/567871060.db2.gz XOABZMAMALWZFB-UHFFFAOYSA-N 0 0 299.761 3.792 50 30 CHEARN CC(=O)/C(=N\Nc1ccccc1)SC#Cc1ccccc1 ZINC000016102138 567872273 /nfs/dbraw/zinc/87/22/73/567872273.db2.gz QQQYJDDTUFUBMD-HTXNQAPBSA-N 0 0 294.379 3.743 50 30 CHEARN Cc1ccc([C@@H]2CC(=O)C=C(NCC(C)C)C2)cc1 ZINC000017369983 567875780 /nfs/dbraw/zinc/87/57/80/567875780.db2.gz SPVNJNOQQGJPTQ-HNNXBMFYSA-N 0 0 257.377 3.571 50 30 CHEARN O=C1Nc2ccccc2/C1=N\c1cccc2ccccc21 ZINC000018284839 567876810 /nfs/dbraw/zinc/87/68/10/567876810.db2.gz BHPDEUIEJALCLP-UHFFFAOYSA-N 0 0 272.307 3.913 50 30 CHEARN CNc1ccccc(C(=O)/C=C/c2ccccc2Cl)c1=O ZINC000019909644 567879712 /nfs/dbraw/zinc/87/97/12/567879712.db2.gz PQSJMLZJMPFDFZ-ZHACJKMWSA-N 0 0 299.757 3.638 50 30 CHEARN C[C@H](C#N)Sc1nc(C2CC2)nc2ccccc21 ZINC000010942401 567882280 /nfs/dbraw/zinc/88/22/80/567882280.db2.gz PMQYHMRFGSFYAW-SECBINFHSA-N 0 0 255.346 3.511 50 30 CHEARN Cc1cc(/C=N\NC(N)=S)c2c(C)ccc(C(C)C)cc1-2 ZINC000033365164 567886623 /nfs/dbraw/zinc/88/66/23/567886623.db2.gz SKIKHOUWJGRMDD-OCKHKDLRSA-N 0 0 299.443 3.699 50 30 CHEARN Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cccc(O)c1 ZINC000096402475 567896773 /nfs/dbraw/zinc/89/67/73/567896773.db2.gz QWBHATRCYGGJLV-HJWRWDBZSA-N 0 0 284.359 3.683 50 30 CHEARN CCCCCCCCCCCCOC(=O)[C@H](C)O ZINC000072399976 567902386 /nfs/dbraw/zinc/90/23/86/567902386.db2.gz QQQMUBLXDAFBRH-AWEZNQCLSA-N 0 0 258.402 3.831 50 30 in-vitro CHEARN Cc1ccc(C)c(C(=O)Nc2ccc(CC#N)cc2)c1 ZINC000008125708 567906371 /nfs/dbraw/zinc/90/63/71/567906371.db2.gz KYBFTIKRRUTDOX-UHFFFAOYSA-N 0 0 264.328 3.622 50 30 CHEARN C[C@@H]1CCc2c(C#N)c(/N=C/c3cccnc3)sc2C1 ZINC000000066926 567906501 /nfs/dbraw/zinc/90/65/01/567906501.db2.gz VFGHWVNOEYXQQG-VURRPDKYSA-N 0 0 281.384 3.890 50 30 CHEARN C=CCNC(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000072289583 567908725 /nfs/dbraw/zinc/90/87/25/567908725.db2.gz DYCDVTPOFGXAKJ-UHFFFAOYSA-N 0 0 272.392 3.717 50 30 CHEARN CC(C)(C)c1cc(C(F)(F)F)[nH]c(=S)c1C#N ZINC000002558538 567910410 /nfs/dbraw/zinc/91/04/10/567910410.db2.gz ZOCDCGFHGCSGKY-UHFFFAOYSA-N 0 0 260.284 3.558 50 30 CHEARN Cc1ccc(N=Cc2cc3ccccc3[nH]c2=O)cc1 ZINC000100044059 567910650 /nfs/dbraw/zinc/91/06/50/567910650.db2.gz HQRZEXRVDKCHKJ-WOJGMQOQSA-N 0 0 262.312 3.999 50 30 CHEARN CC(=CC(=O)c1ccccc1)NCc1ccccc1 ZINC000100245764 567912519 /nfs/dbraw/zinc/91/25/19/567912519.db2.gz RFFBEACWBQOMDN-WYMLVPIESA-N 0 0 251.329 3.563 50 30 CHEARN C[C@@H]1CCCN(CC(=O)Nc2nc3ccccc3s2)C1 ZINC000050097569 567924993 /nfs/dbraw/zinc/92/49/93/567924993.db2.gz XMOAPXCJWGXCKX-LLVKDONJSA-N 0 0 289.404 3.616 50 30 CHEARN CCOc1ccc(/C=C2\Cc3ccccc3C2=O)cc1OC ZINC000000247128 567925500 /nfs/dbraw/zinc/92/55/00/567925500.db2.gz PULNMVNRPIGGPQ-XNTDXEJSSA-N 0 0 294.350 3.916 50 30 CHEARN C=C(Br)CCCCCCC(=O)OCC ZINC000002567424 567926389 /nfs/dbraw/zinc/92/63/89/567926389.db2.gz GJTDGTQYGDMQLA-UHFFFAOYSA-N 0 0 263.175 3.799 50 30 CHEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)c1ccco1 ZINC000100378172 567927267 /nfs/dbraw/zinc/92/72/67/567927267.db2.gz HNPHFBPBGCPNJL-LFIBNONCSA-N 0 0 267.328 3.774 50 30 CHEARN O=C1c2ccccc2SC1=CNc1cccc([N+](=O)[O-])c1 ZINC000100482234 567927561 /nfs/dbraw/zinc/92/75/61/567927561.db2.gz QWIZEEYKCSJENF-NTEUORMPSA-N 0 0 298.323 3.837 50 30 CHEARN COCc1cc(/C=C/C(=O)c2ccccc2)ccc1OC ZINC000166639152 567928150 /nfs/dbraw/zinc/92/81/50/567928150.db2.gz LKTZXIMYWOBTDL-CSKARUKUSA-N 0 0 282.339 3.738 50 30 CHEARN Cc1ccccc1-c1cc(-c2cccnc2)c(C#N)c(N)n1 ZINC000033790458 567928171 /nfs/dbraw/zinc/92/81/71/567928171.db2.gz IHOQPKQOCCCPCO-UHFFFAOYSA-N 0 0 286.338 3.573 50 30 CHEARN COc1ccc([C@@H](C#N)Nc2ccccc2C)cc1 ZINC000000477905 567936289 /nfs/dbraw/zinc/93/62/89/567936289.db2.gz VVKMAVNKLAFJPG-MRXNPFEDSA-N 0 0 252.317 3.680 50 30 CHEARN CCCCCCCCC(=O)NCc1ccc(O)cc1 ZINC000101363794 567937254 /nfs/dbraw/zinc/93/72/54/567937254.db2.gz DJDYVIGFUBHXNT-UHFFFAOYSA-N 0 0 263.381 3.759 50 30 CHEARN N#Cc1cccc(CSc2n[nH]c(-c3ccccc3)n2)c1 ZINC000017819781 567937481 /nfs/dbraw/zinc/93/74/81/567937481.db2.gz GXCBADPQEGBBEU-UHFFFAOYSA-N 0 0 292.367 3.636 50 30 CHEARN Cc1[nH]nc2c1[C@H](C)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018197828 567940556 /nfs/dbraw/zinc/94/05/56/567940556.db2.gz NQFWDQMXEDUHLS-WPRPVWTQSA-N 0 0 299.399 3.709 50 30 CHEARN Cc1cc(C)cc(NC(=O)C(O)=CC(=O)c2ccccc2)c1 ZINC000101355141 567940997 /nfs/dbraw/zinc/94/09/97/567940997.db2.gz UWODOZLZVOYHKA-BOPFTXTBSA-N 0 0 295.338 3.567 50 30 CHEARN Cc1ccc(NC(=O)C(O)=CC(=O)c2ccccc2)c(C)c1 ZINC000101355154 567941001 /nfs/dbraw/zinc/94/10/01/567941001.db2.gz KSJLVOAUOKHNMK-BOPFTXTBSA-N 0 0 295.338 3.567 50 30 CHEARN O=C(/C=C1\C(=O)Nc2c1cccc2Cl)c1cccs1 ZINC000102471887 567941622 /nfs/dbraw/zinc/94/16/22/567941622.db2.gz XJWUQIIPDHOFHE-CLFYSBASSA-N 0 0 289.743 3.620 50 30 CHEARN C=CCn1c2ccccc2n2cc(-c3ccc(O)cc3)nc21 ZINC000000549905 567943108 /nfs/dbraw/zinc/94/31/08/567943108.db2.gz JFZJNUYSCUGEEP-UHFFFAOYSA-N 0 0 289.338 3.848 50 30 CHEARN COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1O ZINC000051330014 567944867 /nfs/dbraw/zinc/94/48/67/567944867.db2.gz AXTCUURQAVBPRN-MDZDMXLPSA-N 0 0 288.730 3.950 50 30 CHEARN Cc1cc(C)cc(NC=CC(=O)c2ccc3c(c2)OCO3)c1 ZINC000044842349 567946141 /nfs/dbraw/zinc/94/61/41/567946141.db2.gz OYMAKUKVLHLBOE-AATRIKPKSA-N 0 0 295.338 3.841 50 30 CHEARN O=C(/C=C\c1ccccc1)O/N=C/c1ccc(Cl)cc1 ZINC000012368351 567948587 /nfs/dbraw/zinc/94/85/87/567948587.db2.gz LHYGNEPQWCAIKH-BGWJIYLUSA-N 0 0 285.730 3.931 50 30 CHEARN C=CCn1c2ccccc2nc1/N=C/c1ccccc1O ZINC000004599561 570235419 /nfs/dbraw/zinc/23/54/19/570235419.db2.gz JKNBNAJLHXHRBE-LDADJPATSA-N 0 0 277.327 3.679 50 30 CHEARN Cc1cccc(C)c1NC(=O)c1ccc(C#N)cc1F ZINC000004869804 570266715 /nfs/dbraw/zinc/26/67/15/570266715.db2.gz YWMXHQGTRDQVQI-UHFFFAOYSA-N 0 0 268.291 3.567 50 30 CHEARN N#CCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000138037 570272753 /nfs/dbraw/zinc/27/27/53/570272753.db2.gz IVBUPIBQZGSJJM-UHFFFAOYSA-N 0 0 296.170 3.576 50 30 CHEARN Oc1ccc(Cl)cc1/C=N\CCc1ccccc1 ZINC000018042715 570282751 /nfs/dbraw/zinc/28/27/51/570282751.db2.gz BVBFOUQMCJEBKN-BOPFTXTBSA-N 0 0 259.736 3.707 50 30 CHEARN COc1ccccc1[C@@]1(CC#N)CCO[C@H](C(C)C)C1 ZINC000000520603 570285788 /nfs/dbraw/zinc/28/57/88/570285788.db2.gz PPMCNHHTASMGPG-IRXDYDNUSA-N 0 0 273.376 3.682 50 30 CHEARN C[C@@H]1CCc2ccccc2N1Cc1ccc(C#N)cc1 ZINC000015303964 570329534 /nfs/dbraw/zinc/32/95/34/570329534.db2.gz CPAVSIMDGBOXFC-CQSZACIVSA-N 0 0 262.356 3.900 50 30 CHEARN C=CCc1cc(C(=O)Nc2ccc(OC)cc2)ccc1OC ZINC000014397602 570340651 /nfs/dbraw/zinc/34/06/51/570340651.db2.gz CUSPKPZPXMFSCR-UHFFFAOYSA-N 0 0 297.354 3.685 50 30 CHEARN CC(=O)C=C(C)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000090450626 570352530 /nfs/dbraw/zinc/35/25/30/570352530.db2.gz SYEUOMQFIJBEOY-ACCUITESSA-N 0 0 279.339 3.822 50 30 CHEARN CC(C)NC(=S)NN=C1CCCC[C@H]1C1CCCCC1 ZINC000013136773 570360510 /nfs/dbraw/zinc/36/05/10/570360510.db2.gz PVBZSEMJXZETBJ-AWEZNQCLSA-N 0 0 295.496 3.985 50 30 CHEARN O=C1SC(c2ccccc2)=CC1=NNc1ccccc1 ZINC000252632655 570376414 /nfs/dbraw/zinc/37/64/14/570376414.db2.gz VWAOIAJDHBLMSZ-UHFFFAOYSA-N 0 0 280.352 3.769 50 30 CHEARN CC(C)(C)c1c(C#N)sc2sc(C#N)c(N)c21 ZINC000000125576 570386825 /nfs/dbraw/zinc/38/68/25/570386825.db2.gz COJNPDDPNQGJEZ-UHFFFAOYSA-N 0 0 261.375 3.586 50 30 CHEARN CCc1ccc(Nc2nc(C)cc(C)c2C#N)cc1 ZINC000000337342 570387916 /nfs/dbraw/zinc/38/79/16/570387916.db2.gz DYRZGLXBCVTIEG-UHFFFAOYSA-N 0 0 251.333 3.876 50 30 CHEARN Cc1ccc(NC(=O)Nc2ccc(C#N)cc2)c(C)c1 ZINC000000398543 570388195 /nfs/dbraw/zinc/38/81/95/570388195.db2.gz VCNGEGYSTYXODK-UHFFFAOYSA-N 0 0 265.316 3.819 50 30 CHEARN Cc1ccc(NC(=O)c2ccc(Cl)cc2)c(C#N)c1 ZINC000000390451 570388211 /nfs/dbraw/zinc/38/82/11/570388211.db2.gz ZLWDHJGZNIQIJS-UHFFFAOYSA-N 0 0 270.719 3.772 50 30 CHEARN Cc1sc(NC(=O)c2ccccc2F)c(C#N)c1C ZINC000000478307 570388518 /nfs/dbraw/zinc/38/85/18/570388518.db2.gz DWUIXSMBICHHNC-UHFFFAOYSA-N 0 0 274.320 3.628 50 30 CHEARN CCN(C(=O)c1ccccc1C#N)C1CCCCCC1 ZINC000067541300 570393800 /nfs/dbraw/zinc/39/38/00/570393800.db2.gz QERXNQOGNLLBDJ-UHFFFAOYSA-N 0 0 270.376 3.743 50 30 CHEARN C=C(C)COC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000012811237 570395832 /nfs/dbraw/zinc/39/58/32/570395832.db2.gz RKINRDWLSWZSDN-UHFFFAOYSA-N 0 0 295.338 3.672 50 30 CHEARN C[C@@H](c1ccco1)N(C(=O)c1cccc(C#N)c1)C1CC1 ZINC000056181841 570397298 /nfs/dbraw/zinc/39/72/98/570397298.db2.gz FOFWSYHFDRFXGV-LBPRGKRZSA-N 0 0 280.327 3.517 50 30 CHEARN CC(C)(C)OC(=O)N[C@@](C)(CS)Cc1ccc(F)cc1 ZINC000685950688 570406106 /nfs/dbraw/zinc/40/61/06/570406106.db2.gz VRESCPDIRZALFS-OAHLLOKOSA-N 0 0 299.411 3.581 50 30 CHEARN CC(=NN1CCOCC1)c1cc2c(ccc3ccccc23)o1 ZINC000263627875 1125482920 /nfs/dbraw/zinc/48/29/20/1125482920.db2.gz WYUPDNAEJYWHDK-UHFFFAOYSA-N 0 0 294.354 3.642 50 30 CHEARN COC(=O)c1ccc(/C=C2\Sc3ccccc3C2=O)cc1 ZINC000013945076 1125514523 /nfs/dbraw/zinc/51/45/23/1125514523.db2.gz TZNOZLHUNLPGJK-GDNBJRDFSA-N 0 0 296.347 3.803 50 30 CHEARN C=CCCCOc1ccc(/C=C/C(=O)OCC)cc1 ZINC000003223707 1125680426 /nfs/dbraw/zinc/68/04/26/1125680426.db2.gz WLUIZLMABSMWES-FMIVXFBMSA-N 0 0 260.333 3.608 50 30 CHEARN Cc1cc(C)c(C#N)c(-c2cnc3ccccc3c2)n1 ZINC000065433171 1125677680 /nfs/dbraw/zinc/67/76/80/1125677680.db2.gz BQJLSUBKBCMAKF-UHFFFAOYSA-N 0 0 259.312 3.785 50 30 CHEARN Cc1nc([C@H](C)N(C)Cc2cccc(C#N)c2)c(C)s1 ZINC000065493480 1125678215 /nfs/dbraw/zinc/67/82/15/1125678215.db2.gz AMMZGIJQQUNSMW-NSHDSACASA-N 0 0 285.416 3.825 50 30 CHEARN CCN(CCC#N)Cc1ccc(Cl)cc1Cl ZINC000042454522 1127050522 /nfs/dbraw/zinc/05/05/22/1127050522.db2.gz BCRVWHLSASQVRZ-UHFFFAOYSA-N 0 0 257.164 3.729 50 30 CHEARN COc1ccc(N=Cc2ccc(SC)cc2)cc1N ZINC000254799254 1127159136 /nfs/dbraw/zinc/15/91/36/1127159136.db2.gz DMCUHUGEPKYKES-UHFFFAOYSA-N 0 0 272.373 3.750 50 30 CHEARN Cc1ccsc1/C=C1\Cc2c(cccc2O)C1=O ZINC000011335949 1127779398 /nfs/dbraw/zinc/77/93/98/1127779398.db2.gz TYCZBRXGDSHMER-CSKARUKUSA-N 0 0 256.326 3.585 50 30 CHEARN Cc1ccc(C)c(/C=C/C(=O)c2ccc(N)cc2)c1 ZINC000066089494 1128762461 /nfs/dbraw/zinc/76/24/61/1128762461.db2.gz ITVOVJMPDXRNHH-JXMROGBWSA-N 0 0 251.329 3.782 50 30 CHEARN CCCn1ncc(NCc2ccc(C#N)cc2)c1C1CC1 ZINC000449413855 1118325090 /nfs/dbraw/zinc/32/50/90/1118325090.db2.gz IRSLIRLGLQQXFY-UHFFFAOYSA-N 0 0 280.375 3.654 50 30 CHEARN CC(=O)C(N=Nc1ccccc1)=NNc1ccccc1 ZINC000101400429 1118636320 /nfs/dbraw/zinc/63/63/20/1118636320.db2.gz BQKCJZTWOQOUSP-KRFFEMNTSA-N 0 0 266.304 3.785 50 30 CHEARN Cn1c2ccccc2c(C#N)c1CNc1ccccc1 ZINC000000380748 1119157136 /nfs/dbraw/zinc/15/71/36/1119157136.db2.gz PGLAEDODDYBJJW-UHFFFAOYSA-N 0 0 261.328 3.662 50 30 CHEARN Cc1cccc2c1OCC(=Cc1c[nH]nc1C(C)(C)C)C2=O ZINC000066408004 1119884840 /nfs/dbraw/zinc/88/48/40/1119884840.db2.gz FWZXWAQKSJOCTI-MDWZMJQESA-N 0 0 296.370 3.674 50 30 CHEARN N#Cc1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000000118621 1120126889 /nfs/dbraw/zinc/12/68/89/1120126889.db2.gz GDFZTNIMNREKTD-UHFFFAOYSA-N 0 0 274.663 3.912 50 30 CHEARN N#Cc1cccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c1 ZINC000014175674 1120321050 /nfs/dbraw/zinc/32/10/50/1120321050.db2.gz BMENKJJQMDOBNU-VGOFMYFVSA-N 0 0 280.714 3.704 50 30 CHEARN Cc1nc(C)c(C(=O)N[C@H](c2cccs2)C2CC2)o1 ZINC000329829544 1120536048 /nfs/dbraw/zinc/53/60/48/1120536048.db2.gz DSMNHTCQUXLOOQ-LBPRGKRZSA-N 0 0 276.361 3.809 50 30 CHEARN Cn1ccc2ccc(NC(=O)c3ccnc(N=[N+]=[N-])c3)cc21 ZINC000108514179 1120752820 /nfs/dbraw/zinc/75/28/20/1120752820.db2.gz IXDXJINQIXJYBV-UHFFFAOYSA-N 0 0 292.302 3.767 50 30 CHEARN Cc1c(F)cccc1NC(=O)Nc1cccc(C#N)c1 ZINC000051354512 1120779318 /nfs/dbraw/zinc/77/93/18/1120779318.db2.gz UBKRVARXZIDVHE-UHFFFAOYSA-N 0 0 269.279 3.650 50 30 CHEARN C=CCn1c(SCC(=C)Cl)nnc1-c1ccco1 ZINC000048398021 1120816033 /nfs/dbraw/zinc/81/60/33/1120816033.db2.gz RZQSOLUCCLRONA-UHFFFAOYSA-N 0 0 281.768 3.569 50 30 CHEARN C=CCOc1c(=O)c2ccccc2oc1-c1ccco1 ZINC000002888848 1121032149 /nfs/dbraw/zinc/03/21/49/1121032149.db2.gz MFCCLHAIARUSJH-UHFFFAOYSA-N 0 0 268.268 3.618 50 30 CHEARN Cc1ccc(-c2nn(-c3ccccc3)cc2C=NO)cc1C ZINC000606442871 1121665406 /nfs/dbraw/zinc/66/54/06/1121665406.db2.gz KBTWNAQRMLFCBK-UHFFFAOYSA-N 0 0 291.354 3.964 50 30 CHEARN C=CCCC(=O)N[C@@H](c1ccsc1)c1cccs1 ZINC000618256159 1121701635 /nfs/dbraw/zinc/70/16/35/1121701635.db2.gz OJTVGROHNRVWPJ-AWEZNQCLSA-N 0 0 277.414 3.981 50 30 CHEARN CCc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1 ZINC000005646176 1123926616 /nfs/dbraw/zinc/92/66/16/1123926616.db2.gz XHBZWCHEMWXMHR-UHFFFAOYSA-N 0 0 264.332 3.571 50 30 CHEARN N#Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000125230 1125421087 /nfs/dbraw/zinc/42/10/87/1125421087.db2.gz YYVASTQFSXAUPG-UHFFFAOYSA-N 0 0 271.707 3.856 50 30 CHEARN Cc1nc(C)c(C)c(-c2ccc(C(C)(C)C#N)cc2)n1 ZINC000216090142 1125426602 /nfs/dbraw/zinc/42/66/02/1125426602.db2.gz DCMCGTIQQJWRFK-UHFFFAOYSA-N 0 0 265.360 3.870 50 30 CHEARN CC(C)CC1(CNC(=O)c2ccccc2C#N)CCC1 ZINC000826792179 1129342791 /nfs/dbraw/zinc/34/27/91/1129342791.db2.gz WOBHXERCKIVPQV-UHFFFAOYSA-N 0 0 270.376 3.504 50 30 CHEARN COc1cc(/C=C\C(=O)c2ccccc2C)cc(OC)c1O ZINC000097993498 1129636174 /nfs/dbraw/zinc/63/61/74/1129636174.db2.gz RCFZCYJNSYMWIN-HJWRWDBZSA-N 0 0 298.338 3.614 50 30 CHEARN COc1ccc2[nH]cc(C(=O)/C=C\c3scnc3C)c2c1 ZINC000098056090 1129643032 /nfs/dbraw/zinc/64/30/32/1129643032.db2.gz ZYENOVPRVVGURO-WAYWQWQTSA-N 0 0 298.367 3.838 50 30 CHEARN COc1ccccc1CC=CN=Nc1ccc([N+](=O)[O-])cc1 ZINC000254461876 1129696109 /nfs/dbraw/zinc/69/61/09/1129696109.db2.gz AMNPBYCYJJVLKZ-YHMMRNNVSA-N 0 0 297.314 3.715 50 30 CHEARN Clc1ccc(C=Nc2ccc3c(c2)OCO3)cc1 ZINC000254737250 1129707165 /nfs/dbraw/zinc/70/71/65/1129707165.db2.gz ZEHXDFPQLBOXGT-UHFFFAOYSA-N 0 0 259.692 3.819 50 30 CHEARN C=CCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1 ZINC000013137343 1129832084 /nfs/dbraw/zinc/83/20/84/1129832084.db2.gz PQFAKKPQFQYRBM-NTCAYCPXSA-N 0 0 292.334 3.910 50 30 CHEARN N#Cc1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000002632288 230367392 /nfs/dbraw/zinc/36/73/92/230367392.db2.gz OCWOKIXAPMYIFK-UHFFFAOYSA-N 0 0 272.307 3.964 50 30 CHEARN COc1ccc(-c2csc(N=NCc3ccco3)n2)cc1 ZINC000004070914 230368192 /nfs/dbraw/zinc/36/81/92/230368192.db2.gz DUWWCFGIRJNKHY-CXUHLZMHSA-N 0 0 299.355 3.858 50 30 CHEARN Oc1ccc2ccccc2c1/C=N\Cc1cccnc1 ZINC000095857885 185029996 /nfs/dbraw/zinc/02/99/96/185029996.db2.gz KEJZYIVPICKCDD-UNOMPAQXSA-N 0 0 262.312 3.560 50 30 CHEARN N#Cc1ccc(Br)c(OCc2ccccc2)c1 ZINC000095930419 185032440 /nfs/dbraw/zinc/03/24/40/185032440.db2.gz DZFHPUCEPWKNHF-UHFFFAOYSA-N 0 0 288.144 3.900 50 30 CHEARN Cc1ccccc1SCC(=O)N[C@](C)(C#N)C(C)(C)C ZINC000095997543 185061309 /nfs/dbraw/zinc/06/13/09/185061309.db2.gz AOVHXRIEPKDCQV-MRXNPFEDSA-N 0 0 290.432 3.532 50 30 CHEARN C[C@@H](c1ccc(F)cc1)[S@@](=O)CCCC(C)(C)C#N ZINC000083079951 178337314 /nfs/dbraw/zinc/33/73/14/178337314.db2.gz FMLVWECCVYWMTD-HXPMCKFVSA-N 0 0 281.396 3.965 50 30 CHEARN Cc1ccc(/C=C2/COc3ccccc3C2=O)s1 ZINC000096767386 185112487 /nfs/dbraw/zinc/11/24/87/185112487.db2.gz VUMYKYZVRTYLHT-FLIBITNWSA-N 0 0 256.326 3.715 50 30 CHEARN O=C1c2ccccc2C/C1=C/c1cc(O)c(O)c(Cl)c1 ZINC000096843506 185117188 /nfs/dbraw/zinc/11/71/88/185117188.db2.gz WTEHAPNRHXQNDR-WZUFQYTHSA-N 0 0 286.714 3.574 50 30 CHEARN CC(C)[C@@H]1C[C@@](CC#N)(Cc2ccccc2)CCO1 ZINC000085375927 179044268 /nfs/dbraw/zinc/04/42/68/179044268.db2.gz YGMRGLNLBOWLEJ-DLBZAZTESA-N 0 0 257.377 3.964 50 30 CHEARN CCCCNC=C1Sc2ccc(OCC)cc2C1=O ZINC000100177433 185707080 /nfs/dbraw/zinc/70/70/80/185707080.db2.gz VWIHKZIDWNTGEL-UVTDQMKNSA-N 0 0 277.389 3.605 50 30 CHEARN O=C1C=C(NCc2ccccc2)C[C@H](c2ccccc2)C1 ZINC000100937821 185730943 /nfs/dbraw/zinc/73/09/43/185730943.db2.gz AKCVUCHSNYTTJR-KRWDZBQOSA-N 0 0 277.367 3.807 50 30 CHEARN Cc1nc2ccc(NCc3cccc(C#N)c3)cc2o1 ZINC000089729878 179856379 /nfs/dbraw/zinc/85/63/79/179856379.db2.gz QTPVHPPTTDHJFY-UHFFFAOYSA-N 0 0 263.300 3.620 50 30 CHEARN CCN(CC#N)Cc1ccc(-c2cccc(F)c2C)o1 ZINC000092398748 180376871 /nfs/dbraw/zinc/37/68/71/180376871.db2.gz FLGMYLPVSRPKOS-UHFFFAOYSA-N 0 0 272.323 3.740 50 30 CHEARN N#Cc1ccccc1OCC(=O)c1ccc2ccccc2c1 ZINC000002627175 169816088 /nfs/dbraw/zinc/81/60/88/169816088.db2.gz LKMZFWLAEMQKHT-UHFFFAOYSA-N 0 0 287.318 3.973 50 30 CHEARN C[Si](C)(C)C#Cc1c2cc[nH]c2ncc1C(F)(F)F ZINC000169794204 188664957 /nfs/dbraw/zinc/66/49/57/188664957.db2.gz NWYBHFXLBJIPMT-UHFFFAOYSA-N 0 0 282.341 3.811 50 30 CHEARN C[Si](C)(C)CCCNc1ccc([N+](=O)[O-])cc1C#N ZINC000225536049 189757019 /nfs/dbraw/zinc/75/70/19/189757019.db2.gz AQKBBVUACHPWCR-UHFFFAOYSA-N 0 0 277.400 3.607 50 30 CHEARN C=CCCC(=O)N1CCC(OC2CCC(C)CC2)CC1 ZINC000253417827 189990607 /nfs/dbraw/zinc/99/06/07/189990607.db2.gz HCSFCDKPRNCWQQ-UHFFFAOYSA-N 0 0 279.424 3.539 50 30 CHEARN N#Cc1ccc(-c2cn3ccc(Br)cc3n2)cc1 ZINC000259972920 190038712 /nfs/dbraw/zinc/03/87/12/190038712.db2.gz IQKVWPWKOVXQRF-UHFFFAOYSA-N 0 0 298.143 3.635 50 30 CHEARN COC(=O)CC1=C(C)C(=O)C[C@H]2C(C)(C)CCC[C@@]12C ZINC000000034195 169511091 /nfs/dbraw/zinc/51/10/91/169511091.db2.gz YTAQULCZDXWXPY-YOEHRIQHSA-N 0 0 278.392 3.671 50 30 CHEARN COc1cccc2c1Oc1cc([N+](=O)[O-])cc(C#N)c1C=C2 ZINC000000034458 169511645 /nfs/dbraw/zinc/51/16/45/169511645.db2.gz BNYGRMTUMYHUQQ-UHFFFAOYSA-N 0 0 294.266 3.751 50 30 CHEARN CC(=O)C(=NNc1c(C)cc(C(C)(C)C)cc1C)C(C)=O ZINC000000074740 169527381 /nfs/dbraw/zinc/52/73/81/169527381.db2.gz AHQVFMJFBCPUSP-UHFFFAOYSA-N 0 0 288.391 3.547 50 30 CHEARN CCOC(=O)c1cc(C)nc(Sc2ccccc2)c1C#N ZINC000000115029 169541228 /nfs/dbraw/zinc/54/12/28/169541228.db2.gz AMLDTLOMGKPZBE-UHFFFAOYSA-N 0 0 298.367 3.590 50 30 CHEARN CSc1c2c(c(C#N)c3nc4ccccc4n31)CCCC2 ZINC000000156825 169557677 /nfs/dbraw/zinc/55/76/77/169557677.db2.gz IYDSSDZGCVLPOG-UHFFFAOYSA-N 0 0 293.395 3.960 50 30 CHEARN C(=N/N=C(c1ccccc1)c1ccccc1)\c1cccnc1 ZINC000000432980 169639158 /nfs/dbraw/zinc/63/91/58/169639158.db2.gz MXLFAJAWORICJV-RCCKNPSSSA-N 0 0 285.350 3.953 50 30 CHEARN Cc1ccc(C)c(C=C2C(=O)c3ccccc3C2=O)c1 ZINC000000500017 169657428 /nfs/dbraw/zinc/65/74/28/169657428.db2.gz CGWZIFNCOMRQCH-UHFFFAOYSA-N 0 0 262.308 3.766 50 30 CHEARN O=C1C=Cc2ccccc2C1=NNc1cccc(Cl)c1 ZINC000252428540 256867164 /nfs/dbraw/zinc/86/71/64/256867164.db2.gz KHLGXFNCQOCEDF-UHFFFAOYSA-N 0 0 282.730 3.752 50 30 CHEARN COc1ccccc1CNC(=S)Nc1ccc(F)cc1 ZINC000000536996 169664257 /nfs/dbraw/zinc/66/42/57/169664257.db2.gz GNCUTQRLRAOMGB-UHFFFAOYSA-N 0 0 290.363 3.732 50 30 CHEARN Cc1cc(NCC(C)C)n2c3ccccc3nc2c1C#N ZINC000000542703 169665197 /nfs/dbraw/zinc/66/51/97/169665197.db2.gz ZGTBISHRRHOTSI-UHFFFAOYSA-N 0 0 278.359 3.736 50 30 CHEARN CC(=O)/C(Br)=C/c1ccc(Cl)cc1 ZINC000001395828 169700634 /nfs/dbraw/zinc/70/06/34/169700634.db2.gz SNCSMCVPQYZGKV-POHAHGRESA-N 0 0 259.530 3.665 50 30 CHEARN O=C(O/N=C1\CCCc2ccccc21)c1cccs1 ZINC000001396228 169700853 /nfs/dbraw/zinc/70/08/53/169700853.db2.gz OZJFSGBZCSPKRN-DTQAZKPQSA-N 0 0 271.341 3.646 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1/C=C/c1cccs1 ZINC000002166175 169778509 /nfs/dbraw/zinc/77/85/09/169778509.db2.gz JKEMCKRTRVBUCJ-GQCTYLIASA-N 0 0 256.286 3.698 50 30 CHEARN CCOc1ccc(/N=C/c2ccccc2OC)cc1 ZINC000002171456 169779181 /nfs/dbraw/zinc/77/91/81/169779181.db2.gz IYBYTGCNDCABOX-SFQUDFHCSA-N 0 0 255.317 3.845 50 30 CHEARN CC(=O)Nc1ccc(NC=CC(=O)c2ccc(F)cc2)cc1 ZINC000002793861 169831903 /nfs/dbraw/zinc/83/19/03/169831903.db2.gz WFWWCBVWYRDCHA-ZHACJKMWSA-N 0 0 298.317 3.593 50 30 CHEARN Cc1cc(C(=O)CC#N)c(C)n1Cc1ccccc1Cl ZINC000003331318 169879869 /nfs/dbraw/zinc/87/98/69/169879869.db2.gz OASXNLRYSLJZSS-UHFFFAOYSA-N 0 0 286.762 3.903 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(Cl)c1 ZINC000003611786 169902264 /nfs/dbraw/zinc/90/22/64/169902264.db2.gz SHTFCCSZQQZEBZ-UHFFFAOYSA-N 0 0 274.663 3.912 50 30 CHEARN CNc1ccccc(C(=O)/C=C/c2ccc(C)c(C)c2)c1=O ZINC000004667382 169995864 /nfs/dbraw/zinc/99/58/64/169995864.db2.gz KUROKIAHNLTJKC-ZHACJKMWSA-N 0 0 293.366 3.601 50 30 CHEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccccc2)c1C ZINC000004728553 170007333 /nfs/dbraw/zinc/00/73/33/170007333.db2.gz QDYFTUFZXFSLLQ-ZHACJKMWSA-N 0 0 297.354 3.704 50 30 CHEARN CC1=NN([C@@H](C#N)c2ccco2)[C@H](c2ccccc2)C1 ZINC000004770503 170013847 /nfs/dbraw/zinc/01/38/47/170013847.db2.gz RHVNKVLKZPTBPV-GJZGRUSLSA-N 0 0 265.316 3.667 50 30 CHEARN Cc1nc2ccccc2nc1N=NCc1ccc(F)cc1 ZINC000004772819 170014528 /nfs/dbraw/zinc/01/45/28/170014528.db2.gz RNWMPXWQZJHDBY-VCHYOVAHSA-N 0 0 280.306 3.523 50 30 CHEARN CC[C@H](C)Oc1c(Br)cc(C#N)cc1OC ZINC000004808031 170020534 /nfs/dbraw/zinc/02/05/34/170020534.db2.gz JHTRXSCVQQZJNG-QMMMGPOBSA-N 0 0 284.153 3.507 50 30 CHEARN N#Cc1ccccc1CSc1nnc(-c2ccccc2)o1 ZINC000004825815 170024409 /nfs/dbraw/zinc/02/44/09/170024409.db2.gz VOXFBCTWXMDMJW-UHFFFAOYSA-N 0 0 293.351 3.901 50 30 CHEARN C=CCOc1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000004854934 170031127 /nfs/dbraw/zinc/03/11/27/170031127.db2.gz YSRAFEUMMDUQCB-UHFFFAOYSA-N 0 0 267.328 3.812 50 30 CHEARN Cc1ccc(NN=C(C#N)c2nc3ccccc3s2)cc1 ZINC000004953402 170044801 /nfs/dbraw/zinc/04/48/01/170044801.db2.gz FDXUXJFBWHNXED-XSFVSMFZSA-N 0 0 292.367 3.945 50 30 CHEARN CC1(C)Cc2ccccc2C(Nc2ccc([N+](=O)[O-])cc2)=N1 ZINC000005010375 170054977 /nfs/dbraw/zinc/05/49/77/170054977.db2.gz NSCSSEZEBDBJOA-UHFFFAOYSA-N 0 0 295.342 3.597 50 30 CHEARN CCc1ccc(C=C(C)C(=O)c2c(C)cc(C)[nH]c2=O)cc1 ZINC000005033842 170058652 /nfs/dbraw/zinc/05/86/52/170058652.db2.gz MXFIKEXXELNCBD-ACCUITESSA-N 0 0 295.382 3.840 50 30 CHEARN CC(=CC(=O)c1ccc(C)o1)Nc1cc(C)ccc1O ZINC000005041425 170059497 /nfs/dbraw/zinc/05/94/97/170059497.db2.gz LIBAPUPUJHEVSH-PKNBQFBNSA-N 0 0 271.316 3.801 50 30 CHEARN CC(=O)/C=C(\C)NC(=O)c1sc2ccccc2c1Cl ZINC000005044478 170060332 /nfs/dbraw/zinc/06/03/32/170060332.db2.gz FWKVFBQZIDTFRA-BQYQJAHWSA-N 0 0 293.775 3.777 50 30 CHEARN COc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1OC ZINC000005073093 170064365 /nfs/dbraw/zinc/06/43/65/170064365.db2.gz SMZKJTCSHIJSTJ-DHZHZOJOSA-N 0 0 286.302 3.739 50 30 CHEARN CSc1ccc(C(=O)/C=C/c2ccc(N)cc2)cc1 ZINC000005105259 170066747 /nfs/dbraw/zinc/06/67/47/170066747.db2.gz ZBFXLZDNIHCWIK-NYYWCZLTSA-N 0 0 269.369 3.887 50 30 CHEARN CCOc1ccc(/C=C/C(=O)c2ccccc2)cc1OC ZINC000005112179 170067073 /nfs/dbraw/zinc/06/70/73/170067073.db2.gz WQRJZBDIIYXRSP-PKNBQFBNSA-N 0 0 282.339 3.990 50 30 CHEARN O=C(/C=C/c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000005128190 170068837 /nfs/dbraw/zinc/06/88/37/170068837.db2.gz GJELHMVLECRVNP-RUDMXATFSA-N 0 0 271.247 3.630 50 30 CHEARN Cc1sc(NC(=O)/C=C/c2ccccc2)c(C#N)c1C ZINC000005144835 170070409 /nfs/dbraw/zinc/07/04/09/170070409.db2.gz ZSORVLLHUYUMGL-CMDGGOBGSA-N 0 0 282.368 3.889 50 30 CHEARN CCOc1ccc(NC2=C(Cl)C(=O)C[C@H](C)C2)cc1 ZINC000005196990 170075285 /nfs/dbraw/zinc/07/52/85/170075285.db2.gz HGNFTFDTZORBBW-SNVBAGLBSA-N 0 0 279.767 3.947 50 30 CHEARN CO/N=C\c1c(Sc2ccccc2)nc2sccn12 ZINC000005209543 170076182 /nfs/dbraw/zinc/07/61/82/170076182.db2.gz YZFJLSLQIVKBOO-ZROIWOOFSA-N 0 0 289.385 3.527 50 30 CHEARN N#Cc1ccccc1OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005216040 170076939 /nfs/dbraw/zinc/07/69/39/170076939.db2.gz MOMHDJDTCNGRRW-UHFFFAOYSA-N 0 0 295.382 3.723 50 30 CHEARN COc1ccccc1C/N=C/c1cc(Cl)ccc1O ZINC000005288045 170083352 /nfs/dbraw/zinc/08/33/52/170083352.db2.gz PQLYKJDYLDMGDJ-LICLKQGHSA-N 0 0 275.735 3.673 50 30 CHEARN CN(C)c1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005333923 170086629 /nfs/dbraw/zinc/08/66/29/170086629.db2.gz QIJHFXFAZCYBGP-LFYBBSHMSA-N 0 0 296.326 3.557 50 30 CHEARN O/N=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000005344504 170087609 /nfs/dbraw/zinc/08/76/09/170087609.db2.gz RDUFCPNLYHCHSI-PXNMLYILSA-N 0 0 272.691 3.956 50 30 CHEARN O=C(C=CNc1cccc(O)c1)c1ccc(Cl)cc1 ZINC000005344308 170087900 /nfs/dbraw/zinc/08/79/00/170087900.db2.gz GLSYIJXJSHYMCQ-CMDGGOBGSA-N 0 0 273.719 3.854 50 30 CHEARN COc1ccc(C(=O)/C=C/c2cc(OC)ccc2OC)cc1 ZINC000005443421 170099770 /nfs/dbraw/zinc/09/97/70/170099770.db2.gz SVNGLYGVFCJUPR-UXBLZVDNSA-N 0 0 298.338 3.609 50 30 biogenic CHEARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C#N)c(C)c1 ZINC000005476004 170102774 /nfs/dbraw/zinc/10/27/74/170102774.db2.gz RVBPVUMAQKCJKO-AWEZNQCLSA-N 0 0 294.354 3.581 50 30 CHEARN Cc1ccc(/C=N/c2ccc3c(c2)OCO3)c(C)c1 ZINC000005793463 170140830 /nfs/dbraw/zinc/14/08/30/170140830.db2.gz KEFAWZVTAYYWID-RQZCQDPDSA-N 0 0 253.301 3.783 50 30 CHEARN CC(=CC(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000005816506 170142720 /nfs/dbraw/zinc/14/27/20/170142720.db2.gz HKWZBHJLUFDHNB-FMIVXFBMSA-N 0 0 281.311 3.614 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1O ZINC000005854560 170147261 /nfs/dbraw/zinc/14/72/61/170147261.db2.gz RAGGWRQGRIKVOR-SOFGYWHQSA-N 0 0 288.730 3.950 50 30 CHEARN C=CCNC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000005899109 170152168 /nfs/dbraw/zinc/15/21/68/170152168.db2.gz MCWZKEOTIFQDNS-MRXNPFEDSA-N 0 0 283.396 3.822 50 30 CHEARN N#C[C@H]1c2ccccc2C=CN1C(=O)c1c(F)cccc1F ZINC000005903769 170152371 /nfs/dbraw/zinc/15/23/71/170152371.db2.gz DHUONXBRYQVQFB-HNNXBMFYSA-N 0 0 296.276 3.656 50 30 CHEARN CC[C@H](c1ccc(O)cc1)[C@@H](C#N)c1ccc(O)cc1 ZINC000005925926 170156539 /nfs/dbraw/zinc/15/65/39/170156539.db2.gz MUSZSITXXJNLPD-SJORKVTESA-N 0 0 267.328 3.899 50 30 CHEARN CC(C)c1ccc(NC(=S)N/N=C/c2cccnc2)cc1 ZINC000006405861 170199169 /nfs/dbraw/zinc/19/91/69/170199169.db2.gz GEVRTVJUOPFFBN-WOJGMQOQSA-N 0 0 298.415 3.526 50 30 CHEARN CCn1ncc(/C=C/C(=O)c2ccc(Cl)cc2)c1C ZINC000006556017 170212824 /nfs/dbraw/zinc/21/28/24/170212824.db2.gz AZEXOYDVDDSNES-RMKNXTFCSA-N 0 0 274.751 3.761 50 30 CHEARN C=CCOc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000006701059 170229442 /nfs/dbraw/zinc/22/94/42/170229442.db2.gz WFPPVRKVANWPKC-UHFFFAOYSA-N 0 0 253.301 3.504 50 30 CHEARN C=CCOc1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000006703803 170230617 /nfs/dbraw/zinc/23/06/17/170230617.db2.gz ZJXSWIIESHNXQB-UHFFFAOYSA-N 0 0 299.395 3.982 50 30 CHEARN C[C@@H]1CCc2sc(C(=O)Nc3ccccc3C#N)cc2C1 ZINC000006726319 170233315 /nfs/dbraw/zinc/23/33/15/170233315.db2.gz SRQBELXMGIWYKN-LLVKDONJSA-N 0 0 296.395 3.997 50 30 CHEARN Cc1occc1-c1nnc(SCc2cccc(C#N)c2)o1 ZINC000007194266 170270534 /nfs/dbraw/zinc/27/05/34/170270534.db2.gz CNODPQLMHGODNQ-UHFFFAOYSA-N 0 0 297.339 3.802 50 30 CHEARN Cc1ccc(N[C@H](C)C(=O)Nc2ccccc2C#N)cc1C ZINC000007222938 170273009 /nfs/dbraw/zinc/27/30/09/170273009.db2.gz QKZFODFJVBWDNJ-CQSZACIVSA-N 0 0 293.370 3.614 50 30 CHEARN CC(=O)Nc1cccc(C(=O)/C=C/c2ccccc2)c1 ZINC000007743944 170300118 /nfs/dbraw/zinc/30/01/18/170300118.db2.gz OJASVVYKGMYYOD-ZHACJKMWSA-N 0 0 265.312 3.541 50 30 CHEARN Cc1cc(/C=C2\Cc3ccccc3C2=O)cc(C)c1O ZINC000007742175 170300283 /nfs/dbraw/zinc/30/02/83/170300283.db2.gz OPDMUVSTUVIHEE-OQLLNIDSSA-N 0 0 264.324 3.831 50 30 CHEARN CCc1cc(OC(=O)c2cccc(C#N)c2)ccc1Cl ZINC000007801808 170303527 /nfs/dbraw/zinc/30/35/27/170303527.db2.gz UPENNZABBBKURN-UHFFFAOYSA-N 0 0 285.730 3.993 50 30 CHEARN C=CCNc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000007843331 170304559 /nfs/dbraw/zinc/30/45/59/170304559.db2.gz PRJJCKFRUBFMJZ-UHFFFAOYSA-N 0 0 256.374 3.897 50 30 CHEARN COc1cc(C(=O)/C=C/c2ccccc2C)ccc1O ZINC000008322733 170331023 /nfs/dbraw/zinc/33/10/23/170331023.db2.gz IFTVVEZSBGYXQZ-VQHVLOKHSA-N 0 0 268.312 3.605 50 30 CHEARN CCCCCCCn1c2ccccc2nc1-c1nonc1N ZINC000008442482 170336358 /nfs/dbraw/zinc/33/63/58/170336358.db2.gz XBKOBSLMTPUFFN-UHFFFAOYSA-N 0 0 299.378 3.639 50 30 CHEARN COc1cc(C#N)ccc1OCc1cc(C)ccc1C ZINC000008491648 170337601 /nfs/dbraw/zinc/33/76/01/170337601.db2.gz HBHWVCMFDXZVHG-UHFFFAOYSA-N 0 0 267.328 3.763 50 30 CHEARN C#CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000008570378 170341027 /nfs/dbraw/zinc/34/10/27/170341027.db2.gz OOXKSVVHZXPKNM-UHFFFAOYSA-N 0 0 299.757 3.913 50 30 CHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)c1cccnc1 ZINC000008654480 170344335 /nfs/dbraw/zinc/34/43/35/170344335.db2.gz IKLHALRILQBKSP-BOPFTXTBSA-N 0 0 278.355 3.576 50 30 CHEARN Cc1cc(C)cc(NC(=S)NCc2cccnc2)c1 ZINC000008683591 170345542 /nfs/dbraw/zinc/34/55/42/170345542.db2.gz WSBQDNZHFNBKGL-UHFFFAOYSA-N 0 0 271.389 3.596 50 30 CHEARN C=C(C)CSc1nnc2cc(C)c3ccc(OC)cc3n21 ZINC000009221075 170367742 /nfs/dbraw/zinc/36/77/42/170367742.db2.gz GEBXCKLQGRKTNO-UHFFFAOYSA-N 0 0 299.399 3.868 50 30 CHEARN N#Cc1sc2nc(-c3ccc(F)cc3F)ccc2c1N ZINC000009341555 170373081 /nfs/dbraw/zinc/37/30/81/170373081.db2.gz YLUGOBPTSGXDIV-UHFFFAOYSA-N 0 0 287.294 3.695 50 30 CHEARN C=C(C)COc1cccc(NC(=O)Cc2ccccc2)c1 ZINC000009823921 170386247 /nfs/dbraw/zinc/38/62/47/170386247.db2.gz YNHRRVLSFBFDLJ-UHFFFAOYSA-N 0 0 281.355 3.823 50 30 CHEARN C=CCOc1ccccc1[C@@H]1CC(=O)Nc2ccsc21 ZINC000012363638 170479861 /nfs/dbraw/zinc/47/98/61/170479861.db2.gz CFZGATXNQRZQMD-LBPRGKRZSA-N 0 0 285.368 3.787 50 30 CHEARN Cc1c2c(c(C#N)c3nc4ccccc4n31)CCCC2 ZINC000012600732 170500237 /nfs/dbraw/zinc/50/02/37/170500237.db2.gz GEKHJBYBVPZTQI-UHFFFAOYSA-N 0 0 261.328 3.546 50 30 CHEARN C#Cc1cccc(NC(=O)C(C)(C)c2ccccc2)c1 ZINC000012977262 170524432 /nfs/dbraw/zinc/52/44/32/170524432.db2.gz HKTSVMGLJHYEMB-UHFFFAOYSA-N 0 0 263.340 3.584 50 30 CHEARN C#Cc1cccc(NC(=O)c2ccc(Cl)cc2F)c1 ZINC000013001623 170527065 /nfs/dbraw/zinc/52/70/65/170527065.db2.gz RJYXPXQWLBYDSJ-UHFFFAOYSA-N 0 0 273.694 3.713 50 30 CHEARN CCCOc1ccc(NC=C2CCCCC2=O)cc1 ZINC000013065870 170530346 /nfs/dbraw/zinc/53/03/46/170530346.db2.gz OZALCFYJVXQXAT-SEYXRHQNSA-N 0 0 259.349 3.914 50 30 CHEARN Fc1ccc(CNC(=S)NC2CCCCC2)cc1 ZINC000013519377 170557709 /nfs/dbraw/zinc/55/77/09/170557709.db2.gz PXAFFKGVHUUBFQ-UHFFFAOYSA-N 0 0 266.385 3.534 50 30 CHEARN Cc1noc2c1[C@H](c1cccc(F)c1)C1=C(CCCC1=O)N2 ZINC000013690423 170579270 /nfs/dbraw/zinc/57/92/70/170579270.db2.gz FDYXUPPBYKRDBT-HNNXBMFYSA-N 0 0 298.317 3.687 50 30 CHEARN Cc1c(CC(C)C)nc(N)c(C#N)c1-c1ccccc1 ZINC000019608436 170830285 /nfs/dbraw/zinc/83/02/85/170830285.db2.gz GBNRFZRZBGGHHB-UHFFFAOYSA-N 0 0 265.360 3.709 50 30 CHEARN COc1ccccc1-c1c(C)c(CC(C)C)nc(N)c1C#N ZINC000019707543 170842226 /nfs/dbraw/zinc/84/22/26/170842226.db2.gz YEPXPRYXDUMCDC-UHFFFAOYSA-N 0 0 295.386 3.718 50 30 CHEARN N#Cc1c(-c2ccc(Cl)cc2)ccnc1NC1CC1 ZINC000020405714 171182303 /nfs/dbraw/zinc/18/23/03/171182303.db2.gz FHLLSKFAZDZDGW-UHFFFAOYSA-N 0 0 269.735 3.848 50 30 CHEARN N#Cc1ccsc1NC(=O)c1ccc(F)cc1Cl ZINC000020442187 171204831 /nfs/dbraw/zinc/20/48/31/171204831.db2.gz GOWVFXOGWBTUNZ-UHFFFAOYSA-N 0 0 280.711 3.665 50 30 CHEARN C=C(C)Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)CC ZINC000021787074 171322652 /nfs/dbraw/zinc/32/26/52/171322652.db2.gz AKDCTWGIRWMUPT-INIZCTEOSA-N 0 0 297.402 3.686 50 30 CHEARN C=C(C)CNC(=S)NC1c2ccccc2-c2ccccc21 ZINC000022270939 171383609 /nfs/dbraw/zinc/38/36/09/171383609.db2.gz TYMDEBRMTSWSNG-UHFFFAOYSA-N 0 0 294.423 3.797 50 30 CHEARN C=CCCC(=O)Nc1sc(C(C)C)cc1C(=O)OCC ZINC000022316945 171384689 /nfs/dbraw/zinc/38/46/89/171384689.db2.gz ZXQMKBQDWJJJRX-UHFFFAOYSA-N 0 0 295.404 3.953 50 30 CHEARN C[C@H](Nc1ncccc1C#N)c1ccccc1OC(F)F ZINC000026718686 171496677 /nfs/dbraw/zinc/49/66/77/171496677.db2.gz JSBRHSXJBQERLV-JTQLQIEISA-N 0 0 289.285 3.728 50 30 CHEARN Cc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000032860097 171755658 /nfs/dbraw/zinc/75/56/58/171755658.db2.gz IEQCBLJJIPKHMO-GFCCVEGCSA-N 0 0 281.315 3.948 50 30 CHEARN Cc1ccc(C(=O)/C=C\c2coc3ccccc3c2=O)cc1 ZINC000033547206 171813325 /nfs/dbraw/zinc/81/33/25/171813325.db2.gz JVOHKUCPCRMTCZ-KHPPLWFESA-N 0 0 290.318 3.998 50 30 CHEARN N#CCc1c(F)cc(C(F)(F)F)cc1C(F)(F)F ZINC000038529829 174144341 /nfs/dbraw/zinc/14/43/41/174144341.db2.gz MIQUUQQQMNXLDS-UHFFFAOYSA-N 0 0 271.135 3.929 50 30 CHEARN CCOc1cccc(/C=C/C(=O)c2ccc(C#N)cc2)c1 ZINC000040139517 174194126 /nfs/dbraw/zinc/19/41/26/174194126.db2.gz OIMSAXSQSRQKJD-DHZHZOJOSA-N 0 0 277.323 3.853 50 30 CHEARN Cc1n[nH]c(C)c1/C=C/C(=O)c1cccc(Cl)c1 ZINC000040139552 174194295 /nfs/dbraw/zinc/19/42/95/174194295.db2.gz HIBCKUWXVMNMAE-VOTSOKGWSA-N 0 0 260.724 3.576 50 30 CHEARN Cc1cccc(-c2oc3ccccc3c(=O)c2C#N)c1 ZINC000040156629 174194433 /nfs/dbraw/zinc/19/44/33/174194433.db2.gz KYWAGHDTARCATN-UHFFFAOYSA-N 0 0 261.280 3.640 50 30 CHEARN COC(=O)c1ccc(/N=C/c2cc(Cl)ccc2O)cc1 ZINC000040477011 174282638 /nfs/dbraw/zinc/28/26/38/174282638.db2.gz LOPLMDBIDALFLI-RQZCQDPDSA-N 0 0 289.718 3.583 50 30 CHEARN N#Cc1cccc(NC(=O)N2CCC[C@H]2c2ccsc2)c1 ZINC000044936999 175281630 /nfs/dbraw/zinc/28/16/30/175281630.db2.gz KXAVJSDVHQGPIX-HNNXBMFYSA-N 0 0 297.383 3.989 50 30 CHEARN CC(=O)Nc1cc(Cl)ccc1NCc1ccccc1C#N ZINC000069708575 175849102 /nfs/dbraw/zinc/84/91/02/175849102.db2.gz JPZYYWXOTPXMER-UHFFFAOYSA-N 0 0 299.761 3.782 50 30 CHEARN Cc1cc(F)ccc1-c1cc(-c2ccc[nH]2)nc(N)c1C#N ZINC000071764035 176261974 /nfs/dbraw/zinc/26/19/74/176261974.db2.gz FBCUYDSSBANELV-UHFFFAOYSA-N 0 0 292.317 3.645 50 30 CHEARN N#Cc1cccnc1NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000071828005 176272400 /nfs/dbraw/zinc/27/24/00/176272400.db2.gz FKNYSTKPIDZUTF-IAGOWNOFSA-N 0 0 293.370 3.533 50 30 CHEARN CCO[C@@H](C)c1nc(COc2cccc(C#N)c2)cs1 ZINC000071914891 176298799 /nfs/dbraw/zinc/29/87/99/176298799.db2.gz JYZXTCKZHQHLFK-NSHDSACASA-N 0 0 288.372 3.691 50 30 CHEARN C=C(Cl)C[S@@](=O)Cc1csc(C2CCCC2)n1 ZINC000078394742 177337193 /nfs/dbraw/zinc/33/71/93/177337193.db2.gz IUTKIQJRZRUVEB-KRWDZBQOSA-N 0 0 289.853 3.802 50 30 CHEARN Cc1ccc([N+](=O)[O-])cc1/N=C/c1ccc([N+](=O)[O-])s1 ZINC000002842600 260010343 /nfs/dbraw/zinc/01/03/43/260010343.db2.gz ONUBSTUQFRGGFR-NTUHNPAUSA-N 0 0 291.288 3.624 50 30 CHEARN O=C1c2ccccc2S/C1=C\c1ccc([N+](=O)[O-])o1 ZINC000022033245 262344033 /nfs/dbraw/zinc/34/40/33/262344033.db2.gz RRVYVDIGDWIJML-XFFZJAGNSA-N 0 0 273.269 3.517 50 30 CHEARN COc1ccccc1C=NNc1cc(C)c2ccccc2n1 ZINC000004869559 326812563 /nfs/dbraw/zinc/81/25/63/326812563.db2.gz MXCJOQVCDAHLRM-XDHOZWIPSA-N 0 0 291.354 3.998 50 30 CHEARN N#C[C@@H](c1cn2cc(Cl)ccc2n1)c1ccccc1 ZINC000013301144 326839001 /nfs/dbraw/zinc/83/90/01/326839001.db2.gz OSSYNAWLXFINRU-CYBMUJFWSA-N 0 0 267.719 3.643 50 30 CHEARN N#Cc1cccnc1NCc1nc(-c2ccccc2)cs1 ZINC000032916221 326898287 /nfs/dbraw/zinc/89/82/87/326898287.db2.gz UBZHLQJTIVXRAF-UHFFFAOYSA-N 0 0 292.367 3.689 50 30 CHEARN Cc1cc(-c2ccc(C#N)s2)ncc1Br ZINC000536954260 330382889 /nfs/dbraw/zinc/38/28/89/330382889.db2.gz OVDMHQBZRSFJBV-UHFFFAOYSA-N 0 0 279.162 3.753 50 30 CHEARN Cc1cc(Cl)cc2nc(S[C@H](C)C#N)oc21 ZINC000117118098 533771926 /nfs/dbraw/zinc/77/19/26/533771926.db2.gz HTNCUIYHQYHHMK-SSDOTTSWSA-N 0 0 252.726 3.794 50 30 CHEARN C[C@@H]1CCc2sc(NC(=O)c3ccco3)c(C#N)c2C1 ZINC000004069990 534271056 /nfs/dbraw/zinc/27/10/56/534271056.db2.gz VFCSRXKXMNFPJN-SECBINFHSA-N 0 0 286.356 3.590 50 30 CHEARN C=C(Cl)CN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000061079312 518648695 /nfs/dbraw/zinc/64/86/95/518648695.db2.gz PZTUKVUTTGBGPC-UHFFFAOYSA-N 0 0 299.748 3.612 50 30 CHEARN C=CCCC(=O)NCc1cccnc1Oc1ccccc1C ZINC000011822009 518694307 /nfs/dbraw/zinc/69/43/07/518694307.db2.gz KTZCAALEDKOITC-UHFFFAOYSA-N 0 0 296.370 3.765 50 30 CHEARN C=CC[N@@H+]([C@H](C(=O)[O-])c1ccc(F)c(C)c1)C1CCCC1 ZINC000067934752 518803100 /nfs/dbraw/zinc/80/31/00/518803100.db2.gz VNGQUFZSPPJBLY-INIZCTEOSA-N 0 0 291.366 3.690 50 30 CHEARN C=CCC1(C(=O)N2CC[C@H]2c2ccccc2F)CCC1 ZINC000253427699 534586085 /nfs/dbraw/zinc/58/60/85/534586085.db2.gz ALMNSURBHZFEGX-HNNXBMFYSA-N 0 0 273.351 3.846 50 30 CHEARN CN(C)/C=C/C(=O)c1ccc(-c2ccccc2)c(F)c1 ZINC000067802517 523967594 /nfs/dbraw/zinc/96/75/94/523967594.db2.gz NDFSJPDKGCMCOA-ZHACJKMWSA-N 0 0 269.319 3.751 50 30 CHEARN N#Cc1ccccc1NC(=O)c1ccc2ccccc2c1 ZINC000000513746 534818028 /nfs/dbraw/zinc/81/80/28/534818028.db2.gz PNTNRMYCZBKMMW-UHFFFAOYSA-N 0 0 272.307 3.964 50 30 CHEARN CC(=O)Nc1ccc(C)c(NCc2cc(C#N)ccc2F)c1 ZINC000096453355 526960282 /nfs/dbraw/zinc/96/02/82/526960282.db2.gz FCKCAYYVRVVEPG-UHFFFAOYSA-N 0 0 297.333 3.576 50 30 CHEARN O=C(/C=C\c1cc(Br)cs1)c1cccnc1 ZINC000057825053 527654361 /nfs/dbraw/zinc/65/43/61/527654361.db2.gz AJZHIOUQSDACBQ-ARJAWSKDSA-N 0 0 294.173 3.802 50 30 CHEARN CCCCCCCNS(=O)(=O)c1cc(C)c(C)cc1C ZINC000098048391 528134076 /nfs/dbraw/zinc/13/40/76/528134076.db2.gz VNQIOIHVXATMEY-UHFFFAOYSA-N 0 0 297.464 3.861 50 30 CHEARN CC1(C)CCCN(C(=O)CCCc2cccs2)[C@H]1C#N ZINC000277919284 528925224 /nfs/dbraw/zinc/92/52/24/528925224.db2.gz MZKTXLPCGQRPMQ-AWEZNQCLSA-N 0 0 290.432 3.612 50 30 CHEARN O=C1CCCC(=O)C1=CNc1ccc(Cl)cc1Cl ZINC000001392691 567836982 /nfs/dbraw/zinc/83/69/82/567836982.db2.gz LJZNWSGJVVIXFA-UHFFFAOYSA-N 0 0 284.142 3.611 50 30 CHEARN CCCCCCCNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000002734352 567860360 /nfs/dbraw/zinc/86/03/60/567860360.db2.gz TXOMTHRKLJOQFN-JKSUJKDBSA-N 0 0 259.393 3.877 50 30 CHEARN N#Cc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 ZINC000003327456 566849761 /nfs/dbraw/zinc/84/97/61/566849761.db2.gz JCIPYTRODXOJFU-UHFFFAOYSA-N 0 0 295.323 3.527 50 30 CHEARN COc1ccc(CN=Nc2ncc(Cl)cc2Cl)cc1 ZINC000004132074 566861912 /nfs/dbraw/zinc/86/19/12/566861912.db2.gz XPLBNDHUIVLXSC-REZTVBANSA-N 0 0 296.157 3.843 50 30 CHEARN CC(C)NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000001382464 566866345 /nfs/dbraw/zinc/86/63/45/566866345.db2.gz FURNYMRBJGXQEO-UHFFFAOYSA-N 0 0 296.395 3.848 50 30 CHEARN Nc1nc(-c2ccc(Cl)cc2)cn1/N=C/c1ccccc1 ZINC000001391501 566868971 /nfs/dbraw/zinc/86/89/71/566868971.db2.gz QPSZQDKINQNBDK-VXLYETTFSA-N 0 0 296.761 3.668 50 30 CHEARN N#Cc1cc2c(nc1NC1CCCCC1)CCCC2 ZINC000012767451 566882711 /nfs/dbraw/zinc/88/27/11/566882711.db2.gz DQNVJUOVXHJGDR-UHFFFAOYSA-N 0 0 255.365 3.577 50 30 CHEARN N#Cc1nc(C(F)(F)F)ccc1-c1ccccc1F ZINC000047206356 566888933 /nfs/dbraw/zinc/88/89/33/566888933.db2.gz NQSJKYAPSMWMTH-UHFFFAOYSA-N 0 0 266.197 3.778 50 30 CHEARN N#Cc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000012808217 566892142 /nfs/dbraw/zinc/89/21/42/566892142.db2.gz ZGKDXOMOMNITLU-UHFFFAOYSA-N 0 0 289.338 3.611 50 30 CHEARN C=CCn1c2ccccc2nc1-c1ccc(OC)cc1 ZINC000000194310 566897029 /nfs/dbraw/zinc/89/70/29/566897029.db2.gz CPUJXJFFACUBOF-UHFFFAOYSA-N 0 0 264.328 3.898 50 30 CHEARN C=CCn1c2ccccc2c2nc3ccccc3nc21 ZINC000000205527 566899058 /nfs/dbraw/zinc/89/90/58/566899058.db2.gz CCHYYTZYGPCVGS-UHFFFAOYSA-N 0 0 259.312 3.924 50 30 CHEARN C#Cc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000000454780 566899333 /nfs/dbraw/zinc/89/93/33/566899333.db2.gz ZUHKVBYZTUTMIA-UHFFFAOYSA-N 0 0 269.731 3.503 50 30 CHEARN C=CCn1c2ccccc2nc1-c1ccc(OC)c(OC)c1 ZINC000000520103 566899614 /nfs/dbraw/zinc/89/96/14/566899614.db2.gz GBNULVQDZYQSHG-UHFFFAOYSA-N 0 0 294.354 3.907 50 30 CHEARN COc1ccc(OC)c(NC(=O)ON=C2CCCCC2)c1 ZINC000004583124 566911045 /nfs/dbraw/zinc/91/10/45/566911045.db2.gz KDJMCJXJDUPASU-UHFFFAOYSA-N 0 0 292.335 3.572 50 30 CHEARN Cc1ccc(O)c(/N=C/C=N/c2cc(C)ccc2O)c1 ZINC000003091528 566913361 /nfs/dbraw/zinc/91/33/61/566913361.db2.gz OCAJUDPANDEMCR-ZEELXFFVSA-N 0 0 268.316 3.819 50 30 CHEARN O=C1c2cc(Cl)ccc2O/C1=C/c1ccccc1O ZINC000043761378 566916165 /nfs/dbraw/zinc/91/61/65/566916165.db2.gz XJSZEMLMIBPIQA-VGOFMYFVSA-N 0 0 272.687 3.662 50 30 CHEARN CC(=CC(=O)c1ccccc1[N+](=O)[O-])Nc1ccccc1 ZINC000043761136 566917740 /nfs/dbraw/zinc/91/77/40/566917740.db2.gz FRGYVISPVGUDQU-VAWYXSNFSA-N 0 0 282.299 3.793 50 30 CHEARN CC(C)[C@H](Sc1ccccc1)C1=C(O)CCC1=O ZINC000101082243 566918914 /nfs/dbraw/zinc/91/89/14/566918914.db2.gz FUVVVDMGLGEIHU-HNNXBMFYSA-N 0 0 262.374 3.978 50 30 CHEARN Cc1cn(-c2ccccc2)nc1NCc1cccc(C#N)c1 ZINC000150941715 566928784 /nfs/dbraw/zinc/92/87/84/566928784.db2.gz YIHKPUNXNGVHBI-UHFFFAOYSA-N 0 0 288.354 3.665 50 30 CHEARN C=CCSc1ccccc1NC(=O)c1cccc(C)n1 ZINC000025224710 566931873 /nfs/dbraw/zinc/93/18/73/566931873.db2.gz LMJPWJXDPROOCV-UHFFFAOYSA-N 0 0 284.384 3.920 50 30 CHEARN C=CCNC(=O)/C=C/c1ccc(-c2ccccc2F)s1 ZINC000029652895 566955047 /nfs/dbraw/zinc/95/50/47/566955047.db2.gz CPSXGCFDDQECGO-CSKARUKUSA-N 0 0 287.359 3.870 50 30 CHEARN N#Cc1nc2ccccc2n1-c1ccc(Cl)cc1 ZINC000075279616 566956729 /nfs/dbraw/zinc/95/67/29/566956729.db2.gz ZGRGAVDNJNCGIJ-UHFFFAOYSA-N 0 0 253.692 3.551 50 30 CHEARN CCc1nc(CON=C(C)c2sc(C)nc2C)cs1 ZINC000252510567 566960130 /nfs/dbraw/zinc/96/01/30/566960130.db2.gz ADGSBNXSTGLWHV-UHFFFAOYSA-N 0 0 295.433 3.720 50 30 CHEARN Cc1ncc(NC(=O)[C@@H](C)Oc2ccccc2)s1 ZINC000330031821 566960542 /nfs/dbraw/zinc/96/05/42/566960542.db2.gz DTLKWLAVINJUEB-SECBINFHSA-N 0 0 262.334 3.507 50 30 CHEARN COc1ccc([N+](=O)[O-])c(C=Nc2ccc(C)cc2)c1 ZINC000242543272 566968342 /nfs/dbraw/zinc/96/83/42/566968342.db2.gz JUVICXAFTJVTMX-UHFFFAOYSA-N 0 0 270.288 3.662 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccccc2)c(OC)c1 ZINC000004025759 566975360 /nfs/dbraw/zinc/97/53/60/566975360.db2.gz ZRDCNUALRUCCPA-DHZHZOJOSA-N 0 0 268.312 3.600 50 30 biogenic CHEARN COc1cccc2c1ncc(C#N)c2Nc1ccccc1 ZINC000064438726 566976639 /nfs/dbraw/zinc/97/66/39/566976639.db2.gz NVXHCBKUCDLHNW-UHFFFAOYSA-N 0 0 275.311 3.859 50 30 CHEARN CC(C)c1ccoc1C(=O)N(CCC#N)C(C)(C)C ZINC000252479001 567058099 /nfs/dbraw/zinc/05/80/99/567058099.db2.gz AZDUWFGXRHEMFR-UHFFFAOYSA-N 0 0 262.353 3.557 50 30 CHEARN C=CCOc1ccc(-c2noc(C=C(C)C)n2)cc1OC ZINC000037553327 567067452 /nfs/dbraw/zinc/06/74/52/567067452.db2.gz QJOANKHYNNFUNU-UHFFFAOYSA-N 0 0 286.331 3.733 50 30 CHEARN CC(=O)c1ccc(NN=C2Sc3ccccc3C2=O)cc1 ZINC000252615427 567067681 /nfs/dbraw/zinc/06/76/81/567067681.db2.gz JSDARVVHMOKMIE-UHFFFAOYSA-N 0 0 296.351 3.603 50 30 CHEARN Cn1c2ccccc2n(N=Cc2ccccc2)c1=S ZINC000252617971 567067801 /nfs/dbraw/zinc/06/78/01/567067801.db2.gz LCVQUCFXDYKUMQ-UHFFFAOYSA-N 0 0 267.357 3.591 50 30 CHEARN Cc1ccc(C(=O)Nc2cccc(C#N)c2)c(Cl)c1 ZINC000000458151 567103927 /nfs/dbraw/zinc/10/39/27/567103927.db2.gz QYKVTEXAZGMGCV-UHFFFAOYSA-N 0 0 270.719 3.772 50 30 CHEARN N#Cc1nc(-c2ccccc2F)oc1N1CCCCCC1 ZINC000000468051 567104232 /nfs/dbraw/zinc/10/42/32/567104232.db2.gz TWRFGNCGEMMUHU-UHFFFAOYSA-N 0 0 285.322 3.733 50 30 CHEARN N#Cc1c(N)c(C#N)c(-c2ccc(F)cc2)c2c1CCCC2 ZINC000000523455 567107065 /nfs/dbraw/zinc/10/70/65/567107065.db2.gz JMXNXQFNJUJUAW-UHFFFAOYSA-N 0 0 291.329 3.697 50 30 CHEARN CC[C@H](C)Oc1ccc(C(=O)Nc2ccccc2C#N)cc1 ZINC000010288015 567113227 /nfs/dbraw/zinc/11/32/27/567113227.db2.gz SAZUOYHLVYXULN-ZDUSSCGKSA-N 0 0 294.354 3.988 50 30 CHEARN N#Cc1ccccc1OC(=O)c1cccc(-n2cccc2)c1 ZINC000013095921 567116308 /nfs/dbraw/zinc/11/63/08/567116308.db2.gz GNHPEUBBXUKDGJ-UHFFFAOYSA-N 0 0 288.306 3.568 50 30 CHEARN C[C@@H]1C[C@H](C)CN(c2oc(-c3ccccc3F)nc2C#N)C1 ZINC000013138839 567116812 /nfs/dbraw/zinc/11/68/12/567116812.db2.gz LOVLULPFVJNBSO-TXEJJXNPSA-N 0 0 299.349 3.835 50 30 CHEARN CCOc1ccc(CC(=O)Nc2cccc3[nH]ccc32)nc1 ZINC000328594337 567119800 /nfs/dbraw/zinc/11/98/00/567119800.db2.gz CTXJHSCCCJUVOM-UHFFFAOYSA-N 0 0 295.342 3.792 50 30 CHEARN CSc1nc(NC(C)(C)C)c(C#N)c(-c2ccccc2)n1 ZINC000019820800 567123815 /nfs/dbraw/zinc/12/38/15/567123815.db2.gz UHQUIDKYXRKKST-UHFFFAOYSA-N 0 0 298.415 3.948 50 30 CHEARN N#Cc1cccc(C(=O)CCc2ccc(F)cc2)c1 ZINC000002517375 567129465 /nfs/dbraw/zinc/12/94/65/567129465.db2.gz GPYRNYXYTMJDBI-UHFFFAOYSA-N 0 0 253.276 3.513 50 30 CHEARN CCN(C(=O)c1ccc(CC#N)cc1)c1ccccc1C ZINC000095442620 567134707 /nfs/dbraw/zinc/13/47/07/567134707.db2.gz PHHDKZDLRBYMNQ-UHFFFAOYSA-N 0 0 278.355 3.728 50 30 CHEARN Cc1ccc(NC(=O)ON=C(Cl)C(C)C)cc1 ZINC000095678053 567136753 /nfs/dbraw/zinc/13/67/53/567136753.db2.gz WZRLBBCCFXBRDY-PTNGSMBKSA-N 0 0 254.717 3.752 50 30 CHEARN COc1ccccc1/C=C/C=C\C(=O)c1cccnc1 ZINC000096102348 567138606 /nfs/dbraw/zinc/13/86/06/567138606.db2.gz HJXRBRYSAKMACM-ZAQQWGAGSA-N 0 0 265.312 3.543 50 30 CHEARN Cc1cccc(C)c1NC(=O)/C=C\c1ccccc1C#N ZINC000096400611 567141236 /nfs/dbraw/zinc/14/12/36/567141236.db2.gz VNDHKMQWCSCRLS-KHPPLWFESA-N 0 0 276.339 3.827 50 30 CHEARN COc1cccc(C(=O)/C=C\c2ccc(F)c(F)c2)c1 ZINC000096399847 567141306 /nfs/dbraw/zinc/14/13/06/567141306.db2.gz PKRSSOUXYQGFTG-VURMDHGXSA-N 0 0 274.266 3.870 50 30 CHEARN CCOc1cc(-c2cccs2)[o+]c2ccc(Cl)cc12 ZINC000334157829 567142665 /nfs/dbraw/zinc/14/26/65/567142665.db2.gz ABKZIDOOHZAHSK-CCEZHUSRSA-N 0 0 291.779 3.776 50 30 CHEARN Cc1c(-c2ccc(C#N)cc2)oc2ccccc2c1=O ZINC000002657899 567151242 /nfs/dbraw/zinc/15/12/42/567151242.db2.gz WHNAEROJXWYKEO-UHFFFAOYSA-N 0 0 261.280 3.640 50 30 CHEARN CCCCOc1c(Cl)cc(C#N)cc1OCC ZINC000002764624 567152579 /nfs/dbraw/zinc/15/25/79/567152579.db2.gz STWZMSUVYFITMJ-UHFFFAOYSA-N 0 0 253.729 3.789 50 30 CHEARN C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccccc1Cl ZINC000003357767 567172363 /nfs/dbraw/zinc/17/23/63/567172363.db2.gz JMGDWPIVCYPXHV-LLVKDONJSA-N 0 0 284.746 3.703 50 30 CHEARN Cc1csc(N=NCc2cccc(Cl)c2)n1 ZINC000003958945 567182945 /nfs/dbraw/zinc/18/29/45/567182945.db2.gz DFVLNPLLRVKHBT-AWNIVKPZSA-N 0 0 251.742 3.551 50 30 CHEARN C=C(C)[C@@H]1Cc2c(C)nn(C(=O)/C=C/c3ccccc3)c2C1 ZINC000004026523 567184886 /nfs/dbraw/zinc/18/48/86/567184886.db2.gz GURCTJFTCBNJBJ-ZNFPLGDCSA-N 0 0 292.382 3.836 50 30 biogenic CHEARN N#Cc1c(F)cccc1NCc1ccccc1N1CCCC1 ZINC000059261498 567189645 /nfs/dbraw/zinc/18/96/45/567189645.db2.gz WTBOIISOICUFTO-UHFFFAOYSA-N 0 0 295.361 3.910 50 30 CHEARN CC(C)N(CCC#N)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000069417890 567200030 /nfs/dbraw/zinc/20/00/30/567200030.db2.gz BIENZNRAVFKPKL-UHFFFAOYSA-N 0 0 290.750 3.850 50 30 CHEARN Oc1ccc(NC(=S)Nc2ccc(F)cc2)cc1 ZINC000000046168 567816912 /nfs/dbraw/zinc/81/69/12/567816912.db2.gz IRTGKTQKAKFVCV-UHFFFAOYSA-N 0 0 262.309 3.561 50 30 CHEARN C/C(=N\OC(=O)c1ccccc1F)c1ccc(F)c(F)c1 ZINC000000092237 567818062 /nfs/dbraw/zinc/81/80/62/567818062.db2.gz WQWOYYXUSGENEQ-DJKKODMXSA-N 0 0 293.244 3.685 50 30 CHEARN C/C(=N\OC(=O)c1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000000092241 567818136 /nfs/dbraw/zinc/81/81/36/567818136.db2.gz ZRAKLBKOTWFWNG-YBFXNURJSA-N 0 0 289.281 3.854 50 30 CHEARN CCOC(=O)c1ccc(/N=C/c2ccc(C)s2)cc1 ZINC000000095770 567818137 /nfs/dbraw/zinc/81/81/37/567818137.db2.gz RBXZXNLEQMNXRH-MHWRWJLKSA-N 0 0 273.357 3.984 50 30 CHEARN COc1ccc2c(c1)CC/C(=C\c1ccc(C)o1)C2=O ZINC000000102816 567818161 /nfs/dbraw/zinc/81/81/61/567818161.db2.gz SEBOABRDHUPRTF-JLHYYAGUSA-N 0 0 268.312 3.809 50 30 CHEARN CC1(C)CN=C(Nc2ccc(F)c(Cl)c2)S1 ZINC000000135021 567819566 /nfs/dbraw/zinc/81/95/66/567819566.db2.gz IAYUATXCCKOIKM-UHFFFAOYSA-N 0 0 258.749 3.582 50 30 CHEARN CCOC(=O)c1sc(-c2ccccc2)c(C#N)c1C ZINC000000208486 567822147 /nfs/dbraw/zinc/82/21/47/567822147.db2.gz GGOSRWANOFIBSB-UHFFFAOYSA-N 0 0 271.341 3.772 50 30 CHEARN CC1(C)Cc2ccccc2C(=CC(=O)c2ccccc2)N1 ZINC000000276361 567823660 /nfs/dbraw/zinc/82/36/60/567823660.db2.gz LBLRJWQHBBIIPU-ATVHPVEESA-N 0 0 277.367 3.835 50 30 CHEARN CCOc1ccccc1/C=N/c1ccc(NC(C)=O)cc1 ZINC000000298241 567824232 /nfs/dbraw/zinc/82/42/32/567824232.db2.gz KYOKAZOTISAVJW-LDADJPATSA-N 0 0 282.343 3.794 50 30 CHEARN CCOC(=O)[C@@H](C#N)C1(c2ccsc2)CCCCC1 ZINC000000385829 567828268 /nfs/dbraw/zinc/82/82/68/567828268.db2.gz QTOUBSUSBUHBDW-CYBMUJFWSA-N 0 0 277.389 3.653 50 30 CHEARN CC(=O)Nc1ccc(NC=CC(=O)c2ccc(C)cc2)cc1 ZINC000000449543 567830515 /nfs/dbraw/zinc/83/05/15/567830515.db2.gz KYSRSBYTZCANCR-VAWYXSNFSA-N 0 0 294.354 3.762 50 30 CHEARN Cc1ccc([C@@]2(CC#N)CCO[C@H](C(C)C)C2)cc1 ZINC000000477146 567832373 /nfs/dbraw/zinc/83/23/73/567832373.db2.gz ZVDWJYFFCODMKL-IRXDYDNUSA-N 0 0 257.377 3.982 50 30 CHEARN COc1ccc(-c2cc(CC#N)n(-c3ccccc3)n2)cc1 ZINC000000481590 567832729 /nfs/dbraw/zinc/83/27/29/567832729.db2.gz MVVYRZMYLBVBOU-UHFFFAOYSA-N 0 0 289.338 3.614 50 30 CHEARN COc1ccc(Cl)cc1NC(=S)NC1CCCC1 ZINC000000612840 567834319 /nfs/dbraw/zinc/83/43/19/567834319.db2.gz CTROEHUSTJNDRF-UHFFFAOYSA-N 0 0 284.812 3.989 50 30 CHEARN O=C1c2ccccc2OC/C1=C\c1ccccc1Cl ZINC000001630133 567839649 /nfs/dbraw/zinc/83/96/49/567839649.db2.gz HYXCHJLRQNCZCW-FMIVXFBMSA-N 0 0 270.715 3.999 50 30 CHEARN N#CCCC(CCC#N)(CCC#N)C(=O)c1ccccc1 ZINC000001666966 567840595 /nfs/dbraw/zinc/84/05/95/567840595.db2.gz CJSOIFOTLJQHEY-UHFFFAOYSA-N 0 0 279.343 3.767 50 30 CHEARN CN(C)C(=S)S/C=C/C(=O)c1ccc(Cl)cc1 ZINC000002894546 567850100 /nfs/dbraw/zinc/85/01/00/567850100.db2.gz FSEWWBWQYKWIGN-BQYQJAHWSA-N 0 0 285.821 3.616 50 30 CHEARN O=[N+]([O-])c1ccccc1N=NCc1c[nH]c2ccccc12 ZINC000004119153 567855279 /nfs/dbraw/zinc/85/52/79/567855279.db2.gz JZUFKEQJFQIJPR-LICLKQGHSA-N 0 0 280.287 3.522 50 30 CHEARN CC(=O)/C(=C/c1ccc(N(C)C)cc1)C(=O)c1ccccc1 ZINC000004115953 567855356 /nfs/dbraw/zinc/85/53/56/567855356.db2.gz FKIAMBAPWGKHRW-AQTBWJFISA-N 0 0 293.366 3.608 50 30 CHEARN O=C(O/N=C1/CCSc2ccccc21)c1ccccc1 ZINC000004190167 567855973 /nfs/dbraw/zinc/85/59/73/567855973.db2.gz SEOABUFODNEWOK-VKAVYKQESA-N 0 0 283.352 3.744 50 30 CHEARN O=C1C=C(Nc2ccc(C(F)(F)F)cc2)CCC1 ZINC000004235206 567856187 /nfs/dbraw/zinc/85/61/87/567856187.db2.gz KNRVWVGPQLDFBX-UHFFFAOYSA-N 0 0 255.239 3.754 50 30 CHEARN O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000004276765 567856767 /nfs/dbraw/zinc/85/67/67/567856767.db2.gz ZBBRTLSRNUZSTP-JXMROGBWSA-N 0 0 271.247 3.630 50 30 CHEARN COc1ccccc1/N=C/c1cc(Cl)ccc1O ZINC000004670516 567858902 /nfs/dbraw/zinc/85/89/02/567858902.db2.gz CGAOAKHDDQNBGQ-CXUHLZMHSA-N 0 0 261.708 3.805 50 30 CHEARN C[C@@H](C1CC1)N(CCC#N)Cc1ccc2ccccc2n1 ZINC000071914556 567860390 /nfs/dbraw/zinc/86/03/90/567860390.db2.gz GVVKGMHFAUXREJ-AWEZNQCLSA-N 0 0 279.387 3.749 50 30 CHEARN O=C(/C=C\c1ccco1)c1cc(Br)ccc1[O-] ZINC000097447351 567861175 /nfs/dbraw/zinc/86/11/75/567861175.db2.gz FHDMEGWONAAPEK-XQRVVYSFSA-N 0 0 293.116 3.644 50 30 CHEARN Cc1ccccc1OCCNC(=S)Nc1ccccc1 ZINC000013470980 567866373 /nfs/dbraw/zinc/86/63/73/567866373.db2.gz GBPRGJDUEMKMOK-UHFFFAOYSA-N 0 0 286.400 3.772 50 30 CHEARN C=CCCC(=O)N1CCS[C@@H](c2cccs2)CC1 ZINC000219468036 567867767 /nfs/dbraw/zinc/86/77/67/567867767.db2.gz FQHDWTFYVXAGOR-CYBMUJFWSA-N 0 0 281.446 3.721 50 30 CHEARN CN1c2ccccc2S/C1=C\C(=O)COc1ccccc1 ZINC000004486166 567868195 /nfs/dbraw/zinc/86/81/95/567868195.db2.gz PKOPZFGZFOAVGH-BOPFTXTBSA-N 0 0 297.379 3.718 50 30 CHEARN O=[N+]([O-])c1ccc(/C=N/c2nc3c(s2)CCCC3)cc1 ZINC000015776662 567871333 /nfs/dbraw/zinc/87/13/33/567871333.db2.gz ZRRXQPFJHQXYBN-OQLLNIDSSA-N 0 0 287.344 3.681 50 30 CHEARN Cc1nnc(Sc2ccc(C#N)cn2)n1C1CCCCC1 ZINC000032907703 567871909 /nfs/dbraw/zinc/87/19/09/567871909.db2.gz DQDOQCLUQCWOTJ-UHFFFAOYSA-N 0 0 299.403 3.510 50 30 CHEARN Cc1cccc2cc(/C=N/c3ccccc3)c(=O)[nH]c12 ZINC000017195336 567875233 /nfs/dbraw/zinc/87/52/33/567875233.db2.gz CNQVNLSGNFHSCC-WOJGMQOQSA-N 0 0 262.312 3.587 50 30 CHEARN CCOc1cccc(/C=N/c2cc(F)cc(F)c2)c1O ZINC000017701097 567876090 /nfs/dbraw/zinc/87/60/90/567876090.db2.gz SZYLPWXXZSAHJI-GIJQJNRQSA-N 0 0 277.270 3.820 50 30 CHEARN Cc1ccc(C(=O)C=CNc2cccc(O)c2)cc1 ZINC000018140630 567876569 /nfs/dbraw/zinc/87/65/69/567876569.db2.gz SZYURVAAOSLNKK-MDZDMXLPSA-N 0 0 253.301 3.509 50 30 CHEARN Cc1ccc(C)c(Sc2ncccc2C(=O)OCC#N)c1 ZINC000022859480 567881523 /nfs/dbraw/zinc/88/15/23/567881523.db2.gz HOBNLNAOQWRPOQ-UHFFFAOYSA-N 0 0 298.367 3.530 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(C)o2)c(OC)c1 ZINC000023175312 567881560 /nfs/dbraw/zinc/88/15/60/567881560.db2.gz UUBJJIKRXWYVEX-SOFGYWHQSA-N 0 0 272.300 3.501 50 30 CHEARN Cc1ncsc1NC(=O)CCc1ncc(C(C)(C)C)o1 ZINC000328663583 567884399 /nfs/dbraw/zinc/88/43/99/567884399.db2.gz BDTJHBUJBPKNLD-UHFFFAOYSA-N 0 0 293.392 3.958 50 30 CHEARN Cc1ccccc1-c1nc(C#N)c(N2CCCCC2)o1 ZINC000000467705 567885604 /nfs/dbraw/zinc/88/56/04/567885604.db2.gz MZYJROXWANHTFY-UHFFFAOYSA-N 0 0 267.332 3.512 50 30 CHEARN COCCOc1cccc(/C=C/C(=O)c2cccs2)c1 ZINC000059404713 567896298 /nfs/dbraw/zinc/89/62/98/567896298.db2.gz KDYNWWIDOGCYKC-BQYQJAHWSA-N 0 0 288.368 3.669 50 30 CHEARN CC(C)c1cnc(SC[C@@H](C#N)CCC#N)n1C1CC1 ZINC000096417586 567897189 /nfs/dbraw/zinc/89/71/89/567897189.db2.gz RQMXOXGKXIBHIH-GFCCVEGCSA-N 0 0 288.420 3.877 50 30 CHEARN CSc1n[nH]c(-c2cc(C(C)(C)C)oc2C)c1C#N ZINC000004693636 567901816 /nfs/dbraw/zinc/90/18/16/567901816.db2.gz WUSMAEXZLBNERR-UHFFFAOYSA-N 0 0 275.377 3.869 50 30 CHEARN COc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 ZINC000057435314 567904166 /nfs/dbraw/zinc/90/41/66/567904166.db2.gz RHQDHEBZIMWUPN-VMPITWQZSA-N 0 0 274.266 3.870 50 30 CHEARN CCCCCCCN[C@@H](C(=O)OCC)c1ccccc1 ZINC000097973040 567905483 /nfs/dbraw/zinc/90/54/83/567905483.db2.gz GLZBSKBPLZDKSN-MRXNPFEDSA-N 0 0 277.408 3.851 50 30 CHEARN CCCCCCCN[C@H](C(=O)OCC)c1ccccc1 ZINC000097973039 567905601 /nfs/dbraw/zinc/90/56/01/567905601.db2.gz GLZBSKBPLZDKSN-INIZCTEOSA-N 0 0 277.408 3.851 50 30 CHEARN CSc1ccsc1C(=O)N(CCC#N)CC(C)(C)C ZINC000072287817 567908481 /nfs/dbraw/zinc/90/84/81/567908481.db2.gz XWOPDGGAOMJWPZ-UHFFFAOYSA-N 0 0 296.461 3.872 50 30 CHEARN C=CCNC(=O)c1ccccc1Nc1cccc(C)c1C ZINC000011639958 567910512 /nfs/dbraw/zinc/91/05/12/567910512.db2.gz VDKDANXQFBQFAA-UHFFFAOYSA-N 0 0 280.371 3.963 50 30 CHEARN Cc1ccc(NC2=C([N+](=O)[O-])C(=O)c3ccccc32)cc1C ZINC000100349370 567912824 /nfs/dbraw/zinc/91/28/24/567912824.db2.gz KJORWKXWTFODMU-UHFFFAOYSA-N 0 0 294.310 3.557 50 30 CHEARN O/N=C/c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000100891394 567914120 /nfs/dbraw/zinc/91/41/20/567914120.db2.gz XSTRSHVVFZMLFQ-CAOOACKPSA-N 0 0 279.698 3.866 50 30 CHEARN CCCNC1=C(C(=O)CCC)C(=O)C[C@@H](c2ccccc2)C1 ZINC000103115607 567915677 /nfs/dbraw/zinc/91/56/77/567915677.db2.gz IACKPBWPFNMPFE-HNNXBMFYSA-N 0 0 299.414 3.756 50 30 CHEARN Cc1c(Cl)cccc1NN=C(C#N)C(=O)c1ccccc1 ZINC000103743897 567915769 /nfs/dbraw/zinc/91/57/69/567915769.db2.gz DSKBBAKXCXZNDX-HMMYKYKNSA-N 0 0 297.745 3.823 50 30 CHEARN COC(=O)c1cc(C(=O)Nc2cccc3ccccc32)c[nH]1 ZINC000328596011 567923018 /nfs/dbraw/zinc/92/30/18/567923018.db2.gz NHWQMGKUGBFEEX-UHFFFAOYSA-N 0 0 294.310 3.591 50 30 CHEARN COc1cccc(-c2ccc(C)c(C#N)c2)c1OC ZINC000725264199 567923198 /nfs/dbraw/zinc/92/31/98/567923198.db2.gz OTPWAPCAVZBBMX-UHFFFAOYSA-N 0 0 253.301 3.551 50 30 CHEARN CC[C@H](NC(=O)C1(C#N)CCCCC1)c1ccccc1 ZINC000050197529 567925461 /nfs/dbraw/zinc/92/54/61/567925461.db2.gz IUYFEVLYKKJGBA-HNNXBMFYSA-N 0 0 270.376 3.728 50 30 CHEARN N#CC(C#N)[C@@H](CC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000000256472 567925800 /nfs/dbraw/zinc/92/58/00/567925800.db2.gz KMQCNCUIBNCUCT-KRWDZBQOSA-N 0 0 292.313 3.846 50 30 CHEARN Cc1csc(NC(=S)c2ccccc2)c1C#N ZINC000000319624 567926699 /nfs/dbraw/zinc/92/66/99/567926699.db2.gz QZTLXHWQVATOJF-UHFFFAOYSA-N 0 0 258.371 3.716 50 30 CHEARN CCCCCCCC[S@](=O)CCCCC(=O)OCC ZINC000100243315 567926748 /nfs/dbraw/zinc/92/67/48/567926748.db2.gz TYTWHOONJDGMSQ-LJQANCHMSA-N 0 0 290.469 3.829 50 30 CHEARN COc1ccc(/N=C\c2ccc3ncccc3c2)cc1 ZINC000100708257 567928393 /nfs/dbraw/zinc/92/83/93/567928393.db2.gz WQTDKYKBQNRGID-UNOMPAQXSA-N 0 0 262.312 3.994 50 30 CHEARN CC(C)c1cc(N(C)Cc2ccccc2C(C)(C)C#N)n[nH]1 ZINC000135248762 567929781 /nfs/dbraw/zinc/92/97/81/567929781.db2.gz SMOIXBAQIPZUKQ-UHFFFAOYSA-N 0 0 296.418 3.971 50 30 CHEARN O=C(C=CNc1ccc2ccccc2c1)C(F)(F)F ZINC000003196609 567930990 /nfs/dbraw/zinc/93/09/90/567930990.db2.gz VOKZIGVBIWCNEV-BQYQJAHWSA-N 0 0 265.234 3.897 50 30 CHEARN Cc1cccc(-c2nc(C#N)c(NCC(C)C)o2)c1 ZINC000000467572 567931710 /nfs/dbraw/zinc/93/17/10/567931710.db2.gz WNKHIIACTFOPPU-UHFFFAOYSA-N 0 0 255.321 3.590 50 30 CHEARN Cc1ccc(NC(=S)Nc2ccccc2)cc1C#N ZINC000002534578 567932126 /nfs/dbraw/zinc/93/21/26/567932126.db2.gz HQDAWABLGOJSOO-UHFFFAOYSA-N 0 0 267.357 3.676 50 30 CHEARN Cc1ccc(C)c(/N=C/c2cc3ccccc3[nH]c2=O)c1 ZINC000017197322 567935065 /nfs/dbraw/zinc/93/50/65/567935065.db2.gz VHEPREVWMAPBCR-YBFXNURJSA-N 0 0 276.339 3.896 50 30 CHEARN Cc1ccc(/C=N/c2sc3c(c2C#N)CCC3)o1 ZINC000100900889 567939318 /nfs/dbraw/zinc/93/93/18/567939318.db2.gz GNFNGZPSNUXQKP-LZYBPNLTSA-N 0 0 256.330 3.761 50 30 CHEARN O=C1c2ccc(O)cc2O/C1=C\c1c(F)cccc1Cl ZINC000000541808 567942853 /nfs/dbraw/zinc/94/28/53/567942853.db2.gz CYXLDICAQDGQHC-AUWJEWJLSA-N 0 0 290.677 3.801 50 30 CHEARN C[C@H]1C[C@H](C)CN(c2oc(-c3cccs3)nc2C#N)C1 ZINC000000551191 567943071 /nfs/dbraw/zinc/94/30/71/567943071.db2.gz PYGOOUQVAULJMR-QWRGUYRKSA-N 0 0 287.388 3.757 50 30 CHEARN N#Cc1nc(-c2cccc3ccccc32)oc1N1CCCC1 ZINC000000546085 567943089 /nfs/dbraw/zinc/94/30/89/567943089.db2.gz ZTXZRHANKMEEGT-UHFFFAOYSA-N 0 0 289.338 3.967 50 30 CHEARN Cc1sc(NC(=O)N2CCC(C)CC2)c(C#N)c1C ZINC000024563066 567943520 /nfs/dbraw/zinc/94/35/20/567943520.db2.gz FNUJXPOEWDIYKK-UHFFFAOYSA-N 0 0 277.393 3.500 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000051330159 567944909 /nfs/dbraw/zinc/94/49/09/567944909.db2.gz BCWRTYGLRHCOBV-QPJJXVBHSA-N 0 0 289.312 3.561 50 30 CHEARN Cc1ccc(C)c(C(=O)C=CNc2ccccc2C#N)c1 ZINC000044844424 567946017 /nfs/dbraw/zinc/94/60/17/567946017.db2.gz WPAZKVUOUXUQPL-MDZDMXLPSA-N 0 0 276.339 3.984 50 30 CHEARN Cc1ccc(NC=CC(=O)c2ccc3c(c2)OCO3)cc1C ZINC000044842345 567946067 /nfs/dbraw/zinc/94/60/67/567946067.db2.gz BCAFHHXBFXCKRM-BQYQJAHWSA-N 0 0 295.338 3.841 50 30 CHEARN CCc1nc(C)c(C#N)c(SCc2ccccc2C)n1 ZINC000024864099 567947947 /nfs/dbraw/zinc/94/79/47/567947947.db2.gz BNJDHCSWUYEXIF-UHFFFAOYSA-N 0 0 283.400 3.820 50 30 CHEARN C=CCOc1ccccc1[C@H]1CC(=O)Nc2ccsc21 ZINC000012363641 567948606 /nfs/dbraw/zinc/94/86/06/567948606.db2.gz CFZGATXNQRZQMD-GFCCVEGCSA-N 0 0 285.368 3.787 50 30 CHEARN C=CCOc1ccc(C(=O)N[C@H]2CCc3ccccc32)cc1 ZINC000032786775 570222639 /nfs/dbraw/zinc/22/26/39/570222639.db2.gz VWFQDNVYVJGYSW-SFHVURJKSA-N 0 0 293.366 3.669 50 30 CHEARN C=CCN(CC=C)C(=O)Nc1ccc2nc(C)sc2c1 ZINC000000479781 570277799 /nfs/dbraw/zinc/27/77/99/570277799.db2.gz OAKLPCNCHIPBBS-UHFFFAOYSA-N 0 0 287.388 3.811 50 30 CHEARN COCc1cc(C)nc(Nc2cc(C)ccc2C)c1C#N ZINC000000291788 570301853 /nfs/dbraw/zinc/30/18/53/570301853.db2.gz OMBWTRSLVDMIAK-UHFFFAOYSA-N 0 0 281.359 3.769 50 30 CHEARN Cc1ccc(C#N)c(SCc2ccccc2F)n1 ZINC000000293192 570301709 /nfs/dbraw/zinc/30/17/09/570301709.db2.gz RWETXSAOSIDEBJ-UHFFFAOYSA-N 0 0 258.321 3.693 50 30 CHEARN N#CCc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1 ZINC000024978286 570312087 /nfs/dbraw/zinc/31/20/87/570312087.db2.gz ZZCGCNXMVXWZEG-UHFFFAOYSA-N 0 0 294.398 3.763 50 30 CHEARN N#Cc1c(=O)[nH]c(=S)[nH]c1-c1c(Cl)cccc1Cl ZINC000025573370 570325162 /nfs/dbraw/zinc/32/51/62/570325162.db2.gz WOFWNMQWIFEHQD-UHFFFAOYSA-N 0 0 298.154 3.690 50 30 CHEARN COc1ccc(Sc2nc(C)cc(C)c2C#N)cc1 ZINC000012542701 570327370 /nfs/dbraw/zinc/32/73/70/570327370.db2.gz BKUBRYLBCZWANC-UHFFFAOYSA-N 0 0 270.357 3.730 50 30 CHEARN C=CCn1ccnc1-c1nc(-c2ccccc2)cs1 ZINC000065454411 570335876 /nfs/dbraw/zinc/33/58/76/570335876.db2.gz FHULSQICODBWRG-UHFFFAOYSA-N 0 0 267.357 3.860 50 30 CHEARN C=CCNC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000012754185 570336517 /nfs/dbraw/zinc/33/65/17/570336517.db2.gz RSLUNRWQJKDGEN-STQMWFEESA-N 0 0 298.411 3.648 50 30 CHEARN Cc1ccc(SCC#CCOC(=O)c2ccco2)cc1 ZINC000013857674 570340632 /nfs/dbraw/zinc/34/06/32/570340632.db2.gz DHLLUZFTBHLPEB-UHFFFAOYSA-N 0 0 286.352 3.541 50 30 CHEARN Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cccc(O)c1 ZINC000063875037 570349793 /nfs/dbraw/zinc/34/97/93/570349793.db2.gz QWBHATRCYGGJLV-CMDGGOBGSA-N 0 0 284.359 3.683 50 30 CHEARN O=C1CCCC/C1=C\c1ccc(Br)cc1 ZINC000001855920 570355351 /nfs/dbraw/zinc/35/53/51/570355351.db2.gz YUBREKBGODHJOS-PKNBQFBNSA-N 0 0 265.150 3.976 50 30 CHEARN C#CCCCCNC(=O)Nc1cc(-c2ncco2)ccc1C ZINC000089335727 570356267 /nfs/dbraw/zinc/35/62/67/570356267.db2.gz ZLMSUEIZWKYJFM-UHFFFAOYSA-N 0 0 297.358 3.575 50 30 CHEARN N#Cc1nc(-c2ccccc2)oc1N1CCCCCC1 ZINC000016742343 570367470 /nfs/dbraw/zinc/36/74/70/570367470.db2.gz FPVDNLDSBBSECX-UHFFFAOYSA-N 0 0 267.332 3.594 50 30 CHEARN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(Cl)cc1 ZINC000000091506 570382447 /nfs/dbraw/zinc/38/24/47/570382447.db2.gz IUHJZGGSXVWJMS-UVTDQMKNSA-N 0 0 283.714 3.685 50 30 CHEARN Cc1cc(C)c(C#N)c(Nc2cccc(Cl)c2)n1 ZINC000000198386 570387182 /nfs/dbraw/zinc/38/71/82/570387182.db2.gz FZDCLHNDWSJPSN-UHFFFAOYSA-N 0 0 257.724 3.967 50 30 CHEARN N#Cc1cnc(Nc2ccc(F)c(F)c2)c(Cl)c1 ZINC000057218409 570388158 /nfs/dbraw/zinc/38/81/58/570388158.db2.gz PXJCFORPLGOVNK-UHFFFAOYSA-N 0 0 265.650 3.628 50 30 CHEARN Cc1sc(NC(=O)/C=C/c2cccs2)c(C#N)c1C ZINC000000484009 570388844 /nfs/dbraw/zinc/38/88/44/570388844.db2.gz SPWKTHJTULXIPQ-AATRIKPKSA-N 0 0 288.397 3.950 50 30 CHEARN Cc1cc(C)c(C#N)c(SCCc2ccccc2)n1 ZINC000000111620 1120126738 /nfs/dbraw/zinc/12/67/38/1120126738.db2.gz HSLICTDAXZVBIA-UHFFFAOYSA-N 0 0 268.385 3.905 50 30 CHEARN C[C@@H]1CCC[C@H](C)N1N=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000885838251 1125624850 /nfs/dbraw/zinc/62/48/50/1125624850.db2.gz AGDMTVLVWTVRJX-ZTGWKLMJSA-N 0 0 287.363 3.857 50 30 CHEARN CC(=O)Nc1ccc(C(C)=NOCc2ccc(C)cc2)cc1 ZINC000254315964 1127073761 /nfs/dbraw/zinc/07/37/61/1127073761.db2.gz FKJDFXIJELZJKY-UHFFFAOYSA-N 0 0 296.370 3.894 50 30 CHEARN Oc1cccc2c1CCC2=NN=c1[nH]c2ccccc2s1 ZINC000254401649 1127092413 /nfs/dbraw/zinc/09/24/13/1127092413.db2.gz WSKFWXOMLHYARF-UHFFFAOYSA-N 0 0 295.367 3.764 50 30 CHEARN Cc1csc(=NC(C)C)n1N=C[C@H](C)c1ccccc1 ZINC000254559073 1127113929 /nfs/dbraw/zinc/11/39/29/1127113929.db2.gz VHWALAWRLUPVJM-ZDUSSCGKSA-N 0 0 287.432 3.805 50 30 CHEARN C[C@H](NC(=O)/C=C/c1ccccc1C#N)c1cccs1 ZINC000012598712 1127902169 /nfs/dbraw/zinc/90/21/69/1127902169.db2.gz VMDQLMNUNPLGCP-BCPZQOPPSA-N 0 0 282.368 3.510 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2c(C)nc3sccn23)o1 ZINC000012629940 1127906212 /nfs/dbraw/zinc/90/62/12/1127906212.db2.gz XHADQSOFEHVKCQ-SNAWJCMRSA-N 0 0 272.329 3.502 50 30 CHEARN COc1ccc(/C=C\C(=O)c2cccs2)c(OC)c1 ZINC000033409436 1128521800 /nfs/dbraw/zinc/52/18/00/1128521800.db2.gz FSCVMQMQVJOKED-VURMDHGXSA-N 0 0 274.341 3.661 50 30 CHEARN COc1cccc(/C=C\C(=O)c2cc(OC)ccc2OC)c1 ZINC000033472241 1128533404 /nfs/dbraw/zinc/53/34/04/1128533404.db2.gz CCGBATDXWBHWKZ-CLFYSBASSA-N 0 0 298.338 3.609 50 30 CHEARN CC(=NOC(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000022205504 1118357249 /nfs/dbraw/zinc/35/72/49/1118357249.db2.gz DHEFCNDMOIOJBP-GZTJUZNOSA-N 0 0 299.286 3.568 50 30 CHEARN C#CCN(Cc1ccco1)C(=O)c1ccc(C(C)C)cc1 ZINC000060183005 1118737246 /nfs/dbraw/zinc/73/72/46/1118737246.db2.gz WJBMOLUWQNKYNI-UHFFFAOYSA-N 0 0 281.355 3.679 50 30 CHEARN Cc1ccc(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000000118193 1120127070 /nfs/dbraw/zinc/12/70/70/1120127070.db2.gz QOWIPZWEXCPCKF-UHFFFAOYSA-N 0 0 256.374 3.906 50 30 CHEARN CCOc1ccc2c(c1)C(=O)C(=CN[C@H](C)CC)S2 ZINC000103067432 1120244241 /nfs/dbraw/zinc/24/42/41/1120244241.db2.gz KZMZHDUGFYSQEY-AHEVQNHNSA-N 0 0 277.389 3.603 50 30 CHEARN N#Cc1c(=S)[nH]c2c(c1-c1cccs1)CCCC2 ZINC000004006102 1120289383 /nfs/dbraw/zinc/28/93/83/1120289383.db2.gz LOUSEPGPKODDTK-JTQLQIEISA-N 0 0 272.398 3.997 50 30 CHEARN C[C@@H](c1cccs1)N(C)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000053314689 1120458154 /nfs/dbraw/zinc/45/81/54/1120458154.db2.gz FTJGTAJOGUPTPG-XPSMFNQNSA-N 0 0 296.395 3.853 50 30 CHEARN Cn1ccc2cc(NC(=O)c3ccnc(N=[N+]=[N-])c3)ccc21 ZINC000108514592 1120752404 /nfs/dbraw/zinc/75/24/04/1120752404.db2.gz ZITRLKWLBKOLFW-UHFFFAOYSA-N 0 0 292.302 3.767 50 30 CHEARN CC(=NN=c1sc2ccccc2n1C)c1ccc(F)cc1 ZINC000606347152 1121665043 /nfs/dbraw/zinc/66/50/43/1121665043.db2.gz IHZABAAYLRGBNM-UHFFFAOYSA-N 0 0 299.374 3.704 50 30 CHEARN Cc1c(-c2ccc(Cl)cc2)nnn1CC1(CC#N)CC1 ZINC000596275477 1123785912 /nfs/dbraw/zinc/78/59/12/1123785912.db2.gz RPXLNHZQCMPLMZ-UHFFFAOYSA-N 0 0 286.766 3.601 50 30 CHEARN COc1cc(C#N)ccc1OC(=O)C[C@H](C)c1ccccc1 ZINC000015988261 1124015667 /nfs/dbraw/zinc/01/56/67/1124015667.db2.gz MGNFYSIMPJYRRV-ZDUSSCGKSA-N 0 0 295.338 3.666 50 30 CHEARN Cc1ccc(C(=O)/C=C\c2cccc3nccnc23)cc1 ZINC000098008859 1129638392 /nfs/dbraw/zinc/63/83/92/1129638392.db2.gz DGPQQFBNCKOGID-KTKRTIGZSA-N 0 0 274.323 3.834 50 30 CHEARN CC(=NN=c1[nH]c2ccccc2s1)c1ccccn1 ZINC000253992313 1129672900 /nfs/dbraw/zinc/67/29/00/1129672900.db2.gz WKVJAFTUYKOSOR-UHFFFAOYSA-N 0 0 268.345 3.527 50 30 CHEARN Cc1ccc(NC(=S)NN=C2C[C@H]3CC=C[C@H]23)c(C)c1 ZINC000254614824 1129702137 /nfs/dbraw/zinc/70/21/37/1129702137.db2.gz AVLRAPXDMAWMOO-OLZOCXBDSA-N 0 0 285.416 3.542 50 30 CHEARN C[C@@H]1CCC[C@H](C)N1N=Cc1cccc(Cl)c1 ZINC000254825808 1129711789 /nfs/dbraw/zinc/71/17/89/1129711789.db2.gz PWCKHGFTIOCEAT-TXEJJXNPSA-N 0 0 250.773 3.937 50 30 CHEARN CCOc1ccc(C=NN2[C@H](C)CCC[C@H]2C)cc1OC ZINC000254877169 1129715835 /nfs/dbraw/zinc/71/58/35/1129715835.db2.gz WCZKXQHIFZVOSB-ZIAGYGMSSA-N 0 0 290.407 3.691 50 30 CHEARN O/N=C(/c1ccccc1)c1ccc(Br)cc1 ZINC000016450756 1129841504 /nfs/dbraw/zinc/84/15/04/1129841504.db2.gz VKYOCAGRKMNDPB-SQFISAMPSA-N 0 0 276.133 3.676 50 30 CHEARN C[C@@]1(C#N)CCCN(C(=O)c2cccc(-c3ccco3)c2)C1 ZINC000217893807 1131072766 /nfs/dbraw/zinc/07/27/66/1131072766.db2.gz DESVYTMWAVGIPB-SFHVURJKSA-N 0 0 294.354 3.712 50 30 CHEARN CC(C)c1nc([C@H](C)Nc2ncccc2C#N)cs1 ZINC000095960922 185043106 /nfs/dbraw/zinc/04/31/06/185043106.db2.gz DMJBANACWVFDKB-JTQLQIEISA-N 0 0 272.377 3.706 50 30 CHEARN C[C@H](NCC#N)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000095984453 185054883 /nfs/dbraw/zinc/05/48/83/185054883.db2.gz VLUURUFJXSEKMG-ZDUSSCGKSA-N 0 0 294.358 3.505 50 30 CHEARN Cn1ccnc1/C=C\C(=O)c1ccc(Cl)c(Cl)c1 ZINC000096035652 185069314 /nfs/dbraw/zinc/06/93/14/185069314.db2.gz OMYJXXSMISAAMI-PLNGDYQASA-N 0 0 281.142 3.623 50 30 CHEARN O=C1c2ccccc2C/C1=C/c1cnn(-c2ccccc2)c1 ZINC000096891324 185125049 /nfs/dbraw/zinc/12/50/49/185125049.db2.gz VMWNRJPENQFAJG-YBEGLDIGSA-N 0 0 286.334 3.695 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(C)cc2OC)cc1O ZINC000096930512 185131867 /nfs/dbraw/zinc/13/18/67/185131867.db2.gz YAQMOFWTMYYFTN-YVMONPNESA-N 0 0 298.338 3.614 50 30 CHEARN Cn1c2ccccc2nc1C(=O)/C=C\c1ccc(Cl)o1 ZINC000096936176 185133044 /nfs/dbraw/zinc/13/30/44/185133044.db2.gz ARHOPXKCHGVVJW-VURMDHGXSA-N 0 0 286.718 3.716 50 30 CHEARN N#Cc1cccc(NCCCOc2ccc(F)cc2)c1 ZINC000096967522 185143310 /nfs/dbraw/zinc/14/33/10/185143310.db2.gz GRDZGNAVRUGQPZ-UHFFFAOYSA-N 0 0 270.307 3.578 50 30 CHEARN CCc1cc(Cl)ccc1NC(=O)N1CCC(C#N)CC1 ZINC000426693935 529528742 /nfs/dbraw/zinc/52/87/42/529528742.db2.gz ZEPVGAYIRISUAU-UHFFFAOYSA-N 0 0 291.782 3.670 50 30 CHEARN CN1c2ccccc2O/C1=C/C=Nc1ccccc1 ZINC000409415905 529833022 /nfs/dbraw/zinc/83/30/22/529833022.db2.gz PKXLNYFVPPQIKL-UKXHJIFTSA-N 0 0 250.301 3.759 50 30 CHEARN C#CCSc1ncc(-c2ccc(Cl)cc2)cn1 ZINC000003133750 260235753 /nfs/dbraw/zinc/23/57/53/260235753.db2.gz ITCQVUUKVAKJIV-UHFFFAOYSA-N 0 0 260.749 3.522 50 30 CHEARN CC(C)[C@H]1C[C@](CC#N)(Cc2ccccc2)CCO1 ZINC000085375937 179044094 /nfs/dbraw/zinc/04/40/94/179044094.db2.gz YGMRGLNLBOWLEJ-SJORKVTESA-N 0 0 257.377 3.964 50 30 CHEARN Cc1ccc(C(=O)C(C#N)=NNc2ccc(Cl)cc2)cc1 ZINC000103743983 185856840 /nfs/dbraw/zinc/85/68/40/185856840.db2.gz ULSSBQDBGBKEKK-HMMYKYKNSA-N 0 0 297.745 3.823 50 30 CHEARN CCn1c2ccc(C#N)cc2nc1-c1cnn(C(C)(C)C)c1 ZINC000089302667 179767477 /nfs/dbraw/zinc/76/74/77/179767477.db2.gz DEHABJGXXZXGDO-UHFFFAOYSA-N 0 0 293.374 3.546 50 30 CHEARN O=C1/C(=C\c2cccnc2)CCC/C1=C/c1cccnc1 ZINC000090646082 180017941 /nfs/dbraw/zinc/01/79/41/180017941.db2.gz LYDLODGAUHPYGN-APGQMXJTSA-N 0 0 276.339 3.697 50 30 CHEARN C[C@H](CC#N)N(C)C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000108347712 186213000 /nfs/dbraw/zinc/21/30/00/186213000.db2.gz UWFCBRYSHBYQKH-MGPQQGTHSA-N 0 0 264.413 3.599 50 30 CHEARN N#Cc1cnc(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000334163835 206122422 /nfs/dbraw/zinc/12/24/22/206122422.db2.gz LHFFCIMYFWNVJG-UHFFFAOYSA-N 0 0 279.126 3.839 50 30 CHEARN Cc1ccc(C)c(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1 ZINC000002644334 169817622 /nfs/dbraw/zinc/81/76/22/169817622.db2.gz VSGIUODVCHCIHY-CQSZACIVSA-N 0 0 279.339 3.825 50 30 CHEARN Cc1ccc(Sc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000000140327 169551246 /nfs/dbraw/zinc/55/12/46/169551246.db2.gz ZFIQZPNJUDGYQK-UHFFFAOYSA-N 0 0 270.313 3.926 50 30 CHEARN COCc1cc(C)nc(Nc2ccc(C)cc2C)c1C#N ZINC000000184213 169567522 /nfs/dbraw/zinc/56/75/22/169567522.db2.gz STMMOTYDISGBFG-UHFFFAOYSA-N 0 0 281.359 3.769 50 30 CHEARN CC1(C)C[C@@H]([C@@H](CC#N)Cc2ccccc2)CCO1 ZINC000000209711 169575361 /nfs/dbraw/zinc/57/53/61/169575361.db2.gz XIDXZWBPVXHTDH-HOTGVXAUSA-N 0 0 257.377 3.964 50 30 CHEARN CC(=O)c1ccc(N=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000000247913 169586339 /nfs/dbraw/zinc/58/63/39/169586339.db2.gz LINXRIWTYORZBC-MHWRWJLKSA-N 0 0 268.272 3.548 50 30 CHEARN CC1(C)CC(=O)C=C(Nc2ccc(Cl)cc2O)C1 ZINC000000290943 169598738 /nfs/dbraw/zinc/59/87/38/169598738.db2.gz UXNVCNSIAJEURG-UHFFFAOYSA-N 0 0 265.740 3.731 50 30 CHEARN CCOC(=O)c1ccccc1NC=CC(=O)c1ccccc1 ZINC000000304667 169603043 /nfs/dbraw/zinc/60/30/43/169603043.db2.gz DCNKJXLPKXNBHR-OUKQBFOZSA-N 0 0 295.338 3.672 50 30 CHEARN Cc1cccc(NN=C(C#N)C(=O)c2ccc(Cl)cc2)c1 ZINC000000353285 169615498 /nfs/dbraw/zinc/61/54/98/169615498.db2.gz ICJOGTPGIBFGSS-HKWRFOASSA-N 0 0 297.745 3.823 50 30 CHEARN Cc1ccc([N+](=O)[O-])cc1NC=CC(=O)c1ccccc1 ZINC000000436520 169640256 /nfs/dbraw/zinc/64/02/56/169640256.db2.gz BZIHITSXWITUND-MDZDMXLPSA-N 0 0 282.299 3.712 50 30 CHEARN Cc1ccc(C=C2C(=O)c3ccccc3C2=O)s1 ZINC000000478868 169651738 /nfs/dbraw/zinc/65/17/38/169651738.db2.gz WRQPXZIGHXVRBA-UHFFFAOYSA-N 0 0 254.310 3.519 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(F)c(F)c2)cc1 ZINC000096399826 256781513 /nfs/dbraw/zinc/78/15/13/256781513.db2.gz GSYZBGLCWYTFPM-WTKPLQERSA-N 0 0 274.266 3.870 50 30 CHEARN CC(=O)c1ccc(N=Cc2ccccc2[N+](=O)[O-])cc1 ZINC000000587380 169673212 /nfs/dbraw/zinc/67/32/12/169673212.db2.gz AGFMMIUSENOBBN-MHWRWJLKSA-N 0 0 268.272 3.548 50 30 CHEARN C#CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001596823 169722004 /nfs/dbraw/zinc/72/20/04/169722004.db2.gz YZNQLDLXHVMJJA-UHFFFAOYSA-N 0 0 277.150 3.863 50 30 CHEARN Fc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F ZINC000001847590 169759610 /nfs/dbraw/zinc/75/96/10/169759610.db2.gz JDCMOHAFGDQQJX-UHFFFAOYSA-N 0 0 272.094 3.953 50 30 CHEARN CCCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000001959629 169765062 /nfs/dbraw/zinc/76/50/62/169765062.db2.gz BTMPUBOIQIKLON-SNVBAGLBSA-N 0 0 276.405 3.873 50 30 CHEARN N#Cc1nc(-c2ccccc2)oc1NCc1ccccc1 ZINC000002461371 169792965 /nfs/dbraw/zinc/79/29/65/169792965.db2.gz DWENCHAKPUPSCT-UHFFFAOYSA-N 0 0 275.311 3.825 50 30 CHEARN CCCCCCCCNC(=O)Cc1ccc(OC)cc1 ZINC000002493711 169795050 /nfs/dbraw/zinc/79/50/50/169795050.db2.gz QEZRPHHOROMCDX-UHFFFAOYSA-N 0 0 277.408 3.714 50 30 CHEARN N#Cc1c2c(c(C(F)(F)F)[nH]c1=S)CCCC2 ZINC000002738246 169823634 /nfs/dbraw/zinc/82/36/34/169823634.db2.gz MAWZDKCTPKZVMI-UHFFFAOYSA-N 0 0 258.268 3.513 50 30 CHEARN CCCCCCCC(=O)Nc1nnc(SCC)s1 ZINC000002753215 169825781 /nfs/dbraw/zinc/82/57/81/169825781.db2.gz FVYSPWYBGJVWEG-UHFFFAOYSA-N 0 0 287.454 3.949 50 30 CHEARN C=CCOc1c(CNc2nccs2)cccc1OCC ZINC000002860818 169837977 /nfs/dbraw/zinc/83/79/77/169837977.db2.gz HATDOIIFKXUCRN-UHFFFAOYSA-N 0 0 290.388 3.719 50 30 CHEARN C#CCOc1c(Cl)c(Cl)nc(Cl)c1Cl ZINC000003091482 169854554 /nfs/dbraw/zinc/85/45/54/169854554.db2.gz DHXWVJSLTBMYFE-UHFFFAOYSA-N 0 0 270.930 3.707 50 30 CHEARN CCc1ccc(Nc2nnc(S[C@H](C)C#N)s2)cc1 ZINC000003386688 169884094 /nfs/dbraw/zinc/88/40/94/169884094.db2.gz MOEGFTSRFHYHME-SECBINFHSA-N 0 0 290.417 3.848 50 30 CHEARN C[C@H](OC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000003447904 169889116 /nfs/dbraw/zinc/88/91/16/169889116.db2.gz QHAKDYNYIMICTQ-NSHDSACASA-N 0 0 269.275 3.615 50 30 CHEARN Cc1ccc(/C=C/C(=O)c2cc3ccccc3oc2=O)cc1 ZINC000003911125 169924490 /nfs/dbraw/zinc/92/44/90/169924490.db2.gz AATSBMDVPMQDEG-ZHACJKMWSA-N 0 0 290.318 3.998 50 30 CHEARN CC(=O)CSc1nc(-c2cccs2)c(C)cc1C#N ZINC000004712001 170003346 /nfs/dbraw/zinc/00/33/46/170003346.db2.gz NIZOFZGRWOJOJJ-UHFFFAOYSA-N 0 0 288.397 3.671 50 30 CHEARN Cc1ccc(C(=O)C=CNc2ccccc2[N+](=O)[O-])cc1 ZINC000004754738 170011864 /nfs/dbraw/zinc/01/18/64/170011864.db2.gz HHTFONJDKXIEEG-KHPPLWFESA-N 0 0 282.299 3.712 50 30 CHEARN N#CCOC(=O)c1c2ccccc2cc2ccccc21 ZINC000004808244 170020609 /nfs/dbraw/zinc/02/06/09/170020609.db2.gz UUTLRKAYZBXSIS-UHFFFAOYSA-N 0 0 261.280 3.673 50 30 CHEARN Cc1ccc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000004832337 170025885 /nfs/dbraw/zinc/02/58/85/170025885.db2.gz BNGHOUOGMJAAFT-CYBMUJFWSA-N 0 0 296.395 3.986 50 30 CHEARN N#Cc1ccc(C(=O)Nc2cccc(Cl)c2)c(F)c1 ZINC000004840738 170027614 /nfs/dbraw/zinc/02/76/14/170027614.db2.gz YUMFRHCPOVMWPJ-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN COc1ccc(/C=C/C(=O)c2cccs2)c(OC)c1 ZINC000004854926 170030973 /nfs/dbraw/zinc/03/09/73/170030973.db2.gz FSCVMQMQVJOKED-SOFGYWHQSA-N 0 0 274.341 3.661 50 30 CHEARN Cc1nc(N=NCc2c[nH]c3ccccc23)sc1C ZINC000004860704 170032235 /nfs/dbraw/zinc/03/22/35/170032235.db2.gz SAULTCZVRXKBCI-PXNMLYILSA-N 0 0 270.361 3.687 50 30 CHEARN CC(=O)c1ccc(NC=CC(=O)c2ccc(F)cc2)cc1 ZINC000005067606 170063597 /nfs/dbraw/zinc/06/35/97/170063597.db2.gz OKNOQXNRQGZWRO-KHPPLWFESA-N 0 0 283.302 3.837 50 30 CHEARN COc1cccc(/C=C/C(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000005129825 170068930 /nfs/dbraw/zinc/06/89/30/170068930.db2.gz VWDSGEBDLACRDW-VQHVLOKHSA-N 0 0 297.310 3.808 50 30 CHEARN CC(=O)N(O)C/C=C/c1cccc(Oc2ccccc2)c1 ZINC000005138195 170070113 /nfs/dbraw/zinc/07/01/13/170070113.db2.gz CEUDWZXMLMKPNN-SOFGYWHQSA-N 0 0 283.327 3.730 50 30 in-vivo CHEARN COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC ZINC000005217239 170077042 /nfs/dbraw/zinc/07/70/42/170077042.db2.gz CVKZUSHLSUSKTM-UXBLZVDNSA-N 0 0 282.339 3.908 50 30 CHEARN C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]21C ZINC000005275870 170082128 /nfs/dbraw/zinc/08/21/28/170082128.db2.gz BFPYWIDHMRZLRN-OBKDMQGPSA-N 0 0 296.410 3.613 50 30 CHEARN COc1ccc(/N=C/c2cc(Cl)ccc2O)cc1 ZINC000005286750 170083161 /nfs/dbraw/zinc/08/31/61/170083161.db2.gz FYGRJBYYFWNZLL-CXUHLZMHSA-N 0 0 261.708 3.805 50 30 CHEARN C[C@H](C#N)OC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000005303453 170084474 /nfs/dbraw/zinc/08/44/74/170084474.db2.gz BVRMAIJGFCIBCJ-SNVBAGLBSA-N 0 0 283.352 3.583 50 30 CHEARN CCC1CCC(=NNC(=S)NCc2ccccc2)CC1 ZINC000005444697 170099975 /nfs/dbraw/zinc/09/99/75/170099975.db2.gz KLSYSYUFGDBYBH-UHFFFAOYSA-N 0 0 289.448 3.607 50 30 CHEARN C=CCSc1nc2ccsc2c(N2CCCC2)n1 ZINC000005480647 170103531 /nfs/dbraw/zinc/10/35/31/170103531.db2.gz QLZGYLCWGUHVSW-UHFFFAOYSA-N 0 0 277.418 3.570 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc1 ZINC000005569673 170114768 /nfs/dbraw/zinc/11/47/68/170114768.db2.gz IUDSCELTEHFRGO-AWNIVKPZSA-N 0 0 281.355 3.657 50 30 CHEARN COc1ccc(/N=C/c2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000005818540 170143570 /nfs/dbraw/zinc/14/35/70/170143570.db2.gz QAFREUOCMQWSSU-YBFXNURJSA-N 0 0 292.338 3.596 50 30 CHEARN C=CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1 ZINC000005830789 170145031 /nfs/dbraw/zinc/14/50/31/170145031.db2.gz RZZVPEIVTXGLHA-UHFFFAOYSA-N 0 0 285.387 3.872 50 30 CHEARN C=CCn1c(=S)[nH]nc1-c1ccc(OCCCC)cc1 ZINC000005868129 170148656 /nfs/dbraw/zinc/14/86/56/170148656.db2.gz ILTFSMASIBWVMF-UHFFFAOYSA-N 0 0 289.404 3.973 50 30 CHEARN COc1ccc(/C=C/C(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000006002476 170167234 /nfs/dbraw/zinc/16/72/34/170167234.db2.gz WUXJXFIZNJPAMA-RMKNXTFCSA-N 0 0 298.338 3.609 50 30 CHEARN CCOC(=O)Nc1sc2c(c1C#N)CC[C@H](CC)C2 ZINC000006122112 170177851 /nfs/dbraw/zinc/17/78/51/170177851.db2.gz GVGLAYVULFYXDL-VIFPVBQESA-N 0 0 278.377 3.703 50 30 CHEARN CCn1nccc1C(=O)/C=C\c1c(F)cccc1Cl ZINC000006634700 170220467 /nfs/dbraw/zinc/22/04/67/170220467.db2.gz KBZUDNJKUXELMA-SREVYHEPSA-N 0 0 278.714 3.592 50 30 CHEARN CCn1cc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cn1 ZINC000006637013 170221040 /nfs/dbraw/zinc/22/10/40/170221040.db2.gz CLXCPEIFTXANEL-ONEGZZNKSA-N 0 0 284.403 3.702 50 30 CHEARN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C#N ZINC000006702746 170230355 /nfs/dbraw/zinc/23/03/55/170230355.db2.gz MWRJNSFVUNSSAO-QGZVFWFLSA-N 0 0 294.354 3.663 50 30 CHEARN C#CCOc1ccc(C(=O)Nc2ccccc2CC)cc1 ZINC000006747048 170239469 /nfs/dbraw/zinc/23/94/69/170239469.db2.gz KCAOELJDJLUVPF-UHFFFAOYSA-N 0 0 279.339 3.513 50 30 CHEARN Cc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 ZINC000006789117 170244132 /nfs/dbraw/zinc/24/41/32/170244132.db2.gz PCONLMYHNZJABA-FNORWQNLSA-N 0 0 280.323 3.662 50 30 CHEARN N#CCSc1nc2ccccc2c(-c2ccccc2)n1 ZINC000006829693 170247398 /nfs/dbraw/zinc/24/73/98/170247398.db2.gz GPQIGMFBEMJOIR-UHFFFAOYSA-N 0 0 277.352 3.912 50 30 CHEARN CC(C)CNc1oc(/C=C/c2cccs2)nc1C#N ZINC000006883684 170252727 /nfs/dbraw/zinc/25/27/27/170252727.db2.gz QYGNWKUXRIYDEV-AATRIKPKSA-N 0 0 273.361 3.846 50 30 CHEARN Cc1cccc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)c1C ZINC000007042177 170263793 /nfs/dbraw/zinc/26/37/93/170263793.db2.gz ZSHZVPHBBINSCR-CQSZACIVSA-N 0 0 293.370 3.614 50 30 CHEARN Cn1c2ccccc2nc1SCc1ccc(C#N)cc1 ZINC000007343479 170278014 /nfs/dbraw/zinc/27/80/14/170278014.db2.gz OPHMNNWKOOQGDU-UHFFFAOYSA-N 0 0 279.368 3.737 50 30 CHEARN c1csc(CN=Nc2nc(-c3ccccc3)cs2)c1 ZINC000007349922 170278992 /nfs/dbraw/zinc/27/89/92/170278992.db2.gz RUEBODAYVGBGIW-OQLLNIDSSA-N 0 0 285.397 3.740 50 30 CHEARN COc1cccc(/C=C/C(=O)c2cccc(NC(C)=O)c2)c1 ZINC000007743985 170300132 /nfs/dbraw/zinc/30/01/32/170300132.db2.gz ZUNIDAVXPSTLHZ-MDZDMXLPSA-N 0 0 295.338 3.550 50 30 CHEARN CN(Cc1ccc(Cl)s1)C(=O)c1ccc(C#N)cc1 ZINC000007979699 170311450 /nfs/dbraw/zinc/31/14/50/170311450.db2.gz QEHDBJRXKAILTD-UHFFFAOYSA-N 0 0 290.775 3.545 50 30 CHEARN CCc1ccc(CCC(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000008126791 170320105 /nfs/dbraw/zinc/32/01/05/170320105.db2.gz JYASWSHOWFVCJY-UHFFFAOYSA-N 0 0 292.382 3.886 50 30 CHEARN CNc1ccccc(C(=O)/C=C/c2cccc(Cl)c2)c1=O ZINC000008397840 170334876 /nfs/dbraw/zinc/33/48/76/170334876.db2.gz VARPDNRZSSZRJQ-MDZDMXLPSA-N 0 0 299.757 3.638 50 30 CHEARN CNC(=S)NCCC(c1ccccc1)c1ccccc1 ZINC000008683645 170345559 /nfs/dbraw/zinc/34/55/59/170345559.db2.gz CBKCHNQBRGLBHJ-UHFFFAOYSA-N 0 0 284.428 3.714 50 30 CHEARN O=C(Nc1ccccn1)c1ccc(C#Cc2ccccc2)cc1 ZINC000008718852 170349412 /nfs/dbraw/zinc/34/94/12/170349412.db2.gz VJUZHGBQFUSCJK-UHFFFAOYSA-N 0 0 298.345 3.734 50 30 CHEARN C=CCOc1ccccc1NC(=O)c1ccccc1F ZINC000009815812 170385987 /nfs/dbraw/zinc/38/59/87/170385987.db2.gz KQWXXCKPFLMAKW-UHFFFAOYSA-N 0 0 271.291 3.643 50 30 CHEARN C=C(C)COc1ccccc1C(=O)NC1CCCCC1 ZINC000009877618 170388565 /nfs/dbraw/zinc/38/85/65/170388565.db2.gz CRVNVYPTNLMDMT-UHFFFAOYSA-N 0 0 273.376 3.704 50 30 CHEARN N#Cc1ccc(NC(=O)Cc2cccc(F)c2)cc1Cl ZINC000012996990 170526920 /nfs/dbraw/zinc/52/69/20/170526920.db2.gz CABUEPIWWQFFNW-UHFFFAOYSA-N 0 0 288.709 3.532 50 30 CHEARN C[C@@H](Sc1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000015316341 170663304 /nfs/dbraw/zinc/66/33/04/170663304.db2.gz LYXSWDHPWNKCPF-GFCCVEGCSA-N 0 0 282.368 3.678 50 30 CHEARN N#Cc1cccc(NCc2c(F)cccc2Cl)c1 ZINC000019922330 170929229 /nfs/dbraw/zinc/92/92/29/170929229.db2.gz BSOGOTNFFJDPIO-UHFFFAOYSA-N 0 0 260.699 3.963 50 30 CHEARN CNc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N ZINC000020385930 171176027 /nfs/dbraw/zinc/17/60/27/171176027.db2.gz IQSUMGYMCFDAJM-UHFFFAOYSA-N 0 0 277.249 3.681 50 30 CHEARN CCc1nn(-c2ccccc2)c(-n2c(C)ccc2C)c1C#N ZINC000021163604 171298803 /nfs/dbraw/zinc/29/88/03/171298803.db2.gz DRIXWGLPMNBSGD-UHFFFAOYSA-N 0 0 290.370 3.714 50 30 CHEARN Cc1sc(NC(=O)c2ccc(F)c(F)c2)c(C#N)c1C ZINC000023294583 171419117 /nfs/dbraw/zinc/41/91/17/171419117.db2.gz VDEGOLOMPFJYRX-UHFFFAOYSA-N 0 0 292.310 3.767 50 30 CHEARN O=C1/C(=C\c2cccc(Cl)c2Cl)N2CCC1CC2 ZINC000032540523 171732549 /nfs/dbraw/zinc/73/25/49/171732549.db2.gz FDHVPIOJIPGSCQ-XYOKQWHBSA-N 0 0 282.170 3.629 50 30 CHEARN CC[C@@H](C(=O)N(C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000032618100 171740075 /nfs/dbraw/zinc/74/00/75/171740075.db2.gz KQZKOVYDWIROIN-GOSISDBHSA-N 0 0 292.382 3.710 50 30 CHEARN O=C(/C=C1\C(=O)Nc2ccccc21)c1ccccc1Cl ZINC000035686373 172354544 /nfs/dbraw/zinc/35/45/44/172354544.db2.gz MSLPZBKEXNGOGB-XFXZXTDPSA-N 0 0 283.714 3.558 50 30 CHEARN N#Cc1cc(C(F)(F)F)ccc1NCc1cccnc1 ZINC000037333994 173135770 /nfs/dbraw/zinc/13/57/70/173135770.db2.gz YCHJOQIINRZFBO-UHFFFAOYSA-N 0 0 277.249 3.584 50 30 CHEARN N#Cc1c(CSc2ccc(O)cc2)cn2ccccc12 ZINC000038078969 174088649 /nfs/dbraw/zinc/08/86/49/174088649.db2.gz YARNJVQAZNMEFJ-UHFFFAOYSA-N 0 0 280.352 3.809 50 30 CHEARN O=C(/C=C/c1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000040139505 174193786 /nfs/dbraw/zinc/19/37/86/174193786.db2.gz CNWBJWVNKCIBFJ-QPJJXVBHSA-N 0 0 289.237 3.769 50 30 CHEARN CCOc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000040139528 174194255 /nfs/dbraw/zinc/19/42/55/174194255.db2.gz ZMJDRRBNJIWLNZ-MDZDMXLPSA-N 0 0 297.310 3.890 50 30 CHEARN Cc1nn(C)cc1C(=O)/C=C/c1ccccc1C(F)(F)F ZINC000040150604 174194733 /nfs/dbraw/zinc/19/47/33/174194733.db2.gz INXWVUZSOAMNSV-BQYQJAHWSA-N 0 0 294.276 3.643 50 30 CHEARN O=C(/C=C/c1csnn1)c1cc(Cl)ccc1Cl ZINC000044013318 175138481 /nfs/dbraw/zinc/13/84/81/175138481.db2.gz HMVNHCYMYDBEIQ-DUXPYHPUSA-N 0 0 285.155 3.741 50 30 CHEARN CCCCCCCCC(=O)c1cc(O)c(O)c(O)c1 ZINC000044404423 175171388 /nfs/dbraw/zinc/17/13/88/175171388.db2.gz NVFRHTFJDGAFQS-UHFFFAOYSA-N 0 0 266.337 3.737 50 30 in-vitro CHEARN O=C(c1ccc(Cl)cc1)[C@H]1O[C@@H]1C(Cl)(Cl)Cl ZINC000071771534 176262567 /nfs/dbraw/zinc/26/25/67/176262567.db2.gz YAIYJBDYMUOYEZ-BDAKNGLRSA-N 0 0 299.968 3.660 50 30 CHEARN C=CCOc1ccc(C(=O)N(C)Cc2ccccc2F)cc1 ZINC000071800157 176265936 /nfs/dbraw/zinc/26/59/36/176265936.db2.gz QSIXITIPVNMVHG-UHFFFAOYSA-N 0 0 299.345 3.663 50 30 CHEARN Cc1ccccc1-c1nc(C#N)c(N2CCC[C@H](C)C2)o1 ZINC000072238476 176347280 /nfs/dbraw/zinc/34/72/80/176347280.db2.gz XPBQVOVQGGHHAH-LBPRGKRZSA-N 0 0 281.359 3.758 50 30 CHEARN N#Cc1ccc2[nH]cc(-c3cnc4ccccc4n3)c2c1 ZINC000077024312 177153568 /nfs/dbraw/zinc/15/35/68/177153568.db2.gz ZBTAOLMQXGJCCK-UHFFFAOYSA-N 0 0 270.295 3.650 50 30 CHEARN C[C@@H](CC#N)N(C)C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000078420099 177339972 /nfs/dbraw/zinc/33/99/72/177339972.db2.gz UWFCBRYSHBYQKH-RDBSUJKOSA-N 0 0 264.413 3.599 50 30 CHEARN O=C1C=C(NCCc2cccs2)C[C@@H](c2ccco2)C1 ZINC000009356331 260035912 /nfs/dbraw/zinc/03/59/12/260035912.db2.gz HZYAUSDKEHEUBU-GFCCVEGCSA-N 0 0 287.384 3.504 50 30 CHEARN COc1cc(/C=C/C(=O)c2ccccc2C)cc(OC)c1O ZINC000028913065 262372434 /nfs/dbraw/zinc/37/24/34/262372434.db2.gz RCFZCYJNSYMWIN-CMDGGOBGSA-N 0 0 298.338 3.614 50 30 CHEARN CCc1ccc(C(=O)C=CNc2ccc3c(c2)OCO3)cc1 ZINC000004957221 327721759 /nfs/dbraw/zinc/72/17/59/327721759.db2.gz FLNZKXMOEDRFBY-MDZDMXLPSA-N 0 0 295.338 3.786 50 30 CHEARN C[C@H]1[C@@H]2O[C@]23CC[C@@H](C3)C(C)(C)C(=O)[C@@H]2CCC[C@@H]21 ZINC000071786501 328754905 /nfs/dbraw/zinc/75/49/05/328754905.db2.gz GVDMNABDBKUREQ-NJDKBYOKSA-N 0 0 262.393 3.585 50 30 CHEARN C=C(Br)Cc1cccc(Br)c1 ZINC000002567445 517314347 /nfs/dbraw/zinc/31/43/47/517314347.db2.gz NFZYCGQKZPZZOW-UHFFFAOYSA-N 0 0 275.971 3.900 50 30 CHEARN C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)CCc1ccc(OC)cc1 ZINC000067820021 519106319 /nfs/dbraw/zinc/10/63/19/519106319.db2.gz GSYPROQQFWDRSY-NVXWUHKLSA-N 0 0 299.414 3.750 50 30 CHEARN C=CCc1cc(-c2nc3cc(C#N)ccc3[nH]2)ccc1OC ZINC000055042051 519122753 /nfs/dbraw/zinc/12/27/53/519122753.db2.gz INFGVVORQUCATE-UHFFFAOYSA-N 0 0 289.338 3.839 50 30 CHEARN CCCCCCCCCC(=O)O[C@@H]1CCC[C@@H](O)C1 ZINC000101455795 519979141 /nfs/dbraw/zinc/97/91/41/519979141.db2.gz QHRSZDRHNWFDMH-HUUCEWRRSA-N 0 0 270.413 3.974 50 30 CHEARN CCCCCCCCSc1nc(C)cc(=O)[nH]1 ZINC000002684107 520045440 /nfs/dbraw/zinc/04/54/40/520045440.db2.gz MQBGQFVVTWYBRW-UHFFFAOYSA-N 0 0 254.399 3.531 50 30 CHEARN COc1ccc(C(=O)/C=C\Sc2ccccn2)cc1 ZINC000012367771 523543366 /nfs/dbraw/zinc/54/33/66/523543366.db2.gz IOYBGXKIATYPON-LUAWRHEFSA-N 0 0 271.341 3.579 50 30 CHEARN N#C[C@@H](NC(=O)c1ccoc1)c1ccc(Cl)c(Cl)c1 ZINC000068457974 526496851 /nfs/dbraw/zinc/49/68/51/526496851.db2.gz CPKLALMHLZHKOO-GFCCVEGCSA-N 0 0 295.125 3.581 50 30 CHEARN CCCCc1ccc(NC(=S)NC[C@@H]2CCCO2)cc1 ZINC000013497506 529021391 /nfs/dbraw/zinc/02/13/91/529021391.db2.gz PODFYMUYOIDQOG-HNNXBMFYSA-N 0 0 292.448 3.906 50 30 CHEARN CCN1c2ccc(C)cc2S/C1=C\C(=O)C1CC1 ZINC000004595361 567858682 /nfs/dbraw/zinc/85/86/82/567858682.db2.gz ZOCRVPLGBWSGIP-DHDCSXOGSA-N 0 0 259.374 3.748 50 30 CHEARN CC1=CC(=NNC(=S)NC2CCCCC2)CC(C)(C)C1 ZINC000252511572 567930282 /nfs/dbraw/zinc/93/02/82/567930282.db2.gz ICHDTMCIZWZFKQ-UHFFFAOYSA-N 0 0 293.480 3.906 50 30 CHEARN COc1ccc2nc(C(F)(F)F)c(C#N)c(Cl)c2c1 ZINC000033944411 570273909 /nfs/dbraw/zinc/27/39/09/570273909.db2.gz MJVGKFJOTCTMDJ-UHFFFAOYSA-N 0 0 286.640 3.787 50 30 CHEARN COCC[C@@H](Oc1cccc(C#N)c1)c1ccccc1 ZINC000585135272 566829354 /nfs/dbraw/zinc/82/93/54/566829354.db2.gz NHHAOVBENQHKJI-QGZVFWFLSA-N 0 0 267.328 3.715 50 30 CHEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@]21C ZINC000253637076 566831316 /nfs/dbraw/zinc/83/13/16/566831316.db2.gz YOWOBPTVMDFSMZ-WTGUMLROSA-N 0 0 296.410 3.557 50 30 CHEARN N#Cc1c(/N=C/c2ccncc2)sc2c1CCCC2 ZINC000001209144 566840029 /nfs/dbraw/zinc/84/00/29/566840029.db2.gz BOYCPMWABWTWNB-VCHYOVAHSA-N 0 0 267.357 3.644 50 30 CHEARN C=CCN(Cc1ccc(C)s1)Cc1nn(C)cc1Cl ZINC000055359559 566868848 /nfs/dbraw/zinc/86/88/48/566868848.db2.gz QQUHUYGYMRIKJL-UHFFFAOYSA-N 0 0 295.839 3.632 50 30 CHEARN COc1ccnc(Sc2ccc(Cl)cc2)c1C#N ZINC000001382049 566865137 /nfs/dbraw/zinc/86/51/37/566865137.db2.gz GEESZGDZSPRROZ-UHFFFAOYSA-N 0 0 276.748 3.766 50 30 CHEARN C=CCN(C(=O)c1ccc(C)c(OC)c1)c1ccccc1 ZINC000058505100 566874786 /nfs/dbraw/zinc/87/47/86/566874786.db2.gz LKBDENOZBVUKRX-UHFFFAOYSA-N 0 0 281.355 3.836 50 30 CHEARN C=CCOc1ccc(C(=O)N(C)[C@H](C)c2ccco2)cc1 ZINC000084661179 566885308 /nfs/dbraw/zinc/88/53/08/566885308.db2.gz SSYSDRJQNPISNQ-CYBMUJFWSA-N 0 0 285.343 3.678 50 30 CHEARN CC#C[C@@]1(OC(C)=O)CC[C@H](c2ccccc2)CC1 ZINC000101378263 566889849 /nfs/dbraw/zinc/88/98/49/566889849.db2.gz LGVMOLAOFJEAFW-CALCHBBNSA-N 0 0 256.345 3.669 50 30 CHEARN C=C1SC(Nc2ccc(OC)cc2OC)=NC1(C)C ZINC000004693143 566890355 /nfs/dbraw/zinc/89/03/55/566890355.db2.gz AXPNJGGZFSXWBK-UHFFFAOYSA-N 0 0 278.377 3.511 50 30 CHEARN C=CCSc1ccccc1NC(=O)c1ccncc1 ZINC000015818740 566897120 /nfs/dbraw/zinc/89/71/20/566897120.db2.gz JNMIFZUSVMUGCM-UHFFFAOYSA-N 0 0 270.357 3.612 50 30 CHEARN C=CCc1cccc(C2N(C)c3ccccc3N2C)c1O ZINC000000127022 566899451 /nfs/dbraw/zinc/89/94/51/566899451.db2.gz SQGBIEBHZJWTFB-UHFFFAOYSA-N 0 0 280.371 3.706 50 30 CHEARN C=CCn1c(=O)nc(-c2ccccc2)cc1-c1ccccc1 ZINC000000383235 566899468 /nfs/dbraw/zinc/89/94/68/566899468.db2.gz GJNFZFHPHWCEGN-UHFFFAOYSA-N 0 0 288.350 3.763 50 30 CHEARN C=CCNc1nc(SC)nc2sc3c(c21)CCCC3 ZINC000002180799 566901500 /nfs/dbraw/zinc/90/15/00/566901500.db2.gz SQNFBLGXQDDAEK-UHFFFAOYSA-N 0 0 291.445 3.890 50 30 CHEARN C=CCCCCCCCCC(=O)Nc1ncccn1 ZINC000002061691 566903701 /nfs/dbraw/zinc/90/37/01/566903701.db2.gz UQSGIVHSLXUQGQ-UHFFFAOYSA-N 0 0 261.369 3.722 50 30 CHEARN CC(C)=NOC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004583039 566911736 /nfs/dbraw/zinc/91/17/36/566911736.db2.gz AUXSLPQOVGIIMH-UHFFFAOYSA-N 0 0 261.108 3.938 50 30 CHEARN Cc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000002164740 566912115 /nfs/dbraw/zinc/91/21/15/566912115.db2.gz TYJZUFGGKSSASD-GZTJUZNOSA-N 0 0 283.331 3.720 50 30 CHEARN CN1c2ccccc2O/C1=C\C=Nc1ccccc1 ZINC000409415904 566924677 /nfs/dbraw/zinc/92/46/77/566924677.db2.gz PKXLNYFVPPQIKL-FXFGGDGISA-N 0 0 250.301 3.759 50 30 CHEARN C=CCOc1c(C(=O)OCC)cnc2ccc(Cl)cc21 ZINC000019897598 566925601 /nfs/dbraw/zinc/92/56/01/566925601.db2.gz DRMKSSQZTBGXEZ-UHFFFAOYSA-N 0 0 291.734 3.630 50 30 CHEARN COc1cccc2cc(/C(=N/O)c3ccccc3)oc21 ZINC000015986847 566932290 /nfs/dbraw/zinc/93/22/90/566932290.db2.gz YIGPDMKOLMZWNJ-BMRADRMJSA-N 0 0 267.284 3.668 50 30 CHEARN N#C[C@H]1CCC[C@@H]1Nc1ncnc2sc3c(c21)CCCC3 ZINC000075092953 566936698 /nfs/dbraw/zinc/93/66/98/566936698.db2.gz REEDQTQYKAXEKZ-PWSUYJOCSA-N 0 0 298.415 3.674 50 30 CHEARN COc1ccc(C=NOC(=O)Nc2ccc(C)cc2)cc1 ZINC000252627220 566961162 /nfs/dbraw/zinc/96/11/62/566961162.db2.gz RPCVHGLELLJIIW-UHFFFAOYSA-N 0 0 284.315 3.586 50 30 CHEARN CCCC(Cl)=NOC(=O)Nc1ccc(C(C)=O)cc1 ZINC000239235780 566965979 /nfs/dbraw/zinc/96/59/79/566965979.db2.gz WRTJDHQCSXLHGZ-UHFFFAOYSA-N 0 0 282.727 3.790 50 30 CHEARN COc1cc(C=Nc2ccc(C)cc2C)ccc1O ZINC000252438278 566972374 /nfs/dbraw/zinc/97/23/74/566972374.db2.gz QFGLIEJJTFWIAW-UHFFFAOYSA-N 0 0 255.317 3.768 50 30 CHEARN CC(C)(CCC#N)CNc1ccc(Cn2cccn2)cc1 ZINC000089761651 567025387 /nfs/dbraw/zinc/02/53/87/567025387.db2.gz ORCVNQMENLRHPX-UHFFFAOYSA-N 0 0 282.391 3.673 50 30 CHEARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(C#N)cc2)C1(C)C ZINC000027151126 567047649 /nfs/dbraw/zinc/04/76/49/567047649.db2.gz UOKKAUAYENYROU-CABCVRRESA-N 0 0 268.360 3.735 50 30 CHEARN Brc1ccc(C=Nc2ccccn2)s1 ZINC000252462664 567051444 /nfs/dbraw/zinc/05/14/44/567051444.db2.gz VFIVEAFGUUWUON-UHFFFAOYSA-N 0 0 267.151 3.656 50 30 CHEARN S=C(N/N=C/C=C/c1ccccc1)Nc1ccccc1 ZINC000003633213 567058883 /nfs/dbraw/zinc/05/88/83/567058883.db2.gz VUSJWJPMCCHPMX-UVZCHINQSA-N 0 0 281.384 3.672 50 30 CHEARN C=CCCC(=O)N1CCS[C@@H](c2ccccc2)CC1 ZINC000208039672 567061307 /nfs/dbraw/zinc/06/13/07/567061307.db2.gz GZBXWUITUAPOGT-OAHLLOKOSA-N 0 0 275.417 3.659 50 30 CHEARN COc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000002167923 567062916 /nfs/dbraw/zinc/06/29/16/567062916.db2.gz JCQIJDBMDWHUEC-GORDUTHDSA-N 0 0 280.283 3.645 50 30 CHEARN CCc1nc2cc(N=Cc3cc(OC)ccc3O)ccc2[nH]1 ZINC000252605817 567066223 /nfs/dbraw/zinc/06/62/23/567066223.db2.gz GMRYVHJJRKHOJM-UHFFFAOYSA-N 0 0 295.342 3.590 50 30 CHEARN CC(=NOC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000252630030 567069880 /nfs/dbraw/zinc/06/98/80/567069880.db2.gz USZMRMOXPZKKKA-IAGOWNOFSA-N 0 0 279.339 3.758 50 30 CHEARN C(=NNc1ncnc2sc3c(c21)CCCC3)c1ccco1 ZINC000252627686 567070140 /nfs/dbraw/zinc/07/01/40/567070140.db2.gz RZQBUENNABHIEU-UHFFFAOYSA-N 0 0 298.371 3.609 50 30 CHEARN O=C(/C=C\c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000215040907 567073932 /nfs/dbraw/zinc/07/39/32/567073932.db2.gz HCIHGBQVFALYSG-HJWRWDBZSA-N 0 0 271.247 3.630 50 30 CHEARN N#Cc1ccccc1Oc1ccc(C(F)(F)F)c(C#N)n1 ZINC000253425250 567097948 /nfs/dbraw/zinc/09/79/48/567097948.db2.gz BXUFZKZXVMYELI-UHFFFAOYSA-N 0 0 289.216 3.636 50 30 CHEARN COc1ccc(OC)c2nc(-c3ccccc3)c(C#N)cc12 ZINC000012951661 567116414 /nfs/dbraw/zinc/11/64/14/567116414.db2.gz AQMMQSSPMNYPPC-UHFFFAOYSA-N 0 0 290.322 3.791 50 30 CHEARN N#Cc1ccc(NC(=O)CCCc2cccs2)cc1 ZINC000012884753 567117100 /nfs/dbraw/zinc/11/71/00/567117100.db2.gz ABIFVRMSABKUMP-UHFFFAOYSA-N 0 0 270.357 3.581 50 30 CHEARN C=CC(=O)NCc1nc(COC)sc1-c1ccccc1 ZINC000328596943 567118339 /nfs/dbraw/zinc/11/83/39/567118339.db2.gz BSJVPXSSRJXOFL-UHFFFAOYSA-N 0 0 288.372 3.599 50 30 CHEARN C=CC(=O)NCc1cc(F)c(C(F)(F)F)cc1F ZINC000328598304 567119718 /nfs/dbraw/zinc/11/97/18/567119718.db2.gz LALDUOGHWCCIOW-UHFFFAOYSA-N 0 0 265.181 3.626 50 30 CHEARN CCc1ccc2occ(C(=O)NC(C)(C)c3ncc[nH]3)c2c1 ZINC000328600520 567119922 /nfs/dbraw/zinc/11/99/22/567119922.db2.gz YDUQQXSDXBQVSW-UHFFFAOYSA-N 0 0 297.358 3.958 50 30 CHEARN CC(C)c1nc(N2CCCC2)c(C#N)c2c1COC(C)(C)C2 ZINC000019809085 567122017 /nfs/dbraw/zinc/12/20/17/567122017.db2.gz FWGKUNAFVZNOGH-UHFFFAOYSA-N 0 0 299.418 3.528 50 30 CHEARN O=C(/C=C\c1ccc2nccnc2c1)c1ccc(F)cc1 ZINC000096190026 567138218 /nfs/dbraw/zinc/13/82/18/567138218.db2.gz HHXGUDSWAYSYFT-WAPJZHGLSA-N 0 0 278.286 3.665 50 30 CHEARN N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CCCCC1 ZINC000096346429 567140950 /nfs/dbraw/zinc/14/09/50/567140950.db2.gz HKPXMLRTCAABJT-HUUCEWRRSA-N 0 0 293.370 3.808 50 30 CHEARN CN(C)c1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)cc1 ZINC000096403086 567141822 /nfs/dbraw/zinc/14/18/22/567141822.db2.gz LJOXPLCWRXYALI-WMZJFQQLSA-N 0 0 287.309 3.927 50 30 CHEARN CCCC(=O)Nc1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000225576965 567145990 /nfs/dbraw/zinc/14/59/90/567145990.db2.gz HLKHEGUUSQFHLM-UONOGXRCSA-N 0 0 285.391 3.919 50 30 CHEARN CCCC(=O)Nc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000225577045 567145998 /nfs/dbraw/zinc/14/59/98/567145998.db2.gz HLKHEGUUSQFHLM-KGLIPLIRSA-N 0 0 285.391 3.919 50 30 CHEARN N#CCSc1nc2ccccc2c(=O)n1C1CCCCC1 ZINC000002970106 567154688 /nfs/dbraw/zinc/15/46/88/567154688.db2.gz HHGZEKBJUOPIHK-UHFFFAOYSA-N 0 0 299.399 3.517 50 30 CHEARN Cc1nnc(N[C@@H](c2ccccc2)C2CC2)c(C#N)c1C ZINC000029441019 567155038 /nfs/dbraw/zinc/15/50/38/567155038.db2.gz WEBGLUSWEIJLMT-INIZCTEOSA-N 0 0 278.359 3.528 50 30 CHEARN N#CCOC(=O)c1ccccc1NCCC1=CCCCC1 ZINC000057466230 567157915 /nfs/dbraw/zinc/15/79/15/567157915.db2.gz LPXDFJFNDLHKRN-UHFFFAOYSA-N 0 0 284.359 3.669 50 30 CHEARN N#Cc1cccc(NC(=O)CCc2ccccc2Cl)c1 ZINC000003503863 567176190 /nfs/dbraw/zinc/17/61/90/567176190.db2.gz RTXBZHWLLHAQCJ-UHFFFAOYSA-N 0 0 284.746 3.783 50 30 CHEARN CC(NCCC1=CCCCC1)=C1C(=O)C[C@@H]2[C@H]1C2(C)C ZINC000003984751 567182489 /nfs/dbraw/zinc/18/24/89/567182489.db2.gz SKTIPNHCNOKTSS-QYPACOJMSA-N 0 0 273.420 3.986 50 30 biogenic CHEARN CCO/N=C(C(=N/OCC)\c1ccccc1)/c1ccccc1 ZINC000004180476 567189750 /nfs/dbraw/zinc/18/97/50/567189750.db2.gz BQCSKWNJBBJEHX-CLFAGFIQSA-N 0 0 296.370 3.868 50 30 CHEARN Cc1oc(-c2ccccc2)cc1C(=O)/C=C/N(C)C ZINC000000113388 567818717 /nfs/dbraw/zinc/81/87/17/567818717.db2.gz GXCWTWOFKWLPRR-MDZDMXLPSA-N 0 0 255.317 3.513 50 30 CHEARN CC[C@@]1(C)C[C@](CC#N)(c2ccccc2OC)CCO1 ZINC000000171715 567821388 /nfs/dbraw/zinc/82/13/88/567821388.db2.gz OUPPYFQFNVASQA-DLBZAZTESA-N 0 0 273.376 3.826 50 30 CHEARN Cc1ccnc(S/C=C/C(=O)c2ccc(Cl)cc2)n1 ZINC000000174414 567821485 /nfs/dbraw/zinc/82/14/85/567821485.db2.gz BDUCKBGQQROZPZ-VQHVLOKHSA-N 0 0 290.775 3.927 50 30 CHEARN COc1ccc(/N=C/c2cc(Cl)ccc2O)cc1OC ZINC000000220007 567822361 /nfs/dbraw/zinc/82/23/61/567822361.db2.gz KZSPKNZRBKAHBU-RQZCQDPDSA-N 0 0 291.734 3.813 50 30 CHEARN CC(=O)Nc1ccc(/N=C/c2ccc(C)cc2)cc1 ZINC000000244673 567822750 /nfs/dbraw/zinc/82/27/50/567822750.db2.gz REUODRDBLQASAI-GZTJUZNOSA-N 0 0 252.317 3.704 50 30 CHEARN Cc1cc(C)cc(/N=C/c2ccccc2[N+](=O)[O-])c1 ZINC000000297491 567824257 /nfs/dbraw/zinc/82/42/57/567824257.db2.gz QYOOCCYNTPXQSR-MHWRWJLKSA-N 0 0 254.289 3.962 50 30 CHEARN Cc1ccc(/N=C/c2cccc([N+](=O)[O-])c2)cc1F ZINC000000298252 567824299 /nfs/dbraw/zinc/82/42/99/567824299.db2.gz KKBXBAXIYUSYBJ-CXUHLZMHSA-N 0 0 258.252 3.793 50 30 CHEARN Cc1ccc(C(=O)C=CNc2ccc(F)cc2)cc1 ZINC000000304506 567824757 /nfs/dbraw/zinc/82/47/57/567824757.db2.gz LEZMNGHCSFCIOM-ZHACJKMWSA-N 0 0 255.292 3.943 50 30 CHEARN C[C@H](Sc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000000328868 567825527 /nfs/dbraw/zinc/82/55/27/567825527.db2.gz SZUIRCXOEZXHPQ-ZDUSSCGKSA-N 0 0 296.395 3.872 50 30 CHEARN Cc1[nH]c2ccccc2c1C=C1C(=O)c2ccccc2C1=O ZINC000000340423 567825957 /nfs/dbraw/zinc/82/59/57/567825957.db2.gz IUUFMYRXICPONR-UHFFFAOYSA-N 0 0 287.318 3.939 50 30 CHEARN Cc1ccccc1NN=C(C#N)C(=O)c1ccc(Cl)cc1 ZINC000000353278 567826131 /nfs/dbraw/zinc/82/61/31/567826131.db2.gz SIIVULOAERSHPG-HKWRFOASSA-N 0 0 297.745 3.823 50 30 CHEARN COc1ccc(C(=O)C=CNc2cc(C)ccc2O)cc1 ZINC000000464535 567831718 /nfs/dbraw/zinc/83/17/18/567831718.db2.gz AYKFOQBGBUGWGS-MDZDMXLPSA-N 0 0 283.327 3.518 50 30 CHEARN Nc1ccccc1NC1=CC(=O)C[C@H](c2ccc(F)cc2)C1 ZINC000000539371 567833366 /nfs/dbraw/zinc/83/33/66/567833366.db2.gz ZUEUKOHEJNYNSQ-CYBMUJFWSA-N 0 0 296.345 3.850 50 30 CHEARN CCOC(=O)c1ccc(/N=C/c2ccc(C)cc2)cc1 ZINC000000571189 567833754 /nfs/dbraw/zinc/83/37/54/567833754.db2.gz VOWNHTSDKNNWKF-LDADJPATSA-N 0 0 267.328 3.922 50 30 CHEARN N#Cc1cccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000561341 567833800 /nfs/dbraw/zinc/83/38/00/567833800.db2.gz CLQWWJDWCFFUQC-RQZCQDPDSA-N 0 0 285.690 3.870 50 30 CHEARN CCc1ccc2c(c1)/C(=C/C(=O)c1cccs1)C(=O)N2 ZINC000000621140 567834619 /nfs/dbraw/zinc/83/46/19/567834619.db2.gz ITYGMUOLJUBSJY-XFXZXTDPSA-N 0 0 283.352 3.529 50 30 CHEARN C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C ZINC000003201983 567844860 /nfs/dbraw/zinc/84/48/60/567844860.db2.gz ICTXHFFSOAJUMG-RMMWZPCPSA-N 0 0 298.426 3.637 50 30 biogenic CHEARN O=C1CC(=O)CC(c2ccc(C(F)(F)F)cc2)C1 ZINC000002577504 567848534 /nfs/dbraw/zinc/84/85/34/567848534.db2.gz GBQFDYLJNZTZOS-VIFPVBQESA-N 0 0 256.223 3.594 50 30 CHEARN O=C(C=CNc1ccc(F)c(F)c1)c1cccs1 ZINC000002857258 567849877 /nfs/dbraw/zinc/84/98/77/567849877.db2.gz CQVDARQMSAKDPE-AATRIKPKSA-N 0 0 265.284 3.835 50 30 CHEARN COc1ccc(/N=C/c2ccc(N(C)CCC#N)cc2)cc1 ZINC000003119319 567851582 /nfs/dbraw/zinc/85/15/82/567851582.db2.gz VBNLLNGUFLPMGR-XSFVSMFZSA-N 0 0 293.370 3.796 50 30 CHEARN c1cc(C23CC4CC(CC(C4)C2)C3)ccc1OC[C@@H]1CO1 ZINC000003913904 567854739 /nfs/dbraw/zinc/85/47/39/567854739.db2.gz UBQNMQHSQADGKR-DKENDCILSA-N 0 0 284.399 3.932 50 30 CHEARN Oc1ccc(/C=N/OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000004088935 567855142 /nfs/dbraw/zinc/85/51/42/567855142.db2.gz CRYDUZSLNLXVRH-DJKKODMXSA-N 0 0 295.260 3.962 50 30 CHEARN Cn1c2ccccc2nc1NN=Cc1c[nH]c2ccccc12 ZINC000004114754 567855417 /nfs/dbraw/zinc/85/54/17/567855417.db2.gz NZQHJAWSFQBHBZ-YBFXNURJSA-N 0 0 289.342 3.501 50 30 CHEARN FC(F)=C(F)OC(F)(F)C(F)(F)Br ZINC000004242131 567856149 /nfs/dbraw/zinc/85/61/49/567856149.db2.gz ZPYGRBTUNITHKJ-UHFFFAOYSA-N 0 0 276.933 3.619 50 30 CHEARN COc1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1 ZINC000004252718 567856155 /nfs/dbraw/zinc/85/61/55/567856155.db2.gz VRAOKQZJGLVVFP-UXBLZVDNSA-N 0 0 298.338 3.609 50 30 CHEARN COc1ccc2c(c1)CC/C(=C\c1ccccc1)C2=O ZINC000004472576 567857857 /nfs/dbraw/zinc/85/78/57/567857857.db2.gz RTLPXDPVWAKOEQ-RVDMUPIBSA-N 0 0 264.324 3.908 50 30 CHEARN CC(=O)Nc1ccc(/C=C/C(=O)c2cccs2)cc1 ZINC000004582852 567858450 /nfs/dbraw/zinc/85/84/50/567858450.db2.gz PMNTWMAKQSTUMA-RMKNXTFCSA-N 0 0 271.341 3.603 50 30 CHEARN C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3CC(=O)[C@@H]4O[C@@H]4[C@]3(C)[C@@H]1CC2 ZINC000005276514 567859435 /nfs/dbraw/zinc/85/94/35/567859435.db2.gz AELKZYLQKXEYRL-UWLOPDNNSA-N 0 0 288.431 3.976 50 30 CHEARN COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OC)c1 ZINC000007744817 567860394 /nfs/dbraw/zinc/86/03/94/567860394.db2.gz GNXWDCYUIVJPQR-CSKARUKUSA-N 0 0 298.338 3.609 50 30 CHEARN COc1ccccc1NC(=N)SCc1ccccc1 ZINC000007666395 567860396 /nfs/dbraw/zinc/86/03/96/567860396.db2.gz OTUQOIZOZZSWRA-UHFFFAOYSA-N 0 0 272.373 3.575 50 30 CHEARN C=CCN(CC=C)C(=O)Nc1cc(Cl)ccc1OC ZINC000002858162 567860700 /nfs/dbraw/zinc/86/07/00/567860700.db2.gz QXQBRWCYDXMAHL-UHFFFAOYSA-N 0 0 280.755 3.555 50 30 CHEARN S=c1[nH]ncn1N=Cc1cccc(Oc2ccccc2)c1 ZINC000013111911 567864927 /nfs/dbraw/zinc/86/49/27/567864927.db2.gz FZLOFGGQWPILIQ-LICLKQGHSA-N 0 0 296.355 3.615 50 30 CHEARN Fc1ccc(NC(=S)Nc2ccc3nccnc3c2)cc1 ZINC000013518934 567866384 /nfs/dbraw/zinc/86/63/84/567866384.db2.gz PTEDSCHBRIHXPK-UHFFFAOYSA-N 0 0 298.346 3.798 50 30 CHEARN Cc1ccc(NC2=CC(=O)C[C@@H](c3ccco3)C2)c(N)c1 ZINC000013771978 567867939 /nfs/dbraw/zinc/86/79/39/567867939.db2.gz WAJXUMQZCVYADW-LBPRGKRZSA-N 0 0 282.343 3.613 50 30 CHEARN N#Cc1ccc2c(c1)[nH]cc2C(=O)/C=C/c1cccs1 ZINC000015085646 567870396 /nfs/dbraw/zinc/87/03/96/567870396.db2.gz RMMJCQQEWXVOBW-GQCTYLIASA-N 0 0 278.336 3.997 50 30 CHEARN CC1(C)CC(=O)C=C(NCCc2c[nH]c3ccccc23)C1 ZINC000018105581 567876426 /nfs/dbraw/zinc/87/64/26/567876426.db2.gz DOACMWMKBQGINY-UHFFFAOYSA-N 0 0 282.387 3.573 50 30 CHEARN N#C[C@@H](c1c[nH]c2ccccc21)N1CCCCCC1 ZINC000019772680 567879161 /nfs/dbraw/zinc/87/91/61/567879161.db2.gz URYIMUUOQGIFBH-INIZCTEOSA-N 0 0 253.349 3.609 50 30 CHEARN Cc1ccc(NC(=O)N(CCC#N)[C@H](C)C2CC2)cc1 ZINC000072305971 567886594 /nfs/dbraw/zinc/88/65/94/567886594.db2.gz NFNHYBYLZFQLIF-CYBMUJFWSA-N 0 0 271.364 3.541 50 30 CHEARN N#Cc1cccc(COc2ccc(Br)cc2)c1 ZINC000000471994 567886619 /nfs/dbraw/zinc/88/66/19/567886619.db2.gz AWDQMNDLSRSDKN-UHFFFAOYSA-N 0 0 288.144 3.900 50 30 CHEARN COc1ccc(NC2=CC(=O)C[C@H](c3ccco3)C2)cc1 ZINC000000302800 567887447 /nfs/dbraw/zinc/88/74/47/567887447.db2.gz WQERMCPMDIEZAB-GFCCVEGCSA-N 0 0 283.327 3.731 50 30 CHEARN Cc1nc2cc(/N=C/c3cccs3)ccc2n1C ZINC000100868918 567889275 /nfs/dbraw/zinc/88/92/75/567889275.db2.gz NQHWKFANDWBTJJ-OQLLNIDSSA-N 0 0 255.346 3.694 50 30 CHEARN CC1=Nc2ccccc2C1=[NH+][N-]c1ccc(F)cc1 ZINC000100845063 567889449 /nfs/dbraw/zinc/88/94/49/567889449.db2.gz CBAPXQSLOBDIBX-CYVLTUHYSA-N 0 0 253.280 3.748 50 30 CHEARN C[C@@H](C#N)CN(C)C(=O)c1ccccc1Oc1ccccc1 ZINC000058209963 567895751 /nfs/dbraw/zinc/89/57/51/567895751.db2.gz NQYBZVZHIBOBOH-AWEZNQCLSA-N 0 0 294.354 3.711 50 30 CHEARN Cc1csc([C@@H](C#N)C(=O)c2cc(C)n(C3CC3)c2C)n1 ZINC000097048950 567903584 /nfs/dbraw/zinc/90/35/84/567903584.db2.gz AEVKTXJRULALAF-AWEZNQCLSA-N 0 0 299.399 3.695 50 30 CHEARN Cc1sc(NC(=O)c2ccc(C)cc2)c(C#N)c1C ZINC000000050818 567905853 /nfs/dbraw/zinc/90/58/53/567905853.db2.gz FQGNJKNXCQRHBD-UHFFFAOYSA-N 0 0 270.357 3.797 50 30 CHEARN COC(=O)c1ccc(/C=N/c2ccc(C)cc2)cc1 ZINC000098087199 567907689 /nfs/dbraw/zinc/90/76/89/567907689.db2.gz YZRNCKNGEOKEQW-GZTJUZNOSA-N 0 0 253.301 3.532 50 30 CHEARN O=C1c2ccccc2SC1=CNc1ccc([N+](=O)[O-])cc1 ZINC000100479618 567913333 /nfs/dbraw/zinc/91/33/33/567913333.db2.gz XDLIBYCMBFEMAR-NTEUORMPSA-N 0 0 298.323 3.837 50 30 CHEARN O=C1C=C(NCc2cccs2)C[C@@H](c2ccccc2)C1 ZINC000100566854 567913514 /nfs/dbraw/zinc/91/35/14/567913514.db2.gz ZINNQTHBLSXAMM-CQSZACIVSA-N 0 0 283.396 3.868 50 30 CHEARN Cc1cccc(/N=C/c2ccc(-n3ccnc3)cc2)c1 ZINC000100145246 567917124 /nfs/dbraw/zinc/91/71/24/567917124.db2.gz UCEXHRBQZMYOIL-XDHOZWIPSA-N 0 0 261.328 3.931 50 30 CHEARN O=C(/C=C\c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000033403075 567917139 /nfs/dbraw/zinc/91/71/39/567917139.db2.gz NANZDXIFHBIVTM-TWGQIWQCSA-N 0 0 271.247 3.630 50 30 CHEARN Cc1ccc(/C=N/OC(=O)c2ccc(Cl)cc2)cc1 ZINC000000138251 567923656 /nfs/dbraw/zinc/92/36/56/567923656.db2.gz SSNQHHJRSKNCRM-LICLKQGHSA-N 0 0 273.719 3.839 50 30 CHEARN CC(=O)N(c1cccc(Cl)c1)c1nc(C)cc(C)c1C#N ZINC000000178532 567924431 /nfs/dbraw/zinc/92/44/31/567924431.db2.gz AMESJMVYJRZDRD-UHFFFAOYSA-N 0 0 299.761 3.908 50 30 CHEARN N#Cc1c2c(sc1/N=C/c1cccc(O)c1)CCCC2 ZINC000000323862 567926819 /nfs/dbraw/zinc/92/68/19/567926819.db2.gz SDBMFLSVHJDEEE-VCHYOVAHSA-N 0 0 282.368 3.955 50 30 CHEARN C=CCn1c(=S)[nH]nc1[C@H](C)Oc1ccccc1C ZINC000002526654 567928119 /nfs/dbraw/zinc/92/81/19/567928119.db2.gz RASINPALMTXUMF-NSHDSACASA-N 0 0 275.377 3.575 50 30 CHEARN Cn1c2ccccc2nc1NN=Cc1c[nH]c2ccccc12 ZINC000252622647 567930193 /nfs/dbraw/zinc/93/01/93/567930193.db2.gz NZQHJAWSFQBHBZ-UHFFFAOYSA-N 0 0 289.342 3.501 50 30 CHEARN CC(=NOC(=O)c1ccccc1)c1ccc(C)cc1 ZINC000252590707 567930210 /nfs/dbraw/zinc/93/02/10/567930210.db2.gz AVDJJXWYHSUYGE-UHFFFAOYSA-N 0 0 253.301 3.576 50 30 CHEARN N#C[C@@H]1CCC[C@H]1Nc1ncnc2sc3c(c21)CCCC3 ZINC000075092954 567931311 /nfs/dbraw/zinc/93/13/11/567931311.db2.gz REEDQTQYKAXEKZ-CMPLNLGQSA-N 0 0 298.415 3.674 50 30 CHEARN Cc1ccccc1NC=C1C(=O)c2ccccc2N1C ZINC000136483303 567932168 /nfs/dbraw/zinc/93/21/68/567932168.db2.gz XTDBYQURCFUCMU-WJDWOHSUSA-N 0 0 264.328 3.581 50 30 CHEARN N#Cc1c(NC=CC(=O)c2ccco2)sc2c1CCCC2 ZINC000004167418 567932537 /nfs/dbraw/zinc/93/25/37/567932537.db2.gz QKJKRRQLWGGCLU-BQYQJAHWSA-N 0 0 298.367 3.900 50 30 CHEARN N#Cc1c(N)n(-c2ccccc2)cc1-c1ccccc1 ZINC000000521767 567942438 /nfs/dbraw/zinc/94/24/38/567942438.db2.gz CJNPJKYCHRKYHU-UHFFFAOYSA-N 0 0 259.312 3.598 50 30 CHEARN Cc1ccc(/N=C/c2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000000532146 567942568 /nfs/dbraw/zinc/94/25/68/567942568.db2.gz GZXDDBYVJPGKPQ-YBFXNURJSA-N 0 0 276.339 3.896 50 30 CHEARN C=CCn1c(-c2ccccc2)nc2nc3ccccc3nc21 ZINC000000540878 567942730 /nfs/dbraw/zinc/94/27/30/567942730.db2.gz XHXRGQZKKQPLGL-UHFFFAOYSA-N 0 0 286.338 3.833 50 30 aggregator CHEARN COc1ccc(NC=CC(=O)c2ccc(F)cc2)cc1 ZINC000104224452 567943439 /nfs/dbraw/zinc/94/34/39/567943439.db2.gz DTUVIEABFAECQW-ZHACJKMWSA-N 0 0 271.291 3.643 50 30 CHEARN C=CCN(C(C)=O)c1nc(-c2c[nH]c3ccccc32)cs1 ZINC000000573986 567943752 /nfs/dbraw/zinc/94/37/52/567943752.db2.gz RIQQPHAKQBSBHC-UHFFFAOYSA-N 0 0 297.383 3.830 50 30 CHEARN N#Cc1nccnc1SCc1ccc(Cl)cc1Cl ZINC000000170066 567945241 /nfs/dbraw/zinc/94/52/41/567945241.db2.gz HHTDYIKEIIFWLB-UHFFFAOYSA-N 0 0 296.182 3.947 50 30 CHEARN N#Cc1ccccc1CSc1nnc(C2CCCC2)[nH]1 ZINC000012104193 567945672 /nfs/dbraw/zinc/94/56/72/567945672.db2.gz ZQBSJOPSUNARFW-UHFFFAOYSA-N 0 0 284.388 3.626 50 30 CHEARN CCOc1ccc([C@@H](C)Nc2ccc(C#N)cn2)cc1OC ZINC000047511436 567945699 /nfs/dbraw/zinc/94/56/99/567945699.db2.gz QDNCYDMWVJXFLV-GFCCVEGCSA-N 0 0 297.358 3.534 50 30 CHEARN CCc1ccc(C/N=C/c2cccc(OC)c2O)cc1 ZINC000044836063 567945966 /nfs/dbraw/zinc/94/59/66/567945966.db2.gz XZKUIRIVEGVNRH-LDADJPATSA-N 0 0 269.344 3.582 50 30 CHEARN C=CCOc1cccc([C@H]2CC(=O)Nc3ccsc32)c1 ZINC000012363630 567948687 /nfs/dbraw/zinc/94/86/87/567948687.db2.gz XGEIDZULIHAANZ-CYBMUJFWSA-N 0 0 285.368 3.787 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccc(N3N=N3)cc2)cc1 ZINC000025666454 570230912 /nfs/dbraw/zinc/23/09/12/570230912.db2.gz RKJYOHXKHUNKNA-NYYWCZLTSA-N 0 0 279.299 3.694 50 30 CHEARN N#Cc1ccccc1NC(=S)Nc1ccc(F)cc1 ZINC000013556401 570238031 /nfs/dbraw/zinc/23/80/31/570238031.db2.gz AAJINUUEBDIAGI-UHFFFAOYSA-N 0 0 271.320 3.506 50 30 CHEARN N#Cc1cc2c(nc1SCc1cccnc1)CCCC2 ZINC000000377308 570266005 /nfs/dbraw/zinc/26/60/05/570266005.db2.gz WPZUEFBSMNFDLV-UHFFFAOYSA-N 0 0 281.384 3.519 50 30 CHEARN N#Cc1ccc(CSc2ccccn2)c(Cl)c1 ZINC000000133798 570279386 /nfs/dbraw/zinc/27/93/86/570279386.db2.gz QQCQUIVGPSDAPI-UHFFFAOYSA-N 0 0 260.749 3.899 50 30 CHEARN N#Cc1ccccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000000138639 570279399 /nfs/dbraw/zinc/27/93/99/570279399.db2.gz AQGMOOUYVDDMEG-UHFFFAOYSA-N 0 0 271.707 3.856 50 30 CHEARN O=[N+]([O-])c1cccc(/C=N/c2cc(Cl)ccc2O)c1 ZINC000018098170 570283191 /nfs/dbraw/zinc/28/31/91/570283191.db2.gz UAXMRHVONHERTJ-OVCLIPMQSA-N 0 0 276.679 3.704 50 30 CHEARN CCOC(=O)c1ccc(NC=CC(=O)c2ccccc2)cc1 ZINC000103765280 570287764 /nfs/dbraw/zinc/28/77/64/570287764.db2.gz ZBXKMWVNOQQKLF-SEYXRHQNSA-N 0 0 295.338 3.672 50 30 CHEARN CC1=NN([C@H](C#N)c2ccccc2O)[C@@H](c2ccccc2)C1 ZINC000012629981 570291265 /nfs/dbraw/zinc/29/12/65/570291265.db2.gz UHLAYLCGCDNPDG-IAGOWNOFSA-N 0 0 291.354 3.780 50 30 CHEARN C=C(C)COc1nc(-c2ccco2)c2c(c1C#N)CCC2 ZINC000012324872 570307991 /nfs/dbraw/zinc/30/79/91/570307991.db2.gz YUOLJYTWFKYWOF-UHFFFAOYSA-N 0 0 280.327 3.657 50 30 CHEARN CC[C@H]1CCc2[nH]c(=S)c(C#N)c(C(F)(F)F)c2C1 ZINC000000804194 570309410 /nfs/dbraw/zinc/30/94/10/570309410.db2.gz ZCTSQRJAZRMBPY-ZETCQYMHSA-N 0 0 286.322 3.776 50 30 CHEARN Cc1ccc(CN(C(=O)c2cccc(C#N)c2)C2CC2)cc1 ZINC000025292806 570323538 /nfs/dbraw/zinc/32/35/38/570323538.db2.gz ZBNBQYIZYJZCHS-UHFFFAOYSA-N 0 0 290.366 3.672 50 30 CHEARN N#CCc1c(Cl)c(Cl)ccc1OC(F)F ZINC000263624176 570325636 /nfs/dbraw/zinc/32/56/36/570325636.db2.gz OCGXRSLOMKTBQP-UHFFFAOYSA-N 0 0 252.047 3.661 50 30 CHEARN N#CCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000263623555 570325702 /nfs/dbraw/zinc/32/57/02/570325702.db2.gz ILVIZQLGGGSCLX-UHFFFAOYSA-N 0 0 252.047 3.661 50 30 CHEARN N#Cc1ccc(OC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000003279687 570327813 /nfs/dbraw/zinc/32/78/13/570327813.db2.gz FWAVTQOJGIXUIN-UHFFFAOYSA-N 0 0 293.656 3.709 50 30 CHEARN C=C(Br)CCc1ccc(OC)c(OC)c1 ZINC000043208801 570331155 /nfs/dbraw/zinc/33/11/55/570331155.db2.gz OPEHRNOZFPFPQK-UHFFFAOYSA-N 0 0 271.154 3.545 50 30 CHEARN C=CCN(C(C)=O)c1nc(-c2ccc(C)cc2)cs1 ZINC000004672988 570333983 /nfs/dbraw/zinc/33/39/83/570333983.db2.gz WZLWZFBNMDFYLL-UHFFFAOYSA-N 0 0 272.373 3.657 50 30 CHEARN O=C(Nc1ccc(C#Cc2ccccc2)cc1)C(F)(F)F ZINC000004088236 570337633 /nfs/dbraw/zinc/33/76/33/570337633.db2.gz JZSYMWHPSOGDEI-UHFFFAOYSA-N 0 0 289.256 3.587 50 30 CHEARN C=CCN(C(=O)c1ccco1)c1nc2ccccc2s1 ZINC000014196533 570340619 /nfs/dbraw/zinc/34/06/19/570340619.db2.gz WQGXUFOMLVYSOA-UHFFFAOYSA-N 0 0 284.340 3.722 50 30 CHEARN COc1ccc([C@@H](C#N)[C@@H](C#N)c2ccccc2)cc1 ZINC000000397081 570342537 /nfs/dbraw/zinc/34/25/37/570342537.db2.gz BROIWEJXIAKVSL-DLBZAZTESA-N 0 0 262.312 3.610 50 30 CHEARN COc1ccccc1[C@@H](C)N(C)Cc1ccccc1C#N ZINC000026333222 570348718 /nfs/dbraw/zinc/34/87/18/570348718.db2.gz LBSHYHUOPOYIRB-CQSZACIVSA-N 0 0 280.371 3.760 50 30 CHEARN Oc1ccc(Cl)cc1C=Nc1ccc2c(c1)OCCO2 ZINC000252589146 570375699 /nfs/dbraw/zinc/37/56/99/570375699.db2.gz AHINMAVDDOJLGK-UHFFFAOYSA-N 0 0 289.718 3.567 50 30 CHEARN COc1ccc(N=CC=Nc2ccc(OC)cc2)cc1 ZINC000252612276 570376193 /nfs/dbraw/zinc/37/61/93/570376193.db2.gz IRMGPOUTEGABKC-UHFFFAOYSA-N 0 0 268.316 3.809 50 30 CHEARN N#Cc1nccnc1Oc1cc(C(F)(F)F)ccc1Cl ZINC000253392834 570384700 /nfs/dbraw/zinc/38/47/00/570384700.db2.gz GRKYIRASFGLKBH-UHFFFAOYSA-N 0 0 299.639 3.813 50 30 CHEARN CC(C)=CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000000145658 570386813 /nfs/dbraw/zinc/38/68/13/570386813.db2.gz KPRFLMYPGRECPQ-SNVBAGLBSA-N 0 0 274.389 3.649 50 30 CHEARN CSc1nc(C)c(C(=O)Nc2ccccc2)c(C)c1C#N ZINC000000181197 570387176 /nfs/dbraw/zinc/38/71/76/570387176.db2.gz KJJDYOHIROOAMK-UHFFFAOYSA-N 0 0 297.383 3.544 50 30 CHEARN Cc1nc(C)c(C#N)c(-c2ccc(Cl)cc2)c1C#N ZINC000000406500 570388240 /nfs/dbraw/zinc/38/82/40/570388240.db2.gz YQWZUNSGXBOAIE-UHFFFAOYSA-N 0 0 267.719 3.762 50 30 CHEARN COc1cc2c(cc1-c1nc3cc(C#N)ccc3[nH]1)CCC2 ZINC000067955784 570394053 /nfs/dbraw/zinc/39/40/53/570394053.db2.gz GIWMWTAALHJGCQ-UHFFFAOYSA-N 0 0 289.338 3.599 50 30 CHEARN C=Cc1cccc(-c2cc(-c3ccccn3)nc(N)c2C#N)c1 ZINC000067769662 570394151 /nfs/dbraw/zinc/39/41/51/570394151.db2.gz CLGSOJNTLIDQSQ-UHFFFAOYSA-N 0 0 298.349 3.907 50 30 CHEARN N#Cc1c[nH]c(C(=O)N(CCC2=CCCCC2)CC2CC2)c1 ZINC000426690700 570394502 /nfs/dbraw/zinc/39/45/02/570394502.db2.gz OZTPILPGKFXHSB-UHFFFAOYSA-N 0 0 297.402 3.629 50 30 CHEARN N#Cc1cccc(NC(=O)C2C3CC4CC(C3)CC2C4)c1 ZINC000012804431 570395763 /nfs/dbraw/zinc/39/57/63/570395763.db2.gz MWLSCCUULQWVDG-UHFFFAOYSA-N 0 0 280.371 3.569 50 30 CHEARN C[C@H](c1ccco1)N(C(=O)c1cccc(C#N)c1)C1CC1 ZINC000056181843 570397301 /nfs/dbraw/zinc/39/73/01/570397301.db2.gz FOFWSYHFDRFXGV-GFCCVEGCSA-N 0 0 280.327 3.517 50 30 CHEARN C[C@@H](C#N)Sc1nn(-c2ccccc2)c(=S)s1 ZINC000002639946 570397655 /nfs/dbraw/zinc/39/76/55/570397655.db2.gz MYYGJTJFLVZXAD-QMMMGPOBSA-N 0 0 279.415 3.667 50 30 CHEARN CCc1c(C)sc(NC(=O)C2CCCC2)c1C#N ZINC000002746090 570398370 /nfs/dbraw/zinc/39/83/70/570398370.db2.gz ZBDPXYUQLOIMCH-UHFFFAOYSA-N 0 0 262.378 3.619 50 30 CHEARN CCc1cccc(C)c1NC(=O)c1ccc(OCC#N)cc1 ZINC000003344310 570398708 /nfs/dbraw/zinc/39/87/08/570398708.db2.gz LINHUTFLIVPLAF-UHFFFAOYSA-N 0 0 294.354 3.712 50 30 CHEARN CC(=O)Nc1cc(Cl)ccc1NCc1ccc(C#N)cc1 ZINC000069656892 570402119 /nfs/dbraw/zinc/40/21/19/570402119.db2.gz MUFLIGITRMUHKL-UHFFFAOYSA-N 0 0 299.761 3.782 50 30 CHEARN Cc1ccc2c(c1)/C(=N\c1cc(C)cc(C)c1)C(=O)N2 ZINC000013855926 1125513140 /nfs/dbraw/zinc/51/31/40/1125513140.db2.gz UXYJXEKPHYAXIZ-UHFFFAOYSA-N 0 0 264.328 3.685 50 30 CHEARN CN(C(=O)c1ccc(C#N)cc1)[C@H]1CCCc2ccccc21 ZINC000023151904 1125582249 /nfs/dbraw/zinc/58/22/49/1125582249.db2.gz ILRYIRJIPOEENV-SFHVURJKSA-N 0 0 290.366 3.708 50 30 CHEARN Cc1ccc(/C=C/C(=O)OCc2ccc(C#N)cc2)cc1 ZINC000003352886 1125687540 /nfs/dbraw/zinc/68/75/40/1125687540.db2.gz HGMKDGGJWROLIR-ZHACJKMWSA-N 0 0 277.323 3.623 50 30 CHEARN O=C1c2ccccc2OC/C1=C/c1cccc(Cl)c1 ZINC000083308421 1126764968 /nfs/dbraw/zinc/76/49/68/1126764968.db2.gz LFDFZOZXPJDQMU-WQLSENKSSA-N 0 0 270.715 3.999 50 30 CHEARN C(=Nc1ccc2c(c1)OCO2)c1ccc2ncccc2c1 ZINC000254591171 1127134362 /nfs/dbraw/zinc/13/43/62/1127134362.db2.gz KTLFPDRMEGLYSM-UHFFFAOYSA-N 0 0 276.295 3.714 50 30 CHEARN N#Cc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000014908235 1128204423 /nfs/dbraw/zinc/20/44/23/1128204423.db2.gz UCFHDXMJMMALRT-UHFFFAOYSA-N 0 0 296.757 3.882 50 30 CHEARN C=C[C@@]12CC[C@@H](C[C@H]1OC(=O)C(=O)c1ccccc1)C2(C)C ZINC000043199338 1128597047 /nfs/dbraw/zinc/59/70/47/1128597047.db2.gz YMQSBRVEMYWDGL-QMTMVMCOSA-N 0 0 298.382 3.793 50 30 CHEARN COc1cc(/C=C\C(=O)c2ccc(C)cc2)cc(OC)c1O ZINC000033742070 1128605097 /nfs/dbraw/zinc/60/50/97/1128605097.db2.gz PTQZPYCAVDTMQZ-TWGQIWQCSA-N 0 0 298.338 3.614 50 30 CHEARN CC(=CC(=O)C(F)(F)F)Nc1cc(C)cc(C)c1 ZINC000013858378 1117979996 /nfs/dbraw/zinc/97/99/96/1117979996.db2.gz ITPASGJPVKYPDB-JXMROGBWSA-N 0 0 257.255 3.751 50 30 CHEARN CCCCSc1nc2c(cc1C#N)C1CCN2CC1 ZINC000022708870 1118799190 /nfs/dbraw/zinc/79/91/90/1118799190.db2.gz VNILRQUJDBZXGD-UHFFFAOYSA-N 0 0 273.405 3.543 50 30 CHEARN N#CCCC1(CCC#N)c2ccccc2-c2ncccc21 ZINC000002981217 1119236370 /nfs/dbraw/zinc/23/63/70/1119236370.db2.gz DONRNIKEVFLMJF-UHFFFAOYSA-N 0 0 273.339 3.956 50 30 CHEARN C=CCc1c(Cl)nc(C)nc1NCc1ccccc1 ZINC000000406284 1119527286 /nfs/dbraw/zinc/52/72/86/1119527286.db2.gz CJOZWYPAQFUNMT-UHFFFAOYSA-N 0 0 273.767 3.779 50 30 CHEARN N#Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000252460544 1119529099 /nfs/dbraw/zinc/52/90/99/1119529099.db2.gz GEOGCSKVRNIYIF-UHFFFAOYSA-N 0 0 285.690 3.870 50 30 CHEARN O=C(/C=C/c1ccccc1C(F)(F)F)c1cccnc1 ZINC000016406292 1119851756 /nfs/dbraw/zinc/85/17/56/1119851756.db2.gz AOOPSEWBGXSMSZ-BQYQJAHWSA-N 0 0 277.245 3.997 50 30 CHEARN CC(=O)/C=C/c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000253495648 1120123356 /nfs/dbraw/zinc/12/33/56/1120123356.db2.gz MMVNNESDOYZBQH-VOTSOKGWSA-N 0 0 255.361 3.921 50 30 CHEARN CCCc1nc(N)c(C#N)c(-c2ccccc2)c1CC ZINC000019525220 1120559549 /nfs/dbraw/zinc/55/95/49/1120559549.db2.gz LWVBAQGEBLLMKM-UHFFFAOYSA-N 0 0 265.360 3.717 50 30 CHEARN C=C(Cl)COc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000000858652 1120679512 /nfs/dbraw/zinc/67/95/12/1120679512.db2.gz RBHDFIAQMJUEQC-UHFFFAOYSA-N 0 0 278.735 3.850 50 30 CHEARN COc1cccc(C(=O)C=CNc2ccccc2OC)c1 ZINC000107696026 1120721727 /nfs/dbraw/zinc/72/17/27/1120721727.db2.gz HCYSMJSLCCLULP-KHPPLWFESA-N 0 0 283.327 3.512 50 30 CHEARN CC(=O)Nc1ccc(C(C)=NOCc2ccccc2)cc1 ZINC000245284246 1121180374 /nfs/dbraw/zinc/18/03/74/1121180374.db2.gz QWVGMFQIGWAISF-UHFFFAOYSA-N 0 0 282.343 3.586 50 30 CHEARN Oc1cccc(C=NNc2ccc3ccccc3c2)c1O ZINC000254869127 1121689240 /nfs/dbraw/zinc/68/92/40/1121689240.db2.gz ZSYQGOICAHDQCK-UHFFFAOYSA-N 0 0 278.311 3.697 50 30 CHEARN Cc1nc2ccccc2nc1CSCCCCC#N ZINC000178385957 1121796939 /nfs/dbraw/zinc/79/69/39/1121796939.db2.gz OYVJNGVJXPGGQU-UHFFFAOYSA-N 0 0 271.389 3.865 50 30 CHEARN N#Cc1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1 ZINC000032366074 1121953346 /nfs/dbraw/zinc/95/33/46/1121953346.db2.gz HQGGBGGXYROHGK-UHFFFAOYSA-N 0 0 290.366 3.578 50 30 CHEARN CN(Cc1ccc(C(F)(F)F)cc1)c1ncccc1C#N ZINC000012816272 1123492902 /nfs/dbraw/zinc/49/29/02/1123492902.db2.gz NPSXJPOPGHZSGF-UHFFFAOYSA-N 0 0 291.276 3.608 50 30 CHEARN O=C(/C=C/c1cc(F)ccc1F)c1ccc(O)cc1 ZINC000025977948 1123858530 /nfs/dbraw/zinc/85/85/30/1123858530.db2.gz XUKBABOKBOKKPA-FPYGCLRLSA-N 0 0 260.239 3.567 50 30 CHEARN C=CCSCC(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000096002290 1129502986 /nfs/dbraw/zinc/50/29/86/1129502986.db2.gz SXDLXNCQHGQFLO-OFAQMXQXSA-N 0 0 287.428 3.610 50 30 CHEARN Cc1cc(C(=O)/C=C\c2cccc3c2OCO3)c(C)s1 ZINC000098008635 1129638396 /nfs/dbraw/zinc/63/83/96/1129638396.db2.gz ZZECEQQUJZPAFE-SREVYHEPSA-N 0 0 286.352 3.990 50 30 CHEARN CN(C)c1ccc(C(=O)/C=C\c2cccc(C#N)c2)cc1 ZINC000098054283 1129641999 /nfs/dbraw/zinc/64/19/99/1129641999.db2.gz ONFFDTIDJCEVTE-WDZFZDKYSA-N 0 0 276.339 3.520 50 30 CHEARN Cc1csc2nc(C)c(C=NOCc3ccccc3)n12 ZINC000254331039 1129687157 /nfs/dbraw/zinc/68/71/57/1129687157.db2.gz WGIUKCVVYREKSF-UHFFFAOYSA-N 0 0 285.372 3.563 50 30 CHEARN COc1cccc(N=Cc2c[nH]c3ccccc23)c1 ZINC000254492130 1129698040 /nfs/dbraw/zinc/69/80/40/1129698040.db2.gz DCPWMQVQFZFQFQ-UHFFFAOYSA-N 0 0 250.301 3.927 50 30 CHEARN O=[N+]([O-])c1ccc(C=Nc2ccc(N3CCCCC3)cc2)o1 ZINC000254516848 1129699613 /nfs/dbraw/zinc/69/96/13/1129699613.db2.gz HBHWPRJOCHTBFP-UHFFFAOYSA-N 0 0 299.330 3.929 50 30 CHEARN Fc1ccc2[nH]c3c(c2c1)C(=NN1CCCCC1)CCC3 ZINC000254765571 1129709781 /nfs/dbraw/zinc/70/97/81/1129709781.db2.gz FEFBTLJZXKGYHX-UHFFFAOYSA-N 0 0 285.366 3.833 50 30 CHEARN CCNN=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000254884273 1129716698 /nfs/dbraw/zinc/71/66/98/1129716698.db2.gz PRLGETWZIPQQSM-UHFFFAOYSA-N 0 0 276.424 3.931 50 30 CHEARN C=C(C)C[N@@H+](CC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000215914 1129737520 /nfs/dbraw/zinc/73/75/20/1129737520.db2.gz BRUPFGLQOFFLOP-UHFFFAOYSA-N 0 0 268.744 3.646 50 30 CHEARN C#CCCC1(CCC(=O)Nc2ccc(C3CC3)cc2)N=N1 ZINC000952880684 1132017219 /nfs/dbraw/zinc/01/72/19/1132017219.db2.gz DBMQTYKXHGQYTQ-UHFFFAOYSA-N 0 0 281.359 3.858 50 30 CHEARN C#CCCC1(CCC(=O)Nc2cccc3c2CCCC3)N=N1 ZINC000952881895 1132017412 /nfs/dbraw/zinc/01/74/12/1132017412.db2.gz KFKVRIKRSVYQKP-UHFFFAOYSA-N 0 0 295.386 3.860 50 30 CHEARN Oc1ccccc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000004176558 230368748 /nfs/dbraw/zinc/36/87/48/230368748.db2.gz WOEBAKPXJFRAPH-LICLKQGHSA-N 0 0 295.367 3.962 50 30 CHEARN N#Cc1ncc(C(F)(F)F)cc1NCc1ccccc1 ZINC000095829749 185028650 /nfs/dbraw/zinc/02/86/50/185028650.db2.gz FDKPQWWEOHYLSZ-UHFFFAOYSA-N 0 0 277.249 3.584 50 30 CHEARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C/N(C)C ZINC000095921818 185031407 /nfs/dbraw/zinc/03/14/07/185031407.db2.gz REJOEJVYOJDSDD-CMDGGOBGSA-N 0 0 290.363 3.516 50 30 CHEARN N#Cc1ccc(SCCn2ccnc2)cc1C(F)(F)F ZINC000096007252 185062938 /nfs/dbraw/zinc/06/29/38/185062938.db2.gz SQGXGZCYJPFRPU-UHFFFAOYSA-N 0 0 297.305 3.566 50 30 CHEARN O=C(/C=C\c1cccnc1)c1c[nH]c2cc(F)ccc12 ZINC000096035637 185069597 /nfs/dbraw/zinc/06/95/97/185069597.db2.gz MOGHRIMLAQGOLU-UTCJRWHESA-N 0 0 266.275 3.598 50 30 CHEARN N#Cc1ccc(/C=C\C(=O)c2cc(F)ccc2F)cc1 ZINC000096766122 185112076 /nfs/dbraw/zinc/11/20/76/185112076.db2.gz GHJZZRYNHIDCLG-YVMONPNESA-N 0 0 269.250 3.733 50 30 CHEARN Cc1cc(C)c(/C=C\C(=O)c2cccnc2)cc1C ZINC000096766377 185112099 /nfs/dbraw/zinc/11/20/99/185112099.db2.gz LSHZSDAUHVEMFF-SREVYHEPSA-N 0 0 251.329 3.903 50 30 CHEARN CC(=O)Nc1cccc(C(=O)/C=C\c2ccccc2)c1 ZINC000096766870 185112104 /nfs/dbraw/zinc/11/21/04/185112104.db2.gz OJASVVYKGMYYOD-KHPPLWFESA-N 0 0 265.312 3.541 50 30 CHEARN N#Cc1cccc(CN[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000096791947 185114444 /nfs/dbraw/zinc/11/44/44/185114444.db2.gz TWHHMXCCNFVUET-FQEVSTJZSA-N 0 0 299.377 3.832 50 30 CHEARN O=C(/C=C\c1ccsc1)c1ccc(N2CCCC2=O)cc1 ZINC000096893587 185124970 /nfs/dbraw/zinc/12/49/70/185124970.db2.gz NZJSMKRWPMGYSJ-BAQGIRSFSA-N 0 0 297.379 3.771 50 30 CHEARN CSc1ccc(/C=C2/Oc3cc(O)ccc3C2=O)cc1 ZINC000096920986 185130296 /nfs/dbraw/zinc/13/02/96/185130296.db2.gz SYKRCWMDUPVYNE-OVCLIPMQSA-N 0 0 284.336 3.730 50 30 CHEARN O=C1c2cc(F)ccc2OCC/C1=C/c1ccccc1 ZINC000096988688 185148444 /nfs/dbraw/zinc/14/84/44/185148444.db2.gz UWNTZLNMXMELFW-RAXLEYEMSA-N 0 0 268.287 3.875 50 30 CHEARN CC(C)(C#N)c1ccc(-c2cc(C3CC3)ncn2)cc1 ZINC000097495395 185617219 /nfs/dbraw/zinc/61/72/19/185617219.db2.gz MRPGUSNIOSXBOI-UHFFFAOYSA-N 0 0 263.344 3.822 50 30 CHEARN CC(C)[C@@H]1C[C@](CC#N)(Cc2ccccc2)CCO1 ZINC000085375933 179044072 /nfs/dbraw/zinc/04/40/72/179044072.db2.gz YGMRGLNLBOWLEJ-IRXDYDNUSA-N 0 0 257.377 3.964 50 30 CHEARN Cc1ccc2[nH]c(=NN=Cc3ccco3)sc2c1 ZINC000098086925 185685670 /nfs/dbraw/zinc/68/56/70/185685670.db2.gz BWEGSOSYQMAQMX-ZSOIEALJSA-N 0 0 257.318 3.644 50 30 CHEARN CC(=O)c1ccc(NC=CC(=O)c2ccc(F)cc2)cc1 ZINC000100246831 185709643 /nfs/dbraw/zinc/70/96/43/185709643.db2.gz OKNOQXNRQGZWRO-ZHACJKMWSA-N 0 0 283.302 3.837 50 30 CHEARN CCCCCCCCCCCC(=O)OC[C@@H](C)O ZINC000085808988 179176888 /nfs/dbraw/zinc/17/68/88/179176888.db2.gz BHIZVZJETFVJMJ-CQSZACIVSA-N 0 0 258.402 3.831 50 30 CHEARN CCCCCCCCCCCC(=O)OC[C@H](C)O ZINC000085808991 179177086 /nfs/dbraw/zinc/17/70/86/179177086.db2.gz BHIZVZJETFVJMJ-AWEZNQCLSA-N 0 0 258.402 3.831 50 30 CHEARN CN1c2ccccc2/C(=N\c2ccc3ccccc3c2)C1=O ZINC000102458274 185777594 /nfs/dbraw/zinc/77/75/94/185777594.db2.gz ZNCWAWTXQSKGOJ-CZIZESTLSA-N 0 0 286.334 3.937 50 30 CHEARN C=CCN(CC(F)(F)F)C(=O)Nc1cc(F)cc(F)c1 ZINC000089893952 179877937 /nfs/dbraw/zinc/87/79/37/179877937.db2.gz OIWPQNQJRDGETQ-UHFFFAOYSA-N 0 0 294.223 3.547 50 30 CHEARN Cc1ccccc1C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000090624382 180014524 /nfs/dbraw/zinc/01/45/24/180014524.db2.gz JVWIFQJACCTZJV-VURMDHGXSA-N 0 0 266.296 3.620 50 30 CHEARN N#Cc1c2[nH]c3ccccc3n2c(=S)c2c1CCCC2 ZINC000002585251 169814308 /nfs/dbraw/zinc/81/43/08/169814308.db2.gz JINFBQWMXOKPOO-UHFFFAOYSA-N 0 0 279.368 3.901 50 30 CHEARN C#C[C@](C)(CC)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000100183 169536083 /nfs/dbraw/zinc/53/60/83/169536083.db2.gz GRKYZYLKOSJCER-CYBMUJFWSA-N 0 0 270.159 3.525 50 30 CHEARN CC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccccc1 ZINC000000140259 169551226 /nfs/dbraw/zinc/55/12/26/169551226.db2.gz DJZZJABZXHWXKR-CRAIPNDOSA-N 0 0 280.323 3.625 50 30 CHEARN N#C[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000000188822 169568693 /nfs/dbraw/zinc/56/86/93/169568693.db2.gz NDVVCBGPWQMFDQ-QMMMGPOBSA-N 0 0 275.149 3.874 50 30 CHEARN Cc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(N(C)C)cc1 ZINC000000298072 169600885 /nfs/dbraw/zinc/60/08/85/169600885.db2.gz OPIXZNJIQMXANX-GZTJUZNOSA-N 0 0 283.331 3.720 50 30 CHEARN O=C(Nc1ccccc1)O/N=C1\CCc2ccccc21 ZINC000000298475 169600955 /nfs/dbraw/zinc/60/09/55/169600955.db2.gz WPKZGBHEUTULHC-OBGWFSINSA-N 0 0 266.300 3.586 50 30 CHEARN CO[C@@]1(C)C(C)(C)[C@H](c2ccc(Cl)cc2)C1(C#N)C#N ZINC000000340749 169611564 /nfs/dbraw/zinc/61/15/64/169611564.db2.gz FNOZGXLMDPALNO-ZFWWWQNUSA-N 0 0 288.778 3.902 50 30 CHEARN CCOc1ccccc1/C=N/c1nc2ccccc2n1C ZINC000000349400 169613998 /nfs/dbraw/zinc/61/39/98/169613998.db2.gz ZZKBVIZOPXBDJU-LDADJPATSA-N 0 0 279.343 3.723 50 30 CHEARN CO/N=C/CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000004051463 184530470 /nfs/dbraw/zinc/53/04/70/184530470.db2.gz DJOXEDHUJJDYFH-SFQUDFHCSA-N 0 0 253.301 3.559 50 30 CHEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)C(C)C)sc2C1 ZINC000000483217 169653306 /nfs/dbraw/zinc/65/33/06/169653306.db2.gz ZRNVCEFYZNOZQJ-SNVBAGLBSA-N 0 0 276.405 3.729 50 30 CHEARN Cc1ccc(/C=C2\COc3ccccc3C2=O)cc1 ZINC000000500179 169657189 /nfs/dbraw/zinc/65/71/89/169657189.db2.gz WBNQZJCOQHDUHB-GXDHUFHOSA-N 0 0 250.297 3.654 50 30 CHEARN CCCCCCCCCC[C@@H]1C[C@@H]2C[C@@H](O)O[C@@H]2O1 ZINC000230057771 256699560 /nfs/dbraw/zinc/69/95/60/256699560.db2.gz JBVBWQPXSQZSQR-WCVJEAGWSA-N 0 0 270.413 3.987 50 30 CHEARN O=C(/C=C\c1cccnc1)c1cccc(Br)c1 ZINC000096305125 256774254 /nfs/dbraw/zinc/77/42/54/256774254.db2.gz NTMMNDZZHPICBG-SREVYHEPSA-N 0 0 288.144 3.740 50 30 CHEARN CC[C@@H](NC(=O)c1occc1C(C)C)C1CCOCC1 ZINC000330552530 256849217 /nfs/dbraw/zinc/84/92/17/256849217.db2.gz XYPNOVHPRIGBFN-CQSZACIVSA-N 0 0 279.380 3.913 50 30 CHEARN C=CCNC(=O)c1ccccc1SCc1ccccc1 ZINC000004851187 256857660 /nfs/dbraw/zinc/85/76/60/256857660.db2.gz CQYVSUUPLSNPGW-UHFFFAOYSA-N 0 0 283.396 3.895 50 30 CHEARN N#CCC[C@@H](C#N)CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000028918539 256875198 /nfs/dbraw/zinc/87/51/98/256875198.db2.gz MSTOYVNTAJYNRW-BBRMVZONSA-N 0 0 287.794 3.920 50 30 CHEARN Cc1ccc(/C=C2/COc3ccccc3C2=O)c(C)c1 ZINC000096401289 256889952 /nfs/dbraw/zinc/88/99/52/256889952.db2.gz IEYNDNDLCUSUQD-GDNBJRDFSA-N 0 0 264.324 3.962 50 30 CHEARN N#CCc1ccc(NCc2ccccc2-n2cccn2)cc1 ZINC000095467209 184995133 /nfs/dbraw/zinc/99/51/33/184995133.db2.gz NIZAMRKFWKVNCA-UHFFFAOYSA-N 0 0 288.354 3.550 50 30 CHEARN N#CCCCSCc1ncc(Cl)cc1Cl ZINC000191002922 130171432 /nfs/dbraw/zinc/17/14/32/130171432.db2.gz AHVMVHRUGIHDIH-UHFFFAOYSA-N 0 0 261.177 3.925 50 30 CHEARN Fc1ccc(/C=N/CC/N=C\c2ccc(F)cc2)cc1 ZINC000002147277 169776733 /nfs/dbraw/zinc/77/67/33/169776733.db2.gz BUVGSMGTCXQKPR-UHWBUFEVSA-N 0 0 272.298 3.503 50 30 CHEARN Cc1ccc(SN=C2C=C(C)C(=O)C(C)=C2)cc1 ZINC000003203240 169868039 /nfs/dbraw/zinc/86/80/39/169868039.db2.gz GKZSDTOLKZJAFO-UHFFFAOYSA-N 0 0 257.358 3.918 50 30 CHEARN N#Cc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000003219929 169868942 /nfs/dbraw/zinc/86/89/42/169868942.db2.gz APPTVBLYAHHDHZ-AUWJEWJLSA-N 0 0 280.714 3.704 50 30 CHEARN N#Cc1ccccc1CSc1ncnc2ccccc21 ZINC000003536683 169894950 /nfs/dbraw/zinc/89/49/50/169894950.db2.gz UGWQZOSGYBPIGW-UHFFFAOYSA-N 0 0 277.352 3.794 50 30 CHEARN Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(C#N)cc1 ZINC000004119251 169934966 /nfs/dbraw/zinc/93/49/66/169934966.db2.gz IOJVQAKNKOKNDN-LICLKQGHSA-N 0 0 265.272 3.526 50 30 CHEARN N#CCc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000004206747 169944372 /nfs/dbraw/zinc/94/43/72/169944372.db2.gz KKWHZLLDUUVCAT-UHFFFAOYSA-N 0 0 258.390 3.677 50 30 CHEARN Cc1c2ccc(OCC#N)cc2oc(=O)c1-c1ccccc1 ZINC000004340057 169959343 /nfs/dbraw/zinc/95/93/43/169959343.db2.gz FINLDXCYRXKLCE-UHFFFAOYSA-N 0 0 291.306 3.671 50 30 CHEARN CC[C@@H](C)NC(=NC(=O)c1ccccc1C)OCC(C)C ZINC000004589217 169987973 /nfs/dbraw/zinc/98/79/73/169987973.db2.gz XSJAGASBRIAZKV-CQSZACIVSA-N 0 0 290.407 3.552 50 30 CHEARN Cc1nc(N=NCc2ccccc2)cc(-c2ccccc2)n1 ZINC000004595544 169988460 /nfs/dbraw/zinc/98/84/60/169988460.db2.gz XKYHFCYLUGYBKZ-CPNJWEJPSA-N 0 0 288.354 3.898 50 30 CHEARN Oc1ccccc1/C=N/c1ncc(Cl)cc1Cl ZINC000004773559 170014779 /nfs/dbraw/zinc/01/47/79/170014779.db2.gz HFOQVUMVRUDHIH-GIDUJCDVSA-N 0 0 267.115 3.845 50 30 CHEARN CC(C)=NOC(=O)Nc1c(Cl)cccc1Cl ZINC000004794813 170018317 /nfs/dbraw/zinc/01/83/17/170018317.db2.gz QEFWUVHKCIDGQW-UHFFFAOYSA-N 0 0 261.108 3.938 50 30 CHEARN CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(F)cc2)c1 ZINC000004823210 170023875 /nfs/dbraw/zinc/02/38/75/170023875.db2.gz GRFCLYLDLHMARH-JXMROGBWSA-N 0 0 283.302 3.680 50 30 CHEARN C=CCOc1cccc(C(=O)Nc2ccccc2F)c1 ZINC000004843159 170028771 /nfs/dbraw/zinc/02/87/71/170028771.db2.gz CDAQHQXRERONDS-UHFFFAOYSA-N 0 0 271.291 3.643 50 30 CHEARN N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2)c(F)c1 ZINC000004869138 170034269 /nfs/dbraw/zinc/03/42/69/170034269.db2.gz XSVUEFZQUHALCO-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1NC1CCCCCC1 ZINC000004905903 170039272 /nfs/dbraw/zinc/03/92/72/170039272.db2.gz GMYQFWCCTIYLPJ-UHFFFAOYSA-N 0 0 259.309 3.601 50 30 CHEARN C[C@@H]1CCc2sc(-c3nnc(SCC#N)o3)cc2C1 ZINC000004937690 170042501 /nfs/dbraw/zinc/04/25/01/170042501.db2.gz IETFQRWBQYMGHW-MRVPVSSYSA-N 0 0 291.401 3.539 50 30 CHEARN COc1ccc(C=NNc2ccc3ccccc3n2)cc1 ZINC000004982162 170048675 /nfs/dbraw/zinc/04/86/75/170048675.db2.gz PLLLTPNUUSLCMD-LDADJPATSA-N 0 0 277.327 3.689 50 30 CHEARN Cc1cc(C)c(CN=Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000004990192 170050736 /nfs/dbraw/zinc/05/07/36/170050736.db2.gz PPYPIHAWMTUGMS-YVLHZVERSA-N 0 0 283.331 3.966 50 30 CHEARN O=C1CCCCC1=CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004996114 170051621 /nfs/dbraw/zinc/05/16/21/170051621.db2.gz PIKVKWLLADSDPJ-CMDGGOBGSA-N 0 0 280.711 3.687 50 30 CHEARN CCO/N=C1\C[C@H](C)Cc2nnc(-c3ccc(C)cc3)cc21 ZINC000005194958 170075528 /nfs/dbraw/zinc/07/55/28/170075528.db2.gz QRTPZXZLQCYUOQ-WMOYVWFSSA-N 0 0 295.386 3.775 50 30 CHEARN CCOc1cccc(/C=N/c2ccc(C)c(F)c2)c1O ZINC000005287737 170083247 /nfs/dbraw/zinc/08/32/47/170083247.db2.gz LQWFOURKGRXXDD-VCHYOVAHSA-N 0 0 273.307 3.989 50 30 CHEARN C/C=C/C=C/C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000005504796 170105609 /nfs/dbraw/zinc/10/56/09/170105609.db2.gz QKAJYOQVVOGJDT-XPQLPGEHSA-N 0 0 286.400 3.959 50 30 CHEARN C=CCn1c(Cc2cccc3ccccc32)n[nH]c1=S ZINC000005685797 170128860 /nfs/dbraw/zinc/12/88/60/170128860.db2.gz OPLXIHRJLATBRU-UHFFFAOYSA-N 0 0 281.384 3.871 50 30 CHEARN CC[C@H]1CSC(Nc2cccc(C(F)(F)F)c2)=N1 ZINC000005719158 170132836 /nfs/dbraw/zinc/13/28/36/170132836.db2.gz AWXKNVOWWOPEHD-VIFPVBQESA-N 0 0 274.311 3.808 50 30 CHEARN C=CCNc1nnc(S[C@H](C)c2ccccc2)s1 ZINC000005782953 170140039 /nfs/dbraw/zinc/14/00/39/170140039.db2.gz APYSLFUWNLYWFQ-SNVBAGLBSA-N 0 0 277.418 3.989 50 30 CHEARN Cc1ccc(C2=NN/C(=N\c3ccc(F)cc3)SC2)cc1 ZINC000005866275 170148547 /nfs/dbraw/zinc/14/85/47/170148547.db2.gz YAIWJNKNIDSWCJ-UHFFFAOYSA-N 0 0 299.374 3.862 50 30 CHEARN CSc1cc(-c2ccc(Cl)cc2)oc(=O)c1C#N ZINC000005919136 170155446 /nfs/dbraw/zinc/15/54/46/170155446.db2.gz DSLIJABHAVBSDV-UHFFFAOYSA-N 0 0 277.732 3.554 50 30 CHEARN N#C[C@H]1c2ccccc2C=CN1C(=O)/C=C/c1ccccc1 ZINC000005946207 170160611 /nfs/dbraw/zinc/16/06/11/170160611.db2.gz HMBJFHBGJSBPCS-ZGKFYVQTSA-N 0 0 286.334 3.778 50 30 CHEARN N#Cc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000006287490 170188407 /nfs/dbraw/zinc/18/84/07/170188407.db2.gz ABHJLDDCKWKRNR-UHFFFAOYSA-N 0 0 290.244 3.829 50 30 CHEARN CSc1ccc(CN(C)C(=O)c2cccc(C#N)c2)cc1 ZINC000006309786 170190137 /nfs/dbraw/zinc/19/01/37/170190137.db2.gz IBIWANJEXLBMKU-UHFFFAOYSA-N 0 0 296.395 3.552 50 30 CHEARN N#Cc1c(N)n(-c2ccccc2)c(=S)c2c1CCCC2 ZINC000006549178 170212032 /nfs/dbraw/zinc/21/20/32/170212032.db2.gz JUPIDLYUQINAID-UHFFFAOYSA-N 0 0 281.384 3.539 50 30 CHEARN COc1ccc2c(c1)CC/C(=C/c1ccc(C#N)cc1)C2=O ZINC000006646654 170221697 /nfs/dbraw/zinc/22/16/97/170221697.db2.gz IIDKNUHFKDAWNT-YBEGLDIGSA-N 0 0 289.334 3.779 50 30 CHEARN C=CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1 ZINC000006697509 170226770 /nfs/dbraw/zinc/22/67/70/170226770.db2.gz DIEQOSBXUNYSPY-UHFFFAOYSA-N 0 0 283.327 3.512 50 30 CHEARN C=CCOc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000006702208 170229704 /nfs/dbraw/zinc/22/97/04/170229704.db2.gz DQNDNCRYHAGYPQ-UHFFFAOYSA-N 0 0 271.291 3.643 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)s1 ZINC000006788918 170244212 /nfs/dbraw/zinc/24/42/12/170244212.db2.gz PGSFPCJCBAQZAV-HWKANZROSA-N 0 0 272.325 3.681 50 30 CHEARN Fc1ccc(NC(=NC2CC2)c2ccccc2)cc1 ZINC000006850741 170248957 /nfs/dbraw/zinc/24/89/57/170248957.db2.gz AEUCJDLLTCWJNK-UHFFFAOYSA-N 0 0 254.308 3.847 50 30 CHEARN Cc1cccc(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1C ZINC000007042176 170263941 /nfs/dbraw/zinc/26/39/41/170263941.db2.gz ZSHZVPHBBINSCR-AWEZNQCLSA-N 0 0 293.370 3.614 50 30 CHEARN Cn1c2ccccc2nc1SCc1ccccc1C#N ZINC000007153983 170268837 /nfs/dbraw/zinc/26/88/37/170268837.db2.gz ADMHJBLNUGZHPE-UHFFFAOYSA-N 0 0 279.368 3.737 50 30 CHEARN N#Cc1cccc(OCc2ncc(-c3ccccc3)o2)c1 ZINC000007393606 170282549 /nfs/dbraw/zinc/28/25/49/170282549.db2.gz GXUGRIKDHCSYFY-UHFFFAOYSA-N 0 0 276.295 3.792 50 30 CHEARN C[C@H](SC1CCCCC1)C(=O)Nc1cccc(C#N)c1 ZINC000007602962 170292615 /nfs/dbraw/zinc/29/26/15/170292615.db2.gz LVDCHOUYNASRGZ-LBPRGKRZSA-N 0 0 288.416 3.951 50 30 CHEARN N#Cc1c(F)cccc1Oc1ccc2ccc(=O)oc2c1 ZINC000007779813 170302072 /nfs/dbraw/zinc/30/20/72/170302072.db2.gz WXZVHPUGFLDBCF-UHFFFAOYSA-N 0 0 281.242 3.596 50 30 CHEARN N#Cc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000007986533 170312132 /nfs/dbraw/zinc/31/21/32/170312132.db2.gz IRVLTTAMTLHAAO-UHFFFAOYSA-N 0 0 290.244 3.829 50 30 CHEARN N#Cc1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1 ZINC000008061171 170317118 /nfs/dbraw/zinc/31/71/18/170317118.db2.gz FFIJCMLXVGDEEU-UHFFFAOYSA-N 0 0 276.339 3.689 50 30 CHEARN CCCCCCCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000008453335 170336543 /nfs/dbraw/zinc/33/65/43/170336543.db2.gz PKEGYAOXUOWKDY-UHFFFAOYSA-N 0 0 276.380 3.944 50 30 CHEARN N#Cc1ccccc1OCc1ncc(-c2ccccc2)o1 ZINC000008519039 170338667 /nfs/dbraw/zinc/33/86/67/170338667.db2.gz TUVNVYFVQAWWLU-UHFFFAOYSA-N 0 0 276.295 3.792 50 30 CHEARN CC1(C)CC(=O)C=C(NCCc2ccc(Cl)cc2)C1 ZINC000008556276 170340196 /nfs/dbraw/zinc/34/01/96/170340196.db2.gz RNGIJUGIPPUZRJ-UHFFFAOYSA-N 0 0 277.795 3.745 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)cc1F ZINC000008919711 170358962 /nfs/dbraw/zinc/35/89/62/170358962.db2.gz KRIUHXZEXGDZPK-SOFGYWHQSA-N 0 0 281.286 3.602 50 30 CHEARN COc1cccc2cc(C(=O)Nc3sccc3C#N)oc21 ZINC000008960622 170360055 /nfs/dbraw/zinc/36/00/55/170360055.db2.gz AZBMOOTWIOCIFV-UHFFFAOYSA-N 0 0 298.323 3.627 50 30 CHEARN C=CCOc1cccc(NC(=O)c2ccccc2C)c1 ZINC000009426005 170376286 /nfs/dbraw/zinc/37/62/86/170376286.db2.gz SUGZHKJUUJBEAD-UHFFFAOYSA-N 0 0 267.328 3.812 50 30 CHEARN C=CCOc1ccccc1NC(=O)c1ccc(OCC)cc1 ZINC000009815624 170386104 /nfs/dbraw/zinc/38/61/04/170386104.db2.gz LCVNUPHNLOYPBB-UHFFFAOYSA-N 0 0 297.354 3.902 50 30 CHEARN N#C[C@]1(c2nc3ccccc3[nH]2)C[C@@H]1c1ccc(F)cc1 ZINC000009913650 170390603 /nfs/dbraw/zinc/39/06/03/170390603.db2.gz WUYPQYUYTSTNLP-CXAGYDPISA-N 0 0 277.302 3.651 50 30 CHEARN Cc1sc2ncnc(SCCCC#N)c2c1C ZINC000010218895 170401245 /nfs/dbraw/zinc/40/12/45/170401245.db2.gz BWSKJZFYJOELTD-UHFFFAOYSA-N 0 0 263.391 3.704 50 30 CHEARN C=CCOc1ccc([C@H]2CC(=O)Nc3ccsc32)cc1 ZINC000012363615 170479876 /nfs/dbraw/zinc/47/98/76/170479876.db2.gz JGIFVNZRYLZQRN-CYBMUJFWSA-N 0 0 285.368 3.787 50 30 CHEARN C=CCOc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1 ZINC000012979545 170524731 /nfs/dbraw/zinc/52/47/31/170524731.db2.gz QQWDIEGAETYVAX-FOWTUZBSSA-N 0 0 277.323 3.744 50 30 CHEARN C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000013476510 170554509 /nfs/dbraw/zinc/55/45/09/170554509.db2.gz WPEWLGPWIZTGLS-DHZHZOJOSA-N 0 0 295.816 3.727 50 30 CHEARN CC(=O)CCc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000015022161 170654657 /nfs/dbraw/zinc/65/46/57/170654657.db2.gz LMGZYASSQMSMDP-UHFFFAOYSA-N 0 0 265.312 3.872 50 30 CHEARN CCOc1ccc(N=Cc2n[nH]nc2-c2ccccc2)cc1 ZINC000018032551 170740540 /nfs/dbraw/zinc/74/05/40/170740540.db2.gz QSAVHDYAPVUWHM-LDADJPATSA-N 0 0 292.342 3.621 50 30 CHEARN Cc1ccccc1N/N=C1\Sc2ccccc2C1=O ZINC000018152080 170744022 /nfs/dbraw/zinc/74/40/22/170744022.db2.gz OZBQXRUPNMIPQE-ICFOKQHNSA-N 0 0 268.341 3.709 50 30 CHEARN CN(C)c1ccc(/C=N/c2ccc(N(C)C)cc2)cc1 ZINC000018178842 170746158 /nfs/dbraw/zinc/74/61/58/170746158.db2.gz KAUNTOUDFKIOEK-QGOAFFKASA-N 0 0 267.376 3.569 50 30 CHEARN N#Cc1c(N)nc2c(c1-c1ccccc1Cl)CCCC2 ZINC000019608438 170830659 /nfs/dbraw/zinc/83/06/59/170830659.db2.gz FOLRDBGNOAVIGJ-UHFFFAOYSA-N 0 0 283.762 3.735 50 30 CHEARN CCc1nc(N)c(C#N)c(-c2cccc(Cl)c2)c1C ZINC000020389428 171178359 /nfs/dbraw/zinc/17/83/59/171178359.db2.gz XDQZMNJNEPZOBF-UHFFFAOYSA-N 0 0 271.751 3.727 50 30 CHEARN CCCc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1CC ZINC000020842152 171275492 /nfs/dbraw/zinc/27/54/92/171275492.db2.gz QJDLOOZPSGUTBR-UHFFFAOYSA-N 0 0 295.386 3.726 50 30 CHEARN C=C(C)Cn1c(CN2CCCCC2)nc2ccccc21 ZINC000021783123 171322552 /nfs/dbraw/zinc/32/25/52/171322552.db2.gz BADCRYGYEFGNPZ-UHFFFAOYSA-N 0 0 269.392 3.598 50 30 CHEARN N#CCc1c[nH]c2cccc(OCc3ccccc3)c12 ZINC000022116256 171353417 /nfs/dbraw/zinc/35/34/17/171353417.db2.gz OCROQGOQZBRSBQ-UHFFFAOYSA-N 0 0 262.312 3.813 50 30 in-vitro CHEARN CC(C)(C)CC(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000041555293 174566988 /nfs/dbraw/zinc/56/69/88/174566988.db2.gz VHJXXGUYJOXZLO-SNVBAGLBSA-N 0 0 284.281 3.713 50 30 CHEARN C[C@H]1C[C@H]1c1ccc(CN(c2ccc(C#N)cn2)C2CC2)o1 ZINC000042103230 174637510 /nfs/dbraw/zinc/63/75/10/174637510.db2.gz HSQLCJHPFQYRRD-BLLLJJGKSA-N 0 0 293.370 3.839 50 30 CHEARN N#Cc1c(CN(Cc2ccco2)C2CC2)cn2ccccc12 ZINC000043783190 175105607 /nfs/dbraw/zinc/10/56/07/175105607.db2.gz MWHIOOXSMNPYBM-UHFFFAOYSA-N 0 0 291.354 3.569 50 30 CHEARN CC1CCC(Nc2snc(Cl)c2C#N)CC1 ZINC000047405235 175407753 /nfs/dbraw/zinc/40/77/53/175407753.db2.gz VCDJGKMLPDUERK-UHFFFAOYSA-N 0 0 255.774 3.659 50 30 CHEARN N#Cc1cc(F)c(NCc2ccc(F)cc2)c(F)c1 ZINC000058054014 175607378 /nfs/dbraw/zinc/60/73/78/175607378.db2.gz QRAANQNKKRNZRA-UHFFFAOYSA-N 0 0 262.234 3.588 50 30 CHEARN N#Cc1c(F)cccc1NCc1csc(C2CC2)n1 ZINC000071902786 176294396 /nfs/dbraw/zinc/29/43/96/176294396.db2.gz BDFQCYGTJDZKEQ-UHFFFAOYSA-N 0 0 273.336 3.643 50 30 CHEARN N#Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000024231707 260127515 /nfs/dbraw/zinc/12/75/15/260127515.db2.gz JPXIORIYKBSQLA-DJIMGWMZSA-N 0 0 282.387 3.647 50 30 CHEARN Cc1ccc([C@@H]2CCCN2c2ccc(C#N)cn2)cc1 ZINC000024754262 260128232 /nfs/dbraw/zinc/12/82/32/260128232.db2.gz PLPXHHKNVBLBDO-INIZCTEOSA-N 0 0 263.344 3.603 50 30 CHEARN C=CCn1c(C)nnc1SC/C=C/c1ccccc1 ZINC000040159095 260137455 /nfs/dbraw/zinc/13/74/55/260137455.db2.gz YJXFSBKLTXPTCG-JXMROGBWSA-N 0 0 271.389 3.578 50 30 CHEARN Cc1ccc(NC2=C([N+](=O)[O-])CCCC2)cc1Cl ZINC000043761390 263296269 /nfs/dbraw/zinc/29/62/69/263296269.db2.gz OBOCZZWCJFVCIR-UESPBHMZSA-N 0 0 266.728 3.940 50 30 CHEARN Cc1ccsc1[C@@H]1CC(=O)OC2=C1C(=O)CC(C)(C)C2 ZINC000001422978 326794463 /nfs/dbraw/zinc/79/44/63/326794463.db2.gz HOMDTHLAZPJLIY-SNVBAGLBSA-N 0 0 290.384 3.730 50 30 CHEARN N#Cc1cccc(C(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000029797034 326884325 /nfs/dbraw/zinc/88/43/25/326884325.db2.gz YDLFZUWQFWOSFN-CQSZACIVSA-N 0 0 282.368 3.597 50 30 CHEARN N#Cc1cccc(-c2nccn2-c2ccc(F)c(F)c2F)c1 ZINC000072438794 327110627 /nfs/dbraw/zinc/11/06/27/327110627.db2.gz BGUGRTNWPVUUFB-UHFFFAOYSA-N 0 0 299.255 3.828 50 30 CHEARN N#Cc1ccc(N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000160641298 330870686 /nfs/dbraw/zinc/87/06/86/330870686.db2.gz VAUJMASMFMVLML-ZWKOTPCHSA-N 0 0 278.355 3.890 50 30 CHEARN CCCCCCCCCC(=O)NCc1cccnc1 ZINC000100720122 519978236 /nfs/dbraw/zinc/97/82/36/519978236.db2.gz WQWJOLZCDGNAKF-UHFFFAOYSA-N 0 0 262.397 3.839 50 30 CHEARN CC(C)(C)OC(=O)Nc1cccnc1C#C[Si](C)(C)C ZINC000202949006 526497612 /nfs/dbraw/zinc/49/76/12/526497612.db2.gz ZPNQHCPSZKLEMS-UHFFFAOYSA-N 0 0 290.439 3.658 50 30 CHEARN C=C(Cl)CSc1nnc(-c2ccc(OC)cc2)o1 ZINC000013010019 526890846 /nfs/dbraw/zinc/89/08/46/526890846.db2.gz BPAZQDITJJMMII-UHFFFAOYSA-N 0 0 282.752 3.590 50 30 CHEARN CCOC1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000077932266 535399581 /nfs/dbraw/zinc/39/95/81/535399581.db2.gz UORBCIVOTQXQBU-UHFFFAOYSA-N 0 0 298.308 3.582 50 30 CHEARN C=CCNC(=O)N(CC(C)C)[C@@H](CC)c1ccccc1 ZINC000084734638 566886972 /nfs/dbraw/zinc/88/69/72/566886972.db2.gz LCPLKUVETJLTAP-INIZCTEOSA-N 0 0 274.408 3.991 50 30 CHEARN CCOC1=CC(=O)[C@H]([C@H](OC)C2([Si](C)(C)C)CC2)CC1 ZINC000169829318 566920642 /nfs/dbraw/zinc/92/06/42/566920642.db2.gz CPEKADFKQMEUQS-HIFRSBDPSA-N 0 0 296.483 3.773 50 30 CHEARN CC(C)Cc1nc(Cl)c(C#N)c2c1COC(C)(C)C2 ZINC000000495005 570283001 /nfs/dbraw/zinc/28/30/01/570283001.db2.gz OVYOGGOEOZNTMY-UHFFFAOYSA-N 0 0 278.783 3.656 50 30 CHEARN C=CCc1cccc(C=Nc2ccccc2O)c1O ZINC000254759725 566833664 /nfs/dbraw/zinc/83/36/64/566833664.db2.gz YFCZBGFJBGKBMI-UHFFFAOYSA-N 0 0 253.301 3.577 50 30 CHEARN O=C(CN=C1CCc2ccccc2N1)c1ccc(Cl)cc1 ZINC000001269657 566860551 /nfs/dbraw/zinc/86/05/51/566860551.db2.gz YKCQDQMOUWSTAH-UHFFFAOYSA-N 0 0 298.773 3.980 50 30 CHEARN O=C(/C=C1/C(=O)Nc2ccccc21)c1ccc(Cl)cc1 ZINC000032169772 566866259 /nfs/dbraw/zinc/86/62/59/566866259.db2.gz XGBNPLHPMFBPJP-UKTHLTGXSA-N 0 0 283.714 3.558 50 30 CHEARN C=CCNC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000072446936 566866418 /nfs/dbraw/zinc/86/64/18/566866418.db2.gz CPLHWLRBXPCUIU-UHFFFAOYSA-N 0 0 251.285 3.502 50 30 CHEARN O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(Cl)cc1 ZINC000001389317 566868564 /nfs/dbraw/zinc/86/85/64/566868564.db2.gz QZHVIBAUHZWGCS-GJZGRUSLSA-N 0 0 258.704 3.663 50 30 CHEARN N#Cc1c(Cl)cccc1[C@@H](C#N)c1ccccc1 ZINC000001391587 566869078 /nfs/dbraw/zinc/86/90/78/566869078.db2.gz BEFBWKMQJBJPAA-ZDUSSCGKSA-N 0 0 252.704 3.867 50 30 CHEARN COc1ccnc(Oc2ccc3ccccc3c2)c1C#N ZINC000001398110 566871097 /nfs/dbraw/zinc/87/10/97/566871097.db2.gz HDKIPAMZAQSHAT-UHFFFAOYSA-N 0 0 276.295 3.907 50 30 CHEARN CC(=O)/C=C/c1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1 ZINC000001395631 566871921 /nfs/dbraw/zinc/87/19/21/566871921.db2.gz RGBOPNDNTJZVND-SCPMJEMWSA-N 0 0 298.298 3.664 50 30 CHEARN N#Cc1ccc(N[C@H](c2ccccc2)c2ccccn2)nc1 ZINC000012740674 566874208 /nfs/dbraw/zinc/87/42/08/566874208.db2.gz YXOUWIQPXHKFQH-GOSISDBHSA-N 0 0 286.338 3.550 50 30 CHEARN Cc1ccc([C@H](O)C#CC23CC4CC(CC(C4)C2)C3)o1 ZINC000004380969 566888683 /nfs/dbraw/zinc/88/86/83/566888683.db2.gz HYODVVRRWSNWAS-QFQXCOSMSA-N 0 0 270.372 3.841 50 30 CHEARN C=C(C)Cn1c2ccccc2nc1[C@H](C)NC(=O)C(C)(C)C ZINC000016902425 566897930 /nfs/dbraw/zinc/89/79/30/566897930.db2.gz MHWCGYOOSSFIHE-ZDUSSCGKSA-N 0 0 299.418 3.836 50 30 CHEARN C=CCN(CC=C)C(=O)Nc1ccc(Cl)cc1C ZINC000000395225 566899624 /nfs/dbraw/zinc/89/96/24/566899624.db2.gz SKMCTYHKZASIGT-UHFFFAOYSA-N 0 0 264.756 3.854 50 30 CHEARN C=CCOc1c(C)c2oc(=O)cc(C)c2cc1C(=O)CC ZINC000002180730 566903066 /nfs/dbraw/zinc/90/30/66/566903066.db2.gz QUJOFUVTYQQBLC-UHFFFAOYSA-N 0 0 286.327 3.567 50 30 CHEARN C=C[C@@]12CC[C@@H](C[C@@H]1OC(=O)C(=O)c1ccccc1)C2(C)C ZINC000101083812 566918522 /nfs/dbraw/zinc/91/85/22/566918522.db2.gz YMQSBRVEMYWDGL-YZVOILCLSA-N 0 0 298.382 3.793 50 30 CHEARN O=[N+]([O-])c1cccc(C=Nc2ccccc2Cl)c1 ZINC000254594710 566923664 /nfs/dbraw/zinc/92/36/64/566923664.db2.gz XCXWVLZKJOGFTE-UHFFFAOYSA-N 0 0 260.680 3.999 50 30 CHEARN Cc1csc([C@H](C#N)C(=O)C(C)(C)c2ccc(C)cc2)n1 ZINC000075127439 566936123 /nfs/dbraw/zinc/93/61/23/566936123.db2.gz SSJBPLJXJYGCPO-CQSZACIVSA-N 0 0 298.411 3.914 50 30 CHEARN N#Cc1c(-c2ccccc2)c[nH]c1NC(=O)c1ccccc1 ZINC000075279731 566939777 /nfs/dbraw/zinc/93/97/77/566939777.db2.gz FWUQBACYEVPPGJ-UHFFFAOYSA-N 0 0 287.322 3.806 50 30 CHEARN N#CC1(C#N)[C@H](C(=O)c2ccccc2)C12CCCCCC2 ZINC000075270179 566941024 /nfs/dbraw/zinc/94/10/24/566941024.db2.gz ACONXONDFMARBD-MRXNPFEDSA-N 0 0 278.355 3.873 50 30 CHEARN C#CC[C@]1(O)c2ccccc2CSc2ccccc21 ZINC000006261681 566948110 /nfs/dbraw/zinc/94/81/10/566948110.db2.gz QQBLSYBHBIISCD-KRWDZBQOSA-N 0 0 266.365 3.552 50 30 CHEARN N#Cc1ccc(CN(Cc2ccco2)Cc2ccco2)cc1 ZINC000013013074 566958988 /nfs/dbraw/zinc/95/89/88/566958988.db2.gz QOSGOUMGAIXUOS-UHFFFAOYSA-N 0 0 292.338 3.947 50 30 CHEARN CC(=O)c1cc(C(=O)C=Cc2ccc(O)cc2)c(C)nc1C ZINC000219596856 566959116 /nfs/dbraw/zinc/95/91/16/566959116.db2.gz QKPVLCOZOMWWID-TWGQIWQCSA-N 0 0 295.338 3.503 50 30 CHEARN N#CCCCOc1cccc(/C=C/c2ccc(C#N)cn2)c1 ZINC000171148977 566959256 /nfs/dbraw/zinc/95/92/56/566959256.db2.gz FSMZWKXIXRCGGD-SOFGYWHQSA-N 0 0 289.338 3.806 50 30 CHEARN CC(=NO)c1ccc(OCc2ccc(C)cc2)cc1 ZINC000242688601 566968046 /nfs/dbraw/zinc/96/80/46/566968046.db2.gz VUPMGBCXJDFDLS-UHFFFAOYSA-N 0 0 255.317 3.772 50 30 CHEARN CCc1ccc2ncc(C#N)c(N3CCCCC3)c2c1 ZINC000064438750 566977490 /nfs/dbraw/zinc/97/74/90/566977490.db2.gz XTRVVNAKUQPNRY-UHFFFAOYSA-N 0 0 265.360 3.659 50 30 CHEARN Cc1cc(C)c(C(=O)C=Cc2ccccc2Cl)c(=O)[nH]1 ZINC000003996191 567019460 /nfs/dbraw/zinc/01/94/60/567019460.db2.gz RUIWMIOHQYLPEX-BQYQJAHWSA-N 0 0 287.746 3.541 50 30 CHEARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(C#N)cc2)C1(C)C ZINC000027151128 567047703 /nfs/dbraw/zinc/04/77/03/567047703.db2.gz UOKKAUAYENYROU-GJZGRUSLSA-N 0 0 268.360 3.735 50 30 CHEARN CCOc1ccccc1C=Nc1ccc(OC)cc1 ZINC000252462297 567051122 /nfs/dbraw/zinc/05/11/22/567051122.db2.gz RHWAFMJQRLCTII-UHFFFAOYSA-N 0 0 255.317 3.845 50 30 CHEARN Cc1ccc(C=Nc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000252462778 567051938 /nfs/dbraw/zinc/05/19/38/567051938.db2.gz WEIHDHSKOCZGJI-UHFFFAOYSA-N 0 0 264.668 3.900 50 30 CHEARN CC(=NOC(=O)Nc1ccccc1)c1ccc(C)cc1 ZINC000252606833 567064933 /nfs/dbraw/zinc/06/49/33/567064933.db2.gz GVYIAPIMWSHHBL-UHFFFAOYSA-N 0 0 268.316 3.968 50 30 CHEARN Cc1ccc(C=Nc2sc3c(c2C#N)CCC3)o1 ZINC000252605836 567066207 /nfs/dbraw/zinc/06/62/07/567066207.db2.gz GNFNGZPSNUXQKP-UHFFFAOYSA-N 0 0 256.330 3.761 50 30 CHEARN Cc1ccc(NC(=O)ON=Cc2ccc(F)cc2)cc1 ZINC000252622454 567068150 /nfs/dbraw/zinc/06/81/50/567068150.db2.gz NVQONXZSWWCABJ-UHFFFAOYSA-N 0 0 272.279 3.717 50 30 CHEARN CCOc1ccc(C=NOC(=O)/C=C/c2ccccc2)cc1 ZINC000252613699 567068159 /nfs/dbraw/zinc/06/81/59/567068159.db2.gz JCUUFOJYTJIZBH-FFJIKSGMSA-N 0 0 295.338 3.676 50 30 CHEARN Cc1cc(C)cc(NC(=O)Nc2ccc(C#N)cc2)c1 ZINC000000151598 567102407 /nfs/dbraw/zinc/10/24/07/567102407.db2.gz AHYUDLFTLDWSTB-UHFFFAOYSA-N 0 0 265.316 3.819 50 30 CHEARN Cc1ccsc1C=Nc1ccc(Br)cn1 ZINC000253618421 567103893 /nfs/dbraw/zinc/10/38/93/567103893.db2.gz BCECWVLJWWZHSU-UHFFFAOYSA-N 0 0 281.178 3.965 50 30 CHEARN O=C(C[C@H](c1ncc[nH]1)c1ccccc1)NC1CCCC1 ZINC000328592644 567118817 /nfs/dbraw/zinc/11/88/17/567118817.db2.gz RZTBFDQFYHKNNS-HNNXBMFYSA-N 0 0 283.375 3.831 50 30 CHEARN C=CC(=O)N[C@H](c1ccco1)c1ccccc1OC ZINC000328599764 567119682 /nfs/dbraw/zinc/11/96/82/567119682.db2.gz TYOIIGXGEHFEME-HNNXBMFYSA-N 0 0 257.289 3.520 50 30 CHEARN CC1(C)CCCN(C(=O)CCCc2cccs2)[C@@H]1C#N ZINC000277919289 567123630 /nfs/dbraw/zinc/12/36/30/567123630.db2.gz MZKTXLPCGQRPMQ-CQSZACIVSA-N 0 0 290.432 3.612 50 30 CHEARN N#Cc1cccc(NCc2cc(Cl)ccc2O)c1 ZINC000019922226 567125633 /nfs/dbraw/zinc/12/56/33/567125633.db2.gz ZJCASGSBHJAIBA-UHFFFAOYSA-N 0 0 258.708 3.529 50 30 CHEARN C[C@H](C#N)CNC(=O)Nc1cccc(-c2ccsc2)c1 ZINC000095410886 567129220 /nfs/dbraw/zinc/12/92/20/567129220.db2.gz BBSXBXSELNKIPQ-LLVKDONJSA-N 0 0 285.372 3.696 50 30 CHEARN C=CCn1c(SCc2ccc(C#N)cc2)nnc1C1CC1 ZINC000020969848 567136663 /nfs/dbraw/zinc/13/66/63/567136663.db2.gz JPQALFZEYVZSDB-UHFFFAOYSA-N 0 0 296.399 3.505 50 30 CHEARN CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000097220157 567144017 /nfs/dbraw/zinc/14/40/17/567144017.db2.gz WYZVUDUHANCNDE-TWGQIWQCSA-N 0 0 299.330 3.512 50 30 CHEARN N#Cc1cnn2c1nccc2-c1cc(Cl)cc(Cl)c1 ZINC000002788325 567153468 /nfs/dbraw/zinc/15/34/68/567153468.db2.gz KTRMTBQVFYBJPP-UHFFFAOYSA-N 0 0 289.125 3.575 50 30 CHEARN C=CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S ZINC000003030851 567157533 /nfs/dbraw/zinc/15/75/33/567157533.db2.gz HQAPTMXZAAHKIO-FLIBITNWSA-N 0 0 295.816 3.727 50 30 CHEARN N#Cc1ccc(COc2cccc3cccnc32)cc1 ZINC000003286305 567168631 /nfs/dbraw/zinc/16/86/31/567168631.db2.gz XSFRFSZCFKYBAZ-UHFFFAOYSA-N 0 0 260.296 3.685 50 30 CHEARN Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1Cl ZINC000003518708 567175672 /nfs/dbraw/zinc/17/56/72/567175672.db2.gz PZINCBYURBFAFI-UHFFFAOYSA-N 0 0 270.719 3.772 50 30 CHEARN N#CCOC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000003543780 567179059 /nfs/dbraw/zinc/17/90/59/567179059.db2.gz IEILIOJFDVFOTE-UHFFFAOYSA-N 0 0 295.216 3.646 50 30 CHEARN Cc1csc(N=NCc2cccc(Br)c2)n1 ZINC000003958946 567181090 /nfs/dbraw/zinc/18/10/90/567181090.db2.gz JNDXPJUBHZOVGF-AWNIVKPZSA-N 0 0 296.193 3.660 50 30 CHEARN N=C1NC(=Nc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000004003453 567182028 /nfs/dbraw/zinc/18/20/28/567182028.db2.gz ARUIOXRWYYNHNS-UHFFFAOYSA-N 0 0 289.260 3.503 50 30 CHEARN N#Cc1c(=O)n(C2CC2)c(-c2ccccc2)c2c1CCCC2 ZINC000067257803 567194967 /nfs/dbraw/zinc/19/49/67/567194967.db2.gz HNVKJELQSYATMX-UHFFFAOYSA-N 0 0 290.366 3.601 50 30 CHEARN C=CCNC(=O)CCc1cccc(Oc2ccc(F)cc2)c1 ZINC000038679530 567195239 /nfs/dbraw/zinc/19/52/39/567195239.db2.gz QJLLWGKISNNQAH-UHFFFAOYSA-N 0 0 299.345 3.853 50 30 CHEARN Brc1ccc(/C=N/c2ccccn2)s1 ZINC000000046285 567816879 /nfs/dbraw/zinc/81/68/79/567816879.db2.gz VFIVEAFGUUWUON-NTUHNPAUSA-N 0 0 267.151 3.656 50 30 CHEARN Cc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(C#N)cc1 ZINC000000065572 567817494 /nfs/dbraw/zinc/81/74/94/567817494.db2.gz VZGNZERMIVFIHU-LICLKQGHSA-N 0 0 265.272 3.526 50 30 CHEARN Oc1ccc(Cl)cc1/C=N/Cc1cccs1 ZINC000000099805 567818336 /nfs/dbraw/zinc/81/83/36/567818336.db2.gz ABARQODSRNZHTL-VGOFMYFVSA-N 0 0 251.738 3.726 50 30 CHEARN O=C1CCCC2=C1[C@H](c1ccncc1)Nc1ccccc1N2 ZINC000000107423 567818417 /nfs/dbraw/zinc/81/84/17/567818417.db2.gz IQXQZEYNEDCXDV-SFHVURJKSA-N 0 0 291.354 3.667 50 30 CHEARN N#CCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000000121996 567819218 /nfs/dbraw/zinc/81/92/18/567819218.db2.gz GRFUDFKHKUZNJN-UHFFFAOYSA-N 0 0 278.233 3.959 50 30 CHEARN Cc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000000136785 567819788 /nfs/dbraw/zinc/81/97/88/567819788.db2.gz WEIHDHSKOCZGJI-VGOFMYFVSA-N 0 0 264.668 3.900 50 30 CHEARN CCOc1ccccc1NC(=O)Nc1ccc(CC#N)cc1 ZINC000000151581 567820307 /nfs/dbraw/zinc/82/03/07/567820307.db2.gz PKVLZGUUODHSSR-UHFFFAOYSA-N 0 0 295.342 3.795 50 30 CHEARN O=C1CC(c2ccccc2)CC(=O)C1=CNc1ccccc1 ZINC000000198779 567822138 /nfs/dbraw/zinc/82/21/38/567822138.db2.gz JFLLJQLFNVEAIH-UHFFFAOYSA-N 0 0 291.350 3.698 50 30 CHEARN CC(=O)C(=Cc1ccc(-c2ccccc2)o1)C(C)=O ZINC000000284887 567823947 /nfs/dbraw/zinc/82/39/47/567823947.db2.gz FKGNTDNHUKGFOJ-UHFFFAOYSA-N 0 0 254.285 3.508 50 30 CHEARN C=C1CCc2c3cc(OCC(C)C)ccc3[nH]c2C1=O ZINC000000442831 567830451 /nfs/dbraw/zinc/83/04/51/567830451.db2.gz ZWJPRXUXVGPEJZ-UHFFFAOYSA-N 0 0 269.344 3.888 50 30 CHEARN Fc1ccc(CNC(=S)Nc2ccccc2F)cc1 ZINC000000453839 567830950 /nfs/dbraw/zinc/83/09/50/567830950.db2.gz WUYVEPLOPIOWLY-UHFFFAOYSA-N 0 0 278.327 3.863 50 30 CHEARN CC(=O)/C(=C\c1ccccc1)C(=O)Nc1ccccc1C ZINC000000465602 567831705 /nfs/dbraw/zinc/83/17/05/567831705.db2.gz YVTHQSTUWPWCFC-FOWTUZBSSA-N 0 0 279.339 3.606 50 30 CHEARN Cc1ccc([C@]2(CC#N)CCO[C@@H](C(C)C)C2)cc1 ZINC000000477145 567832457 /nfs/dbraw/zinc/83/24/57/567832457.db2.gz ZVDWJYFFCODMKL-IAGOWNOFSA-N 0 0 257.377 3.982 50 30 CHEARN Fc1ccc(/N=C/c2ccc3c(c2)OCO3)cc1Cl ZINC000000571195 567833736 /nfs/dbraw/zinc/83/37/36/567833736.db2.gz JEBONEKSBRBKNI-REZTVBANSA-N 0 0 277.682 3.958 50 30 CHEARN CCOc1ccccc1/C=N/c1cccc(OC)c1 ZINC000000587528 567833961 /nfs/dbraw/zinc/83/39/61/567833961.db2.gz VKRFFTOXVAMQPI-SFQUDFHCSA-N 0 0 255.317 3.845 50 30 CHEARN CC(=O)c1cccc(N=Cc2ccccc2[N+](=O)[O-])c1 ZINC000000587479 567834045 /nfs/dbraw/zinc/83/40/45/567834045.db2.gz IRTMJZAUDSFRRM-MHWRWJLKSA-N 0 0 268.272 3.548 50 30 CHEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(Cl)cc2)cc1 ZINC000000575382 567834048 /nfs/dbraw/zinc/83/40/48/567834048.db2.gz MMDWOLQSRQJUTB-OQLLNIDSSA-N 0 0 260.680 3.999 50 30 CHEARN COc1cccc(/C=N/c2cc(Cl)ccc2OC)c1O ZINC000002167390 567844755 /nfs/dbraw/zinc/84/47/55/567844755.db2.gz NBRPVVQMJHTZSD-RQZCQDPDSA-N 0 0 291.734 3.813 50 30 CHEARN C=CCSc1nc2sc3c(c2c(N)n1)C[C@H](C)CC3 ZINC000002592158 567848845 /nfs/dbraw/zinc/84/88/45/567848845.db2.gz XFNXFIJPOQACMU-MRVPVSSYSA-N 0 0 291.445 3.676 50 30 CHEARN COc1ccc(/N=N/c2sc(CC#N)nc2C)cc1 ZINC000003849312 567853973 /nfs/dbraw/zinc/85/39/73/567853973.db2.gz BBHPNOATWWBFDW-WUKNDPDISA-N 0 0 272.333 3.942 50 30 CHEARN C(=NN=c1[nH]c2ccccc2s1)c1ccccc1 ZINC000003913810 567854592 /nfs/dbraw/zinc/85/45/92/567854592.db2.gz WVRVVJMZWWJYEM-XNTDXEJSSA-N 0 0 253.330 3.742 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(C)cc2)cc1OC ZINC000004582559 567858527 /nfs/dbraw/zinc/85/85/27/567858527.db2.gz CVKZUSHLSUSKTM-POHAHGRESA-N 0 0 282.339 3.908 50 30 CHEARN CC(C)(C)c1csc(N=NCc2ccc(O)cc2)n1 ZINC000004672641 567858946 /nfs/dbraw/zinc/85/89/46/567858946.db2.gz XHBLIFOARKINLT-OVCLIPMQSA-N 0 0 275.377 3.592 50 30 CHEARN COc1cc(C=Nc2cc(C)ccc2C)ccc1O ZINC000254822307 567859445 /nfs/dbraw/zinc/85/94/45/567859445.db2.gz BZTDQYJCKYTHMO-UHFFFAOYSA-N 0 0 255.317 3.768 50 30 CHEARN N#Cc1sccc1C[S@@](=O)c1ccc(Cl)cc1 ZINC000012368901 567862759 /nfs/dbraw/zinc/86/27/59/567862759.db2.gz KXWRNNJWBRENRY-KRWDZBQOSA-N 0 0 281.789 3.581 50 30 CHEARN COc1cccc(/C=N/c2ccc3c(c2)CCC3)c1O ZINC000012475237 567863376 /nfs/dbraw/zinc/86/33/76/567863376.db2.gz ASFLQPSNVCRBOH-WOJGMQOQSA-N 0 0 267.328 3.640 50 30 CHEARN Cc1ccc([C@@H](C)NC(=O)c2cccc(C#N)c2)c(C)c1 ZINC000032610948 567864092 /nfs/dbraw/zinc/86/40/92/567864092.db2.gz MYUFDNWVTXFAAH-CQSZACIVSA-N 0 0 278.355 3.666 50 30 CHEARN C/C(=N\NC(=S)Nc1cccc(C)c1)c1ccccc1 ZINC000013478387 567866346 /nfs/dbraw/zinc/86/63/46/567866346.db2.gz MCJIXNUKGJCWRD-QGOAFFKASA-N 0 0 283.400 3.706 50 30 CHEARN C/C(=N\OC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000013556007 567866391 /nfs/dbraw/zinc/86/63/91/567866391.db2.gz USZMRMOXPZKKKA-XGSMPBFLSA-N 0 0 279.339 3.758 50 30 CHEARN N#Cc1ccc(Oc2ccc(Br)cc2F)nc1 ZINC000032869451 567869815 /nfs/dbraw/zinc/86/98/15/567869815.db2.gz GEBUXBSETXIKEG-UHFFFAOYSA-N 0 0 293.095 3.647 50 30 CHEARN N#CC(=NNc1ccccc1)C(=O)c1ccc(Cl)cc1 ZINC000015219705 567870677 /nfs/dbraw/zinc/87/06/77/567870677.db2.gz ZKLSGTDLUKMBTP-XMHGGMMESA-N 0 0 283.718 3.514 50 30 CHEARN COc1ccc(C(=O)C=CNc2cccc(F)c2)cc1 ZINC000015856327 567871512 /nfs/dbraw/zinc/87/15/12/567871512.db2.gz CAZQTZWMMSJSLI-KTKRTIGZSA-N 0 0 271.291 3.643 50 30 CHEARN Cc1cccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000032912663 567872148 /nfs/dbraw/zinc/87/21/48/567872148.db2.gz AFLPFZYFZHGVKS-CYBMUJFWSA-N 0 0 279.343 3.749 50 30 CHEARN Cc1ccc(C(=O)C=CNCc2ccc(F)cc2)cc1 ZINC000018106310 567876546 /nfs/dbraw/zinc/87/65/46/567876546.db2.gz RWOOHXXXXHAFFI-ZHACJKMWSA-N 0 0 269.319 3.620 50 30 CHEARN N#C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C#N ZINC000018323798 567876834 /nfs/dbraw/zinc/87/68/34/567876834.db2.gz WUSZCOSFCQWIPI-OQSMONGASA-N 0 0 256.308 3.557 50 30 CHEARN CCCc1[nH]nc2c1C(=NO)C[C@@H](C[C@H](C)SCC)C2 ZINC000104423912 567888635 /nfs/dbraw/zinc/88/86/35/567888635.db2.gz BUXDUGLGKALBHG-FMVACOBOSA-N 0 0 295.452 3.635 50 30 CHEARN COc1cccc(NC(=S)NN2[C@H](C)CCC[C@@H]2C)c1 ZINC000013865755 567894448 /nfs/dbraw/zinc/89/44/48/567894448.db2.gz ITZQHVJQAOKVES-TXEJJXNPSA-N 0 0 293.436 3.571 50 30 CHEARN C#CCSc1n[nH]c(-c2cc(Cl)cc(Cl)c2)n1 ZINC000003119810 567896893 /nfs/dbraw/zinc/89/68/93/567896893.db2.gz LBFPIHTWLCPIBQ-UHFFFAOYSA-N 0 0 284.171 3.504 50 30 CHEARN CC(C)Oc1ccccc1C(=O)Nc1ccc(CC#N)cc1 ZINC000065362586 567898678 /nfs/dbraw/zinc/89/86/78/567898678.db2.gz PGCMQLXQNLFOQJ-UHFFFAOYSA-N 0 0 294.354 3.792 50 30 CHEARN N#CCCC[S@@](=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000097164028 567905218 /nfs/dbraw/zinc/90/52/18/567905218.db2.gz YMHLHWNOFWZZGT-SFHVURJKSA-N 0 0 295.713 3.770 50 30 CHEARN Cc1ccc(Oc2cc(C#N)c(C#N)cc2[N+](=O)[O-])cc1C ZINC000000082316 567907923 /nfs/dbraw/zinc/90/79/23/567907923.db2.gz USTUQXWWWYOXGR-UHFFFAOYSA-N 0 0 293.282 3.747 50 30 CHEARN CCCCCCCCCCC(=O)c1c[nH]c(C(N)=O)c1 ZINC000095691941 567909420 /nfs/dbraw/zinc/90/94/20/567909420.db2.gz PMCHDSPPYYLNKL-UHFFFAOYSA-N 0 0 278.396 3.827 50 30 CHEARN CC(=O)Nc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000100070169 567912169 /nfs/dbraw/zinc/91/21/69/567912169.db2.gz UMTCXEUXHRBPEB-LICLKQGHSA-N 0 0 297.314 3.612 50 30 CHEARN COc1ccccc1NC=C1Sc2ccccc2C1=O ZINC000100517398 567913439 /nfs/dbraw/zinc/91/34/39/567913439.db2.gz NHGINHAPHVXLIU-GDNBJRDFSA-N 0 0 283.352 3.937 50 30 CHEARN CCCC(NCc1ccccc1)=C1C(=O)CC(C)(C)CC1=O ZINC000100668505 567913651 /nfs/dbraw/zinc/91/36/51/567913651.db2.gz IZEBPXPKMXQZPV-UHFFFAOYSA-N 0 0 299.414 3.789 50 30 CHEARN CCCCCCCCCCCC(=O)NCC[N+](C)(C)[O-] ZINC000100813549 567913906 /nfs/dbraw/zinc/91/39/06/567913906.db2.gz YWBRLYMOWANDKF-UHFFFAOYSA-N 0 0 286.460 3.598 50 30 CHEARN COC(=O)[C@H](/N=C/c1ccccc1Cl)c1ccccc1 ZINC000100911941 567914169 /nfs/dbraw/zinc/91/41/69/567914169.db2.gz RYXXVFBQCQBMLY-CLXYIWAZSA-N 0 0 287.746 3.673 50 30 CHEARN COC(=O)[C@@H](/N=C/c1ccccc1Cl)c1ccccc1 ZINC000100911943 567914204 /nfs/dbraw/zinc/91/42/04/567914204.db2.gz RYXXVFBQCQBMLY-LZNAANCOSA-N 0 0 287.746 3.673 50 30 CHEARN O=C(/C=C/c1cccc2nccnc12)c1ccccc1 ZINC000072314702 567917282 /nfs/dbraw/zinc/91/72/82/567917282.db2.gz IJXPCSHXWZGEMR-MDZDMXLPSA-N 0 0 260.296 3.526 50 30 CHEARN N#Cc1nc(COc2ccccc2)oc1N1CCCCCC1 ZINC000000108540 567923391 /nfs/dbraw/zinc/92/33/91/567923391.db2.gz CQIKOXSVBGJVKI-UHFFFAOYSA-N 0 0 297.358 3.506 50 30 CHEARN N#Cc1nc(-c2ccc(Cl)cc2)oc1N1CCCCC1 ZINC000000135170 567923535 /nfs/dbraw/zinc/92/35/35/567923535.db2.gz WQKOIGIXISYXPV-UHFFFAOYSA-N 0 0 287.750 3.857 50 30 CHEARN COc1ccccc1NCc1c(C#N)c2ccccc2n1C ZINC000000176161 567924275 /nfs/dbraw/zinc/92/42/75/567924275.db2.gz IRHPNWNPUFWUTA-UHFFFAOYSA-N 0 0 291.354 3.671 50 30 CHEARN O=[N+]([O-])c1ccccc1/C=N/c1nc2c(s1)CCCC2 ZINC000000247878 567925325 /nfs/dbraw/zinc/92/53/25/567925325.db2.gz XNMBJHADWKKFCM-OQLLNIDSSA-N 0 0 287.344 3.681 50 30 CHEARN COc1ccc(OC)c(NC=CC(=O)c2ccc(C)cc2)c1 ZINC000000267876 567926106 /nfs/dbraw/zinc/92/61/06/567926106.db2.gz JZMBRGKUDSUJFK-ZHACJKMWSA-N 0 0 297.354 3.821 50 30 CHEARN CCCCCCNC=C1C(=O)CC(c2ccccc2)CC1=O ZINC000100641750 567928137 /nfs/dbraw/zinc/92/81/37/567928137.db2.gz MVMLQZWUXUXAAR-UHFFFAOYSA-N 0 0 299.414 3.756 50 30 CHEARN Cc1cc(C)cc(NC=C2Oc3cc(O)ccc3C2=O)c1 ZINC000100650872 567928216 /nfs/dbraw/zinc/92/82/16/567928216.db2.gz CYNHIOIIARBWMC-SXGWCWSVSA-N 0 0 281.311 3.538 50 30 CHEARN C=CCc1c(C)nc(SC)nc1Nc1ccccc1 ZINC000000343857 567929530 /nfs/dbraw/zinc/92/95/30/567929530.db2.gz ZIDHKBXHAVJWKD-UHFFFAOYSA-N 0 0 271.389 3.979 50 30 CHEARN Cc1ccc(C)c(NC(=O)C(O)=CC(=O)c2ccccc2)c1 ZINC000101355140 567940957 /nfs/dbraw/zinc/94/09/57/567940957.db2.gz GTXYNDHRQUJTTJ-BOPFTXTBSA-N 0 0 295.338 3.567 50 30 CHEARN C=C(C)[C@H]1CC(NC(=O)/C=C/c2ccccc2)=C(C(C)=O)C1 ZINC000000517722 567941852 /nfs/dbraw/zinc/94/18/52/567941852.db2.gz VNRCAYMQDJDRNH-ZNFPLGDCSA-N 0 0 295.382 3.645 50 30 biogenic CHEARN CCOc1ccc([C@H](C)Nc2ccc(C#N)cn2)cc1OC ZINC000047511437 567945694 /nfs/dbraw/zinc/94/56/94/567945694.db2.gz QDNCYDMWVJXFLV-LBPRGKRZSA-N 0 0 297.358 3.534 50 30 CHEARN COc1ccc(OC)c(C(=O)C=CNc2cccc(C)c2)c1 ZINC000044843352 567946096 /nfs/dbraw/zinc/94/60/96/567946096.db2.gz IBAUQYDQGXJAPQ-MDZDMXLPSA-N 0 0 297.354 3.821 50 30 CHEARN CCN(C[C@H](C)C#N)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000048951722 567946621 /nfs/dbraw/zinc/94/66/21/567946621.db2.gz SNKNXFJJEMJPTK-SNVBAGLBSA-N 0 0 290.750 3.708 50 30 CHEARN C[C@H](SCc1ccccc1)C(=O)[C@@H](C#N)c1ccccn1 ZINC000049457621 567946913 /nfs/dbraw/zinc/94/69/13/567946913.db2.gz ZNLFUSAAFYIHOS-ZFWWWQNUSA-N 0 0 296.395 3.580 50 30 CHEARN COc1ccccc1[C@H](CC#N)[C@@H]1CCOC(C)(C)C1 ZINC000000447082 570271264 /nfs/dbraw/zinc/27/12/64/570271264.db2.gz YVMJVMVBULDODL-ZIAGYGMSSA-N 0 0 273.376 3.898 50 30 CHEARN Cc1nc(Sc2ccccc2)c(C#N)c(C)c1[N+](=O)[O-] ZINC000000075438 570273101 /nfs/dbraw/zinc/27/31/01/570273101.db2.gz FTNUZNJVYJVRJI-UHFFFAOYSA-N 0 0 285.328 3.630 50 30 CHEARN CC(=O)C1C(=O)C=C(c2ccco2)C[C@H]1c1ccco1 ZINC000101053374 570281737 /nfs/dbraw/zinc/28/17/37/570281737.db2.gz BWIIRLQJOTZUNV-KPENOIPVSA-N 0 0 270.284 3.845 50 30 CHEARN CCN(CCc1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000047338010 570291968 /nfs/dbraw/zinc/29/19/68/570291968.db2.gz XVCORFNQWPGFAW-UHFFFAOYSA-N 0 0 293.370 3.655 50 30 CHEARN COc1cc(C#N)ccc1Oc1nc2ccccc2o1 ZINC000044974417 570294624 /nfs/dbraw/zinc/29/46/24/570294624.db2.gz KPHNSRKWJBUERX-UHFFFAOYSA-N 0 0 266.256 3.500 50 30 CHEARN C=CCn1c2ccccc2c2cc([N+](=O)[O-])ccc21 ZINC000002874977 570310876 /nfs/dbraw/zinc/31/08/76/570310876.db2.gz ZBEARDGWESBESZ-UHFFFAOYSA-N 0 0 252.273 3.889 50 30 CHEARN N#CCc1c(Cl)cc(Cl)cc1OC(F)F ZINC000263624251 570325687 /nfs/dbraw/zinc/32/56/87/570325687.db2.gz OSAQCLCVHYJFRN-UHFFFAOYSA-N 0 0 252.047 3.661 50 30 CHEARN C=C(Cl)Cc1ccc(O[C@H]2CCCCO2)cc1 ZINC000043208754 570331034 /nfs/dbraw/zinc/33/10/34/570331034.db2.gz OKTQRHJMLZYCJX-AWEZNQCLSA-N 0 0 252.741 3.887 50 30 CHEARN N#Cc1c(NC(=O)c2ccc(Cl)cc2)oc2cccnc12 ZINC000004052780 570331070 /nfs/dbraw/zinc/33/10/70/570331070.db2.gz XCCNJGBLBIHGIO-UHFFFAOYSA-N 0 0 297.701 3.605 50 30 CHEARN N#C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000004054486 570331495 /nfs/dbraw/zinc/33/14/95/570331495.db2.gz OXTPMZKCTOCRSV-LLVKDONJSA-N 0 0 266.222 3.975 50 30 CHEARN C=C(C)Cn1cc(-c2ccc(Cl)cc2)cc(C#N)c1=O ZINC000001388521 570333334 /nfs/dbraw/zinc/33/33/34/570333334.db2.gz JQPBINXYIDPIQD-UHFFFAOYSA-N 0 0 284.746 3.616 50 30 CHEARN C#Cc1ccccc1[C@@H]1CC(=O)Nc2cc(OCC)ccc21 ZINC000065434042 570335891 /nfs/dbraw/zinc/33/58/91/570335891.db2.gz FXNZUJMBIGSWJC-KRWDZBQOSA-N 0 0 291.350 3.541 50 30 CHEARN C#Cc1ccccc1[C@H]1CC(=O)Nc2cc(OCC)ccc21 ZINC000065434040 570335895 /nfs/dbraw/zinc/33/58/95/570335895.db2.gz FXNZUJMBIGSWJC-QGZVFWFLSA-N 0 0 291.350 3.541 50 30 CHEARN C=CCNC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000012754190 570336804 /nfs/dbraw/zinc/33/68/04/570336804.db2.gz RSLUNRWQJKDGEN-CHWSQXEVSA-N 0 0 298.411 3.648 50 30 CHEARN C=CCNC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000026518060 570346722 /nfs/dbraw/zinc/34/67/22/570346722.db2.gz NOFSUNDPPCSFEV-QMMMGPOBSA-N 0 0 273.163 3.540 50 30 CHEARN C=C(C)CNC(=O)c1oc2ccc(CCC)cc2c1C ZINC000012596495 570339637 /nfs/dbraw/zinc/33/96/37/570339637.db2.gz CPAMTSRMFJSVRD-UHFFFAOYSA-N 0 0 271.360 4.000 50 30 CHEARN C#C[C@]1(C)CC[C@H]2[C@@H](O1)c1ccccc1OC2(C)C ZINC000012384169 570339745 /nfs/dbraw/zinc/33/97/45/570339745.db2.gz XJYIHLZPVJZAOI-JLJPHGGASA-N 0 0 256.345 3.717 50 30 biogenic CHEARN C=CCc1cc(C(=O)Nc2ccccc2C)ccc1OC ZINC000014401412 570340680 /nfs/dbraw/zinc/34/06/80/570340680.db2.gz DQCJQHCBCMVHIS-UHFFFAOYSA-N 0 0 281.355 3.984 50 30 CHEARN CCOc1ccc(-c2ccc(C#N)c(=S)[nH]2)cc1 ZINC000049846097 570348880 /nfs/dbraw/zinc/34/88/80/570348880.db2.gz ZMYLXHLWYCUZCX-UHFFFAOYSA-N 0 0 256.330 3.682 50 30 CHEARN CCCN(C(=O)CSCC#N)c1cccc2ccccc21 ZINC000063951937 570349887 /nfs/dbraw/zinc/34/98/87/570349887.db2.gz ARCCWKAKVOKRQS-UHFFFAOYSA-N 0 0 298.411 3.840 50 30 CHEARN C=CCn1c(C)nnc1SCc1ccc(Cl)cc1 ZINC000013989903 570364824 /nfs/dbraw/zinc/36/48/24/570364824.db2.gz BTYOJNIPMYFMRW-UHFFFAOYSA-N 0 0 279.796 3.718 50 30 CHEARN Cc1ccc(F)cc1NC(=O)ON=C(Cl)C(C)C ZINC000252612189 570376220 /nfs/dbraw/zinc/37/62/20/570376220.db2.gz IPWGXHOJRNOZAV-UHFFFAOYSA-N 0 0 272.707 3.891 50 30 CHEARN CC[C@H](NC(C)=O)c1cccc(Br)c1 ZINC000000285697 570382927 /nfs/dbraw/zinc/38/29/27/570382927.db2.gz NYGSOGIHDAMKOB-NSHDSACASA-N 0 0 256.143 3.877 50 30 CHEARN CC1=NOC(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000105808814 570386045 /nfs/dbraw/zinc/38/60/45/570386045.db2.gz KCROWXAVKMVWNJ-LFIBNONCSA-N 0 0 293.322 3.582 50 30 CHEARN Cc1ccc(-c2nc(C#N)c(N3CCCCC3)o2)cc1 ZINC000000071398 570386502 /nfs/dbraw/zinc/38/65/02/570386502.db2.gz DOUGSUVYRJCTGN-UHFFFAOYSA-N 0 0 267.332 3.512 50 30 CHEARN N#Cc1cccc(C(=O)Cc2cccc(Cl)c2)c1 ZINC000000161864 570387173 /nfs/dbraw/zinc/38/71/73/570387173.db2.gz GPJDYVGSDLQKSW-UHFFFAOYSA-N 0 0 255.704 3.637 50 30 CHEARN CC[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000000311916 570387479 /nfs/dbraw/zinc/38/74/79/570387479.db2.gz GTMGHVKPPOTNTO-MRXNPFEDSA-N 0 0 264.328 3.691 50 30 CHEARN CCO[C@@H](C)c1ccc(-c2ccc(C#N)nc2)cc1 ZINC000067726517 570394192 /nfs/dbraw/zinc/39/41/92/570394192.db2.gz BRBZLNRPALUSHN-LBPRGKRZSA-N 0 0 252.317 3.718 50 30 CHEARN N#Cc1cc2cc(Br)ccc2nc1Cl ZINC000011985208 570394510 /nfs/dbraw/zinc/39/45/10/570394510.db2.gz FFAIUVQNAJQHTR-UHFFFAOYSA-N 0 0 267.513 3.522 50 30 CHEARN N#Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000011861895 570394482 /nfs/dbraw/zinc/39/44/82/570394482.db2.gz QQOOGFABDFSRFK-UHFFFAOYSA-N 0 0 288.144 3.900 50 30 CHEARN Cc1ccc(-c2cc(C(F)F)n3ncc(C#N)c3n2)cc1 ZINC000002747671 570398252 /nfs/dbraw/zinc/39/82/52/570398252.db2.gz DURXYANQNRWUJO-UHFFFAOYSA-N 0 0 284.269 3.514 50 30 CHEARN N#Cc1ccc(C(=O)O[C@H]2CCCc3ccccc32)cc1 ZINC000012788057 1125495454 /nfs/dbraw/zinc/49/54/54/1125495454.db2.gz OOZBVNBNPQVUSN-KRWDZBQOSA-N 0 0 277.323 3.793 50 30 CHEARN Cc1ccc([C@@H](C)Cc2nc3cc(C#N)ccc3[nH]2)o1 ZINC000055325299 1125659067 /nfs/dbraw/zinc/65/90/67/1125659067.db2.gz WNFLWDSOVSRUOR-JTQLQIEISA-N 0 0 265.316 3.682 50 30 CHEARN CCC(=NNc1nc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000254733631 1127151920 /nfs/dbraw/zinc/15/19/20/1127151920.db2.gz AHPNTJFGRMJLOR-UHFFFAOYSA-N 0 0 282.322 3.928 50 30 CHEARN N#Cc1ccccc1/C=C/C(=O)Nc1cccc2ncccc21 ZINC000012622159 1127906176 /nfs/dbraw/zinc/90/61/76/1127906176.db2.gz DHVMFELIDFPZAI-ZHACJKMWSA-N 0 0 299.333 3.758 50 30 CHEARN CSc1ccc(N=Cc2ccc3c(c2)OCO3)cc1 ZINC000254622718 1128112641 /nfs/dbraw/zinc/11/26/41/1128112641.db2.gz GGBZSUVPYWBODB-UHFFFAOYSA-N 0 0 271.341 3.888 50 30 CHEARN N#Cc1ccc(/C=C\C(=O)c2ccc(F)c(F)c2)cc1 ZINC000033476463 1128535544 /nfs/dbraw/zinc/53/55/44/1128535544.db2.gz NWLQTSUNPOMVPU-YVMONPNESA-N 0 0 269.250 3.733 50 30 CHEARN C=C(C)c1ncc(-c2ccccc2OC[C@H]2CCOC2)cn1 ZINC000863972945 1128706584 /nfs/dbraw/zinc/70/65/84/1128706584.db2.gz XJIMFWXVFKMPLN-AWEZNQCLSA-N 0 0 296.370 3.592 50 30 CHEARN C=CCN(Cc1ccc(F)nc1C)c1ccccc1 ZINC000225625721 1119360910 /nfs/dbraw/zinc/36/09/10/1119360910.db2.gz POVGKABGZFTUBD-UHFFFAOYSA-N 0 0 256.324 3.722 50 30 CHEARN COc1ccc(C(=O)/C=C\c2ccc3nccnc3c2)cc1 ZINC000097995882 1120087976 /nfs/dbraw/zinc/08/79/76/1120087976.db2.gz VXLBEUFENVCCIN-OQFOIZHKSA-N 0 0 290.322 3.535 50 30 CHEARN COc1ccc(Nc2oc(-c3ccccc3)nc2C#N)cc1 ZINC000000065796 1120123314 /nfs/dbraw/zinc/12/33/14/1120123314.db2.gz CBFDROYKBKLBOC-UHFFFAOYSA-N 0 0 291.310 3.965 50 30 CHEARN C=CCn1c2ccccc2nc1SCc1ccccn1 ZINC000048340706 1120811480 /nfs/dbraw/zinc/81/14/80/1120811480.db2.gz RNCCRNVNZCVTPA-UHFFFAOYSA-N 0 0 281.384 3.910 50 30 CHEARN Cc1ccc(C(=O)/C=C\c2cncn2C(C)C)cc1[N+](=O)[O-] ZINC000864086109 1128976826 /nfs/dbraw/zinc/97/68/26/1128976826.db2.gz BMUZQWYSSLBQFH-SREVYHEPSA-N 0 0 299.330 3.577 50 30 CHEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccccc1Cl)O2 ZINC000210986069 1121634149 /nfs/dbraw/zinc/63/41/49/1121634149.db2.gz BMDZENNMGSWEOT-NVNXTCNLSA-N 0 0 286.714 3.965 50 30 CHEARN CC(C)(C)[S@@](=O)/N=C/c1cccc(C(F)(F)F)c1 ZINC000252501526 1121652390 /nfs/dbraw/zinc/65/23/90/1121652390.db2.gz UHAPINQRXQBAMZ-XSZFBFBBSA-N 0 0 277.311 3.587 50 30 CHEARN N#CC(=NNc1ccccc1)c1nc2ccccc2s1 ZINC000254446549 1121680800 /nfs/dbraw/zinc/68/08/00/1121680800.db2.gz LXGYDCCPENBREL-UHFFFAOYSA-N 0 0 278.340 3.636 50 30 CHEARN CCOc1ccccc1C=NOCc1ccccc1C#N ZINC000254440631 1121681146 /nfs/dbraw/zinc/68/11/46/1121681146.db2.gz CYYVJDNLTNPCID-UHFFFAOYSA-N 0 0 280.327 3.508 50 30 CHEARN C[C@@]1(C#N)CCCN(Cc2ccc(Cl)s2)C1 ZINC000612165832 1121686297 /nfs/dbraw/zinc/68/62/97/1121686297.db2.gz OKCCILWARPQGJP-LBPRGKRZSA-N 0 0 254.786 3.527 50 30 CHEARN C=CCCC(=O)N[C@H](c1ccsc1)c1cccs1 ZINC000618256160 1121701803 /nfs/dbraw/zinc/70/18/03/1121701803.db2.gz OJTVGROHNRVWPJ-CQSZACIVSA-N 0 0 277.414 3.981 50 30 CHEARN C=C(C)CSc1n[nH]c(C=Cc2ccc(C)o2)n1 ZINC000025052678 1122897677 /nfs/dbraw/zinc/89/76/77/1122897677.db2.gz YAZONQIBLNWNLO-VOTSOKGWSA-N 0 0 261.350 3.545 50 30 CHEARN C=C(C)C[C@@H](C)C(=O)N1CCOc2ccccc2[C@H]1C ZINC000585113962 1131299352 /nfs/dbraw/zinc/29/93/52/1131299352.db2.gz OZAACUUZXCABLF-ZIAGYGMSSA-N 0 0 273.376 3.571 50 30 CHEARN C=C(C)C[C@H](C)C(=O)NCc1nsc2ccccc21 ZINC000585126618 1131319061 /nfs/dbraw/zinc/31/90/61/1131319061.db2.gz DEMMGYQHHDSGEX-NSHDSACASA-N 0 0 274.389 3.515 50 30 CHEARN CCOc1ccc(/C=C\C(=O)c2ccc(O)c(OC)c2)cc1 ZINC000097993509 1129636067 /nfs/dbraw/zinc/63/60/67/1129636067.db2.gz ZEYAOKSHMHMAOD-POHAHGRESA-N 0 0 298.338 3.696 50 30 CHEARN COc1cccc(/C=C\C(=O)c2cccc(NC(C)=O)c2)c1 ZINC000097993066 1129636152 /nfs/dbraw/zinc/63/61/52/1129636152.db2.gz ZUNIDAVXPSTLHZ-KTKRTIGZSA-N 0 0 295.338 3.550 50 30 CHEARN O=C(/C=C\c1c(Cl)nc2ccccn12)c1ccc(O)cc1 ZINC000097992945 1129636208 /nfs/dbraw/zinc/63/62/08/1129636208.db2.gz ARVKRVHUCMKUKV-HJWRWDBZSA-N 0 0 298.729 3.589 50 30 CHEARN CC(=NN=c1sc2ccccc2n1C)c1c(C)c[nH]c1C ZINC000254677620 1129703732 /nfs/dbraw/zinc/70/37/32/1129703732.db2.gz KXMQTNNFTHCMIU-UHFFFAOYSA-N 0 0 298.415 3.510 50 30 CHEARN Clc1ccc(C=Nn2cnc3ccccc32)cc1 ZINC000254708957 1129706292 /nfs/dbraw/zinc/70/62/92/1129706292.db2.gz VWXSMJSIZOUQAV-UHFFFAOYSA-N 0 0 255.708 3.572 50 30 CHEARN C=CCN(Cc1ccccc1C)C(=O)[C@@H](C)n1cccc1 ZINC000952873095 1132016108 /nfs/dbraw/zinc/01/61/08/1132016108.db2.gz VCAGUSSAQKWGCM-MRXNPFEDSA-N 0 0 282.387 3.572 50 30 CHEARN C#CCCC1(CCC(=O)N2CCCC[C@H]2c2ccco2)N=N1 ZINC000952879787 1132016894 /nfs/dbraw/zinc/01/68/94/1132016894.db2.gz AVDVLIMTEVNNCA-AWEZNQCLSA-N 0 0 299.374 3.689 50 30 CHEARN C=CCN(Cc1ccsc1)C(=O)c1cccn1C1CC1 ZINC000952960934 1132017394 /nfs/dbraw/zinc/01/73/94/1132017394.db2.gz MTUJWUMORBWTKR-UHFFFAOYSA-N 0 0 286.400 3.713 50 30 CHEARN C#CCCC1(CCC(=O)N2CCCC[C@@H]2c2ccco2)N=N1 ZINC000952879788 1132017751 /nfs/dbraw/zinc/01/77/51/1132017751.db2.gz AVDVLIMTEVNNCA-CQSZACIVSA-N 0 0 299.374 3.689 50 30 CHEARN Cc1cc(C(=O)OCc2ccc(C#N)cc2)c(C)s1 ZINC000005355726 230369421 /nfs/dbraw/zinc/36/94/21/230369421.db2.gz RUFNNZFSLYVBPC-UHFFFAOYSA-N 0 0 271.341 3.594 50 30 CHEARN N#Cc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000002632677 230367414 /nfs/dbraw/zinc/36/74/14/230367414.db2.gz BKIVWKDBKHZYNU-UHFFFAOYSA-N 0 0 288.709 3.532 50 30 CHEARN CSCc1cccc(NC(=O)N(C)[C@H](C)CC#N)c1C ZINC000095964704 185045270 /nfs/dbraw/zinc/04/52/70/185045270.db2.gz DWINHCDGPXKTDF-LLVKDONJSA-N 0 0 291.420 3.624 50 30 CHEARN C=CCCC[C@H](C)Sc1nnc(N(C)C)n1C(C)C ZINC000095984532 185055499 /nfs/dbraw/zinc/05/54/99/185055499.db2.gz FYWLNIIPGBZCEJ-LBPRGKRZSA-N 0 0 282.457 3.762 50 30 CHEARN CCCCCn1cc(C(=O)NC[C@@H](C)C#N)c2ccccc21 ZINC000095992013 185058684 /nfs/dbraw/zinc/05/86/84/185058684.db2.gz RWZMKGIRIGLYMK-AWEZNQCLSA-N 0 0 297.402 3.721 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(F)c(F)c2)cc1O ZINC000096765419 185111458 /nfs/dbraw/zinc/11/14/58/185111458.db2.gz GNIRLNJMEVZYCW-KXFIGUGUSA-N 0 0 290.265 3.575 50 30 CHEARN COc1cc(C(=O)/C=C\c2cccc(Cl)c2)ccc1O ZINC000096792750 185114663 /nfs/dbraw/zinc/11/46/63/185114663.db2.gz BXUZIOGKWBZCGZ-ALCCZGGFSA-N 0 0 288.730 3.950 50 30 CHEARN O=C(/C=C\c1ccc(O)cc1)c1nc2ccccc2s1 ZINC000096861746 185118002 /nfs/dbraw/zinc/11/80/02/185118002.db2.gz VCLUMSARULASMI-YFHOEESVSA-N 0 0 281.336 3.898 50 30 CHEARN O=C(/C=C\c1ccsc1)c1ccc2c(c1)CCO2 ZINC000096939731 185132814 /nfs/dbraw/zinc/13/28/14/185132814.db2.gz DEXGNOHILFGYTF-IWQZZHSRSA-N 0 0 256.326 3.579 50 30 CHEARN N#Cc1ccc(OCCC(F)(F)F)c(Br)c1 ZINC000125463876 187186022 /nfs/dbraw/zinc/18/60/22/187186022.db2.gz OOYZPASTIAYIJV-UHFFFAOYSA-N 0 0 294.070 3.652 50 30 CHEARN C=C(C)CSc1n[nH]c(C=Cc2ccc(C)o2)n1 ZINC000096983436 185146300 /nfs/dbraw/zinc/14/63/00/185146300.db2.gz YAZONQIBLNWNLO-SREVYHEPSA-N 0 0 261.350 3.545 50 30 CHEARN N#Cc1ccc(/C=C2/CCOc3ccc(F)cc3C2=O)cc1 ZINC000096988698 185146383 /nfs/dbraw/zinc/14/63/83/185146383.db2.gz QGYIYIULWNCVPJ-ZROIWOOFSA-N 0 0 293.297 3.746 50 30 CHEARN CCc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000571444 529589471 /nfs/dbraw/zinc/58/94/71/529589471.db2.gz IMFUWGZEARHOOJ-LFIBNONCSA-N 0 0 254.289 3.908 50 30 CHEARN CCOc1ccc(/N=C/c2ccc(C(=O)OC)cc2)cc1 ZINC000098087201 185685405 /nfs/dbraw/zinc/68/54/05/185685405.db2.gz VXXIWULMWPUXCW-LDADJPATSA-N 0 0 283.327 3.623 50 30 CHEARN C=CCSc1nnc(C)c(C=CNc2ccc(C)cc2)n1 ZINC000100142804 185706671 /nfs/dbraw/zinc/70/66/71/185706671.db2.gz MJBRLEUIGJWPOT-MDZDMXLPSA-N 0 0 298.415 3.849 50 30 CHEARN CCCCCCCC[S@@](=O)CCCCC(=O)OCC ZINC000100243313 185709638 /nfs/dbraw/zinc/70/96/38/185709638.db2.gz TYTWHOONJDGMSQ-IBGZPJMESA-N 0 0 290.469 3.829 50 30 CHEARN CCOc1ccc2c(c1)C(=O)C(=CN[C@H](C)CC)S2 ZINC000100311225 185712706 /nfs/dbraw/zinc/71/27/06/185712706.db2.gz KZMZHDUGFYSQEY-GMROUXNLSA-N 0 0 277.389 3.603 50 30 CHEARN CCC(=O)C(C(=O)c1ccccc1)=C1Nc2ccccc2N1 ZINC000102580685 185781430 /nfs/dbraw/zinc/78/14/30/185781430.db2.gz KLGSIJQIZGFTOI-UHFFFAOYSA-N 0 0 292.338 3.598 50 30 CHEARN N#Cc1ccc(C=Cc2nc(-c3ccccc3)c[nH]2)nc1 ZINC000193129815 189635857 /nfs/dbraw/zinc/63/58/57/189635857.db2.gz SXHGALQUCCDGSQ-CMDGGOBGSA-N 0 0 272.311 3.514 50 30 CHEARN CN(C)c1cccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000005586497 170116358 /nfs/dbraw/zinc/11/63/58/170116358.db2.gz BUHHTTMXPYJHHZ-UHFFFAOYSA-N 0 0 299.761 3.530 50 30 CHEARN CSc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)cc1 ZINC000000033557 169511303 /nfs/dbraw/zinc/51/13/03/169511303.db2.gz AOZSYCFAFQYRPY-RVDMUPIBSA-N 0 0 295.363 3.753 50 30 CHEARN O=C1c2ccccc2C(=O)C1=Cc1ccccc1Cl ZINC000000076008 169527700 /nfs/dbraw/zinc/52/77/00/169527700.db2.gz YVMQXWYKPVDDNN-UHFFFAOYSA-N 0 0 268.699 3.803 50 30 CHEARN O=[N+]([O-])c1ccc(/C=N/c2ccc3ncccc3c2)cc1 ZINC000000261976 169590380 /nfs/dbraw/zinc/59/03/80/169590380.db2.gz MRTGVHMDBZMJNR-WOJGMQOQSA-N 0 0 277.283 3.894 50 30 CHEARN CC(=O)Nc1ccc(Sc2ccccc2CC#N)cc1 ZINC000000346902 169613362 /nfs/dbraw/zinc/61/33/62/169613362.db2.gz NXFWRHPSNXSBTK-UHFFFAOYSA-N 0 0 282.368 3.862 50 30 CHEARN CC[C@H]1CCc2c(C#N)c(NC(=O)C3CCC3)sc2C1 ZINC000000371612 169621121 /nfs/dbraw/zinc/62/11/21/169621121.db2.gz ROVUYYODUAZRSG-JTQLQIEISA-N 0 0 288.416 3.873 50 30 CHEARN COc1cccc(NC(=S)NCc2ccc(F)cc2)c1 ZINC000000458781 169646245 /nfs/dbraw/zinc/64/62/45/169646245.db2.gz BVHKWCWVXKXUEM-UHFFFAOYSA-N 0 0 290.363 3.732 50 30 CHEARN CN(C)/C=C1\C(=O)c2ccccc2O[C@H]1C1CCCCC1 ZINC000000482542 169653187 /nfs/dbraw/zinc/65/31/87/169653187.db2.gz NRPVCLUVCYXKMQ-XOVFHRFOSA-N 0 0 285.387 3.656 50 30 CHEARN N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N1CCCCC1 ZINC000096346427 256890100 /nfs/dbraw/zinc/89/01/00/256890100.db2.gz HKPXMLRTCAABJT-CABCVRRESA-N 0 0 293.370 3.808 50 30 CHEARN CC(=O)c1cc(C#N)c(Oc2cc(C)cc(C)c2)nc1C ZINC000001382999 169696936 /nfs/dbraw/zinc/69/69/36/169696936.db2.gz CEORPXLZYPVQGD-UHFFFAOYSA-N 0 0 280.327 3.873 50 30 CHEARN Cc1snc(SCC(=O)c2ccc(C)cc2)c1C#N ZINC000001393852 169700376 /nfs/dbraw/zinc/70/03/76/169700376.db2.gz PVJRTNMYYNTHKA-UHFFFAOYSA-N 0 0 288.397 3.607 50 30 CHEARN COc1ccc(C)c(NCc2cc(C#N)cs2)c1 ZINC000096482771 533373021 /nfs/dbraw/zinc/37/30/21/533373021.db2.gz XJXAAXFEDGRNNH-UHFFFAOYSA-N 0 0 258.346 3.549 50 30 CHEARN N#Cc1c(-c2ccco2)cc(C(F)(F)F)[nH]c1=S ZINC000002549431 169807256 /nfs/dbraw/zinc/80/72/56/169807256.db2.gz SKEXRZHZBADDHF-UHFFFAOYSA-N 0 0 270.235 3.895 50 30 CHEARN C=CCN1C(=S)N=NC1c1csc(C(C)C)c1 ZINC000002569134 169810692 /nfs/dbraw/zinc/81/06/92/169810692.db2.gz WNICEKMPAJLPJV-UHFFFAOYSA-N 0 0 265.407 3.605 50 30 CHEARN N#Cc1ccsc1NC(=O)CCSc1ccccc1 ZINC000002692915 169820592 /nfs/dbraw/zinc/82/05/92/169820592.db2.gz AZBVGWZSGWRTDC-UHFFFAOYSA-N 0 0 288.397 3.741 50 30 CHEARN Cc1sc2nc(C)nc(S[C@H](C)C#N)c2c1C ZINC000003353571 169881994 /nfs/dbraw/zinc/88/19/94/169881994.db2.gz KGRYDEZXZQJQFN-ZCFIWIBFSA-N 0 0 263.391 3.621 50 30 CHEARN N#Cc1ccc(Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004181919 169941806 /nfs/dbraw/zinc/94/18/06/169941806.db2.gz DDHNISXFVMCFBP-UHFFFAOYSA-N 0 0 273.679 3.863 50 30 CHEARN CC(=O)Nc1ccc(/C=C\C(=O)c2ccccc2)cc1 ZINC000004701260 170001400 /nfs/dbraw/zinc/00/14/00/170001400.db2.gz MJYUMWOKEJNYEM-XFXZXTDPSA-N 0 0 265.312 3.541 50 30 CHEARN COc1cc(/N=C/c2ccc(F)cc2)cc(OC)c1OC ZINC000004705082 170002324 /nfs/dbraw/zinc/00/23/24/170002324.db2.gz JWTGVOCEIQAKBA-VCHYOVAHSA-N 0 0 289.306 3.602 50 30 CHEARN COc1ccc(/C=N/N/C(=N/c2ccccc2)SC)cc1 ZINC000004706854 170002424 /nfs/dbraw/zinc/00/24/24/170002424.db2.gz FFJOWHGIXLUEOQ-SFQUDFHCSA-N 0 0 299.399 3.669 50 30 CHEARN Cc1cccc2cc(/C=C/C(=O)c3cccs3)c(=O)[nH]c12 ZINC000004816292 170022750 /nfs/dbraw/zinc/02/27/50/170022750.db2.gz HUNMYDFTYODYAC-BQYQJAHWSA-N 0 0 295.363 3.794 50 30 CHEARN CC(C)(C)[C@]1([C@H]2O[C@H]2c2ccc(Cl)cc2)CO1 ZINC000004843810 170029106 /nfs/dbraw/zinc/02/91/06/170029106.db2.gz NTXHEYMUPOIYSN-SGMGOOAPSA-N 0 0 252.741 3.595 50 30 CHEARN Cc1ccc(/C=C/C(=O)c2cc(C)ccc2O)cc1 ZINC000004865613 170032775 /nfs/dbraw/zinc/03/27/75/170032775.db2.gz GRHXLDRSCWJMDC-CSKARUKUSA-N 0 0 252.313 3.905 50 30 CHEARN C[C@@H](SC1CCCC1)C(=O)Nc1cccc(C#N)c1 ZINC000004877318 170035330 /nfs/dbraw/zinc/03/53/30/170035330.db2.gz IQIJCABNLWDJGN-LLVKDONJSA-N 0 0 274.389 3.561 50 30 CHEARN CC(=CC(=O)c1ccc(C)o1)Nc1cccc(F)c1 ZINC000005041827 170059858 /nfs/dbraw/zinc/05/98/58/170059858.db2.gz CFEYZIMNMVLIJD-CSKARUKUSA-N 0 0 259.280 3.926 50 30 CHEARN COc1cccc(C(=O)/C=C/c2ccc(C)cc2)c1 ZINC000005068386 170063498 /nfs/dbraw/zinc/06/34/98/170063498.db2.gz NHORRVWNYQDPID-ZHACJKMWSA-N 0 0 252.313 3.900 50 30 CHEARN COc1ccc(C(=O)C=C(C)Nc2ccccc2O)cc1 ZINC000005073348 170064269 /nfs/dbraw/zinc/06/42/69/170064269.db2.gz XVTRYFIIJWZWHQ-VAWYXSNFSA-N 0 0 283.327 3.599 50 30 CHEARN CCC[C@H]1CC(=O)C=C(Nc2ccccc2C#N)C1 ZINC000005193978 170075543 /nfs/dbraw/zinc/07/55/43/170075543.db2.gz YUFWPDCQWPDFDJ-GFCCVEGCSA-N 0 0 254.333 3.633 50 30 CHEARN CC(=O)c1ccc(NC2=C(Cl)C(=O)C[C@@H](C)C2)cc1 ZINC000005200049 170075746 /nfs/dbraw/zinc/07/57/46/170075746.db2.gz AKKGCJDJLITMCL-VIFPVBQESA-N 0 0 277.751 3.751 50 30 CHEARN O=C(/C=C/c1ccsc1)c1ccc(N2CCCC2=O)cc1 ZINC000005231549 170077733 /nfs/dbraw/zinc/07/77/33/170077733.db2.gz NZJSMKRWPMGYSJ-FPYGCLRLSA-N 0 0 297.379 3.771 50 30 CHEARN O=C(/C=C/c1ccc(Br)s1)c1cccnc1 ZINC000005263441 170081102 /nfs/dbraw/zinc/08/11/02/170081102.db2.gz LFGJUVLMPCFOHZ-HWKANZROSA-N 0 0 294.173 3.802 50 30 CHEARN Oc1ccc(Cl)cc1/C=N/Cc1ccc(F)cc1 ZINC000005288102 170083101 /nfs/dbraw/zinc/08/31/01/170083101.db2.gz MCFIUCONSZHFEM-RQZCQDPDSA-N 0 0 263.699 3.804 50 30 CHEARN CCc1ccccc1/N=C/c1cccc(OC)c1O ZINC000005288606 170083332 /nfs/dbraw/zinc/08/33/32/170083332.db2.gz WMEOFJFPPWEADX-GZTJUZNOSA-N 0 0 255.317 3.714 50 30 CHEARN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C#N)cc1C ZINC000005292570 170083858 /nfs/dbraw/zinc/08/38/58/170083858.db2.gz SJJMKNWDZZOTBG-CQSZACIVSA-N 0 0 294.354 3.581 50 30 CHEARN CCOc1cc(/C=C/C(=O)c2ccc(C#N)cc2)ccc1O ZINC000006049121 170172203 /nfs/dbraw/zinc/17/22/03/170172203.db2.gz VEFSVXDVSKGTLS-WEVVVXLNSA-N 0 0 293.322 3.559 50 30 CHEARN COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1O ZINC000006340631 170194057 /nfs/dbraw/zinc/19/40/57/170194057.db2.gz DHUCXKSXHYJTLK-FNORWQNLSA-N 0 0 288.730 3.950 50 30 CHEARN C=CCn1c(=S)[nH]nc1[C@@H](C)Oc1ccccc1C ZINC000006401869 170198606 /nfs/dbraw/zinc/19/86/06/170198606.db2.gz RASINPALMTXUMF-LLVKDONJSA-N 0 0 275.377 3.575 50 30 CHEARN C=C(C)CN(CC)Cn1nc(-c2cccs2)[nH]c1=S ZINC000006482429 170204782 /nfs/dbraw/zinc/20/47/82/170204782.db2.gz MGORKCFEDMWPTH-UHFFFAOYSA-N 0 0 294.449 3.525 50 30 CHEARN C=CCn1c(=S)[nH]nc1[C@@H](C)Oc1cc(C)cc(C)c1 ZINC000006527787 170210513 /nfs/dbraw/zinc/21/05/13/170210513.db2.gz UUFKAPQFGWNOPJ-GFCCVEGCSA-N 0 0 289.404 3.884 50 30 CHEARN CCn1nccc1/C=C/C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006634645 170220239 /nfs/dbraw/zinc/22/02/39/170220239.db2.gz POVKCJGSKISEOO-ONEGZZNKSA-N 0 0 284.403 3.702 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1C ZINC000006647438 170222025 /nfs/dbraw/zinc/22/20/25/170222025.db2.gz OIXZNNGJCUQUOF-UXBLZVDNSA-N 0 0 252.313 3.905 50 30 CHEARN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C#N ZINC000006698166 170227406 /nfs/dbraw/zinc/22/74/06/170227406.db2.gz QMXPZUCTNRGXIA-KRWDZBQOSA-N 0 0 294.354 3.663 50 30 CHEARN CCCc1ccc(C(=O)Nc2ccccc2C#N)cc1 ZINC000006699096 170228101 /nfs/dbraw/zinc/22/81/01/170228101.db2.gz UKBTXIBKGQVEQP-UHFFFAOYSA-N 0 0 264.328 3.763 50 30 CHEARN C=CCOc1cccc(NC(=O)c2cccc(C)c2)c1 ZINC000006702389 170229637 /nfs/dbraw/zinc/22/96/37/170229637.db2.gz LDUUOVJFYNAZOV-UHFFFAOYSA-N 0 0 267.328 3.812 50 30 CHEARN CC(C)c1ccccc1OCC(=O)Nc1ccccc1C#N ZINC000006742386 170238223 /nfs/dbraw/zinc/23/82/23/170238223.db2.gz ZAOZRGFRXAWUGR-UHFFFAOYSA-N 0 0 294.354 3.699 50 30 CHEARN Cc1cc(O)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 ZINC000006757652 170241386 /nfs/dbraw/zinc/24/13/86/170241386.db2.gz HIMQBTMAZYNEKE-AUWJEWJLSA-N 0 0 286.714 3.970 50 30 CHEARN COc1cc(C(=O)/C=C/c2ccc(C)s2)ccc1O ZINC000006788899 170243983 /nfs/dbraw/zinc/24/39/83/170243983.db2.gz QMGJAIFBSPJXCE-SOFGYWHQSA-N 0 0 274.341 3.667 50 30 CHEARN C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000006851228 170248886 /nfs/dbraw/zinc/24/88/86/170248886.db2.gz VZPDNNWZFRDUNQ-LLVKDONJSA-N 0 0 284.746 3.703 50 30 CHEARN O=C(C=C1SCCS1)[C@@H]1C[C@H]1c1ccccc1 ZINC000006940020 170257082 /nfs/dbraw/zinc/25/70/82/170257082.db2.gz ATBHEAOJSAPPEO-NWDGAFQWSA-N 0 0 262.399 3.681 50 30 CHEARN Cc1[nH]nc2c1[C@H](c1ccoc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000006953320 170258727 /nfs/dbraw/zinc/25/87/27/170258727.db2.gz YQOOTGPVAAPDOA-AWEZNQCLSA-N 0 0 297.358 3.512 50 30 CHEARN Cc1ccc(C)c(N[C@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000007041979 170263638 /nfs/dbraw/zinc/26/36/38/170263638.db2.gz WLDBGSLCNKHPEP-CQSZACIVSA-N 0 0 293.370 3.614 50 30 CHEARN Cc1cccc(N[C@@H](C)C(=O)Nc2ccccc2C#N)c1C ZINC000007042207 170263817 /nfs/dbraw/zinc/26/38/17/170263817.db2.gz XISKPRXNPHXDJW-AWEZNQCLSA-N 0 0 293.370 3.614 50 30 CHEARN COc1cc(C#N)ccc1OCc1c(F)cccc1Cl ZINC000007470567 170286492 /nfs/dbraw/zinc/28/64/92/170286492.db2.gz NNAIOEVSRXLOST-UHFFFAOYSA-N 0 0 291.709 3.938 50 30 CHEARN CC(C)c1cccc(NC(=O)c2ccc(C#N)cc2)c1 ZINC000007689900 170297581 /nfs/dbraw/zinc/29/75/81/170297581.db2.gz JPPZERPFHKTMED-UHFFFAOYSA-N 0 0 264.328 3.934 50 30 CHEARN CCOc1cc(/C=C2\Cc3ccccc3C2=O)ccc1O ZINC000007742094 170300304 /nfs/dbraw/zinc/30/03/04/170300304.db2.gz YSGVTMKATOAQRX-NTEUORMPSA-N 0 0 280.323 3.613 50 30 CHEARN C[C@H](CC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000007777757 170301611 /nfs/dbraw/zinc/30/16/11/170301611.db2.gz LVRLCODWONCJHO-CYBMUJFWSA-N 0 0 264.328 3.691 50 30 CHEARN CC[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(C)cc1 ZINC000007792502 170303329 /nfs/dbraw/zinc/30/33/29/170303329.db2.gz HBEQEVXQQLLAMM-QGZVFWFLSA-N 0 0 278.355 3.748 50 30 CHEARN O=C(/C=C/c1cnn(-c2ccccc2)c1)c1cccs1 ZINC000007904734 170306697 /nfs/dbraw/zinc/30/66/97/170306697.db2.gz JTYYZOZKBPDILC-CMDGGOBGSA-N 0 0 280.352 3.830 50 30 CHEARN N#Cc1ccccc1OCC(=O)c1cc2ccccc2o1 ZINC000008186361 170323367 /nfs/dbraw/zinc/32/33/67/170323367.db2.gz FJQNRUQMOMQBJR-UHFFFAOYSA-N 0 0 277.279 3.566 50 30 CHEARN C=CCNc1nc(-c2ccc(NC(C)=O)cc2F)cs1 ZINC000008225442 170325721 /nfs/dbraw/zinc/32/57/21/170325721.db2.gz FZOPKLHXCHPMHO-UHFFFAOYSA-N 0 0 291.351 3.506 50 30 CHEARN CCC(CC)N=Nc1ncnc2sc(C)c(C)c21 ZINC000008284624 170328811 /nfs/dbraw/zinc/32/88/11/170328811.db2.gz BZULGKYQRGOHOO-UHFFFAOYSA-N 0 0 262.382 3.896 50 30 CHEARN N#CCSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000008707781 170348308 /nfs/dbraw/zinc/34/83/08/170348308.db2.gz JORFKPFGTMBOTO-UHFFFAOYSA-N 0 0 295.367 3.807 50 30 CHEARN Cn1cccc1-c1n[nH]c(SCc2ccccc2)c1C#N ZINC000009156744 170365039 /nfs/dbraw/zinc/36/50/39/170365039.db2.gz IGOJNSVKVHPQHS-UHFFFAOYSA-N 0 0 294.383 3.579 50 30 CHEARN CCSc1nnc(SCc2ccccc2C#N)s1 ZINC000009498935 170379153 /nfs/dbraw/zinc/37/91/53/170379153.db2.gz GMDHUFJRQSBCST-UHFFFAOYSA-N 0 0 293.442 3.814 50 30 CHEARN CCSc1nnc(SCc2cccc(C#N)c2)s1 ZINC000010025556 170395754 /nfs/dbraw/zinc/39/57/54/170395754.db2.gz BYWGRTYTWDFUBH-UHFFFAOYSA-N 0 0 293.442 3.814 50 30 CHEARN Cc1nc(SC[C@H](O)c2ccccc2)c(C#N)c(C)c1C ZINC000010273213 170402427 /nfs/dbraw/zinc/40/24/27/170402427.db2.gz MKTWWXFNOTYDNL-INIZCTEOSA-N 0 0 298.411 3.704 50 30 CHEARN CC(N=NC(=S)Nc1ccccc1)c1cccs1 ZINC000011990342 170464723 /nfs/dbraw/zinc/46/47/23/170464723.db2.gz YRGSGWYRBFTXOU-GDNBJRDFSA-N 0 0 275.402 3.870 50 30 CHEARN COc1ccc(C(=O)/C=C2\Sc3ccccc3N2C)cc1 ZINC000012466513 170489570 /nfs/dbraw/zinc/48/95/70/170489570.db2.gz UQGDGKXDRXRBGM-BOPFTXTBSA-N 0 0 297.379 3.961 50 30 CHEARN Cc1ccc(Nc2nnc(SCC#N)s2)cc1Cl ZINC000014200315 170624692 /nfs/dbraw/zinc/62/46/92/170624692.db2.gz LRQHUNRAATYTNQ-UHFFFAOYSA-N 0 0 296.808 3.859 50 30 CHEARN CCCC#C/C=C1\Cn2c3ccccc3nc2S1 ZINC000015019542 170654437 /nfs/dbraw/zinc/65/44/37/170654437.db2.gz KQEQIFYCQQRXHB-XYOKQWHBSA-N 0 0 254.358 3.829 50 30 CHEARN Cc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)s1 ZINC000019732892 170847178 /nfs/dbraw/zinc/84/71/78/170847178.db2.gz CEGUMGSHVKGAOL-UHFFFAOYSA-N 0 0 283.400 3.841 50 30 CHEARN N#C[C@H](NCc1ccccc1)c1ccc(Cl)cc1 ZINC000020174199 171041530 /nfs/dbraw/zinc/04/15/30/171041530.db2.gz XIWURKWOFJMTPC-HNNXBMFYSA-N 0 0 256.736 3.694 50 30 CHEARN N#C[C@@H](NCc1ccccc1)c1ccc(Cl)cc1 ZINC000020174201 171041554 /nfs/dbraw/zinc/04/15/54/171041554.db2.gz XIWURKWOFJMTPC-OAHLLOKOSA-N 0 0 256.736 3.694 50 30 CHEARN Cc1nc(NCc2ccccc2)c(C#N)c2c1CCCC2 ZINC000020591063 171261293 /nfs/dbraw/zinc/26/12/93/171261293.db2.gz ZBROFHPOHJSUBT-UHFFFAOYSA-N 0 0 277.371 3.753 50 30 CHEARN Cc1noc2c1[C@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2 ZINC000021660267 171318682 /nfs/dbraw/zinc/31/86/82/171318682.db2.gz HDDFYHDHPONHNK-INIZCTEOSA-N 0 0 294.354 3.856 50 30 CHEARN CCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(C#N)c1 ZINC000022815252 171399976 /nfs/dbraw/zinc/39/99/76/171399976.db2.gz IIBIBPMVGIUYPM-KRWDZBQOSA-N 0 0 291.354 3.535 50 30 CHEARN N#Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 ZINC000023623208 171424351 /nfs/dbraw/zinc/42/43/51/171424351.db2.gz QICJTWFELAYJKK-UHFFFAOYSA-N 0 0 263.325 3.744 50 30 CHEARN Cc1ccc(C(=O)/C=C\c2ccc(O)cc2)cc1C ZINC000033466999 171804959 /nfs/dbraw/zinc/80/49/59/171804959.db2.gz OIXZNNGJCUQUOF-POHAHGRESA-N 0 0 252.313 3.905 50 30 CHEARN C=CCNC(=O)c1sc(-c2ccccc2)cc1OCC ZINC000040145365 174194873 /nfs/dbraw/zinc/19/48/73/174194873.db2.gz UEMHFTVLMXAMNO-UHFFFAOYSA-N 0 0 287.384 3.730 50 30 CHEARN C=CCn1c(S[C@H](C)C#N)nnc1C1CCCCC1 ZINC000040456760 174267705 /nfs/dbraw/zinc/26/77/05/174267705.db2.gz DAWZFXRTZJNTIE-LLVKDONJSA-N 0 0 276.409 3.516 50 30 CHEARN O=C(/C=C/c1csnn1)c1ccc(Cl)cc1Cl ZINC000040549473 174326438 /nfs/dbraw/zinc/32/64/38/174326438.db2.gz ZTHSSHBBQIZRKM-DUXPYHPUSA-N 0 0 285.155 3.741 50 30 CHEARN N#Cc1cc2c(Br)c[nH]c2cc1C(F)(F)F ZINC000040566628 174337894 /nfs/dbraw/zinc/33/78/94/174337894.db2.gz BVMAIEYRGNKDNF-UHFFFAOYSA-N 0 0 289.054 3.821 50 30 CHEARN Cc1nccc(-c2ccc(Br)cc2)c1C#N ZINC000042384244 174704178 /nfs/dbraw/zinc/70/41/78/174704178.db2.gz IGZDAZIQGARTNU-UHFFFAOYSA-N 0 0 273.133 3.691 50 30 CHEARN N#Cc1ccc(N2CCC[C@H]2c2ccsc2)c([N+](=O)[O-])c1 ZINC000048262745 175423717 /nfs/dbraw/zinc/42/37/17/175423717.db2.gz LDGDIENVCMIJJY-ZDUSSCGKSA-N 0 0 299.355 3.869 50 30 CHEARN C[C@H]1CN(Cc2cn3ccccc3c2C#N)c2ccccc21 ZINC000061074344 175642217 /nfs/dbraw/zinc/64/22/17/175642217.db2.gz YNEWQRFYPMBPJX-AWEZNQCLSA-N 0 0 287.366 3.935 50 30 CHEARN CCOc1cc(C#N)ccc1OCc1ncc(C(C)C)o1 ZINC000069775922 175852770 /nfs/dbraw/zinc/85/27/70/175852770.db2.gz CVQHPIUCQCNMOE-UHFFFAOYSA-N 0 0 286.331 3.647 50 30 CHEARN C=C1N(N(C)C)c2ccccc2[C@]1(C)c1ccccc1 ZINC000071771456 176262496 /nfs/dbraw/zinc/26/24/96/176262496.db2.gz NCQKSGYPURVUKW-SFHVURJKSA-N 0 0 264.372 3.803 50 30 CHEARN C=C(Cl)C[S@](=O)Cc1csc(C2CCCC2)n1 ZINC000078394745 177337240 /nfs/dbraw/zinc/33/72/40/177337240.db2.gz IUTKIQJRZRUVEB-QGZVFWFLSA-N 0 0 289.853 3.802 50 30 CHEARN Cc1cc(C(=O)N[C@@H](C#N)C2CCCCC2)sc1C ZINC000087567097 326992998 /nfs/dbraw/zinc/99/29/98/326992998.db2.gz ZWUUNIHYMDFOJS-ZDUSSCGKSA-N 0 0 276.405 3.567 50 30 CHEARN CC1(C)[C@]2(c3ccccc3)[C@@H]3[C@@H]4O[C@@H]4[C@@H]3[C@]12c1ccccc1 ZINC000254735815 328757952 /nfs/dbraw/zinc/75/79/52/328757952.db2.gz XUXASCGAKCXBGC-ORDODBJJSA-N 0 0 288.390 3.929 50 30 CHEARN N#Cc1cnccc1/C=C\c1csc(-c2ccccn2)n1 ZINC000527054078 328823082 /nfs/dbraw/zinc/82/30/82/328823082.db2.gz XLQWWYXEXFDCAC-PLNGDYQASA-N 0 0 290.351 3.642 50 30 CHEARN CC(C)C(=O)[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000037347069 330380226 /nfs/dbraw/zinc/38/02/26/330380226.db2.gz NZQYNMBVIQXSAZ-NSHDSACASA-N 0 0 255.239 3.538 50 30 CHEARN N#C[C@H](C(=O)c1coc2ccccc12)c1ccccc1 ZINC000070392282 333246636 /nfs/dbraw/zinc/24/66/36/333246636.db2.gz DKEHUJVTIZIZIW-AWEZNQCLSA-N 0 0 261.280 3.923 50 30 CHEARN C[C@@H](NC(=O)CC#N)c1ccccc1Oc1ccccc1 ZINC000195567361 336056427 /nfs/dbraw/zinc/05/64/27/336056427.db2.gz CHFUOFHSIHOSLD-CYBMUJFWSA-N 0 0 280.327 3.570 50 30 CHEARN COc1ccc(/C=C(\F)C(=O)c2ccc(OC)cc2)cc1 ZINC000004661979 336187611 /nfs/dbraw/zinc/18/76/11/336187611.db2.gz SISHCHLQPXJIAC-WJDWOHSUSA-N 0 0 286.302 3.897 50 30 biogenic CHEARN C=CCCC(=O)N1CCC[C@H](CCc2ccccc2F)C1 ZINC000065376572 518692985 /nfs/dbraw/zinc/69/29/85/518692985.db2.gz BBSMXZFOGISMON-OAHLLOKOSA-N 0 0 289.394 3.963 50 30 CHEARN C=CCN(C(=O)c1cc2nc(C)ccc2o1)C1CCCC1 ZINC000069879548 518737673 /nfs/dbraw/zinc/73/76/73/518737673.db2.gz FTDDYDUXUJCXFG-UHFFFAOYSA-N 0 0 284.359 3.707 50 30 CHEARN C=CCn1c2ccccc2nc1NCc1ccccc1OC ZINC000000099272 519267499 /nfs/dbraw/zinc/26/74/99/519267499.db2.gz TXEPKFDUZZMFRQ-UHFFFAOYSA-N 0 0 293.370 3.843 50 30 CHEARN C=CCn1c2ccccc2nc1COc1ccccc1OC ZINC000000092295 519267981 /nfs/dbraw/zinc/26/79/81/519267981.db2.gz RJZNJIIDNJHVER-UHFFFAOYSA-N 0 0 294.354 3.810 50 30 CHEARN CC(C)N(CCC#N)C(=O)c1csc(-c2ccccc2)n1 ZINC000069368457 519641508 /nfs/dbraw/zinc/64/15/08/519641508.db2.gz NBQUPLGIVRXYST-UHFFFAOYSA-N 0 0 299.399 3.574 50 30 CHEARN CC(C)CC[C@@H](C)NC(=O)c1cccc2oc(=O)[nH]c21 ZINC000328592647 519679338 /nfs/dbraw/zinc/67/93/38/519679338.db2.gz SAFQIZUMADBRLT-SNVBAGLBSA-N 0 0 276.336 3.663 50 30 CHEARN CCCCCCCCCCCNC(=O)c1cnccn1 ZINC000002086255 520014934 /nfs/dbraw/zinc/01/49/34/520014934.db2.gz MVFSQQFGZNCIPW-UHFFFAOYSA-N 0 0 277.412 3.737 50 30 CHEARN CCCCCCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000002750381 520033912 /nfs/dbraw/zinc/03/39/12/520033912.db2.gz JPAWYQOECZPZRX-UHFFFAOYSA-N 0 0 292.379 3.614 50 30 CHEARN CCCCCCCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000100719458 520035813 /nfs/dbraw/zinc/03/58/13/520035813.db2.gz IFRKLUBDRBFQCW-UHFFFAOYSA-N 0 0 278.352 3.685 50 30 CHEARN CCCCCCCSc1nc2ccccc2c(=O)[nH]1 ZINC000002270826 520065786 /nfs/dbraw/zinc/06/57/86/520065786.db2.gz WRERCAVJLPZPRT-UHFFFAOYSA-N 0 0 276.405 3.986 50 30 CHEARN CCCN(CC#N)Cc1cc(C(C)C)c(C)cc1O ZINC000060208113 521523829 /nfs/dbraw/zinc/52/38/29/521523829.db2.gz XWDVMBCOAQDXOR-UHFFFAOYSA-N 0 0 260.381 3.560 50 30 CHEARN N#CCCCCSCc1cnn(-c2ccccc2)c1 ZINC000097016433 534606166 /nfs/dbraw/zinc/60/61/66/534606166.db2.gz GWBCDPLCLXJZDH-UHFFFAOYSA-N 0 0 271.389 3.799 50 30 CHEARN Cc1nc2ccc(-c3ccc(C(C)(C)C#N)cc3)cn2n1 ZINC000426584001 534648479 /nfs/dbraw/zinc/64/84/79/534648479.db2.gz KHZKFLHJRAGHHA-UHFFFAOYSA-N 0 0 276.343 3.506 50 30 CHEARN N#CCOc1ccc(C(=O)/C=C\c2ccsc2)cc1 ZINC000096792334 534689720 /nfs/dbraw/zinc/68/97/20/534689720.db2.gz AZYDLBXWZSJKHG-BHQIHCQQSA-N 0 0 269.325 3.547 50 30 CHEARN Cc1cccc(C(=N)NOC(=O)CCC2CCCCC2)c1 ZINC000004723551 524148119 /nfs/dbraw/zinc/14/81/19/524148119.db2.gz LERYSSUNTKNTGZ-UHFFFAOYSA-N 0 0 288.391 3.519 50 30 CHEARN CSc1ccc(Cl)c(C(=O)N(C)C2(C#N)CCC2)c1 ZINC000049314242 526009036 /nfs/dbraw/zinc/00/90/36/526009036.db2.gz KJLBMQQWVVEAJH-UHFFFAOYSA-N 0 0 294.807 3.580 50 30 CHEARN N#CCC[C@@H](C#N)COc1cnc2ccc(Cl)cc2c1 ZINC000284055123 526464934 /nfs/dbraw/zinc/46/49/34/526464934.db2.gz SQJKUTFYRRMPPW-NSHDSACASA-N 0 0 285.734 3.711 50 30 CHEARN C=CCNC(=O)/C(=C/c1cccc(OC)c1)c1ccccc1 ZINC000098004341 526520888 /nfs/dbraw/zinc/52/08/88/526520888.db2.gz DNQHLEOUAINXSB-NBVRZTHBSA-N 0 0 293.366 3.538 50 30 CHEARN O=C(/C=C/c1nc2ccccc2[nH]1)c1ccsc1 ZINC000069375018 527650443 /nfs/dbraw/zinc/65/04/43/527650443.db2.gz HMKDSKOXZVHOBR-AATRIKPKSA-N 0 0 254.314 3.521 50 30 CHEARN CCC1(CC)CN(C(=O)c2cc(C#N)c[nH]2)c2ccccc21 ZINC000331497036 529072834 /nfs/dbraw/zinc/07/28/34/529072834.db2.gz BKWUNJRSPAZOHV-UHFFFAOYSA-N 0 0 293.370 3.605 50 30 CHEARN N#Cc1cc(N)ccc1Sc1ccc(Cl)cc1 ZINC000001383081 566867230 /nfs/dbraw/zinc/86/72/30/566867230.db2.gz RXFCFVUSGXCZPN-UHFFFAOYSA-N 0 0 260.749 3.945 50 30 CHEARN CSc1nsc(C=CNc2ccc(F)cc2)c1C#N ZINC000100381635 567870676 /nfs/dbraw/zinc/87/06/76/567870676.db2.gz SDAFHXWDHYZMQF-VOTSOKGWSA-N 0 0 291.376 3.959 50 30 CHEARN N#CCCN1CCc2sccc2[C@H]1c1cccs1 ZINC000025697799 570230674 /nfs/dbraw/zinc/23/06/74/570230674.db2.gz FVVOOQNAYQUWAK-AWEZNQCLSA-N 0 0 274.414 3.671 50 30 CHEARN N#CCc1cc(OC(F)F)cc(Cl)c1Cl ZINC000263623796 570325596 /nfs/dbraw/zinc/32/55/96/570325596.db2.gz KVBXMMPFEQZOKI-UHFFFAOYSA-N 0 0 252.047 3.661 50 30 CHEARN COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(OC)c1 ZINC000004252716 560197908 /nfs/dbraw/zinc/19/79/08/560197908.db2.gz DRGVZVJDZOMQAI-MDZDMXLPSA-N 0 0 298.338 3.609 50 30 biogenic,in-vitro CHEARN Cc1ccccc1C(=O)ON=C1C=C(C(C)C)C(=O)C=C1C ZINC000254394997 566834079 /nfs/dbraw/zinc/83/40/79/566834079.db2.gz CMOJHDQJJPIVEC-UHFFFAOYSA-N 0 0 297.354 3.619 50 30 CHEARN Cc1csc(N=NCc2ccccc2Cl)n1 ZINC000004038825 566855761 /nfs/dbraw/zinc/85/57/61/566855761.db2.gz NFMRZNMQMTXSTI-AWNIVKPZSA-N 0 0 251.742 3.551 50 30 CHEARN N#Cc1ccc(-c2ccc(Br)cc2)[nH]c1=S ZINC000001272311 566859634 /nfs/dbraw/zinc/85/96/34/566859634.db2.gz OJCSWGMWMKYCHM-UHFFFAOYSA-N 0 0 291.173 3.671 50 30 CHEARN N#Cc1ccc(NCCOc2ccc3ccccc3c2)nc1 ZINC000012764814 566881308 /nfs/dbraw/zinc/88/13/08/566881308.db2.gz HWZXUHNGGDKUMG-UHFFFAOYSA-N 0 0 289.338 3.597 50 30 CHEARN N#Cc1cccnc1Sc1nc2ccccc2s1 ZINC000019846561 566886082 /nfs/dbraw/zinc/88/60/82/566886082.db2.gz OVSVLYYYOWAQTE-UHFFFAOYSA-N 0 0 269.354 3.714 50 30 CHEARN C=CCCC[C@@H](C=C)S(=O)(=O)c1ccc(C)cc1 ZINC000002074659 566901384 /nfs/dbraw/zinc/90/13/84/566901384.db2.gz QIWXZMRMBMTRGY-CQSZACIVSA-N 0 0 264.390 3.680 50 30 CHEARN C=CCSc1nc(C)cc(C(F)(F)F)c1C#N ZINC000002028087 566901933 /nfs/dbraw/zinc/90/19/33/566901933.db2.gz QDRWREIJLFZDSK-UHFFFAOYSA-N 0 0 258.268 3.559 50 30 CHEARN COc1ccccc1NC(=O)ON=C1CCCCC1 ZINC000004774893 566911373 /nfs/dbraw/zinc/91/13/73/566911373.db2.gz DGEMIYAJOWGVOV-UHFFFAOYSA-N 0 0 262.309 3.564 50 30 CHEARN O=[N+]([O-])c1ccc(/N=C/c2ccccc2O)c(Cl)c1 ZINC000004774957 566912422 /nfs/dbraw/zinc/91/24/22/566912422.db2.gz CSTFYHVKWCNYHM-OVCLIPMQSA-N 0 0 276.679 3.704 50 30 CHEARN CC(=O)Nc1ccc(/C=N/c2ccc(F)cc2)cc1 ZINC000002167127 566914394 /nfs/dbraw/zinc/91/43/94/566914394.db2.gz KGSDMLFUUFLTGG-LICLKQGHSA-N 0 0 256.280 3.535 50 30 CHEARN C=C(CP(=O)(OCC)OCC)c1ccccc1 ZINC000043214630 566917235 /nfs/dbraw/zinc/91/72/35/566917235.db2.gz RLKPZAJMZSWRSO-UHFFFAOYSA-N 0 0 254.266 3.966 50 30 CHEARN C=C(C)CCC[S@@](=O)c1nc2ccccc2s1 ZINC000043199219 566917287 /nfs/dbraw/zinc/91/72/87/566917287.db2.gz RIRKTLSGEFPFTO-KRWDZBQOSA-N 0 0 265.403 3.760 50 30 CHEARN ON=Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000252463115 566960464 /nfs/dbraw/zinc/96/04/64/566960464.db2.gz YYEWUCQKHVBSBC-UHFFFAOYSA-N 0 0 266.094 3.517 50 30 CHEARN c1ccc(CN=Nc2nnc(-c3ccccc3)s2)cc1 ZINC000252623879 566961050 /nfs/dbraw/zinc/96/10/50/566961050.db2.gz PBKKLBRNIVRGHL-UHFFFAOYSA-N 0 0 280.356 3.651 50 30 CHEARN COc1ccc2ncc(C#N)c(Nc3cccc(F)c3)c2c1 ZINC000064438780 566977414 /nfs/dbraw/zinc/97/74/14/566977414.db2.gz FCRPZHWYQIDDQI-UHFFFAOYSA-N 0 0 293.301 3.998 50 30 CHEARN COc1ccc2c(c1)ncc(C#N)c2Nc1cccc(F)c1 ZINC000064438696 566977636 /nfs/dbraw/zinc/97/76/36/566977636.db2.gz SOZOUVDLDDAYAA-UHFFFAOYSA-N 0 0 293.301 3.998 50 30 CHEARN N#Cc1cnc2cc(F)c(Br)cc2c1Cl ZINC000016697142 566983824 /nfs/dbraw/zinc/98/38/24/566983824.db2.gz PUSFOSHTEIMZEI-UHFFFAOYSA-N 0 0 285.503 3.661 50 30 CHEARN CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(=S)[nH]1 ZINC000001293747 567035707 /nfs/dbraw/zinc/03/57/07/567035707.db2.gz VDXISBWHJGJYKM-UHFFFAOYSA-N 0 0 260.284 3.932 50 30 CHEARN COc1cccc(C=Nc2ccc(C)c(F)c2)c1O ZINC000252461212 567051046 /nfs/dbraw/zinc/05/10/46/567051046.db2.gz LIAXUEYFJGDEDE-UHFFFAOYSA-N 0 0 259.280 3.599 50 30 CHEARN CCC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000252461433 567051450 /nfs/dbraw/zinc/05/14/50/567051450.db2.gz MIRCMPADDGVULU-UHFFFAOYSA-N 0 0 285.303 3.527 50 30 CHEARN O=[N+]([O-])c1ccc(F)c(N=Cc2cccs2)c1 ZINC000252461935 567051495 /nfs/dbraw/zinc/05/14/95/567051495.db2.gz OKAJPZPOWWDYPO-UHFFFAOYSA-N 0 0 250.254 3.546 50 30 CHEARN Cc1ccc(C)c(N=Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000252462594 567052014 /nfs/dbraw/zinc/05/20/14/567052014.db2.gz UPNBNWVLXAHCNJ-UHFFFAOYSA-N 0 0 254.289 3.962 50 30 CHEARN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)C(C)C ZINC000054538169 567058897 /nfs/dbraw/zinc/05/88/97/567058897.db2.gz FEZSYCBZVKKGQX-LBPRGKRZSA-N 0 0 289.379 3.511 50 30 CHEARN C[C@@H](Nc1ncnc2ccc(F)cc21)c1cccc(C#N)c1 ZINC000170644298 567061261 /nfs/dbraw/zinc/06/12/61/567061261.db2.gz YSVSHETUTBLADU-LLVKDONJSA-N 0 0 292.317 3.814 50 30 CHEARN Cc1ccc(N=Cc2cc3c(cc2[N+](=O)[O-])OCO3)c(C)c1 ZINC000252623790 567067394 /nfs/dbraw/zinc/06/73/94/567067394.db2.gz OZFHCCRPOFYAIT-UHFFFAOYSA-N 0 0 298.298 3.691 50 30 CHEARN COC(=O)c1ccc(C=Nc2cc(C)c(C)cc2O)cc1 ZINC000252626928 567070262 /nfs/dbraw/zinc/07/02/62/567070262.db2.gz RIKLNEUHOVMJDJ-UHFFFAOYSA-N 0 0 283.327 3.546 50 30 CHEARN N#Cc1ccccc1NC(=O)CCc1ccccc1Cl ZINC000010457591 567112160 /nfs/dbraw/zinc/11/21/60/567112160.db2.gz DULQKDIGJOFRLM-UHFFFAOYSA-N 0 0 284.746 3.783 50 30 CHEARN Cc1ccc(C)c(CCC(=O)c2ccccc2C#N)c1 ZINC000002517530 567120828 /nfs/dbraw/zinc/12/08/28/567120828.db2.gz XWXKZEWQNIBTAF-UHFFFAOYSA-N 0 0 263.340 3.991 50 30 CHEARN Cc1cc2ncn(Cc3cc(C#N)ccc3F)c2cc1C ZINC000019804787 567123831 /nfs/dbraw/zinc/12/38/31/567123831.db2.gz GJJGJZODRBQLDW-UHFFFAOYSA-N 0 0 279.318 3.712 50 30 CHEARN COc1ccc(Cl)cc1NCc1ccccc1C#N ZINC000020048783 567125364 /nfs/dbraw/zinc/12/53/64/567125364.db2.gz JSPNEIBFULNFDC-UHFFFAOYSA-N 0 0 272.735 3.832 50 30 CHEARN CCCc1nc(N)c(C#N)c(-c2cccs2)c1CC ZINC000020058390 567126495 /nfs/dbraw/zinc/12/64/95/567126495.db2.gz BACZJLWCCLCSSR-UHFFFAOYSA-N 0 0 271.389 3.779 50 30 CHEARN Cc1cc2nc(-c3ccc(C#CCCO)cc3)[nH]c2cc1C ZINC000055382761 567145543 /nfs/dbraw/zinc/14/55/43/567145543.db2.gz UOGDNLWZQOBDBX-UHFFFAOYSA-N 0 0 290.366 3.581 50 30 CHEARN COC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000002752855 567153056 /nfs/dbraw/zinc/15/30/56/567153056.db2.gz KBXUSWAHZUYCAW-SECBINFHSA-N 0 0 292.404 3.949 50 30 CHEARN COc1cccc(-c2nc(C(C)C)ccc2C#N)c1OC ZINC000216384843 567156636 /nfs/dbraw/zinc/15/66/36/567156636.db2.gz MRNFZRBEKPOEDQ-UHFFFAOYSA-N 0 0 282.343 3.761 50 30 CHEARN COc1cccc(C(=O)/C=C/c2ccc(F)c(F)c2)c1 ZINC000057437956 567158802 /nfs/dbraw/zinc/15/88/02/567158802.db2.gz PKRSSOUXYQGFTG-SOFGYWHQSA-N 0 0 274.266 3.870 50 30 CHEARN N#Cc1c2sc3ccccc3n2c(=O)c2ccccc12 ZINC000003192093 567163475 /nfs/dbraw/zinc/16/34/75/567163475.db2.gz SGKJWEURKSXICM-UHFFFAOYSA-N 0 0 276.320 3.539 50 30 CHEARN CCCCCC[C@@H]1CC(=O)C=C(C)[C@H]1C(=O)OCC ZINC000004023760 567184346 /nfs/dbraw/zinc/18/43/46/567184346.db2.gz DMEWCRDHMNIMEM-UKRRQHHQSA-N 0 0 266.381 3.671 50 30 biogenic CHEARN Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)o1 ZINC000004192050 567189464 /nfs/dbraw/zinc/18/94/64/567189464.db2.gz XXURVONXIXWFJN-JXMROGBWSA-N 0 0 255.317 3.550 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccccc2)c(OC)c1 ZINC000004293591 567192862 /nfs/dbraw/zinc/19/28/62/567192862.db2.gz WIVAGKMXNMVMFC-PKNBQFBNSA-N 0 0 268.312 3.600 50 30 biogenic CHEARN CC(=NNc1ccccc1)c1cc(Cl)ccc1O ZINC000100066983 567217548 /nfs/dbraw/zinc/21/75/48/567217548.db2.gz JFBPXTKSRDRZFA-MHWRWJLKSA-N 0 0 260.724 3.882 50 30 CHEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccccc1)CC2 ZINC000000084766 567817830 /nfs/dbraw/zinc/81/78/30/567817830.db2.gz HGRSNNZOANAXRB-RVDMUPIBSA-N 0 0 264.324 3.908 50 30 CHEARN O=C(/C=C/c1ccccc1)O/N=C/c1ccc(Cl)cc1 ZINC000000087474 567817911 /nfs/dbraw/zinc/81/79/11/567817911.db2.gz LHYGNEPQWCAIKH-BUJDNCMTSA-N 0 0 285.730 3.931 50 30 CHEARN C/C(=N\Cc1ccc(C#N)cc1)c1c(C)cc(C)cc1O ZINC000000098150 567818327 /nfs/dbraw/zinc/81/83/27/567818327.db2.gz KXHWWDZGVZRHIW-XSFVSMFZSA-N 0 0 278.355 3.890 50 30 CHEARN CSc1ccc(C(F)(F)F)cc1C(=O)/C=C/N(C)C ZINC000000143145 567820052 /nfs/dbraw/zinc/82/00/52/567820052.db2.gz WFUHKIAIXQXUDE-VOTSOKGWSA-N 0 0 289.322 3.685 50 30 CHEARN Cn1ccnc1S/C=C/C(=O)c1ccc(Cl)cc1 ZINC000000174164 567821343 /nfs/dbraw/zinc/82/13/43/567821343.db2.gz BHHQHFOXDICWSR-RMKNXTFCSA-N 0 0 278.764 3.562 50 30 CHEARN COc1ccccc1-c1ccc(C=C(C(C)=O)C(C)=O)o1 ZINC000000187038 567821697 /nfs/dbraw/zinc/82/16/97/567821697.db2.gz ABDKVNUALOFUCX-UHFFFAOYSA-N 0 0 284.311 3.517 50 30 CHEARN Cc1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1Cl ZINC000000216846 567822318 /nfs/dbraw/zinc/82/23/18/567822318.db2.gz PRLUGCHDDCQMDZ-UHFFFAOYSA-N 0 0 291.778 3.902 50 30 CHEARN CC(C)C[C@H](C#N)OC(=O)c1ccc(Br)cc1 ZINC000000338962 567825499 /nfs/dbraw/zinc/82/54/99/567825499.db2.gz GZEKXQISSXNPAI-GFCCVEGCSA-N 0 0 296.164 3.544 50 30 CHEARN CC1=C(C)C(=O)c2c(Cl)c3ccccc3c(O)c2C1=O ZINC000000401277 567829446 /nfs/dbraw/zinc/82/94/46/567829446.db2.gz WTMBPVVATFGLLI-UHFFFAOYSA-N 0 0 286.714 3.914 50 30 CHEARN Cc1ccc(CC2=CC(=O)c3ccccc3C2=O)cc1 ZINC000000434167 567830145 /nfs/dbraw/zinc/83/01/45/567830145.db2.gz FYCHQHNRAGKTNF-UHFFFAOYSA-N 0 0 262.308 3.543 50 30 CHEARN Cc1ccc(C(=O)C=CNc2ccc(C)cc2O)cc1 ZINC000000463475 567831520 /nfs/dbraw/zinc/83/15/20/567831520.db2.gz BPVPFSPSWFUTTP-MDZDMXLPSA-N 0 0 267.328 3.818 50 30 CHEARN Cc1cc(O)ccc1NC=CC(=O)c1ccccc1 ZINC000000463011 567831715 /nfs/dbraw/zinc/83/17/15/567831715.db2.gz BXLIBPODISCCAC-MDZDMXLPSA-N 0 0 253.301 3.509 50 30 CHEARN CC1=Cc2ccccc2[C@@H](C#N)N1C(=O)c1ccccc1 ZINC000000478191 567832799 /nfs/dbraw/zinc/83/27/99/567832799.db2.gz XZDFOLUDAFZNQX-QGZVFWFLSA-N 0 0 274.323 3.768 50 30 CHEARN C=CCc1cccc(C=Nc2ccc3[nH]cnc3c2)c1O ZINC000001233351 567836396 /nfs/dbraw/zinc/83/63/96/567836396.db2.gz FPFJLAICEVSCHG-VCHYOVAHSA-N 0 0 277.327 3.748 50 30 CHEARN COc1cccc(/C=N/c2cccc(Cl)c2)c1O ZINC000002143149 567844797 /nfs/dbraw/zinc/84/47/97/567844797.db2.gz HJIVIDAUWQSCBR-CXUHLZMHSA-N 0 0 261.708 3.805 50 30 CHEARN Cc1c(C#N)c2nc3ccccc3n2c(Cl)c1CCC#N ZINC000002362956 567845681 /nfs/dbraw/zinc/84/56/81/567845681.db2.gz RGGOHSDXPOPRSK-UHFFFAOYSA-N 0 0 294.745 3.777 50 30 CHEARN COC(=O)N=C(Nc1c(C)cc(C)cc1C)C(F)(F)F ZINC000002689690 567848607 /nfs/dbraw/zinc/84/86/07/567848607.db2.gz ICTNYEZZJMWSKB-UHFFFAOYSA-N 0 0 288.269 3.751 50 30 CHEARN N#CCSC1=CC(=O)C[C@H](c2ccccc2)S1 ZINC000003119134 567851518 /nfs/dbraw/zinc/85/15/18/567851518.db2.gz HFXPZYLEEUQZSV-GFCCVEGCSA-N 0 0 261.371 3.532 50 30 CHEARN N#CCCN(Cc1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000004325147 567856938 /nfs/dbraw/zinc/85/69/38/567856938.db2.gz DUPDPCSNQHJOJY-UHFFFAOYSA-N 0 0 297.333 3.773 50 30 CHEARN Clc1ccc(CN=Nc2ncnc3sccc32)cc1 ZINC000004324102 567856939 /nfs/dbraw/zinc/85/69/39/567856939.db2.gz ZEOKRGDNJLVBAA-REZTVBANSA-N 0 0 288.763 3.791 50 30 CHEARN Cc1ccc(CN=Nc2nc(C(C)(C)C)cs2)o1 ZINC000004590901 567858485 /nfs/dbraw/zinc/85/84/85/567858485.db2.gz ZQIPGMMXNTXGPR-VGOFMYFVSA-N 0 0 263.366 3.788 50 30 CHEARN C[C@@H]1CCC[C@@H](C)N1/N=C/c1ccc(Cl)cc1 ZINC000004670589 567858956 /nfs/dbraw/zinc/85/89/56/567858956.db2.gz IYADXABJUNSORD-DYBVGFEPSA-N 0 0 250.773 3.937 50 30 CHEARN CCCCC1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 ZINC000002692992 567860092 /nfs/dbraw/zinc/86/00/92/567860092.db2.gz JQHBRGLPRVEFMF-UHFFFAOYSA-N 0 0 274.360 3.837 50 30 CHEARN CCCN1C(=O)c2ccccc2N[C@H]1c1cccc(C#N)c1 ZINC000022815257 567861020 /nfs/dbraw/zinc/86/10/20/567861020.db2.gz IIBIBPMVGIUYPM-QGZVFWFLSA-N 0 0 291.354 3.535 50 30 CHEARN CNc1ccccc(C(=O)/C=C\c2cccc(Cl)c2)c1=O ZINC000097474732 567861112 /nfs/dbraw/zinc/86/11/12/567861112.db2.gz VARPDNRZSSZRJQ-KTKRTIGZSA-N 0 0 299.757 3.638 50 30 CHEARN CC[C@@H](C)Oc1ccc(C(=O)Nc2ccccc2C#N)cc1 ZINC000010288005 567861444 /nfs/dbraw/zinc/86/14/44/567861444.db2.gz SAZUOYHLVYXULN-CYBMUJFWSA-N 0 0 294.354 3.988 50 30 CHEARN COc1ccc(/C=C2/Cc3ccccc3C2=O)cc1 ZINC000012368764 567862592 /nfs/dbraw/zinc/86/25/92/567862592.db2.gz VBOMEZWDBOXOKE-UVTDQMKNSA-N 0 0 250.297 3.518 50 30 CHEARN Oc1ccccc1/N=C/c1ccc(N2CCCC2)cc1 ZINC000015224833 567870820 /nfs/dbraw/zinc/87/08/20/567870820.db2.gz XVXUUDORRGUCQI-QGOAFFKASA-N 0 0 266.344 3.743 50 30 CHEARN C[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccc(C#N)cc1 ZINC000032923531 567873884 /nfs/dbraw/zinc/87/38/84/567873884.db2.gz FVHLOVXIWSVTTO-SECBINFHSA-N 0 0 292.264 3.540 50 30 CHEARN CCc1ccc(C(=O)C=CNc2cccc(O)c2)cc1 ZINC000017111174 567874770 /nfs/dbraw/zinc/87/47/70/567874770.db2.gz HUNILBOWNWBDHL-KHPPLWFESA-N 0 0 267.328 3.763 50 30 CHEARN O=C1CCCCC1=NNc1ccc(N2CCCCC2)cc1 ZINC000018118555 567876383 /nfs/dbraw/zinc/87/63/83/567876383.db2.gz SUFSHLSOMFYULF-MNDPQUGUSA-N 0 0 285.391 3.588 50 30 CHEARN O=[N+]([O-])c1cc(/C=N/c2ccccc2)ccc1Cl ZINC000018136804 567876448 /nfs/dbraw/zinc/87/64/48/567876448.db2.gz UZRNGXCNFJBATO-OQLLNIDSSA-N 0 0 260.680 3.999 50 30 CHEARN CN1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1ccc(C#N)cc1 ZINC000013468686 567876955 /nfs/dbraw/zinc/87/69/55/567876955.db2.gz CLQGFPUYYQAGDB-HKUYNNGSSA-N 0 0 287.366 3.511 50 30 CHEARN N#CCSc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000029485215 567884226 /nfs/dbraw/zinc/88/42/26/567884226.db2.gz DQLVNEOUCNDWNS-UHFFFAOYSA-N 0 0 286.331 3.694 50 30 CHEARN CC(C)CCNC1=CC(=O)C[C@H](c2ccccc2)C1 ZINC000017489038 567887830 /nfs/dbraw/zinc/88/78/30/567887830.db2.gz UIUGNECNLFIJLY-OAHLLOKOSA-N 0 0 257.377 3.653 50 30 CHEARN N#C[C@@H]1C=Cc2ccccc2N1C(=O)c1c(F)cccc1F ZINC000042784400 567892156 /nfs/dbraw/zinc/89/21/56/567892156.db2.gz PODFWEHPONGBPM-LBPRGKRZSA-N 0 0 296.276 3.531 50 30 CHEARN CC(Nc1ccc2ccccc2c1)=C1C(=O)CCCC1=O ZINC000109887023 567893852 /nfs/dbraw/zinc/89/38/52/567893852.db2.gz QJASJGXSMBUZMK-UHFFFAOYSA-N 0 0 279.339 3.848 50 30 CHEARN Brc1ccc(C#Cc2cccs2)cc1 ZINC000000062821 567906675 /nfs/dbraw/zinc/90/66/75/567906675.db2.gz BBXUENSTFJPRLY-UHFFFAOYSA-N 0 0 263.159 3.910 50 30 CHEARN N#C[C@H]1c2ccccc2C=CN1C(=O)c1ccc(F)cc1 ZINC000000104457 567907153 /nfs/dbraw/zinc/90/71/53/567907153.db2.gz ODULREKDLNYKAC-INIZCTEOSA-N 0 0 278.286 3.517 50 30 CHEARN Cc1oc(C)c(C(=O)OCc2cc(C#N)ccc2F)c1C ZINC000029904060 567907501 /nfs/dbraw/zinc/90/75/01/567907501.db2.gz NVCAVWSFJNBZBD-UHFFFAOYSA-N 0 0 287.290 3.573 50 30 CHEARN CCCCNC=C1Sc2ccc(OCC)cc2C1=O ZINC000100177428 567912365 /nfs/dbraw/zinc/91/23/65/567912365.db2.gz VWIHKZIDWNTGEL-GXDHUFHOSA-N 0 0 277.389 3.605 50 30 CHEARN Cc1ccc(C/N=C/c2c(Cl)nc3sccn23)cc1 ZINC000100334780 567912899 /nfs/dbraw/zinc/91/28/99/567912899.db2.gz KXCVXUAOQIAFBH-CXUHLZMHSA-N 0 0 289.791 3.977 50 30 CHEARN O=C1c2ccccc2SC1=CNc1ccccc1 ZINC000100435980 567913200 /nfs/dbraw/zinc/91/32/00/567913200.db2.gz SUEHJOACODGULB-GXDHUFHOSA-N 0 0 253.326 3.929 50 30 CHEARN CCCCCCCCCC(=O)NCc1ccccn1 ZINC000100720117 567913744 /nfs/dbraw/zinc/91/37/44/567913744.db2.gz FMJXBGMZFXCNLD-UHFFFAOYSA-N 0 0 262.397 3.839 50 30 CHEARN O=C1C=C(NCc2ccc(F)cc2)C[C@H](c2ccccc2)C1 ZINC000100864011 567913933 /nfs/dbraw/zinc/91/39/33/567913933.db2.gz HRQXVHYNFMVEKD-INIZCTEOSA-N 0 0 295.357 3.946 50 30 CHEARN CC(NN(C)c1ccccc1)=C1C(=O)CC(C)(C)CC1=O ZINC000102624435 567915469 /nfs/dbraw/zinc/91/54/69/567915469.db2.gz ZCGLEGKLCQSRRW-LDADJPATSA-N 0 0 286.375 3.700 50 30 CHEARN Cc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1 ZINC000103638327 567915646 /nfs/dbraw/zinc/91/56/46/567915646.db2.gz KWQMKOBPAORKJP-SDXDJHTJSA-N 0 0 263.296 3.754 50 30 CHEARN COc1ccc(C(=O)/C=C\c2ccccc2F)cc1OC ZINC000033396158 567916517 /nfs/dbraw/zinc/91/65/17/567916517.db2.gz KTVOJUDTZADZKS-CLFYSBASSA-N 0 0 286.302 3.739 50 30 CHEARN COc1cccc(/C=N/c2cc(C(C)C)ccc2O)c1O ZINC000095482086 567917018 /nfs/dbraw/zinc/91/70/18/567917018.db2.gz SDSVPEPNONHXLQ-VCHYOVAHSA-N 0 0 285.343 3.980 50 30 CHEARN N#Cc1ccc(OC(=O)/C(F)=C(\F)c2ccccc2)cc1 ZINC000000137013 567923564 /nfs/dbraw/zinc/92/35/64/567923564.db2.gz HKKSFKHSLDOYDZ-CCEZHUSRSA-N 0 0 285.249 3.771 50 30 CHEARN Cc1ccccc1NCc1c(C#N)c2ccccc2n1C ZINC000000194765 567924665 /nfs/dbraw/zinc/92/46/65/567924665.db2.gz UVBMDGHILWDPPX-UHFFFAOYSA-N 0 0 275.355 3.971 50 30 CHEARN Cc1cc(C)c(C#N)c(Nc2ccccc2Cl)n1 ZINC000000198384 567925115 /nfs/dbraw/zinc/92/51/15/567925115.db2.gz JDXRJWWAPIGALZ-UHFFFAOYSA-N 0 0 257.724 3.967 50 30 aggregator CHEARN Oc1ccc(/N=C/c2ccc(Br)cc2)cc1 ZINC000000244623 567925529 /nfs/dbraw/zinc/92/55/29/567925529.db2.gz LESJEGBXKPKDPV-OQLLNIDSSA-N 0 0 276.133 3.905 50 30 CHEARN CC[C@@H]1/C(=N\O)C[C@@H](c2ccco2)N[C@@H]1c1ccco1 ZINC000100492700 567927554 /nfs/dbraw/zinc/92/75/54/567927554.db2.gz RJPIWROLZXALRW-ZDJWXNCOSA-N 0 0 274.320 3.505 50 30 CHEARN Fc1cccc(NC(=S)NNc2ccccc2)c1 ZINC000000072462 567927980 /nfs/dbraw/zinc/92/79/80/567927980.db2.gz HPVOAIARCOWASA-UHFFFAOYSA-N 0 0 261.325 3.551 50 30 CHEARN Cc1[nH]c2c(c3nc4ccccc4c1-3)C(=NN)CC(C)(C)C2 ZINC000100749337 567928527 /nfs/dbraw/zinc/92/85/27/567928527.db2.gz IHBRBXKSIBNSBE-HMAPJEAMSA-N 0 0 292.386 3.660 50 30 biogenic CHEARN Cc1cc(Cl)ccc1OC(=O)c1cccc(C#N)c1 ZINC000003518823 567932464 /nfs/dbraw/zinc/93/24/64/567932464.db2.gz IHXCEIIYBYYCEC-UHFFFAOYSA-N 0 0 271.703 3.739 50 30 CHEARN N#CCCn1c2ccccc2nc1C1CCCCC1 ZINC000017364049 567935014 /nfs/dbraw/zinc/93/50/14/567935014.db2.gz VLTCMSGBAOGGPH-UHFFFAOYSA-N 0 0 253.349 3.998 50 30 CHEARN O=C1/C(=C/c2ccccn2)CCC/C1=C\c1ccccn1 ZINC000017720937 567935782 /nfs/dbraw/zinc/93/57/82/567935782.db2.gz XGSSZHVOEBSAQQ-QUMQEAAQSA-N 0 0 276.339 3.697 50 30 CHEARN COC1C=C(C=NC2CCCCC2)C(=S)S1 ZINC000000500517 567940387 /nfs/dbraw/zinc/94/03/87/567940387.db2.gz ZCDHBZSIKXUFJN-MDWZMJQESA-N 0 0 255.408 3.797 50 30 CHEARN Cc1ccc(C(=O)C=CNc2cc(C)ccn2)cc1 ZINC000101479497 567941183 /nfs/dbraw/zinc/94/11/83/567941183.db2.gz LEDIUWGJIGHYIS-CSKARUKUSA-N 0 0 252.317 3.507 50 30 CHEARN O=C(C=C1Nc2ccccc2N1)c1cccc(Cl)c1 ZINC000101491340 567941202 /nfs/dbraw/zinc/94/12/02/567941202.db2.gz BGXNFQBYKMSOPI-UHFFFAOYSA-N 0 0 270.719 3.902 50 30 CHEARN C[C@@]1(C(=O)/C=C/c2ccccc2)O[C@H]1c1ccccc1 ZINC000000522868 567942412 /nfs/dbraw/zinc/94/24/12/567942412.db2.gz BUFDWJZETKCZNJ-IZGBJUCLSA-N 0 0 264.324 3.799 50 30 CHEARN CO[P@](=O)(C#CC(C)(C)C)[C@H](O)c1ccc(F)cc1 ZINC000000547423 567942941 /nfs/dbraw/zinc/94/29/41/567942941.db2.gz NKTJBGHVZOODSW-ORAYPTAESA-N 0 0 284.267 3.748 50 30 CHEARN C[C@H]1CCCc2c(-c3ccccc3)c(C#N)c(N)nc21 ZINC000019095732 567943044 /nfs/dbraw/zinc/94/30/44/567943044.db2.gz QEZKPMXRGSAPLE-NSHDSACASA-N 0 0 263.344 3.642 50 30 CHEARN CSC(SC)=C1CC/C(=C\c2ccco2)C1=O ZINC000051329785 567944865 /nfs/dbraw/zinc/94/48/65/567944865.db2.gz UJZDAQSESZQXSN-CMDGGOBGSA-N 0 0 266.387 3.964 50 30 CHEARN Cc1cc(F)ccc1NC=CC(=O)c1ccc2c(c1)OCO2 ZINC000044842730 567946018 /nfs/dbraw/zinc/94/60/18/567946018.db2.gz PATDSUSMSKXPIO-VOTSOKGWSA-N 0 0 299.301 3.671 50 30 CHEARN O=C1c2cc(Cl)ccc2SC/C1=C\c1csnn1 ZINC000045745752 567946264 /nfs/dbraw/zinc/94/62/64/567946264.db2.gz KHZLHCVHOJWMSV-XVNBXDOJSA-N 0 0 294.788 3.564 50 30 CHEARN CCN(C[C@@H](C)C#N)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000048951720 567946641 /nfs/dbraw/zinc/94/66/41/567946641.db2.gz SNKNXFJJEMJPTK-JTQLQIEISA-N 0 0 290.750 3.708 50 30 CHEARN C=CCNC(=S)Nc1ccccc1-c1ccccc1 ZINC000002994599 567952402 /nfs/dbraw/zinc/95/24/02/567952402.db2.gz MDQJGGKECVDEQY-UHFFFAOYSA-N 0 0 268.385 3.826 50 30 CHEARN CCCCc1nnc(NC(=O)c2ccc[nH]c2=S)s1 ZINC000024923648 570228162 /nfs/dbraw/zinc/22/81/62/570228162.db2.gz NDTQPGSIUZDYTL-UHFFFAOYSA-N 0 0 294.405 3.575 50 30 CHEARN Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000247448102 570253993 /nfs/dbraw/zinc/25/39/93/570253993.db2.gz YRHWYOMJQGYPPD-BRWVUGGUSA-N 0 0 281.403 3.616 50 30 CHEARN CC(=O)Nc1ccc(/N=C/c2ccc(F)cc2)cc1 ZINC000100042041 570257516 /nfs/dbraw/zinc/25/75/16/570257516.db2.gz ZPYMFRAMKUPJFN-LICLKQGHSA-N 0 0 256.280 3.535 50 30 CHEARN C=C(C)COc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000002811830 570302353 /nfs/dbraw/zinc/30/23/53/570302353.db2.gz RCVXAUUPXLQHFJ-UHFFFAOYSA-N 0 0 284.233 3.767 50 30 biogenic CHEARN C=C(C)COc1cccc(CN(C)[C@@H](C)c2ccncn2)c1 ZINC000063846262 570334846 /nfs/dbraw/zinc/33/48/46/570334846.db2.gz RVBIZBHERXRUSF-HNNXBMFYSA-N 0 0 297.402 3.625 50 30 CHEARN C=CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000012343888 570339760 /nfs/dbraw/zinc/33/97/60/570339760.db2.gz XVUARMUHEFYMQP-UHFFFAOYSA-N 0 0 271.291 3.643 50 30 CHEARN C=CCc1cc(C(=O)Nc2ccccc2F)ccc1OC ZINC000014398800 570340672 /nfs/dbraw/zinc/34/06/72/570340672.db2.gz JYCSSOOFUXZOJR-UHFFFAOYSA-N 0 0 285.318 3.815 50 30 CHEARN CCCCN(CCCC)C(=O)C(C)=NNc1ccccc1 ZINC000670420737 570354626 /nfs/dbraw/zinc/35/46/26/570354626.db2.gz TXROZKWXKGERIX-OBGWFSINSA-N 0 0 289.423 3.903 50 30 CHEARN CC(=NOC(=O)/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000252633880 570376910 /nfs/dbraw/zinc/37/69/10/570376910.db2.gz WIAUVMXWAVZQCD-USDPNEGZSA-N 0 0 283.302 3.806 50 30 CHEARN CN1N=C2c3ccccc3CC[C@@H]2[C@H]1c1ccc(C#N)cc1 ZINC000000103266 570386499 /nfs/dbraw/zinc/38/64/99/570386499.db2.gz CLQGFPUYYQAGDB-PKOBYXMFSA-N 0 0 287.366 3.511 50 30 CHEARN CCCC[C@H]1C=CCN1C(=O)Nc1ccc(C#N)cc1F ZINC000299790927 570387806 /nfs/dbraw/zinc/38/78/06/570387806.db2.gz BQOGUHOYZYUWMK-ZDUSSCGKSA-N 0 0 287.338 3.660 50 30 CHEARN C=CCO[C@H](C)C(=O)N[C@@H](CCC)c1ccc(F)cc1F ZINC000079102264 570396554 /nfs/dbraw/zinc/39/65/54/570396554.db2.gz QCTMVCOXTNQULM-ABAIWWIYSA-N 0 0 297.345 3.513 50 30 CHEARN C=CCC(CC=C)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000079101881 570396581 /nfs/dbraw/zinc/39/65/81/570396581.db2.gz XIDWNJBCMJFQDG-UHFFFAOYSA-N 0 0 289.394 3.988 50 30 CHEARN Cc1sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c(C#N)c1C ZINC000002729698 570397984 /nfs/dbraw/zinc/39/79/84/570397984.db2.gz XIZXIKNKEHSKDO-UONOGXRCSA-N 0 0 296.395 3.979 50 30 CHEARN C=C(C)CSc1nnc(-c2sccc2C)o1 ZINC000069810648 570402564 /nfs/dbraw/zinc/40/25/64/570402564.db2.gz UEEVPPDETABODD-UHFFFAOYSA-N 0 0 252.364 3.775 50 30 CHEARN C(=CN=Nc1nc2ccccc2[nH]1)Cc1ccccc1 ZINC000886000457 1125633862 /nfs/dbraw/zinc/63/38/62/1125633862.db2.gz KPJPSAJGKAYSMB-FUMQGXJOSA-N 0 0 262.316 3.674 50 30 CHEARN CN(C)c1ccc(C(=O)/C=C\c2cccs2)cc1 ZINC000103044609 1126758131 /nfs/dbraw/zinc/75/81/31/1126758131.db2.gz NADFNCVGNLDNDV-KTKRTIGZSA-N 0 0 257.358 3.710 50 30 CHEARN C1=C[C@@H]2C(N=Nc3nc4ccccc4s3)C[C@@H]2C1 ZINC000254406140 1127092182 /nfs/dbraw/zinc/09/21/82/1127092182.db2.gz BTXSZCRXTAREAT-UWVGGRQHSA-N 0 0 255.346 3.660 50 30 CHEARN COc1ccc(/C=C2\Cc3ccccc3C2=O)cc1C ZINC000011288056 1127776280 /nfs/dbraw/zinc/77/62/80/1127776280.db2.gz AOLHNTKOGKBOFX-XNTDXEJSSA-N 0 0 264.324 3.826 50 30 CHEARN COc1cc(C(=O)/C=C\c2sccc2C)ccc1O ZINC000033523071 1128541589 /nfs/dbraw/zinc/54/15/89/1128541589.db2.gz GAURCIJUZKEOGK-WAYWQWQTSA-N 0 0 274.341 3.667 50 30 CHEARN COc1cccc(/C=N\[C@@H](C)c2sc(C)nc2C)c1O ZINC000048627925 1128721220 /nfs/dbraw/zinc/72/12/20/1128721220.db2.gz SXPTXZISOCMZTL-HUUTXYLISA-N 0 0 290.388 3.654 50 30 CHEARN C#CCC[C@H](CC)OC(=O)C[C@H](C)c1ccccc1OC ZINC000079111816 1119309574 /nfs/dbraw/zinc/30/95/74/1119309574.db2.gz CESXXTCMKNIMRV-GJZGRUSLSA-N 0 0 288.387 3.924 50 30 CHEARN N#CCc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000016552528 1119986283 /nfs/dbraw/zinc/98/62/83/1119986283.db2.gz AZLIIDMHSJROQQ-UHFFFAOYSA-N 0 0 269.279 3.536 50 30 CHEARN COc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000013576752 1120157443 /nfs/dbraw/zinc/15/74/43/1120157443.db2.gz UYABVUDGGULXKZ-UHFFFAOYSA-N 0 0 283.356 3.751 50 30 CHEARN O=C(/C=C/c1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000014199975 1120331119 /nfs/dbraw/zinc/33/11/19/1120331119.db2.gz YODIKASCSRJGRK-VAWYXSNFSA-N 0 0 288.350 3.828 50 30 CHEARN N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000002663633 1120664391 /nfs/dbraw/zinc/66/43/91/1120664391.db2.gz PSAOOQZCSMJYBJ-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN C[C@@H]1CCCCC1=NNC(=S)Nc1ccccc1 ZINC000013136341 1120678277 /nfs/dbraw/zinc/67/82/77/1120678277.db2.gz MQUIDKFTZLXHED-LLVKDONJSA-N 0 0 261.394 3.539 50 30 CHEARN CSc1ccc(/C=C\C(=O)Nc2cccc(C#N)c2)cc1 ZINC000033783377 1120695728 /nfs/dbraw/zinc/69/57/28/1120695728.db2.gz RJXQBXWPOJHNSY-YFHOEESVSA-N 0 0 294.379 3.932 50 30 CHEARN N#CCCCSc1nnc(C2CCCCC2)o1 ZINC000044865822 1120735647 /nfs/dbraw/zinc/73/56/47/1120735647.db2.gz NVRKVRMNFJQDBD-UHFFFAOYSA-N 0 0 251.355 3.513 50 30 CHEARN CC(C)CCOc1ccc(C(=O)/C=C/c2ncc[nH]2)cc1 ZINC000048314811 1120808174 /nfs/dbraw/zinc/80/81/74/1120808174.db2.gz PQRMGSMBGJGUAC-BQYQJAHWSA-N 0 0 284.359 3.731 50 30 CHEARN N#CCn1c2ccc(Cl)cc2c2nc3ccccc3nc21 ZINC000000794522 1120984028 /nfs/dbraw/zinc/98/40/28/1120984028.db2.gz KKARMGJASAGWAI-UHFFFAOYSA-N 0 0 292.729 3.915 50 30 CHEARN c1ccc(NN=C2CCCc3ccccc3N2)cc1 ZINC000005999398 1121005993 /nfs/dbraw/zinc/00/59/93/1121005993.db2.gz NHUFLINXTDPPCA-UHFFFAOYSA-N 0 0 251.333 3.860 50 30 CHEARN C=C(C)C[C@H](C)C(=O)Nc1ccccc1-c1cc[nH]n1 ZINC000888099574 1121086079 /nfs/dbraw/zinc/08/60/79/1121086079.db2.gz AZPMRHGNDACQGL-LBPRGKRZSA-N 0 0 269.348 3.618 50 30 CHEARN N#CC1(CC(=O)N2Cc3ccccc3-c3ccccc32)CC1 ZINC000590161759 1121624001 /nfs/dbraw/zinc/62/40/01/1121624001.db2.gz SMMFZCBRLNEDQV-UHFFFAOYSA-N 0 0 288.350 3.894 50 30 CHEARN CCc1nc2ccccc2n1N=C/C=C\c1ccco1 ZINC000606375864 1121665654 /nfs/dbraw/zinc/66/56/54/1121665654.db2.gz GUPAVCLCIAMGBJ-ICYQQUNYSA-N 0 0 265.316 3.739 50 30 CHEARN Cc1ccc(C)c(CN=Nc2nncc3ccccc32)c1 ZINC000263626342 1121843355 /nfs/dbraw/zinc/84/33/55/1121843355.db2.gz JLCWILAJMMMTFF-UHFFFAOYSA-N 0 0 276.343 3.693 50 30 CHEARN COc1cc(/C=C2/CCc3ccccc3C2=O)ccc1O ZINC000017249870 1122290861 /nfs/dbraw/zinc/29/08/61/1122290861.db2.gz GHRBLBVVQILNGN-UVTDQMKNSA-N 0 0 280.323 3.613 50 30 CHEARN COc1ccc(F)cc1C(=O)/C=C/c1ccc(N(C)C)cc1 ZINC000025056867 1122897049 /nfs/dbraw/zinc/89/70/49/1122897049.db2.gz BOGNPVZCMSGJKQ-UXBLZVDNSA-N 0 0 299.345 3.796 50 30 CHEARN CC(=O)c1cc(C#N)c(Sc2ccccc2)nc1C ZINC000001382969 1123141182 /nfs/dbraw/zinc/14/11/82/1123141182.db2.gz WNANIVUJPCGBCS-UHFFFAOYSA-N 0 0 268.341 3.616 50 30 CHEARN N#Cc1ccnc(Oc2ccc(Br)cc2)c1 ZINC000019510184 1124086613 /nfs/dbraw/zinc/08/66/13/1124086613.db2.gz FSCLVLZGCTWOTQ-UHFFFAOYSA-N 0 0 275.105 3.508 50 30 CHEARN COc1ccc(N=CC=C2OC(C)(C)C(C)(C)O2)cc1 ZINC001505486601 1124596808 /nfs/dbraw/zinc/59/68/08/1124596808.db2.gz APKVYLGVGJFNPG-UHFFFAOYSA-N 0 0 275.348 3.843 50 30 CHEARN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)c1ccccc1 ZINC000620313875 1125227002 /nfs/dbraw/zinc/22/70/02/1125227002.db2.gz HNDULSJMFNHZNS-IXDOHACOSA-N 0 0 269.388 3.890 50 30 CHEARN CC(C)(C)OC(=O)c1ccc(C#C[Si](C)(C)C)cc1 ZINC000169989397 1125296700 /nfs/dbraw/zinc/29/67/00/1125296700.db2.gz KAYVQNMVOJPPLD-UHFFFAOYSA-N 0 0 274.436 3.871 50 30 CHEARN CCCCOC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000001770701 1125429230 /nfs/dbraw/zinc/42/92/30/1125429230.db2.gz RMPQUEKHKIZTSX-UHFFFAOYSA-N 0 0 278.377 3.847 50 30 CHEARN C=CCOc1ccc(CNc2nccs2)cc1OCC ZINC000002860961 1125432586 /nfs/dbraw/zinc/43/25/86/1125432586.db2.gz BCBQXNQAYNIRCY-UHFFFAOYSA-N 0 0 290.388 3.719 50 30 CHEARN CCc1ccc(C(=O)/C=C\c2ccc(OC)c(O)c2)s1 ZINC000096891626 1129566307 /nfs/dbraw/zinc/56/63/07/1129566307.db2.gz LVNWHOOALOKVRZ-DAXSKMNVSA-N 0 0 288.368 3.921 50 30 CHEARN CC(=O)NCc1ccc(C(=O)/C=C\c2ccc(C)cc2)s1 ZINC000096930479 1129577423 /nfs/dbraw/zinc/57/74/23/1129577423.db2.gz NOVTWWXZMGSWOF-CLFYSBASSA-N 0 0 299.395 3.589 50 30 CHEARN CSc1ccc(/C=C/c2ncccc2C#N)cc1 ZINC000253425810 1129632505 /nfs/dbraw/zinc/63/25/05/1129632505.db2.gz ITFYQZNSASCKMU-RMKNXTFCSA-N 0 0 252.342 3.846 50 30 CHEARN Cc1cc(C=NN(C)C)c(C)n1-c1ccc(C)c(C)c1 ZINC000254404141 1129693000 /nfs/dbraw/zinc/69/30/00/1129693000.db2.gz YSIISGPZSOOKQZ-UHFFFAOYSA-N 0 0 269.392 3.606 50 30 CHEARN Fc1cc(Br)ccc1N=Cc1ccncc1 ZINC000254525982 1129700350 /nfs/dbraw/zinc/70/03/50/1129700350.db2.gz JXKRJDIJUJUTRN-UHFFFAOYSA-N 0 0 279.112 3.734 50 30 CHEARN O=[N+]([O-])c1ccc(C=NNc2cccc(C(F)(F)F)c2)o1 ZINC000254531993 1129700482 /nfs/dbraw/zinc/70/04/82/1129700482.db2.gz DXRTVRQPHXUTGV-UHFFFAOYSA-N 0 0 299.208 3.653 50 30 CHEARN N#CC(=NNc1ccc(F)cc1)c1nc2ccccc2s1 ZINC000254762078 1129709126 /nfs/dbraw/zinc/70/91/26/1129709126.db2.gz FGAZMQWLYPRBPE-UHFFFAOYSA-N 0 0 296.330 3.775 50 30 CHEARN C[C@]1(C#N)CCCN(C(=O)c2cccc(-c3ccco3)c2)C1 ZINC000217893888 1131072473 /nfs/dbraw/zinc/07/24/73/1131072473.db2.gz DESVYTMWAVGIPB-GOSISDBHSA-N 0 0 294.354 3.712 50 30 CHEARN C=CCOc1cccc(NC(=O)c2csc(Cl)n2)c1 ZINC000095945746 185038415 /nfs/dbraw/zinc/03/84/15/185038415.db2.gz REKDRBDGGJVQGF-UHFFFAOYSA-N 0 0 294.763 3.614 50 30 CHEARN C=CCOc1cccc(NCc2c(CC)nn(C)c2CC)c1 ZINC000095975137 185051071 /nfs/dbraw/zinc/05/10/71/185051071.db2.gz NNSFUIWZOHCURM-UHFFFAOYSA-N 0 0 299.418 3.722 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(F)cc2F)cc1O ZINC000096765423 185111242 /nfs/dbraw/zinc/11/12/42/185111242.db2.gz RTFYSTWYQDQPBZ-KXFIGUGUSA-N 0 0 290.265 3.575 50 30 CHEARN COc1cc(/C=C\C(=O)c2ccccc2)cc(Cl)c1O ZINC000096766178 185112208 /nfs/dbraw/zinc/11/22/08/185112208.db2.gz XJXLWNVWMIVZOT-FPLPWBNLSA-N 0 0 288.730 3.950 50 30 CHEARN O=C(/C=C\c1cccc(Cl)c1)c1cccc(O)c1 ZINC000096792713 185114398 /nfs/dbraw/zinc/11/43/98/185114398.db2.gz HWENTGQOATXSPU-FPLPWBNLSA-N 0 0 258.704 3.942 50 30 CHEARN COc1ccc(/C=C2/CSc3ccccc3C2=O)cc1O ZINC000096792536 185114865 /nfs/dbraw/zinc/11/48/65/185114865.db2.gz BNBFHDMHECKFCE-WQLSENKSSA-N 0 0 298.363 3.773 50 30 CHEARN CCc1c2cc(C)ccc2oc1C(=O)/C=C\c1cnn(C)c1 ZINC000096939799 185133548 /nfs/dbraw/zinc/13/35/48/185133548.db2.gz JCBITWAAWVHMDD-SREVYHEPSA-N 0 0 294.354 3.933 50 30 CHEARN COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C)s1)CO2 ZINC000096993451 185149462 /nfs/dbraw/zinc/14/94/62/185149462.db2.gz WXTLRQRKEBEHQJ-XFFZJAGNSA-N 0 0 286.352 3.724 50 30 CHEARN N#CC1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000098071597 185682530 /nfs/dbraw/zinc/68/25/30/185682530.db2.gz KTSVMKZSGOBSDS-UHFFFAOYSA-N 0 0 269.373 3.550 50 30 CHEARN CCCCCCCCCCCC[S@@](=O)CCO ZINC000100107878 185705342 /nfs/dbraw/zinc/70/53/42/185705342.db2.gz MFWFLYVQFMEYJO-KRWDZBQOSA-N 0 0 262.459 3.648 50 30 CHEARN CC(C)(C)c1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000100164304 185707246 /nfs/dbraw/zinc/70/72/46/185707246.db2.gz NRULHNTXPPTSQZ-YBFXNURJSA-N 0 0 293.370 3.904 50 30 CHEARN Cc1ccc(NN=C(Cl)C(=O)c2ccccc2)cc1 ZINC000104498194 186008085 /nfs/dbraw/zinc/00/80/85/186008085.db2.gz UNHCZZQUWWMHBV-SDXDJHTJSA-N 0 0 272.735 3.842 50 30 CHEARN N#Cc1cc(Br)ccc1OCCC(F)(F)F ZINC000157407268 188315801 /nfs/dbraw/zinc/31/58/01/188315801.db2.gz VOXSZEIWNHNBLX-UHFFFAOYSA-N 0 0 294.070 3.652 50 30 CHEARN CCC(=O)c1ccc(OCc2ccc(C#N)cc2)cc1 ZINC000002646796 169817909 /nfs/dbraw/zinc/81/79/09/169817909.db2.gz PFCLEGQIQHHHOL-UHFFFAOYSA-N 0 0 265.312 3.730 50 30 CHEARN N#Cc1cc2c(nc1SCc1ccccc1)CCC2 ZINC000000046252 169516474 /nfs/dbraw/zinc/51/64/74/169516474.db2.gz XKCTWSPTFNMSQW-UHFFFAOYSA-N 0 0 266.369 3.734 50 30 CHEARN CCc1ccc(O)c(/N=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000000050579 169517944 /nfs/dbraw/zinc/51/79/44/169517944.db2.gz MUSJKMNJOSFSQJ-MHWRWJLKSA-N 0 0 270.288 3.613 50 30 CHEARN C[C@@H](NC(=S)NC1CCCCC1)c1ccccc1 ZINC000000129827 169546739 /nfs/dbraw/zinc/54/67/39/169546739.db2.gz HENUXILFJOCRKP-GFCCVEGCSA-N 0 0 262.422 3.956 50 30 CHEARN CC(=O)Oc1ccc(Nc2cccc(Cl)c2C#N)cc1 ZINC000000392767 169628124 /nfs/dbraw/zinc/62/81/24/169628124.db2.gz LRWZABSWHGHNOR-UHFFFAOYSA-N 0 0 286.718 3.881 50 30 CHEARN Cc1cccc(C(=O)O/N=C2/C=C(C(C)C)C(=O)C=C2C)c1 ZINC000000457807 169645900 /nfs/dbraw/zinc/64/59/00/169645900.db2.gz ICRXSQNXXFERKE-MNDPQUGUSA-N 0 0 297.354 3.619 50 30 CHEARN O=C1c2ccccc2CSC[C@@]12O[C@H]2c1cccs1 ZINC000004085359 184530878 /nfs/dbraw/zinc/53/08/78/184530878.db2.gz KPNUVJYTDMMWSA-LSDHHAIUSA-N 0 0 288.393 3.688 50 30 CHEARN O=C(O/N=C/C1=C(Cl)c2ccccc2CC1)C1CC1 ZINC000004091910 184531366 /nfs/dbraw/zinc/53/13/66/184531366.db2.gz XXOJCOVXFUCXRD-RQZCQDPDSA-N 0 0 275.735 3.522 50 30 CHEARN CSc1nc(N2CCCCC2)c2c(c1C#N)CCCC2 ZINC000019799026 134709793 /nfs/dbraw/zinc/70/97/93/134709793.db2.gz IWCQGSZKMCYXLD-UHFFFAOYSA-N 0 0 287.432 3.544 50 30 CHEARN C=CCNC(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000002994503 169848011 /nfs/dbraw/zinc/84/80/11/169848011.db2.gz IYVOSINKOLNEHE-UHFFFAOYSA-N 0 0 284.384 3.951 50 30 CHEARN Cc1cc(C)c(NC=C2C(=O)c3ccccc3C2=O)c(C)c1 ZINC000003172010 169864550 /nfs/dbraw/zinc/86/45/50/169864550.db2.gz UIOWZCDZBVKSJR-UHFFFAOYSA-N 0 0 291.350 3.987 50 30 CHEARN CC(C)(C)c1ccc(-c2nn(CCC#N)cc2C=O)cc1 ZINC000003188530 169866295 /nfs/dbraw/zinc/86/62/95/169866295.db2.gz YAMSXERTCFQDHE-UHFFFAOYSA-N 0 0 281.359 3.574 50 30 CHEARN Cc1cccc(/C=C/C(=O)c2cc3ccccc3oc2=O)c1 ZINC000003911129 169924729 /nfs/dbraw/zinc/92/47/29/169924729.db2.gz CNPWDKLNBYSMFO-MDZDMXLPSA-N 0 0 290.318 3.998 50 30 CHEARN c1cc(C23CC4CC(CC(C4)C2)C3)ccc1OC[C@H]1CO1 ZINC000003913905 169925269 /nfs/dbraw/zinc/92/52/69/169925269.db2.gz UBQNMQHSQADGKR-ZSWVUIPGSA-N 0 0 284.399 3.932 50 30 CHEARN Cc1[nH]c2ccccc2c1CN=Nc1ccccc1[N+](=O)[O-] ZINC000004177891 169941090 /nfs/dbraw/zinc/94/10/90/169941090.db2.gz XQRQJCBAJUIKDH-LICLKQGHSA-N 0 0 294.314 3.831 50 30 CHEARN N#Cc1ccsc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000004330546 169958228 /nfs/dbraw/zinc/95/82/28/169958228.db2.gz USHDGSRSUIPFJJ-UHFFFAOYSA-N 0 0 296.273 3.891 50 30 CHEARN CN(C)c1ccc(/C=C\C(=O)c2ccccc2)cc1 ZINC000004522812 169977594 /nfs/dbraw/zinc/97/75/94/169977594.db2.gz PDKPRWFMRVBCOB-RAXLEYEMSA-N 0 0 251.329 3.649 50 30 CHEARN CC(C)Oc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000004696470 170000103 /nfs/dbraw/zinc/00/01/03/170000103.db2.gz JQRNSQFSSLKKNZ-UHFFFAOYSA-N 0 0 292.334 3.936 50 30 CHEARN N#Cc1ccc(/C=C2\CCc3ccccc3C2=O)cc1 ZINC000004709477 170002904 /nfs/dbraw/zinc/00/29/04/170002904.db2.gz MENDGUCJODVXAP-LFIBNONCSA-N 0 0 259.308 3.771 50 30 CHEARN O=C(/C=C/c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000004713032 170003620 /nfs/dbraw/zinc/00/36/20/170003620.db2.gz QZLINQZBUKTXIZ-BQYQJAHWSA-N 0 0 259.286 3.552 50 30 CHEARN c1csc(-c2csc(N=NCc3ccccc3)n2)c1 ZINC000004766716 170014240 /nfs/dbraw/zinc/01/42/40/170014240.db2.gz RMDMPFHWTDUDCW-OQLLNIDSSA-N 0 0 285.397 3.740 50 30 CHEARN COc1cccc(C)c1NC(=O)ON=C1CCCCC1 ZINC000004776486 170015730 /nfs/dbraw/zinc/01/57/30/170015730.db2.gz CCAHLUQONALJNJ-UHFFFAOYSA-N 0 0 276.336 3.872 50 30 CHEARN Cc1cc(C)c(C(=O)C=Cc2cccc(Cl)c2)c(=O)[nH]1 ZINC000004786159 170017243 /nfs/dbraw/zinc/01/72/43/170017243.db2.gz SNNYNPRTXHQIIF-VOTSOKGWSA-N 0 0 287.746 3.541 50 30 CHEARN CCOc1cc(C#N)ccc1OCc1cccc(C)c1 ZINC000004825735 170024330 /nfs/dbraw/zinc/02/43/30/170024330.db2.gz XCBICSBTVAAVTD-UHFFFAOYSA-N 0 0 267.328 3.844 50 30 CHEARN CCOc1cc(C#N)ccc1OCc1cccc(F)c1 ZINC000004825632 170024640 /nfs/dbraw/zinc/02/46/40/170024640.db2.gz GMHVCQNBQWIOEJ-UHFFFAOYSA-N 0 0 271.291 3.675 50 30 CHEARN CCN(CC)c1ccc(NC(=O)c2ccc(C#N)cc2)cc1 ZINC000004896728 170037464 /nfs/dbraw/zinc/03/74/64/170037464.db2.gz RFNXWEIYDDRXTJ-UHFFFAOYSA-N 0 0 293.370 3.657 50 30 CHEARN CCOc1ccc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000004905430 170038907 /nfs/dbraw/zinc/03/89/07/170038907.db2.gz HONBKKLZEYEWBP-UHFFFAOYSA-N 0 0 283.287 3.609 50 30 CHEARN O=C(/C=C/c1ccccc1O)c1ccc(Cl)cc1 ZINC000004918531 170041226 /nfs/dbraw/zinc/04/12/26/170041226.db2.gz ZLMXAJNIWFZZSH-JXMROGBWSA-N 0 0 258.704 3.942 50 30 CHEARN C[C@H]1CCc2sc(-c3nnc(SCC#N)o3)cc2C1 ZINC000004937693 170042613 /nfs/dbraw/zinc/04/26/13/170042613.db2.gz IETFQRWBQYMGHW-QMMMGPOBSA-N 0 0 291.401 3.539 50 30 CHEARN CN(C)c1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005012004 170055418 /nfs/dbraw/zinc/05/54/18/170055418.db2.gz GUTSWDYMYNLJEK-XGICHPGQSA-N 0 0 296.326 3.557 50 30 CHEARN COc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1 ZINC000005073216 170064183 /nfs/dbraw/zinc/06/41/83/170064183.db2.gz ISKRMQFOKPOZFL-BJMVGYQFSA-N 0 0 256.276 3.730 50 30 CHEARN Cc1sc(NC(=O)c2cccc(F)c2)c(C#N)c1C ZINC000005144830 170070493 /nfs/dbraw/zinc/07/04/93/170070493.db2.gz QEQRBMUQUKQJMZ-UHFFFAOYSA-N 0 0 274.320 3.628 50 30 CHEARN CC(=[NH+][N-]c1cccc2cccnc21)c1ccc(N)cc1 ZINC000005223111 170077576 /nfs/dbraw/zinc/07/75/76/170077576.db2.gz HSYPSUYBPAOGKB-UDWIEESQSA-N 0 0 276.343 3.653 50 30 CHEARN C/C(=N\O)c1cnc(-c2ccc(Cl)cc2)s1 ZINC000005282638 170082515 /nfs/dbraw/zinc/08/25/15/170082515.db2.gz YAEWZLMMWLHCTA-VGOFMYFVSA-N 0 0 252.726 3.662 50 30 CHEARN Cc1ccc2nc(NC(=O)c3cccc(C#N)c3)sc2c1 ZINC000005443076 170099365 /nfs/dbraw/zinc/09/93/65/170099365.db2.gz QKFIAYASZHZJFU-UHFFFAOYSA-N 0 0 293.351 3.729 50 30 CHEARN CCc1nc2c3ccccc3oc2c(SCC#N)n1 ZINC000005561668 170114127 /nfs/dbraw/zinc/11/41/27/170114127.db2.gz GPFDPWMOGBGYEH-UHFFFAOYSA-N 0 0 269.329 3.554 50 30 CHEARN CC[C@H](C)Nc1nc(SC)nc(-c2ccccc2)c1C#N ZINC000005607387 170119466 /nfs/dbraw/zinc/11/94/66/170119466.db2.gz JEEDFXUNASIJPM-NSHDSACASA-N 0 0 298.415 3.948 50 30 CHEARN Nc1nc(-c2ccccc2)cn1/N=C/c1ccc(Cl)cc1 ZINC000005646867 170123761 /nfs/dbraw/zinc/12/37/61/170123761.db2.gz QCILAKLWCDCMEG-VXLYETTFSA-N 0 0 296.761 3.668 50 30 in-vitro CHEARN N#Cc1ccsc1NC(=O)Nc1ccc(Cl)cc1 ZINC000005674589 170126847 /nfs/dbraw/zinc/12/68/47/170126847.db2.gz ZOHRJJWWERYAAB-UHFFFAOYSA-N 0 0 277.736 3.917 50 30 CHEARN C=CCn1c(COc2ccc(CCC)cc2)n[nH]c1=S ZINC000005686289 170128981 /nfs/dbraw/zinc/12/89/81/170128981.db2.gz KIXQISWCAIRJEZ-UHFFFAOYSA-N 0 0 289.404 3.658 50 30 CHEARN N#Cc1cccc(COC(=O)c2ccccc2Cl)c1 ZINC000005692152 170129913 /nfs/dbraw/zinc/12/99/13/170129913.db2.gz CPYKAYOFCRUJGY-UHFFFAOYSA-N 0 0 271.703 3.569 50 30 CHEARN Cc1nc(C)c(C(=O)/C=C/c2ccc(Cl)cc2)o1 ZINC000005724570 170133639 /nfs/dbraw/zinc/13/36/39/170133639.db2.gz ZZARPQOVHAJVCF-VMPITWQZSA-N 0 0 261.708 3.841 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2coc3ccccc3c2=O)cc1 ZINC000005788752 170140341 /nfs/dbraw/zinc/14/03/41/170140341.db2.gz JVOHKUCPCRMTCZ-ZHACJKMWSA-N 0 0 290.318 3.998 50 30 CHEARN Cc1ccc2c(CC(=O)Oc3ccc(C#N)cc3)coc2c1 ZINC000006211873 170182881 /nfs/dbraw/zinc/18/28/81/170182881.db2.gz CARXJGDAAGQFBU-UHFFFAOYSA-N 0 0 291.306 3.761 50 30 CHEARN CCCOc1ccc(OC(=O)c2ccc(C#N)cc2)cc1 ZINC000006235498 170184280 /nfs/dbraw/zinc/18/42/80/170184280.db2.gz ZFJJJSAOIOZGNF-UHFFFAOYSA-N 0 0 281.311 3.566 50 30 CHEARN C=CCNC(=O)c1sc2cc(C)ccc2c1Cl ZINC000006279363 170188317 /nfs/dbraw/zinc/18/83/17/170188317.db2.gz NITBSOYFDKURNT-UHFFFAOYSA-N 0 0 265.765 3.779 50 30 CHEARN CC(C)(C)C(=O)C(Cc1ccc(C#N)cc1)C(=O)C(C)(C)C ZINC000006313362 170190171 /nfs/dbraw/zinc/19/01/71/170190171.db2.gz GNJBLXJXEVSLLO-UHFFFAOYSA-N 0 0 299.414 3.947 50 30 CHEARN CCOc1ccc(/C=C/C(=O)c2cnn(CC)c2C)cc1 ZINC000006490052 170206167 /nfs/dbraw/zinc/20/61/67/170206167.db2.gz MGYGOPCEQLCUJC-DHZHZOJOSA-N 0 0 284.359 3.506 50 30 CHEARN C=CCN(C(=O)CCC(C)C)c1nc2c(s1)CCCC2 ZINC000006587976 170216807 /nfs/dbraw/zinc/21/68/07/170216807.db2.gz FQLLJFYFTOARHO-UHFFFAOYSA-N 0 0 292.448 3.977 50 30 CHEARN COc1cc(C#N)cc(Br)c1OCC=C(C)C ZINC000006701864 170229926 /nfs/dbraw/zinc/22/99/26/170229926.db2.gz KUBHXKLQNGGRIC-UHFFFAOYSA-N 0 0 296.164 3.674 50 30 CHEARN CC(C)c1ccc(/N=C2/c3ccccc3NC2=O)cc1 ZINC000006707900 170230931 /nfs/dbraw/zinc/23/09/31/170230931.db2.gz SJPVYBSKIVTTDD-UHFFFAOYSA-N 0 0 264.328 3.883 50 30 CHEARN C=C(C)COc1cccc(C(=O)NC2CCCCC2)c1 ZINC000006746828 170239551 /nfs/dbraw/zinc/23/95/51/170239551.db2.gz GFRVPJDEYQVDHX-UHFFFAOYSA-N 0 0 273.376 3.704 50 30 CHEARN Fc1ccc(/C=N/c2ccc(F)c(F)c2F)cc1 ZINC000006828975 170247472 /nfs/dbraw/zinc/24/74/72/170247472.db2.gz FIPWHJBRYVUYIT-CNHKJKLMSA-N 0 0 253.198 3.994 50 30 CHEARN COc1cccc(/C=C/C(=O)c2ccc(OC)cc2F)c1 ZINC000006897889 170253887 /nfs/dbraw/zinc/25/38/87/170253887.db2.gz AJYOQNUXIAZRIF-RMKNXTFCSA-N 0 0 286.302 3.739 50 30 CHEARN N#Cc1ccccc1COC(=O)c1cc2c(s1)CCCC2 ZINC000007005880 170262076 /nfs/dbraw/zinc/26/20/76/170262076.db2.gz GIFPOASIJQBEKT-UHFFFAOYSA-N 0 0 297.379 3.856 50 30 CHEARN O=C(/C=C/c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000007350067 170278927 /nfs/dbraw/zinc/27/89/27/170278927.db2.gz MAKCUKCXZORFHH-VAWYXSNFSA-N 0 0 291.350 3.710 50 30 CHEARN COc1ccc(OC)c(C(=O)/C=C/c2ccc(C)cc2)c1 ZINC000007744821 170300212 /nfs/dbraw/zinc/30/02/12/170300212.db2.gz HIWXCZOHIRFAKY-CSKARUKUSA-N 0 0 282.339 3.908 50 30 CHEARN O=C1c2ccccc2OC/C1=C\c1ccc(F)c(F)c1 ZINC000007747122 170300596 /nfs/dbraw/zinc/30/05/96/170300596.db2.gz RRGAEVVQUWDQIN-YRNVUSSQSA-N 0 0 272.250 3.624 50 30 CHEARN C#CC(CC)(CC)NC(=O)/C=C/c1nc2ccccc2s1 ZINC000007780340 170302058 /nfs/dbraw/zinc/30/20/58/170302058.db2.gz JSOOKUHZWLCXRH-VAWYXSNFSA-N 0 0 298.411 3.618 50 30 CHEARN N#Cc1ccccc1OCc1cc(-c2ccccc2)on1 ZINC000007785129 170302487 /nfs/dbraw/zinc/30/24/87/170302487.db2.gz IWLSOCBWMVZZPX-UHFFFAOYSA-N 0 0 276.295 3.792 50 30 CHEARN N#Cc1ccc(OCc2ncc(-c3ccccc3)o2)cc1 ZINC000007890300 170306460 /nfs/dbraw/zinc/30/64/60/170306460.db2.gz GCZHNQQCHXBRSK-UHFFFAOYSA-N 0 0 276.295 3.792 50 30 CHEARN CCOc1cc(C#N)ccc1Oc1ncnc2sccc21 ZINC000007980214 170311287 /nfs/dbraw/zinc/31/12/87/170311287.db2.gz ZJBYXYLYBUJLCQ-UHFFFAOYSA-N 0 0 297.339 3.754 50 30 CHEARN N#Cc1cccc(CSc2ncnc3ccccc32)c1 ZINC000008188875 170323386 /nfs/dbraw/zinc/32/33/86/170323386.db2.gz YOYGAZVUJLVIRD-UHFFFAOYSA-N 0 0 277.352 3.794 50 30 CHEARN CCOc1ccc(C=[NH+][N-]c2nc3ccccc3o2)cc1 ZINC000008323937 170330872 /nfs/dbraw/zinc/33/08/72/170330872.db2.gz AHWZHRXNYGWLKG-GZTJUZNOSA-N 0 0 281.315 3.673 50 30 CHEARN CCOc1ccc(C(=O)/C=C/c2cccc(O)c2)cc1 ZINC000008321622 170330966 /nfs/dbraw/zinc/33/09/66/170330966.db2.gz VOFODISALASXES-IZZDOVSWSA-N 0 0 268.312 3.687 50 30 CHEARN Cc1nc2sccn2c1C(=O)/C=C/c1cccs1 ZINC000008746295 170354087 /nfs/dbraw/zinc/35/40/87/170354087.db2.gz YAJASASCCSNOEI-SNAWJCMRSA-N 0 0 274.370 3.662 50 30 CHEARN C=CCOc1cccc(NC(=O)C2CCCCC2)c1 ZINC000008904938 170357998 /nfs/dbraw/zinc/35/79/98/170357998.db2.gz QCNVLDNEMKEPEK-UHFFFAOYSA-N 0 0 259.349 3.770 50 30 CHEARN C=C(C)COc1ccccc1NC(=O)c1cccs1 ZINC000009822427 170386437 /nfs/dbraw/zinc/38/64/37/170386437.db2.gz QPTNZCXSXWPBFD-UHFFFAOYSA-N 0 0 273.357 3.955 50 30 CHEARN N#C[C@@]1(c2nc3ccccc3[nH]2)C[C@@H]1c1ccc(F)cc1 ZINC000009913647 170390773 /nfs/dbraw/zinc/39/07/73/170390773.db2.gz WUYPQYUYTSTNLP-DYVFJYSZSA-N 0 0 277.302 3.651 50 30 CHEARN C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)C1CC1 ZINC000010031391 170396341 /nfs/dbraw/zinc/39/63/41/170396341.db2.gz LROAIEJNVFCLMF-CYBMUJFWSA-N 0 0 290.366 3.754 50 30 CHEARN C#Cc1cccc(NC(=O)c2cc(Cl)ccc2F)c1 ZINC000012922806 170520527 /nfs/dbraw/zinc/52/05/27/170520527.db2.gz BYIRWIYQPQHWQG-UHFFFAOYSA-N 0 0 273.694 3.713 50 30 CHEARN N#Cc1ccccc1CN(Cc1ccco1)Cc1ccco1 ZINC000012992648 170526506 /nfs/dbraw/zinc/52/65/06/170526506.db2.gz IPKVHPKWVHBRMX-UHFFFAOYSA-N 0 0 292.338 3.947 50 30 CHEARN O=C(/C=C/c1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000013004118 170527373 /nfs/dbraw/zinc/52/73/73/170527373.db2.gz UUVWSMQIWNYWHD-VAWYXSNFSA-N 0 0 274.323 3.768 50 30 CHEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccco3)S2)c(C)c1 ZINC000016770006 170711917 /nfs/dbraw/zinc/71/19/17/170711917.db2.gz WCQTVCYPBXBTMQ-ZROIWOOFSA-N 0 0 298.367 3.788 50 30 CHEARN CCN(CC)c1ccc(-c2c(C)c(C)nc(N)c2C#N)cc1 ZINC000019874910 170904673 /nfs/dbraw/zinc/90/46/73/170904673.db2.gz GRCJGNYCKUENNK-UHFFFAOYSA-N 0 0 294.402 3.666 50 30 CHEARN N#C[C@@H](c1ccco1)N1CCC(Cc2ccccc2)CC1 ZINC000028291228 171555543 /nfs/dbraw/zinc/55/55/43/171555543.db2.gz BOMGDCNDFLSKIL-KRWDZBQOSA-N 0 0 280.371 3.799 50 30 CHEARN COc1ccc(OC)c(C(=O)/C=C\c2ccc(F)cc2)c1 ZINC000033472237 171804889 /nfs/dbraw/zinc/80/48/89/171804889.db2.gz SECIINCKZHWTSO-UITAMQMPSA-N 0 0 286.302 3.739 50 30 CHEARN CC(=O)C=C(C)Nc1cc2c(cc(C)n2C)cc1C ZINC000035325069 172126801 /nfs/dbraw/zinc/12/68/01/172126801.db2.gz STMMVNAALVDXFA-XFFZJAGNSA-N 0 0 256.349 3.700 50 30 CHEARN N#Cc1cccc(OCc2coc(-c3cccs3)n2)c1 ZINC000036646596 172644640 /nfs/dbraw/zinc/64/46/40/172644640.db2.gz OSJRTENJKJIFPS-UHFFFAOYSA-N 0 0 282.324 3.854 50 30 CHEARN N#Cc1c(N)[nH]cc1-c1ccc(Oc2ccccc2)cc1 ZINC000038490554 174143137 /nfs/dbraw/zinc/14/31/37/174143137.db2.gz BMCRLJVEFBZFJC-UHFFFAOYSA-N 0 0 275.311 3.928 50 30 CHEARN CCOc1cc(CC#N)cc(Cl)c1OCC(F)(F)F ZINC000040139198 174193799 /nfs/dbraw/zinc/19/37/99/174193799.db2.gz NJSBCMSPCDVZAV-UHFFFAOYSA-N 0 0 293.672 3.746 50 30 CHEARN O=C1C=C(Nc2ccc(Br)cc2F)CCC1 ZINC000040488492 174290137 /nfs/dbraw/zinc/29/01/37/174290137.db2.gz CBRHBBGDXLBNCE-UHFFFAOYSA-N 0 0 284.128 3.637 50 30 CHEARN CCOc1cccc(/C=N/Cc2cc(F)cc(F)c2)c1O ZINC000044836090 175262811 /nfs/dbraw/zinc/26/28/11/175262811.db2.gz WVUQQMWJOFRNFS-VXLYETTFSA-N 0 0 291.297 3.688 50 30 CHEARN Cc1ccc(-n2cc(C#N)c3c2nc(C)cc3C)cc1 ZINC000072334153 176370934 /nfs/dbraw/zinc/37/09/34/176370934.db2.gz HMNVMFYFPPJLDO-UHFFFAOYSA-N 0 0 261.328 3.822 50 30 CHEARN N#Cc1cccc(/C=C/c2ccc(N)cc2Cl)c1 ZINC000075272798 176680495 /nfs/dbraw/zinc/68/04/95/176680495.db2.gz FNVDFANNTFBONN-SNAWJCMRSA-N 0 0 254.720 3.964 50 30 CHEARN N#Cc1cccc(/C=C2\CSc3ccccc3C2=O)c1 ZINC000014178936 260078774 /nfs/dbraw/zinc/07/87/74/260078774.db2.gz DGYRZRPYDLLPEQ-NTEUORMPSA-N 0 0 277.348 3.930 50 30 CHEARN Clc1ccc(NC2=NCCCS2)cc1Cl ZINC000003885643 260013602 /nfs/dbraw/zinc/01/36/02/260013602.db2.gz CXSKSYHKTWRGRM-UHFFFAOYSA-N 0 0 261.177 3.707 50 30 CHEARN O=C(/C=C/c1cnn(Cc2ccccc2)c1)c1cccs1 ZINC000014242711 260079571 /nfs/dbraw/zinc/07/95/71/260079571.db2.gz ARSQUNBCACTPEW-CMDGGOBGSA-N 0 0 294.379 3.889 50 30 CHEARN Cc1ccc(Cl)cc1/N=C1\C(=O)Nc2ccccc21 ZINC000015134544 260085784 /nfs/dbraw/zinc/08/57/84/260085784.db2.gz KFNZBIDWISKLQM-UHFFFAOYSA-N 0 0 270.719 3.721 50 30 CHEARN O=C(/C=C/c1ccnn1C1CCCC1)c1cccc(O)c1 ZINC000071785158 327105262 /nfs/dbraw/zinc/10/52/62/327105262.db2.gz NZCQSTBAZCPLJQ-CMDGGOBGSA-N 0 0 282.343 3.600 50 30 CHEARN CC(C)(C#N)CC[S@@](=O)Cc1cccc(Cl)c1 ZINC000123440501 329527856 /nfs/dbraw/zinc/52/78/56/329527856.db2.gz XIPWDICOPZKXFB-KRWDZBQOSA-N 0 0 269.797 3.529 50 30 CHEARN N#Cc1ccc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000160641031 330870752 /nfs/dbraw/zinc/87/07/52/330870752.db2.gz VAUJMASMFMVLML-QZTJIDSGSA-N 0 0 278.355 3.890 50 30 CHEARN C=CCOc1cccc(CN(CC)C(=O)c2ccoc2)c1 ZINC000055182546 519053913 /nfs/dbraw/zinc/05/39/13/519053913.db2.gz ISAIXYJFKRHWLZ-UHFFFAOYSA-N 0 0 285.343 3.507 50 30 CHEARN Cc1nc(CSc2nc3c(cc2C#N)CCCC3)oc1C ZINC000098129628 534405426 /nfs/dbraw/zinc/40/54/26/534405426.db2.gz OSHQCGLPKXDQGG-UHFFFAOYSA-N 0 0 299.399 3.729 50 30 CHEARN CCCCCCCCNS(=O)(=O)c1ccc(C)cc1 ZINC000003159202 520037816 /nfs/dbraw/zinc/03/78/16/520037816.db2.gz ZOKHEWHJVBLKRN-UHFFFAOYSA-N 0 0 283.437 3.634 50 30 CHEARN CCCCCCCSc1nnc2nc(C)cc(C)n21 ZINC000002191003 520065963 /nfs/dbraw/zinc/06/59/63/520065963.db2.gz VKVCPKQCCMNFBG-UHFFFAOYSA-N 0 0 278.425 3.804 50 30 CHEARN COc1cccc(C(=O)N(CCC#N)c2ccc(C)cc2)c1 ZINC000058251068 525789692 /nfs/dbraw/zinc/78/96/92/525789692.db2.gz QVCTXXZAFFBIBT-UHFFFAOYSA-N 0 0 294.354 3.564 50 30 CHEARN COc1cccc(C(=O)[C@H](CC#N)c2ccccc2)c1 ZINC000055026207 525839999 /nfs/dbraw/zinc/83/99/99/525839999.db2.gz HMXMGBYVCZQHCC-MRXNPFEDSA-N 0 0 265.312 3.575 50 30 CHEARN CC(=O)Nc1ccc(NCc2cccc(C#N)c2)c(Cl)c1 ZINC000096453525 527014457 /nfs/dbraw/zinc/01/44/57/527014457.db2.gz LJSBVQGFZXXTGM-UHFFFAOYSA-N 0 0 299.761 3.782 50 30 CHEARN CCCCCCCCC(=O)NCCOc1ccccc1 ZINC000008691169 528121794 /nfs/dbraw/zinc/12/17/94/528121794.db2.gz NVIKMTLUFJKIIR-UHFFFAOYSA-N 0 0 277.408 3.932 50 30 CHEARN C=CCN(CC=C)C(=S)Nc1cc(Cl)ccc1OC ZINC000013496754 570340355 /nfs/dbraw/zinc/34/03/55/570340355.db2.gz RTUUZFYOJVLSHK-UHFFFAOYSA-N 0 0 296.823 3.719 50 30 CHEARN N#Cc1c(=S)[nH]c2c(c1-c1ccncc1)CCCC2 ZINC000000992652 566835572 /nfs/dbraw/zinc/83/55/72/566835572.db2.gz RDDCJKWXCSJOSQ-UHFFFAOYSA-N 0 0 267.357 3.557 50 30 CHEARN C=CCOc1ccccc1CN(CC)Cc1nccs1 ZINC000055154599 566869299 /nfs/dbraw/zinc/86/92/99/566869299.db2.gz FDHQCAXIUJOVHB-UHFFFAOYSA-N 0 0 288.416 3.730 50 30 CHEARN O=C(O/N=C1\CCCc2c3ccccc3[nH]c21)c1ccco1 ZINC000001402249 566871588 /nfs/dbraw/zinc/87/15/88/566871588.db2.gz PWXIMPXOMKIZHQ-XMHGGMMESA-N 0 0 294.310 3.658 50 30 CHEARN Cc1c(C#N)c2nc3ccccc3n2c(O)c1CCC(C)C ZINC000001467938 566892987 /nfs/dbraw/zinc/89/29/87/566892987.db2.gz CLWIPJGYUUWKSI-UHFFFAOYSA-N 0 0 293.370 3.962 50 30 CHEARN C=CCN1C(=O)/C(=C/c2cc(C)ccc2C)SC1=S ZINC000013137404 566895310 /nfs/dbraw/zinc/89/53/10/566895310.db2.gz UIJXUITYOGVXEW-LCYFTJDESA-N 0 0 289.425 3.691 50 30 CHEARN C#CC(C)(C)NC(=O)c1ccc(-c2ccccc2F)cc1 ZINC000000111288 566896329 /nfs/dbraw/zinc/89/63/29/566896329.db2.gz KYEMOYLSRWFQBI-UHFFFAOYSA-N 0 0 281.330 3.634 50 30 CHEARN C=CCSc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000002262170 566902868 /nfs/dbraw/zinc/90/28/68/566902868.db2.gz BENXZFJLZSNAIO-UHFFFAOYSA-N 0 0 294.379 3.664 50 30 CHEARN Cc1ccc2c(c1)c1c3n2CCN(CCC#N)[C@@H]3CCC1 ZINC000019316055 566904543 /nfs/dbraw/zinc/90/45/43/566904543.db2.gz HWJBOELNKXRKJA-QGZVFWFLSA-N 0 0 279.387 3.556 50 30 biogenic,in-vitro CHEARN Cc1nc2ccccc2nc1Oc1ccccc1C#N ZINC000012861441 566908287 /nfs/dbraw/zinc/90/82/87/566908287.db2.gz TWZZAIHCHVOQSW-UHFFFAOYSA-N 0 0 261.284 3.602 50 30 CHEARN CC1=Cc2ccccc2[C@H](C)[C@](C)(Br)C1=O ZINC000004530515 566909679 /nfs/dbraw/zinc/90/96/79/566909679.db2.gz SDADZVVKHSOCLV-HZMBPMFUSA-N 0 0 279.177 3.930 50 30 CHEARN Clc1cccc(/N=C/c2ccc3c(c2)OCO3)c1 ZINC000002164435 566912323 /nfs/dbraw/zinc/91/23/23/566912323.db2.gz DXEKZNILUSRNIY-LZYBPNLTSA-N 0 0 259.692 3.819 50 30 CHEARN CC1(C)[C@@H]2C[C@@]3(C)O[C@]34[C@@H]3CCCC[C@]3(O)CC[C@H]4[C@@H]21 ZINC000071786677 566917683 /nfs/dbraw/zinc/91/76/83/566917683.db2.gz RWYIHXWKDUOAFJ-NDCJCOBASA-N 0 0 276.420 3.521 50 30 CHEARN Cc1ncc(NC(=O)[C@H](C)Oc2ccccc2)s1 ZINC000330031822 566960771 /nfs/dbraw/zinc/96/07/71/566960771.db2.gz DTLKWLAVINJUEB-VIFPVBQESA-N 0 0 262.334 3.507 50 30 CHEARN COc1cccc2cc([C@@H](C)Nc3ccc(C#N)cn3)oc21 ZINC000026713244 566964043 /nfs/dbraw/zinc/96/40/43/566964043.db2.gz QZXQVYCZJSTMNH-LLVKDONJSA-N 0 0 293.326 3.881 50 30 CHEARN N#Cc1cnc2ccccc2c1Nc1cccc(F)c1 ZINC000036913206 567007598 /nfs/dbraw/zinc/00/75/98/567007598.db2.gz VPNAUHMQKVPBKD-UHFFFAOYSA-N 0 0 263.275 3.989 50 30 CHEARN CCN(C[C@H](C)C#N)C(=O)c1ccccc1SC(C)C ZINC000065625838 567011813 /nfs/dbraw/zinc/01/18/13/567011813.db2.gz JJFKRLQZHVFUHC-CYBMUJFWSA-N 0 0 290.432 3.809 50 30 CHEARN CCc1ccc(CN=Nc2cccc(Cl)n2)cc1 ZINC000004550768 567019712 /nfs/dbraw/zinc/01/97/12/567019712.db2.gz FBPIPZXLOYZLSZ-MHWRWJLKSA-N 0 0 259.740 3.743 50 30 CHEARN N#Cc1cccc(C(=O)Nc2cccnc2-c2ccccc2)c1 ZINC000152808565 567028453 /nfs/dbraw/zinc/02/84/53/567028453.db2.gz OEUMQUNPRCGNOS-UHFFFAOYSA-N 0 0 299.333 3.873 50 30 CHEARN C=CCc1ccccc1OCCOc1ccccc1C=O ZINC000002875488 567037407 /nfs/dbraw/zinc/03/74/07/567037407.db2.gz RFISNDDSTRJURN-UHFFFAOYSA-N 0 0 282.339 3.685 50 30 CHEARN Cc1ccc2ncnc(N[C@H](C)c3ccc(C#N)cc3)c2c1 ZINC000170638279 567042392 /nfs/dbraw/zinc/04/23/92/567042392.db2.gz MLVXKZXBFPYZAJ-CYBMUJFWSA-N 0 0 288.354 3.983 50 30 CHEARN C/C(=N\N=C(/C)c1ccc(C)cc1O)c1ccc(C)cc1O ZINC000100930288 567045178 /nfs/dbraw/zinc/04/51/78/567045178.db2.gz OSXHKTJNIGJSKW-IWGRKNQJSA-N 0 0 296.370 3.948 50 30 CHEARN Cc1ccc(C=Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000252461271 567051981 /nfs/dbraw/zinc/05/19/81/567051981.db2.gz LSNCGKYQMXSBJE-UHFFFAOYSA-N 0 0 254.289 3.962 50 30 CHEARN C=CCCC(=O)N1CCS[C@H](c2ccccc2)CC1 ZINC000208039713 567061180 /nfs/dbraw/zinc/06/11/80/567061180.db2.gz GZBXWUITUAPOGT-HNNXBMFYSA-N 0 0 275.417 3.659 50 30 CHEARN Cc1cccc(NN=C(C#N)C(=O)c2ccc(Cl)cc2)c1 ZINC000252610546 567065395 /nfs/dbraw/zinc/06/53/95/567065395.db2.gz ICJOGTPGIBFGSS-UHFFFAOYSA-N 0 0 297.745 3.823 50 30 CHEARN N#Cc1ccccc1CN1CCCC[C@H]1c1nccs1 ZINC000195364681 567068303 /nfs/dbraw/zinc/06/83/03/567068303.db2.gz FBPXLYCRASJMIJ-HNNXBMFYSA-N 0 0 283.400 3.742 50 30 CHEARN Cc1ccc(C(=O)C(C#N)=NNc2ccc(Cl)cc2)cc1 ZINC000252629702 567069967 /nfs/dbraw/zinc/06/99/67/567069967.db2.gz ULSSBQDBGBKEKK-UHFFFAOYSA-N 0 0 297.745 3.823 50 30 CHEARN c1ccc2c(c1)CN(c1cccnc1)C2=Nc1cccnc1 ZINC000252639845 567072347 /nfs/dbraw/zinc/07/23/47/567072347.db2.gz YODGAJHEKIORAJ-UHFFFAOYSA-N 0 0 286.338 3.575 50 30 CHEARN N#Cc1ccc(-c2ccc(OCCn3ccnc3)cc2)cc1 ZINC000090368674 567090376 /nfs/dbraw/zinc/09/03/76/567090376.db2.gz IDBUHWRRLAVKED-UHFFFAOYSA-N 0 0 289.338 3.501 50 30 CHEARN CCCCNc1nc(CC)c2c(c1C#N)CCCC2 ZINC000019708325 567122652 /nfs/dbraw/zinc/12/26/52/567122652.db2.gz AFUUGKRJZCNTAF-UHFFFAOYSA-N 0 0 257.381 3.606 50 30 CHEARN CC(C)c1nc(N2CCCCC2)c(C#N)c2c1CCCC2 ZINC000019851412 567123590 /nfs/dbraw/zinc/12/35/90/567123590.db2.gz AYXIQOCXFAHGDW-UHFFFAOYSA-N 0 0 283.419 3.946 50 30 CHEARN Cc1cncc(NCc2cccc(OCCCC#N)c2)c1 ZINC000095430912 567134621 /nfs/dbraw/zinc/13/46/21/567134621.db2.gz QNGCXJMNPORKDA-UHFFFAOYSA-N 0 0 281.359 3.685 50 30 CHEARN CCOc1cccc(/C=C\C(=O)c2ccccc2)c1 ZINC000096297722 567141174 /nfs/dbraw/zinc/14/11/74/567141174.db2.gz LZBNFKMJNPRXGU-QXMHVHEDSA-N 0 0 252.313 3.981 50 30 CHEARN Cc1noc(C)c1CSc1ncc(C#N)cc1Cl ZINC000096406231 567143192 /nfs/dbraw/zinc/14/31/92/567143192.db2.gz AAEMIJQLHAMYQE-UHFFFAOYSA-N 0 0 279.752 3.504 50 30 CHEARN CC(C)c1ccc(NCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000030282916 567161921 /nfs/dbraw/zinc/16/19/21/567161921.db2.gz DOKYPUGKFURYAN-UHFFFAOYSA-N 0 0 293.370 3.732 50 30 CHEARN N#Cc1cn(Cc2cccc(Cl)c2)c2ccccc2c1=O ZINC000057740353 567163710 /nfs/dbraw/zinc/16/37/10/567163710.db2.gz FGIKNPBWGWUOOJ-UHFFFAOYSA-N 0 0 294.741 3.575 50 30 CHEARN CC(C)Oc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 ZINC000003395100 567172666 /nfs/dbraw/zinc/17/26/66/567172666.db2.gz RLGLICXKWHRDPX-UHFFFAOYSA-N 0 0 280.327 3.598 50 30 CHEARN N#Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000003566757 567178676 /nfs/dbraw/zinc/17/86/76/567178676.db2.gz TYNDOZZGRLJSBF-UHFFFAOYSA-N 0 0 290.244 3.829 50 30 CHEARN N#Cc1cccc(NC(=O)N(Cc2cccs2)C2CC2)c1 ZINC000058367107 567179143 /nfs/dbraw/zinc/17/91/43/567179143.db2.gz BBINGGDIQXIRKS-UHFFFAOYSA-N 0 0 297.383 3.816 50 30 CHEARN O=C(/C=C/c1cccc(F)c1)c1cc2ccccc2oc1=O ZINC000003911092 567182129 /nfs/dbraw/zinc/18/21/29/567182129.db2.gz ZXNKHMJNCQRIHC-CMDGGOBGSA-N 0 0 294.281 3.828 50 30 CHEARN CC(=O)/C=C/c1c(-c2ccc(F)cc2)nc2sccn12 ZINC000004002636 567182539 /nfs/dbraw/zinc/18/25/39/567182539.db2.gz KRNIHOFQMIPOPX-FARCUNLSSA-N 0 0 286.331 3.804 50 30 CHEARN CCN=C(Nc1ccc(Cl)cc1)c1cccnc1 ZINC000004051864 567184694 /nfs/dbraw/zinc/18/46/94/567184694.db2.gz CKXPFLFSWWFUER-UHFFFAOYSA-N 0 0 259.740 3.614 50 30 CHEARN CC1(C)CC(=O)C=C(Nc2ccc(Br)cn2)C1 ZINC000004058076 567185275 /nfs/dbraw/zinc/18/52/75/567185275.db2.gz PIUGYHYJINDITQ-UHFFFAOYSA-N 0 0 295.180 3.529 50 30 CHEARN Cc1cccc(/C=N/c2sc3c(c2C#N)CCC3)c1O ZINC000004150732 567189271 /nfs/dbraw/zinc/18/92/71/567189271.db2.gz LAVUQECNIKJUTL-GIJQJNRQSA-N 0 0 282.368 3.873 50 30 CHEARN O=C1C=CC(=NNc2ccc3ccccc3c2)c2cccnc21 ZINC000004174270 567189688 /nfs/dbraw/zinc/18/96/88/567189688.db2.gz ZYXCOUHVQCMJNH-OQKWZONESA-N 0 0 299.333 3.804 50 30 CHEARN CC[C@@](C)(C#N)NC(=O)c1ccc(-c2ccsc2)nc1C ZINC000066645228 567195403 /nfs/dbraw/zinc/19/54/03/567195403.db2.gz SRPVFUNBXCCJAQ-INIZCTEOSA-N 0 0 299.399 3.541 50 30 CHEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccncc1 ZINC000040162169 567199247 /nfs/dbraw/zinc/19/92/47/567199247.db2.gz WWHMDRMJJOHVAJ-UHFFFAOYSA-N 0 0 292.791 3.625 50 30 CHEARN O=C1C=CC=C/C1=C/C=C1\OC=CC2=C1CCCC2 ZINC000409415894 567216553 /nfs/dbraw/zinc/21/65/53/567216553.db2.gz IVROPHVIKAMADU-QDJKKUJYSA-N 0 0 252.313 3.906 50 30 CHEARN O=C1c2ccccc2OC/C1=C\c1c[nH]c2ccccc12 ZINC000000084809 567817717 /nfs/dbraw/zinc/81/77/17/567817717.db2.gz OUMZDLAYZKGCGN-UKTHLTGXSA-N 0 0 275.307 3.827 50 30 CHEARN Cc1onc(-c2ccccc2)c1-c1csc(CC#N)n1 ZINC000000113950 567818694 /nfs/dbraw/zinc/81/86/94/567818694.db2.gz ULSMJXVTOYPUOH-UHFFFAOYSA-N 0 0 281.340 3.840 50 30 CHEARN COc1ccc(/C=C/C(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000000112561 567818763 /nfs/dbraw/zinc/81/87/63/567818763.db2.gz IOZVKDXPBWBUKY-LQIBPGRFSA-N 0 0 294.350 4.000 50 30 biogenic,in-vitro CHEARN O=C1ON=C(CSc2ccccc2)/C1=C/c1ccccc1 ZINC000000172527 567821297 /nfs/dbraw/zinc/82/12/97/567821297.db2.gz PJSQSFAIYIRCMG-PTNGSMBKSA-N 0 0 295.363 3.775 50 30 CHEARN CO/N=C1\C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000000173728 567821302 /nfs/dbraw/zinc/82/13/02/567821302.db2.gz MATFMUXRVJWSLS-WUVIJCSQSA-N 0 0 253.301 3.561 50 30 CHEARN COc1ccc(NC(=S)NCc2ccc(F)cc2)cc1 ZINC000000227908 567822512 /nfs/dbraw/zinc/82/25/12/567822512.db2.gz VLSUCNDQOCTPEP-UHFFFAOYSA-N 0 0 290.363 3.732 50 30 CHEARN CCCC(=O)C1=C(Nc2ccncc2)CC(C)(C)CC1=O ZINC000000287258 567823902 /nfs/dbraw/zinc/82/39/02/567823902.db2.gz MHEHJQHGLABKRF-UHFFFAOYSA-N 0 0 286.375 3.506 50 30 CHEARN CC(=O)ONc1ccc(C(C)(C)C)cc1Br ZINC000000345879 567826042 /nfs/dbraw/zinc/82/60/42/567826042.db2.gz AEFLHJAZYMQSMC-UHFFFAOYSA-N 0 0 286.169 3.637 50 30 CHEARN COC(=O)c1ccc(/C=C2/Sc3ccccc3C2=O)cc1 ZINC000000478748 567832625 /nfs/dbraw/zinc/83/26/25/567832625.db2.gz TZNOZLHUNLPGJK-XNTDXEJSSA-N 0 0 296.347 3.803 50 30 CHEARN COc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1 ZINC000000516963 567833424 /nfs/dbraw/zinc/83/34/24/567833424.db2.gz KBXXRLKOQDYBQW-SFQUDFHCSA-N 0 0 254.333 3.512 50 30 CHEARN Cc1cccc(/C=N/c2cc([N+](=O)[O-])ccc2F)c1 ZINC000000566773 567833563 /nfs/dbraw/zinc/83/35/63/567833563.db2.gz ROTQSWDMIVDYJH-CXUHLZMHSA-N 0 0 258.252 3.793 50 30 CHEARN COc1ccc2nc(/N=C/c3ccccc3O)sc2c1 ZINC000001045619 567835865 /nfs/dbraw/zinc/83/58/65/567835865.db2.gz LZMHYHCFLLVKRO-CXUHLZMHSA-N 0 0 284.340 3.761 50 30 CHEARN O=C1CCCC(=O)C1=CNc1cc(Cl)cc(Cl)c1 ZINC000001392688 567836857 /nfs/dbraw/zinc/83/68/57/567836857.db2.gz LJDRTXMNBCNNHC-UHFFFAOYSA-N 0 0 284.142 3.611 50 30 CHEARN CC(C)(c1ccccc1)c1ccc(OC[C@H]2CO2)cc1 ZINC000001850274 567843844 /nfs/dbraw/zinc/84/38/44/567843844.db2.gz MHTUIBIYJWEQKA-KRWDZBQOSA-N 0 0 268.356 3.790 50 30 CHEARN Fc1c(F)c(F)c(OCC(F)(F)C(F)F)c(F)c1F ZINC000002530895 567847636 /nfs/dbraw/zinc/84/76/36/567847636.db2.gz YXQDEALNNYDUIZ-UHFFFAOYSA-N 0 0 298.104 3.661 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccc(F)cc2)c(OC)c1 ZINC000003995528 567854710 /nfs/dbraw/zinc/85/47/10/567854710.db2.gz FRCWAQMDSSPPFN-BJMVGYQFSA-N 0 0 286.302 3.739 50 30 biogenic CHEARN CCCOC(=O)c1ccc(/N=C/c2ccccc2O)cc1 ZINC000004119263 567855291 /nfs/dbraw/zinc/85/52/91/567855291.db2.gz GILCEOQXOCQTJY-LDADJPATSA-N 0 0 283.327 3.710 50 30 CHEARN CN(C)c1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 ZINC000004192051 567855778 /nfs/dbraw/zinc/85/57/78/567855778.db2.gz WXIXYWVTPSVBET-LFYBBSHMSA-N 0 0 269.319 3.788 50 30 CHEARN COc1cccc(OC)c1C(=O)/C=C/c1ccc(F)cc1 ZINC000004252727 567856329 /nfs/dbraw/zinc/85/63/29/567856329.db2.gz GTKUWWYIQCDBNC-DHZHZOJOSA-N 0 0 286.302 3.739 50 30 CHEARN CC(C)(C)c1csc(N=NCc2cccs2)n1 ZINC000004300220 567856753 /nfs/dbraw/zinc/85/67/53/567856753.db2.gz VGZRHDSAHNXYMZ-NTUHNPAUSA-N 0 0 265.407 3.948 50 30 CHEARN CC(=O)Nc1ccc(C(=O)/C=C/c2ccccc2)cc1 ZINC000004612934 567858632 /nfs/dbraw/zinc/85/86/32/567858632.db2.gz CUYJTAUCYGHYLW-KPKJPENVSA-N 0 0 265.312 3.541 50 30 in-vivo CHEARN CCN(C[C@@H](C)C#N)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000042295970 567859703 /nfs/dbraw/zinc/85/97/03/567859703.db2.gz AOMXJUOQDKJGFH-VIFPVBQESA-N 0 0 285.174 3.615 50 30 CHEARN Cc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)o1 ZINC000002692993 567860086 /nfs/dbraw/zinc/86/00/86/567860086.db2.gz NPBMLANEZSPABT-UHFFFAOYSA-N 0 0 298.338 3.716 50 30 CHEARN O=C1CC(=O)CC(c2ccc(Cl)c(Cl)c2)C1 ZINC000004328622 567861860 /nfs/dbraw/zinc/86/18/60/567861860.db2.gz GUAGWXTVNDXCMH-MRVPVSSYSA-N 0 0 257.116 3.882 50 30 CHEARN C=CCSC1=N/C(=C\C=C\c2ccco2)C(=O)S1 ZINC000012343933 567862641 /nfs/dbraw/zinc/86/26/41/567862641.db2.gz CPXSSTSRVQBMDA-PGACXJNKSA-N 0 0 277.370 3.725 50 30 CHEARN CC[C@H](C(=O)N(C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000032618101 567863916 /nfs/dbraw/zinc/86/39/16/567863916.db2.gz KQZKOVYDWIROIN-SFHVURJKSA-N 0 0 292.382 3.710 50 30 CHEARN N#CC(=NNc1cccc(Cl)c1)C(=O)c1ccccc1 ZINC000013111736 567864742 /nfs/dbraw/zinc/86/47/42/567864742.db2.gz OACSOFKENCAAQU-XMHGGMMESA-N 0 0 283.718 3.514 50 30 CHEARN CC(=O)C(=NNc1ccccc1)Nc1cccc(Cl)c1 ZINC000013473554 567866349 /nfs/dbraw/zinc/86/63/49/567866349.db2.gz LQXQJSMKUNUOJO-UHFFFAOYSA-N 0 0 287.750 3.576 50 30 CHEARN COc1cccc(/C=C/C(=O)c2ccc(C)o2)c1OC ZINC000014187506 567868676 /nfs/dbraw/zinc/86/86/76/567868676.db2.gz RKFUYVPHYBKMSJ-CMDGGOBGSA-N 0 0 272.300 3.501 50 30 CHEARN C(=N/Cc1ccc2c(c1)OCO2)\c1ccc2[nH]ccc2c1 ZINC000019894268 567879622 /nfs/dbraw/zinc/87/96/22/567879622.db2.gz BLJSVFYVYVBYFP-GIJQJNRQSA-N 0 0 278.311 3.516 50 30 CHEARN COc1cccc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)C2 ZINC000019927790 567879965 /nfs/dbraw/zinc/87/99/65/567879965.db2.gz RJJXDWKVXZSKMX-RVDMUPIBSA-N 0 0 293.366 3.584 50 30 CHEARN CC(C)(C)[C@@H](NC(=O)Nc1cccc(C#N)c1)C(F)(F)F ZINC000072306164 567886726 /nfs/dbraw/zinc/88/67/26/567886726.db2.gz ZOIONMHLYUZCQV-LLVKDONJSA-N 0 0 299.296 3.657 50 30 CHEARN CCOc1cccc(/C=N/c2cccc3nsnc32)c1O ZINC000005005790 567888533 /nfs/dbraw/zinc/88/85/33/567888533.db2.gz CFGCTCACYAHZFM-CXUHLZMHSA-N 0 0 299.355 3.546 50 30 CHEARN C=CCNc1ncccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000033004347 567891100 /nfs/dbraw/zinc/89/11/00/567891100.db2.gz DHFYUEKVNCUKAB-UHFFFAOYSA-N 0 0 292.342 3.705 50 30 CHEARN Cc1cc2c(cc1C(=O)/C=C/N(C)C)[C@H](C)CC(C)(C)N2 ZINC000575421806 567892723 /nfs/dbraw/zinc/89/27/23/567892723.db2.gz GPFBVQJWHQSKFI-SBDDDAINSA-N 0 0 286.419 3.951 50 30 CHEARN CN1N=C(C(C)(C)C)CS/C1=N/c1ccc(F)cc1 ZINC000061966120 567897193 /nfs/dbraw/zinc/89/71/93/567897193.db2.gz ALJKGVACVAAZMZ-DTQAZKPQSA-N 0 0 279.384 3.894 50 30 CHEARN COc1ccc2c(c1)S/C(=C\C=C1C=CC(=O)C=C1)N2C ZINC000334158697 567899722 /nfs/dbraw/zinc/89/97/22/567899722.db2.gz TXBRNEMRKSQPCK-YVLHZVERSA-N 0 0 297.379 3.700 50 30 biogenic CHEARN Cc1cccc(NC=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000004688128 567901791 /nfs/dbraw/zinc/90/17/91/567901791.db2.gz CQBGUCIMASWYIE-MDZDMXLPSA-N 0 0 282.299 3.712 50 30 CHEARN N#CCCC[S@](=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000097164027 567905555 /nfs/dbraw/zinc/90/55/55/567905555.db2.gz YMHLHWNOFWZZGT-GOSISDBHSA-N 0 0 295.713 3.770 50 30 CHEARN C[C@H]1CCc2c(C#N)c(/N=C/c3cccnc3)sc2C1 ZINC000000066921 567906607 /nfs/dbraw/zinc/90/66/07/567906607.db2.gz VFGHWVNOEYXQQG-VSMYLPJWSA-N 0 0 281.384 3.890 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1O ZINC000033374195 567910383 /nfs/dbraw/zinc/91/03/83/567910383.db2.gz IATZESCYNFYSEI-WAPJZHGLSA-N 0 0 288.730 3.950 50 30 CHEARN Clc1nc2sccn2c1/C=N/c1ccccc1 ZINC000100334814 567912880 /nfs/dbraw/zinc/91/28/80/567912880.db2.gz CSBYORUDPIZQTG-RIYZIHGNSA-N 0 0 261.737 3.800 50 30 CHEARN O=C(C1=C(O)C(=Cc2ccccc2)CCC1)C(F)(F)F ZINC000100341532 567912881 /nfs/dbraw/zinc/91/28/81/567912881.db2.gz SGWBMTTZEOAUDY-ZKQHCESOSA-N 0 0 282.261 3.571 50 30 CHEARN C#CCN(CC#C)Cc1sc2ccccc2c1Cl ZINC000072305045 567914040 /nfs/dbraw/zinc/91/40/40/567914040.db2.gz UBGAOZODJHOXFI-UHFFFAOYSA-N 0 0 273.788 3.623 50 30 CHEARN Cc1nn(C)c(Cl)c1/C=N/c1ccc(F)c(Cl)c1 ZINC000000159874 567924121 /nfs/dbraw/zinc/92/41/21/567924121.db2.gz HHRABHRQPQOYGH-OMCISZLKSA-N 0 0 286.137 3.925 50 30 CHEARN Cc1ccc(NC2=CC(=O)CC(C)(C)C2)c(C#N)c1 ZINC000000321848 567926817 /nfs/dbraw/zinc/92/68/17/567926817.db2.gz ZKTFGPFKWZZZPD-UHFFFAOYSA-N 0 0 254.333 3.552 50 30 CHEARN O=C1c2ccccc2SC1=CNc1ccc([N+](=O)[O-])cc1 ZINC000100479622 567927670 /nfs/dbraw/zinc/92/76/70/567927670.db2.gz XDLIBYCMBFEMAR-ZROIWOOFSA-N 0 0 298.323 3.837 50 30 CHEARN COc1ccccc1-c1nc2sc(C#N)c(C)c2c(C)n1 ZINC000000124188 567937744 /nfs/dbraw/zinc/93/77/44/567937744.db2.gz YHEZYXSBHSNMFL-UHFFFAOYSA-N 0 0 295.367 3.855 50 30 CHEARN CCN(CC)c1ccc(/N=C/c2ccc(O)c(OC)c2)cc1 ZINC000000498495 567940203 /nfs/dbraw/zinc/94/02/03/567940203.db2.gz HYIHPVRKKUSQDQ-CPNJWEJPSA-N 0 0 298.386 3.998 50 30 CHEARN Clc1ccc(/C=N/c2ccc3c(c2)OCCO3)cc1 ZINC000101136284 567940823 /nfs/dbraw/zinc/94/08/23/567940823.db2.gz FIEPNCHITIIHBM-LICLKQGHSA-N 0 0 273.719 3.862 50 30 CHEARN Cc1cccc(/N=C/c2cc3cccc(C)c3[nH]c2=O)c1 ZINC000000526920 567942465 /nfs/dbraw/zinc/94/24/65/567942465.db2.gz KKQWRCVGDDPQIC-YBFXNURJSA-N 0 0 276.339 3.896 50 30 CHEARN CCn1cc(C(=O)[C@H](C#N)c2ccccn2)c2ccccc21 ZINC000049456712 567946769 /nfs/dbraw/zinc/94/67/69/567946769.db2.gz IWJWZYNIJNQMOV-CQSZACIVSA-N 0 0 289.338 3.546 50 30 CHEARN CC1(C)CCCN(Cc2coc3ccccc23)[C@@H]1C#N ZINC000225586857 567953947 /nfs/dbraw/zinc/95/39/47/567953947.db2.gz VYPQSVABLVHIDP-MRXNPFEDSA-N 0 0 268.360 3.947 50 30 CHEARN O=[N+]([O-])c1ccc(N=NCc2cccc3ccccc32)nc1 ZINC000004550174 570224968 /nfs/dbraw/zinc/22/49/68/570224968.db2.gz XPRAXUIIKSBGRC-VCHYOVAHSA-N 0 0 292.298 3.589 50 30 CHEARN COC(=O)c1ccc(/C=N/c2ccc3ncccc3c2)cc1 ZINC000000085511 570255445 /nfs/dbraw/zinc/25/54/45/570255445.db2.gz PHFSZHLIYFMOEX-UDWIEESQSA-N 0 0 290.322 3.772 50 30 CHEARN COc1ccc(NC=C2Sc3ccccc3C2=O)cc1 ZINC000100288498 570266389 /nfs/dbraw/zinc/26/63/89/570266389.db2.gz DSVSPNGJUOCYSD-XNTDXEJSSA-N 0 0 283.352 3.937 50 30 CHEARN COc1ccccc1[C@H](CC#N)[C@H]1CCOC(C)(C)C1 ZINC000000447081 570271341 /nfs/dbraw/zinc/27/13/41/570271341.db2.gz YVMJVMVBULDODL-UONOGXRCSA-N 0 0 273.376 3.898 50 30 CHEARN CN(Cc1ccccc1)c1oc(-c2ccccc2)nc1C#N ZINC000000135182 570279411 /nfs/dbraw/zinc/27/94/11/570279411.db2.gz XZEKCNJLFDRNRP-UHFFFAOYSA-N 0 0 289.338 3.850 50 30 CHEARN N#Cc1c(NC=CC(=O)c2ccco2)sc2c1CCCC2 ZINC000106520465 570292432 /nfs/dbraw/zinc/29/24/32/570292432.db2.gz QKJKRRQLWGGCLU-FPLPWBNLSA-N 0 0 298.367 3.900 50 30 CHEARN C[C@@H](c1cccs1)N(C)C(=O)/C=C/c1ccccc1C#N ZINC000048249280 570296628 /nfs/dbraw/zinc/29/66/28/570296628.db2.gz WUHLTOQYPZDRAB-LXKVQUBZSA-N 0 0 296.395 3.853 50 30 CHEARN C=C(C)CCc1cc(Br)ccc1OC ZINC000043209526 570331108 /nfs/dbraw/zinc/33/11/08/570331108.db2.gz PSXBTGGBUPYWKZ-UHFFFAOYSA-N 0 0 255.155 3.966 50 30 CHEARN Cc1ccc(C(=O)/C=C\c2ccc(N(C)C)cc2)cc1 ZINC000004558909 570332272 /nfs/dbraw/zinc/33/22/72/570332272.db2.gz WDFJWHWYPOZAQG-JYRVWZFOSA-N 0 0 265.356 3.957 50 30 CHEARN COc1cc2c(C)c(C)[nH]c2cc1NC(C)=CC(C)=O ZINC000001428528 570335856 /nfs/dbraw/zinc/33/58/56/570335856.db2.gz KTYPZAVQNXSARC-RMKNXTFCSA-N 0 0 272.348 3.698 50 30 CHEARN C=CCNC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000012754194 570336784 /nfs/dbraw/zinc/33/67/84/570336784.db2.gz RSLUNRWQJKDGEN-QWHCGFSZSA-N 0 0 298.411 3.648 50 30 CHEARN CCN(C[C@H](C)C#N)C(=O)Nc1cc(C)cc2cccnc21 ZINC000092146589 570355459 /nfs/dbraw/zinc/35/54/59/570355459.db2.gz XZQSDXOFMKDKLR-CYBMUJFWSA-N 0 0 296.374 3.557 50 30 CHEARN Cc1cc(/C=C2/CCc3cc(O)ccc3C2=O)cc(C)c1O ZINC000170617658 570363264 /nfs/dbraw/zinc/36/32/64/570363264.db2.gz LBQWAUOFKALHPC-DHDCSXOGSA-N 0 0 294.350 3.927 50 30 CHEARN CC[C@@H]1CN(C(=O)C[C@H](C)C#N)CC[C@@H]1c1ccccc1 ZINC000253404797 570385036 /nfs/dbraw/zinc/38/50/36/570385036.db2.gz RWNRWUWUFCPFFM-UXLLHSPISA-N 0 0 284.403 3.578 50 30 CHEARN N#Cc1ccc(NC(=O)c2csc3c2CCCC3)cc1 ZINC000000140500 570386817 /nfs/dbraw/zinc/38/68/17/570386817.db2.gz KVNGGMXVKKBUHI-UHFFFAOYSA-N 0 0 282.368 3.751 50 30 CHEARN CC[C@H]1CCc2c(C#N)c(NC(=O)C(C)C)sc2C1 ZINC000000483216 570388817 /nfs/dbraw/zinc/38/88/17/570388817.db2.gz ZRNVCEFYZNOZQJ-JTQLQIEISA-N 0 0 276.405 3.729 50 30 CHEARN N#CCCCOc1cccnc1NCc1cccc(F)c1 ZINC000162243425 570397994 /nfs/dbraw/zinc/39/79/94/570397994.db2.gz KLXQOSJUIJGMHY-UHFFFAOYSA-N 0 0 285.322 3.515 50 30 CHEARN COC(=O)c1ccc(/C=C/C(=O)C2CCCCC2)cc1 ZINC000002661517 1125664078 /nfs/dbraw/zinc/66/40/78/1125664078.db2.gz FDUGZYXEZMBHBC-FMIVXFBMSA-N 0 0 272.344 3.636 50 30 CHEARN C=CCCC(=O)N1CCC[C@@H](CCc2ccccc2F)C1 ZINC000065376573 1125676390 /nfs/dbraw/zinc/67/63/90/1125676390.db2.gz BBSMXZFOGISMON-HNNXBMFYSA-N 0 0 289.394 3.963 50 30 CHEARN COc1cccc(F)c1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000104190770 1126764129 /nfs/dbraw/zinc/76/41/29/1126764129.db2.gz VGPWKLMRSWOSPX-KTKRTIGZSA-N 0 0 281.286 3.602 50 30 CHEARN O=C(C=CNc1ccc2ccccc2c1)C(F)(F)F ZINC000105915939 1126773749 /nfs/dbraw/zinc/77/37/49/1126773749.db2.gz VOKZIGVBIWCNEV-FPLPWBNLSA-N 0 0 265.234 3.897 50 30 CHEARN N#Cc1nccnc1Oc1ccc(Nc2ccccc2)cc1 ZINC000065589819 1126855299 /nfs/dbraw/zinc/85/52/99/1126855299.db2.gz WHXNLXXYOVVOQH-UHFFFAOYSA-N 0 0 288.310 3.884 50 30 CHEARN CCCCNC(=S)NN=C(C)c1cccc2ccccc21 ZINC000254487384 1127102258 /nfs/dbraw/zinc/10/22/58/1127102258.db2.gz HATXIFKKIAKLQU-UHFFFAOYSA-N 0 0 299.443 3.828 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1C ZINC000011285299 1127776399 /nfs/dbraw/zinc/77/63/99/1127776399.db2.gz BKHMMJLMRWLEDY-YCRREMRBSA-N 0 0 268.312 3.605 50 30 CHEARN COc1cccc2cc(C(=O)/C=C/c3cccnc3)oc21 ZINC000012526630 1127890409 /nfs/dbraw/zinc/89/04/09/1127890409.db2.gz KDVHIKAORITSQD-BQYQJAHWSA-N 0 0 279.295 3.733 50 30 CHEARN N#Cc1ccc(CNc2ccc(SCCCO)cc2)cc1 ZINC000089787912 1127919336 /nfs/dbraw/zinc/91/93/36/1127919336.db2.gz VETZCUYKZYIMBO-UHFFFAOYSA-N 0 0 298.411 3.645 50 30 CHEARN O/N=C(\c1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000004481367 1117980942 /nfs/dbraw/zinc/98/09/42/1117980942.db2.gz HRNGWGNPIOCPIE-NTCAYCPXSA-N 0 0 273.163 3.615 50 30 CHEARN C=C(C)CSc1n[nH]c(C=Cc2cccs2)n1 ZINC000013019844 1118025284 /nfs/dbraw/zinc/02/52/84/1118025284.db2.gz OMGJIFWDRMZOOB-AATRIKPKSA-N 0 0 263.391 3.705 50 30 CHEARN N#Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000000385366 1119159644 /nfs/dbraw/zinc/15/96/44/1119159644.db2.gz UAWKLVCKARXKBQ-UHFFFAOYSA-N 0 0 290.244 3.829 50 30 CHEARN C=CCn1c2ccccc2nc1/N=C/c1ccc(OC)cc1 ZINC000017996094 1120015831 /nfs/dbraw/zinc/01/58/31/1120015831.db2.gz PIXYLXZGODOIEM-CPNJWEJPSA-N 0 0 291.354 3.982 50 30 CHEARN Cc1ccc(NN=C(C#N)C(=O)c2ccccc2Cl)cc1 ZINC000252637993 1128896139 /nfs/dbraw/zinc/89/61/39/1128896139.db2.gz XYDPCDJBAQETNW-UHFFFAOYSA-N 0 0 297.745 3.823 50 30 CHEARN Cn1cc(/C=C/C(=O)c2ccc3cccc4c3c2CC4)cn1 ZINC000014180406 1120320274 /nfs/dbraw/zinc/32/02/74/1120320274.db2.gz OYOSWOYOZJPLAF-BJMVGYQFSA-N 0 0 288.350 3.568 50 30 CHEARN C[C@H](c1cccs1)N(C)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000053314691 1120458198 /nfs/dbraw/zinc/45/81/98/1120458198.db2.gz FTJGTAJOGUPTPG-ASCRHOAZSA-N 0 0 296.395 3.853 50 30 CHEARN FC(F)(F)CN=Nc1ncc(C(F)(F)F)cc1Cl ZINC000261494718 1121792179 /nfs/dbraw/zinc/79/21/79/1121792179.db2.gz AAHGGHSAOSPVJU-IJUHEHPCSA-N 0 0 291.582 3.714 50 30 CHEARN CN(Cc1cccc(Cl)c1Cl)c1ncccc1C#N ZINC000012814460 1123493198 /nfs/dbraw/zinc/49/31/98/1123493198.db2.gz UJCMZFHHRLMBDW-UHFFFAOYSA-N 0 0 292.169 3.896 50 30 CHEARN C=CCNC(=O)/C(=C/c1cccc(C)c1)c1cccs1 ZINC000089668964 1129246309 /nfs/dbraw/zinc/24/63/09/1129246309.db2.gz MALKMCYHDLYOPN-NTCAYCPXSA-N 0 0 283.396 3.899 50 30 CHEARN COc1ccccc1/C=C\C(=O)c1ccc(C)cc1OC ZINC000096930510 1129577364 /nfs/dbraw/zinc/57/73/64/1129577364.db2.gz BDCTVVSZQLITSJ-LUAWRHEFSA-N 0 0 282.339 3.908 50 30 CHEARN Cc1ncsc1/C=C\C(=O)c1ccccc1-n1cccn1 ZINC000098056079 1129643341 /nfs/dbraw/zinc/64/33/41/1129643341.db2.gz GYOJJKBOKLYGPS-FPLPWBNLSA-N 0 0 295.367 3.533 50 30 CHEARN Oc1ccc(N=Cc2ccc[nH]2)cc1N=Cc1ccc[nH]1 ZINC000254308382 1129684649 /nfs/dbraw/zinc/68/46/49/1129684649.db2.gz LHLCDYCNPSEQHG-UHFFFAOYSA-N 0 0 278.315 3.550 50 30 CHEARN Clc1ccc(N=C2SC[C@H]3CCCCN23)cc1 ZINC000254447848 1129695239 /nfs/dbraw/zinc/69/52/39/1129695239.db2.gz IUHIEDNDUXHRCG-GFCCVEGCSA-N 0 0 266.797 3.929 50 30 CHEARN C(=NN1CCOCC1)c1c2ccccc2cc2ccccc21 ZINC000254450206 1129695433 /nfs/dbraw/zinc/69/54/33/1129695433.db2.gz SHLBSYBOFHHNJU-UHFFFAOYSA-N 0 0 290.366 3.659 50 30 CHEARN N#Cc1ccc(OCc2ccccc2)cc1Br ZINC000217045942 1130886006 /nfs/dbraw/zinc/88/60/06/1130886006.db2.gz SNCBUORSKHSVRW-UHFFFAOYSA-N 0 0 288.144 3.900 50 30 CHEARN C=CCN(Cc1ccc(C)cc1)C(=O)c1cc(C2CC2)no1 ZINC000952961123 1132016694 /nfs/dbraw/zinc/01/66/94/1132016694.db2.gz MAJAXCHVOUSLBJ-UHFFFAOYSA-N 0 0 296.370 3.689 50 30 CHEARN C#CCCC1(CCC(=O)Nc2cnc3ccccc3c2)N=N1 ZINC000952883526 1132016955 /nfs/dbraw/zinc/01/69/55/1132016955.db2.gz USZIJWPRWWSXJG-UHFFFAOYSA-N 0 0 292.342 3.529 50 30 CHEARN C#CCCC1(CCC(=O)NCc2ccc(C3CC3)cc2)N=N1 ZINC000952881304 1132017332 /nfs/dbraw/zinc/01/73/32/1132017332.db2.gz GKSOFJZKKZQEGE-UHFFFAOYSA-N 0 0 295.386 3.536 50 30 CHEARN N#Cc1c(N)nc(CC2CCCC2)cc1-c1ccccc1 ZINC000952992748 1132018586 /nfs/dbraw/zinc/01/85/86/1132018586.db2.gz AJGWYGJQUMRHDS-UHFFFAOYSA-N 0 0 277.371 3.935 50 30 CHEARN N#Cc1ccc(Br)cc1NC1CCCC1 ZINC000082046493 177918142 /nfs/dbraw/zinc/91/81/42/177918142.db2.gz DUXJYVKEPCKAPZ-UHFFFAOYSA-N 0 0 265.154 3.675 50 30 CHEARN COc1ccc([C@@H](CC#N)[C@H]2CCOC(C)(C)C2)cc1 ZINC000000080261 230365706 /nfs/dbraw/zinc/36/57/06/230365706.db2.gz RFPAQGZYPUHWHW-GOEBONIOSA-N 0 0 273.376 3.898 50 30 CHEARN N#CCCSc1ccccc1NC(=O)c1ccccc1 ZINC000095953583 185040829 /nfs/dbraw/zinc/04/08/29/185040829.db2.gz JRSQRFNOPQBFKJ-UHFFFAOYSA-N 0 0 282.368 3.945 50 30 CHEARN N#Cc1cc(C(F)(F)F)ccc1NCCCOCC1CC1 ZINC000095963264 185045064 /nfs/dbraw/zinc/04/50/64/185045064.db2.gz ORQDMZWWXOGHEK-UHFFFAOYSA-N 0 0 298.308 3.806 50 30 CHEARN Cc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000095972542 185049488 /nfs/dbraw/zinc/04/94/88/185049488.db2.gz MSRNSVNXYVLGDU-LBPRGKRZSA-N 0 0 281.315 3.948 50 30 CHEARN O=C(C=CNc1ccccc1Br)C(F)(F)F ZINC000096032349 185067054 /nfs/dbraw/zinc/06/70/54/185067054.db2.gz AKHNWWMBECUQCJ-AATRIKPKSA-N 0 0 294.070 3.506 50 30 CHEARN O=C1c2cc(F)ccc2SC/C1=C/c1cccnc1 ZINC000096765526 185111440 /nfs/dbraw/zinc/11/14/40/185111440.db2.gz MSVCHUUHBXBVPH-WDZFZDKYSA-N 0 0 271.316 3.593 50 30 CHEARN O=C(/C=C\c1ccccc1Cl)c1cccc(O)c1 ZINC000096792706 185114263 /nfs/dbraw/zinc/11/42/63/185114263.db2.gz QNOFSSIICYUGIL-HJWRWDBZSA-N 0 0 258.704 3.942 50 30 CHEARN O=C1c2cccc(F)c2SC/C1=C\c1cccnc1 ZINC000096925162 185131370 /nfs/dbraw/zinc/13/13/70/185131370.db2.gz ANMSCWPIRXRVBJ-YRNVUSSQSA-N 0 0 271.316 3.593 50 30 CHEARN COc1ccc(/C=C2/Cc3ccccc3C2=O)cc1C ZINC000096931565 185132140 /nfs/dbraw/zinc/13/21/40/185132140.db2.gz AOLHNTKOGKBOFX-GDNBJRDFSA-N 0 0 264.324 3.826 50 30 CHEARN Cc1ccccc1NC(=O)/C=C\c1ccc(C#N)cc1 ZINC000098053402 185677525 /nfs/dbraw/zinc/67/75/25/185677525.db2.gz BJRVBIBDSNKDTI-KHPPLWFESA-N 0 0 262.312 3.519 50 30 CHEARN N#Cc1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000085477012 179079636 /nfs/dbraw/zinc/07/96/36/179079636.db2.gz YYOKELCIXZRZQP-UHFFFAOYSA-N 0 0 290.366 3.851 50 30 CHEARN CCOc1ccc(/C=N/c2ccc(Cl)cn2)cc1 ZINC000100243483 185709738 /nfs/dbraw/zinc/70/97/38/185709738.db2.gz KLSOUWSFTCJCTD-CXUHLZMHSA-N 0 0 260.724 3.884 50 30 CHEARN COc1ccc(/N=C/c2ccc(Br)o2)cc1 ZINC000000060139 169522111 /nfs/dbraw/zinc/52/21/11/169522111.db2.gz SZJZAESIKJWNTK-RIYZIHGNSA-N 0 0 280.121 3.801 50 30 CHEARN CC(C)(C)C1=C[C@H](C(C#N)C#N)c2ccccc2O1 ZINC000000086355 169531069 /nfs/dbraw/zinc/53/10/69/169531069.db2.gz IMBXCARUPOSNGA-CYBMUJFWSA-N 0 0 252.317 3.756 50 30 CHEARN N#CCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000000092405 169533553 /nfs/dbraw/zinc/53/35/53/169533553.db2.gz MZNIAPBSYKIHAU-UHFFFAOYSA-N 0 0 257.720 3.985 50 30 CHEARN CSC1=NC(C)(C)C[C@]12C=CC(=O)c1ccccc12 ZINC000000105511 169538119 /nfs/dbraw/zinc/53/81/19/169538119.db2.gz GJPBKQLJAFTOSI-INIZCTEOSA-N 0 0 271.385 3.621 50 30 CHEARN N#CCc1nc(-c2ccc(C(F)(F)F)cc2)cs1 ZINC000000113921 169540659 /nfs/dbraw/zinc/54/06/59/169540659.db2.gz SJRFZLGHBGYMRQ-UHFFFAOYSA-N 0 0 268.263 3.895 50 30 CHEARN CC(C)(C)c1ccc2[nH]c3c(c2c1)CCC/C3=N/O ZINC000000173761 169563987 /nfs/dbraw/zinc/56/39/87/169563987.db2.gz HYEYBQKKVWQICI-JXAWBTAJSA-N 0 0 256.349 3.980 50 30 CHEARN CC(=O)N(c1ccc(Cl)cc1)c1nc(C)cc(C)c1C#N ZINC000000178529 169565624 /nfs/dbraw/zinc/56/56/24/169565624.db2.gz SUFKSCDLXROBJB-UHFFFAOYSA-N 0 0 299.761 3.908 50 30 CHEARN COc1cccc(/N=C/c2c[nH]c3ccccc23)c1 ZINC000000243292 169585090 /nfs/dbraw/zinc/58/50/90/169585090.db2.gz DCPWMQVQFZFQFQ-LICLKQGHSA-N 0 0 250.301 3.927 50 30 CHEARN COc1ccc(NC=C2CCc3ccccc3C2=O)cc1 ZINC000000240645 169583835 /nfs/dbraw/zinc/58/38/35/169583835.db2.gz KYOUCUAHDBNJJJ-OWBHPGMISA-N 0 0 279.339 3.820 50 30 CHEARN Cc1cc(C)c(C#N)c(SCc2ccccc2[N+](=O)[O-])n1 ZINC000000312174 169605571 /nfs/dbraw/zinc/60/55/71/169605571.db2.gz NHZUMHVJZBLCPW-UHFFFAOYSA-N 0 0 299.355 3.771 50 30 CHEARN CC#C[C@@H](Cc1ccccc1)OC(=O)Nc1ccccc1 ZINC000000343726 169612334 /nfs/dbraw/zinc/61/23/34/169612334.db2.gz RBGREFJAKPORHV-KRWDZBQOSA-N 0 0 279.339 3.870 50 30 CHEARN C=CCN(CC=C)C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000000466684 169648299 /nfs/dbraw/zinc/64/82/99/169648299.db2.gz VPNDNQXRYGKUHC-UHFFFAOYSA-N 0 0 293.794 3.698 50 30 CHEARN CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#N)CC[C@@H]21 ZINC000004023041 184528519 /nfs/dbraw/zinc/52/85/19/184528519.db2.gz OCCKPAXCEIDZSF-JGGQBBKZSA-N 0 0 257.333 3.608 50 30 biogenic CHEARN N#Cc1ccnc(-c2ccccc2OC(F)(F)F)c1 ZINC000071589610 256857018 /nfs/dbraw/zinc/85/70/18/256857018.db2.gz HOOBMWHFBYOFIA-UHFFFAOYSA-N 0 0 264.206 3.519 50 30 CHEARN CC1NC(=S)C(C#N)=C1c1ccc(Br)cc1 ZINC000001270565 169693524 /nfs/dbraw/zinc/69/35/24/169693524.db2.gz TZLVCSKOTIOWRA-UHFFFAOYSA-N 0 0 293.189 3.913 50 30 CHEARN Cc1c(OCC#N)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000001904737 169762876 /nfs/dbraw/zinc/76/28/76/169762876.db2.gz WPJWVMXHGYVNHX-UHFFFAOYSA-N 0 0 291.306 3.671 50 30 CHEARN CC(C)Oc1ccc(C(=O)Nc2sccc2C#N)cc1 ZINC000002692904 169820780 /nfs/dbraw/zinc/82/07/80/169820780.db2.gz ZKGTZNMQTBERCA-UHFFFAOYSA-N 0 0 286.356 3.659 50 30 CHEARN N#Cc1ccccc1NC(=O)c1ccc(Cl)s1 ZINC000004176910 169941279 /nfs/dbraw/zinc/94/12/79/169941279.db2.gz LPKSGDHJHOWNNS-UHFFFAOYSA-N 0 0 262.721 3.525 50 30 CHEARN C=C1N(c2ccc([N+](=O)[O-])cc2)C(=O)OC12CCCCC2 ZINC000004529385 169978322 /nfs/dbraw/zinc/97/83/22/169978322.db2.gz MCBJGEOKVUAOIV-UHFFFAOYSA-N 0 0 288.303 3.768 50 30 CHEARN CCSC1=N/C(=C\c2cccc(F)c2)C(=O)S1 ZINC000004660186 169994900 /nfs/dbraw/zinc/99/49/00/169994900.db2.gz IRAHFKBFTDWWPS-YFHOEESVSA-N 0 0 267.350 3.549 50 30 CHEARN COc1ccc(C(=O)/C=C(\C)c2ccc(OC)cc2)cc1 ZINC000004701569 170001224 /nfs/dbraw/zinc/00/12/24/170001224.db2.gz WGRIEPVIFFQACJ-OUKQBFOZSA-N 0 0 282.339 3.990 50 30 CHEARN CSc1nc2c(c(CC(C)C)c1C#N)CCCC2 ZINC000004734477 170007617 /nfs/dbraw/zinc/00/76/17/170007617.db2.gz QUMSUGYCMBMBNW-UHFFFAOYSA-N 0 0 260.406 3.752 50 30 CHEARN COC(=O)Nc1sc(C)c(-c2ccccc2)c1C#N ZINC000004777389 170015630 /nfs/dbraw/zinc/01/56/30/170015630.db2.gz FHUHBMCQIAMJRO-UHFFFAOYSA-N 0 0 272.329 3.774 50 30 CHEARN N#Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000004821480 170023520 /nfs/dbraw/zinc/02/35/20/170023520.db2.gz BFSRPHJWOXORND-UHFFFAOYSA-N 0 0 261.683 3.930 50 30 CHEARN N#Cc1ccccc1OCc1cccc(Br)c1 ZINC000004826897 170024926 /nfs/dbraw/zinc/02/49/26/170024926.db2.gz VLFPOZXJVSKVLA-UHFFFAOYSA-N 0 0 288.144 3.900 50 30 CHEARN CCc1nc(Cl)c(C#N)c2c1CSC(C)(C)C2 ZINC000004843892 170028989 /nfs/dbraw/zinc/02/89/89/170028989.db2.gz CZWWBQMAHRQLGP-UHFFFAOYSA-N 0 0 266.797 3.737 50 30 CHEARN C[C@H](CN=Nc1nc2ccccc2[nH]1)c1ccccc1 ZINC000004864200 170032758 /nfs/dbraw/zinc/03/27/58/170032758.db2.gz LBGQVLARMMBDQC-PBSOMRJOSA-N 0 0 264.332 3.764 50 30 CHEARN CCCNC1=C(c2ccc(OC)cc2)C(=O)c2ccccc21 ZINC000004997427 170052323 /nfs/dbraw/zinc/05/23/23/170052323.db2.gz SEPHPGOUYWJKLS-UHFFFAOYSA-N 0 0 293.366 3.759 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(C)o2)cc1OC ZINC000005003408 170053852 /nfs/dbraw/zinc/05/38/52/170053852.db2.gz SHJRAEDYHUSHHR-FNORWQNLSA-N 0 0 272.300 3.501 50 30 CHEARN Cc1cccc(/N=C/c2cc3ccccc3[nH]c2=O)c1 ZINC000005026841 170057843 /nfs/dbraw/zinc/05/78/43/170057843.db2.gz RJBJGXOMJMRCPE-WOJGMQOQSA-N 0 0 262.312 3.587 50 30 CHEARN COc1ccc(OC)c(/C=C/C(=O)c2ccc(C)cc2)c1 ZINC000005073059 170064293 /nfs/dbraw/zinc/06/42/93/170064293.db2.gz DZKARJSKIIICLA-CSKARUKUSA-N 0 0 282.339 3.908 50 30 CHEARN CCOc1ccccc1Oc1ccc([N+](=O)[O-])cc1C#N ZINC000005089980 170065237 /nfs/dbraw/zinc/06/52/37/170065237.db2.gz NDQRTAJNHYQFSK-UHFFFAOYSA-N 0 0 284.271 3.657 50 30 CHEARN O=C(/C=C/c1ccc(OC(F)F)cc1)c1ccc(O)cc1 ZINC000005128094 170068800 /nfs/dbraw/zinc/06/88/00/170068800.db2.gz JXLLYTXAASRALG-XCVCLJGOSA-N 0 0 290.265 3.890 50 30 CHEARN CC(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000005144837 170070591 /nfs/dbraw/zinc/07/05/91/170070591.db2.gz KJAMGKMDZTWYQE-UHFFFAOYSA-N 0 0 298.367 3.692 50 30 CHEARN CSc1nc2ccccc2n1Cc1ccc(C#N)cc1 ZINC000005186476 170074918 /nfs/dbraw/zinc/07/49/18/170074918.db2.gz OUVQWUNMKJFVDJ-UHFFFAOYSA-N 0 0 279.368 3.678 50 30 CHEARN CC1(C)Cc2occc2/C(=N\OC(=O)c2cccs2)C1 ZINC000005241285 170078817 /nfs/dbraw/zinc/07/88/17/170078817.db2.gz XZOBXHNZBUJZKI-WJDWOHSUSA-N 0 0 289.356 3.875 50 30 CHEARN N#CCSc1nc(-c2cccs2)nc2ccccc21 ZINC000005288093 170083381 /nfs/dbraw/zinc/08/33/81/170083381.db2.gz JYHOEYODXTWKPF-UHFFFAOYSA-N 0 0 283.381 3.974 50 30 CHEARN COc1cccc(/C=N/c2cccc(Cl)c2F)c1O ZINC000005290513 170083690 /nfs/dbraw/zinc/08/36/90/170083690.db2.gz GAMNMXVBSYLZHO-CAOOACKPSA-N 0 0 279.698 3.944 50 30 CHEARN CC(C)c1ccccc1OCC(=O)Oc1ccc(C#N)cc1 ZINC000005576834 170115342 /nfs/dbraw/zinc/11/53/42/170115342.db2.gz UVHXMSLKMHSDLK-UHFFFAOYSA-N 0 0 295.338 3.666 50 30 CHEARN CCCNc1nc(SC)nc(-c2ccc(C)cc2)c1C#N ZINC000005607399 170119264 /nfs/dbraw/zinc/11/92/64/170119264.db2.gz SJHNQSWIZHTVSY-UHFFFAOYSA-N 0 0 298.415 3.868 50 30 CHEARN Cc1ccc(-c2csc(N=NCc3ccccc3)n2)cc1 ZINC000005794948 170141364 /nfs/dbraw/zinc/14/13/64/170141364.db2.gz ONPTVNXRVFJCCX-WOJGMQOQSA-N 0 0 293.395 3.986 50 30 CHEARN C[C@]12CC[C@H]3[C@@H](C(=O)C=C4C=CCC[C@@]43C)[C@@H]1CCC2=O ZINC000006067831 170173848 /nfs/dbraw/zinc/17/38/48/170173848.db2.gz VHDOTNMSJDQVEE-ZENYQMPMSA-N 0 0 284.399 3.863 50 30 CHEARN N#Cc1ccc(OCc2nc3ccccc3s2)cc1 ZINC000006128606 170178996 /nfs/dbraw/zinc/17/89/96/170178996.db2.gz OAYAMHDADRFZLD-UHFFFAOYSA-N 0 0 266.325 3.747 50 30 CHEARN O=C(O/N=C1/CCCc2occc21)c1ccc(Cl)cc1 ZINC000006221388 170183243 /nfs/dbraw/zinc/18/32/43/170183243.db2.gz AEJXAJVIZYDPLO-LGMDPLHJSA-N 0 0 289.718 3.830 50 30 CHEARN CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000006262380 170186347 /nfs/dbraw/zinc/18/63/47/170186347.db2.gz JCMYVRFQUCIIGI-HNNXBMFYSA-N 0 0 284.746 3.954 50 30 CHEARN C=CCSc1nnc(Nc2cccc(OC)c2)s1 ZINC000006650393 170222266 /nfs/dbraw/zinc/22/22/66/170222266.db2.gz HNMCUTASPBOZEB-UHFFFAOYSA-N 0 0 279.390 3.568 50 30 CHEARN C=CCOc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000006702660 170229843 /nfs/dbraw/zinc/22/98/43/170229843.db2.gz JNLAHFUKUBOZPW-UHFFFAOYSA-N 0 0 268.316 3.895 50 30 CHEARN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000006702432 170229944 /nfs/dbraw/zinc/22/99/44/170229944.db2.gz ZETOQMHGCLJOGX-QGZVFWFLSA-N 0 0 294.354 3.663 50 30 CHEARN Cc1ccc(/C=C2\Oc3cc(O)cc(C)c3C2=O)cc1 ZINC000006719672 170232026 /nfs/dbraw/zinc/23/20/26/170232026.db2.gz OOWXAFWFHQAXNZ-NVNXTCNLSA-N 0 0 266.296 3.625 50 30 biogenic CHEARN C=CCOc1ccc(NC(=O)c2ccccc2)cc1 ZINC000006746490 170239531 /nfs/dbraw/zinc/23/95/31/170239531.db2.gz UXYYSMPESQFIIP-UHFFFAOYSA-N 0 0 253.301 3.504 50 30 CHEARN O=C(/C=C\c1ccoc1)c1cccc(OC(F)F)c1 ZINC000006828881 170247384 /nfs/dbraw/zinc/24/73/84/170247384.db2.gz JKZABLNTWNKWGE-PLNGDYQASA-N 0 0 264.227 3.777 50 30 CHEARN Cc1c(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cnn1C ZINC000006921738 170255350 /nfs/dbraw/zinc/25/53/50/170255350.db2.gz CBEOJBBWGAMREQ-GQCTYLIASA-N 0 0 295.169 3.931 50 30 CHEARN O=C(C=C1SCCS1)[C@H]1C[C@H]1c1ccccc1 ZINC000006940015 170256955 /nfs/dbraw/zinc/25/69/55/170256955.db2.gz ATBHEAOJSAPPEO-RYUDHWBXSA-N 0 0 262.399 3.681 50 30 CHEARN O=C(/C=C/c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000007036541 170263121 /nfs/dbraw/zinc/26/31/21/170263121.db2.gz HCIHGBQVFALYSG-CMDGGOBGSA-N 0 0 271.247 3.630 50 30 aggregator CHEARN N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(Cl)cc1 ZINC000007238993 170273255 /nfs/dbraw/zinc/27/32/55/170273255.db2.gz DFRGSFKVQQQSIJ-UHFFFAOYSA-N 0 0 287.706 3.732 50 30 CHEARN N#Cc1cccc(NC(=O)CCC2CCCCC2)c1 ZINC000007265579 170275357 /nfs/dbraw/zinc/27/53/57/170275357.db2.gz WPLBWYSTJQYODB-UHFFFAOYSA-N 0 0 256.349 3.857 50 30 CHEARN CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1O ZINC000007741379 170300084 /nfs/dbraw/zinc/30/00/84/170300084.db2.gz ZVGMGPGVOARQOV-YCRREMRBSA-N 0 0 286.302 3.826 50 30 CHEARN CNc1nc(-c2cn(CCC#N)c3ccccc23)cs1 ZINC000007777468 170301831 /nfs/dbraw/zinc/30/18/31/170301831.db2.gz YZONWPGNOBWUDK-UHFFFAOYSA-N 0 0 282.372 3.720 50 30 CHEARN N#Cc1ccccc1OC(=O)c1ccc2c(c1)CCCC2 ZINC000007783935 170302714 /nfs/dbraw/zinc/30/27/14/170302714.db2.gz XFKCOMRJYBGCPY-UHFFFAOYSA-N 0 0 277.323 3.656 50 30 CHEARN CN(C)c1ccc(NC=CC(=O)c2ccc(F)cc2)cc1 ZINC000007991386 170312507 /nfs/dbraw/zinc/31/25/07/170312507.db2.gz VVEACGVMMHJALJ-VAWYXSNFSA-N 0 0 284.334 3.700 50 30 aggregator CHEARN Cc1sc2ncnc(Oc3ccc(C#N)cc3)c2c1C ZINC000008080681 170318364 /nfs/dbraw/zinc/31/83/64/170318364.db2.gz XNFVZIDJVAWLGM-UHFFFAOYSA-N 0 0 281.340 3.972 50 30 CHEARN C=C(C)c1nc(C#N)c(NCc2ccccc2Cl)o1 ZINC000008915511 170358912 /nfs/dbraw/zinc/35/89/12/170358912.db2.gz GHDAVCJPPXEBTL-UHFFFAOYSA-N 0 0 273.723 3.845 50 30 CHEARN Cc1sc(NC(=O)c2ccc(F)cc2F)c(C#N)c1C ZINC000009256823 170368961 /nfs/dbraw/zinc/36/89/61/170368961.db2.gz BWUITVCSHOUWIO-UHFFFAOYSA-N 0 0 292.310 3.767 50 30 CHEARN Cc1ccc2c(c1)/C(=N\c1cc(C)ccc1C)C(=O)N2 ZINC000009425977 170376457 /nfs/dbraw/zinc/37/64/57/170376457.db2.gz QRDNWYSQELCUND-UHFFFAOYSA-N 0 0 264.328 3.685 50 30 CHEARN N#C[C@H](Cc1ccccc1CO)c1nc2ccccc2s1 ZINC000009477659 170378022 /nfs/dbraw/zinc/37/80/22/170378022.db2.gz JFWGLGVWAHRTAB-AWEZNQCLSA-N 0 0 294.379 3.638 50 30 CHEARN CCCCCc1ccc(-c2ccc(/C(N)=N/O)cc2)nc1 ZINC000009554165 170381304 /nfs/dbraw/zinc/38/13/04/170381304.db2.gz RKBZGOWCGSEKOF-UHFFFAOYSA-N 0 0 283.375 3.576 50 30 CHEARN C=CCOc1ccccc1NC(=O)Nc1ccccc1 ZINC000009815080 170385933 /nfs/dbraw/zinc/38/59/33/170385933.db2.gz OLTAAMDQRAPAQI-UHFFFAOYSA-N 0 0 268.316 3.895 50 30 CHEARN N#Cc1ccsc1NC(=O)Cc1ccc2ccccc2c1 ZINC000010109418 170397546 /nfs/dbraw/zinc/39/75/46/170397546.db2.gz ZBUFQTSPLGTCSS-UHFFFAOYSA-N 0 0 292.363 3.954 50 30 CHEARN CCc1ccc(C(=O)/C=C/c2ccc(OC)c(O)c2)s1 ZINC000012762349 170508434 /nfs/dbraw/zinc/50/84/34/170508434.db2.gz LVNWHOOALOKVRZ-QPJJXVBHSA-N 0 0 288.368 3.921 50 30 CHEARN Cc1ccc(OCCC(=O)Nc2cccc(C#N)c2)cc1C ZINC000012926144 170520848 /nfs/dbraw/zinc/52/08/48/170520848.db2.gz JYHGOODLECVLNP-UHFFFAOYSA-N 0 0 294.354 3.583 50 30 CHEARN CCC[C@@H](NC(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000014903603 170648308 /nfs/dbraw/zinc/64/83/08/170648308.db2.gz QUPUEJDCSRXGAI-QGZVFWFLSA-N 0 0 278.355 3.829 50 30 CHEARN O=[N+]([O-])c1cccc(/C=N/c2nc3c(s2)CCCC3)c1 ZINC000018158300 170744402 /nfs/dbraw/zinc/74/44/02/170744402.db2.gz QQEZYGUUOOSGHV-OQLLNIDSSA-N 0 0 287.344 3.681 50 30 CHEARN NC(=O)c1ccccc1/N=C/c1ccc2ccccc2c1 ZINC000018164481 170744604 /nfs/dbraw/zinc/74/46/04/170744604.db2.gz FKWKKXVFFOONMY-UDWIEESQSA-N 0 0 274.323 3.689 50 30 CHEARN N#Cc1ccccc1NC(=O)c1ccccc1C(F)(F)F ZINC000019439910 170802090 /nfs/dbraw/zinc/80/20/90/170802090.db2.gz OUGANMQHMFNVLV-UHFFFAOYSA-N 0 0 290.244 3.829 50 30 CHEARN CN/N=C1\CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C ZINC000020275681 171132503 /nfs/dbraw/zinc/13/25/03/171132503.db2.gz SBVFQTNRIXLYNI-BEFIVDGFSA-N 0 0 298.430 3.824 50 30 CHEARN CC(C)c1nc(NC[C@H]2CCCO2)c(C#N)c2c1CCCC2 ZINC000020573193 171255674 /nfs/dbraw/zinc/25/56/74/171255674.db2.gz NYKADQLVJNYZNH-CYBMUJFWSA-N 0 0 299.418 3.546 50 30 CHEARN CN(Cc1c(F)cccc1Cl)C(=O)C1(C#N)CCCC1 ZINC000020962233 171282023 /nfs/dbraw/zinc/28/20/23/171282023.db2.gz XWUCJDCYFINEGE-UHFFFAOYSA-N 0 0 294.757 3.521 50 30 CHEARN COc1cc(C#N)ccc1OCc1cc(C)cc(C)c1 ZINC000022080750 171352616 /nfs/dbraw/zinc/35/26/16/171352616.db2.gz SMJRVZFYWYETPH-UHFFFAOYSA-N 0 0 267.328 3.763 50 30 CHEARN CC(C)CCC[C@@H](C)NC(=O)c1cccc(C#N)c1 ZINC000022512162 171389178 /nfs/dbraw/zinc/38/91/78/171389178.db2.gz ZUVVNCPREQYBHL-CYBMUJFWSA-N 0 0 258.365 3.503 50 30 CHEARN COc1cccc([C@H](C#N)[C@@H](C#N)c2ccccc2)c1OC ZINC000025758871 171465435 /nfs/dbraw/zinc/46/54/35/171465435.db2.gz YBHXSYSKNJRBNJ-HOTGVXAUSA-N 0 0 292.338 3.618 50 30 CHEARN N#Cc1nc(Cc2cccs2)oc1NCc1ccccc1 ZINC000035672368 172344038 /nfs/dbraw/zinc/34/40/38/172344038.db2.gz ZCRRVULEXHTHKP-UHFFFAOYSA-N 0 0 295.367 3.811 50 30 CHEARN CC(C)[C@@H]1CC[C@H](C)/C(=C/c2ccc(N)cc2)C1=O ZINC000036046707 172429834 /nfs/dbraw/zinc/42/98/34/172429834.db2.gz GTUBLXPYISHKLW-KPMDBQQJSA-N 0 0 257.377 3.923 50 30 CHEARN Cc1ccccc1[C@@H](C#N)C(=O)CCc1ccccc1 ZINC000037344240 173142832 /nfs/dbraw/zinc/14/28/32/173142832.db2.gz OMPAPUTUDHNMRD-QGZVFWFLSA-N 0 0 263.340 3.804 50 30 CHEARN O=C1/C(=C/c2ccc(-c3ccccc3)cc2)N2CCC1CC2 ZINC000038167553 174135308 /nfs/dbraw/zinc/13/53/08/174135308.db2.gz MNRTUFOKVZOHLS-RGEXLXHISA-N 0 0 289.378 3.989 50 30 CHEARN CC(=O)Nc1c(C#N)c(C)cn1-c1c(C)cc(C)cc1C ZINC000039083179 174163029 /nfs/dbraw/zinc/16/30/29/174163029.db2.gz PPOCZJRNUHOZQC-UHFFFAOYSA-N 0 0 281.359 3.541 50 30 CHEARN Cc1cc([C@H](C)NC(=O)c2cccc(C#N)c2)c(C)s1 ZINC000040074258 174186972 /nfs/dbraw/zinc/18/69/72/174186972.db2.gz RQBWDAYMXGSXNX-NSHDSACASA-N 0 0 284.384 3.728 50 30 CHEARN CN=C(Nc1ccccc1)SCc1ccccc1 ZINC000040545835 174324870 /nfs/dbraw/zinc/32/48/70/174324870.db2.gz AHLRNOMVSNGBLR-UHFFFAOYSA-N 0 0 256.374 3.827 50 30 CHEARN C=C(Br)CCc1ccccc1OCC ZINC000043208746 174983619 /nfs/dbraw/zinc/98/36/19/174983619.db2.gz BMOSNHFJABXGJR-UHFFFAOYSA-N 0 0 255.155 3.927 50 30 CHEARN CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccsc1 ZINC000071868021 176282558 /nfs/dbraw/zinc/28/25/58/176282558.db2.gz RIZJVGAYRHDNBD-UHFFFAOYSA-N 0 0 284.384 3.671 50 30 CHEARN CC(=O)Nc1cccc(CNc2ccc(C#N)c(Cl)c2)c1 ZINC000071894047 176291623 /nfs/dbraw/zinc/29/16/23/176291623.db2.gz ABRMMMMEQPFYPN-UHFFFAOYSA-N 0 0 299.761 3.782 50 30 CHEARN N#Cc1cccnc1NCCCc1nc2ccccc2s1 ZINC000073109567 176453132 /nfs/dbraw/zinc/45/31/32/176453132.db2.gz MMYNOFYBMKSCAX-UHFFFAOYSA-N 0 0 294.383 3.608 50 30 CHEARN CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(Cl)o1 ZINC000077379883 177260573 /nfs/dbraw/zinc/26/05/73/177260573.db2.gz IATOMCVXKNRVCK-UHFFFAOYSA-N 0 0 291.738 3.613 50 30 CHEARN CSC1(CNc2ccc(C#N)c(Cl)c2)CCOCC1 ZINC000078412454 177339489 /nfs/dbraw/zinc/33/94/89/177339489.db2.gz BORWDVDFNHVBFE-UHFFFAOYSA-N 0 0 296.823 3.536 50 30 CHEARN Cc1ccc([N+](=O)[O-])cc1/N=C/c1cccc([N+](=O)[O-])c1 ZINC000002842558 260010337 /nfs/dbraw/zinc/01/03/37/260010337.db2.gz XAPLJGILHAMKAX-OQLLNIDSSA-N 0 0 285.259 3.562 50 30 CHEARN Cc1ccc(C(=O)C=CNc2cccc([C@H](C)O)c2)cc1 ZINC000004663408 260015807 /nfs/dbraw/zinc/01/58/07/260015807.db2.gz NDTSRGVHXINSAE-VNDWYCCKSA-N 0 0 281.355 3.857 50 30 CHEARN O=C1ON=C(c2ccccc2)/C1=C\c1ccccc1Cl ZINC000005603702 260018797 /nfs/dbraw/zinc/01/87/97/260018797.db2.gz KXYHVEWSVRYSPE-JLHYYAGUSA-N 0 0 283.714 3.685 50 30 CHEARN CC(C)(C)OC(=O)NC1(CC=O)CCCCCCC1 ZINC000072481772 260276491 /nfs/dbraw/zinc/27/64/91/260276491.db2.gz YAJWXYSGOWTDJW-UHFFFAOYSA-N 0 0 269.385 3.583 50 30 CHEARN FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000095671276 260556718 /nfs/dbraw/zinc/55/67/18/260556718.db2.gz LGBGVSJBKFDYKH-UHFFFAOYSA-N 0 0 270.934 3.920 50 30 CHEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccccc3)S2)cc1 ZINC000016661706 326820952 /nfs/dbraw/zinc/82/09/52/326820952.db2.gz VVNCDVQAXGQGQY-PTNGSMBKSA-N 0 0 294.379 3.887 50 30 CHEARN CCOc1cc(/C=N/O)ccc1OCc1ccc(C)cc1 ZINC000013111888 326837444 /nfs/dbraw/zinc/83/74/44/326837444.db2.gz ORZXAVVYGYBRFH-WOJGMQOQSA-N 0 0 285.343 3.781 50 30 CHEARN C[C@H]1[C@H]2O[C@]23CC[C@@H](C3)C(C)(C)C(=O)[C@@H]2CCC[C@@H]21 ZINC000071786499 328754912 /nfs/dbraw/zinc/75/49/12/328754912.db2.gz GVDMNABDBKUREQ-WWKXKLIWSA-N 0 0 262.393 3.585 50 30 CHEARN C#Cc1cccc(NC(=O)/C=C/c2ccc(C)cc2C)c1 ZINC000023010221 328832696 /nfs/dbraw/zinc/83/26/96/328832696.db2.gz GAAMHSWBIRNQMJ-ZHACJKMWSA-N 0 0 275.351 3.937 50 30 CHEARN C[C@H](NC(=O)/C=C\c1ccc(C#N)cc1)c1cccs1 ZINC000096585403 534191377 /nfs/dbraw/zinc/19/13/77/534191377.db2.gz QAQHBFCXFMJSMR-LAUAKBEESA-N 0 0 282.368 3.510 50 30 CHEARN C1=C[C@H]2C[C@]3(O[C@@]34C[C@H]3C=C[C@H]5C=C[C@@H]4[C@H]53)[C@@H]3C=C[C@@H]1[C@@H]23 ZINC000257355393 517312809 /nfs/dbraw/zinc/31/28/09/517312809.db2.gz ALTBPBKUUKCVED-PCVXSKFWSA-N 0 0 276.379 3.510 50 30 CHEARN C=CCN(C(=O)c1ccc(Cl)c(C)c1)C(C)C ZINC000067654590 518738886 /nfs/dbraw/zinc/73/88/86/518738886.db2.gz QCINHJNQUKNVAR-UHFFFAOYSA-N 0 0 251.757 3.685 50 30 CHEARN CCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O ZINC000064857785 519985679 /nfs/dbraw/zinc/98/56/79/519985679.db2.gz BWHZLNSEWMAGNV-HNNXBMFYSA-N 0 0 297.439 3.729 50 30 in-vitro CHEARN CCCCN(CC#Cc1ccccc1)C(=O)c1ccoc1 ZINC000055242707 520440730 /nfs/dbraw/zinc/44/07/30/520440730.db2.gz IKKBXBIPJJDNMH-UHFFFAOYSA-N 0 0 281.355 3.574 50 30 CHEARN CCc1ccc(C(=O)N(CCC#N)c2ccc(C)cc2)o1 ZINC000069706639 523880797 /nfs/dbraw/zinc/88/07/97/523880797.db2.gz HIYYQIMSJQWIIF-UHFFFAOYSA-N 0 0 282.343 3.711 50 30 CHEARN C[C@@H](C1CC1)N(CCC#N)C(=O)c1ccc(F)cc1Cl ZINC000069520555 524322014 /nfs/dbraw/zinc/32/20/14/524322014.db2.gz NDBUUFRMBLHJRA-JTQLQIEISA-N 0 0 294.757 3.633 50 30 CHEARN COc1ccc(NC=CC(=O)c2ccc(C)cc2)cc1OC ZINC000100775312 524379034 /nfs/dbraw/zinc/37/90/34/524379034.db2.gz GULHGOXCEHVUAJ-KHPPLWFESA-N 0 0 297.354 3.821 50 30 CHEARN C[C@H]1C[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)CCO1 ZINC000274761542 524816282 /nfs/dbraw/zinc/81/62/82/524816282.db2.gz RQXLDPQGDLAXLE-ONGXEEELSA-N 0 0 284.281 3.556 50 30 CHEARN COc1cccc(C(=O)/C=C/c2ccc(OC)cc2OC)c1 ZINC000005073249 525780566 /nfs/dbraw/zinc/78/05/66/525780566.db2.gz XJCOZZGFVGJAQR-CSKARUKUSA-N 0 0 298.338 3.609 50 30 CHEARN C[C@H](Sc1ccccc1)C(=O)N(CC#N)c1ccccc1 ZINC000057994226 525991227 /nfs/dbraw/zinc/99/12/27/525991227.db2.gz IGHITDBMVNPZBX-AWEZNQCLSA-N 0 0 296.395 3.724 50 30 CHEARN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(C#N)c1 ZINC000012976033 526062418 /nfs/dbraw/zinc/06/24/18/526062418.db2.gz HIFYKERALODNTM-GFCCVEGCSA-N 0 0 282.318 3.531 50 30 CHEARN N#CCc1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000052514900 526487203 /nfs/dbraw/zinc/48/72/03/526487203.db2.gz HSJAFRHAAKLXGF-UHFFFAOYSA-N 0 0 285.656 3.611 50 30 CHEARN C=C(C)CS[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000096448037 526692479 /nfs/dbraw/zinc/69/24/79/526692479.db2.gz UUMJCMBJOLCXMS-GFCCVEGCSA-N 0 0 277.389 3.526 50 30 CHEARN C=C(Cl)COc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000004803698 526890749 /nfs/dbraw/zinc/89/07/49/526890749.db2.gz BILZKYVSVPZBNI-UHFFFAOYSA-N 0 0 290.746 3.803 50 30 CHEARN CCCC[C@H](NC(=O)c1ccccc1C#N)c1cccnc1 ZINC000222810992 528983722 /nfs/dbraw/zinc/98/37/22/528983722.db2.gz BJMACCQOGNSQCN-KRWDZBQOSA-N 0 0 293.370 3.615 50 30 CHEARN O=C1C=CC(=O)c2c1ccc1c3ccccc3ccc12 ZINC000002539285 560187580 /nfs/dbraw/zinc/18/75/80/560187580.db2.gz UORKIKBNUWJNJF-UHFFFAOYSA-N 0 0 258.276 3.928 50 30 in-vitro CHEARN CN1c2ccccc2C(C)(C)/C1=C\C=C1/C=CC=CC1=O ZINC000210915650 566829563 /nfs/dbraw/zinc/82/95/63/566829563.db2.gz ZJJDGZLNAPTSBE-FBRLRESOSA-N 0 0 277.367 3.919 50 30 CHEARN CC(C)(C)[C@H]1CCc2nc(Cl)c(C#N)c(C#N)c2C1 ZINC000015107863 566835031 /nfs/dbraw/zinc/83/50/31/566835031.db2.gz ICKXMWQXKDCZMB-VIFPVBQESA-N 0 0 273.767 3.629 50 30 CHEARN CCCCC(=O)Nc1oc(-c2ccccc2)cc1C#N ZINC000001774667 566842746 /nfs/dbraw/zinc/84/27/46/566842746.db2.gz CDXNNQXFOZBSKW-UHFFFAOYSA-N 0 0 268.316 3.947 50 30 CHEARN Cc1ccc2[nH]c(=O)c(/C=N/c3ccccc3)cc2c1 ZINC000001268134 566860368 /nfs/dbraw/zinc/86/03/68/566860368.db2.gz ZSINEJKSVHOLBF-WOJGMQOQSA-N 0 0 262.312 3.587 50 30 CHEARN Cc1snc(SCc2ccc(F)cc2)c1C#N ZINC000001399916 566870111 /nfs/dbraw/zinc/87/01/11/566870111.db2.gz FRBRFOBVGLKTMX-UHFFFAOYSA-N 0 0 264.350 3.755 50 30 CHEARN CC[C@H](C)O/N=C1/c2ccccc2N(c2ccccc2)C1=O ZINC000001403322 566871187 /nfs/dbraw/zinc/87/11/87/566871187.db2.gz XWWMPDGGYDPMQO-HDRCJFCASA-N 0 0 294.354 3.884 50 30 CHEARN N#Cc1ccc(/C=C2\CCOc3ccc(F)cc3C2=O)cc1 ZINC000012739913 566872569 /nfs/dbraw/zinc/87/25/69/566872569.db2.gz QGYIYIULWNCVPJ-NTEUORMPSA-N 0 0 293.297 3.746 50 30 CHEARN C=CCO[C@@H](C)C(=O)N[C@@H](c1cccs1)C1CCCC1 ZINC000058025755 566875316 /nfs/dbraw/zinc/87/53/16/566875316.db2.gz UZTNDAVBBFKLKP-SWLSCSKDSA-N 0 0 293.432 3.687 50 30 CHEARN C=CCSc1sc(C(=O)OCC)c2c1C(=O)CCC2 ZINC000004284552 566890335 /nfs/dbraw/zinc/89/03/35/566890335.db2.gz XJLCKTFJOYQKEL-UHFFFAOYSA-N 0 0 296.413 3.722 50 30 CHEARN C=CCc1ccc(Oc2ccc([N+](=O)[O-])cn2)c(OC)c1 ZINC000000092472 566897794 /nfs/dbraw/zinc/89/77/94/566897794.db2.gz NUGCHLUQUQERES-UHFFFAOYSA-N 0 0 286.287 3.519 50 30 CHEARN C=CCN1C(=O)/C(=C\c2ccc(C)cc2C)SC1=S ZINC000001188464 566899860 /nfs/dbraw/zinc/89/98/60/566899860.db2.gz DEJCDVMUBNMBHC-UKTHLTGXSA-N 0 0 289.425 3.691 50 30 CHEARN C=CCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002031272 566901287 /nfs/dbraw/zinc/90/12/87/566901287.db2.gz YBILIHDDKQSWFH-UHFFFAOYSA-N 0 0 288.350 3.818 50 30 CHEARN CCC(=O)c1ccc(N=Cc2ccc3c(c2)OCO3)cc1 ZINC000004775000 566912120 /nfs/dbraw/zinc/91/21/20/566912120.db2.gz ZAJYTGWYAXIJGE-VCHYOVAHSA-N 0 0 281.311 3.759 50 30 CHEARN COc1ccc(NC(=O)ON=C2CCCCC2)cc1 ZINC000004583123 566912174 /nfs/dbraw/zinc/91/21/74/566912174.db2.gz DBFZGUOIMSIJOB-UHFFFAOYSA-N 0 0 262.309 3.564 50 30 CHEARN N#Cc1ccc(-c2cnc(CNc3ccccc3)o2)cc1 ZINC000075147346 566935534 /nfs/dbraw/zinc/93/55/34/566935534.db2.gz KHRBPROVMVOMML-UHFFFAOYSA-N 0 0 275.311 3.825 50 30 CHEARN N#C[C@H](c1ccccc1O)N1CCCC[C@H]1c1cccnc1 ZINC000035946809 566982529 /nfs/dbraw/zinc/98/25/29/566982529.db2.gz IDQFGKVZIKXFRS-DLBZAZTESA-N 0 0 293.370 3.579 50 30 biogenic CHEARN N#Cc1cnc2cc(Br)ccc2c1Cl ZINC000016697139 566984651 /nfs/dbraw/zinc/98/46/51/566984651.db2.gz SIBDBTCUQDTNQN-UHFFFAOYSA-N 0 0 267.513 3.522 50 30 CHEARN CC1=NOC(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1 ZINC000013110916 566997135 /nfs/dbraw/zinc/99/71/35/566997135.db2.gz XFNPAIZZSYIWOY-JYRVWZFOSA-N 0 0 287.702 3.916 50 30 CHEARN Cc1cc(F)ccc1NC(=O)N[C@@H](CC#N)c1ccccc1 ZINC000170600036 567013942 /nfs/dbraw/zinc/01/39/42/567013942.db2.gz GZIYHAHLLOJWNB-INIZCTEOSA-N 0 0 297.333 3.911 50 30 CHEARN CC1CCC(=CC(=O)N[C@]2(C#N)CCC[C@@H](C)C2)CC1 ZINC000170629588 567015528 /nfs/dbraw/zinc/01/55/28/567015528.db2.gz CCXLDFWXFCXZPN-DTLKIFBZSA-N 0 0 274.408 3.712 50 30 CHEARN CC1CCC(=CC(=O)N[C@]2(C#N)CCC[C@H](C)C2)CC1 ZINC000170629586 567016205 /nfs/dbraw/zinc/01/62/05/567016205.db2.gz CCXLDFWXFCXZPN-XLGXCUCASA-N 0 0 274.408 3.712 50 30 CHEARN CC(C)(CCC#N)CNc1ccc(-c2csnn2)cc1 ZINC000089761652 567026061 /nfs/dbraw/zinc/02/60/61/567026061.db2.gz JRJCCQGKRKHBBH-UHFFFAOYSA-N 0 0 286.404 3.947 50 30 CHEARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000017024387 567033760 /nfs/dbraw/zinc/03/37/60/567033760.db2.gz SJRIIEVLCFGBBR-WTKPLQERSA-N 0 0 271.247 3.630 50 30 CHEARN C=CCNC(=S)Nc1ccc(-c2ccccc2)cc1 ZINC000002876469 567037436 /nfs/dbraw/zinc/03/74/36/567037436.db2.gz YLAIAWFYCMJSMZ-UHFFFAOYSA-N 0 0 268.385 3.826 50 30 CHEARN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(C#N)cc2)C1(C)C ZINC000027151133 567046526 /nfs/dbraw/zinc/04/65/26/567046526.db2.gz UOKKAUAYENYROU-LSDHHAIUSA-N 0 0 268.360 3.735 50 30 CHEARN Cc1nc(N=NC(C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000252460910 567051255 /nfs/dbraw/zinc/05/12/55/567051255.db2.gz JCBVBWQENIYFBM-UHFFFAOYSA-N 0 0 290.348 3.504 50 30 CHEARN Cc1ccc(N=Cc2cccnc2)cc1Br ZINC000252460912 567051019 /nfs/dbraw/zinc/05/10/19/567051019.db2.gz JDHXNLMIRPSVLI-UHFFFAOYSA-N 0 0 275.149 3.903 50 30 CHEARN COc1cccc(N=Cc2ccc(N(C)C)cc2)c1 ZINC000252462368 567051345 /nfs/dbraw/zinc/05/13/45/567051345.db2.gz RUMOKUKKDWIUJO-UHFFFAOYSA-N 0 0 254.333 3.512 50 30 CHEARN C[C@H]1CCCC(=NNC(=S)Nc2ccccc2)C1 ZINC000252462343 567051618 /nfs/dbraw/zinc/05/16/18/567051618.db2.gz RQRCEVNKLAYFPF-NSHDSACASA-N 0 0 261.394 3.539 50 30 CHEARN N#CCC1(C#N)CCC(OCc2ccccc2)CC1 ZINC000000401640 567055471 /nfs/dbraw/zinc/05/54/71/567055471.db2.gz HFPFLOSHMDHCDL-UHFFFAOYSA-N 0 0 254.333 3.569 50 30 CHEARN N#Cc1ccc(Sc2ncnc3cc(F)c(F)cc32)cc1 ZINC000170642783 567056404 /nfs/dbraw/zinc/05/64/04/567056404.db2.gz YSZVUZAPDPHPRG-UHFFFAOYSA-N 0 0 299.305 3.931 50 30 CHEARN CC(C)=C[C@@H]1[C@H](C(=O)O[C@H]2CCCC[C@@H]2C#N)C1(C)C ZINC000252515550 567063336 /nfs/dbraw/zinc/06/33/36/567063336.db2.gz LJIIAUDKMQFNMS-APIJFGDWSA-N 0 0 275.392 3.850 50 30 CHEARN COc1ccc(C(=NO)c2ccc(OCC(C)C)cc2)cc1 ZINC000252599400 567066180 /nfs/dbraw/zinc/06/61/80/567066180.db2.gz DILOAHKPMNSJEM-UHFFFAOYSA-N 0 0 299.370 3.957 50 30 CHEARN COC(=O)c1ccc(C=Nc2ccc3ncccc3c2)cc1 ZINC000252624136 567068270 /nfs/dbraw/zinc/06/82/70/567068270.db2.gz PHFSZHLIYFMOEX-UHFFFAOYSA-N 0 0 290.322 3.772 50 30 CHEARN N#CCCCN=Nc1ccc(OCc2ccccc2)cc1 ZINC000252639362 567072466 /nfs/dbraw/zinc/07/24/66/567072466.db2.gz YKCFPWZBONEVBP-UHFFFAOYSA-N 0 0 279.343 3.967 50 30 CHEARN CCCCCN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1 ZINC000002250560 567073503 /nfs/dbraw/zinc/07/35/03/567073503.db2.gz PLGWJKQSGBMILH-UHFFFAOYSA-N 0 0 293.366 3.895 50 30 CHEARN C[C@H]1C[C@@H]2[C@H]([C@@H]3CCC(=O)CCCC[C@H]4O[C@]413)C2(C)C ZINC000145082411 567093204 /nfs/dbraw/zinc/09/32/04/567093204.db2.gz WIYGIOGSRVGNNC-NWYYGDLCSA-N 0 0 276.420 3.976 50 30 CHEARN N#Cc1nc(-c2ccccc2Cl)oc1N1CCCCC1 ZINC000000551159 567106605 /nfs/dbraw/zinc/10/66/05/567106605.db2.gz CBHJFCCHQLICOT-UHFFFAOYSA-N 0 0 287.750 3.857 50 30 CHEARN CC(C)COc1ccc(/C(=N/O)c2ccccc2)cc1 ZINC000013114116 567116294 /nfs/dbraw/zinc/11/62/94/567116294.db2.gz LOZKEOXUVYADAV-ISLYRVAYSA-N 0 0 269.344 3.948 50 30 CHEARN CSCCC(=O)Nc1nc(-c2ccccc2)co1 ZINC000328590173 567120054 /nfs/dbraw/zinc/12/00/54/567120054.db2.gz FLOSPLQOEFWIHJ-UHFFFAOYSA-N 0 0 262.334 3.683 50 30 CHEARN CCCc1nc(N)c(C#N)c(-c2ccccc2OC)c1CC ZINC000019855568 567123604 /nfs/dbraw/zinc/12/36/04/567123604.db2.gz YQCWSPFYLARXNQ-UHFFFAOYSA-N 0 0 295.386 3.726 50 30 CHEARN C=CC[C@@H]1N(C(=O)CCc2ccccn2)CCCC1(C)C ZINC000278343126 567125868 /nfs/dbraw/zinc/12/58/68/567125868.db2.gz JEXKFYBUBZGVFG-INIZCTEOSA-N 0 0 286.419 3.608 50 30 CHEARN N#Cc1cccc(CSc2nc3ccccc3[nH]2)c1F ZINC000095455404 567133257 /nfs/dbraw/zinc/13/32/57/567133257.db2.gz WGFQDUVSDMSBRR-UHFFFAOYSA-N 0 0 283.331 3.866 50 30 CHEARN O=C1c2cccc(O)c2C/C1=C/c1csc(C2CC2)n1 ZINC000096291576 567141143 /nfs/dbraw/zinc/14/11/43/567141143.db2.gz YUFKFJNXGBDADI-POHAHGRESA-N 0 0 283.352 3.549 50 30 CHEARN N#CCCCOc1cccc(/C=C\C(=O)c2nccs2)c1 ZINC000096405637 567144245 /nfs/dbraw/zinc/14/42/45/567144245.db2.gz WWCLIDRJOHZFAV-SREVYHEPSA-N 0 0 298.367 3.722 50 30 CHEARN Cc1cc2ncn(CCOc3ccccc3C#N)c2cc1C ZINC000002881212 567151970 /nfs/dbraw/zinc/15/19/70/567151970.db2.gz YLSBXLPYFBSIBQ-UHFFFAOYSA-N 0 0 291.354 3.604 50 30 CHEARN Cc1cccc(C(=O)n2ccc3cc(C#N)ccc32)c1 ZINC000216961472 567157088 /nfs/dbraw/zinc/15/70/88/567157088.db2.gz OPUYKXVDVOLCFG-UHFFFAOYSA-N 0 0 260.296 3.510 50 30 CHEARN N#Cc1cccnc1SCc1ccccc1Cl ZINC000030822758 567172660 /nfs/dbraw/zinc/17/26/60/567172660.db2.gz VZHJLHWVNIVRQA-UHFFFAOYSA-N 0 0 260.749 3.899 50 30 CHEARN C[C@@H](NC(=NC1CC1)c1ccco1)c1ccccc1 ZINC000071843632 567206933 /nfs/dbraw/zinc/20/69/33/567206933.db2.gz RQBGSHAFPPTPDS-GFCCVEGCSA-N 0 0 254.333 3.539 50 30 CHEARN CC[C@H]1CSC(Nc2ccc(C)c(Cl)c2)=N1 ZINC000000071813 567817535 /nfs/dbraw/zinc/81/75/35/567817535.db2.gz WUWAYPGYKSVNJG-VIFPVBQESA-N 0 0 254.786 3.751 50 30 CHEARN CC[C@@H]1CSC(Nc2ccc(C)c(Cl)c2)=N1 ZINC000000071818 567817652 /nfs/dbraw/zinc/81/76/52/567817652.db2.gz WUWAYPGYKSVNJG-SECBINFHSA-N 0 0 254.786 3.751 50 30 CHEARN CCN(CC)c1ccc(/C=N/c2ccccc2C#N)c(O)c1 ZINC000000095831 567818008 /nfs/dbraw/zinc/81/80/08/567818008.db2.gz GHOSKFQKLYSZBK-DEDYPNTBSA-N 0 0 293.370 3.861 50 30 CHEARN Cc1[nH]c2ccccc2c1CCNC1=CC(=O)CC(C)(C)C1 ZINC000000105968 567818381 /nfs/dbraw/zinc/81/83/81/567818381.db2.gz OSXYNJZDLOHJLS-UHFFFAOYSA-N 0 0 296.414 3.881 50 30 CHEARN O=C1c2ccccc2C(=O)C1=Cc1cccn1-c1ccccc1 ZINC000000119325 567818813 /nfs/dbraw/zinc/81/88/13/567818813.db2.gz GOMJZFRPZZCHDO-UHFFFAOYSA-N 0 0 299.329 3.940 50 30 CHEARN CCN(CC)c1ccc(/C=N/c2cccc(C#N)c2)c(O)c1 ZINC000000125261 567819205 /nfs/dbraw/zinc/81/92/05/567819205.db2.gz ZFQMPLQNASJRAS-DEDYPNTBSA-N 0 0 293.370 3.861 50 30 CHEARN CCOC(=O)c1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000131092 567819449 /nfs/dbraw/zinc/81/94/49/567819449.db2.gz KORWUMFBBFSQIV-GZTJUZNOSA-N 0 0 298.298 3.522 50 30 CHEARN CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)c(C)c2)cs1 ZINC000000140889 567819946 /nfs/dbraw/zinc/81/99/46/567819946.db2.gz YIKVGTYDWMYZDW-LLVKDONJSA-N 0 0 290.775 3.968 50 30 CHEARN Cc1cccc(OC2=C(Cl)C(=O)c3ccccc3C2=O)c1 ZINC000000161637 567820711 /nfs/dbraw/zinc/82/07/11/567820711.db2.gz ASUKXNKOOZOQAY-UHFFFAOYSA-N 0 0 298.725 3.903 50 30 CHEARN Oc1ccc(Cl)cc1/C=N/c1ccc2c(c1)OCCO2 ZINC000000217873 567822672 /nfs/dbraw/zinc/82/26/72/567822672.db2.gz AHINMAVDDOJLGK-RQZCQDPDSA-N 0 0 289.718 3.567 50 30 CHEARN COc1ccc(C(=O)C[C@@H](C#N)c2ccc(OC)cc2)cc1 ZINC000000259291 567823134 /nfs/dbraw/zinc/82/31/34/567823134.db2.gz SOTWSEPIXMUMOY-HNNXBMFYSA-N 0 0 295.338 3.584 50 30 biogenic CHEARN O=C(Nc1ccc(Cl)cc1)O/N=C/c1ccccc1 ZINC000000289220 567823912 /nfs/dbraw/zinc/82/39/12/567823912.db2.gz UPBDWXPWRBCPAA-MHWRWJLKSA-N 0 0 274.707 3.923 50 30 CHEARN C[C@H](c1ccccc1)N1CCC(=O)C2=C1CCCC2 ZINC000000296754 567824292 /nfs/dbraw/zinc/82/42/92/567824292.db2.gz ZNQDXRWCJGAABK-CYBMUJFWSA-N 0 0 255.361 3.851 50 30 CHEARN CSC(=CC(=O)c1ccco1)[C@@H](C)C(=O)c1ccco1 ZINC000000344286 567825892 /nfs/dbraw/zinc/82/58/92/567825892.db2.gz CGSPMRHKGSMVIM-AHEVQNHNSA-N 0 0 290.340 3.821 50 30 CHEARN C[C@@](C#N)(Nc1ccc(Cl)cc1)c1cccnc1 ZINC000000344078 567825936 /nfs/dbraw/zinc/82/59/36/567825936.db2.gz YEOUXKVULIAPOZ-AWEZNQCLSA-N 0 0 257.724 3.586 50 30 CHEARN CC(C)Oc1ccccc1C=C1C(=O)c2ccccc2C1=O ZINC000000371655 567827718 /nfs/dbraw/zinc/82/77/18/567827718.db2.gz PFEZYMIDMXEHTB-UHFFFAOYSA-N 0 0 292.334 3.936 50 30 CHEARN Nc1ccccc1NC1=CC(=O)C[C@@H](c2ccc(F)cc2)C1 ZINC000000539370 567833216 /nfs/dbraw/zinc/83/32/16/567833216.db2.gz ZUEUKOHEJNYNSQ-ZDUSSCGKSA-N 0 0 296.345 3.850 50 30 CHEARN COc1cccc(/C=N/c2ccccc2Cl)c1O ZINC000000588036 567833945 /nfs/dbraw/zinc/83/39/45/567833945.db2.gz XXXYNKHGNYDKPN-CXUHLZMHSA-N 0 0 261.708 3.805 50 30 CHEARN O=C1C=C2c3ccccc3C[C@H]2[C@H](c2ccccc2)C1 ZINC000001017373 567835902 /nfs/dbraw/zinc/83/59/02/567835902.db2.gz RWUGLYBNPDTXKJ-ROUUACIJSA-N 0 0 260.336 3.999 50 30 CHEARN CC1=C(CC(=O)c2ccccc2)C(=O)c2ccccc2C1=O ZINC000001384957 567836843 /nfs/dbraw/zinc/83/68/43/567836843.db2.gz QKJWXHMJMZXPLX-UHFFFAOYSA-N 0 0 290.318 3.655 50 30 CHEARN Cn1cc([C@@H](CC=O)c2ccccc2)c2ccccc21 ZINC000002548265 567848141 /nfs/dbraw/zinc/84/81/41/567848141.db2.gz IAWAPDWVVBQEPB-HNNXBMFYSA-N 0 0 263.340 3.899 50 30 CHEARN COc1ccc2c(ccc3c2CC[C@@](C)(C#N)C3=O)c1 ZINC000003132351 567851806 /nfs/dbraw/zinc/85/18/06/567851806.db2.gz RFJHBKVTFIOPAK-KRWDZBQOSA-N 0 0 265.312 3.507 50 30 CHEARN N#C[C@@H]1C=Cc2ccccc2N1C(=O)/C=C/c1ccccc1 ZINC000003783815 567853560 /nfs/dbraw/zinc/85/35/60/567853560.db2.gz LEQAQLPUUAHOIR-RTGRKSDTSA-N 0 0 286.334 3.652 50 30 CHEARN COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1O ZINC000004252721 567856034 /nfs/dbraw/zinc/85/60/34/567856034.db2.gz DYKSORHKUYMVFH-JXMROGBWSA-N 0 0 288.730 3.950 50 30 CHEARN Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000004412208 567857244 /nfs/dbraw/zinc/85/72/44/567857244.db2.gz UZUVOVLKZVXKFS-OQLLNIDSSA-N 0 0 285.259 3.562 50 30 CHEARN Fc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000004610905 567858651 /nfs/dbraw/zinc/85/86/51/567858651.db2.gz BKGJCLRGSVEPEN-CXUHLZMHSA-N 0 0 271.320 3.881 50 30 CHEARN N#C[C@H]1CCCC(c2ccccc2)(c2ccccc2)C1=O ZINC000004826325 567859219 /nfs/dbraw/zinc/85/92/19/567859219.db2.gz GDLXKKRYQMSVOB-OAHLLOKOSA-N 0 0 275.351 3.865 50 30 CHEARN CC[C@@H](NCc1cc(C#N)ccc1F)c1c(C)noc1C ZINC000097374097 567859895 /nfs/dbraw/zinc/85/98/95/567859895.db2.gz ZYXZSEKYYHIYFQ-OAHLLOKOSA-N 0 0 287.338 3.543 50 30 CHEARN Cc1noc2c1[C@@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2 ZINC000013729922 567867569 /nfs/dbraw/zinc/86/75/69/567867569.db2.gz OISMJYDUZHNNSJ-OAHLLOKOSA-N 0 0 298.317 3.687 50 30 CHEARN C[C@@H](C#N)Sc1nc(-c2ccco2)nc2ccccc21 ZINC000014095273 567868285 /nfs/dbraw/zinc/86/82/85/567868285.db2.gz HCJKSVWHSHXBKJ-JTQLQIEISA-N 0 0 281.340 3.894 50 30 CHEARN C[C@H](Nc1nccc(C(F)(F)F)n1)c1ccc(C#N)cc1 ZINC000032923533 567873752 /nfs/dbraw/zinc/87/37/52/567873752.db2.gz FVHLOVXIWSVTTO-VIFPVBQESA-N 0 0 292.264 3.540 50 30 CHEARN O=C1c2ccccc2O/C1=C/c1ccc(Cl)cc1 ZINC000017221465 567875391 /nfs/dbraw/zinc/87/53/91/567875391.db2.gz JIWJNEVCSMZRGO-NTEUORMPSA-N 0 0 256.688 3.956 50 30 CHEARN C=CC(C)(C)[C@H]1Nc2ccccc2[C@H]1CCCCO ZINC000012381794 567881136 /nfs/dbraw/zinc/88/11/36/567881136.db2.gz CFWDENGKAQIHGO-ZBFHGGJFSA-N 0 0 259.393 3.939 50 30 CHEARN C[C@H](NC(=O)CCc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000072304549 567886347 /nfs/dbraw/zinc/88/63/47/567886347.db2.gz RYELGWSIESYSJN-ZDUSSCGKSA-N 0 0 296.345 3.507 50 30 CHEARN Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1N ZINC000034031112 567887133 /nfs/dbraw/zinc/88/71/33/567887133.db2.gz QVAUOEHPYOFAQA-UHFFFAOYSA-N 0 0 275.167 3.867 50 30 CHEARN CN(C)/C=C/C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000034220496 567887158 /nfs/dbraw/zinc/88/71/58/567887158.db2.gz NVNTWLKFIWLXKS-OUKQBFOZSA-N 0 0 281.355 3.524 50 30 CHEARN Cc1ccc(NC(=NN)c2ccc3ccccc3n2)c(C)c1 ZINC000006795660 567888201 /nfs/dbraw/zinc/88/82/01/567888201.db2.gz YYQKBDJEEMKRMK-UHFFFAOYSA-N 0 0 290.370 3.584 50 30 CHEARN Cc1nc2c(cc1C(=O)/C=C/c1ccco1)CCCC2 ZINC000004020234 567888215 /nfs/dbraw/zinc/88/82/15/567888215.db2.gz RTPMJGDZEFUGOE-CMDGGOBGSA-N 0 0 267.328 3.758 50 30 CHEARN CC[C@@H](NC(C)=O)c1cccc(Br)c1 ZINC000004957767 567888423 /nfs/dbraw/zinc/88/84/23/567888423.db2.gz NYGSOGIHDAMKOB-LLVKDONJSA-N 0 0 256.143 3.877 50 30 CHEARN CCOc1cccc(/C=C/C(=O)c2cccc(OC)c2)c1O ZINC000072332970 567895344 /nfs/dbraw/zinc/89/53/44/567895344.db2.gz KUPWHRIQRVTIGC-ZHACJKMWSA-N 0 0 298.338 3.696 50 30 CHEARN N#CCN(C(=O)c1sc2ccccc2c1Cl)C1CC1 ZINC000058306111 567896096 /nfs/dbraw/zinc/89/60/96/567896096.db2.gz PXMYOSSMSQOLMA-UHFFFAOYSA-N 0 0 290.775 3.683 50 30 CHEARN C#Cc1cccc(NC(=O)/C=C\c2cc(C)ccc2OC)c1 ZINC000096405011 567896663 /nfs/dbraw/zinc/89/66/63/567896663.db2.gz AIZUWEOQJWFIIO-LUAWRHEFSA-N 0 0 291.350 3.637 50 30 CHEARN Cc1ccc(C(=O)CSc2nc(C)cc(C)c2C#N)cc1 ZINC000000050372 567905867 /nfs/dbraw/zinc/90/58/67/567905867.db2.gz DYBMSMVTKGRERX-UHFFFAOYSA-N 0 0 296.395 3.854 50 30 CHEARN Cc1ccc(-c2nc(C#N)c(N3CCC(C)CC3)o2)cc1 ZINC000000065762 567906618 /nfs/dbraw/zinc/90/66/18/567906618.db2.gz JLCUXRSBOSYBJY-UHFFFAOYSA-N 0 0 281.359 3.758 50 30 CHEARN O=C1C(Cl)=C(Cl)C(Cl)(Cl)C1(Cl)Cl ZINC000001673620 567907717 /nfs/dbraw/zinc/90/77/17/567907717.db2.gz QFIIFFRWCNYRLM-UHFFFAOYSA-N 0 0 288.772 3.606 50 30 CHEARN N#CCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000098063942 567911463 /nfs/dbraw/zinc/91/14/63/567911463.db2.gz XJEYWFBPBWRTDL-UHFFFAOYSA-N 0 0 266.325 3.730 50 30 CHEARN CCCCCCCCN1C(=O)c2cscc2C1=O ZINC000100070989 567912081 /nfs/dbraw/zinc/91/20/81/567912081.db2.gz QMNVUZQWXKLEFP-UHFFFAOYSA-N 0 0 265.378 3.705 50 30 CHEARN CCOc1cc(/C=N/O)ccc1OCc1ccc(F)cc1 ZINC000100888945 567914066 /nfs/dbraw/zinc/91/40/66/567914066.db2.gz QJRMVLSNYMICMY-VCHYOVAHSA-N 0 0 289.306 3.612 50 30 CHEARN CCOc1cc(/C=N/O)ccc1OCc1ccccc1F ZINC000100901028 567914130 /nfs/dbraw/zinc/91/41/30/567914130.db2.gz JPHGKLHUCUXNGO-VCHYOVAHSA-N 0 0 289.306 3.612 50 30 CHEARN CC(Nc1ccc(F)cc1)=C1C(=O)c2ccccc2C1=O ZINC000100937135 567914324 /nfs/dbraw/zinc/91/43/24/567914324.db2.gz OONBCIWASNVBDY-UHFFFAOYSA-N 0 0 281.286 3.591 50 30 CHEARN Cc1ccsc1-c1cc(-c2ccn(C)c2)nc(N)c1C#N ZINC000071767612 567914910 /nfs/dbraw/zinc/91/49/10/567914910.db2.gz CRGKZWNHDDINAK-UHFFFAOYSA-N 0 0 294.383 3.578 50 30 CHEARN CCCCCCCCCC(=O)O[C@H]1CCC[C@H](O)C1 ZINC000101455793 567914970 /nfs/dbraw/zinc/91/49/70/567914970.db2.gz QHRSZDRHNWFDMH-GJZGRUSLSA-N 0 0 270.413 3.974 50 30 CHEARN CC(C)NC(=C1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000102296510 567915219 /nfs/dbraw/zinc/91/52/19/567915219.db2.gz SDAWLZWFPMGYBB-LVZFUZTISA-N 0 0 291.350 3.580 50 30 CHEARN CCCCCCC[C@@H]1C[C@H](NC(C)=O)C[C@H](CC)O1 ZINC000102345410 567915305 /nfs/dbraw/zinc/91/53/05/567915305.db2.gz SCQZCDJIBDNFBX-OWCLPIDISA-N 0 0 269.429 3.809 50 30 CHEARN C=CCN(C(=O)c1nc(-c2ccco2)sc1C)C1CC1 ZINC000095459040 567915382 /nfs/dbraw/zinc/91/53/82/567915382.db2.gz MRFSTGXCHJUZCV-UHFFFAOYSA-N 0 0 288.372 3.502 50 30 CHEARN COc1ccc(N=NC2c3ccccc3N=C2C)cc1 ZINC000103771201 567915803 /nfs/dbraw/zinc/91/58/03/567915803.db2.gz MPXRUBDUAMECCD-MNDPQUGUSA-N 0 0 265.316 3.617 50 30 CHEARN CC(=O)C(Sc1nc2ccccc2s1)=C(C)O ZINC000000127851 567923565 /nfs/dbraw/zinc/92/35/65/567923565.db2.gz HCYOMIJSYRDYKD-YRNVUSSQSA-N 0 0 265.359 3.767 50 30 CHEARN CC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccccc1 ZINC000000140274 567923900 /nfs/dbraw/zinc/92/39/00/567923900.db2.gz DJZZJABZXHWXKR-MAUKXSAKSA-N 0 0 280.323 3.625 50 30 CHEARN Cc1sc(NC(=O)c2cccc(C)c2)c(C#N)c1C ZINC000000311673 567926878 /nfs/dbraw/zinc/92/68/78/567926878.db2.gz UJJRQWMMAZVYFW-UHFFFAOYSA-N 0 0 270.357 3.797 50 30 CHEARN COc1ccc(NC=C2Sc3ccccc3C2=O)cc1 ZINC000100363689 567927406 /nfs/dbraw/zinc/92/74/06/567927406.db2.gz DSVSPNGJUOCYSD-GDNBJRDFSA-N 0 0 283.352 3.937 50 30 CHEARN CCc1ccc([C@H](C#N)N(C)C(=O)CC2CCCC2)cc1 ZINC000408516981 567927543 /nfs/dbraw/zinc/92/75/43/567927543.db2.gz GPQVTYUZKZYRJI-KRWDZBQOSA-N 0 0 284.403 3.852 50 30 CHEARN C=CCNC(=O)[C@H](C)SCc1cccc2ccccc21 ZINC000069921488 567928546 /nfs/dbraw/zinc/92/85/46/567928546.db2.gz DPLMSILROZMLTE-ZDUSSCGKSA-N 0 0 285.412 3.764 50 30 CHEARN Clc1ccc(Cl)c(NC2=NCCCS2)c1 ZINC000005630979 567933057 /nfs/dbraw/zinc/93/30/57/567933057.db2.gz HYRZXGKZCYNDDQ-UHFFFAOYSA-N 0 0 261.177 3.707 50 30 CHEARN CN(C)c1ccc(C(=O)/C=C\c2ccccc2)cc1 ZINC000017312023 567935020 /nfs/dbraw/zinc/93/50/20/567935020.db2.gz SYXGMWCLRWOVJB-JYRVWZFOSA-N 0 0 251.329 3.649 50 30 CHEARN CSc1ccccc1C(=O)Nc1ccc(CC#N)cc1 ZINC000002877643 567937820 /nfs/dbraw/zinc/93/78/20/567937820.db2.gz OBHIVUCUKPTDKW-UHFFFAOYSA-N 0 0 282.368 3.727 50 30 CHEARN C=CCn1c2ccccc2nc1Cc1ccc(OC)cc1 ZINC000000572414 567943634 /nfs/dbraw/zinc/94/36/34/567943634.db2.gz LYRZXZDBLPIXAB-UHFFFAOYSA-N 0 0 278.355 3.822 50 30 CHEARN Cc1ccc(C)c(NC=CC(=O)c2ccc3c(c2)OCO3)c1 ZINC000044842404 567945958 /nfs/dbraw/zinc/94/59/58/567945958.db2.gz AGBLZIDPUXNXCQ-BQYQJAHWSA-N 0 0 295.338 3.841 50 30 CHEARN Cc1ccc(NC=CC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000044842340 567946050 /nfs/dbraw/zinc/94/60/50/567946050.db2.gz HBQTZPBRUPUWLD-CMDGGOBGSA-N 0 0 281.311 3.532 50 30 CHEARN CC(=O)Nc1cc(-c2ccc(C#N)s2)ccc1C ZINC000048953326 567946623 /nfs/dbraw/zinc/94/66/23/567946623.db2.gz YJNFGMOVXQPXOI-UHFFFAOYSA-N 0 0 256.330 3.554 50 30 CHEARN CCN(C[C@H](C)C#N)C(=O)c1cc2c(cccc2F)s1 ZINC000048951740 567946627 /nfs/dbraw/zinc/94/66/27/567946627.db2.gz NSPVQGCHZOWVQD-SNVBAGLBSA-N 0 0 290.363 3.662 50 30 CHEARN C=CCc1ccccc1OCCOc1ccc(OC)cc1 ZINC000002984801 567952498 /nfs/dbraw/zinc/95/24/98/567952498.db2.gz CXTZLAHLYQTEAN-UHFFFAOYSA-N 0 0 284.355 3.882 50 30 CHEARN C=Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1 ZINC000225387099 567953310 /nfs/dbraw/zinc/95/33/10/567953310.db2.gz ILUOSYUVVXDZFA-CQSZACIVSA-N 0 0 287.322 3.696 50 30 CHEARN CCCCO/C=C/C(=O)c1cccc(Br)c1 ZINC000096308290 567955153 /nfs/dbraw/zinc/95/51/53/567955153.db2.gz MMLSBXAJSOZHPX-VQHVLOKHSA-N 0 0 283.165 3.962 50 30 CHEARN N#Cc1cccnc1N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000032779307 570222629 /nfs/dbraw/zinc/22/26/29/570222629.db2.gz QIITUNPKLJUYBD-OAHLLOKOSA-N 0 0 283.762 3.948 50 30 CHEARN Clc1cnc(N=NC2Cc3ccccc3C2)c(Cl)c1 ZINC000004499639 570223032 /nfs/dbraw/zinc/22/30/32/570223032.db2.gz XPZNSVYOYGAXPX-UHFFFAOYSA-N 0 0 292.169 3.955 50 30 CHEARN Nc1ccc(C(=O)/C=C/c2c(F)cccc2Cl)cc1 ZINC000017007480 570226785 /nfs/dbraw/zinc/22/67/85/570226785.db2.gz PURZBRMGOAFYPK-CMDGGOBGSA-N 0 0 275.710 3.957 50 30 CHEARN COCc1cc(C)nc(SCc2ccccc2)c1C#N ZINC000000050711 570271221 /nfs/dbraw/zinc/27/12/21/570271221.db2.gz RYXCJWPKPQHCEB-UHFFFAOYSA-N 0 0 284.384 3.700 50 30 CHEARN N#Cc1c(NC(=O)Cc2ccccc2)sc2c1CCCC2 ZINC000000051357 570271304 /nfs/dbraw/zinc/27/13/04/570271304.db2.gz XAECXGNGYGUEJS-UHFFFAOYSA-N 0 0 296.395 3.680 50 30 CHEARN N#Cc1ccccc1NC(=O)c1snc(Cl)c1Cl ZINC000033963711 570274003 /nfs/dbraw/zinc/27/40/03/570274003.db2.gz WLPCAERCXQSYLQ-UHFFFAOYSA-N 0 0 298.154 3.574 50 30 in-vitro CHEARN COC(=O)c1c(C)[nH]c(/C=N/c2cccc(Cl)c2)c1C ZINC000000494531 570282701 /nfs/dbraw/zinc/28/27/01/570282701.db2.gz RWKJOMMVXKUQBE-CAOOACKPSA-N 0 0 290.750 3.822 50 30 CHEARN COC(=O)c1c(C)[nH]c(/C=N/c2ccc(Cl)cc2)c1C ZINC000000495015 570283116 /nfs/dbraw/zinc/28/31/16/570283116.db2.gz LBTHGODCSOKUNO-CAOOACKPSA-N 0 0 290.750 3.822 50 30 CHEARN COc1ccccc1[C@]1(CC#N)CCO[C@@H](C(C)C)C1 ZINC000000520600 570285780 /nfs/dbraw/zinc/28/57/80/570285780.db2.gz PPMCNHHTASMGPG-IAGOWNOFSA-N 0 0 273.376 3.682 50 30 CHEARN COc1c(Cl)cccc1NCc1ccccc1C#N ZINC000049066515 570299919 /nfs/dbraw/zinc/29/99/19/570299919.db2.gz PPGCQCVTCFPKQE-UHFFFAOYSA-N 0 0 272.735 3.832 50 30 CHEARN C[C@H](Cc1ccccc1Cl)Nc1ccc(C#N)cn1 ZINC000049320920 570300381 /nfs/dbraw/zinc/30/03/81/570300381.db2.gz LXHFBCIZGTZDHH-LLVKDONJSA-N 0 0 271.751 3.650 50 30 CHEARN Oc1ccc(/N=C/c2cccn2-c2ccccc2)cc1 ZINC000001096905 570301663 /nfs/dbraw/zinc/30/16/63/570301663.db2.gz RLEBPQLNDHVIPN-QGOAFFKASA-N 0 0 262.312 3.934 50 30 CHEARN O=C(/C=C\c1ccccc1)c1cc2ccccc2oc1=O ZINC000033368629 570311922 /nfs/dbraw/zinc/31/19/22/570311922.db2.gz VDRABZCZJGJDSC-KHPPLWFESA-N 0 0 276.291 3.689 50 30 CHEARN C=CCNC(=S)Nc1ccccc1Oc1ccccc1 ZINC000002996520 570315071 /nfs/dbraw/zinc/31/50/71/570315071.db2.gz WPLMTJBQNPKMFY-UHFFFAOYSA-N 0 0 284.384 3.951 50 30 CHEARN N#CCSc1nc2c(c([C@@H]3CC=CCC3)c1C#N)CCC2 ZINC000003894104 570328826 /nfs/dbraw/zinc/32/88/26/570328826.db2.gz SWACGRXYUNHHOO-GFCCVEGCSA-N 0 0 295.411 3.881 50 30 CHEARN CCc1ccc([C@@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001422974 570335477 /nfs/dbraw/zinc/33/54/77/570335477.db2.gz SCHZGPWGOPCHMB-AWEZNQCLSA-N 0 0 298.382 3.923 50 30 CHEARN C#CCn1cnc(-c2ccccc2)c1-c1ccsc1 ZINC000065381478 570335780 /nfs/dbraw/zinc/33/57/80/570335780.db2.gz QEQYRIJCQYVYMC-UHFFFAOYSA-N 0 0 264.353 3.912 50 30 CHEARN C=C(CC(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000215980612 570338430 /nfs/dbraw/zinc/33/84/30/570338430.db2.gz IBXYTPKOWMFSGP-UHFFFAOYSA-N 0 0 297.198 3.613 50 30 CHEARN C=CCN1C(=O)S/C(=C/c2ccc(Cl)s2)C1=O ZINC000012343715 570339768 /nfs/dbraw/zinc/33/97/68/570339768.db2.gz SJTNSTJPJCENIP-SOFGYWHQSA-N 0 0 285.777 3.624 50 30 CHEARN CSc1c(Cl)cccc1NC(=O)N(C)[C@H](C)CC#N ZINC000086300213 570341322 /nfs/dbraw/zinc/34/13/22/570341322.db2.gz YDWDVDHSXJNNDS-SECBINFHSA-N 0 0 297.811 3.828 50 30 CHEARN C#C[C@@](O)(c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000034579241 570347385 /nfs/dbraw/zinc/34/73/85/570347385.db2.gz AIBIEAJBGHJQJF-HXUWFJFHSA-N 0 0 291.394 3.546 50 30 CHEARN CC(=O)c1nn(-c2cccc(C)c2)c(-c2ccco2)c1C#N ZINC000006217466 570349721 /nfs/dbraw/zinc/34/97/21/570349721.db2.gz XDFYBUALJDYKBQ-UHFFFAOYSA-N 0 0 291.310 3.515 50 30 CHEARN N#Cc1nc(/C=C/c2cccs2)oc1N1CCCCC1 ZINC000016768484 570368069 /nfs/dbraw/zinc/36/80/69/570368069.db2.gz REUJAJPJVCWDNF-VOTSOKGWSA-N 0 0 285.372 3.768 50 30 CHEARN C=CCc1cccc(C=Nc2ccccc2C#N)c1O ZINC000252611565 570376151 /nfs/dbraw/zinc/37/61/51/570376151.db2.gz IKZCJJJVNNJQMK-UHFFFAOYSA-N 0 0 262.312 3.743 50 30 CHEARN COc1cc(SC)ccc1C(=O)Nc1ccccc1C#N ZINC000000030864 570386278 /nfs/dbraw/zinc/38/62/78/570386278.db2.gz CMDVTYHWTUVMPM-UHFFFAOYSA-N 0 0 298.367 3.541 50 30 CHEARN COCc1cc(C)nc(Nc2ccc(C)c(C)c2)c1C#N ZINC000000184204 570387168 /nfs/dbraw/zinc/38/71/68/570387168.db2.gz QPWQLYOFTYUMOE-UHFFFAOYSA-N 0 0 281.359 3.769 50 30 CHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccccc3)sc2C1 ZINC000000298265 570387526 /nfs/dbraw/zinc/38/75/26/570387526.db2.gz WXXGIUQWWHWEHL-LLVKDONJSA-N 0 0 296.395 3.997 50 30 CHEARN Cc1cccc(C)c1NC(=O)Oc1ccc(C#N)cc1 ZINC000000397323 570388198 /nfs/dbraw/zinc/38/81/98/570388198.db2.gz KQEIXNXWAQTYAE-UHFFFAOYSA-N 0 0 266.300 3.786 50 30 CHEARN C(=Nc1ccncc1)c1ccc2[nH]c(-c3ccncc3)nc2c1 ZINC000002366457 570391727 /nfs/dbraw/zinc/39/17/27/570391727.db2.gz YNLJKNJQCKXGID-UHFFFAOYSA-N 0 0 299.337 3.771 50 30 CHEARN Cc1cccc(C(=O)OCc2ccc(C#N)cc2)c1C ZINC000003452001 570399746 /nfs/dbraw/zinc/39/97/46/570399746.db2.gz DCFCESGSQZLISH-UHFFFAOYSA-N 0 0 265.312 3.532 50 30 CHEARN C=C[C@H](C(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000952994087 613481572 /nfs/dbraw/zinc/48/15/72/613481572.db2.gz PJJUPUMXKNIWQS-KBPBESRZSA-N 0 0 297.320 3.757 50 30 CHEARN CC(C)(C#N)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1 ZINC000025438766 1125589190 /nfs/dbraw/zinc/58/91/90/1125589190.db2.gz JGUFZHPSGUELLR-ZDUSSCGKSA-N 0 0 268.360 3.783 50 30 CHEARN C=C(C)Cn1cnc(-c2ccccc2)c1-c1c[nH]c(C)n1 ZINC000065381299 1125676998 /nfs/dbraw/zinc/67/69/98/1125676998.db2.gz KNKJKCXPDZXXSZ-UHFFFAOYSA-N 0 0 278.359 3.825 50 30 CHEARN COc1ccccc1NC=CC(=O)c1ccc(C)cc1 ZINC000138732864 1126722942 /nfs/dbraw/zinc/72/29/42/1126722942.db2.gz VYJSAMZYHJRUIM-QXMHVHEDSA-N 0 0 267.328 3.812 50 30 CHEARN CCN(C[C@H](C)C#N)C(=O)c1cc2ccccc2s1 ZINC000042296673 1127037953 /nfs/dbraw/zinc/03/79/53/1127037953.db2.gz OLKOSUVLIHVOQE-LLVKDONJSA-N 0 0 272.373 3.523 50 30 CHEARN CCN(Cc1ccccc1)c1ccc(C=NO)cc1 ZINC000254758931 1127151908 /nfs/dbraw/zinc/15/19/08/1127151908.db2.gz KEIIVQNUZAOBHX-UHFFFAOYSA-N 0 0 254.333 3.521 50 30 CHEARN CCOc1ccccc1/C=C1\Cc2c(cccc2O)C1=O ZINC000011335931 1127779386 /nfs/dbraw/zinc/77/93/86/1127779386.db2.gz WOAFEOWKXYUIBD-JLHYYAGUSA-N 0 0 280.323 3.613 50 30 CHEARN O=C1c2cccc(O)c2C/C1=C/c1ccccc1Cl ZINC000011335841 1127779390 /nfs/dbraw/zinc/77/93/90/1127779390.db2.gz QPELJVLXGRLPFO-FLIBITNWSA-N 0 0 270.715 3.868 50 30 CHEARN C[C@H]1C[C@@H]2[C@H]([C@@H]3CCC(=O)CCCC[C@@H]4O[C@]413)C2(C)C ZINC000034950588 1128245210 /nfs/dbraw/zinc/24/52/10/1128245210.db2.gz WIYGIOGSRVGNNC-LQEUCBJPSA-N 0 0 276.420 3.976 50 30 CHEARN O=C1c2ccccc2SC/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000033530444 1128542734 /nfs/dbraw/zinc/54/27/34/1128542734.db2.gz YNMNLYLGAHCVGP-WQLSENKSSA-N 0 0 297.335 3.967 50 30 CHEARN Cc1cccc2c1OCC(=Cc1c[nH]nc1C(C)(C)C)C2=O ZINC000063411668 1117858541 /nfs/dbraw/zinc/85/85/41/1117858541.db2.gz FWZXWAQKSJOCTI-JYRVWZFOSA-N 0 0 296.370 3.674 50 30 CHEARN Cc1ccc(/N=C/c2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000000531294 1120247240 /nfs/dbraw/zinc/24/72/40/1120247240.db2.gz VQTGWJLRQFGDOE-YBFXNURJSA-N 0 0 276.339 3.896 50 30 CHEARN N#Cc1ccc(C(=O)/C=C/c2c(F)cccc2F)cc1 ZINC000014198456 1120329050 /nfs/dbraw/zinc/32/90/50/1120329050.db2.gz IFUBKQIEBMBHHV-CMDGGOBGSA-N 0 0 269.250 3.733 50 30 CHEARN Cc1c2ccc3ccccc3c2oc1C(=O)O[C@@H](C)C#N ZINC000003432156 1121022077 /nfs/dbraw/zinc/02/20/77/1121022077.db2.gz RNTQLWRKHVRWQQ-JTQLQIEISA-N 0 0 279.295 3.963 50 30 CHEARN CC(C)(C)c1ncc(/C=C2\OCc3ccccc3C2=O)cn1 ZINC000888099320 1121085437 /nfs/dbraw/zinc/08/54/37/1121085437.db2.gz HFSKQLUHMZFNJB-NVNXTCNLSA-N 0 0 294.354 3.528 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2cncn2C(C)C)cc1[N+](=O)[O-] ZINC000864086110 1128976357 /nfs/dbraw/zinc/97/63/57/1128976357.db2.gz BMUZQWYSSLBQFH-VOTSOKGWSA-N 0 0 299.330 3.577 50 30 CHEARN CCc1nc2ccccc2n1N=C/C=C/c1ccco1 ZINC000606375865 1121666137 /nfs/dbraw/zinc/66/61/37/1121666137.db2.gz GUPAVCLCIAMGBJ-UQIMTBAFSA-N 0 0 265.316 3.739 50 30 CHEARN CSc1ccc(C#N)cc1NC(=O)c1ccccc1 ZINC000001383064 1123141219 /nfs/dbraw/zinc/14/12/19/1123141219.db2.gz AVPDGEICJHEPCP-UHFFFAOYSA-N 0 0 268.341 3.532 50 30 CHEARN C=C(C)C[C@H](C)C(=O)N1CCOc2ccccc2[C@@H]1C ZINC000585113959 1131299167 /nfs/dbraw/zinc/29/91/67/1131299167.db2.gz OZAACUUZXCABLF-KBPBESRZSA-N 0 0 273.376 3.571 50 30 CHEARN C=C(C)COc1cccc(N=S2(=O)CCCC2)c1 ZINC000585123046 1131312048 /nfs/dbraw/zinc/31/20/48/1131312048.db2.gz RRAZYHWDKZOMCE-UHFFFAOYSA-N 0 0 265.378 3.535 50 30 CHEARN COc1ccc(/C=C2/CCc3cc(O)ccc3C2=O)s1 ZINC000095418326 1129473041 /nfs/dbraw/zinc/47/30/41/1129473041.db2.gz WUJBOKYXHNZXBF-LUAWRHEFSA-N 0 0 286.352 3.675 50 30 CHEARN Cc1ccc(/C=C2/COc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000096767443 1129551330 /nfs/dbraw/zinc/55/13/30/1129551330.db2.gz AHJGCGXMWVRGRT-JYRVWZFOSA-N 0 0 295.294 3.562 50 30 CHEARN C=CCNC(=O)/C=C\c1ccc(-c2ccccc2F)s1 ZINC000098004660 1129637445 /nfs/dbraw/zinc/63/74/45/1129637445.db2.gz CPSXGCFDDQECGO-NTMALXAHSA-N 0 0 287.359 3.870 50 30 CHEARN O=C(/C=C\c1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000098008538 1129638296 /nfs/dbraw/zinc/63/82/96/1129638296.db2.gz CNWBJWVNKCIBFJ-DAXSKMNVSA-N 0 0 289.237 3.769 50 30 CHEARN Cc1n[nH]c(C)c1/C=C\C(=O)c1cccc(Cl)c1 ZINC000098008550 1129638351 /nfs/dbraw/zinc/63/83/51/1129638351.db2.gz HIBCKUWXVMNMAE-SREVYHEPSA-N 0 0 260.724 3.576 50 30 CHEARN Oc1ccc2oc3c(c2c1C=NN1CCCCC1)CCCC3 ZINC000254484154 1129696879 /nfs/dbraw/zinc/69/68/79/1129696879.db2.gz AHUHFXVHDXJDMX-UHFFFAOYSA-N 0 0 298.386 3.837 50 30 CHEARN CCCCc1[nH]nc2c1C(=NO)C[C@@H](c1ccccc1)C2 ZINC000254704536 1129705747 /nfs/dbraw/zinc/70/57/47/1129705747.db2.gz CISOEJCXHMYFBI-ZDUSSCGKSA-N 0 0 283.375 3.661 50 30 CHEARN O=C1CCCC2=C1[C@H](c1cccnc1)Nc1ccccc1N2 ZINC000000106612 1129722653 /nfs/dbraw/zinc/72/26/53/1129722653.db2.gz MSQMSFZBKHWHKW-SFHVURJKSA-N 0 0 291.354 3.667 50 30 CHEARN N#Cc1c(N)nc2c(c1-c1ccccc1)CCCCCC2 ZINC000019537299 1129845324 /nfs/dbraw/zinc/84/53/24/1129845324.db2.gz WEKAULJAXIBKRG-UHFFFAOYSA-N 0 0 277.371 3.861 50 30 CHEARN C#CCCC1(CCC(=O)N2CCCCc3ccccc32)N=N1 ZINC000952883100 1132016351 /nfs/dbraw/zinc/01/63/51/1132016351.db2.gz QSVQMPVSWDSJMJ-UHFFFAOYSA-N 0 0 295.386 3.712 50 30 CHEARN C#CCCC1(CCC(=O)N2CCC3(C2)CCCCC3)N=N1 ZINC000952882073 1132017265 /nfs/dbraw/zinc/01/72/65/1132017265.db2.gz LHEGIIZVGVOTJY-UHFFFAOYSA-N 0 0 287.407 3.525 50 30 CHEARN O=C(C=CNc1ccc(F)cc1F)c1cccs1 ZINC000001121866 230366700 /nfs/dbraw/zinc/36/67/00/230366700.db2.gz XZRBCJDNOUFWJB-AATRIKPKSA-N 0 0 265.284 3.835 50 30 CHEARN N#Cc1ccccc1CN1CCCC[C@@H]1c1nccs1 ZINC000195364671 230396392 /nfs/dbraw/zinc/39/63/92/230396392.db2.gz FBPXLYCRASJMIJ-OAHLLOKOSA-N 0 0 283.400 3.742 50 30 CHEARN FC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)F ZINC000095698073 185018028 /nfs/dbraw/zinc/01/80/28/185018028.db2.gz KHXKESCWFMPTFT-UHFFFAOYSA-N 0 0 266.034 3.829 50 30 CHEARN N#Cc1cccc(CNc2nnc(C3CCCCC3)o2)c1 ZINC000095990035 185057826 /nfs/dbraw/zinc/05/78/26/185057826.db2.gz INKWODMUTWLAQB-UHFFFAOYSA-N 0 0 282.347 3.601 50 30 CHEARN O=C1c2ccc(Cl)c(Cl)c2C/C1=C/c1csnn1 ZINC000096032927 185068117 /nfs/dbraw/zinc/06/81/17/185068117.db2.gz GOOHIFBLZHGSTI-UTCJRWHESA-N 0 0 297.166 3.667 50 30 CHEARN COC(=O)c1ccc(/C=C\C(=O)c2ccc(C)c(C)c2)cc1 ZINC000096766806 185112394 /nfs/dbraw/zinc/11/23/94/185112394.db2.gz KQIKSPXVMPPBKB-XFFZJAGNSA-N 0 0 294.350 3.986 50 30 CHEARN O=C1c2cc(F)ccc2OCC/C1=C/c1cccs1 ZINC000096988687 185146252 /nfs/dbraw/zinc/14/62/52/185146252.db2.gz XRYSGPFOJWQQGS-NTMALXAHSA-N 0 0 274.316 3.936 50 30 CHEARN N#C[C@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 ZINC000097546678 185626273 /nfs/dbraw/zinc/62/62/73/185626273.db2.gz KSVLNQGXTAJSJL-SNVBAGLBSA-N 0 0 269.175 3.729 50 30 CHEARN O=[N+]([O-])c1cccc(C=Nc2cccc(-c3c[nH]cn3)c2)c1 ZINC000085944402 179203674 /nfs/dbraw/zinc/20/36/74/179203674.db2.gz BYPTVYJBHMISDM-GIJQJNRQSA-N 0 0 292.298 3.736 50 30 CHEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CCC2N=N ZINC000105397062 186055747 /nfs/dbraw/zinc/05/57/47/186055747.db2.gz GWWXKVVUGDVQGO-STDWHXLASA-N 0 0 284.403 3.563 50 30 biogenic CHEARN COc1ccc(OCc2c(C#N)c3ccccc3n2C)cc1 ZINC000000049160 169517374 /nfs/dbraw/zinc/51/73/74/169517374.db2.gz FHGYKMCUTKXILM-UHFFFAOYSA-N 0 0 292.338 3.638 50 30 CHEARN Cc1ccc(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)c1 ZINC000000062731 169522861 /nfs/dbraw/zinc/52/28/61/169522861.db2.gz OZFHCCRPOFYAIT-CAOOACKPSA-N 0 0 298.298 3.691 50 30 CHEARN CC(C)(C)C(=O)Nc1oc(-c2ccccc2)cc1C#N ZINC000000144031 169552581 /nfs/dbraw/zinc/55/25/81/169552581.db2.gz YWZMVYMRNLTLQT-UHFFFAOYSA-N 0 0 268.316 3.803 50 30 CHEARN CCSc1ccc2nc(-c3ccc(C#N)cc3)cn2c1 ZINC000000337764 169610761 /nfs/dbraw/zinc/61/07/61/169610761.db2.gz HXFAJYJUUPIFCI-UHFFFAOYSA-N 0 0 279.368 3.985 50 30 CHEARN N#Cc1nc(Cc2ccccc2)oc1NCc1ccccc1 ZINC000000352176 169615001 /nfs/dbraw/zinc/61/50/01/169615001.db2.gz VWGWEZVXDNFTGB-UHFFFAOYSA-N 0 0 289.338 3.749 50 30 CHEARN CCOc1ccc(/C=N/c2ccccc2OC)cc1 ZINC000000361294 169617290 /nfs/dbraw/zinc/61/72/90/169617290.db2.gz IYLIQOMQPKEMJJ-SFQUDFHCSA-N 0 0 255.317 3.845 50 30 CHEARN N#Cc1ccc(OC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000396655 169629601 /nfs/dbraw/zinc/62/96/01/169629601.db2.gz KEZLKDIEYZFJJK-UHFFFAOYSA-N 0 0 272.691 3.823 50 30 CHEARN N#Cc1nc(-c2ccc(F)cc2)oc1NCc1ccco1 ZINC000000408752 169633023 /nfs/dbraw/zinc/63/30/23/169633023.db2.gz VVEZPFJZURCJQR-UHFFFAOYSA-N 0 0 283.262 3.557 50 30 CHEARN C[C@@H]1C[C@@H](C)CN(c2oc(-c3ccc(F)cc3)nc2C#N)C1 ZINC000000468156 169648603 /nfs/dbraw/zinc/64/86/03/169648603.db2.gz YNFGTUCWIRQEKB-VXGBXAGGSA-N 0 0 299.349 3.835 50 30 CHEARN Cc1ccccc1-c1nc(C#N)c(NCC(C)C)o1 ZINC000000467320 169648723 /nfs/dbraw/zinc/64/87/23/169648723.db2.gz OFODLLWEPDCYDL-UHFFFAOYSA-N 0 0 255.321 3.590 50 30 CHEARN CC(=O)Nc1nc(CC(C)C)cc(-c2ccccc2)c1C#N ZINC000000501962 169657763 /nfs/dbraw/zinc/65/77/63/169657763.db2.gz GEAZHAZRDISNGE-UHFFFAOYSA-N 0 0 293.370 3.777 50 30 CHEARN N#CCC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCC1 ZINC000375919941 256848309 /nfs/dbraw/zinc/84/83/09/256848309.db2.gz BGAGXMXPNZUEJB-CQSZACIVSA-N 0 0 296.292 3.576 50 30 CHEARN C=CCN(C(=O)NCCc1ccc(F)cc1)C1CCCC1 ZINC000040158487 256870550 /nfs/dbraw/zinc/87/05/50/256870550.db2.gz WNLHYLLEBPFMCR-UHFFFAOYSA-N 0 0 290.382 3.508 50 30 CHEARN CS/C(=N\C#N)NCc1ccc(-c2cccs2)s1 ZINC000004389911 256872509 /nfs/dbraw/zinc/87/25/09/256872509.db2.gz SGBMIXAXWXXQFK-UHFFFAOYSA-N 0 0 293.442 3.766 50 30 CHEARN Cc1ccc(N[C@@H](C)C(=O)Nc2sccc2C#N)cc1C ZINC000028906985 256875055 /nfs/dbraw/zinc/87/50/55/256875055.db2.gz CCFMBBFYZYTMTQ-LBPRGKRZSA-N 0 0 299.399 3.676 50 30 CHEARN C=CCn1c(-c2cccs2)nc2nc3ccccc3nc21 ZINC000000540482 169664902 /nfs/dbraw/zinc/66/49/02/169664902.db2.gz UEOYKIRCPGPQAP-UHFFFAOYSA-N 0 0 292.367 3.894 50 30 CHEARN O=C(O/N=C1\CCCc2ccccc21)c1ccc(F)cc1 ZINC000001404146 169703154 /nfs/dbraw/zinc/70/31/54/169703154.db2.gz DLGPJPAZWZLENV-KNTRCKAVSA-N 0 0 283.302 3.723 50 30 CHEARN CC1(C)CCCN(Cc2coc3ccccc23)[C@H]1C#N ZINC000225586825 130812709 /nfs/dbraw/zinc/81/27/09/130812709.db2.gz VYPQSVABLVHIDP-INIZCTEOSA-N 0 0 268.360 3.947 50 30 CHEARN CCOc1ccc(/N=C/c2cccc(OC)c2O)cc1 ZINC000002167617 169778391 /nfs/dbraw/zinc/77/83/91/169778391.db2.gz PXCSZAGGZYACSN-GZTJUZNOSA-N 0 0 271.316 3.550 50 30 CHEARN O=[N+]([O-])c1ccccc1/C=N/c1cccc(Cl)c1 ZINC000002171568 169779250 /nfs/dbraw/zinc/77/92/50/169779250.db2.gz XYUWLQMJJKCQHT-OQLLNIDSSA-N 0 0 260.680 3.999 50 30 CHEARN C=CCSc1nc2sc3c(c2c(N)n1)[C@@H](C)CCC3 ZINC000002292772 169784573 /nfs/dbraw/zinc/78/45/73/169784573.db2.gz HZJBLAAZTWOPDA-QMMMGPOBSA-N 0 0 291.445 3.991 50 30 CHEARN N#Cc1ccccc1C(=O)c1cccc(Br)c1 ZINC000002567540 169810479 /nfs/dbraw/zinc/81/04/79/169810479.db2.gz XFWDUJFMWPGAHQ-UHFFFAOYSA-N 0 0 286.128 3.552 50 30 CHEARN N#Cc1ccccc1OCCCCn1cnc2ccccc21 ZINC000002868518 169838911 /nfs/dbraw/zinc/83/89/11/169838911.db2.gz HZHPUKAVNFGRHF-UHFFFAOYSA-N 0 0 291.354 3.767 50 30 CHEARN Cc1ccc(/N=C/c2ccc([N+](=O)[O-])s2)cc1[N+](=O)[O-] ZINC000002895078 169842603 /nfs/dbraw/zinc/84/26/03/169842603.db2.gz PEMCMVVFFGNBJE-NTUHNPAUSA-N 0 0 291.288 3.624 50 30 CHEARN CCCCCCCCOc1ccc([C@@H]([NH3+])CC(=O)[O-])cc1 ZINC000003153720 169860820 /nfs/dbraw/zinc/86/08/20/169860820.db2.gz INDITZAUKPWKKM-INIZCTEOSA-N 0 0 293.407 3.900 50 30 CHEARN C=CCNc1nc(-c2cc(F)ccc2F)cs1 ZINC000003353010 169881843 /nfs/dbraw/zinc/88/18/43/169881843.db2.gz NGXGLDXFISGJBZ-UHFFFAOYSA-N 0 0 252.289 3.686 50 30 CHEARN N#Cc1ccccc1COC(=O)c1c(F)cccc1Cl ZINC000003433535 169887523 /nfs/dbraw/zinc/88/75/23/169887523.db2.gz GDOHMRXKDJIAGU-UHFFFAOYSA-N 0 0 289.693 3.708 50 30 CHEARN N#Cc1ccc(COC(=O)c2ccc(Cl)cc2)cc1 ZINC000003555959 169896812 /nfs/dbraw/zinc/89/68/12/169896812.db2.gz PBANQGSEGSOEPE-UHFFFAOYSA-N 0 0 271.703 3.569 50 30 CHEARN COc1ccc2c(c1)CCCC2N=Nc1nc(C)cs1 ZINC000004323927 169957738 /nfs/dbraw/zinc/95/77/38/169957738.db2.gz PJVWRJHZYKAFFD-SAPNQHFASA-N 0 0 287.388 3.613 50 30 CHEARN Cc1ccc([C@@H](O)C#CC23CC4CC(CC(C4)C2)C3)o1 ZINC000004380970 169963479 /nfs/dbraw/zinc/96/34/79/169963479.db2.gz HYODVVRRWSNWAS-KUNBBXKYSA-N 0 0 270.372 3.841 50 30 CHEARN CN1c2ccccc2SC1=CC(=O)Cc1ccccc1 ZINC000004482858 169971089 /nfs/dbraw/zinc/97/10/89/169971089.db2.gz DWUCLMDEFPBVRK-ATVHPVEESA-N 0 0 281.380 3.882 50 30 CHEARN Cc1cc(C)cc(Nc2cc(C#N)c(C#N)cc2[N+](=O)[O-])c1 ZINC000004629391 169991691 /nfs/dbraw/zinc/99/16/91/169991691.db2.gz NIQHTHYJVRYMFT-UHFFFAOYSA-N 0 0 292.298 3.699 50 30 CHEARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000004695040 170000482 /nfs/dbraw/zinc/00/04/82/170000482.db2.gz SFJWGZZCTJKFEE-XCVCLJGOSA-N 0 0 271.247 3.630 50 30 CHEARN N#Cc1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000004723631 170005896 /nfs/dbraw/zinc/00/58/96/170005896.db2.gz BUDVHSGVTPSBHF-UHFFFAOYSA-N 0 0 296.333 3.935 50 30 CHEARN CC1=NN([C@@H](C#N)c2c[nH]c3ccccc23)C(C)(C)C1 ZINC000004725083 170006123 /nfs/dbraw/zinc/00/61/23/170006123.db2.gz PNVLNPRFNAJQFZ-HNNXBMFYSA-N 0 0 266.348 3.593 50 30 CHEARN O=C1C=C(NCCc2ccccc2)C[C@H](c2ccccc2)C1 ZINC000004726005 170006841 /nfs/dbraw/zinc/00/68/41/170006841.db2.gz OHDWYTOTTMSSKP-SFHVURJKSA-N 0 0 291.394 3.849 50 30 CHEARN C=CCOc1ccc(NC(=O)c2cccs2)cc1 ZINC000004840121 170027322 /nfs/dbraw/zinc/02/73/22/170027322.db2.gz CHTFSTCCQPSESP-UHFFFAOYSA-N 0 0 259.330 3.565 50 30 CHEARN CCNc1oc(/C=C/c2ccc(OCC)cc2)nc1C#N ZINC000004840535 170027717 /nfs/dbraw/zinc/02/77/17/170027717.db2.gz IUHFNKCQRRGBOG-JXMROGBWSA-N 0 0 283.331 3.547 50 30 CHEARN CC(C)c1ccc(NC(=O)COc2ccccc2C#N)cc1 ZINC000004846991 170029334 /nfs/dbraw/zinc/02/93/34/170029334.db2.gz YQAYYPVLLXVUMP-UHFFFAOYSA-N 0 0 294.354 3.699 50 30 CHEARN C=CCSC1=N/C(=C\c2ccsc2)C(=O)S1 ZINC000004845378 170029423 /nfs/dbraw/zinc/02/94/23/170029423.db2.gz SZTGXTIRCQBOKL-TWGQIWQCSA-N 0 0 267.400 3.638 50 30 CHEARN C=CCSC1=N/C(=C\c2cccc(F)c2)C(=O)S1 ZINC000004845270 170029805 /nfs/dbraw/zinc/02/98/05/170029805.db2.gz PHWBBEQOBOSSDC-FLIBITNWSA-N 0 0 279.361 3.715 50 30 CHEARN CCc1ccccc1NC(=O)c1ccc(C#N)cc1F ZINC000004855542 170031033 /nfs/dbraw/zinc/03/10/33/170031033.db2.gz JRNBPVCOKOAGFS-UHFFFAOYSA-N 0 0 268.291 3.512 50 30 CHEARN COc1cccc(/C=C/c2nc(C#N)c(NCC(C)C)o2)c1 ZINC000004858163 170031581 /nfs/dbraw/zinc/03/15/81/170031581.db2.gz ODTXBYCYUFDWFS-BQYQJAHWSA-N 0 0 297.358 3.793 50 30 CHEARN CC1(C)CCC[C@@]2(O[C@H]2c2ccc(Cl)cc2)C1=O ZINC000004888967 170036578 /nfs/dbraw/zinc/03/65/78/170036578.db2.gz RZJRQXASOLXLIZ-WFASDCNBSA-N 0 0 264.752 3.929 50 30 CHEARN Cc1ccc(C(C)N=Nc2cc(Cl)nc(C)n2)cc1 ZINC000004947067 170044050 /nfs/dbraw/zinc/04/40/50/170044050.db2.gz XZFKRVGLDWMPEA-VCHYOVAHSA-N 0 0 274.755 3.583 50 30 CHEARN O=[N+]([O-])c1cccc(NN=Cc2c[nH]c3ccccc23)c1 ZINC000004947644 170044180 /nfs/dbraw/zinc/04/41/80/170044180.db2.gz NNAZNXKJPWOIAP-LICLKQGHSA-N 0 0 280.287 3.522 50 30 CHEARN COc1cccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)c1 ZINC000004996962 170052437 /nfs/dbraw/zinc/05/24/37/170052437.db2.gz BRUPFIAANJWNTN-VQHVLOKHSA-N 0 0 298.338 3.609 50 30 CHEARN COc1ccc(C(=O)C=CNc2ccc(C)cc2)cc1OC ZINC000005006834 170054433 /nfs/dbraw/zinc/05/44/33/170054433.db2.gz DXKDNISFROZHRU-ZHACJKMWSA-N 0 0 297.354 3.821 50 30 CHEARN Cc1ccccc1/N=C/c1cc2ccccc2[nH]c1=O ZINC000005054052 170061766 /nfs/dbraw/zinc/06/17/66/170061766.db2.gz PINYJYVEEBZXJT-WOJGMQOQSA-N 0 0 262.312 3.587 50 30 CHEARN CC(C)CNC1=CC(=O)C[C@@H](c2cccc(Cl)c2)C1 ZINC000005062152 170062695 /nfs/dbraw/zinc/06/26/95/170062695.db2.gz JWHDZSGBEPDVQI-ZDUSSCGKSA-N 0 0 277.795 3.916 50 30 CHEARN CCc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1 ZINC000005128120 170068889 /nfs/dbraw/zinc/06/88/89/170068889.db2.gz USTMMPDZIQRNHS-KPKJPENVSA-N 0 0 252.313 3.851 50 30 CHEARN O=C1c2ccccc2CC/C1=C\c1ccc2c(c1)OCCO2 ZINC000005128627 170069009 /nfs/dbraw/zinc/06/90/09/170069009.db2.gz MFFSJGXKVYPBGW-RVDMUPIBSA-N 0 0 292.334 3.670 50 30 CHEARN CC(C)c1ccccc1NC(=O)c1cccc(C#N)c1 ZINC000005672846 170126616 /nfs/dbraw/zinc/12/66/16/170126616.db2.gz ADHNNHNSOCLXNB-UHFFFAOYSA-N 0 0 264.328 3.934 50 30 CHEARN C=CCSc1nc2ccsc2c(N(CC)CC)n1 ZINC000005794799 170141200 /nfs/dbraw/zinc/14/12/00/170141200.db2.gz GLQGKBSYJAGVAW-UHFFFAOYSA-N 0 0 279.434 3.816 50 30 CHEARN CC(=CC(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 ZINC000005816497 170142956 /nfs/dbraw/zinc/14/29/56/170142956.db2.gz KZDZHQRIWIRTFE-DHZHZOJOSA-N 0 0 299.301 3.753 50 30 CHEARN COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1O ZINC000005839288 170146383 /nfs/dbraw/zinc/14/63/83/170146383.db2.gz PTQZPYCAVDTMQZ-RMKNXTFCSA-N 0 0 298.338 3.614 50 30 CHEARN Fc1ccccc1NN=Cc1cccn1-c1nccs1 ZINC000005898514 170152238 /nfs/dbraw/zinc/15/22/38/170152238.db2.gz SIVZEYKNDIWSNQ-LICLKQGHSA-N 0 0 286.335 3.519 50 30 CHEARN CN(C)/C=C/C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000006176739 170180828 /nfs/dbraw/zinc/18/08/28/170180828.db2.gz BBRPNJVXRXNSIN-VOTSOKGWSA-N 0 0 292.791 3.722 50 30 CHEARN O=C(/C=C/c1ccccc1Cl)c1ccc2c(c1)OCO2 ZINC000006340997 170194018 /nfs/dbraw/zinc/19/40/18/170194018.db2.gz XBJLMCUDSHIVPE-FNORWQNLSA-N 0 0 286.714 3.965 50 30 CHEARN C=CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000006697680 170226873 /nfs/dbraw/zinc/22/68/73/170226873.db2.gz DQOIXHPNMSCBIJ-UHFFFAOYSA-N 0 0 271.291 3.643 50 30 CHEARN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C#N ZINC000006698167 170227227 /nfs/dbraw/zinc/22/72/27/170227227.db2.gz QMXPZUCTNRGXIA-QGZVFWFLSA-N 0 0 294.354 3.663 50 30 CHEARN C=CCOc1ccc(NC(=O)COc2cccc(C)c2)cc1 ZINC000006746112 170238913 /nfs/dbraw/zinc/23/89/13/170238913.db2.gz HHLNJVKUYWREKT-UHFFFAOYSA-N 0 0 297.354 3.577 50 30 CHEARN c1ccc2c(c1)cnnc2N=NC1CCCCCC1 ZINC000006942732 170257616 /nfs/dbraw/zinc/25/76/16/170257616.db2.gz ORRDGAKAGKNECJ-UHFFFAOYSA-N 0 0 254.337 3.752 50 30 CHEARN Cc1cc(C)cc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000007240064 170273542 /nfs/dbraw/zinc/27/35/42/170273542.db2.gz DGRKAOWTZLSZEQ-CQSZACIVSA-N 0 0 293.370 3.614 50 30 CHEARN Nc1nc(-c2ccccc2)cn1/N=C/c1cccc(Cl)c1 ZINC000007674851 170297238 /nfs/dbraw/zinc/29/72/38/170297238.db2.gz QZQWFWDKBHHFIZ-VXLYETTFSA-N 0 0 296.761 3.668 50 30 CHEARN CN(CCC#N)c1ncnc2sc(-c3ccccc3)cc21 ZINC000008146734 170321624 /nfs/dbraw/zinc/32/16/24/170321624.db2.gz GOVXUIQZOBXPCM-UHFFFAOYSA-N 0 0 294.383 3.708 50 30 CHEARN CCn1c2ccccc2nc1SC[C@H](C#N)CCC#N ZINC000008164982 170322139 /nfs/dbraw/zinc/32/21/39/170322139.db2.gz DQWMEMYNYHFCSS-LBPRGKRZSA-N 0 0 284.388 3.592 50 30 CHEARN N#Cc1ccccc1COc1cccc2c1CCC[C@H]2O ZINC000008265290 170327458 /nfs/dbraw/zinc/32/74/58/170327458.db2.gz XPOBNTRUZQCGMP-QGZVFWFLSA-N 0 0 279.339 3.507 50 30 CHEARN Cc1cccc(NC(=S)Nc2ccccn2)c1C ZINC000008689996 170345754 /nfs/dbraw/zinc/34/57/54/170345754.db2.gz RJZBINCECOVLGV-UHFFFAOYSA-N 0 0 257.362 3.728 50 30 CHEARN N#Cc1ccc(/C=C/C(=O)Nc2cccc3ncccc32)cc1 ZINC000009478660 170377869 /nfs/dbraw/zinc/37/78/69/170377869.db2.gz XXSUVVJSXGMMJA-ZHACJKMWSA-N 0 0 299.333 3.758 50 30 CHEARN N#C[C@@H](Cc1ccccc1CO)c1nc2ccccc2s1 ZINC000009477660 170377874 /nfs/dbraw/zinc/37/78/74/170377874.db2.gz JFWGLGVWAHRTAB-CQSZACIVSA-N 0 0 294.379 3.638 50 30 CHEARN C=CCOc1ccccc1NC(=O)c1ccccc1OC ZINC000009815444 170385903 /nfs/dbraw/zinc/38/59/03/170385903.db2.gz BJPGDTSUCDAHKW-UHFFFAOYSA-N 0 0 283.327 3.512 50 30 CHEARN CCn1c(SCCC#N)nnc1-c1ccc(Cl)cc1 ZINC000009882271 170388381 /nfs/dbraw/zinc/38/83/81/170388381.db2.gz HBUMXZWGMGLQBB-UHFFFAOYSA-N 0 0 292.795 3.624 50 30 CHEARN C=C(C)COc1ccccc1C(=O)Nc1ccccc1O ZINC000009877536 170388483 /nfs/dbraw/zinc/38/84/83/170388483.db2.gz QANVPBDBNOTLOU-UHFFFAOYSA-N 0 0 283.327 3.599 50 30 CHEARN Cc1ccc(NC=C2C(=O)c3ccccc3C2=O)cc1C ZINC000010121457 170398227 /nfs/dbraw/zinc/39/82/27/170398227.db2.gz UIXUNRTZCDOUPF-UHFFFAOYSA-N 0 0 277.323 3.678 50 30 CHEARN CCCc1noc2c1/C(=N\O)C[C@@H](C[C@@H](C)SCC)C2 ZINC000013154762 170537500 /nfs/dbraw/zinc/53/75/00/170537500.db2.gz WVAQCLFHSSAAFE-ARXFZMKXSA-N 0 0 296.436 3.900 50 30 CHEARN Cc1cccc(NC(=S)NCc2cccs2)c1 ZINC000013522152 170558024 /nfs/dbraw/zinc/55/80/24/170558024.db2.gz PEWZEBAJUXAQDH-UHFFFAOYSA-N 0 0 262.403 3.954 50 30 CHEARN N#C[C@H](c1ccccc1O)N1CCCC[C@@H]1c1cccnc1 ZINC000020112723 170997774 /nfs/dbraw/zinc/99/77/74/170997774.db2.gz IDQFGKVZIKXFRS-IAGOWNOFSA-N 0 0 293.370 3.579 50 30 biogenic CHEARN CCN(Cc1ccccc1)Cc1ccccc1C#N ZINC000020307183 171142959 /nfs/dbraw/zinc/14/29/59/171142959.db2.gz LBHSHPZYBNEUCD-UHFFFAOYSA-N 0 0 250.345 3.580 50 30 CHEARN C=CCNc1ccc(-c2ccc(Br)cc2)nn1 ZINC000020730756 171271004 /nfs/dbraw/zinc/27/10/04/171271004.db2.gz YMBINCIKKLQBJG-UHFFFAOYSA-N 0 0 290.164 3.504 50 30 CHEARN C=C(C)Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)CC ZINC000021787070 171322509 /nfs/dbraw/zinc/32/25/09/171322509.db2.gz AKDCTWGIRWMUPT-MRXNPFEDSA-N 0 0 297.402 3.686 50 30 CHEARN N#Cc1cccnc1NCCNc1cccc2ccccc21 ZINC000022797205 171399449 /nfs/dbraw/zinc/39/94/49/171399449.db2.gz WCYBPVDKSGOYIL-UHFFFAOYSA-N 0 0 288.354 3.630 50 30 CHEARN O=C1c2c3cc(F)ccc3[nH]c2CC/C1=C\c1cccnc1 ZINC000026433432 171483651 /nfs/dbraw/zinc/48/36/51/171483651.db2.gz UPZKBUVZCCCRLP-XYOKQWHBSA-N 0 0 292.313 3.915 50 30 CHEARN O=C(/C=C\c1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000031494871 171639382 /nfs/dbraw/zinc/63/93/82/171639382.db2.gz OQSNPMDWFJMKLH-KMKOMSMNSA-N 0 0 258.704 3.942 50 30 CHEARN N#Cc1ccc(OCc2cc(F)cc3cccnc32)cc1 ZINC000031606617 171640649 /nfs/dbraw/zinc/64/06/49/171640649.db2.gz QVDLBOGNCZNLSP-UHFFFAOYSA-N 0 0 278.286 3.825 50 30 CHEARN O=C(/C=C\c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000031852518 171650498 /nfs/dbraw/zinc/65/04/98/171650498.db2.gz QZLINQZBUKTXIZ-FPLPWBNLSA-N 0 0 259.286 3.552 50 30 CHEARN C=CCOc1ccccc1C(=O)Nc1ccccc1 ZINC000034084471 171830692 /nfs/dbraw/zinc/83/06/92/171830692.db2.gz JOAYUDXDHNEXNN-UHFFFAOYSA-N 0 0 253.301 3.504 50 30 CHEARN O=C(/C=C1\C(=O)Nc2c1cccc2Cl)c1ccccc1 ZINC000035686352 172354519 /nfs/dbraw/zinc/35/45/19/172354519.db2.gz XIGQCXMWBQWTIG-XFXZXTDPSA-N 0 0 283.714 3.558 50 30 CHEARN C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(C#N)cc1 ZINC000036394729 172632264 /nfs/dbraw/zinc/63/22/64/172632264.db2.gz ACHXEKRYAUUYTA-GFCCVEGCSA-N 0 0 298.773 3.573 50 30 CHEARN Cc1ccccc1[C@H](C#N)C(=O)CCc1ccccc1 ZINC000037344242 173143466 /nfs/dbraw/zinc/14/34/66/173143466.db2.gz OMPAPUTUDHNMRD-KRWDZBQOSA-N 0 0 263.340 3.804 50 30 CHEARN CN(Cc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cn1 ZINC000040024814 174183929 /nfs/dbraw/zinc/18/39/29/174183929.db2.gz YSIATCYZDOZOQK-UHFFFAOYSA-N 0 0 291.276 3.608 50 30 CHEARN C=CCSc1ccccc1NC(=O)N[C@@H](C)CC ZINC000040104117 174191285 /nfs/dbraw/zinc/19/12/85/174191285.db2.gz MAEFWVMURVOOKM-NSHDSACASA-N 0 0 264.394 3.885 50 30 CHEARN N#Cc1ccc(OCCSc2ncccc2Cl)cc1 ZINC000043895842 175119050 /nfs/dbraw/zinc/11/90/50/175119050.db2.gz QNBTZWCXTRRAFG-UHFFFAOYSA-N 0 0 290.775 3.778 50 30 CHEARN O=C(/C=C/c1csnn1)c1ccc2ccccc2c1 ZINC000044013064 175138532 /nfs/dbraw/zinc/13/85/32/175138532.db2.gz IRRGDGVEPFRDGP-BQYQJAHWSA-N 0 0 266.325 3.587 50 30 CHEARN C=CCN(Cc1ccccc1C)C(=O)CCc1cccnc1 ZINC000055270768 175574741 /nfs/dbraw/zinc/57/47/41/175574741.db2.gz ZBVCMGAXDZUXNY-UHFFFAOYSA-N 0 0 294.398 3.537 50 30 CHEARN N#Cc1cccc(Nc2ncnc3ccc(Cl)cc32)c1 ZINC000057519765 175596915 /nfs/dbraw/zinc/59/69/15/175596915.db2.gz JXKHNHUAMFPLFO-UHFFFAOYSA-N 0 0 280.718 3.898 50 30 CHEARN O=C(c1ccc(Cl)cc1)[C@@H]1O[C@H]1C(Cl)(Cl)Cl ZINC000071771532 176262256 /nfs/dbraw/zinc/26/22/56/176262256.db2.gz YAIYJBDYMUOYEZ-DTWKUNHWSA-N 0 0 299.968 3.660 50 30 CHEARN Cc1cc(/C=C2\CCc3cc(O)ccc3C2=O)cc(C)c1O ZINC000072079827 176312963 /nfs/dbraw/zinc/31/29/63/176312963.db2.gz LBQWAUOFKALHPC-OQLLNIDSSA-N 0 0 294.350 3.927 50 30 CHEARN Cc1ccccc1N(C(=O)c1cccc(C#N)c1)C(C)C ZINC000078554854 177353884 /nfs/dbraw/zinc/35/38/84/177353884.db2.gz JTRVHEIBXJDZIS-UHFFFAOYSA-N 0 0 278.355 3.922 50 30 CHEARN CCc1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)o1 ZINC000078778718 177386967 /nfs/dbraw/zinc/38/69/67/177386967.db2.gz GHJHAONJXDJFIQ-UHFFFAOYSA-N 0 0 286.306 3.542 50 30 CHEARN CN(Cc1nc2ccccc2s1)Cc1ccc(C#N)cc1 ZINC000014158240 260078979 /nfs/dbraw/zinc/07/89/79/260078979.db2.gz CHGXWGYPRGUDLH-UHFFFAOYSA-N 0 0 293.395 3.800 50 30 CHEARN N#C[C@H](C(=O)CCc1cccc(Cl)c1)c1ccccn1 ZINC000041492090 260183742 /nfs/dbraw/zinc/18/37/42/260183742.db2.gz NEXWFDCMJYJWBC-AWEZNQCLSA-N 0 0 284.746 3.544 50 30 CHEARN N#Cc1cccc(C(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000029797035 326884365 /nfs/dbraw/zinc/88/43/65/326884365.db2.gz YDLFZUWQFWOSFN-AWEZNQCLSA-N 0 0 282.368 3.597 50 30 CHEARN N#Cc1ccc(N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000160640905 330870682 /nfs/dbraw/zinc/87/06/82/330870682.db2.gz VAUJMASMFMVLML-MSOLQXFVSA-N 0 0 278.355 3.890 50 30 CHEARN C=C(C)COc1ccc(C(=O)N2CCC[C@@H]2CC)cc1 ZINC000055211791 518613545 /nfs/dbraw/zinc/61/35/45/518613545.db2.gz QGYPNCVWHRPSGI-HNNXBMFYSA-N 0 0 273.376 3.656 50 30 CHEARN CCCCCCCCCCC[C@@H]1CC(=O)NC(=O)[C@H]1C#N ZINC000100721574 520017920 /nfs/dbraw/zinc/01/79/20/520017920.db2.gz GOWVTRFLZJNOFW-CABCVRRESA-N 0 0 292.423 3.710 50 30 CHEARN CCCCCCCOC(=O)c1ccc(NC(C)=O)cc1 ZINC000003155582 520061517 /nfs/dbraw/zinc/06/15/17/520061517.db2.gz UTPVLUBTIQRWEB-UHFFFAOYSA-N 0 0 277.364 3.772 50 30 CHEARN C[C@H](C1CC1)N(CCC#N)C(=O)c1ccc(F)cc1Cl ZINC000069520558 526206529 /nfs/dbraw/zinc/20/65/29/526206529.db2.gz NDBUUFRMBLHJRA-SNVBAGLBSA-N 0 0 294.757 3.633 50 30 CHEARN C=CCN(Cc1cccs1)C(=O)/C=C/c1ccccc1 ZINC000032722595 526365954 /nfs/dbraw/zinc/36/59/54/526365954.db2.gz MMOKOIXYVGOQII-ZHACJKMWSA-N 0 0 283.396 3.976 50 30 CHEARN N#CCOc1ccccc1/C=C1/Sc2ccccc2C1=O ZINC000002766361 526475777 /nfs/dbraw/zinc/47/57/77/526475777.db2.gz LWPQMDATJLNFRS-LFIBNONCSA-N 0 0 293.347 3.918 50 30 CHEARN O=[N+]([O-])c1cccc(C=Nc2cccc(Cl)c2)c1 ZINC000254798491 527384449 /nfs/dbraw/zinc/38/44/49/527384449.db2.gz OVBDZJKHSCHXBO-UHFFFAOYSA-N 0 0 260.680 3.999 50 30 CHEARN CN(C)/C=C/C(=O)c1ccc(-c2cccs2)s1 ZINC000000108194 567818372 /nfs/dbraw/zinc/81/83/72/567818372.db2.gz HGITUAHBNKMBGZ-BQYQJAHWSA-N 0 0 263.387 3.735 50 30 CHEARN C=CCC[C@@H](C)Nc1ccc(F)c(NC(C)=O)c1 ZINC000097375373 567860113 /nfs/dbraw/zinc/86/01/13/567860113.db2.gz NBPLANZDNKBJED-SNVBAGLBSA-N 0 0 250.317 3.551 50 30 CHEARN CCOc1ccc2nc(SCC)c(C#N)cc2c1 ZINC000000422071 567930618 /nfs/dbraw/zinc/93/06/18/567930618.db2.gz DAHMWTSHLSDYKR-UHFFFAOYSA-N 0 0 258.346 3.617 50 30 CHEARN CC(C)C(Cl)=NOC(=O)Nc1ccc(F)cc1 ZINC000073113832 566829657 /nfs/dbraw/zinc/82/96/57/566829657.db2.gz BPTQFEISWMIPEQ-XNTDXEJSSA-N 0 0 258.680 3.583 50 30 CHEARN Cc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccncc1 ZINC000034942090 566842706 /nfs/dbraw/zinc/84/27/06/566842706.db2.gz FBQVJXGHVWRXJY-UHFFFAOYSA-N 0 0 286.338 3.573 50 30 CHEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)C1CCCC1 ZINC000012537284 566847644 /nfs/dbraw/zinc/84/76/44/566847644.db2.gz RDIQGKOTIBAKTJ-UHFFFAOYSA-N 0 0 290.366 3.610 50 30 CHEARN COc1ccc(-c2c(C#N)c(N)nc(C)c2CC(C)C)cc1 ZINC000019805845 566862475 /nfs/dbraw/zinc/86/24/75/566862475.db2.gz MGHRDMZEUNRRTK-UHFFFAOYSA-N 0 0 295.386 3.718 50 30 CHEARN CC(C)n1cc(-c2ccc(Cl)cc2)cc(C#N)c1=O ZINC000001388557 566867309 /nfs/dbraw/zinc/86/73/09/566867309.db2.gz PFFXOTGDKFIWGN-UHFFFAOYSA-N 0 0 272.735 3.621 50 30 CHEARN C=CCN(Cc1ccccc1Cl)C(=O)CCCC(C)=O ZINC000055271550 566869677 /nfs/dbraw/zinc/86/96/77/566869677.db2.gz GJLZXIGVVBNAJG-UHFFFAOYSA-N 0 0 293.794 3.614 50 30 CHEARN N#Cc1ncc(C(F)(F)F)cc1-c1ccc(F)cc1 ZINC000047203963 566888944 /nfs/dbraw/zinc/88/89/44/566888944.db2.gz KRNCOVYVVTYUSW-UHFFFAOYSA-N 0 0 266.197 3.778 50 30 CHEARN C#Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000004088084 566889285 /nfs/dbraw/zinc/88/92/85/566889285.db2.gz WINJEOVJEONGEJ-UHFFFAOYSA-N 0 0 289.256 3.939 50 30 CHEARN N#Cc1ncc(-c2ccc(F)cc2)cc1C(F)(F)F ZINC000047203966 566890326 /nfs/dbraw/zinc/89/03/26/566890326.db2.gz IQCHNUMNVYZSHU-UHFFFAOYSA-N 0 0 266.197 3.778 50 30 CHEARN C=CC[C@H](c1ccco1)N(C(C)=O)c1ccccc1 ZINC000000209295 566899702 /nfs/dbraw/zinc/89/97/02/566899702.db2.gz NITWPDZQLDFHOR-OAHLLOKOSA-N 0 0 255.317 3.950 50 30 CHEARN COc1ccc(/N=C/c2ccc(N(C)C)cc2)c(C)c1 ZINC000002165307 566912301 /nfs/dbraw/zinc/91/23/01/566912301.db2.gz XTJIXFQGLCMKGN-LDADJPATSA-N 0 0 268.360 3.820 50 30 CHEARN C/C(=N\N)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000026780205 566914185 /nfs/dbraw/zinc/91/41/85/566914185.db2.gz ZQZLZBLVDCVEEE-VCHYOVAHSA-N 0 0 262.397 3.670 50 30 CHEARN CCOc1ccc(/N=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000100031446 566916876 /nfs/dbraw/zinc/91/68/76/566916876.db2.gz BDZUXIKCTQWRGF-LFIBNONCSA-N 0 0 270.288 3.744 50 30 CHEARN Fc1ccc(/C=N\CC/N=C\c2ccc(F)cc2)cc1 ZINC000100413646 566917758 /nfs/dbraw/zinc/91/77/58/566917758.db2.gz BUVGSMGTCXQKPR-YZLQMOBTSA-N 0 0 272.298 3.503 50 30 CHEARN Cc1cc(C#N)cc(C)c1OCCCC(C)(C)C#N ZINC000088154888 566927495 /nfs/dbraw/zinc/92/74/95/566927495.db2.gz PBCRCJXKBZBDHY-UHFFFAOYSA-N 0 0 256.349 3.884 50 30 CHEARN N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000012919156 566928123 /nfs/dbraw/zinc/92/81/23/566928123.db2.gz BDUBCXMIMGCPAD-CQSZACIVSA-N 0 0 297.383 3.989 50 30 CHEARN C=CCN1C(=O)c2ccccc2N[C@H]1c1sccc1C ZINC000023986644 566930975 /nfs/dbraw/zinc/93/09/75/566930975.db2.gz UAFMIQBCBUAPPN-OAHLLOKOSA-N 0 0 284.384 3.809 50 30 CHEARN C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)c2ccccc2)C1 ZINC000000112553 566945640 /nfs/dbraw/zinc/94/56/40/566945640.db2.gz YWFCZXRNYVBTRY-OAHLLOKOSA-N 0 0 268.360 3.705 50 30 CHEARN N#Cc1ccccc1CSc1nncc2ccccc21 ZINC000013011405 566957648 /nfs/dbraw/zinc/95/76/48/566957648.db2.gz ZSRQURQGZJRBIR-UHFFFAOYSA-N 0 0 277.352 3.794 50 30 CHEARN N#Cc1ccc(NC(=O)c2ccc(Cl)o2)cc1Cl ZINC000013012904 566957832 /nfs/dbraw/zinc/95/78/32/566957832.db2.gz XXTFYTVRFFQRST-UHFFFAOYSA-N 0 0 281.098 3.710 50 30 CHEARN CCC(=O)Nc1cccc(NCc2ccccc2C#N)c1C ZINC000026794732 566970438 /nfs/dbraw/zinc/97/04/38/566970438.db2.gz ZXDLVDDKVSSZRV-UHFFFAOYSA-N 0 0 293.370 3.827 50 30 CHEARN Cc1csc(SCCCOc2ccc(C#N)cc2)n1 ZINC000037143662 567012728 /nfs/dbraw/zinc/01/27/28/567012728.db2.gz OXPZIXYKTRJTAY-UHFFFAOYSA-N 0 0 290.413 3.884 50 30 CHEARN O=C(/C=C/c1nc2ccccc2[nH]1)c1cccc(F)c1 ZINC000076093191 567030119 /nfs/dbraw/zinc/03/01/19/567030119.db2.gz YYFLWTNETNTEHS-CMDGGOBGSA-N 0 0 266.275 3.598 50 30 CHEARN FC(F)(F)Oc1ccc(N=Cc2ccc[nH]2)cc1 ZINC000252462964 567052260 /nfs/dbraw/zinc/05/22/60/567052260.db2.gz XUIVQDHFMGMMRH-UHFFFAOYSA-N 0 0 254.211 3.664 50 30 CHEARN Cn1cc(C(Cc2ccccc2)=NO)c2ccccc21 ZINC000252461617 567052447 /nfs/dbraw/zinc/05/24/47/567052447.db2.gz NBBRBCNWJLUMIY-UHFFFAOYSA-N 0 0 264.328 3.599 50 30 CHEARN N#C[C@H]1CCC[C@H](Nc2ccc(SCCCO)cc2)C1 ZINC000252499618 567059854 /nfs/dbraw/zinc/05/98/54/567059854.db2.gz SCVMXRDKWAUQJV-ZFWWWQNUSA-N 0 0 290.432 3.655 50 30 CHEARN CCOc1ccc(C(C)N=Nc2nc(C)cs2)cc1 ZINC000252500059 567061440 /nfs/dbraw/zinc/06/14/40/567061440.db2.gz SMPYXQFECRTAND-LFIBNONCSA-N 0 0 275.377 3.686 50 30 CHEARN N#CC(=NNc1ccccc1Cl)C(=O)c1ccccc1 ZINC000252608856 567065461 /nfs/dbraw/zinc/06/54/61/567065461.db2.gz HODJHOPTLYTMCQ-UHFFFAOYSA-N 0 0 283.718 3.514 50 30 CHEARN C[C@](C#N)(Nc1ccc(Cl)cc1)c1ccncc1 ZINC000034398549 567088244 /nfs/dbraw/zinc/08/82/44/567088244.db2.gz XOAMWAGFVRSLTG-CQSZACIVSA-N 0 0 257.724 3.586 50 30 CHEARN N#Cc1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000000453120 567103358 /nfs/dbraw/zinc/10/33/58/567103358.db2.gz RIZQYZFKBQALDQ-UHFFFAOYSA-N 0 0 272.307 3.964 50 30 CHEARN Cc1ccc(C(=O)c2sc(NC(C)C)c(C#N)c2N)cc1 ZINC000065363051 567110830 /nfs/dbraw/zinc/11/08/30/567110830.db2.gz PEBYITGPNXMRHB-UHFFFAOYSA-N 0 0 299.399 3.562 50 30 CHEARN CN(Cc1ccccc1)/C(=N/O)c1cccc(Cl)c1 ZINC000013143518 567115495 /nfs/dbraw/zinc/11/54/95/567115495.db2.gz DEPBBQIBGDIDMB-BMRADRMJSA-N 0 0 274.751 3.608 50 30 CHEARN N#Cc1ccc(C(=O)CCc2cc(F)c(F)c(F)c2)cc1 ZINC000002517844 567120809 /nfs/dbraw/zinc/12/08/09/567120809.db2.gz HHVHAORYTUCZIN-UHFFFAOYSA-N 0 0 289.256 3.791 50 30 CHEARN Cc1cccc(CCC(=O)c2ccccc2C#N)c1C ZINC000002517426 567121109 /nfs/dbraw/zinc/12/11/09/567121109.db2.gz YUCFDCNTUFZNJM-UHFFFAOYSA-N 0 0 263.340 3.991 50 30 CHEARN CSc1nc(NC(C)C)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000019820649 567123627 /nfs/dbraw/zinc/12/36/27/567123627.db2.gz GGHZQPUUZXWKNM-UHFFFAOYSA-N 0 0 298.415 3.866 50 30 CHEARN CC#CC(=O)N[C@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000330032409 567125555 /nfs/dbraw/zinc/12/55/55/567125555.db2.gz MTGCIJFOEDAWBU-GOSISDBHSA-N 0 0 293.366 3.959 50 30 CHEARN C=CCCC(=O)N1CCCC[C@@H]1CSC(C)(C)C ZINC000390831977 567126865 /nfs/dbraw/zinc/12/68/65/567126865.db2.gz WKJLKBMXVOEILV-CYBMUJFWSA-N 0 0 269.454 3.865 50 30 CHEARN COCc1nc2cc(NCc3cc(C#N)cs3)ccc2o1 ZINC000080342552 567128595 /nfs/dbraw/zinc/12/85/95/567128595.db2.gz YPFJJCATZQTXLG-UHFFFAOYSA-N 0 0 299.355 3.519 50 30 CHEARN COc1cc2c(c(CNc3ccc(C#N)cc3)c1)O[C@H](C)C2 ZINC000095456992 567134067 /nfs/dbraw/zinc/13/40/67/567134067.db2.gz PEXUCCSAXIFIFM-GFCCVEGCSA-N 0 0 294.354 3.502 50 30 CHEARN C=CCOc1ccc2occ(C(=O)c3ccco3)c2c1 ZINC000096184065 567138047 /nfs/dbraw/zinc/13/80/47/567138047.db2.gz ZPWQYZIELXWPEI-UHFFFAOYSA-N 0 0 268.268 3.822 50 30 CHEARN CC(C)Oc1ccc(C/N=C/c2ccccc2O)cc1 ZINC000057411857 567156219 /nfs/dbraw/zinc/15/62/19/567156219.db2.gz YUKOJZKZDGZABM-LDADJPATSA-N 0 0 269.344 3.799 50 30 CHEARN CSc1ccc(NC(=O)c2ccccc2C)cc1C#N ZINC000003104720 567160754 /nfs/dbraw/zinc/16/07/54/567160754.db2.gz OLSJLMKCYTUUPW-UHFFFAOYSA-N 0 0 282.368 3.841 50 30 CHEARN Cc1c(C(=O)c2ccccc2)c2ccccn2c1CCC#N ZINC000003179390 567163366 /nfs/dbraw/zinc/16/33/66/567163366.db2.gz PPTRYKVKHTWEFI-UHFFFAOYSA-N 0 0 288.350 3.935 50 30 CHEARN Cc1c(Cl)cccc1NC(=O)c1cccc(C#N)c1 ZINC000003518714 567174972 /nfs/dbraw/zinc/17/49/72/567174972.db2.gz CKSIIYWAEXTCDZ-UHFFFAOYSA-N 0 0 270.719 3.772 50 30 CHEARN N#Cc1ccc(CSc2ncnc3sccc32)cc1 ZINC000003556123 567178538 /nfs/dbraw/zinc/17/85/38/567178538.db2.gz KZMBCLQNXFPYSN-UHFFFAOYSA-N 0 0 283.381 3.855 50 30 CHEARN C[C@@H]1C[C@H]1c1ccc(CN(c2ccc(C#N)cn2)C2CC2)o1 ZINC000042103228 567205238 /nfs/dbraw/zinc/20/52/38/567205238.db2.gz HSQLCJHPFQYRRD-MLGOLLRUSA-N 0 0 293.370 3.839 50 30 CHEARN C[C@H](NC(=NC1CC1)c1ccco1)c1ccccc1 ZINC000071843631 567206923 /nfs/dbraw/zinc/20/69/23/567206923.db2.gz RQBGSHAFPPTPDS-LBPRGKRZSA-N 0 0 254.333 3.539 50 30 CHEARN Oc1ccc(Br)cc1/C=N/Cc1ccccc1 ZINC000000046165 567816856 /nfs/dbraw/zinc/81/68/56/567816856.db2.gz SJEGBGIPJQOGGF-MHWRWJLKSA-N 0 0 290.160 3.774 50 30 CHEARN Cc1ccsc1/C=N/NC(=S)Nc1ccc(C)cc1 ZINC000000046123 567816921 /nfs/dbraw/zinc/81/69/21/567816921.db2.gz QPFWRWJKICSEMM-OQLLNIDSSA-N 0 0 289.429 3.685 50 30 CHEARN COc1ccc(/C=N/c2ccc(C)c(F)c2)cc1OC ZINC000000065515 567817402 /nfs/dbraw/zinc/81/74/02/567817402.db2.gz VLDFPRFNMXAPFF-VCHYOVAHSA-N 0 0 273.307 3.902 50 30 CHEARN O=C1c2ccccc2OC/C1=C\c1ccc(Cl)cc1 ZINC000000084791 567817859 /nfs/dbraw/zinc/81/78/59/567817859.db2.gz DCQYQJQFGBXYDD-FMIVXFBMSA-N 0 0 270.715 3.999 50 30 CHEARN C[C@H]1CC(C)(C)C[C@@]1(C#N)Nc1ccc(CC#N)cc1 ZINC000000094648 567818129 /nfs/dbraw/zinc/81/81/29/567818129.db2.gz OQSYYHSHARAGET-GUYCJALGSA-N 0 0 267.376 3.883 50 30 CHEARN CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)c(C)c2)cs1 ZINC000000140886 567819987 /nfs/dbraw/zinc/81/99/87/567819987.db2.gz YIKVGTYDWMYZDW-NSHDSACASA-N 0 0 290.775 3.968 50 30 CHEARN N#Cc1c2c(sc1/[NH+]=C/N1CCCC1)CCCCC2 ZINC000000180770 567821812 /nfs/dbraw/zinc/82/18/12/567821812.db2.gz AIXMVRYALUKSMI-GZTJUZNOSA-N 0 0 273.405 3.644 50 30 CHEARN C[C@]1(c2ccccc2)OC(=O)[C@H](C#N)C12CCCCC2 ZINC000000289522 567823910 /nfs/dbraw/zinc/82/39/10/567823910.db2.gz IBWRSXPLRFQYDT-GOEBONIOSA-N 0 0 269.344 3.549 50 30 CHEARN Cc1ccc(C(=O)/C=C/C(=O)c2ccc(C)cc2)cc1 ZINC000000455623 567831007 /nfs/dbraw/zinc/83/10/07/567831007.db2.gz XHTZEZLDTOKEGI-VAWYXSNFSA-N 0 0 264.324 3.925 50 30 CHEARN CSC1=N/C(=C\c2cc(C)ccc2C)C(=O)S1 ZINC000000458576 567831427 /nfs/dbraw/zinc/83/14/27/567831427.db2.gz GIQVLXAKTCGKLY-XFFZJAGNSA-N 0 0 263.387 3.637 50 30 CHEARN O=C1CCCC(=O)C1=CNc1cccc(Cl)c1Cl ZINC000001392690 567836912 /nfs/dbraw/zinc/83/69/12/567836912.db2.gz XRJKKAXCBDEGDE-UHFFFAOYSA-N 0 0 284.142 3.611 50 30 CHEARN N#Cc1cccc(/C=C2/CCc3ccccc3C2=O)c1 ZINC000001624876 567839811 /nfs/dbraw/zinc/83/98/11/567839811.db2.gz MQAZAYSOARYUKZ-WJDWOHSUSA-N 0 0 259.308 3.771 50 30 CHEARN N#CCCCCC(=O)c1ccc(C(F)(F)F)cc1 ZINC000002392919 567845785 /nfs/dbraw/zinc/84/57/85/567845785.db2.gz UEGQWUAFHTVABM-UHFFFAOYSA-N 0 0 255.239 3.972 50 30 CHEARN Cc1ccc([C@@]2(CC#N)CCO[C@@H](C(C)C)C2)cc1 ZINC000002867452 567849927 /nfs/dbraw/zinc/84/99/27/567849927.db2.gz ZVDWJYFFCODMKL-SJORKVTESA-N 0 0 257.377 3.982 50 30 CHEARN CO/C(=N\Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000004566412 567858033 /nfs/dbraw/zinc/85/80/33/567858033.db2.gz FMYWSIKFECHZDS-PFONDFGASA-N 0 0 288.328 3.695 50 30 CHEARN Cc1ccc(NC(=O)N(CCC#N)C(C)C)cc1Cl ZINC000042248757 567859469 /nfs/dbraw/zinc/85/94/69/567859469.db2.gz DKSDZSMDVNDUDL-UHFFFAOYSA-N 0 0 279.771 3.804 50 30 CHEARN C[C@H](C1CC1)N(CCC#N)Cc1ccc2ccccc2n1 ZINC000071914557 567860248 /nfs/dbraw/zinc/86/02/48/567860248.db2.gz GVVKGMHFAUXREJ-CQSZACIVSA-N 0 0 279.387 3.749 50 30 CHEARN Cc1c(Cl)cccc1/N=C1\C(=O)Nc2ccccc21 ZINC000012372444 567862911 /nfs/dbraw/zinc/86/29/11/567862911.db2.gz AOQBVDVVZNMLBZ-UHFFFAOYSA-N 0 0 270.719 3.721 50 30 CHEARN CCCCc1noc2c1/C(=N\O)C[C@@H](c1ccccc1)C2 ZINC000013116589 567864736 /nfs/dbraw/zinc/86/47/36/567864736.db2.gz DDYXNPSRXOROOT-ZLMULJHYSA-N 0 0 284.359 3.926 50 30 CHEARN Cc1ccc(NC(=O)O/N=C\c2ccc(N(C)C)cc2)cc1 ZINC000013113818 567864884 /nfs/dbraw/zinc/86/48/84/567864884.db2.gz WJHVYQRWALIBIG-PDGQHHTCSA-N 0 0 297.358 3.644 50 30 CHEARN Clc1ccccc1C=NN=c1[nH]c2ccccc2s1 ZINC000013756163 567867474 /nfs/dbraw/zinc/86/74/74/567867474.db2.gz VARDUVFBMGLZML-CXUHLZMHSA-N 0 0 287.775 3.818 50 30 CHEARN C[C@H]1CCC[C@H](C)N1/N=C/c1ccccc1Cl ZINC000004551621 567870053 /nfs/dbraw/zinc/87/00/53/567870053.db2.gz SGUIEVJNEOBDHX-ATARQRRYSA-N 0 0 250.773 3.937 50 30 CHEARN CC(=O)c1sc(N=NCc2ccccc2Cl)nc1C ZINC000015229539 567870539 /nfs/dbraw/zinc/87/05/39/567870539.db2.gz GSHONACQLOHUEW-VIZOYTHASA-N 0 0 293.779 3.754 50 30 CHEARN CCCCNc1nc(SC)nc(-c2ccccc2)c1C#N ZINC000015831984 567871273 /nfs/dbraw/zinc/87/12/73/567871273.db2.gz JOZGCXZPTREKAY-UHFFFAOYSA-N 0 0 298.415 3.949 50 30 CHEARN N#Cc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1 ZINC000015788111 567871334 /nfs/dbraw/zinc/87/13/34/567871334.db2.gz KKJYUFSMRVYPOP-AWEZNQCLSA-N 0 0 282.368 3.597 50 30 CHEARN Cc1ccc(C(=O)O/N=C2/C=C(C)C(=O)C=C2C(C)C)cc1 ZINC000015856859 567871366 /nfs/dbraw/zinc/87/13/66/567871366.db2.gz UVTHNRQRTXHVQH-MNDPQUGUSA-N 0 0 297.354 3.619 50 30 CHEARN Cc1nn(-c2ccccc2)cc1/C=C/C(=O)c1ccco1 ZINC000032912327 567872328 /nfs/dbraw/zinc/87/23/28/567872328.db2.gz MZVOLMJVAMYQLE-MDZDMXLPSA-N 0 0 278.311 3.670 50 30 CHEARN Cc1ccc(C(=O)/C=C\c2ccc3c(c2)OCO3)cc1 ZINC000017161066 567875326 /nfs/dbraw/zinc/87/53/26/567875326.db2.gz JWGMSRAHCNKMBC-YWEYNIOJSA-N 0 0 266.296 3.620 50 30 CHEARN COc1cc(/C=N\O)ccc1OCc1ccc(Cl)cc1 ZINC000018136537 567876432 /nfs/dbraw/zinc/87/64/32/567876432.db2.gz GOJBOTXFJSHHLA-MFOYZWKCSA-N 0 0 291.734 3.736 50 30 CHEARN CC(=CC(=O)c1ccccc1)NCc1ccc(F)cc1 ZINC000018143619 567876701 /nfs/dbraw/zinc/87/67/01/567876701.db2.gz VHRXZDBHDSLGQY-ACCUITESSA-N 0 0 269.319 3.702 50 30 CHEARN COc1ccc([C@H]2CC(=O)C=C(NCCC(C)C)C2)cc1 ZINC000018250678 567876786 /nfs/dbraw/zinc/87/67/86/567876786.db2.gz KFTCVHYTQYIZQI-OAHLLOKOSA-N 0 0 287.403 3.661 50 30 CHEARN O=C1c2cc(F)ccc2OCC/C1=C\c1cccs1 ZINC000023174984 567881694 /nfs/dbraw/zinc/88/16/94/567881694.db2.gz XRYSGPFOJWQQGS-CSKARUKUSA-N 0 0 274.316 3.936 50 30 CHEARN O=C1c2ccccc2C/C1=C\c1ccccc1-n1cccn1 ZINC000072298262 567885091 /nfs/dbraw/zinc/88/50/91/567885091.db2.gz KUNSNUWDWPEQMS-DTQAZKPQSA-N 0 0 286.334 3.695 50 30 CHEARN COc1ccc(NC2=CC(=O)C[C@@H](c3ccco3)C2)cc1 ZINC000000302795 567887307 /nfs/dbraw/zinc/88/73/07/567887307.db2.gz WQERMCPMDIEZAB-LBPRGKRZSA-N 0 0 283.327 3.731 50 30 CHEARN CC(=O)Nc1ccc(/C=C2/CCc3ccccc3C2=O)cc1 ZINC000035080480 567888988 /nfs/dbraw/zinc/88/89/88/567888988.db2.gz RERQTUGPOVUEME-VBKFSLOCSA-N 0 0 291.350 3.858 50 30 CHEARN CC(C)(C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000004611900 567893989 /nfs/dbraw/zinc/89/39/89/567893989.db2.gz VRONPAOLJQIZPK-UHFFFAOYSA-N 0 0 276.405 3.873 50 30 CHEARN O=C(/C=C/c1cc(Cl)ccc1O)c1ccccc1 ZINC000072333043 567894902 /nfs/dbraw/zinc/89/49/02/567894902.db2.gz BWEFKSRPZNPPEH-SOFGYWHQSA-N 0 0 258.704 3.942 50 30 CHEARN CCOc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1O ZINC000072332969 567895488 /nfs/dbraw/zinc/89/54/88/567895488.db2.gz HEEJDWVPRFAQTD-VAWYXSNFSA-N 0 0 282.339 3.995 50 30 CHEARN CCCCCCCCC[NH+]1CCC(C(=O)[O-])CC1 ZINC000059265909 567896375 /nfs/dbraw/zinc/89/63/75/567896375.db2.gz COYJNOAKICGPDS-UHFFFAOYSA-N 0 0 255.402 3.534 50 30 CHEARN CSC(=Nc1ccccc1)NN=Cc1ccccc1O ZINC000004635931 567897337 /nfs/dbraw/zinc/89/73/37/567897337.db2.gz JLNIRHVYXIJJQR-LFIBNONCSA-N 0 0 285.372 3.557 50 30 CHEARN Cc1cc(NN=Cc2ccccc2O)nc2ccccc12 ZINC000004688112 567901799 /nfs/dbraw/zinc/90/17/99/567901799.db2.gz FBFCGDAMQYXTIH-WOJGMQOQSA-N 0 0 277.327 3.695 50 30 CHEARN C[C@H](c1cccs1)N(C)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000033235525 567902073 /nfs/dbraw/zinc/90/20/73/567902073.db2.gz FTJGTAJOGUPTPG-WTNCMQEWSA-N 0 0 296.395 3.853 50 30 CHEARN CC(C)(C#N)c1ccc(-c2ccc3[nH]c(CO)nc3c2)cc1 ZINC000096160315 567909946 /nfs/dbraw/zinc/90/99/46/567909946.db2.gz RHPLANXQPAUBQP-UHFFFAOYSA-N 0 0 291.354 3.523 50 30 CHEARN CC(=O)c1ccc(N/N=C2/Sc3ccccc3C2=O)cc1 ZINC000100068809 567912043 /nfs/dbraw/zinc/91/20/43/567912043.db2.gz JSDARVVHMOKMIE-FBMGVBCBSA-N 0 0 296.351 3.603 50 30 CHEARN CC(=O)C(=CNc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000100068169 567912094 /nfs/dbraw/zinc/91/20/94/567912094.db2.gz PEBIEQXFVVAELW-WJDWOHSUSA-N 0 0 282.299 3.637 50 30 CHEARN CC(=CC(=O)c1ccccc1)Nc1cccc(O)c1 ZINC000100245694 567912526 /nfs/dbraw/zinc/91/25/26/567912526.db2.gz VOCYURPELGFFFX-ZRDIBKRKSA-N 0 0 253.301 3.591 50 30 CHEARN Cc1cc(C)cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c1 ZINC000046440793 567913116 /nfs/dbraw/zinc/91/31/16/567913116.db2.gz NLFQXELPKFHBSW-AWEZNQCLSA-N 0 0 289.338 3.670 50 30 CHEARN CSc1ccccc1NC=C1C(=O)CC(C)(C)CC1=O ZINC000100427389 567913212 /nfs/dbraw/zinc/91/32/12/567913212.db2.gz FYDYFCVFSBCDMR-UHFFFAOYSA-N 0 0 289.400 3.663 50 30 CHEARN CCCc1noc2c1/C(=N\O)C[C@H](C[C@H](C)SCC)C2 ZINC000100525979 567913441 /nfs/dbraw/zinc/91/34/41/567913441.db2.gz WVAQCLFHSSAAFE-TXDDRFEGSA-N 0 0 296.436 3.900 50 30 CHEARN C/C(=C\C(=O)c1ccc(Cl)cc1Cl)N(C)C ZINC000100914567 567914071 /nfs/dbraw/zinc/91/40/71/567914071.db2.gz JTQOEJJFBNCVPV-SOFGYWHQSA-N 0 0 258.148 3.642 50 30 CHEARN C[C@H]1Cc2ccccc2N1Cc1cc(C#N)cs1 ZINC000095456981 567915192 /nfs/dbraw/zinc/91/51/92/567915192.db2.gz GJWBUKPRVISMJQ-NSHDSACASA-N 0 0 254.358 3.571 50 30 CHEARN O/N=C1\C=C(c2ccccc2)/C(=N\O)C=C1c1ccccc1 ZINC000102311608 567915376 /nfs/dbraw/zinc/91/53/76/567915376.db2.gz HSLFFQCWVDTMOX-YAFCTCPESA-N 0 0 290.322 3.828 50 30 CHEARN CCCC(=O)C1=C(SCC)CC(C)(C)CC1=O ZINC000000287417 567931223 /nfs/dbraw/zinc/93/12/23/567931223.db2.gz HSBHRTIMJLNKLC-UHFFFAOYSA-N 0 0 254.395 3.752 50 30 CHEARN Cc1cc(C)c(C#N)c(SCC(=O)c2ccccc2)n1 ZINC000000206405 567924985 /nfs/dbraw/zinc/92/49/85/567924985.db2.gz IBTOKBFICVBTAK-UHFFFAOYSA-N 0 0 282.368 3.545 50 30 CHEARN Cc1cccc(NC=C2C(=O)CC(C)(C)CC2=O)c1C ZINC000000260247 567925622 /nfs/dbraw/zinc/92/56/22/567925622.db2.gz KGAOSBYSBWDMJI-UHFFFAOYSA-N 0 0 271.360 3.557 50 30 CHEARN C=C(C)Cn1c2ccccc2nc1-c1ccc(N)cc1 ZINC000000299807 567926378 /nfs/dbraw/zinc/92/63/78/567926378.db2.gz RPDJOGKCAAVAJQ-UHFFFAOYSA-N 0 0 263.344 3.862 50 30 CHEARN O/N=C/c1ccc(Oc2cccc(C(F)(F)F)c2)nc1 ZINC000100468397 567927376 /nfs/dbraw/zinc/92/73/76/567927376.db2.gz AQRQZTWECSYTTL-QGMBQPNBSA-N 0 0 282.221 3.701 50 30 CHEARN Fc1ccccc1C=NN=c1[nH]c2ccccc2s1 ZINC000252630041 567930266 /nfs/dbraw/zinc/93/02/66/567930266.db2.gz UTFIVVSLQRQDGE-UHFFFAOYSA-N 0 0 271.320 3.881 50 30 CHEARN O=C1CC(=O)CC(c2cccc(C(F)(F)F)c2)C1 ZINC000138735993 567931136 /nfs/dbraw/zinc/93/11/36/567931136.db2.gz VTLOBHLHXMJGIL-SECBINFHSA-N 0 0 256.223 3.594 50 30 CHEARN C=CCn1c(=S)[nH]nc1[C@H](C)Oc1ccc(CC)cc1 ZINC000002526662 567931147 /nfs/dbraw/zinc/93/11/47/567931147.db2.gz SISVWVRKVKLMOC-NSHDSACASA-N 0 0 289.404 3.829 50 30 CHEARN CC(Cc1nc2ccccc2[nH]1)N=Nc1ccccc1 ZINC000000358208 567931216 /nfs/dbraw/zinc/93/12/16/567931216.db2.gz DARNXGRWSCNBCJ-UNOMPAQXSA-N 0 0 264.332 3.593 50 30 CHEARN C=CCc1ccccc1OCCCn1nnc2ccccc21 ZINC000005483033 567932378 /nfs/dbraw/zinc/93/23/78/567932378.db2.gz NMUBZLDTENIYMH-UHFFFAOYSA-N 0 0 293.370 3.629 50 30 CHEARN C=CCCC(=O)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000206670274 567932713 /nfs/dbraw/zinc/93/27/13/567932713.db2.gz WYKCRYRGYKZPGR-HNNXBMFYSA-N 0 0 275.367 3.888 50 30 CHEARN Cc1ccc(/N=C/c2cc3ccccc3[nH]c2=O)cc1C ZINC000017196518 567935170 /nfs/dbraw/zinc/93/51/70/567935170.db2.gz OQPBKROUVRSCOS-YBFXNURJSA-N 0 0 276.339 3.896 50 30 CHEARN N#CCc1ccc(NC(=O)Nc2ccccc2F)cc1 ZINC000000151576 567935301 /nfs/dbraw/zinc/93/53/01/567935301.db2.gz IXXGGWIWOSCDHY-UHFFFAOYSA-N 0 0 269.279 3.536 50 30 CHEARN C=CCOc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1 ZINC000004853232 567938383 /nfs/dbraw/zinc/93/83/83/567938383.db2.gz VGAYVIZRICMXBY-UHFFFAOYSA-N 0 0 284.315 3.772 50 30 CHEARN Cc1sc(NC(=O)C2CCCCC2)c(C#N)c1C ZINC000000483555 567939130 /nfs/dbraw/zinc/93/91/30/567939130.db2.gz KNFWMBGVJBDGSE-UHFFFAOYSA-N 0 0 262.378 3.755 50 30 CHEARN COc1ccc(/N=C/c2c(Cl)nc3sccn23)cc1 ZINC000100926025 567939388 /nfs/dbraw/zinc/93/93/88/567939388.db2.gz PECJXRYAMJRJBM-OVCLIPMQSA-N 0 0 291.763 3.808 50 30 CHEARN Cc1cccc(C(=O)C=CNc2ccc(Cl)cn2)c1 ZINC000103895387 567943272 /nfs/dbraw/zinc/94/32/72/567943272.db2.gz VEBVTWVUGFZTPP-BQYQJAHWSA-N 0 0 272.735 3.852 50 30 CHEARN Cc1ccccc1NC=CC(=O)c1ccc2c(c1)OCO2 ZINC000044842330 567946081 /nfs/dbraw/zinc/94/60/81/567946081.db2.gz YVSWEDBUFIWIQZ-CMDGGOBGSA-N 0 0 281.311 3.532 50 30 CHEARN O=C(/C=C\c1ccc2nccnc2c1)c1cccs1 ZINC000034254234 567949252 /nfs/dbraw/zinc/94/92/52/567949252.db2.gz BGXBGJHLEURXJZ-XQRVVYSFSA-N 0 0 266.325 3.587 50 30 CHEARN CCCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000004603542 570236470 /nfs/dbraw/zinc/23/64/70/570236470.db2.gz OWAJSLBZUYSTCE-UHFFFAOYSA-N 0 0 262.378 3.627 50 30 CHEARN O=C1Nc2ccc(Cl)cc2/C1=N/c1ccc(F)cc1 ZINC000013902810 570221777 /nfs/dbraw/zinc/22/17/77/570221777.db2.gz AUTSTCKRVMOLCA-UHFFFAOYSA-N 0 0 274.682 3.552 50 30 CHEARN CCOc1ccccc1/C=C/C(=O)c1ccc(N)cc1 ZINC000016991202 570225894 /nfs/dbraw/zinc/22/58/94/570225894.db2.gz SRFSMZXSPNWGLF-FMIVXFBMSA-N 0 0 267.328 3.564 50 30 CHEARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(C#N)cc1)C2 ZINC000011367508 570254170 /nfs/dbraw/zinc/25/41/70/570254170.db2.gz QWCXULZVTZIJBO-INIZCTEOSA-N 0 0 294.379 3.522 50 30 CHEARN C[C@H](Nc1oc(-c2ccco2)nc1C#N)c1ccccc1 ZINC000000352177 570264965 /nfs/dbraw/zinc/26/49/65/570264965.db2.gz ZKPMZIARYJWEMD-NSHDSACASA-N 0 0 279.299 3.979 50 30 CHEARN C[C@H]1C[C@H](C)CN(c2oc(Cc3ccccc3)nc2C#N)C1 ZINC000000352170 570265012 /nfs/dbraw/zinc/26/50/12/570265012.db2.gz FPYWORUYQDIISA-KBPBESRZSA-N 0 0 295.386 3.619 50 30 CHEARN COc1ccc(/N=C2\c3ccccc3N(C(C)C)C2=O)cc1 ZINC000100346743 570266994 /nfs/dbraw/zinc/26/69/94/570266994.db2.gz PFIQIOVKWDZUNV-HTXNQAPBSA-N 0 0 294.354 3.571 50 30 CHEARN CC1(C)C[C@H](O)c2cc(N[C@@H]3CCC[C@H](C#N)C3)ccc21 ZINC000252498829 570270274 /nfs/dbraw/zinc/27/02/74/570270274.db2.gz RNBKJNTXQNBLLB-AHIWAGSCSA-N 0 0 284.403 3.896 50 30 CHEARN C[C@@H]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC000048314170 570297272 /nfs/dbraw/zinc/29/72/72/570297272.db2.gz MPICTCIXWJIHQS-FVQBIDKESA-N 0 0 274.408 3.825 50 30 CHEARN CC1(C#N)CCN(Cc2ccc(F)c(Cl)c2F)CC1 ZINC000215250817 570302792 /nfs/dbraw/zinc/30/27/92/570302792.db2.gz ZMGUNZUASLNHGL-UHFFFAOYSA-N 0 0 284.737 3.744 50 30 CHEARN N#CCSc1nc2c(c([C@H]3CC=CCC3)c1C#N)CCC2 ZINC000003894103 570328789 /nfs/dbraw/zinc/32/87/89/570328789.db2.gz SWACGRXYUNHHOO-LBPRGKRZSA-N 0 0 295.411 3.881 50 30 CHEARN N#CCCN[C@@H]1CCOc2ccc(-c3ccccc3)cc21 ZINC000299804090 570330284 /nfs/dbraw/zinc/33/02/84/570330284.db2.gz YKJGWOUJFLDZKI-QGZVFWFLSA-N 0 0 278.355 3.680 50 30 CHEARN FC1(F)C(F)(F)[C@@](F)(Cl)[C@@](F)(Cl)C1(F)F ZINC000103529420 570334822 /nfs/dbraw/zinc/33/48/22/570334822.db2.gz UMMLBZUMYNNRAK-XIXRPRMCSA-N 0 0 282.945 3.715 50 30 CHEARN CN(C)/N=C/c1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 ZINC000004306864 570338503 /nfs/dbraw/zinc/33/85/03/570338503.db2.gz QQIXDUPRRXMFBY-BDPZUMOYSA-N 0 0 296.345 3.617 50 30 CHEARN C#CCOC(=O)/C=C/c1ccc(F)c(Oc2ccccc2)c1 ZINC000216863058 570346739 /nfs/dbraw/zinc/34/67/39/570346739.db2.gz PUNXMEGXDCTAIX-PKNBQFBNSA-N 0 0 296.297 3.808 50 30 CHEARN COc1ccc(NC(=O)Nc2ccc(C#N)cc2)c(C)c1 ZINC000051355854 570353495 /nfs/dbraw/zinc/35/34/95/570353495.db2.gz KHKZTGLFZNKCMT-UHFFFAOYSA-N 0 0 281.315 3.519 50 30 CHEARN N#Cc1ccc(CN2CCSc3ccccc32)cc1 ZINC000016556252 570356184 /nfs/dbraw/zinc/35/61/84/570356184.db2.gz LHSOHAUOWAGGBT-UHFFFAOYSA-N 0 0 266.369 3.671 50 30 CHEARN O=[N+]([O-])c1ccccc1N=Cc1ccccc1Cl ZINC000252591166 570376040 /nfs/dbraw/zinc/37/60/40/570376040.db2.gz AYDNYRLDWZODCS-UHFFFAOYSA-N 0 0 260.680 3.999 50 30 CHEARN O=C1c2ccccc2C(=O)C1=C/C=C/c1ccccc1 ZINC000000208358 570382246 /nfs/dbraw/zinc/38/22/46/570382246.db2.gz BFEMTHSFMLXVSA-RMKNXTFCSA-N 0 0 260.292 3.705 50 30 CHEARN N#C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C#N ZINC000000078141 570382437 /nfs/dbraw/zinc/38/24/37/570382437.db2.gz WUSZCOSFCQWIPI-VYMRPNJYSA-N 0 0 256.308 3.557 50 30 CHEARN C#Cc1cncc(C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 ZINC000253417802 570385383 /nfs/dbraw/zinc/38/53/83/570385383.db2.gz MOEIZUJLAMUVLH-SFHVURJKSA-N 0 0 292.382 3.580 50 30 CHEARN N#Cc1c(Cl)c(Br)ccc1N1CCCC1 ZINC000000139164 570386808 /nfs/dbraw/zinc/38/68/08/570386808.db2.gz GWLVODXBMYUJLD-UHFFFAOYSA-N 0 0 285.572 3.574 50 30 CHEARN CC(C)(C)OC(=O)Nc1ccc(-c2ncccc2C#N)cc1 ZINC000074938351 570391710 /nfs/dbraw/zinc/39/17/10/570391710.db2.gz QGJABBNRUXAGQR-UHFFFAOYSA-N 0 0 295.342 3.967 50 30 CHEARN N#CCSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000002618330 570396806 /nfs/dbraw/zinc/39/68/06/570396806.db2.gz SOCCVURBKORJBL-UHFFFAOYSA-N 0 0 292.367 3.550 50 30 CHEARN N#Cc1ccc(NC(=O)c2cccs2)cc1Cl ZINC000003345756 570398889 /nfs/dbraw/zinc/39/88/89/570398889.db2.gz FVAPLVVCKDUXHK-UHFFFAOYSA-N 0 0 262.721 3.525 50 30 CHEARN Cc1[nH]c2ccccc2c1C1CCN(CCC#N)CC1 ZINC000048365361 570412908 /nfs/dbraw/zinc/41/29/08/570412908.db2.gz LIFCPSLUVBEEDT-UHFFFAOYSA-N 0 0 267.376 3.569 50 30 CHEARN C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000079101842 1119261145 /nfs/dbraw/zinc/26/11/45/1119261145.db2.gz ZTTTXTFTJXUDIA-ZIAGYGMSSA-N 0 0 267.438 3.545 50 30 CHEARN N#Cc1cccc(NC(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000002662454 1120663734 /nfs/dbraw/zinc/66/37/34/1120663734.db2.gz AOHPOSUTJVWKTG-UHFFFAOYSA-N 0 0 292.125 3.512 50 30 CHEARN C[C@@H]1CCC[C@H](C)N1N=C/C=C\c1ccccc1[N+](=O)[O-] ZINC000885838249 1125625241 /nfs/dbraw/zinc/62/52/41/1125625241.db2.gz AGDMTVLVWTVRJX-POSPNJJKSA-N 0 0 287.363 3.857 50 30 CHEARN C=CCCCOc1ccc(/C=C\C(=O)OCC)cc1 ZINC000033726614 1128601197 /nfs/dbraw/zinc/60/11/97/1128601197.db2.gz WLUIZLMABSMWES-XFXZXTDPSA-N 0 0 260.333 3.608 50 30 CHEARN O=C1c2ccccc2CC/C1=C\c1csc([N+](=O)[O-])c1 ZINC000048578938 1128717582 /nfs/dbraw/zinc/71/75/82/1128717582.db2.gz RYXAMBISGULLIS-KPKJPENVSA-N 0 0 285.324 3.869 50 30 CHEARN CCN(Cc1ccccc1OCC(C)C)C[C@H](C)C#N ZINC000072313431 1118389062 /nfs/dbraw/zinc/38/90/62/1118389062.db2.gz RAHYOQUEWXPWBH-OAHLLOKOSA-N 0 0 274.408 3.703 50 30 CHEARN Cc1ccc(/N=C2\c3ccccc3N(C)C2=O)cc1Cl ZINC000100260082 1119159290 /nfs/dbraw/zinc/15/92/90/1119159290.db2.gz XSLWUVTZCYXTTL-OBGWFSINSA-N 0 0 284.746 3.746 50 30 CHEARN COc1ccc(Br)cc1C=Nc1ccccn1 ZINC000252635317 1128886632 /nfs/dbraw/zinc/88/66/32/1128886632.db2.gz WWSRHZTZWVNKHL-UHFFFAOYSA-N 0 0 291.148 3.603 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(C)cc2C)cc1O ZINC000097993502 1120086466 /nfs/dbraw/zinc/08/64/66/1120086466.db2.gz KGNFRDQFMKQZFW-YVMONPNESA-N 0 0 282.339 3.914 50 30 CHEARN [N-]=[N+]=Nc1ccc(C(=O)NC2CCCCCCC2)cn1 ZINC000108518902 1120752423 /nfs/dbraw/zinc/75/24/23/1120752423.db2.gz JENNNNIETZLCNY-UHFFFAOYSA-N 0 0 273.340 3.866 50 30 CHEARN O=C(C=C(O)C=Cc1ccccc1)C(Cl)(Cl)Cl ZINC000107444081 1121114636 /nfs/dbraw/zinc/11/46/36/1121114636.db2.gz BHRRKMQDBYZODO-VOTSOKGWSA-N 0 0 291.561 3.598 50 30 CHEARN CC(C)COC(=O)/C=C\c1cn(CCC#N)c2ccccc12 ZINC000606443617 1121665333 /nfs/dbraw/zinc/66/53/33/1121665333.db2.gz SZALKJGKCZLHEN-HJWRWDBZSA-N 0 0 296.370 3.767 50 30 CHEARN C=C1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000618256368 1121701987 /nfs/dbraw/zinc/70/19/87/1121701987.db2.gz GZUOPHUBERZCPR-UHFFFAOYSA-N 0 0 273.420 3.818 50 30 CHEARN C=C(C)C[C@H](C)C(=O)N1CCOc2ccccc2[C@H]1C ZINC000585113961 1131299160 /nfs/dbraw/zinc/29/91/60/1131299160.db2.gz OZAACUUZXCABLF-UONOGXRCSA-N 0 0 273.376 3.571 50 30 CHEARN C=C(C)C[C@@H](C)C(=O)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000585126908 1131319966 /nfs/dbraw/zinc/31/99/66/1131319966.db2.gz KXGOYPJTOUKQEB-ZBFHGGJFSA-N 0 0 284.403 3.738 50 30 CHEARN O=C(/C=C\c1cnn(Cc2ccccc2)c1)c1cccs1 ZINC000096919785 1129575810 /nfs/dbraw/zinc/57/58/10/1129575810.db2.gz ARSQUNBCACTPEW-HJWRWDBZSA-N 0 0 294.379 3.889 50 30 CHEARN Cc1ccc(C(=O)/C=C\c2cnn(Cc3ccccc3)c2)o1 ZINC000096930442 1129577016 /nfs/dbraw/zinc/57/70/16/1129577016.db2.gz MBGDVQPITOPKJF-HJWRWDBZSA-N 0 0 292.338 3.729 50 30 CHEARN CC(=O)NCc1ccc(C(=O)/C=C\c2cccc(C)c2)s1 ZINC000096930480 1129577201 /nfs/dbraw/zinc/57/72/01/1129577201.db2.gz FVKQOKTZCIXTCZ-VURMDHGXSA-N 0 0 299.395 3.589 50 30 CHEARN CCOc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1OC ZINC000097992938 1129636160 /nfs/dbraw/zinc/63/61/60/1129636160.db2.gz AZMNFNUSAHWFNK-WMZJFQQLSA-N 0 0 298.338 3.696 50 30 CHEARN CCOc1cc(/C=C\C(=O)c2ccc(C)cc2)ccc1O ZINC000097992928 1129636312 /nfs/dbraw/zinc/63/63/12/1129636312.db2.gz HMJJWQRCISYMIO-POHAHGRESA-N 0 0 282.339 3.995 50 30 CHEARN N#Cc1cccc(/C=C\C(=O)Nc2cccc(Cl)c2)c1 ZINC000098007455 1129638298 /nfs/dbraw/zinc/63/82/98/1129638298.db2.gz RVQJIEYBNVWMFB-FPLPWBNLSA-N 0 0 282.730 3.864 50 30 CHEARN Cc1cccc(C)c1NC(=S)NN=C1C[C@@H]2CC=C[C@H]12 ZINC000254309155 1129684390 /nfs/dbraw/zinc/68/43/90/1129684390.db2.gz FCGGAAUHJYVYHQ-STQMWFEESA-N 0 0 285.416 3.542 50 30 CHEARN C=CCN=c1scc(-c2ccco2)n1N=C(C)CC ZINC000254507726 1129699495 /nfs/dbraw/zinc/69/94/95/1129699495.db2.gz GXTRVQTURINIQL-UHFFFAOYSA-N 0 0 275.377 3.530 50 30 CHEARN FC(F)Oc1ccccc1C=Nn1cnc2ccccc21 ZINC000254752096 1129708987 /nfs/dbraw/zinc/70/89/87/1129708987.db2.gz GXYFXTFZCGMSTP-UHFFFAOYSA-N 0 0 287.269 3.520 50 30 CHEARN CC(=O)Nc1ccc(C(C)=NOCc2cccc(C)c2)cc1 ZINC000254903394 1129717240 /nfs/dbraw/zinc/71/72/40/1129717240.db2.gz VQZUDTRRORUADH-UHFFFAOYSA-N 0 0 296.370 3.894 50 30 CHEARN O=C(C=CNc1ccccn1)c1ccc(Cl)cc1 ZINC000016545941 1129842114 /nfs/dbraw/zinc/84/21/14/1129842114.db2.gz WXXHFZLFNUHSEB-NTMALXAHSA-N 0 0 258.708 3.544 50 30 aggregator CHEARN CCOc1ccccc1/C=C\C(=O)c1ccc(O)c(OC)c1 ZINC000096792751 230386078 /nfs/dbraw/zinc/38/60/78/230386078.db2.gz HUZGIMXHGCSLTR-NTMALXAHSA-N 0 0 298.338 3.696 50 30 CHEARN Cc1nnc(NCC2CCCCCCC2)c(C#N)c1C ZINC000095951852 185040292 /nfs/dbraw/zinc/04/02/92/185040292.db2.gz IGTAHBRSIQLJOO-UHFFFAOYSA-N 0 0 272.396 3.738 50 30 CHEARN C=CCCC[C@@H](C)Sc1nnc(N(C)C)n1C(C)C ZINC000095984533 185055227 /nfs/dbraw/zinc/05/52/27/185055227.db2.gz FYWLNIIPGBZCEJ-GFCCVEGCSA-N 0 0 282.457 3.762 50 30 CHEARN O=C(/C=C\c1nc2ccccc2[nH]1)c1ccsc1 ZINC000096035672 185069505 /nfs/dbraw/zinc/06/95/05/185069505.db2.gz HMKDSKOXZVHOBR-WAYWQWQTSA-N 0 0 254.314 3.521 50 30 CHEARN CC(=O)Nc1cccc(C(=O)/C=C\c2ccccc2F)c1 ZINC000096766880 185112112 /nfs/dbraw/zinc/11/21/12/185112112.db2.gz POAZNHJQJZREFP-KTKRTIGZSA-N 0 0 283.302 3.680 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(C#N)cc2)cc1F ZINC000096891316 185125085 /nfs/dbraw/zinc/12/50/85/185125085.db2.gz ZTZOKRXHMKTKCQ-YWEYNIOJSA-N 0 0 281.286 3.602 50 30 CHEARN COc1cccc(/C=C\C(=O)c2ccc(C)o2)c1OC ZINC000096930421 185132193 /nfs/dbraw/zinc/13/21/93/185132193.db2.gz RKFUYVPHYBKMSJ-HJWRWDBZSA-N 0 0 272.300 3.501 50 30 CHEARN Cn1cc(/C=C\C(=O)c2ccc3cccc4c3c2CC4)cn1 ZINC000096939709 185132756 /nfs/dbraw/zinc/13/27/56/185132756.db2.gz OYOSWOYOZJPLAF-YHYXMXQVSA-N 0 0 288.350 3.568 50 30 CHEARN N#Cc1cccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1 ZINC000096939508 185132819 /nfs/dbraw/zinc/13/28/19/185132819.db2.gz BMENKJJQMDOBNU-AUWJEWJLSA-N 0 0 280.714 3.704 50 30 CHEARN CN(C)c1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000016391870 529774931 /nfs/dbraw/zinc/77/49/31/529774931.db2.gz NADFNCVGNLDNDV-MDZDMXLPSA-N 0 0 257.358 3.710 50 30 CHEARN CCCCCCC#Cc1cncc(C(=O)OCC)c1 ZINC000002576641 169812407 /nfs/dbraw/zinc/81/24/07/169812407.db2.gz MRRHJAMBKSGEOL-UHFFFAOYSA-N 0 0 259.349 3.580 50 30 CHEARN COc1ccc2c(c1)C/C(=C/c1ccc(N(C)C)cc1)C2=O ZINC000097475349 185613178 /nfs/dbraw/zinc/61/31/78/185613178.db2.gz BRJSGBLBUQXGOD-GDNBJRDFSA-N 0 0 293.366 3.584 50 30 CHEARN COC(=O)c1cccc(-c2ccc(C#N)c(Cl)c2)c1 ZINC000085210213 178973681 /nfs/dbraw/zinc/97/36/81/178973681.db2.gz ZUMBDRJNLBHZBQ-UHFFFAOYSA-N 0 0 271.703 3.665 50 30 CHEARN CCCCCCCCCCCCCOC[C@H](O)CO ZINC000085479813 179080455 /nfs/dbraw/zinc/08/04/55/179080455.db2.gz DOFWOIRVDLZRBO-MRXNPFEDSA-N 0 0 274.445 3.667 50 30 CHEARN COc1cc(/C=N/c2cc(C)ccc2C)ccc1O ZINC000100004211 185700900 /nfs/dbraw/zinc/70/09/00/185700900.db2.gz BZTDQYJCKYTHMO-LICLKQGHSA-N 0 0 255.317 3.768 50 30 CHEARN O=C1c2ccccc2S/C1=C/NCc1ccccc1 ZINC000100304070 185711371 /nfs/dbraw/zinc/71/13/71/185711371.db2.gz TZMYUXSHUGPCAC-RVDMUPIBSA-N 0 0 267.353 3.606 50 30 CHEARN O=C1c2ccccc2SC1=CNc1ccccc1O ZINC000100568874 185720455 /nfs/dbraw/zinc/72/04/55/185720455.db2.gz VBKYQGPHOGEPNA-NTEUORMPSA-N 0 0 269.325 3.634 50 30 CHEARN N#Cc1cc(N2CCc3ccccc3C2)nc2ccccc12 ZINC000018195230 136575630 /nfs/dbraw/zinc/57/56/30/136575630.db2.gz VOYKKOACMBJHOG-UHFFFAOYSA-N 0 0 285.350 3.669 50 30 CHEARN N#Cc1ccc(F)c(CN2CCCc3ccccc32)c1 ZINC000014901457 136572610 /nfs/dbraw/zinc/57/26/10/136572610.db2.gz BEHQYLWZFWDWMT-UHFFFAOYSA-N 0 0 266.319 3.650 50 30 CHEARN FC1(F)C(F)(F)[C@@](F)(Cl)[C@](F)(Cl)C1(F)F ZINC000103529434 185848963 /nfs/dbraw/zinc/84/89/63/185848963.db2.gz UMMLBZUMYNNRAK-JCYAYHJZSA-N 0 0 282.945 3.715 50 30 CHEARN N#Cc1ccc2c(ccn2Cc2ccccc2F)c1 ZINC000216945689 189707384 /nfs/dbraw/zinc/70/73/84/189707384.db2.gz LTXVSADOJRORKK-UHFFFAOYSA-N 0 0 250.276 3.700 50 30 CHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccco3)sc2C1 ZINC000000156851 169557514 /nfs/dbraw/zinc/55/75/14/169557514.db2.gz CYWBLGQKVJJXCL-SECBINFHSA-N 0 0 286.356 3.590 50 30 CHEARN O=C1CCCC2=C1C(c1ccccc1)C1=C(CCCC1=O)O2 ZINC000000206188 169574294 /nfs/dbraw/zinc/57/42/94/169574294.db2.gz GRNGVFFDAIAPRQ-UHFFFAOYSA-N 0 0 294.350 3.815 50 30 CHEARN CC(=O)N(c1ccc(C)cc1)c1nc(C)cc(C)c1C#N ZINC000000274991 169594813 /nfs/dbraw/zinc/59/48/13/169594813.db2.gz YJLLPXZCMCLGKT-UHFFFAOYSA-N 0 0 279.343 3.563 50 30 CHEARN NC(=O)c1ccccc1/N=C/c1ccc(Cl)cc1Cl ZINC000000298240 169601036 /nfs/dbraw/zinc/60/10/36/169601036.db2.gz MHEZPIZBUVAKTJ-QGMBQPNBSA-N 0 0 293.153 3.843 50 30 CHEARN CCOc1ccccc1NC=CC(=O)c1ccc(OC)cc1 ZINC000000305520 169603631 /nfs/dbraw/zinc/60/36/31/169603631.db2.gz OAEOQHSVNBHTQH-OUKQBFOZSA-N 0 0 297.354 3.902 50 30 CHEARN CCCc1cc(Cl)n2c3ccccc3nc2c1C#N ZINC000000409561 169633410 /nfs/dbraw/zinc/63/34/10/169633410.db2.gz HKGUTIVSXUFMKR-UHFFFAOYSA-N 0 0 269.735 3.965 50 30 CHEARN C[C@@H]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC000048314166 184564318 /nfs/dbraw/zinc/56/43/18/184564318.db2.gz MPICTCIXWJIHQS-VNQPRFMTSA-N 0 0 274.408 3.825 50 30 CHEARN CCCCCCCNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000002058282 260008071 /nfs/dbraw/zinc/00/80/71/260008071.db2.gz PWUFCUMICYQDMC-UHFFFAOYSA-N 0 0 297.464 3.861 50 30 CHEARN N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCCCC1 ZINC000096346428 256890186 /nfs/dbraw/zinc/89/01/86/256890186.db2.gz HKPXMLRTCAABJT-LSDHHAIUSA-N 0 0 293.370 3.808 50 30 CHEARN O=C1C=C(Nc2ccc(NC3=CC(=O)CCC3)cc2)CCC1 ZINC000000580423 169672538 /nfs/dbraw/zinc/67/25/38/169672538.db2.gz JNTGSSDHXGEQQX-UHFFFAOYSA-N 0 0 296.370 3.784 50 30 CHEARN Cc1c2cc(F)ccc2oc1C(=O)Oc1ccc(C#N)cc1 ZINC000001057187 169688299 /nfs/dbraw/zinc/68/82/99/169688299.db2.gz HWZOMVPRJJAGEE-UHFFFAOYSA-N 0 0 295.269 3.971 50 30 CHEARN C[C@@H]1C[C@@H](C)CN(c2cc(C#N)c(C#N)cc2Cl)C1 ZINC000000482254 134528208 /nfs/dbraw/zinc/52/82/08/134528208.db2.gz DMQYENWZWTWSMM-GHMZBOCLSA-N 0 0 273.767 3.566 50 30 CHEARN N#Cc1ccc(C(=O)CCc2cccc(F)c2)cc1 ZINC000002517324 169799830 /nfs/dbraw/zinc/79/98/30/169799830.db2.gz BTJPIKZDWLZJRM-UHFFFAOYSA-N 0 0 253.276 3.513 50 30 CHEARN N#Cc1ccc(C(=O)c2cccc(Br)c2)cc1 ZINC000002567531 169810320 /nfs/dbraw/zinc/81/03/20/169810320.db2.gz OWRWIODKQYJOJI-UHFFFAOYSA-N 0 0 286.128 3.552 50 30 CHEARN COc1ccccc1[C@@H](CC#N)[C@H]1CCOC(C)(C)C1 ZINC000002878872 169840225 /nfs/dbraw/zinc/84/02/25/169840225.db2.gz YVMJVMVBULDODL-KBPBESRZSA-N 0 0 273.376 3.898 50 30 CHEARN C[C@H](C#N)OC(=O)c1ccccc1Oc1ccccc1 ZINC000003310706 169877104 /nfs/dbraw/zinc/87/71/04/169877104.db2.gz AIEVWABUQZNAGA-GFCCVEGCSA-N 0 0 267.284 3.548 50 30 CHEARN N#Cc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000003400001 169885360 /nfs/dbraw/zinc/88/53/60/169885360.db2.gz RDYJDMVSRVAEJV-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN Cc1ccc(C)c(SCC(=O)Nc2ccccc2C#N)c1 ZINC000003499265 169892356 /nfs/dbraw/zinc/89/23/56/169892356.db2.gz VYPCVAKEBTWJCY-UHFFFAOYSA-N 0 0 296.395 3.906 50 30 CHEARN Cc1ccc(-c2csc3ncnc(OCC#N)c23)cc1 ZINC000003578164 169898845 /nfs/dbraw/zinc/89/88/45/169898845.db2.gz QVLMEFWFWFCDED-UHFFFAOYSA-N 0 0 281.340 3.569 50 30 CHEARN CCc1cc2c(ncnc2N=NCc2cccs2)s1 ZINC000004697144 170000804 /nfs/dbraw/zinc/00/08/04/170000804.db2.gz BHABJYARNDNSGM-APSNUPSMSA-N 0 0 288.401 3.761 50 30 CHEARN COc1ccccc1CC(C)N=Nc1ccc([N+](=O)[O-])cc1 ZINC000004738068 170008130 /nfs/dbraw/zinc/00/81/30/170008130.db2.gz MHZZJHCLZWLWJY-SFQUDFHCSA-N 0 0 299.330 3.634 50 30 CHEARN CC(N=Nc1nnc(Cl)c2ccccc21)c1cccnc1 ZINC000004772866 170014848 /nfs/dbraw/zinc/01/48/48/170014848.db2.gz NTYDXVMONNGYDK-VCHYOVAHSA-N 0 0 297.749 3.514 50 30 CHEARN CC1=C[C@@](C)(C(Cl)(Cl)Cl)C(C)=CC1=O ZINC000004776795 170015275 /nfs/dbraw/zinc/01/52/75/170015275.db2.gz ACUGWBQJVJTCAG-SECBINFHSA-N 0 0 253.556 3.838 50 30 CHEARN CC[C@@H](C)Oc1c(Br)cc(C#N)cc1OC ZINC000004808028 170020610 /nfs/dbraw/zinc/02/06/10/170020610.db2.gz JHTRXSCVQQZJNG-MRVPVSSYSA-N 0 0 284.153 3.507 50 30 CHEARN C=CCOc1cccc(C(=O)NC2CCCCCC2)c1 ZINC000004841654 170028208 /nfs/dbraw/zinc/02/82/08/170028208.db2.gz KREXMPHICWLVDU-UHFFFAOYSA-N 0 0 273.376 3.704 50 30 CHEARN C=CCOc1cccc(C(=O)N[C@H](C)c2ccccc2)c1 ZINC000004868633 170034211 /nfs/dbraw/zinc/03/42/11/170034211.db2.gz LTMPPYLSNYBZLM-CQSZACIVSA-N 0 0 281.355 3.742 50 30 CHEARN N#CC(=NNc1ccccc1)c1nc2ccccc2s1 ZINC000004953400 170044869 /nfs/dbraw/zinc/04/48/69/170044869.db2.gz LXGYDCCPENBREL-CPNJWEJPSA-N 0 0 278.340 3.636 50 30 CHEARN C=CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000004953454 170044926 /nfs/dbraw/zinc/04/49/26/170044926.db2.gz JLFXHSVZYUCRRR-DHZHZOJOSA-N 0 0 295.816 3.727 50 30 CHEARN Cc1ccc(-c2csc(=NN=Cc3ccco3)[nH]2)cc1 ZINC000004985243 170049042 /nfs/dbraw/zinc/04/90/42/170049042.db2.gz FTSQGEWZFGNMEQ-CXUHLZMHSA-N 0 0 283.356 3.579 50 30 CHEARN COc1ccc(/N=C/c2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000005026894 170057678 /nfs/dbraw/zinc/05/76/78/170057678.db2.gz MZXOLKFPZXBLCI-YBFXNURJSA-N 0 0 292.338 3.596 50 30 CHEARN CC(C)CNC1=CC(=O)C[C@H](c2cccc(Cl)c2)C1 ZINC000005062151 170062583 /nfs/dbraw/zinc/06/25/83/170062583.db2.gz JWHDZSGBEPDVQI-CYBMUJFWSA-N 0 0 277.795 3.916 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000005072999 170064318 /nfs/dbraw/zinc/06/43/18/170064318.db2.gz CTTLGZDUJAKKCC-WEVVVXLNSA-N 0 0 297.310 3.808 50 30 CHEARN COc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1 ZINC000005073192 170064461 /nfs/dbraw/zinc/06/44/61/170064461.db2.gz FUXQAGDIFDLZMZ-DHZHZOJOSA-N 0 0 268.312 3.600 50 30 CHEARN Nc1ccccc1NC1=CC(=O)C[C@H](c2cccs2)C1 ZINC000005137701 170069976 /nfs/dbraw/zinc/06/99/76/170069976.db2.gz KMDPYKBGADYFMV-LLVKDONJSA-N 0 0 284.384 3.773 50 30 CHEARN Cc1noc(C)c1CSc1nc(C)c(C)c(C)c1C#N ZINC000005172426 170073734 /nfs/dbraw/zinc/07/37/34/170073734.db2.gz GDPQBIRBJLWPRW-UHFFFAOYSA-N 0 0 287.388 3.776 50 30 CHEARN CC(C)C(=O)Nc1ccccc1NC1=CC(=O)C[C@H](C)C1 ZINC000005211413 170076462 /nfs/dbraw/zinc/07/64/62/170076462.db2.gz VUMJDQRTCQBHGW-GFCCVEGCSA-N 0 0 286.375 3.576 50 30 CHEARN CC(C)C(=O)Nc1ccccc1NC1=CC(=O)C[C@@H](C)C1 ZINC000005211723 170076520 /nfs/dbraw/zinc/07/65/20/170076520.db2.gz VUMJDQRTCQBHGW-LBPRGKRZSA-N 0 0 286.375 3.576 50 30 CHEARN CCOc1cccc(/C=N/c2ccccc2OC)c1O ZINC000005273517 170081743 /nfs/dbraw/zinc/08/17/43/170081743.db2.gz LKQISVVAEWXFIE-GZTJUZNOSA-N 0 0 271.316 3.550 50 30 CHEARN O=C(/C=C/c1cccnc1)c1ccc(Br)cc1 ZINC000005390838 170094014 /nfs/dbraw/zinc/09/40/14/170094014.db2.gz BSVUTQHUCAWGDV-FPYGCLRLSA-N 0 0 288.144 3.740 50 30 CHEARN Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C#N)c1C ZINC000005404523 170095388 /nfs/dbraw/zinc/09/53/88/170095388.db2.gz MYIQEPBCYDRUIQ-CQSZACIVSA-N 0 0 294.354 3.581 50 30 CHEARN N#Cc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000005425649 170098042 /nfs/dbraw/zinc/09/80/42/170098042.db2.gz JAHYXVWXAHJGAT-HNNXBMFYSA-N 0 0 294.379 3.525 50 30 CHEARN CC(=[NH+][N-]c1cc(C)c2ccccc2n1)c1ccc(N)cc1 ZINC000005516438 170106948 /nfs/dbraw/zinc/10/69/48/170106948.db2.gz OQOAAIHGUCFZMK-FYJGNVAPSA-N 0 0 290.370 3.962 50 30 CHEARN C=CCSc1cc(C)nc2c(-c3ccccc3)cnn21 ZINC000005518169 170107281 /nfs/dbraw/zinc/10/72/81/170107281.db2.gz YNVGNAPNOMDMII-UHFFFAOYSA-N 0 0 281.384 3.983 50 30 CHEARN Cc1ccc(C=NN=c2ccc3ccccc3[nH]2)o1 ZINC000005637133 170122541 /nfs/dbraw/zinc/12/25/41/170122541.db2.gz JFHKFWQDHDEOON-MHWRWJLKSA-N 0 0 251.289 3.582 50 30 CHEARN c1sc(N=NCc2ccncc2)nc1-c1ccccc1 ZINC000005775851 170139745 /nfs/dbraw/zinc/13/97/45/170139745.db2.gz MDQRZVTXYYTTLF-LICLKQGHSA-N 0 0 280.356 3.651 50 30 CHEARN COC(=O)c1ccc(/C=C\C(=O)C2CCCCC2)cc1 ZINC000006007976 170168024 /nfs/dbraw/zinc/16/80/24/170168024.db2.gz FDUGZYXEZMBHBC-XFXZXTDPSA-N 0 0 272.344 3.636 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccsc2)cc1OC ZINC000006341201 170193943 /nfs/dbraw/zinc/19/39/43/170193943.db2.gz KBBSZYWIHSMLAK-HWKANZROSA-N 0 0 274.341 3.661 50 30 CHEARN Cc1ccc(C)c(NC2=CC(=O)CC(C)(C)C2)c1C#N ZINC000006507041 170207948 /nfs/dbraw/zinc/20/79/48/170207948.db2.gz QQAKBMDGCDSRBM-UHFFFAOYSA-N 0 0 268.360 3.860 50 30 CHEARN CCc1cccc(C)c1NC(=O)c1cccc(C#N)c1 ZINC000007652916 170295865 /nfs/dbraw/zinc/29/58/65/170295865.db2.gz KQCRFRQJJMPWQI-UHFFFAOYSA-N 0 0 264.328 3.681 50 30 CHEARN CC(=O)Nc1cccc(C(=O)/C=C/c2ccccc2F)c1 ZINC000007744009 170300048 /nfs/dbraw/zinc/30/00/48/170300048.db2.gz POAZNHJQJZREFP-MDZDMXLPSA-N 0 0 283.302 3.680 50 30 CHEARN CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(C)s2)c1 ZINC000007744047 170300126 /nfs/dbraw/zinc/30/01/26/170300126.db2.gz GFKLLVOSSBALBY-CMDGGOBGSA-N 0 0 285.368 3.911 50 30 CHEARN C=CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1 ZINC000008073558 170317462 /nfs/dbraw/zinc/31/74/62/170317462.db2.gz GIFREISWOMONID-UHFFFAOYSA-N 0 0 267.328 3.812 50 30 CHEARN N#CCc1ccc(NC(=O)Cc2ccccc2Cl)cc1 ZINC000008126109 170320029 /nfs/dbraw/zinc/32/00/29/170320029.db2.gz DOWNGHFFMQGVTQ-UHFFFAOYSA-N 0 0 284.746 3.587 50 30 CHEARN N#Cc1ccc(NC(=O)CCc2ccsc2)cc1Cl ZINC000008185910 170323567 /nfs/dbraw/zinc/32/35/67/170323567.db2.gz CECJXWUHNNZSEO-UHFFFAOYSA-N 0 0 290.775 3.844 50 30 CHEARN COc1ccccc1NC(=S)Nc1cccc(F)c1 ZINC000008682530 170345258 /nfs/dbraw/zinc/34/52/58/170345258.db2.gz CNMTZVFGLUWLQK-UHFFFAOYSA-N 0 0 276.336 3.864 50 30 CHEARN O=C1c2ccccc2C2=NC(=O)S[C@H](c3ccccc3)C12 ZINC000008969282 170359826 /nfs/dbraw/zinc/35/98/26/170359826.db2.gz XYKHQKPEPZTMRU-MRXNPFEDSA-N 0 0 293.347 3.792 50 30 CHEARN C=CCOc1ccccc1NC(=O)c1ccccc1OCC ZINC000009815659 170386091 /nfs/dbraw/zinc/38/60/91/170386091.db2.gz VVGVSRCKVNCWNX-UHFFFAOYSA-N 0 0 297.354 3.902 50 30 CHEARN N#C[C@@]1(c2nc3ccccc3[nH]2)C[C@H]1c1ccc(F)cc1 ZINC000009913651 170390463 /nfs/dbraw/zinc/39/04/63/170390463.db2.gz WUYPQYUYTSTNLP-GUYCJALGSA-N 0 0 277.302 3.651 50 30 CHEARN C=CCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC000012343728 170477320 /nfs/dbraw/zinc/47/73/20/170477320.db2.gz XVLHNOPWEIZNPQ-DHZHZOJOSA-N 0 0 279.748 3.562 50 30 CHEARN CC(C)CC[C@@H]1C[C@H]1C(=O)Nc1ccccc1C#N ZINC000012382194 170482500 /nfs/dbraw/zinc/48/25/00/170482500.db2.gz SSBUZOOIRWMMGG-TZMCWYRMSA-N 0 0 256.349 3.569 50 30 CHEARN CC[C@H](C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000012773518 170509338 /nfs/dbraw/zinc/50/93/38/170509338.db2.gz BRWSWGLSERRZNJ-NSHDSACASA-N 0 0 299.399 3.590 50 30 CHEARN O=C1N(c2ccccc2)/C(=N/c2ccccc2)SC12CC2 ZINC000013467717 170552594 /nfs/dbraw/zinc/55/25/94/170552594.db2.gz OTNRIIZSOATAEN-VLGSPTGOSA-N 0 0 294.379 3.987 50 30 CHEARN C[C@@H]1C[C@H](C)CN(C(=S)NC2CCCCC2)C1 ZINC000013865431 170605798 /nfs/dbraw/zinc/60/57/98/170605798.db2.gz QLNVTSLHVPXNKC-TXEJJXNPSA-N 0 0 254.443 3.583 50 30 CHEARN N#Cc1cc(NC(=O)c2cccs2)ccc1Cl ZINC000013986866 170613858 /nfs/dbraw/zinc/61/38/58/170613858.db2.gz KBODLTYWJRUECR-UHFFFAOYSA-N 0 0 262.721 3.525 50 30 CHEARN C=CCOc1ccc(C(=O)Nc2ccccc2C)cc1OC ZINC000014136805 170619687 /nfs/dbraw/zinc/61/96/87/170619687.db2.gz YCHFHJWNHLBECG-UHFFFAOYSA-N 0 0 297.354 3.821 50 30 CHEARN C=CCN1C(=S)N=NC1c1cc2c(s1)CCCCC2 ZINC000017022792 170722135 /nfs/dbraw/zinc/72/21/35/170722135.db2.gz BPWSCPFQDPKWLM-UHFFFAOYSA-N 0 0 291.445 3.750 50 30 CHEARN N#CCCN(C(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000019516948 170823455 /nfs/dbraw/zinc/82/34/55/170823455.db2.gz AYMSWBBQHNXRBX-UHFFFAOYSA-N 0 0 284.746 3.900 50 30 CHEARN N#Cc1sccc1-c1cccc(-c2cc[nH]n2)c1 ZINC000020453934 171208120 /nfs/dbraw/zinc/20/81/20/171208120.db2.gz OFMBTERSRAIDNL-UHFFFAOYSA-N 0 0 251.314 3.677 50 30 CHEARN Cc1noc2c1[C@@H](c1ccsc1)C1=C(CCCC1=O)N2 ZINC000020739103 171271184 /nfs/dbraw/zinc/27/11/84/171271184.db2.gz KKAIWHJNOOFUFC-CYBMUJFWSA-N 0 0 286.356 3.609 50 30 CHEARN CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(C#N)c2)c1 ZINC000021006546 171285066 /nfs/dbraw/zinc/28/50/66/171285066.db2.gz ZDNMGXNBXOIPQL-UHFFFAOYSA-N 0 0 294.354 3.814 50 30 CHEARN Cc1sc(NC(=O)N(C)Cc2ccccc2)c(C#N)c1C ZINC000024562224 171437045 /nfs/dbraw/zinc/43/70/45/171437045.db2.gz QLFNSSMMPXMAML-UHFFFAOYSA-N 0 0 299.399 3.901 50 30 CHEARN N#Cc1ccccc1CSc1ncnc2ccsc21 ZINC000026963018 171504204 /nfs/dbraw/zinc/50/42/04/171504204.db2.gz LIIUMZKTHMPLLX-UHFFFAOYSA-N 0 0 283.381 3.855 50 30 CHEARN O=C(/C=C\c1cccc(Br)c1)c1cccnc1 ZINC000033786738 171820987 /nfs/dbraw/zinc/82/09/87/171820987.db2.gz GXBQTTZJGBMRNZ-SREVYHEPSA-N 0 0 288.144 3.740 50 30 CHEARN N#CCc1ccc(Br)c(C(F)(F)F)c1 ZINC000036533747 172639124 /nfs/dbraw/zinc/63/91/24/172639124.db2.gz RGGFAFIBVXMQSY-UHFFFAOYSA-N 0 0 264.044 3.534 50 30 CHEARN C=C(Cl)CSc1nnc(Cc2ccc(OC)cc2)o1 ZINC000039978312 174181206 /nfs/dbraw/zinc/18/12/06/174181206.db2.gz PDKWWTPSBOYXCC-UHFFFAOYSA-N 0 0 296.779 3.514 50 30 CHEARN CC[C@@H](Nc1ccc(C#N)cn1)c1ccc(OC)cc1 ZINC000040024852 174183640 /nfs/dbraw/zinc/18/36/40/174183640.db2.gz CUCRUWYBFVNBOJ-OAHLLOKOSA-N 0 0 267.332 3.525 50 30 CHEARN N#Cc1cccc(CSc2nccc(C(F)(F)F)n2)c1 ZINC000040047193 174184396 /nfs/dbraw/zinc/18/43/96/174184396.db2.gz WGKSSDSUFDVDHE-UHFFFAOYSA-N 0 0 295.289 3.659 50 30 CHEARN N#Cc1cccc(NC(=O)NCc2ccc(Cl)cc2)c1 ZINC000040098557 174190737 /nfs/dbraw/zinc/19/07/37/174190737.db2.gz LXAPJJKLWOICSI-UHFFFAOYSA-N 0 0 285.734 3.533 50 30 CHEARN CCC[C@@H](C)NC(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000040104336 174191399 /nfs/dbraw/zinc/19/13/99/174191399.db2.gz OJKUOWAYKAHREZ-SECBINFHSA-N 0 0 265.744 3.522 50 30 CHEARN CCOc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 ZINC000040139557 174193758 /nfs/dbraw/zinc/19/37/58/174193758.db2.gz FJHHNSVGVCGGEM-SOFGYWHQSA-N 0 0 296.322 3.710 50 30 CHEARN C=CCNc1nc(Nc2ccccc2O)nc2ccccc21 ZINC000041150568 174498423 /nfs/dbraw/zinc/49/84/23/174498423.db2.gz GRBQIMQPRIUXJN-UHFFFAOYSA-N 0 0 292.342 3.677 50 30 CHEARN FC(F)(F)[C@@](F)(Cl)[C@@](F)(Cl)C(F)(F)F ZINC000044430499 175175605 /nfs/dbraw/zinc/17/56/05/175175605.db2.gz LXANZHXWGZWFAC-XIXRPRMCSA-N 0 0 270.934 3.920 50 30 CHEARN C=CCn1c(C)nnc1S[C@H](C)c1ccc(F)cc1 ZINC000044865834 175267460 /nfs/dbraw/zinc/26/74/60/175267460.db2.gz JCRCULGFTWLROE-SNVBAGLBSA-N 0 0 277.368 3.765 50 30 CHEARN N#Cc1c(Cl)nsc1NC1CCCCCC1 ZINC000047405219 175407697 /nfs/dbraw/zinc/40/76/97/175407697.db2.gz ZCHABSJKSIWOIR-UHFFFAOYSA-N 0 0 255.774 3.803 50 30 CHEARN C=CCNC(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000072270882 176354662 /nfs/dbraw/zinc/35/46/62/176354662.db2.gz OKJRQZKHZUDHIZ-UHFFFAOYSA-N 0 0 278.783 3.595 50 30 CHEARN Cc1coc(C)c1C(=O)NC(C)(C)c1nccs1 ZINC000330478022 263947055 /nfs/dbraw/zinc/94/70/55/263947055.db2.gz KAVGGKMPMRLKBM-UHFFFAOYSA-N 0 0 264.350 3.593 50 30 CHEARN CCc1occc1C(=O)Nc1cc(C)nc(C(C)C)n1 ZINC000331178918 264154490 /nfs/dbraw/zinc/15/44/90/264154490.db2.gz MFUHBKHCJMUXGI-UHFFFAOYSA-N 0 0 273.336 3.700 50 30 CHEARN Cc1ccsc1[C@H]1CC(=O)OC2=C1C(=O)CC(C)(C)C2 ZINC000001422977 326794414 /nfs/dbraw/zinc/79/44/14/326794414.db2.gz HOMDTHLAZPJLIY-JTQLQIEISA-N 0 0 290.384 3.730 50 30 CHEARN C=CCN(C)C(=O)c1ccc(Oc2ccc(OC)cc2)cc1 ZINC000055255935 518741659 /nfs/dbraw/zinc/74/16/59/518741659.db2.gz MVTXGAZVQVNUSJ-UHFFFAOYSA-N 0 0 297.354 3.746 50 30 CHEARN C=CCN(Cc1c(C)noc1C)Cc1ccccc1F ZINC000056312541 518776769 /nfs/dbraw/zinc/77/67/69/518776769.db2.gz VYYKOYZFEMDZJR-UHFFFAOYSA-N 0 0 274.339 3.619 50 30 CHEARN CC(C)(C)[C@](O)(C#Cc1ccccc1)c1ccccc1 ZINC000067319257 518983968 /nfs/dbraw/zinc/98/39/68/518983968.db2.gz QMLXYBCCWSQGBH-IBGZPJMESA-N 0 0 264.368 3.972 50 30 CHEARN C=CCc1ccc(OC(=O)c2cccc(C#N)c2)c(OC)c1 ZINC000006790724 519134662 /nfs/dbraw/zinc/13/46/62/519134662.db2.gz XLBPYLBAPRLWLM-UHFFFAOYSA-N 0 0 293.322 3.515 50 30 CHEARN CCCCCCCC(=O)NCCc1ccc(OC)cc1 ZINC000002746965 519963526 /nfs/dbraw/zinc/96/35/26/519963526.db2.gz WJGBPXIJSXYGPM-UHFFFAOYSA-N 0 0 277.408 3.714 50 30 CHEARN CCCCCCCOC(=O)c1cccc(NC(C)=O)c1 ZINC000003088867 520062429 /nfs/dbraw/zinc/06/24/29/520062429.db2.gz UERDWOBWPCHNGY-UHFFFAOYSA-N 0 0 277.364 3.772 50 30 biogenic CHEARN CCCN(CC#N)C(=O)c1cc2c(s1)CCCCCC2 ZINC000059934325 521524095 /nfs/dbraw/zinc/52/40/95/521524095.db2.gz CKPGBZJTNHYMKJ-UHFFFAOYSA-N 0 0 290.432 3.783 50 30 CHEARN N#Cc1ccc(SC[C@H](O)CC(F)(F)F)c(Cl)c1 ZINC000189394239 526686352 /nfs/dbraw/zinc/68/63/52/526686352.db2.gz OOCIVEYJAIPYFG-MRVPVSSYSA-N 0 0 295.713 3.617 50 30 CHEARN C=C(C)[C@@H](NC(=O)CC(F)(F)F)c1ccc(F)c(F)c1 ZINC000186054653 526753495 /nfs/dbraw/zinc/75/34/95/526753495.db2.gz JGOJMMYXKGENKE-GFCCVEGCSA-N 0 0 293.235 3.651 50 30 CHEARN C#CCN(CC=C)Cc1nc(-c2cccc(C)c2)oc1C ZINC000014965711 526899670 /nfs/dbraw/zinc/89/96/70/526899670.db2.gz SKBLSZNABHUYHK-UHFFFAOYSA-N 0 0 280.371 3.580 50 30 CHEARN C=CCc1ccc(OC(=O)NC2CCCCC2)c(OC)c1 ZINC000000264277 527246818 /nfs/dbraw/zinc/24/68/18/527246818.db2.gz AZBFFBXKJFKUAQ-UHFFFAOYSA-N 0 0 289.375 3.845 50 30 biogenic CHEARN O=[N+]([O-])c1ccc(-n2cccc2/C=N/C2CCCC2)cc1 ZINC000000973249 527343838 /nfs/dbraw/zinc/34/38/38/527343838.db2.gz FSPVQCQTBRXYNM-SFQUDFHCSA-N 0 0 283.331 3.747 50 30 CHEARN CCCCCCCOc1ccc(/C=N/n2cnnc2)cc1 ZINC000097958791 528133996 /nfs/dbraw/zinc/13/39/96/528133996.db2.gz RDDQQEXMJHTDQU-XDHOZWIPSA-N 0 0 286.379 3.510 50 30 CHEARN CCCOc1c(Br)cc(C#N)cc1OCC ZINC000002767675 566858480 /nfs/dbraw/zinc/85/84/80/566858480.db2.gz DYLJGKVIJNMLOP-UHFFFAOYSA-N 0 0 284.153 3.508 50 30 CHEARN CC(C)(CCC#N)CNc1cccc(OCCF)c1 ZINC000095429334 567132884 /nfs/dbraw/zinc/13/28/84/567132884.db2.gz CTCDWEIBAZIDAI-UHFFFAOYSA-N 0 0 264.344 3.777 50 30 CHEARN N#CCc1ccc(Br)cc1C(F)(F)F ZINC000081990523 567906756 /nfs/dbraw/zinc/90/67/56/567906756.db2.gz DSDNDRQVAPPETF-UHFFFAOYSA-N 0 0 264.044 3.534 50 30 CHEARN Cc1ccc(-c2n[nH]c3c2C(=NO)c2ccccc2-3)cc1 ZINC000245240161 566828213 /nfs/dbraw/zinc/82/82/13/566828213.db2.gz LWYLQOXGXKHIHX-UHFFFAOYSA-N 0 0 275.311 3.592 50 30 CHEARN CC(C)(C)c1ccc(NN=C2c3ccccc3NC2=O)cc1 ZINC000003909235 566844679 /nfs/dbraw/zinc/84/46/79/566844679.db2.gz XAOBWSZZOQPTSV-UHFFFAOYSA-N 0 0 293.370 3.752 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2c(C)nc3sc(C)cn23)o1 ZINC000012556469 566850489 /nfs/dbraw/zinc/85/04/89/566850489.db2.gz VEDIVLPACCEESG-AATRIKPKSA-N 0 0 286.356 3.810 50 30 CHEARN N#Cc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1Cl ZINC000015541939 566881968 /nfs/dbraw/zinc/88/19/68/566881968.db2.gz CVHXKRXWODHTQP-UHFFFAOYSA-N 0 0 292.672 3.742 50 30 CHEARN C[C@H](c1cccs1)[S@@](=O)Cc1ccc(C#N)cc1 ZINC000084667333 566886330 /nfs/dbraw/zinc/88/63/30/566886330.db2.gz RYPBXVUDQUNFMI-ADLMAVQZSA-N 0 0 275.398 3.630 50 30 CHEARN C=CCNC(=S)NC1c2ccccc2Oc2ccccc21 ZINC000004614449 566890005 /nfs/dbraw/zinc/89/00/05/566890005.db2.gz VKQMFQPHQSZLGD-UHFFFAOYSA-N 0 0 296.395 3.532 50 30 CHEARN C=C1N(c2cccc(C(F)(F)F)c2)C(=O)OC1(C)C ZINC000004393417 566890188 /nfs/dbraw/zinc/89/01/88/566890188.db2.gz XMDXUVKAVZYBCX-UHFFFAOYSA-N 0 0 271.238 3.954 50 30 CHEARN C=CC[C@@H]([NH2+]Cc1ccco1)c1ccc(OC)cc1 ZINC000000300115 566899375 /nfs/dbraw/zinc/89/93/75/566899375.db2.gz KLECXMIWSBQFFU-MRXNPFEDSA-N 0 0 257.333 3.695 50 30 CHEARN C=CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000000975144 566899577 /nfs/dbraw/zinc/89/95/77/566899577.db2.gz TVOFOCMAJKBKNF-AWTKBBGNSA-N 0 0 287.409 3.630 50 30 CHEARN Cc1cccc2sc(NC(=O)c3ccc(C#N)cc3)nc21 ZINC000001518200 566902916 /nfs/dbraw/zinc/90/29/16/566902916.db2.gz FCWRDQFMKJARIJ-UHFFFAOYSA-N 0 0 293.351 3.729 50 30 CHEARN CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(C)cc2)cc1 ZINC000004582428 566911093 /nfs/dbraw/zinc/91/10/93/566911093.db2.gz QNVPXIXIIKJDKI-GHXNOFRVSA-N 0 0 279.339 3.850 50 30 CHEARN C=C[C@]1(O)CCCC[C@@H]1C1=C[C@H]2[C@@H](C[C@@H]1OC)C2(C)C ZINC000071786521 566917729 /nfs/dbraw/zinc/91/77/29/566917729.db2.gz UFTZBGUGBMLGCF-OCABDXPQSA-N 0 0 276.420 3.711 50 30 CHEARN C=CCSc1n[nH]c(-c2ccc(OCCCC)cc2)n1 ZINC000018212266 566925771 /nfs/dbraw/zinc/92/57/71/566925771.db2.gz NXJCLXHWJLYYRS-UHFFFAOYSA-N 0 0 289.404 3.929 50 30 CHEARN N=C1NC(=Nc2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000015905980 566928207 /nfs/dbraw/zinc/92/82/07/566928207.db2.gz ZYAMTQXTFJYRNU-UHFFFAOYSA-N 0 0 290.153 3.791 50 30 CHEARN C[C@]1(CCc2ccccc2)CCN(c2ncccc2C#N)C1 ZINC000075106847 566935773 /nfs/dbraw/zinc/93/57/73/566935773.db2.gz RUZMFKYNCHVKAA-IBGZPJMESA-N 0 0 291.398 3.802 50 30 CHEARN N#Cc1nc(-c2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC000075279455 566939839 /nfs/dbraw/zinc/93/98/39/566939839.db2.gz VALRTBJSJCFYEE-UHFFFAOYSA-N 0 0 292.729 3.731 50 30 CHEARN O=C1c2cc(Cl)ccc2O/C1=C/c1ccc(O)cc1 ZINC000075284359 566941204 /nfs/dbraw/zinc/94/12/04/566941204.db2.gz HEWGEPRUVCNWBS-VGOFMYFVSA-N 0 0 272.687 3.662 50 30 CHEARN COc1ccc2ncc(C#N)c(Nc3ccc(F)cc3)c2c1 ZINC000064438781 566977501 /nfs/dbraw/zinc/97/75/01/566977501.db2.gz AEMHBSWUBMCJHN-UHFFFAOYSA-N 0 0 293.301 3.998 50 30 CHEARN CC(C)n1ccnc1-c1ccc(C(C)(C)C#N)cc1 ZINC000426667641 566991416 /nfs/dbraw/zinc/99/14/16/566991416.db2.gz SMFYAVILHGXGMP-UHFFFAOYSA-N 0 0 253.349 3.932 50 30 CHEARN CC1CCC(NC(=O)c2ccccc2SCC#N)CC1 ZINC000036093679 566994403 /nfs/dbraw/zinc/99/44/03/566994403.db2.gz JNMVHGZITCSWTH-UHFFFAOYSA-N 0 0 288.416 3.611 50 30 CHEARN CN(Cc1cccnc1)c1ccc(C(F)(F)F)cc1C#N ZINC000036771612 567006010 /nfs/dbraw/zinc/00/60/10/567006010.db2.gz UFXUTWSVMCHMRM-UHFFFAOYSA-N 0 0 291.276 3.608 50 30 CHEARN N#Cc1c(F)cccc1Oc1cccc(-c2nnco2)c1 ZINC000065564989 567009666 /nfs/dbraw/zinc/00/96/66/567009666.db2.gz RIGRWWHNHRYVNC-UHFFFAOYSA-N 0 0 281.246 3.540 50 30 CHEARN N#CCc1ccc(NCc2ccc(OC(F)F)cc2)cc1 ZINC000037071258 567010481 /nfs/dbraw/zinc/01/04/81/567010481.db2.gz PWLMTUDRNKQAGF-UHFFFAOYSA-N 0 0 288.297 3.966 50 30 CHEARN O=C1c2ccccc2C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000000076030 567034992 /nfs/dbraw/zinc/03/49/92/567034992.db2.gz XKPKACXWCATSFM-UHFFFAOYSA-N 0 0 273.291 3.631 50 30 CHEARN CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#N)CC[C@H]21 ZINC000002090291 567042228 /nfs/dbraw/zinc/04/22/28/567042228.db2.gz OCCKPAXCEIDZSF-XNRPHZJLSA-N 0 0 257.333 3.608 50 30 biogenic CHEARN Cc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000000398539 567053126 /nfs/dbraw/zinc/05/31/26/567053126.db2.gz FBTIGRFRGXFPNM-UHFFFAOYSA-N 0 0 251.289 3.511 50 30 CHEARN O=C(NC1CCCCC1)ON=Cc1ccccc1Cl ZINC000252601262 567066154 /nfs/dbraw/zinc/06/61/54/567066154.db2.gz DYWBBXAMAIBQJU-UHFFFAOYSA-N 0 0 280.755 3.733 50 30 CHEARN N#Cc1c2c(sc1N=Cc1cccc(O)c1)CCCC2 ZINC000252627867 567069680 /nfs/dbraw/zinc/06/96/80/567069680.db2.gz SDBMFLSVHJDEEE-UHFFFAOYSA-N 0 0 282.368 3.955 50 30 CHEARN Cc1nn(C)c(C)c1N=Cc1c(O)ccc2ccccc21 ZINC000252627678 567069955 /nfs/dbraw/zinc/06/99/55/567069955.db2.gz RZIALXYIRNOGAQ-UHFFFAOYSA-N 0 0 279.343 3.646 50 30 CHEARN COc1c2[nH]c(C)c(C)c2ccc1NC(C)=CC(C)=O ZINC000000269491 567073897 /nfs/dbraw/zinc/07/38/97/567073897.db2.gz MLBVFSVWIVIZEM-CMDGGOBGSA-N 0 0 272.348 3.698 50 30 CHEARN CCC[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000018135014 567107967 /nfs/dbraw/zinc/10/79/67/567107967.db2.gz CJTSSYIPBZLYMD-KRWDZBQOSA-N 0 0 278.355 3.829 50 30 CHEARN CCC[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000018135013 567107979 /nfs/dbraw/zinc/10/79/79/567107979.db2.gz CJTSSYIPBZLYMD-QGZVFWFLSA-N 0 0 278.355 3.829 50 30 CHEARN Cc1nc(NC2CCCCC2)c(C#N)c(C)c1Cl ZINC000019933885 567125262 /nfs/dbraw/zinc/12/52/62/567125262.db2.gz QYQRZNYZZVNBBG-UHFFFAOYSA-N 0 0 263.772 3.968 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc3c(c2)CCC3)cc1O ZINC000096399842 567140979 /nfs/dbraw/zinc/14/09/79/567140979.db2.gz YQSOKKTVPHMKER-UITAMQMPSA-N 0 0 294.350 3.786 50 30 CHEARN N#C[C@@H](OC(=O)c1ccccc1)c1cnc2ccccc2c1 ZINC000028294817 567150364 /nfs/dbraw/zinc/15/03/64/567150364.db2.gz WYJJMOGUJWYEJL-QGZVFWFLSA-N 0 0 288.306 3.656 50 30 CHEARN Cc1ccc(C)c(C(=O)[C@H](C)Oc2ccc(C#N)cc2)c1 ZINC000002644335 567151039 /nfs/dbraw/zinc/15/10/39/567151039.db2.gz VSGIUODVCHCIHY-AWEZNQCLSA-N 0 0 279.339 3.825 50 30 CHEARN CCCCOc1ccc(-c2ncc(C#N)c(Cl)n2)cc1 ZINC000002904916 567153203 /nfs/dbraw/zinc/15/32/03/567153203.db2.gz RGSLQEAKPIFJRD-UHFFFAOYSA-N 0 0 287.750 3.848 50 30 CHEARN C[C@H](CCc1ccccc1)/N=C/c1ccccc1O ZINC000057411838 567156505 /nfs/dbraw/zinc/15/65/05/567156505.db2.gz VCYKLZPEKINGBD-QFGUUYLXSA-N 0 0 253.345 3.832 50 30 CHEARN CSc1ccc(NC(=O)c2ccc(F)cc2)cc1C#N ZINC000003104719 567160659 /nfs/dbraw/zinc/16/06/59/567160659.db2.gz GVZHOHJJYRNIGT-UHFFFAOYSA-N 0 0 286.331 3.672 50 30 CHEARN C[C@@H](c1cccc(Cl)c1)N(C)c1ccc(C#N)cn1 ZINC000058003359 567168001 /nfs/dbraw/zinc/16/80/01/567168001.db2.gz FEYSZHOPESIQFE-NSHDSACASA-N 0 0 271.751 3.804 50 30 CHEARN CCc1cccc(CC)c1NC(=O)c1ccc(C#N)cc1 ZINC000003473939 567176808 /nfs/dbraw/zinc/17/68/08/567176808.db2.gz HJTLEKAESDOLBN-UHFFFAOYSA-N 0 0 278.355 3.935 50 30 CHEARN CCCCC(=O)O/N=C/c1c(Cl)n(C)c2ccccc12 ZINC000004051490 567183848 /nfs/dbraw/zinc/18/38/48/567183848.db2.gz DOKPJBJRBXLUMN-LICLKQGHSA-N 0 0 292.766 3.899 50 30 CHEARN CCOc1ccccc1C=C1C(=O)c2ccccc2C1=O ZINC000004050655 567184703 /nfs/dbraw/zinc/18/47/03/567184703.db2.gz MGYOGWJFDFUXEH-UHFFFAOYSA-N 0 0 278.307 3.548 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccc(OC)cc2OC)cc1 ZINC000004045841 567185345 /nfs/dbraw/zinc/18/53/45/567185345.db2.gz QASJJCFLWLUQLE-YRNVUSSQSA-N 0 0 298.338 3.609 50 30 biogenic CHEARN C=CCCC(=O)N1CCS[C@H](c2ccccc2F)CC1 ZINC000219079813 567191292 /nfs/dbraw/zinc/19/12/92/567191292.db2.gz SDAZHCMTBLIMNH-HNNXBMFYSA-N 0 0 293.407 3.799 50 30 CHEARN CCOc1ccc(/C=N/c2cccc(C#N)c2)cc1 ZINC000000054627 567817122 /nfs/dbraw/zinc/81/71/22/567817122.db2.gz YASXJJMSHJKBFZ-LDADJPATSA-N 0 0 250.301 3.708 50 30 CHEARN Cc1cccc(NC(=S)N/N=C/c2ccccc2C)c1 ZINC000000065645 567817286 /nfs/dbraw/zinc/81/72/86/567817286.db2.gz AZBKLGLUVCRIQG-GZTJUZNOSA-N 0 0 283.400 3.624 50 30 CHEARN CCOc1ccccc1/C=N/c1cccc([N+](=O)[O-])c1 ZINC000000065610 567817297 /nfs/dbraw/zinc/81/72/97/567817297.db2.gz VJXOIVWDAJNLQB-LFIBNONCSA-N 0 0 270.288 3.744 50 30 CHEARN CCOc1ccc(/N=C/c2ccc([N+](=O)[O-])s2)cc1 ZINC000000065027 567817414 /nfs/dbraw/zinc/81/74/14/567817414.db2.gz VIOAMLZLMXNMNS-NTEUORMPSA-N 0 0 276.317 3.806 50 30 CHEARN COc1ccc2cc(Br)ccc2c1CC#N ZINC000000105383 567818434 /nfs/dbraw/zinc/81/84/34/567818434.db2.gz GZBQPAVETVFEEX-UHFFFAOYSA-N 0 0 276.133 3.677 50 30 CHEARN CN(C)/C=C/C(=O)c1ccc(-c2ccccc2)cc1 ZINC000000167548 567821158 /nfs/dbraw/zinc/82/11/58/567821158.db2.gz VOZCAYLHVNCRJS-OUKQBFOZSA-N 0 0 251.329 3.612 50 30 CHEARN O=C1C(=C2SCCS2)CC/C1=C\c1ccco1 ZINC000000338648 567825666 /nfs/dbraw/zinc/82/56/66/567825666.db2.gz OPFICVSKLZYRML-CMDGGOBGSA-N 0 0 264.371 3.718 50 30 CHEARN Cn1c2ccccc2n(/N=C/c2ccccc2)c1=S ZINC000000348769 567826432 /nfs/dbraw/zinc/82/64/32/567826432.db2.gz LCVQUCFXDYKUMQ-LFIBNONCSA-N 0 0 267.357 3.591 50 30 CHEARN O=C(C=CNc1cc(Cl)ccc1O)c1ccccc1 ZINC000000436538 567830023 /nfs/dbraw/zinc/83/00/23/567830023.db2.gz XEYLZRUMMNMJLW-CMDGGOBGSA-N 0 0 273.719 3.854 50 30 CHEARN O=C(C=CNc1ccccc1O)c1ccc(Cl)cc1 ZINC000000447853 567830692 /nfs/dbraw/zinc/83/06/92/567830692.db2.gz CWNWAIBJJGRRSJ-MDZDMXLPSA-N 0 0 273.719 3.854 50 30 CHEARN CC1(C)CC(=O)C(C(=O)c2ccccc2)=C(N2CCCC2)C1 ZINC000000460310 567831213 /nfs/dbraw/zinc/83/12/13/567831213.db2.gz QTEWLBZTFWRRNR-UHFFFAOYSA-N 0 0 297.398 3.608 50 30 CHEARN Cc1cc(O)ccc1NC=CC(=O)c1ccc(F)cc1 ZINC000000466511 567831603 /nfs/dbraw/zinc/83/16/03/567831603.db2.gz QDJSZFOYSAIBBU-CMDGGOBGSA-N 0 0 271.291 3.648 50 30 CHEARN CC(C)(C)C(=O)C=CNc1ccc(Br)cc1 ZINC000000465283 567831738 /nfs/dbraw/zinc/83/17/38/567831738.db2.gz QHTANYDUSYXBCK-CMDGGOBGSA-N 0 0 282.181 3.990 50 30 CHEARN C=CCc1cccc(/C=N/c2ccc3nccnc3c2)c1O ZINC000000492840 567832911 /nfs/dbraw/zinc/83/29/11/567832911.db2.gz UMVMEHSXZQMRKX-CIAFOILYSA-N 0 0 289.338 3.815 50 30 CHEARN S=C(N/N=C/c1cccc(Cl)c1)Nc1ccccc1 ZINC000000491651 567833052 /nfs/dbraw/zinc/83/30/52/567833052.db2.gz RJZBNHSZKMBFMF-MHWRWJLKSA-N 0 0 289.791 3.661 50 30 CHEARN CN(C)/C=C1\C(=O)c2c(cccc2F)[C@@H]1c1ccccc1 ZINC000001396648 567837199 /nfs/dbraw/zinc/83/71/99/567837199.db2.gz KNDUVQUJNYWREQ-QBOMHBFWSA-N 0 0 281.330 3.599 50 30 CHEARN C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C ZINC000001845836 567843516 /nfs/dbraw/zinc/84/35/16/567843516.db2.gz XRSMAKAYKVRPSA-UHFFFAOYSA-N 0 0 254.120 3.900 50 30 CHEARN Cc1ccc(/N=C/c2ccc3c(c2)OCO3)c(C)c1 ZINC000002164428 567844932 /nfs/dbraw/zinc/84/49/32/567844932.db2.gz FUWRIUPTVUIZLW-RQZCQDPDSA-N 0 0 253.301 3.783 50 30 CHEARN CCCCCCCCc1c(C)[nH]c(=S)[nH]c1=O ZINC000002861257 567849905 /nfs/dbraw/zinc/84/99/05/567849905.db2.gz ABHQPVVOIAYLIM-UHFFFAOYSA-N 0 0 254.399 3.644 50 30 CHEARN CCc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000003123338 567851527 /nfs/dbraw/zinc/85/15/27/567851527.db2.gz TUHCDAQGXWPXSE-UHFFFAOYSA-N 0 0 262.308 3.712 50 30 CHEARN CN(C)c1ccc([C@H]2O[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000003121386 567851701 /nfs/dbraw/zinc/85/17/01/567851701.db2.gz XNADSOQHMLVBEF-HDICACEKSA-N 0 0 282.387 3.631 50 30 CHEARN Cc1cc(C)c(-c2csc(NC(=O)CC#N)n2)cc1C ZINC000003887031 567854188 /nfs/dbraw/zinc/85/41/88/567854188.db2.gz NWUVZUGPKNSVGU-UHFFFAOYSA-N 0 0 285.372 3.588 50 30 CHEARN O=C(/C=C/c1cccc(O)c1)c1ccc(Cl)cc1 ZINC000003884023 567854272 /nfs/dbraw/zinc/85/42/72/567854272.db2.gz VXUPKQBNHDLETK-RUDMXATFSA-N 0 0 258.704 3.942 50 30 CHEARN CC(C)(C)c1ccc(-c2csc(NC(=O)CC#N)n2)cc1 ZINC000003887097 567854376 /nfs/dbraw/zinc/85/43/76/567854376.db2.gz CISSQWUNYCOLRA-UHFFFAOYSA-N 0 0 299.399 3.960 50 30 CHEARN Cc1[nH]c(=O)c(C(=O)/C=C/c2cccs2)c2c1CCCC2 ZINC000003998115 567854806 /nfs/dbraw/zinc/85/48/06/567854806.db2.gz QNCCWKHIPGYVMS-CMDGGOBGSA-N 0 0 299.395 3.520 50 30 CHEARN CSc1sc(/C(C)=N\O)c2c1/C(=N\O)CC(C)(C)C2 ZINC000004349813 567856844 /nfs/dbraw/zinc/85/68/44/567856844.db2.gz PGUDFDNJOORXQR-VHACCUCUSA-N 0 0 298.433 3.819 50 30 CHEARN COC(=O)c1sccc1N=NCc1cccc(Cl)c1 ZINC000004324067 567856876 /nfs/dbraw/zinc/85/68/76/567856876.db2.gz JQWSNHBSSJXXKQ-OVCLIPMQSA-N 0 0 294.763 3.634 50 30 CHEARN CSc1scc2c1/C(=N/OC(C)=O)CC(C)(C)C2 ZINC000004350450 567857118 /nfs/dbraw/zinc/85/71/18/567857118.db2.gz PAGWNDPXTLZSNI-GXDHUFHOSA-N 0 0 283.418 3.710 50 30 CHEARN Clc1ccccc1CN=Nc1nc2c(s1)CCCC2 ZINC000004419804 567857484 /nfs/dbraw/zinc/85/74/84/567857484.db2.gz WWCLQNCIACIDSZ-CXUHLZMHSA-N 0 0 291.807 3.543 50 30 CHEARN CC(C)N(CCC#N)C(=S)Nc1ccc(Cl)cc1 ZINC000004395034 567857494 /nfs/dbraw/zinc/85/74/94/567857494.db2.gz LYTYUSNATPIJOB-UHFFFAOYSA-N 0 0 281.812 3.661 50 30 CHEARN CC(=CC(=O)c1ccccc1)Nc1cc(F)c(F)cc1N ZINC000012378709 567863152 /nfs/dbraw/zinc/86/31/52/567863152.db2.gz PYTRABOOQLGGED-JXMROGBWSA-N 0 0 288.297 3.746 50 30 CHEARN C#CCn1c2ccccc2nc1COc1ccc(Cl)cc1 ZINC000004385624 567864442 /nfs/dbraw/zinc/86/44/42/567864442.db2.gz DVZDEFDDBNPVKC-UHFFFAOYSA-N 0 0 296.757 3.902 50 30 CHEARN CC1(C)[C@@]2(C(=O)Nc3ccccc3)CC[C@]1(C)/C(=N/O)C2 ZINC000013146554 567865168 /nfs/dbraw/zinc/86/51/68/567865168.db2.gz GMDDGXQMEVEING-YVPLBCMISA-N 0 0 286.375 3.672 50 30 CHEARN CC(C)NC(=S)NN=C1c2ccccc2-c2ccccc21 ZINC000013686914 567867132 /nfs/dbraw/zinc/86/71/32/567867132.db2.gz FFGRYKWOECJZEZ-UHFFFAOYSA-N 0 0 295.411 3.703 50 30 CHEARN Cc1noc2c1[C@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000013719797 567867317 /nfs/dbraw/zinc/86/73/17/567867317.db2.gz INAYZKGIHICFGG-HNNXBMFYSA-N 0 0 280.327 3.548 50 30 CHEARN COc1ccc(C(=O)C=CNc2ccc(Cl)cn2)cc1 ZINC000015686660 567870916 /nfs/dbraw/zinc/87/09/16/567870916.db2.gz VUOMUILJHFCMCD-HJWRWDBZSA-N 0 0 288.734 3.552 50 30 CHEARN N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC1 ZINC000032904312 567871072 /nfs/dbraw/zinc/87/10/72/567871072.db2.gz MIKHDHVKIFILMA-UHFFFAOYSA-N 0 0 294.379 3.555 50 30 CHEARN C(=Nc1nc[nH]n1)c1c2ccccc2cc2ccccc21 ZINC000018157165 567876488 /nfs/dbraw/zinc/87/64/88/567876488.db2.gz BJMRXRMSJPSHIH-VCHYOVAHSA-N 0 0 272.311 3.862 50 30 CHEARN O=C1c2ccccc2CC/C1=C/c1cccc2c1OCO2 ZINC000019808781 567879268 /nfs/dbraw/zinc/87/92/68/567879268.db2.gz YIDJKORJTQLLSW-RAXLEYEMSA-N 0 0 278.307 3.628 50 30 CHEARN COc1cc(/C=C/C(C)=O)ccc1OCc1ccccc1 ZINC000062153318 567881036 /nfs/dbraw/zinc/88/10/36/567881036.db2.gz PBIKLALBZAUAAP-CMDGGOBGSA-N 0 0 282.339 3.876 50 30 CHEARN CCCCc1nc(C)c(C#N)c2cc(OC)c(OC)cc21 ZINC000013223615 567882292 /nfs/dbraw/zinc/88/22/92/567882292.db2.gz WQVBCJCJRZCYIL-UHFFFAOYSA-N 0 0 284.359 3.775 50 30 CHEARN Cc1ccc(N(CCC#N)C(=O)c2cccnc2)cc1Cl ZINC000072288702 567884200 /nfs/dbraw/zinc/88/42/00/567884200.db2.gz MMTKVGLZTHBYNP-UHFFFAOYSA-N 0 0 299.761 3.604 50 30 CHEARN Cc1ccc(-c2csc(N=NCc3ccccc3)n2)cc1 ZINC000032511900 567885967 /nfs/dbraw/zinc/88/59/67/567885967.db2.gz ONPTVNXRVFJCCX-WQRHYEAKSA-N 0 0 293.395 3.986 50 30 CHEARN CC[C@@]1(C)C[C@](CC#N)(c2ccc(OC)cc2)CCO1 ZINC000000367099 567887367 /nfs/dbraw/zinc/88/73/67/567887367.db2.gz DKPMIFWUXBXVHV-DLBZAZTESA-N 0 0 273.376 3.826 50 30 CHEARN C=CCNc1nc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000001776893 567887791 /nfs/dbraw/zinc/88/77/91/567887791.db2.gz JLEQKBVUBJJURN-UHFFFAOYSA-N 0 0 291.354 3.903 50 30 CHEARN CC(C)(C)c1ccc(-c2nn(CCC#N)cc2/C=N/O)cc1 ZINC000002820338 567887984 /nfs/dbraw/zinc/88/79/84/567887984.db2.gz HKVLNJGQXLNCLL-YBFXNURJSA-N 0 0 296.374 3.569 50 30 CHEARN Cc1cc(C)cc(CCC(=O)NC2(C#N)CCCCC2)c1 ZINC000065397235 567899135 /nfs/dbraw/zinc/89/91/35/567899135.db2.gz FQHAQQRTLNZFLW-UHFFFAOYSA-N 0 0 284.403 3.579 50 30 CHEARN O/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000004678255 567901530 /nfs/dbraw/zinc/90/15/30/567901530.db2.gz JBYOZROPLBDRKO-GIJQJNRQSA-N 0 0 268.291 3.637 50 30 CHEARN O=C(/C=C\c1csc([N+](=O)[O-])c1)c1cccs1 ZINC000097179510 567905697 /nfs/dbraw/zinc/90/56/97/567905697.db2.gz AAUINNDJQFEKJE-ARJAWSKDSA-N 0 0 265.315 3.614 50 30 CHEARN CCc1nc(SCC(=O)C(C)(C)C)c(C#N)cc1C ZINC000000049867 567905832 /nfs/dbraw/zinc/90/58/32/567905832.db2.gz XGBZVFBGUMOHOY-UHFFFAOYSA-N 0 0 276.405 3.531 50 30 CHEARN O=C(C=CNc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000100409224 567913201 /nfs/dbraw/zinc/91/32/01/567913201.db2.gz ZKCOFNGKINQHNL-AATRIKPKSA-N 0 0 299.170 3.642 50 30 CHEARN CCCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O ZINC000100710244 567913706 /nfs/dbraw/zinc/91/37/06/567913706.db2.gz MPBQHYPNCVZYKG-UHFFFAOYSA-N 0 0 293.370 3.694 50 30 CHEARN N#Cc1cc([N+](=O)[O-])cc2c1Nc1ccccc1S2 ZINC000071783429 567915065 /nfs/dbraw/zinc/91/50/65/567915065.db2.gz AQNICWSGFRZUEB-UHFFFAOYSA-N 0 0 269.285 3.675 50 30 CHEARN CCOc1ccccc1NC1=CC(=O)CC(C)(C)C1 ZINC000000186205 567924686 /nfs/dbraw/zinc/92/46/86/567924686.db2.gz SDXDOOPSNKOHQV-UHFFFAOYSA-N 0 0 259.349 3.770 50 30 CHEARN COc1ccc(/C=C2\Cc3ccccc3C2=O)c(OC)c1 ZINC000000247163 567925487 /nfs/dbraw/zinc/92/54/87/567925487.db2.gz ZFNBHDZFYPETHF-GXDHUFHOSA-N 0 0 280.323 3.526 50 30 CHEARN N#Cc1ccc2ccccc2c1NC(=O)c1ccccc1 ZINC000000254822 567925666 /nfs/dbraw/zinc/92/56/66/567925666.db2.gz WNBPVFWMENSEPB-UHFFFAOYSA-N 0 0 272.307 3.964 50 30 CHEARN CC(Nc1ccc(C)cc1)=C1C(=O)CC(C)(C)CC1=O ZINC000100727721 567928421 /nfs/dbraw/zinc/92/84/21/567928421.db2.gz VBSLKPBGALBECA-UHFFFAOYSA-N 0 0 271.360 3.639 50 30 CHEARN COc1ccc(C=NNc2cccc3cccnc32)cc1 ZINC000252620531 567930057 /nfs/dbraw/zinc/93/00/57/567930057.db2.gz MFZBMJHWTLEYSE-UHFFFAOYSA-N 0 0 277.327 3.689 50 30 CHEARN C=CCn1c(=S)[nH]nc1[C@H](C)Oc1cccc(Cl)c1 ZINC000002526653 567930417 /nfs/dbraw/zinc/93/04/17/567930417.db2.gz VRSMSCVGAYKVFE-VIFPVBQESA-N 0 0 295.795 3.920 50 30 CHEARN N#Cc1ccc([C@H]2Nc3cc(Cl)ccc3O2)cc1 ZINC000000090694 567931617 /nfs/dbraw/zinc/93/16/17/567931617.db2.gz SURMLYJWLLIAHN-AWEZNQCLSA-N 0 0 256.692 3.715 50 30 CHEARN O=Cc1cccc(F)c1OC(C(F)(F)F)C(F)(F)F ZINC000169725237 567939521 /nfs/dbraw/zinc/93/95/21/567939521.db2.gz LGWMZNAXKVYFBS-UHFFFAOYSA-N 0 0 290.134 3.510 50 30 CHEARN N#Cc1c(=O)c2sc3ccccc3c2n2ccccc12 ZINC000000497196 567940232 /nfs/dbraw/zinc/94/02/32/567940232.db2.gz YJFRCXDOJJBRBI-UHFFFAOYSA-N 0 0 276.320 3.539 50 30 CHEARN COC(=O)c1ccc(NC=CC(=O)c2ccc(C)cc2)cc1 ZINC000102784435 567942250 /nfs/dbraw/zinc/94/22/50/567942250.db2.gz DMXDXAKGPUCXRK-VAWYXSNFSA-N 0 0 295.338 3.590 50 30 CHEARN Cc1cccc(/N=C/c2cc3cc(C)ccc3[nH]c2=O)c1 ZINC000000523611 567942432 /nfs/dbraw/zinc/94/24/32/567942432.db2.gz OWFKBQPJQHENNW-YBFXNURJSA-N 0 0 276.339 3.896 50 30 CHEARN Cc1ccccc1NC=CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000104255295 567943447 /nfs/dbraw/zinc/94/34/47/567943447.db2.gz MWVNWOBEONJHQL-ZHACJKMWSA-N 0 0 282.299 3.712 50 30 CHEARN Cc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)s1 ZINC000000572179 567943638 /nfs/dbraw/zinc/94/36/38/567943638.db2.gz NUYLCNNULPYRPT-SFQUDFHCSA-N 0 0 286.400 3.644 50 30 CHEARN c1sc(N=NCc2ccncc2)nc1-c1ccccc1 ZINC000012123408 567945740 /nfs/dbraw/zinc/94/57/40/567945740.db2.gz MDQRZVTXYYTTLF-UHFFFAOYSA-N 0 0 280.356 3.651 50 30 CHEARN COc1ccc(OC)c(C(=O)C=CNc2ccc(C)cc2)c1 ZINC000044843357 567946015 /nfs/dbraw/zinc/94/60/15/567946015.db2.gz OQTYNSDZJOWYKR-ZHACJKMWSA-N 0 0 297.354 3.821 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2cnc(-c3ccccc3)nc2)o1 ZINC000048311176 567946401 /nfs/dbraw/zinc/94/64/01/567946401.db2.gz QDTVLIRZBQQDCI-CMDGGOBGSA-N 0 0 290.322 3.941 50 30 CHEARN O=C(C=CNc1cc(Cl)ccc1O)c1cccs1 ZINC000100460736 570258925 /nfs/dbraw/zinc/25/89/25/570258925.db2.gz IYSOXNORXGPPLQ-WAYWQWQTSA-N 0 0 279.748 3.916 50 30 CHEARN O=C(/C=C\c1cccc(Br)c1)c1ccc[nH]1 ZINC000033458086 570266975 /nfs/dbraw/zinc/26/69/75/570266975.db2.gz LCYMZLZXIPGGPA-SREVYHEPSA-N 0 0 276.133 3.673 50 30 CHEARN COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1O ZINC000000137322 570269195 /nfs/dbraw/zinc/26/91/95/570269195.db2.gz FKOQCLIJNODUAK-OQLLNIDSSA-N 0 0 284.336 3.730 50 30 CHEARN C=C(C)CSc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000000495570 570283026 /nfs/dbraw/zinc/28/30/26/570283026.db2.gz VWZHFFPQPUMQPP-UHFFFAOYSA-N 0 0 291.445 3.821 50 30 CHEARN COc1ccc(C(=O)C=CNc2cccc(C)c2)cc1OC ZINC000102965166 570285827 /nfs/dbraw/zinc/28/58/27/570285827.db2.gz RLDLZUVPKFWQFF-KTKRTIGZSA-N 0 0 297.354 3.821 50 30 CHEARN Cc1c(C#N)c2ccccc2n1CCOc1ccccc1 ZINC000000555453 570287727 /nfs/dbraw/zinc/28/77/27/570287727.db2.gz WTGUPAFNHMXSRM-UHFFFAOYSA-N 0 0 276.339 3.900 50 30 CHEARN C#CCCCCCC(=O)N(C)[C@H](C)c1ccc(OC)cc1 ZINC000096001667 570317266 /nfs/dbraw/zinc/31/72/66/570317266.db2.gz QSOAOLSKTHSPQX-OAHLLOKOSA-N 0 0 287.403 3.798 50 30 CHEARN CCC(CC)CN(CC)C(=O)c1ccc(Cl)c(C#N)n1 ZINC000685939903 570318230 /nfs/dbraw/zinc/31/82/30/570318230.db2.gz WWUQIJPHRNLWHP-UHFFFAOYSA-N 0 0 293.798 3.505 50 30 CHEARN C=C(Br)CCc1ccc(OCC)cc1 ZINC000043208749 570331122 /nfs/dbraw/zinc/33/11/22/570331122.db2.gz NRWFOVDGLHUIGU-UHFFFAOYSA-N 0 0 255.155 3.927 50 30 CHEARN CC(=O)c1cn(Cc2ccccc2C#N)c2ccccc12 ZINC000000555216 570339779 /nfs/dbraw/zinc/33/97/79/570339779.db2.gz WCDMVXUKXWWMQA-UHFFFAOYSA-N 0 0 274.323 3.764 50 30 CHEARN C=CCNc1nc(-c2ccc(F)cc2F)c(C)s1 ZINC000014102660 570340663 /nfs/dbraw/zinc/34/06/63/570340663.db2.gz UKNMSWJFYQUHRB-UHFFFAOYSA-N 0 0 266.316 3.995 50 30 CHEARN COc1ccc([C@H](C#N)[C@H](C#N)c2ccccc2)cc1 ZINC000000397084 570342535 /nfs/dbraw/zinc/34/25/35/570342535.db2.gz BROIWEJXIAKVSL-SJORKVTESA-N 0 0 262.312 3.610 50 30 CHEARN C=CCN1C(=O)/C(=C/C(C)=C/c2ccco2)SC1=S ZINC000017022735 570345559 /nfs/dbraw/zinc/34/55/59/570345559.db2.gz ZAHPGZNQNDGXFE-RFDRRPSGSA-N 0 0 291.397 3.613 50 30 CHEARN N#CCCCSCc1csc([C@H]2CCCO2)n1 ZINC000190989438 570352885 /nfs/dbraw/zinc/35/28/85/570352885.db2.gz YUTNDPCCNUOIQZ-LLVKDONJSA-N 0 0 268.407 3.532 50 30 CHEARN N#Cc1ccc(C(=O)Nc2cc(-c3ccsc3)no2)cc1 ZINC000065153109 570359994 /nfs/dbraw/zinc/35/99/94/570359994.db2.gz LRRHCFIAXLCPCT-UHFFFAOYSA-N 0 0 295.323 3.527 50 30 CHEARN Fc1ccc(C=NC2=NNC(c3ccccc3)=CS2)cc1 ZINC000252589837 570375737 /nfs/dbraw/zinc/37/57/37/570375737.db2.gz ANTIGVMKBVGZOZ-UHFFFAOYSA-N 0 0 297.358 3.851 50 30 CHEARN CC[C@@H]1CN(C(=O)C[C@H](C)C#N)CC[C@H]1c1ccccc1 ZINC000253404809 570384992 /nfs/dbraw/zinc/38/49/92/570384992.db2.gz RWNRWUWUFCPFFM-ZMSDIMECSA-N 0 0 284.403 3.578 50 30 CHEARN N#Cc1cc2c(cc1C#N)N1CCCc3cccc(c31)O2 ZINC000000210871 570387169 /nfs/dbraw/zinc/38/71/69/570387169.db2.gz GNWQTJGOOIGMOA-UHFFFAOYSA-N 0 0 273.295 3.620 50 30 CHEARN Cc1cc(C)cc(NC(=O)Oc2ccc(C#N)cc2)c1 ZINC000000397387 570388231 /nfs/dbraw/zinc/38/82/31/570388231.db2.gz VNEQYVPYAZXXQN-UHFFFAOYSA-N 0 0 266.300 3.786 50 30 CHEARN C#Cc1cccc(NC(=O)c2ccccc2SC)c1 ZINC000012873082 570390318 /nfs/dbraw/zinc/39/03/18/570390318.db2.gz XJSXAXPBQKMNDT-UHFFFAOYSA-N 0 0 267.353 3.642 50 30 CHEARN CC(=O)c1ccc(-c2nc(C)c(C)c(C)c2C#N)cc1 ZINC000426535604 570394552 /nfs/dbraw/zinc/39/45/52/570394552.db2.gz CUQBLVJKBAVTJB-UHFFFAOYSA-N 0 0 264.328 3.748 50 30 CHEARN CC(=O)c1c(C)[nH]c(=S)c(C#N)c1C=Cc1ccccc1 ZINC000951723444 614244841 /nfs/dbraw/zinc/24/48/41/614244841.db2.gz HYOMTCORAWFZCO-HJWRWDBZSA-N 0 0 294.379 3.923 50 30 CHEARN Clc1ccc(NC2=NCCS2)c(Cl)c1Cl ZINC000013835961 1125511441 /nfs/dbraw/zinc/51/14/41/1125511441.db2.gz YFQQSZZGMUHSCL-UHFFFAOYSA-N 0 0 281.595 3.971 50 30 CHEARN CCc1cc(C(=O)N(C)Cc2cccc(C#N)c2)sc1C ZINC000025101882 1125586793 /nfs/dbraw/zinc/58/67/93/1125586793.db2.gz WCNBBONTDPLIOV-UHFFFAOYSA-N 0 0 298.411 3.763 50 30 CHEARN C[C@@H]1CCC[C@@H](C)N1N=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000885838250 1125625125 /nfs/dbraw/zinc/62/51/25/1125625125.db2.gz AGDMTVLVWTVRJX-XZHXJBFYSA-N 0 0 287.363 3.857 50 30 CHEARN O=C(/C=C/c1ccsc1)c1ccc2c(c1)CCC(=O)N2 ZINC000044966743 1127164318 /nfs/dbraw/zinc/16/43/18/1127164318.db2.gz AQRARBQPWLDEAB-ORCRQEGFSA-N 0 0 283.352 3.529 50 30 CHEARN C(=NNC1=Nc2cccc3cccc1c23)c1ccccc1 ZINC000012729240 1127917104 /nfs/dbraw/zinc/91/71/04/1127917104.db2.gz BHVRGHUCIOBZDB-UHFFFAOYSA-N 0 0 271.323 3.855 50 30 aggregator CHEARN Cn1nccc1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 ZINC000012947253 1127943899 /nfs/dbraw/zinc/94/38/99/1127943899.db2.gz XCSUEXFVKJWGTG-MDZDMXLPSA-N 0 0 268.360 3.614 50 30 CHEARN O=C1C=C(Br)/C(=C\c2ccccc2)S1 ZINC000199944660 1129227651 /nfs/dbraw/zinc/22/76/51/1129227651.db2.gz YYFALLYGOOFXFJ-UXBLZVDNSA-N 0 0 267.147 3.580 50 30 CHEARN Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(Cl)cc1 ZINC000048557449 1128716881 /nfs/dbraw/zinc/71/68/81/1128716881.db2.gz YQAPAWFBDBTLFI-FPLPWBNLSA-N 0 0 260.724 3.576 50 30 CHEARN C=CCO[C@@H](C)C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000071910822 1117850543 /nfs/dbraw/zinc/85/05/43/1117850543.db2.gz JPSOVUFBWSTJGA-ZDUSSCGKSA-N 0 0 288.391 3.571 50 30 CHEARN N#CCCCOc1cccc(/C=C\c2ccc(C#N)cn2)c1 ZINC000255025836 1117993921 /nfs/dbraw/zinc/99/39/21/1117993921.db2.gz FSMZWKXIXRCGGD-VURMDHGXSA-N 0 0 289.338 3.806 50 30 CHEARN N#Cc1cnccc1/C=C/c1c(C2CC2)nc2sccn12 ZINC000349107811 1118193636 /nfs/dbraw/zinc/19/36/36/1118193636.db2.gz KNXSYICJRVBBJC-ONEGZZNKSA-N 0 0 292.367 3.710 50 30 CHEARN COc1ccc(NCc2c(C#N)c3ccccc3n2C)cc1 ZINC000000380750 1119156822 /nfs/dbraw/zinc/15/68/22/1119156822.db2.gz FGDGHJKILOAQIA-UHFFFAOYSA-N 0 0 291.354 3.671 50 30 CHEARN CCCCCCCC(=O)N1CCCSC1=S ZINC000725376957 1119747875 /nfs/dbraw/zinc/74/78/75/1119747875.db2.gz YZUPENLCPKKLFW-UHFFFAOYSA-N 0 0 259.440 3.597 50 30 CHEARN Cc1ccc(/C=C2\COc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000013137347 1119776471 /nfs/dbraw/zinc/77/64/71/1119776471.db2.gz AHJGCGXMWVRGRT-MDWZMJQESA-N 0 0 295.294 3.562 50 30 CHEARN C=CCn1c(SCCCC)nnc1-c1ccc(O)cc1 ZINC000016552391 1119985699 /nfs/dbraw/zinc/98/56/99/1119985699.db2.gz DNECZYLGVLZSOD-UHFFFAOYSA-N 0 0 289.404 3.729 50 30 CHEARN Cc1cccc2c1OCC/C(=C/c1cccc(C#N)c1)C2=O ZINC000024987681 1120016270 /nfs/dbraw/zinc/01/62/70/1120016270.db2.gz UQPGBLZZLOFADJ-WJDWOHSUSA-N 0 0 289.334 3.916 50 30 CHEARN N#Cc1ccc(CNc2cc(F)c(F)cc2F)c(F)c1 ZINC000061094173 1120214575 /nfs/dbraw/zinc/21/45/75/1120214575.db2.gz ZNZVCGJGGBIDMO-UHFFFAOYSA-N 0 0 280.224 3.727 50 30 CHEARN COC(=O)c1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1 ZINC000033410611 1128900811 /nfs/dbraw/zinc/90/08/11/1128900811.db2.gz POMIMGJTJRPWKN-WCIBSUBMSA-N 0 0 284.286 3.508 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)o1 ZINC000014198771 1120329840 /nfs/dbraw/zinc/32/98/40/1120329840.db2.gz YWPRHGMWSSGGJR-AATRIKPKSA-N 0 0 256.301 3.807 50 30 CHEARN Cc1cccc(C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000000782899 1120977709 /nfs/dbraw/zinc/97/77/09/1120977709.db2.gz YDPCFQBXFXDBIO-UHFFFAOYSA-N 0 0 282.368 3.669 50 30 CHEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@H]2O ZINC000242649037 1121423980 /nfs/dbraw/zinc/42/39/80/1121423980.db2.gz RSIHSRDYCUFFLA-QMROVXIMSA-N 0 0 286.415 3.655 50 30 CHEARN N#Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H](c1cccc(O)c1)N2 ZINC000222351106 1121638900 /nfs/dbraw/zinc/63/89/00/1121638900.db2.gz UJAWKDAXAYUVLQ-ZTFGCOKTSA-N 0 0 292.338 3.508 50 30 CHEARN COc1cc(C#N)ccc1OC(=O)C[C@@H](C)c1ccccc1 ZINC000015988260 1124014864 /nfs/dbraw/zinc/01/48/64/1124014864.db2.gz MGNFYSIMPJYRRV-CYBMUJFWSA-N 0 0 295.338 3.666 50 30 CHEARN C=C(C)C[C@H](C)C(=O)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000585126906 1131320355 /nfs/dbraw/zinc/32/03/55/1131320355.db2.gz KXGOYPJTOUKQEB-GOEBONIOSA-N 0 0 284.403 3.738 50 30 CHEARN CCCc1nc(NC(C)=O)c(C#N)c(-c2ccco2)c1CC ZINC000000066876 1125418610 /nfs/dbraw/zinc/41/86/10/1125418610.db2.gz IBMGMBMDZRTWPV-UHFFFAOYSA-N 0 0 297.358 3.687 50 30 CHEARN N#Cc1cccc(NC(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC000097674135 1129232963 /nfs/dbraw/zinc/23/29/63/1129232963.db2.gz GPKWBRCQEZEBBE-TWGQIWQCSA-N 0 0 282.730 3.864 50 30 CHEARN CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(C)s2)c1 ZINC000097993074 1129636399 /nfs/dbraw/zinc/63/63/99/1129636399.db2.gz GFKLLVOSSBALBY-HJWRWDBZSA-N 0 0 285.368 3.911 50 30 CHEARN CCOc1ccc(C(=O)/C=C\c2ccc(C#N)cc2)cc1 ZINC000098053800 1129642003 /nfs/dbraw/zinc/64/20/03/1129642003.db2.gz TZGNEVUKOAPSFS-GHXNOFRVSA-N 0 0 277.323 3.853 50 30 CHEARN Cc1ccnc(N=Cc2c(O)ccc3ccccc32)c1 ZINC000254350134 1129689752 /nfs/dbraw/zinc/68/97/52/1129689752.db2.gz JXLZYMPHURMGGE-UHFFFAOYSA-N 0 0 262.312 3.999 50 30 CHEARN CC(C)(C)c1ccc(-c2nn(CCC#N)cc2C=NO)cc1 ZINC000254392867 1129691606 /nfs/dbraw/zinc/69/16/06/1129691606.db2.gz HKVLNJGQXLNCLL-UHFFFAOYSA-N 0 0 296.374 3.569 50 30 CHEARN N#Cc1ccc(CON=Cc2ccc(Cl)cc2)cc1 ZINC000254491797 1129698010 /nfs/dbraw/zinc/69/80/10/1129698010.db2.gz NNNPQGZAQMRBBA-UHFFFAOYSA-N 0 0 270.719 3.762 50 30 CHEARN Cc1cc(C)nc(N=NCc2ccc(C(F)(F)F)cc2)n1 ZINC000254508291 1129699703 /nfs/dbraw/zinc/69/97/03/1129699703.db2.gz JDYCFHVZYSWQPR-UHFFFAOYSA-N 0 0 294.280 3.558 50 30 CHEARN FC(F)Oc1ccc(N=C2SC[C@@H]3CCCCN23)cc1 ZINC000254737071 1129707187 /nfs/dbraw/zinc/70/71/87/1129707187.db2.gz XFWMSFHUQYHVCQ-NSHDSACASA-N 0 0 298.358 3.877 50 30 CHEARN C(=N/c1ccc(/N=C/c2ccccn2)cc1)\c1ccccn1 ZINC000000436502 1129755475 /nfs/dbraw/zinc/75/54/75/1129755475.db2.gz KLFMCRJCCXKCAR-JFMUQQRKSA-N 0 0 286.338 3.978 50 30 CHEARN COc1cccc2c1CC[C@H]2Nc1cccc(C#N)c1 ZINC000584908577 1131198738 /nfs/dbraw/zinc/19/87/38/1131198738.db2.gz GRYOFHUTANHFTA-MRXNPFEDSA-N 0 0 264.328 3.666 50 30 CHEARN CC(C)c1nc([C@@H](C)Nc2ncccc2C#N)cs1 ZINC000095960921 185043477 /nfs/dbraw/zinc/04/34/77/185043477.db2.gz DMJBANACWVFDKB-SNVBAGLBSA-N 0 0 272.377 3.706 50 30 CHEARN CC(=O)Nc1cccc(C(=O)/C=C\c2sccc2C)c1 ZINC000096766883 185112078 /nfs/dbraw/zinc/11/20/78/185112078.db2.gz KGVJSBGULDXWIU-SREVYHEPSA-N 0 0 285.368 3.911 50 30 CHEARN N#Cc1ccc(C(=O)/C=C\c2c(F)cccc2F)cc1 ZINC000096766313 185112092 /nfs/dbraw/zinc/11/20/92/185112092.db2.gz IFUBKQIEBMBHHV-HJWRWDBZSA-N 0 0 269.250 3.733 50 30 CHEARN COc1cccc2cc(C(=O)/C=C\c3cccnc3)oc21 ZINC000096765881 185112411 /nfs/dbraw/zinc/11/24/11/185112411.db2.gz KDVHIKAORITSQD-FPLPWBNLSA-N 0 0 279.295 3.733 50 30 CHEARN C=C(C)CSc1n[nH]c(C=Cc2ccc(F)cc2)n1 ZINC000096939453 185133125 /nfs/dbraw/zinc/13/31/25/185133125.db2.gz IKDOMHGUBZCYCV-YVMONPNESA-N 0 0 275.352 3.782 50 30 CHEARN O=C1c2cccn2C/C1=C/c1cccc(C(F)(F)F)c1 ZINC000096941982 185134054 /nfs/dbraw/zinc/13/40/54/185134054.db2.gz IJYLVNPEFBXOIO-XFFZJAGNSA-N 0 0 277.245 3.787 50 30 CHEARN CCCCCCCNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000098045692 185676895 /nfs/dbraw/zinc/67/68/95/185676895.db2.gz KMMMAWBSOYNAOJ-UHFFFAOYSA-N 0 0 288.391 3.877 50 30 CHEARN O/N=C/Cc1[nH]c2ccccc2c1-c1ccccc1 ZINC000100009525 185701470 /nfs/dbraw/zinc/70/14/70/185701470.db2.gz LCFWMPWBWSBBJX-GZTJUZNOSA-N 0 0 250.301 3.837 50 30 CHEARN COC(=O)c1cccc(NC=C(C(C)=O)c2ccccc2)c1 ZINC000100278857 185710059 /nfs/dbraw/zinc/71/00/59/185710059.db2.gz ZYPULQPOHGTJEI-ATVHPVEESA-N 0 0 295.338 3.515 50 30 CHEARN COC(=O)Nc1cccc(NCC(C)(C)CCC#N)c1 ZINC000089761654 179862321 /nfs/dbraw/zinc/86/23/21/179862321.db2.gz HPGUBRUKZXGJQG-UHFFFAOYSA-N 0 0 275.352 3.607 50 30 CHEARN CCOc1cc(Cl)ccc1NC(=O)C1(C#N)CCCC1 ZINC000089990940 179900195 /nfs/dbraw/zinc/90/01/95/179900195.db2.gz NNFURSVAVQCEBE-UHFFFAOYSA-N 0 0 292.766 3.761 50 30 CHEARN N#Cc1cc(Cl)cc2cc(Br)cnc12 ZINC000238533899 189900770 /nfs/dbraw/zinc/90/07/70/189900770.db2.gz PXPAVASZXYQFLA-UHFFFAOYSA-N 0 0 267.513 3.522 50 30 CHEARN N#CCc1c[nH]c2cc(OCc3ccccc3)ccc12 ZINC000002586046 169814554 /nfs/dbraw/zinc/81/45/54/169814554.db2.gz HJHSSPILWGQJSG-UHFFFAOYSA-N 0 0 262.312 3.813 50 30 in-vitro CHEARN N#Cc1ccccc1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000065019 169523550 /nfs/dbraw/zinc/52/35/50/169523550.db2.gz MQZKQAUTFRFIEF-RQZCQDPDSA-N 0 0 285.690 3.870 50 30 CHEARN C#Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000000100245 169536058 /nfs/dbraw/zinc/53/60/58/169536058.db2.gz ZKBCFKKNKKMUEN-UHFFFAOYSA-N 0 0 255.704 3.574 50 30 CHEARN COc1ccc2cc(C#N)c(Nc3cccc(F)c3)nc2c1 ZINC000000269882 169593091 /nfs/dbraw/zinc/59/30/91/169593091.db2.gz BIECTEVBDIYSPM-UHFFFAOYSA-N 0 0 293.301 3.998 50 30 CHEARN Cc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000000273833 169594500 /nfs/dbraw/zinc/59/45/00/169594500.db2.gz IWTNJOYJACMUDN-CXUHLZMHSA-N 0 0 258.252 3.793 50 30 CHEARN COc1ccc(C(=O)C=CNc2ccc(F)cc2)cc1 ZINC000000305731 169603468 /nfs/dbraw/zinc/60/34/68/169603468.db2.gz FWZHBPYNWYNLQN-ZHACJKMWSA-N 0 0 271.291 3.643 50 30 CHEARN CC[C@]1(C)C[C@@](CC#N)(c2ccc(OC)cc2)CCO1 ZINC000000367105 169619833 /nfs/dbraw/zinc/61/98/33/169619833.db2.gz DKPMIFWUXBXVHV-SJORKVTESA-N 0 0 273.376 3.826 50 30 CHEARN C=CCn1c(SC(C)C)nc2sc(C)c(C)c2c1=O ZINC000000376749 169623300 /nfs/dbraw/zinc/62/33/00/169623300.db2.gz NXCZFZSCOMRYDO-UHFFFAOYSA-N 0 0 294.445 3.761 50 30 CHEARN C=CCN(CC=C)C(=O)Nc1c(C)cccc1CC ZINC000000397155 169629925 /nfs/dbraw/zinc/62/99/25/169629925.db2.gz DYNHPEOKMMCNRG-UHFFFAOYSA-N 0 0 258.365 3.763 50 30 CHEARN CCc1ccc(C(=O)C=CNc2ccc(O)cc2)cc1 ZINC000000463530 169647265 /nfs/dbraw/zinc/64/72/65/169647265.db2.gz RLRGUBPRWWXREV-VAWYXSNFSA-N 0 0 267.328 3.763 50 30 CHEARN C=C(C)COc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000004027728 184528820 /nfs/dbraw/zinc/52/88/20/184528820.db2.gz DLVFLXAILXHLAT-UHFFFAOYSA-N 0 0 270.328 3.627 50 30 biogenic CHEARN COc1ccc([C@H](CC#N)[C@H]2CCOC(C)(C)C2)cc1 ZINC000000080256 533178008 /nfs/dbraw/zinc/17/80/08/533178008.db2.gz RFPAQGZYPUHWHW-HOCLYGCPSA-N 0 0 273.376 3.898 50 30 CHEARN N#Cc1cnc(SCc2ccc(C(F)(F)F)cc2)cn1 ZINC000359737917 256848273 /nfs/dbraw/zinc/84/82/73/256848273.db2.gz FMIQRHUVUQFLQZ-UHFFFAOYSA-N 0 0 295.289 3.659 50 30 CHEARN N#Cc1cccc(NC(=O)/C=C/c2ccccc2Cl)c1 ZINC000000579418 169672383 /nfs/dbraw/zinc/67/23/83/169672383.db2.gz ZGTLGHBVGXFDCQ-CMDGGOBGSA-N 0 0 282.730 3.864 50 30 CHEARN O=C(C=CNc1cccc(Br)c1)c1ccco1 ZINC000000616357 169675746 /nfs/dbraw/zinc/67/57/46/169675746.db2.gz UCPQZLPRACXZIT-VOTSOKGWSA-N 0 0 292.132 3.851 50 30 CHEARN C=C(Cl)COc1cc(C)cc2oc(=O)cc(CC)c12 ZINC000001164452 169691027 /nfs/dbraw/zinc/69/10/27/169691027.db2.gz BGEHZHSTYYQOOZ-UHFFFAOYSA-N 0 0 278.735 3.795 50 30 CHEARN N#Cc1nc(-c2ccccc2)oc1Nc1ccccc1 ZINC000001512968 169711105 /nfs/dbraw/zinc/71/11/05/169711105.db2.gz OIBDOQOYIDLXBY-UHFFFAOYSA-N 0 0 261.284 3.957 50 30 CHEARN C#C[C@@](O)(c1ccc(OCCC)c(Cl)c1)C(C)(C)C ZINC000002167688 169778618 /nfs/dbraw/zinc/77/86/18/169778618.db2.gz YERNUDHWPHTCGA-MRXNPFEDSA-N 0 0 280.795 3.996 50 30 CHEARN C[C@]1(C(=O)/C=C/c2ccccc2)O[C@@H]1c1ccccc1 ZINC000002326818 169785842 /nfs/dbraw/zinc/78/58/42/169785842.db2.gz BUFDWJZETKCZNJ-CONOYDDESA-N 0 0 264.324 3.799 50 30 CHEARN N#Cc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000003219928 169868902 /nfs/dbraw/zinc/86/89/02/169868902.db2.gz APPTVBLYAHHDHZ-VGOFMYFVSA-N 0 0 280.714 3.704 50 30 CHEARN C=CCc1cc(OC)ccc1OCc1ccc(C#N)cc1 ZINC000003412610 169886283 /nfs/dbraw/zinc/88/62/83/169886283.db2.gz FQXUNHQPWFMJRW-UHFFFAOYSA-N 0 0 279.339 3.874 50 30 CHEARN Cc1ccc(Nc2nnc(S[C@H](C)C#N)s2)cc1 ZINC000003469884 169890239 /nfs/dbraw/zinc/89/02/39/169890239.db2.gz REFZYTNQSUBOFA-SECBINFHSA-N 0 0 276.390 3.594 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC ZINC000003921798 169924983 /nfs/dbraw/zinc/92/49/83/169924983.db2.gz LSHZPTCZLWATBZ-CSKARUKUSA-N 0 0 268.312 3.600 50 30 CHEARN C#CC1(NC(=O)Nc2ccc(Cl)cc2)CCCCC1 ZINC000004108923 169933436 /nfs/dbraw/zinc/93/34/36/169933436.db2.gz CLIFRLBRZIMMFD-UHFFFAOYSA-N 0 0 276.767 3.798 50 30 CHEARN Cc1cccc(/C=N\OCc2ccc(Cl)cc2)n1 ZINC000004578526 169986025 /nfs/dbraw/zinc/98/60/25/169986025.db2.gz RPBADOCBWRSVJH-SXGWCWSVSA-N 0 0 260.724 3.594 50 30 CHEARN CSc1ccc(CN=Nc2nncc3ccccc32)cc1 ZINC000004659170 169994357 /nfs/dbraw/zinc/99/43/57/169994357.db2.gz HXNOSPRWRIQFFT-LICLKQGHSA-N 0 0 294.383 3.798 50 30 CHEARN C[C@@H](CN=Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000004695826 170000410 /nfs/dbraw/zinc/00/04/10/170000410.db2.gz KPKLTYVCSMKXQN-JASJWYONSA-N 0 0 269.304 3.796 50 30 CHEARN CSc1ccc(CN=Nc2nc(C)c(C)s2)cc1 ZINC000004699985 170001434 /nfs/dbraw/zinc/00/14/34/170001434.db2.gz MDXCVINGKXVNGM-RIYZIHGNSA-N 0 0 277.418 3.928 50 30 CHEARN CCSC1=N/C(=C\c2ccc(OC)c(C)c2)C(=O)S1 ZINC000004755256 170011694 /nfs/dbraw/zinc/01/16/94/170011694.db2.gz XAFSWDRVVWSDKY-FLIBITNWSA-N 0 0 293.413 3.727 50 30 CHEARN Brc1ccc(C=NNc2ccccc2)cc1 ZINC000004766710 170014173 /nfs/dbraw/zinc/01/41/73/170014173.db2.gz IAKOZUYHSAFZOA-XNTDXEJSSA-N 0 0 275.149 3.895 50 30 CHEARN CC(C)c1nc(Cl)c(C#N)c2c1COC(C)(C)C2 ZINC000004785571 170017183 /nfs/dbraw/zinc/01/71/83/170017183.db2.gz NFFYKIQDOBATMV-UHFFFAOYSA-N 0 0 264.756 3.581 50 30 CHEARN CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000004807294 170019975 /nfs/dbraw/zinc/01/99/75/170019975.db2.gz GCTMXWUUEYFTEL-PLNGDYQASA-N 0 0 296.182 3.876 50 30 CHEARN COc1cc(C#N)cc(Cl)c1OCc1ccccc1 ZINC000004810797 170021014 /nfs/dbraw/zinc/02/10/14/170021014.db2.gz GHYKALKDHKCLBI-UHFFFAOYSA-N 0 0 273.719 3.799 50 30 CHEARN COc1ccc(C(=O)C=C(C)Nc2ccccc2OC)cc1 ZINC000004819204 170022534 /nfs/dbraw/zinc/02/25/34/170022534.db2.gz WDFSNXXQOUHAFW-OUKQBFOZSA-N 0 0 297.354 3.902 50 30 CHEARN N#Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000004821127 170023384 /nfs/dbraw/zinc/02/33/84/170023384.db2.gz UWNVVYMELDMTSW-UHFFFAOYSA-N 0 0 261.683 3.930 50 30 CHEARN C=CCSC1=N/C(=C\c2ccc(F)cc2)C(=O)S1 ZINC000004845395 170029893 /nfs/dbraw/zinc/02/98/93/170029893.db2.gz RBYFCWYMQGJWAG-FLIBITNWSA-N 0 0 279.361 3.715 50 30 CHEARN C=CCOc1cccc(NC(=O)c2cccs2)c1 ZINC000004856938 170031751 /nfs/dbraw/zinc/03/17/51/170031751.db2.gz TVCKSVFPXCAHIA-UHFFFAOYSA-N 0 0 259.330 3.565 50 30 CHEARN CC1(C)CCC[C@@]2(O[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000004888968 170036306 /nfs/dbraw/zinc/03/63/06/170036306.db2.gz RZJRQXASOLXLIZ-DOMZBBRYSA-N 0 0 264.752 3.929 50 30 CHEARN CCc1ccc(C(C)N=Nc2cc(Cl)nc(C)n2)cc1 ZINC000004947075 170044114 /nfs/dbraw/zinc/04/41/14/170044114.db2.gz ZLGNLGBRUHUQRA-VXLYETTFSA-N 0 0 288.782 3.837 50 30 CHEARN CCC(=O)Nc1cccc(C(=O)/C=C/c2cccs2)c1 ZINC000004953798 170045046 /nfs/dbraw/zinc/04/50/46/170045046.db2.gz BFCOQJNZOOEOQI-CMDGGOBGSA-N 0 0 285.368 3.993 50 30 CHEARN CCOc1ccc(/C=N/N(C)c2ccccc2)cc1OC ZINC000004985189 170049084 /nfs/dbraw/zinc/04/90/84/170049084.db2.gz KTWRZNOENSFNPG-QGOAFFKASA-N 0 0 284.359 3.564 50 30 CHEARN Cc1cc(C)nc(N=NCc2ccc(C(F)(F)F)cc2)n1 ZINC000005029448 170058438 /nfs/dbraw/zinc/05/84/38/170058438.db2.gz JDYCFHVZYSWQPR-QGMBQPNBSA-N 0 0 294.280 3.558 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000005073025 170064565 /nfs/dbraw/zinc/06/45/65/170064565.db2.gz RCNSWQYZHLVEQQ-ZHACJKMWSA-N 0 0 267.284 3.799 50 30 CHEARN N#Cc1cccc(COc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000005118549 170067951 /nfs/dbraw/zinc/06/79/51/170067951.db2.gz PAFQFSOOQRXTAC-UHFFFAOYSA-N 0 0 288.690 3.699 50 30 CHEARN O=C(/C=C/c1cccc(Cl)c1)c1ccc(O)cc1 ZINC000005128096 170068642 /nfs/dbraw/zinc/06/86/42/170068642.db2.gz RRETUMAHWMCIPI-RUDMXATFSA-N 0 0 258.704 3.942 50 30 CHEARN CCSC1=N/C(=C\c2ccc(C)s2)C(=O)S1 ZINC000005150889 170070790 /nfs/dbraw/zinc/07/07/90/170070790.db2.gz WQQJTGXRPZBLIP-TWGQIWQCSA-N 0 0 269.416 3.780 50 30 CHEARN CCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O ZINC000005186451 170074916 /nfs/dbraw/zinc/07/49/16/170074916.db2.gz XPHJYZCLZSBBOU-DHDCSXOGSA-N 0 0 298.294 3.520 50 30 CHEARN CC(=O)c1ccc(NC2=CC(=O)CC(C)(C)C2)cc1 ZINC000005186829 170074969 /nfs/dbraw/zinc/07/49/69/170074969.db2.gz MOHNWBUNTHHROO-UHFFFAOYSA-N 0 0 257.333 3.574 50 30 CHEARN CCC[C@@H]1CC(=O)C=C(Nc2ccccc2C#N)C1 ZINC000005194071 170075177 /nfs/dbraw/zinc/07/51/77/170075177.db2.gz YUFWPDCQWPDFDJ-LBPRGKRZSA-N 0 0 254.333 3.633 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccccc2N(C)C)cc1 ZINC000005208198 170076137 /nfs/dbraw/zinc/07/61/37/170076137.db2.gz DZAYYURLTAYCTQ-JLHYYAGUSA-N 0 0 281.355 3.657 50 30 CHEARN CCOc1cccc(/C=N/c2cccc(C)c2)c1O ZINC000005273510 170081745 /nfs/dbraw/zinc/08/17/45/170081745.db2.gz VHIGJUIXZKYHEF-GZTJUZNOSA-N 0 0 255.317 3.850 50 30 CHEARN COc1ccc(Cl)cc1/N=C/c1ccccc1O ZINC000005286881 170083308 /nfs/dbraw/zinc/08/33/08/170083308.db2.gz YUHMMUNOYOZEMY-CXUHLZMHSA-N 0 0 261.708 3.805 50 30 CHEARN CCOc1cccc(/C=N/c2ccc(C)cc2)c1O ZINC000005286745 170083395 /nfs/dbraw/zinc/08/33/95/170083395.db2.gz OGXNMINMZVBDDZ-GZTJUZNOSA-N 0 0 255.317 3.850 50 30 CHEARN COc1cccc(/C=N/c2cc(C)ccc2F)c1O ZINC000005288289 170083412 /nfs/dbraw/zinc/08/34/12/170083412.db2.gz FETXSAFKAVDXOQ-RQZCQDPDSA-N 0 0 259.280 3.599 50 30 CHEARN N#Cc1cccc(/C=C2\CCc3ccccc3C2=O)c1 ZINC000005722839 170133287 /nfs/dbraw/zinc/13/32/87/170133287.db2.gz MQAZAYSOARYUKZ-LFIBNONCSA-N 0 0 259.308 3.771 50 30 CHEARN N#C[C@H](C(=O)c1ccccc1)c1nc2ccccc2s1 ZINC000005772884 170139277 /nfs/dbraw/zinc/13/92/77/170139277.db2.gz YCMDTQIVYYCSBJ-GFCCVEGCSA-N 0 0 278.336 3.786 50 30 CHEARN C[C@@H](C#N)OC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000005890511 170150971 /nfs/dbraw/zinc/15/09/71/170150971.db2.gz GLYNSNHHZRIKLE-NSHDSACASA-N 0 0 292.294 3.564 50 30 CHEARN COc1ccc2c(c1)C(=O)/C(=C\c1ccccc1)CC2 ZINC000005960236 170162732 /nfs/dbraw/zinc/16/27/32/170162732.db2.gz HGRSNNZOANAXRB-PTNGSMBKSA-N 0 0 264.324 3.908 50 30 CHEARN N#Cc1ccc(COC(=O)c2csc3c2CCCC3)cc1 ZINC000005968558 170164321 /nfs/dbraw/zinc/16/43/21/170164321.db2.gz LPARPXSCOQZMAP-UHFFFAOYSA-N 0 0 297.379 3.856 50 30 CHEARN COc1cc(C#N)cc(Cl)c1OCc1ccc(C#N)cc1 ZINC000006126631 170178700 /nfs/dbraw/zinc/17/87/00/170178700.db2.gz SSVOAWBDXLDCQV-UHFFFAOYSA-N 0 0 298.729 3.671 50 30 CHEARN Cc1ccsc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1 ZINC000006339136 170193706 /nfs/dbraw/zinc/19/37/06/170193706.db2.gz XOTDZUVSSHSFEC-AATRIKPKSA-N 0 0 273.313 3.861 50 30 CHEARN N#CCCn1c2ccccc2nc1Cc1ccccc1 ZINC000006399514 170198271 /nfs/dbraw/zinc/19/82/71/170198271.db2.gz JFAPZHSLRDCVRI-UHFFFAOYSA-N 0 0 261.328 3.541 50 30 CHEARN Cc1ccc(/C=C2\COc3ccccc3C2=O)s1 ZINC000006410624 170199122 /nfs/dbraw/zinc/19/91/22/170199122.db2.gz VUMYKYZVRTYLHT-DHZHZOJOSA-N 0 0 256.326 3.715 50 30 CHEARN CCOc1cccc(/C=N/c2cc(C)ccc2OC)c1O ZINC000006509812 170208251 /nfs/dbraw/zinc/20/82/51/170208251.db2.gz OKZPBKLDFRCNTA-WOJGMQOQSA-N 0 0 285.343 3.859 50 30 CHEARN C=CCn1c(=S)[nH]nc1-c1csc2c1CC[C@H](C)C2 ZINC000006556256 170212650 /nfs/dbraw/zinc/21/26/50/170212650.db2.gz AMDCSXGQMORJKP-VIFPVBQESA-N 0 0 291.445 3.980 50 30 CHEARN O=C1Nc2ccc(F)cc2C1=NNc1ccccc1Cl ZINC000006674297 170225536 /nfs/dbraw/zinc/22/55/36/170225536.db2.gz SAVABLYFHDQISY-UHFFFAOYSA-N 0 0 289.697 3.897 50 30 CHEARN C=CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1 ZINC000006698151 170227252 /nfs/dbraw/zinc/22/72/52/170227252.db2.gz BPUKOXJYUFSOKO-UHFFFAOYSA-N 0 0 267.328 3.812 50 30 CHEARN CCCOc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000006701822 170229959 /nfs/dbraw/zinc/22/99/59/170229959.db2.gz ODYHHDLUBSEPME-UHFFFAOYSA-N 0 0 280.327 3.599 50 30 CHEARN Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000006742751 170238253 /nfs/dbraw/zinc/23/82/53/170238253.db2.gz SNXACZPMAWMHLB-AWEZNQCLSA-N 0 0 294.354 3.581 50 30 CHEARN C#CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000006747549 170239978 /nfs/dbraw/zinc/23/99/78/170239978.db2.gz XVXSFNCAYNHIIC-UHFFFAOYSA-N 0 0 293.366 3.876 50 30 CHEARN Cc1ccc(-c2n[nH]c3c2/C(=N/O)c2ccccc2-3)cc1 ZINC000006845931 170248640 /nfs/dbraw/zinc/24/86/40/170248640.db2.gz LWYLQOXGXKHIHX-LVZFUZTISA-N 0 0 275.311 3.592 50 30 CHEARN CC(=O)Oc1ccccc1/C=C/C(=O)c1ccccc1 ZINC000006905754 170254303 /nfs/dbraw/zinc/25/43/03/170254303.db2.gz TUMBTXSGFTVGFD-VAWYXSNFSA-N 0 0 266.296 3.508 50 30 CHEARN O=C(C=C1SCCS1)[C@H]1C[C@@H]1c1ccccc1 ZINC000006940017 170257086 /nfs/dbraw/zinc/25/70/86/170257086.db2.gz ATBHEAOJSAPPEO-NEPJUHHUSA-N 0 0 262.399 3.681 50 30 CHEARN Cc1cccc(N[C@H](C)C(=O)Nc2ccccc2C#N)c1C ZINC000007042208 170263651 /nfs/dbraw/zinc/26/36/51/170263651.db2.gz XISKPRXNPHXDJW-CQSZACIVSA-N 0 0 293.370 3.614 50 30 CHEARN N#CC1(C(=O)Nc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000007334520 170277769 /nfs/dbraw/zinc/27/77/69/170277769.db2.gz MCWMEFGGJQNHFB-UHFFFAOYSA-N 0 0 282.265 3.728 50 30 CHEARN C[C@@H](C#N)OC(=O)c1sc2cc(F)ccc2c1Cl ZINC000007654797 170295993 /nfs/dbraw/zinc/29/59/93/170295993.db2.gz OICVIQWNSVUGCG-LURJTMIESA-N 0 0 283.711 3.763 50 30 CHEARN N#Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1 ZINC000007737902 170299785 /nfs/dbraw/zinc/29/97/85/170299785.db2.gz KBRKASDZBGIINT-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN Cc1c2ccccc2oc1C(=O)Nc1sccc1C#N ZINC000007796747 170303619 /nfs/dbraw/zinc/30/36/19/170303619.db2.gz YHDWTHKYLQITHW-UHFFFAOYSA-N 0 0 282.324 3.927 50 30 CHEARN N#Cc1ccc(NC(=O)C2CCCCC2)cc1Cl ZINC000007804193 170303763 /nfs/dbraw/zinc/30/37/63/170303763.db2.gz LPWNHXNMYPKVRZ-UHFFFAOYSA-N 0 0 262.740 3.730 50 30 CHEARN C=CCN(C(=O)C1CCCC1)c1nc2c(s1)CCCC2 ZINC000007814488 170304005 /nfs/dbraw/zinc/30/40/05/170304005.db2.gz GQLABTZGPOVUNM-UHFFFAOYSA-N 0 0 290.432 3.731 50 30 CHEARN C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1cccs1 ZINC000007981059 170311499 /nfs/dbraw/zinc/31/14/99/170311499.db2.gz WZNPPQVLWAIWAQ-VIFPVBQESA-N 0 0 273.317 3.701 50 30 CHEARN N#Cc1cccc(C(=O)Nc2cccc(Cl)c2F)c1 ZINC000008015541 170313796 /nfs/dbraw/zinc/31/37/96/170313796.db2.gz JCYYUXXVCCZAAH-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN N#Cc1ccc(CSc2nnc(C3CC3)n2C2CC2)cc1 ZINC000008074193 170317495 /nfs/dbraw/zinc/31/74/95/170317495.db2.gz NNHZZIGXVGVQIF-UHFFFAOYSA-N 0 0 296.399 3.654 50 30 CHEARN C[C@@H](NC(=O)c1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000008238835 170326442 /nfs/dbraw/zinc/32/64/42/170326442.db2.gz AQVKRKQXCZMDFK-GFCCVEGCSA-N 0 0 290.322 3.795 50 30 CHEARN COc1cc(C(=O)/C=C/c2ccc(C)cc2C)ccc1O ZINC000008322741 170331056 /nfs/dbraw/zinc/33/10/56/170331056.db2.gz RXUPUWRXOUAWDI-SOFGYWHQSA-N 0 0 282.339 3.914 50 30 CHEARN C[C@@H](C#N)Sc1nnc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000008411276 170335385 /nfs/dbraw/zinc/33/53/85/170335385.db2.gz PYSIFXQRKWDRFM-RXOVYUGGSA-N 0 0 289.404 3.542 50 30 CHEARN CC[C@@H]1CCCCN1C(=S)NC1CCCCC1 ZINC000008691245 170345810 /nfs/dbraw/zinc/34/58/10/170345810.db2.gz JMCGQYHZSJTRRI-CYBMUJFWSA-N 0 0 254.443 3.869 50 30 CHEARN C=CCN(CC=C)Cc1c(C)[nH]c2ccc(C)cc2c1=O ZINC000008700915 170346730 /nfs/dbraw/zinc/34/67/30/170346730.db2.gz JLBPYZJHOGOEIF-UHFFFAOYSA-N 0 0 282.387 3.731 50 30 CHEARN CCc1ccccc1Nc1nnc(S[C@@H](C)C#N)s1 ZINC000008710884 170348539 /nfs/dbraw/zinc/34/85/39/170348539.db2.gz WBBSJMNMTGPORZ-VIFPVBQESA-N 0 0 290.417 3.848 50 30 CHEARN O=C(/C=C/c1ccnc2ccccc12)c1ccc(O)cc1 ZINC000008792591 170356032 /nfs/dbraw/zinc/35/60/32/170356032.db2.gz DMWBPGOSCSNPQG-JXMROGBWSA-N 0 0 275.307 3.837 50 30 biogenic CHEARN C=CCOc1cccc(NC(=O)c2ccc(OCC)cc2)c1 ZINC000008904962 170358137 /nfs/dbraw/zinc/35/81/37/170358137.db2.gz PYTZVBGQCUBMMB-UHFFFAOYSA-N 0 0 297.354 3.902 50 30 CHEARN C=CCN(C(=O)c1ccncc1)c1nc2ccccc2s1 ZINC000008987212 170360616 /nfs/dbraw/zinc/36/06/16/170360616.db2.gz SPAAPWPBIIMVBM-UHFFFAOYSA-N 0 0 295.367 3.524 50 30 CHEARN C=C(C)COc1ccccc1NC(=O)c1ccccc1OC ZINC000009822694 170386492 /nfs/dbraw/zinc/38/64/92/170386492.db2.gz XCZARJUEQCKLSN-UHFFFAOYSA-N 0 0 297.354 3.902 50 30 CHEARN CCCn1c(SCC#N)nnc1-c1ccc(Cl)cc1 ZINC000009882266 170388430 /nfs/dbraw/zinc/38/84/30/170388430.db2.gz JCGAWZXGVMQNMG-UHFFFAOYSA-N 0 0 292.795 3.624 50 30 CHEARN O=C1Nc2ccccc2/C1=N/c1cccc(C(F)(F)F)c1 ZINC000012377202 170481038 /nfs/dbraw/zinc/48/10/38/170481038.db2.gz BNSKFCOAYKYHCS-UHFFFAOYSA-N 0 0 290.244 3.778 50 30 CHEARN CC[C@@H](C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000012773511 170509642 /nfs/dbraw/zinc/50/96/42/170509642.db2.gz BRWSWGLSERRZNJ-LLVKDONJSA-N 0 0 299.399 3.590 50 30 CHEARN O=C1c2ccccc2C2=NC(=O)S[C@@H](c3ccccc3)C12 ZINC000017027270 170723092 /nfs/dbraw/zinc/72/30/92/170723092.db2.gz XYKHQKPEPZTMRU-INIZCTEOSA-N 0 0 293.347 3.792 50 30 CHEARN N#Cc1cccc(OCc2cccc3cccnc32)c1 ZINC000020246551 171100319 /nfs/dbraw/zinc/10/03/19/171100319.db2.gz SKACZPVITJXKMT-UHFFFAOYSA-N 0 0 260.296 3.685 50 30 CHEARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)c1C ZINC000020261459 171119327 /nfs/dbraw/zinc/11/93/27/171119327.db2.gz XNPAVCNOCOUOFD-CQSZACIVSA-N 0 0 294.354 3.581 50 30 CHEARN CN(C)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000020458512 171209066 /nfs/dbraw/zinc/20/90/66/171209066.db2.gz JCXDXXLVAZTBNT-UHFFFAOYSA-N 0 0 295.795 3.613 50 30 CHEARN CC(C)Oc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 ZINC000020473166 171216888 /nfs/dbraw/zinc/21/68/88/171216888.db2.gz QPHHTKVMIKTMFY-UHFFFAOYSA-N 0 0 280.327 3.598 50 30 CHEARN Cc1nc(N)c(C#N)c(-c2ccco2)c1-c1ccccc1 ZINC000020518053 171233006 /nfs/dbraw/zinc/23/30/06/171233006.db2.gz RKLVBYXTTNVOBV-UHFFFAOYSA-N 0 0 275.311 3.771 50 30 CHEARN C[C@@H](NC(=O)c1ccccc1SCC#N)c1ccccc1 ZINC000021706709 171319717 /nfs/dbraw/zinc/31/97/17/171319717.db2.gz FBZJFYMSRUTOCW-CYBMUJFWSA-N 0 0 296.395 3.793 50 30 CHEARN N#CCCNC(=O)c1ccc(-c2cccc(Cl)c2)s1 ZINC000022332556 171385508 /nfs/dbraw/zinc/38/55/08/171385508.db2.gz HJYSOSRPQZLHJT-UHFFFAOYSA-N 0 0 290.775 3.712 50 30 CHEARN Cc1ccc(C)c(N[C@H](C)C(=O)Nc2sccc2C#N)c1 ZINC000028758209 171572926 /nfs/dbraw/zinc/57/29/26/171572926.db2.gz QCEBKTMJMXGGTJ-GFCCVEGCSA-N 0 0 299.399 3.676 50 30 CHEARN N#Cc1c(N)nc(-c2ccccc2)cc1-c1cccs1 ZINC000033468133 171804857 /nfs/dbraw/zinc/80/48/57/171804857.db2.gz WFWGQLLRRFDTHC-UHFFFAOYSA-N 0 0 277.352 3.931 50 30 in-vivo CHEARN C=C(C)Cn1c(C(=O)N2CCCC2)cc2sc(C)cc21 ZINC000037541416 173263127 /nfs/dbraw/zinc/26/31/27/173263127.db2.gz QMHKHVNXRQQYLI-UHFFFAOYSA-N 0 0 288.416 3.823 50 30 CHEARN Cc1csc(S[C@@H](C#N)Cc2ccc(C)cc2)n1 ZINC000039976032 174180440 /nfs/dbraw/zinc/18/04/40/174180440.db2.gz CJNSETWWTAGAPZ-CYBMUJFWSA-N 0 0 274.414 3.987 50 30 CHEARN CC[C@H](Nc1ccc(C#N)cn1)c1ccc(OC)cc1 ZINC000040024851 174183669 /nfs/dbraw/zinc/18/36/69/174183669.db2.gz CUCRUWYBFVNBOJ-HNNXBMFYSA-N 0 0 267.332 3.525 50 30 CHEARN N#Cc1cc(NC(=O)N2CCCCCC2)ccc1Cl ZINC000040104341 174191301 /nfs/dbraw/zinc/19/13/01/174191301.db2.gz YURHEUHRFKBJOH-UHFFFAOYSA-N 0 0 277.755 3.620 50 30 CHEARN C=C(Br)Cc1ccc(Br)s1 ZINC000043209544 174983629 /nfs/dbraw/zinc/98/36/29/174983629.db2.gz ISSVQSURELTRGO-UHFFFAOYSA-N 0 0 282.000 3.962 50 30 CHEARN O=C(/C=C/c1csnn1)c1cccc2ccccc21 ZINC000044012721 175138246 /nfs/dbraw/zinc/13/82/46/175138246.db2.gz GHYVSNPRCRBTIQ-CMDGGOBGSA-N 0 0 266.325 3.587 50 30 CHEARN CCc1ccc(CNC(=O)Nc2ccc(C#N)cc2)s1 ZINC000045956177 175388994 /nfs/dbraw/zinc/38/89/94/175388994.db2.gz FHSWWTFIZRAXEA-UHFFFAOYSA-N 0 0 285.372 3.504 50 30 CHEARN C=CCn1ccnc1-c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000071416124 176160441 /nfs/dbraw/zinc/16/04/41/176160441.db2.gz LFBIWOSKBKJPNV-UHFFFAOYSA-N 0 0 296.761 3.847 50 30 CHEARN N#Cc1c(N)oc2c1nsc2-c1cccc(Cl)c1 ZINC000078547441 177352864 /nfs/dbraw/zinc/35/28/64/177352864.db2.gz WZWNKALEWYITBF-UHFFFAOYSA-N 0 0 275.720 3.664 50 30 CHEARN Cc1ccc(C(=O)C=CNc2cccc([C@@H](C)O)c2)cc1 ZINC000004663407 260015925 /nfs/dbraw/zinc/01/59/25/260015925.db2.gz NDTSRGVHXINSAE-PLSXKVAHSA-N 0 0 281.355 3.857 50 30 CHEARN O=C1c2ccccc2SC1=CNc1ccccc1 ZINC000100435983 260600619 /nfs/dbraw/zinc/60/06/19/260600619.db2.gz SUEHJOACODGULB-UVTDQMKNSA-N 0 0 253.326 3.929 50 30 CHEARN N#Cc1ccc(/C=C/c2coc(-c3ccccc3)n2)nc1 ZINC000408513089 261068691 /nfs/dbraw/zinc/06/86/91/261068691.db2.gz ZIIPJZMDBRZCTN-CMDGGOBGSA-N 0 0 273.295 3.779 50 30 CHEARN COc1ccc(/C=C2/Oc3ccc(Cl)cc3C2=O)cc1 ZINC000043761377 263296247 /nfs/dbraw/zinc/29/62/47/263296247.db2.gz RSSHFECCGUGPMU-OVCLIPMQSA-N 0 0 286.714 3.965 50 30 CHEARN C=C(C)CN(CC)C(=O)Nc1cnn([C@@H](C)CC)c1C ZINC000331129729 264148110 /nfs/dbraw/zinc/14/81/10/264148110.db2.gz ORFZLDJFEJRAFD-LBPRGKRZSA-N 0 0 278.400 3.606 50 30 CHEARN CCCCCCCCOC(=O)c1ccc([N+](=O)[O-])o1 ZINC000002532370 326797687 /nfs/dbraw/zinc/79/76/87/326797687.db2.gz ZIYTZLKLAGMCTD-UHFFFAOYSA-N 0 0 269.297 3.705 50 30 CHEARN C=C[C@@H](C)C[C@H](C)[C@@H]1O[C@H]1COCc1ccc(OC)cc1 ZINC000071786764 328755033 /nfs/dbraw/zinc/75/50/33/328755033.db2.gz VNGSBXQXXHDPJM-BODMPHMZSA-N 0 0 290.403 3.828 50 30 CHEARN CC(C)(C#N)CC[S@](=O)Cc1cccc(Cl)c1 ZINC000123440750 329527721 /nfs/dbraw/zinc/52/77/21/329527721.db2.gz XIPWDICOPZKXFB-QGZVFWFLSA-N 0 0 269.797 3.529 50 30 CHEARN COc1ccc(NC=CC(=O)c2ccc(C)cc2)cc1OC ZINC000004754501 533993749 /nfs/dbraw/zinc/99/37/49/533993749.db2.gz GULHGOXCEHVUAJ-ZHACJKMWSA-N 0 0 297.354 3.821 50 30 CHEARN Cc1ccc(-c2oc3ccccc3c(=O)c2OCC#N)cc1 ZINC000001791330 534235165 /nfs/dbraw/zinc/23/51/65/534235165.db2.gz LITCKBAOXMKNTI-UHFFFAOYSA-N 0 0 291.306 3.671 50 30 biogenic,in-vitro CHEARN C=CCN(CC(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000003342740 518757225 /nfs/dbraw/zinc/75/72/25/518757225.db2.gz DIZSAIYUTRIQSV-UHFFFAOYSA-N 0 0 280.371 3.626 50 30 CHEARN CCCCCCCCCC[C@H]1C[C@H]2C[C@@H](O)O[C@H]2O1 ZINC000008384601 520026386 /nfs/dbraw/zinc/02/63/86/520026386.db2.gz JBVBWQPXSQZSQR-YHUYYLMFSA-N 0 0 270.413 3.987 50 30 CHEARN CCCCCCCNC(=O)/C=C/c1ccc(OC)cc1 ZINC000002765503 520051002 /nfs/dbraw/zinc/05/10/02/520051002.db2.gz XLMWJMBUELFYRW-JLHYYAGUSA-N 0 0 275.392 3.795 50 30 CHEARN CCCCCCCN1C(=S)N=NC1c1ccncc1 ZINC000002142987 520072614 /nfs/dbraw/zinc/07/26/14/520072614.db2.gz LBKBKINOHDGLSY-UHFFFAOYSA-N 0 0 276.409 3.599 50 30 CHEARN COc1cccc(C(=O)C=CNc2ccccc2OC)c1 ZINC000005175291 525779953 /nfs/dbraw/zinc/77/99/53/525779953.db2.gz HCYSMJSLCCLULP-ZHACJKMWSA-N 0 0 283.327 3.512 50 30 CHEARN COc1cccc(C(=O)[C@@H](CC#N)c2ccccc2)c1 ZINC000055026204 525839888 /nfs/dbraw/zinc/83/98/88/525839888.db2.gz HMXMGBYVCZQHCC-INIZCTEOSA-N 0 0 265.312 3.575 50 30 CHEARN N#CCCCSCc1noc(C2CCCCC2)n1 ZINC000190983049 526448246 /nfs/dbraw/zinc/44/82/46/526448246.db2.gz KTZPBAPDUWSULT-UHFFFAOYSA-N 0 0 265.382 3.654 50 30 CHEARN N#Cc1nnc2ccccc2c1SC1CCCC1 ZINC000071920614 526800034 /nfs/dbraw/zinc/80/00/34/526800034.db2.gz LCMMLVPBBBHEJS-UHFFFAOYSA-N 0 0 255.346 3.536 50 30 CHEARN Cc1nc([C@@H]2CCCN2c2cccc(F)c2C#N)cs1 ZINC000275066383 527054628 /nfs/dbraw/zinc/05/46/28/527054628.db2.gz XPTRDXCBEMMDFF-HNNXBMFYSA-N 0 0 287.363 3.804 50 30 CHEARN C=CCc1cc(C)ccc1OCCCCn1ccnc1 ZINC000016193141 527235700 /nfs/dbraw/zinc/23/57/00/527235700.db2.gz JDSHJGVFOVOWRM-UHFFFAOYSA-N 0 0 270.376 3.779 50 30 CHEARN CCS[C@H](C)C[C@@H]1Cc2onc(CC)c2/C(=N\O)C1 ZINC000100447722 529222949 /nfs/dbraw/zinc/22/29/49/529222949.db2.gz KQTKQKSKKRBLDB-ULVWRBEMSA-N 0 0 282.409 3.509 50 30 CHEARN N#CCc1cc(Cl)c(Cl)c(OC(F)(F)F)c1 ZINC000098210927 567911553 /nfs/dbraw/zinc/91/15/53/567911553.db2.gz NBBJFRVNOZKEJZ-UHFFFAOYSA-N 0 0 270.037 3.958 50 30 CHEARN CCN(CC)c1ccc(C=Nc2nccs2)cc1 ZINC000252627610 567930258 /nfs/dbraw/zinc/93/02/58/567930258.db2.gz RXWAUAJHHLYXPJ-UHFFFAOYSA-N 0 0 259.378 3.740 50 30 CHEARN C[C@@]12CC[C@@H]3[C@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2O ZINC000254013598 566832775 /nfs/dbraw/zinc/83/27/75/566832775.db2.gz UMDCOKNNLDEKJB-VEAXJEOVSA-N 0 0 286.415 3.655 50 30 CHEARN Cc1ccsc1-c1cc(-c2cccnc2)nc(N)c1C#N ZINC000034943709 566842414 /nfs/dbraw/zinc/84/24/14/566842414.db2.gz CLDRRTQWRKXTDB-UHFFFAOYSA-N 0 0 292.367 3.634 50 30 CHEARN C=CCNc1nc(Nc2cccc(O)c2)nc2ccccc21 ZINC000041150571 566855387 /nfs/dbraw/zinc/85/53/87/566855387.db2.gz LXOQTAWETPRUTL-UHFFFAOYSA-N 0 0 292.342 3.677 50 30 CHEARN Cc1ccc2cc(/C=N/c3ccccc3)c(=O)[nH]c2c1 ZINC000001265745 566859825 /nfs/dbraw/zinc/85/98/25/566859825.db2.gz SYSBFQGNHPGEEP-WOJGMQOQSA-N 0 0 262.312 3.587 50 30 CHEARN CN/N=C1\CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000012693534 566862675 /nfs/dbraw/zinc/86/26/75/566862675.db2.gz SBVFQTNRIXLYNI-WPFVQDQMSA-N 0 0 298.430 3.824 50 30 CHEARN C=CC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000072481973 566864823 /nfs/dbraw/zinc/86/48/23/566864823.db2.gz NDKBWYQICXGZDZ-AWEZNQCLSA-N 0 0 261.365 3.699 50 30 CHEARN C=CCNC(=O)N(Cc1ccccc1)[C@@H](C)c1ccccn1 ZINC000072270472 566866403 /nfs/dbraw/zinc/86/64/03/566866403.db2.gz KHFKFHRAMIOVRC-HNNXBMFYSA-N 0 0 295.386 3.540 50 30 CHEARN O=C(c1ccccc1)[C@H]1O[C@H]1c1ccc(Cl)cc1 ZINC000001389318 566869822 /nfs/dbraw/zinc/86/98/22/566869822.db2.gz QZHVIBAUHZWGCS-LSDHHAIUSA-N 0 0 258.704 3.663 50 30 CHEARN C=CCO[C@H](C)C(=O)N[C@@H](c1cccs1)C1CCCC1 ZINC000058025759 566874748 /nfs/dbraw/zinc/87/47/48/566874748.db2.gz UZTNDAVBBFKLKP-IUODEOHRSA-N 0 0 293.432 3.687 50 30 CHEARN C=CCN(Cc1cccs1)Cc1ccccc1C#N ZINC000058406369 566874844 /nfs/dbraw/zinc/87/48/44/566874844.db2.gz PKBBHRGYDZRIJA-UHFFFAOYSA-N 0 0 268.385 3.808 50 30 CHEARN Cc1c(C#N)c(-c2ccsc2)nc2cc3c(cc12)OCO3 ZINC000084068063 566878175 /nfs/dbraw/zinc/87/81/75/566878175.db2.gz GIVQTFPEMSPECJ-UHFFFAOYSA-N 0 0 294.335 3.872 50 30 CHEARN N#Cc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1 ZINC000012750586 566880016 /nfs/dbraw/zinc/88/00/16/566880016.db2.gz TWXQGPYPOBEEHX-UHFFFAOYSA-N 0 0 286.334 3.893 50 30 CHEARN C[C@H](c1ccccc1)N(C)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000015597150 566884588 /nfs/dbraw/zinc/88/45/88/566884588.db2.gz QDLABUQOVVUGAM-RDRICISKSA-N 0 0 290.366 3.791 50 30 CHEARN N#Cc1ncc(-c2ccccc2F)cc1C(F)(F)F ZINC000047203964 566889561 /nfs/dbraw/zinc/88/95/61/566889561.db2.gz ZZXDZXARAYMWBA-UHFFFAOYSA-N 0 0 266.197 3.778 50 30 CHEARN C=CCSc1nnc(-c2ccc(Cl)cc2)n1CC ZINC000016285786 566897694 /nfs/dbraw/zinc/89/76/94/566897694.db2.gz DDJZFONCHMAJAP-UHFFFAOYSA-N 0 0 279.796 3.897 50 30 CHEARN COc1cc(/C=N/c2ccc(C)cc2C)ccc1O ZINC000100003723 566897699 /nfs/dbraw/zinc/89/76/99/566897699.db2.gz QFGLIEJJTFWIAW-LICLKQGHSA-N 0 0 255.317 3.768 50 30 CHEARN C=C(Cl)COc1ccc2c(C)c(C)c(=O)oc2c1 ZINC000000317647 566899598 /nfs/dbraw/zinc/89/95/98/566899598.db2.gz KHXXMMASXDVSEK-UHFFFAOYSA-N 0 0 264.708 3.541 50 30 CHEARN Brc1ccc(C#Cc2ccccc2)cc1 ZINC000000986134 566899626 /nfs/dbraw/zinc/89/96/26/566899626.db2.gz XLHCHVUFUPJPEO-UHFFFAOYSA-N 0 0 257.130 3.849 50 30 CHEARN COc1ccc(/C=N/c2ccccc2C)cc1OC ZINC000017858789 566915565 /nfs/dbraw/zinc/91/55/65/566915565.db2.gz XPUDSOZEVRVJAG-GZTJUZNOSA-N 0 0 255.317 3.763 50 30 CHEARN CCCCCNc1nc(CC)c2c(c1C#N)CCCC2 ZINC000019925763 566927147 /nfs/dbraw/zinc/92/71/47/566927147.db2.gz CUQLZKDEAYZLMK-UHFFFAOYSA-N 0 0 271.408 3.997 50 30 CHEARN N#CC1(C#N)CCc2cc(-c3ccc(Cl)cc3)cnc21 ZINC000075284467 566940093 /nfs/dbraw/zinc/94/00/93/566940093.db2.gz ZUINAXOARNGQLL-UHFFFAOYSA-N 0 0 279.730 3.633 50 30 CHEARN COc1cccc(/C=N/C23CC4CC(CC(C4)C2)C3)c1O ZINC000075278847 566941154 /nfs/dbraw/zinc/94/11/54/566941154.db2.gz DCHOFRMJAYJQQC-YBFXNURJSA-N 0 0 285.387 3.789 50 30 CHEARN O=C1C=CC(=NNc2ccc(Cl)cc2)c2ccccc21 ZINC000242463718 566968032 /nfs/dbraw/zinc/96/80/32/566968032.db2.gz DIEZNTLMHYVBLK-UHFFFAOYSA-N 0 0 282.730 3.909 50 30 CHEARN Cc1cnc(CNc2cc(C#N)c3cc(Cl)ccc3n2)o1 ZINC000092662891 566971314 /nfs/dbraw/zinc/97/13/14/566971314.db2.gz YDVWWLXAGWDCOG-UHFFFAOYSA-N 0 0 298.733 3.668 50 30 CHEARN C[C@@H]1Oc2ccccc2C=C1/C=C/C(=O)c1ccc(O)cc1 ZINC000012895407 566977459 /nfs/dbraw/zinc/97/74/59/566977459.db2.gz KFWCDKZQGODNOI-YKWSONSWSA-N 0 0 292.334 3.996 50 30 biogenic CHEARN C=CCn1c(C)cc(C(=O)Cn2cnc3ccccc32)c1C ZINC000006651408 566993676 /nfs/dbraw/zinc/99/36/76/566993676.db2.gz ICJDVPZPZIIHEO-UHFFFAOYSA-N 0 0 293.370 3.524 50 30 CHEARN C=CCn1c(C)nnc1SCc1ccc(SC)cc1 ZINC000036397251 567001457 /nfs/dbraw/zinc/00/14/57/567001457.db2.gz FDVRZNVZMOXDCL-UHFFFAOYSA-N 0 0 291.445 3.787 50 30 CHEARN C=C1CCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000065541206 567010151 /nfs/dbraw/zinc/01/01/51/567010151.db2.gz ZPIPYRZKCKKBLC-UHFFFAOYSA-N 0 0 290.413 3.664 50 30 CHEARN CC1CCC(=CC(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)CC1 ZINC000170629589 567016046 /nfs/dbraw/zinc/01/60/46/567016046.db2.gz CCXLDFWXFCXZPN-ROFXEPAZSA-N 0 0 274.408 3.712 50 30 CHEARN COc1cc(C=Nc2ccc(C)c(C)c2)ccc1OC(C)=O ZINC000252461092 567052389 /nfs/dbraw/zinc/05/23/89/567052389.db2.gz KKOBTWPRTYJYBI-UHFFFAOYSA-N 0 0 297.354 3.988 50 30 CHEARN CN(C)c1ccc(C=Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000252462266 567052404 /nfs/dbraw/zinc/05/24/04/567052404.db2.gz RDDSTCFXQFHPHN-UHFFFAOYSA-N 0 0 287.294 3.551 50 30 CHEARN CCCCCCNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000252491627 567061192 /nfs/dbraw/zinc/06/11/92/567061192.db2.gz LOSYDHJIHCQCLY-INIZCTEOSA-N 0 0 272.392 3.770 50 30 CHEARN Cc1ccc(NN=C(C#N)C(=O)c2ccc(Cl)cc2)cc1 ZINC000252607341 567065779 /nfs/dbraw/zinc/06/57/79/567065779.db2.gz HATIVMPEIAFSQF-UHFFFAOYSA-N 0 0 297.745 3.823 50 30 CHEARN ON=C(CCCC(=NO)c1ccccc1)c1ccccc1 ZINC000252598467 567066044 /nfs/dbraw/zinc/06/60/44/567066044.db2.gz DBDXFVQEDYGQDW-UHFFFAOYSA-N 0 0 282.343 3.914 50 30 CHEARN CCC(Cl)=NOC(=O)Nc1cc(F)ccc1C ZINC000252609998 567066324 /nfs/dbraw/zinc/06/63/24/567066324.db2.gz HXFLGBJDJVZXKA-UHFFFAOYSA-N 0 0 258.680 3.645 50 30 CHEARN CC(=O)CC(C)=Nc1ccc(Br)cc1 ZINC000252623465 567068022 /nfs/dbraw/zinc/06/80/22/567068022.db2.gz OSCDWHURFKVUBW-UHFFFAOYSA-N 0 0 254.127 3.521 50 30 CHEARN Cc1ccc(C(=O)C(C#N)=NNc2cccc(Cl)c2)cc1 ZINC000252627699 567069962 /nfs/dbraw/zinc/06/99/62/567069962.db2.gz RZUJQBGPFICPAJ-UHFFFAOYSA-N 0 0 297.745 3.823 50 30 CHEARN CC(=NOC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000252630032 567070063 /nfs/dbraw/zinc/07/00/63/567070063.db2.gz USZMRMOXPZKKKA-SJORKVTESA-N 0 0 279.339 3.758 50 30 CHEARN C=CCC[C@@H](C)Nc1cccc(-c2nnc(C)o2)c1 ZINC000195561790 567070070 /nfs/dbraw/zinc/07/00/70/567070070.db2.gz XTSZJDSVGFGWAF-LLVKDONJSA-N 0 0 257.337 3.812 50 30 CHEARN CCOc1ccc(/C=N/c2ccc(OC)cc2)cc1 ZINC000000036949 567073359 /nfs/dbraw/zinc/07/33/59/567073359.db2.gz DYDOBLKJJZHAOA-SFQUDFHCSA-N 0 0 255.317 3.845 50 30 CHEARN CCO[P@@](=O)(C#CC(C)(C)C)C1(O)CCCCC1 ZINC000002318848 567099227 /nfs/dbraw/zinc/09/92/27/567099227.db2.gz OOTJJPAUSUKOJK-SFHVURJKSA-N 0 0 272.325 3.961 50 30 CHEARN Cc1ccc(C(=O)Nc2ccccc2C#N)c(Cl)c1 ZINC000000458410 567103590 /nfs/dbraw/zinc/10/35/90/567103590.db2.gz KTCBVXYDLJBRNK-UHFFFAOYSA-N 0 0 270.719 3.772 50 30 CHEARN CC(=O)Nc1n[nH]c(SCc2cccc3ccccc32)n1 ZINC000002451027 567115836 /nfs/dbraw/zinc/11/58/36/567115836.db2.gz RLINZLNCPQHPID-UHFFFAOYSA-N 0 0 298.371 3.858 50 30 aggregator CHEARN Cc1cccc(/C=C2\Oc3cc(O)cc(C)c3C2=O)c1 ZINC000094993410 567125274 /nfs/dbraw/zinc/12/52/74/567125274.db2.gz KPRARFKCOFLGPA-NVNXTCNLSA-N 0 0 266.296 3.625 50 30 CHEARN C=CC[C@H]1N(C(=O)CCc2ccccn2)CCCC1(C)C ZINC000278343128 567126558 /nfs/dbraw/zinc/12/65/58/567126558.db2.gz JEXKFYBUBZGVFG-MRXNPFEDSA-N 0 0 286.419 3.608 50 30 CHEARN Cc1cccc(C)c1CCC(=O)c1cccc(C#N)c1 ZINC000002517583 567128765 /nfs/dbraw/zinc/12/87/65/567128765.db2.gz LHYHAEJLYSHVDI-UHFFFAOYSA-N 0 0 263.340 3.991 50 30 CHEARN C[C@@H](OC(=O)c1ccc(Br)cc1)C(C)(C)C#N ZINC000095435522 567134241 /nfs/dbraw/zinc/13/42/41/567134241.db2.gz AKTVATBXQBYKAU-SECBINFHSA-N 0 0 296.164 3.544 50 30 CHEARN O=C1NC(=Nc2cccc(F)c2)C(=Cc2ccncc2)S1 ZINC000095474581 567136680 /nfs/dbraw/zinc/13/66/80/567136680.db2.gz PQRCKSPRZYVJPH-MDWZMJQESA-N 0 0 299.330 3.953 50 30 CHEARN C[C@H]1CCN(c2cc(C#N)ccn2)[C@@H](c2ccco2)C1 ZINC000283778651 567143919 /nfs/dbraw/zinc/14/39/19/567143919.db2.gz PWUGYDBDZZXSPY-GXTWGEPZSA-N 0 0 267.332 3.524 50 30 CHEARN C=CCOc1ccc2c(nc3occc3c2OC)c1OC ZINC000002479041 567145240 /nfs/dbraw/zinc/14/52/40/567145240.db2.gz JCPMMCWEZKWTTL-UHFFFAOYSA-N 0 0 285.299 3.563 50 30 biogenic CHEARN N#Cc1ccc(C(=O)c2ccc(Br)cc2)cc1 ZINC000002567532 567149377 /nfs/dbraw/zinc/14/93/77/567149377.db2.gz YRVOJWYIXLYAEO-UHFFFAOYSA-N 0 0 286.128 3.552 50 30 CHEARN Cc1sc(NC(=O)c2cc(F)cc(F)c2)c(C#N)c1C ZINC000002747994 567152911 /nfs/dbraw/zinc/15/29/11/567152911.db2.gz IUGQTFRDVYDIHV-UHFFFAOYSA-N 0 0 292.310 3.767 50 30 CHEARN Cc1ccc(C(=O)CSc2nc(C)ccc2C#N)c(C)c1 ZINC000003176783 567162585 /nfs/dbraw/zinc/16/25/85/567162585.db2.gz ZJXUCVGJJYACHF-UHFFFAOYSA-N 0 0 296.395 3.854 50 30 CHEARN N#Cc1cccnc1SCc1cccc(Cl)c1 ZINC000030822761 567171964 /nfs/dbraw/zinc/17/19/64/567171964.db2.gz WCWNSXJYNIJSEI-UHFFFAOYSA-N 0 0 260.749 3.899 50 30 CHEARN N#Cc1ccc(NC(=O)Cc2ccccc2F)cc1Cl ZINC000003459537 567175732 /nfs/dbraw/zinc/17/57/32/567175732.db2.gz VBGLBLFZNMAIQZ-UHFFFAOYSA-N 0 0 288.709 3.532 50 30 CHEARN N#Cc1cccc(NC(=O)c2c(F)cccc2Cl)c1 ZINC000003603815 567179841 /nfs/dbraw/zinc/17/98/41/567179841.db2.gz VYJMFGROLVYOBV-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN N#Cc1ccccc1COc1cnc(-c2ccccc2)nc1 ZINC000031785198 567181388 /nfs/dbraw/zinc/18/13/88/567181388.db2.gz IOJNLMAPJLAHHY-UHFFFAOYSA-N 0 0 287.322 3.594 50 30 CHEARN N#Cc1cccc(OCCN2CCCc3cc(F)ccc32)c1 ZINC000059403078 567193200 /nfs/dbraw/zinc/19/32/00/567193200.db2.gz KQYGUPUWNCTDRR-UHFFFAOYSA-N 0 0 296.345 3.529 50 30 CHEARN CC[C@](C)(C#N)NC(=O)c1ccc(-c2ccsc2)nc1C ZINC000066645229 567194539 /nfs/dbraw/zinc/19/45/39/567194539.db2.gz SRPVFUNBXCCJAQ-MRXNPFEDSA-N 0 0 299.399 3.541 50 30 CHEARN Cc1ccccc1-n1ccnc1SC[C@@H](C#N)CCC#N ZINC000066402876 567194951 /nfs/dbraw/zinc/19/49/51/567194951.db2.gz HJRIWLZKYJMUGL-CQSZACIVSA-N 0 0 296.399 3.716 50 30 CHEARN CCOc1ccccc1/C=N/c1ccc(OC)cc1 ZINC000000065792 567817493 /nfs/dbraw/zinc/81/74/93/567817493.db2.gz RHWAFMJQRLCTII-SFQUDFHCSA-N 0 0 255.317 3.845 50 30 CHEARN C(=N/n1cnnc1)\c1ccc(-c2cccc3ccccc32)o1 ZINC000000128212 567819489 /nfs/dbraw/zinc/81/94/89/567819489.db2.gz HRAUSGJSKUTSRK-KEBDBYFISA-N 0 0 288.310 3.574 50 30 CHEARN N#CCc1ccc(C(=O)c2ccc(Cl)cc2)s1 ZINC000000169101 567820987 /nfs/dbraw/zinc/82/09/87/567820987.db2.gz DIRGQLKUKMYTLB-UHFFFAOYSA-N 0 0 261.733 3.699 50 30 CHEARN CO/N=C1\C[C@H](c2ccccc2)Oc2ccccc21 ZINC000000173731 567821360 /nfs/dbraw/zinc/82/13/60/567821360.db2.gz MATFMUXRVJWSLS-WECAROLCSA-N 0 0 253.301 3.561 50 30 CHEARN CC[C@@]1(C)C[C@@](CC#N)(c2ccccc2OC)CCO1 ZINC000000171719 567821398 /nfs/dbraw/zinc/82/13/98/567821398.db2.gz OUPPYFQFNVASQA-IRXDYDNUSA-N 0 0 273.376 3.826 50 30 CHEARN CC(=O)/C=C/c1c(-c2ccc(C)cc2)nc2sccn12 ZINC000001406962 567837372 /nfs/dbraw/zinc/83/73/72/567837372.db2.gz BMKHECMEWDTDLJ-VMPITWQZSA-N 0 0 282.368 3.973 50 30 CHEARN Clc1ccc(CO/N=C/c2ccc3c(c2)CCO3)cc1 ZINC000002158216 567844893 /nfs/dbraw/zinc/84/48/93/567844893.db2.gz ANYJANXNXDCXNH-VCHYOVAHSA-N 0 0 287.746 3.826 50 30 CHEARN Fc1c(F)c(Cl)c(F)c(C(F)(F)F)c1F ZINC000002243101 567845198 /nfs/dbraw/zinc/84/51/98/567845198.db2.gz WFPMVEWSBGBVKV-UHFFFAOYSA-N 0 0 252.516 3.915 50 30 CHEARN N#Cc1c(-c2ccc(F)cc2)cc(C(F)(F)F)[nH]c1=S ZINC000002534813 567847841 /nfs/dbraw/zinc/84/78/41/567847841.db2.gz ZLLVXEGUAAGAPD-SNVBAGLBSA-N 0 0 298.264 3.693 50 30 CHEARN CCCCCCC[C@@]1(C)NC(=O)N(c2ccccc2)N1 ZINC000002902001 567850527 /nfs/dbraw/zinc/85/05/27/567850527.db2.gz ILIBYIMPJMMEDV-INIZCTEOSA-N 0 0 275.396 3.798 50 30 CHEARN CO/N=C/c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000003028595 567851485 /nfs/dbraw/zinc/85/14/85/567851485.db2.gz VPPXQVPBNXEHNN-XNTDXEJSSA-N 0 0 288.328 3.726 50 30 CHEARN O=C1SC(c2ccccc2)=N/C1=C/c1ccccc1F ZINC000003173535 567852132 /nfs/dbraw/zinc/85/21/32/567852132.db2.gz NKUADZDRZFQGLB-GXDHUFHOSA-N 0 0 283.327 3.887 50 30 CHEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C ZINC000003201986 567852168 /nfs/dbraw/zinc/85/21/68/567852168.db2.gz ICTXHFFSOAJUMG-UEDWAMCQSA-N 0 0 298.426 3.637 50 30 biogenic CHEARN Cc1csc(N=NCc2ccccc2Br)n1 ZINC000003958951 567854804 /nfs/dbraw/zinc/85/48/04/567854804.db2.gz MZSWGPMYUNPSMP-AWNIVKPZSA-N 0 0 296.193 3.660 50 30 CHEARN O=C(/C=C/c1cccc(Br)c1)c1ccc[nH]1 ZINC000004185325 567855894 /nfs/dbraw/zinc/85/58/94/567855894.db2.gz LCYMZLZXIPGGPA-VOTSOKGWSA-N 0 0 276.133 3.673 50 30 CHEARN N#Cc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000004576935 567858161 /nfs/dbraw/zinc/85/81/61/567858161.db2.gz FWICIRTZVWMIOM-LICLKQGHSA-N 0 0 278.340 3.614 50 30 CHEARN COc1ccc(/N=C/c2sccc2C)c([N+](=O)[O-])c1 ZINC000004956759 567859335 /nfs/dbraw/zinc/85/93/35/567859335.db2.gz PTPMSJMXMGYCCX-RIYZIHGNSA-N 0 0 276.317 3.724 50 30 CHEARN C/C(=N\Nc1ccccc1)c1cc2ccccc2oc1=O ZINC000012343314 567862499 /nfs/dbraw/zinc/86/24/99/567862499.db2.gz KEJFBZOKPJYFPN-LDADJPATSA-N 0 0 278.311 3.629 50 30 CHEARN CC(=O)Oc1ccc(/C=C2/CCc3ccccc3C2=O)cc1 ZINC000013113775 567864608 /nfs/dbraw/zinc/86/46/08/567864608.db2.gz OFJGCFGXTCAJNK-VBKFSLOCSA-N 0 0 292.334 3.824 50 30 CHEARN Cc1noc2c1[C@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2 ZINC000013729919 567867644 /nfs/dbraw/zinc/86/76/44/567867644.db2.gz OISMJYDUZHNNSJ-HNNXBMFYSA-N 0 0 298.317 3.687 50 30 CHEARN CSc1ccc(C(=O)Nc2sccc2C#N)cc1 ZINC000004517667 567868704 /nfs/dbraw/zinc/86/87/04/567868704.db2.gz FTOWKDKTZKAPOG-UHFFFAOYSA-N 0 0 274.370 3.594 50 30 CHEARN CSC1=N/C(=C\C=C\c2ccccc2)C(=O)S1 ZINC000015016278 567869721 /nfs/dbraw/zinc/86/97/21/567869721.db2.gz ZXZKLEFMMVFZQH-PAUBHIBZSA-N 0 0 261.371 3.576 50 30 CHEARN C[C@@H]1CCC[C@@H](C)N1/N=C/c1ccccc1Cl ZINC000004551622 567869802 /nfs/dbraw/zinc/86/98/02/567869802.db2.gz SGUIEVJNEOBDHX-DYBVGFEPSA-N 0 0 250.773 3.937 50 30 CHEARN CN(C)c1ccc(C=[NH+][N-]c2ccc3ccccc3n2)cc1 ZINC000004561056 567870606 /nfs/dbraw/zinc/87/06/06/567870606.db2.gz JKNZJAWNRPACOA-CPNJWEJPSA-N 0 0 290.370 3.747 50 30 CHEARN COc1ccccc1C=NNc1ccc2ccccc2n1 ZINC000004562246 567870662 /nfs/dbraw/zinc/87/06/62/567870662.db2.gz MEDDJNRQFRQKAS-LDADJPATSA-N 0 0 277.327 3.689 50 30 CHEARN COc1ccc(C(=O)C=C(C)NCc2ccc(C)cc2)cc1 ZINC000016183004 567872156 /nfs/dbraw/zinc/87/21/56/567872156.db2.gz KWJJUTKOFRIKGT-NTCAYCPXSA-N 0 0 295.382 3.880 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2ccccc2O)c(C)c1 ZINC000016957442 567874336 /nfs/dbraw/zinc/87/43/36/567874336.db2.gz UURALUILAZJMAY-CSKARUKUSA-N 0 0 252.313 3.905 50 30 CHEARN CSc1nc(NC(C)C)c(C#N)c(-c2ccccc2)n1 ZINC000033325305 567876273 /nfs/dbraw/zinc/87/62/73/567876273.db2.gz MQJGGUATDWWWGQ-UHFFFAOYSA-N 0 0 284.388 3.557 50 30 CHEARN CC1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000019817615 567879040 /nfs/dbraw/zinc/87/90/40/567879040.db2.gz BZTGVBSTOUKXCI-UHFFFAOYSA-N 0 0 287.403 3.512 50 30 CHEARN C/C(=N\O)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000019809191 567879175 /nfs/dbraw/zinc/87/91/75/567879175.db2.gz DVFHLLSPLNIERZ-GZTJUZNOSA-N 0 0 259.280 3.603 50 30 CHEARN N#CCC[C@@H](C#N)CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000028918541 567883936 /nfs/dbraw/zinc/88/39/36/567883936.db2.gz MSTOYVNTAJYNRW-XJKSGUPXSA-N 0 0 287.794 3.920 50 30 CHEARN CC[C@]1(C)C[C@](CC#N)(c2ccc(OC)cc2)CCO1 ZINC000000367102 567887267 /nfs/dbraw/zinc/88/72/67/567887267.db2.gz DKPMIFWUXBXVHV-IAGOWNOFSA-N 0 0 273.376 3.826 50 30 CHEARN C=CC#CC(C)(C)c1ccc(OC(C)=O)c(CC=C)c1 ZINC000003093375 567888408 /nfs/dbraw/zinc/88/84/08/567888408.db2.gz KCXKQCQDYBRNRC-UHFFFAOYSA-N 0 0 268.356 3.807 50 30 CHEARN CCN(CC)[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000037355255 567890046 /nfs/dbraw/zinc/89/00/46/567890046.db2.gz ALCIABZIYBOSLI-GFCCVEGCSA-N 0 0 257.164 3.900 50 30 CHEARN FC(F)(F)C(F)(F)C(F)(F)c1nc2ccccc2[nH]1 ZINC000037868623 567890336 /nfs/dbraw/zinc/89/03/36/567890336.db2.gz VZEYKZFVOPCTLV-UHFFFAOYSA-N 0 0 286.150 3.852 50 30 CHEARN O=C1c2ccccc2S/C1=C/c1ccc(O)cc1 ZINC000013616149 567892865 /nfs/dbraw/zinc/89/28/65/567892865.db2.gz BHYUBYSOQLBDOH-NTEUORMPSA-N 0 0 254.310 3.722 50 30 CHEARN Cc1ccc(/C=N/N=C2\C[C@H](c3ccccc3)N=N2)o1 ZINC000004615652 567894078 /nfs/dbraw/zinc/89/40/78/567894078.db2.gz SSOCPSVYIXAKBI-BNCNYOETSA-N 0 0 266.304 3.918 50 30 CHEARN Cc1cc(C)cc(NC(=S)NCc2cccn2C)c1 ZINC000013879190 567894855 /nfs/dbraw/zinc/89/48/55/567894855.db2.gz WMYISCNKNCTLGM-UHFFFAOYSA-N 0 0 273.405 3.540 50 30 CHEARN N#CCCCSc1nnc(-c2cc3ccccc3o2)o1 ZINC000096452661 567897585 /nfs/dbraw/zinc/89/75/85/567897585.db2.gz WDQUSLGIYWHBCU-UHFFFAOYSA-N 0 0 285.328 3.879 50 30 CHEARN C[C@@H]1CCC[C@H](NC(=O)c2ccccc2SCC#N)C1 ZINC000033183860 567901627 /nfs/dbraw/zinc/90/16/27/567901627.db2.gz BZSPTDBNORWIMI-OLZOCXBDSA-N 0 0 288.416 3.611 50 30 CHEARN CC[N@@H+]1CC[C@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000071769323 567901747 /nfs/dbraw/zinc/90/17/47/567901747.db2.gz CLRZIQGKTOQIDR-IBGZPJMESA-N 0 0 290.410 3.838 50 30 CHEARN COc1ccc(/C=N/c2ccc(C)c(C)c2)cc1O ZINC000000062717 567906582 /nfs/dbraw/zinc/90/65/82/567906582.db2.gz XGOAUTQWMQOUJI-LICLKQGHSA-N 0 0 255.317 3.768 50 30 CHEARN N#Cc1cccc(NC(=O)CCc2ccc(Cl)cc2)c1 ZINC000011373712 567907726 /nfs/dbraw/zinc/90/77/26/567907726.db2.gz BPOZIUVJSGMSMX-UHFFFAOYSA-N 0 0 284.746 3.783 50 30 CHEARN CCCCCCCN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000095725732 567909461 /nfs/dbraw/zinc/90/94/61/567909461.db2.gz HAPHKPXFYXPWDK-NTEUORMPSA-N 0 0 294.311 3.871 50 30 CHEARN C(=N/C(/N=C/c1ccco1)c1ccco1)\c1ccco1 ZINC000100056984 567910672 /nfs/dbraw/zinc/91/06/72/567910672.db2.gz CYGDSXFTXXFMNI-OTYYAQKOSA-N 0 0 268.272 3.702 50 30 CHEARN CCCCCCCNC(=O)c1ccc(OCC)cc1 ZINC000098050441 567911447 /nfs/dbraw/zinc/91/14/47/567911447.db2.gz NUWCIXIWPXMFMW-UHFFFAOYSA-N 0 0 263.381 3.786 50 30 CHEARN CCOc1ccc(/N=C(\C)c2ccccc2O)cc1 ZINC000100345026 567912808 /nfs/dbraw/zinc/91/28/08/567912808.db2.gz VWTJQBPDALEPKS-SFQUDFHCSA-N 0 0 255.317 3.932 50 30 CHEARN Cn1c2ccccc2nc1/N=C/c1cc(Cl)ccc1O ZINC000100702100 567913708 /nfs/dbraw/zinc/91/37/08/567913708.db2.gz KPUBDHDVEHKRHA-RQZCQDPDSA-N 0 0 285.734 3.683 50 30 CHEARN Cc1ccc(/C=N\CC/N=C\c2ccc(C)cc2)cc1 ZINC000100141199 567917025 /nfs/dbraw/zinc/91/70/25/567917025.db2.gz MPGHYNJQWJVCOT-AXPXABNXSA-N 0 0 264.372 3.841 50 30 CHEARN C=CC(=O)NCc1ccc(C)cc1OCc1ccco1 ZINC000328597832 567923049 /nfs/dbraw/zinc/92/30/49/567923049.db2.gz IYRWTWXZNMVDPO-UHFFFAOYSA-N 0 0 271.316 3.810 50 30 CHEARN C=CC(=O)N[C@H](CC1CCCCC1)c1ncccn1 ZINC000328599279 567923070 /nfs/dbraw/zinc/92/30/70/567923070.db2.gz REQZUDACIJOABI-CYBMUJFWSA-N 0 0 259.353 3.631 50 30 CHEARN CN1c2ccccc2S/C1=C/C(=O)c1ccccc1 ZINC000100501106 567927591 /nfs/dbraw/zinc/92/75/91/567927591.db2.gz ZOSCLVRDFHFOHY-LFIBNONCSA-N 0 0 267.353 3.953 50 30 CHEARN COc1ccc(Sc2ccccc2C=NO)cc1 ZINC000252605850 567930287 /nfs/dbraw/zinc/93/02/87/567930287.db2.gz GNLVPNPQQFHRPY-UHFFFAOYSA-N 0 0 259.330 3.655 50 30 CHEARN CN(C)c1ccc(/C=C\C=NOC(=O)c2ccccc2)cc1 ZINC000252605832 567930295 /nfs/dbraw/zinc/93/02/95/567930295.db2.gz GNDSLBYSASXAJU-YOICKIESSA-N 0 0 294.354 3.609 50 30 CHEARN CCOC1=CC(=O)[C@H]([C@@H](OC)C2([Si](C)(C)C)CC2)CC1 ZINC000169829323 567931377 /nfs/dbraw/zinc/93/13/77/567931377.db2.gz CPEKADFKQMEUQS-UKRRQHHQSA-N 0 0 296.483 3.773 50 30 CHEARN CC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000000315253 567935838 /nfs/dbraw/zinc/93/58/38/567935838.db2.gz PWNCWNHMBUMBLU-BQYQJAHWSA-N 0 0 252.313 3.868 50 30 CHEARN CC(=CC(=O)c1ccc(C)cc1)Nc1ccccc1O ZINC000018142358 567939980 /nfs/dbraw/zinc/93/99/80/567939980.db2.gz QYDFMCKWCRZBTJ-ACCUITESSA-N 0 0 267.328 3.899 50 30 CHEARN COc1ccc([C@@H](/C(Cl)=N\O)c2ccccc2)cc1 ZINC000101314384 567940994 /nfs/dbraw/zinc/94/09/94/567940994.db2.gz BGBHZWXRIOJFFB-AQTLKONXSA-N 0 0 275.735 3.854 50 30 CHEARN CC(Nc1cccc2ccccc21)=C1C(=O)CCCC1=O ZINC000102230166 567941523 /nfs/dbraw/zinc/94/15/23/567941523.db2.gz YIHUOOMRWSVGEC-UHFFFAOYSA-N 0 0 279.339 3.848 50 30 CHEARN O=C1c2ccccc2SC1=CNc1ccccc1O ZINC000103407671 567942781 /nfs/dbraw/zinc/94/27/81/567942781.db2.gz VBKYQGPHOGEPNA-ZROIWOOFSA-N 0 0 269.325 3.634 50 30 CHEARN C[C@H]1C[C@H](C)CN(c2oc(-c3ccccc3F)nc2C#N)C1 ZINC000000544590 567942874 /nfs/dbraw/zinc/94/28/74/567942874.db2.gz LOVLULPFVJNBSO-RYUDHWBXSA-N 0 0 299.349 3.835 50 30 CHEARN Cc1ccsc1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000000571148 567943501 /nfs/dbraw/zinc/94/35/01/567943501.db2.gz BOXQHXRQTLTHSU-SFQUDFHCSA-N 0 0 286.400 3.644 50 30 CHEARN CCOc1ccc(C(=O)C=CNc2ccc(OC)cc2)cc1 ZINC000051318782 567944306 /nfs/dbraw/zinc/94/43/06/567944306.db2.gz HDDJNMFUHCPYCW-OUKQBFOZSA-N 0 0 297.354 3.902 50 30 CHEARN C=C(C)COc1cc(C)cc2oc(=O)c3c(c12)CCC3 ZINC000004387731 567944889 /nfs/dbraw/zinc/94/48/89/567944889.db2.gz BZYMPXKNWDFRMA-UHFFFAOYSA-N 0 0 270.328 3.545 50 30 CHEARN Cc1cc(C)c(NC(=O)c2cccc(C#N)c2)c(C)c1 ZINC000003518798 567946704 /nfs/dbraw/zinc/94/67/04/567946704.db2.gz NNKOWXLWZSOOEN-UHFFFAOYSA-N 0 0 264.328 3.736 50 30 CHEARN CC(C)c1ncc(CN2CCCC(C)(C)[C@@H]2C#N)s1 ZINC000225586973 567953848 /nfs/dbraw/zinc/95/38/48/567953848.db2.gz MYNUBURJCRZOGA-ZDUSSCGKSA-N 0 0 277.437 3.781 50 30 CHEARN CSc1nnc(S[C@@H](C#N)C2CCCCC2)s1 ZINC000071908664 570217027 /nfs/dbraw/zinc/21/70/27/570217027.db2.gz IWVKHWIIJVCBIU-VIFPVBQESA-N 0 0 285.463 3.825 50 30 CHEARN N#CCCCCCCC(=O)c1cnccc1Cl ZINC000091676226 570255449 /nfs/dbraw/zinc/25/54/49/570255449.db2.gz PWIGUWRQNRQJTN-UHFFFAOYSA-N 0 0 250.729 3.782 50 30 CHEARN Oc1ccccc1/N=C/c1c(Cl)nc2sccn12 ZINC000100334806 570267072 /nfs/dbraw/zinc/26/70/72/570267072.db2.gz HYCBTUAGYVZECV-VGOFMYFVSA-N 0 0 277.736 3.505 50 30 CHEARN C=C(C)c1cccc(C(C)(C)NC(=O)NCCC)c1 ZINC000002842155 570310951 /nfs/dbraw/zinc/31/09/51/570310951.db2.gz ZNQJHDLGPLZRHM-UHFFFAOYSA-N 0 0 260.381 3.664 50 30 CHEARN O=C1C=C(Br)/C(=C/c2ccccc2)S1 ZINC000217498171 570312301 /nfs/dbraw/zinc/31/23/01/570312301.db2.gz YYFALLYGOOFXFJ-POHAHGRESA-N 0 0 267.147 3.580 50 30 CHEARN CC1(C)CC(=O)C=C(Nc2ccc(F)c(F)c2)C1 ZINC000000440084 570312308 /nfs/dbraw/zinc/31/23/08/570312308.db2.gz CFDCDGVFNYJPMN-UHFFFAOYSA-N 0 0 251.276 3.650 50 30 CHEARN C[C@H]1CCc2ccccc2N1Cc1ccc(C#N)cc1 ZINC000015303967 570329419 /nfs/dbraw/zinc/32/94/19/570329419.db2.gz CPAVSIMDGBOXFC-AWEZNQCLSA-N 0 0 262.356 3.900 50 30 CHEARN FC1(F)C(F)(F)[C@](F)(Cl)[C@@](F)(Cl)C1(F)F ZINC000103529427 570334965 /nfs/dbraw/zinc/33/49/65/570334965.db2.gz UMMLBZUMYNNRAK-LWMBPPNESA-N 0 0 282.945 3.715 50 30 CHEARN C=CCN(Cc1ccccn1)Cc1ccnc2ccccc12 ZINC000065423632 570335725 /nfs/dbraw/zinc/33/57/25/570335725.db2.gz KBULUFAYIDEYLR-UHFFFAOYSA-N 0 0 289.382 3.818 50 30 CHEARN C=CCOc1cccc(NC(=O)c2cccc(OCC)c2)c1 ZINC000012137933 570339377 /nfs/dbraw/zinc/33/93/77/570339377.db2.gz DIXXDCZEWSDVCA-UHFFFAOYSA-N 0 0 297.354 3.902 50 30 CHEARN Cc1nnc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000012888775 570346411 /nfs/dbraw/zinc/34/64/11/570346411.db2.gz MKBIGBXCXODBIO-UHFFFAOYSA-N 0 0 293.248 3.776 50 30 CHEARN N#Cc1ccc(Oc2ccc(Cl)c3cccnc23)nc1 ZINC000019479952 570346636 /nfs/dbraw/zinc/34/66/36/570346636.db2.gz FCGGEJYEHFDFKX-UHFFFAOYSA-N 0 0 281.702 3.947 50 30 CHEARN N#C[C@@H]1CCCc2ccccc2N1Cc1ccccc1 ZINC000146689807 570349800 /nfs/dbraw/zinc/34/98/00/570349800.db2.gz KGGWLAARRLDQIE-KRWDZBQOSA-N 0 0 262.356 3.922 50 30 CHEARN CC(=NNC(=S)Nc1cccc(C)c1)c1ccccc1 ZINC000252444372 570374465 /nfs/dbraw/zinc/37/44/65/570374465.db2.gz MCJIXNUKGJCWRD-UHFFFAOYSA-N 0 0 283.400 3.706 50 30 CHEARN C=CCSc1nc(-c2cccs2)ccc1C#N ZINC000002176797 570374992 /nfs/dbraw/zinc/37/49/92/570374992.db2.gz KAEBOULOQMGRES-UHFFFAOYSA-N 0 0 258.371 3.960 50 30 CHEARN CCOc1ccc(N=C(C)c2ccccc2O)cc1 ZINC000252632785 570376403 /nfs/dbraw/zinc/37/64/03/570376403.db2.gz VWTJQBPDALEPKS-UHFFFAOYSA-N 0 0 255.317 3.932 50 30 CHEARN CC(C)(C)OC(=O)n1cc(CC#N)c2ccc(F)cc21 ZINC000115637069 570385281 /nfs/dbraw/zinc/38/52/81/570385281.db2.gz IGEXLMJUNKYYSO-UHFFFAOYSA-N 0 0 274.295 3.630 50 30 CHEARN N#Cc1cccc(NC(=O)Cc2cccc3ccccc32)c1 ZINC000000072474 570386498 /nfs/dbraw/zinc/38/64/98/570386498.db2.gz NZBSQCNQIYZLTO-UHFFFAOYSA-N 0 0 286.334 3.893 50 30 CHEARN Cc1cc(C)c(C#N)c(SCc2ccc([N+](=O)[O-])cc2)n1 ZINC000000157428 570386833 /nfs/dbraw/zinc/38/68/33/570386833.db2.gz DUEAGAZSJQWTKX-UHFFFAOYSA-N 0 0 299.355 3.771 50 30 CHEARN Cc1cc(C)c(C(=O)OCc2ccc(C#N)cc2)c(C)c1 ZINC000000401995 570388214 /nfs/dbraw/zinc/38/82/14/570388214.db2.gz NXDUPIFVVNARSB-UHFFFAOYSA-N 0 0 279.339 3.841 50 30 CHEARN N#Cc1ccc(COc2ccc(Br)cc2)cc1 ZINC000011834273 570394483 /nfs/dbraw/zinc/39/44/83/570394483.db2.gz QVRBNGDZKNBISX-UHFFFAOYSA-N 0 0 288.144 3.900 50 30 CHEARN COCCOc1ccc(-c2nc(C)c(C)c(C)c2C#N)cc1 ZINC000426551810 570394603 /nfs/dbraw/zinc/39/46/03/570394603.db2.gz MRXQHGKXSLFZBH-UHFFFAOYSA-N 0 0 296.370 3.571 50 30 CHEARN CCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000002625439 570396944 /nfs/dbraw/zinc/39/69/44/570396944.db2.gz PJRQZKCBGUYBOL-UHFFFAOYSA-N 0 0 296.282 3.851 50 30 CHEARN C=C[C@@H](C(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000952994094 613441005 /nfs/dbraw/zinc/44/10/05/613441005.db2.gz PJJUPUMXKNIWQS-ZIAGYGMSSA-N 0 0 297.320 3.757 50 30 CHEARN C=C[C@H](C(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000952994092 613481818 /nfs/dbraw/zinc/48/18/18/613481818.db2.gz PJJUPUMXKNIWQS-KGLIPLIRSA-N 0 0 297.320 3.757 50 30 CHEARN COc1ccc(Nc2cc(C)c(C#N)c(Cl)n2)cc1 ZINC000012446183 1125491633 /nfs/dbraw/zinc/49/16/33/1125491633.db2.gz GVOYMUQGWOYKRW-UHFFFAOYSA-N 0 0 273.723 3.667 50 30 CHEARN O=C(/C=C/c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000003929787 1125714085 /nfs/dbraw/zinc/71/40/85/1125714085.db2.gz RLUCGWHVFSOBGQ-VOTSOKGWSA-N 0 0 277.245 3.997 50 30 CHEARN COc1cccc(C=Nc2ccc(C)cc2)c1OC ZINC000254347564 1127075096 /nfs/dbraw/zinc/07/50/96/1127075096.db2.gz FPWSIDFDCCCECV-UHFFFAOYSA-N 0 0 255.317 3.763 50 30 CHEARN CCN(CC)c1ccc(C=[NH+][N-]c2cccc(C)c2)c(O)c1 ZINC000254482527 1127100287 /nfs/dbraw/zinc/10/02/87/1127100287.db2.gz UJOCDIJCGVFGHE-UHFFFAOYSA-N 0 0 297.402 3.993 50 30 aggregator CHEARN CON=Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000254700221 1127150234 /nfs/dbraw/zinc/15/02/34/1127150234.db2.gz JQQMWQPRKDHRII-UHFFFAOYSA-N 0 0 291.354 3.579 50 30 CHEARN CN(C)c1ccc(C(=O)C=Cc2c[nH]nc2C(C)(C)C)cc1 ZINC000060529282 1127542771 /nfs/dbraw/zinc/54/27/71/1127542771.db2.gz IFPXQZGHCDVLNW-DHZHZOJOSA-N 0 0 297.402 3.669 50 30 CHEARN COc1ccc(/C=C2\CCOc3ccccc3C2=O)cc1 ZINC000039208006 1128463141 /nfs/dbraw/zinc/46/31/41/1128463141.db2.gz SCZXHSSASDTNOK-WYMLVPIESA-N 0 0 280.323 3.744 50 30 CHEARN N#Cc1cccc(NC(=O)/C=C\c2ccccc2Cl)c1 ZINC000033329226 1128499935 /nfs/dbraw/zinc/49/99/35/1128499935.db2.gz ZGTLGHBVGXFDCQ-HJWRWDBZSA-N 0 0 282.730 3.864 50 30 CHEARN Cc1ncsc1C(=O)/C=C\c1ccc(F)c(F)c1 ZINC000048455609 1128711049 /nfs/dbraw/zinc/71/10/49/1128711049.db2.gz VBXXMFOWZQTZND-HYXAFXHYSA-N 0 0 265.284 3.626 50 30 CHEARN CC(C)(C)[C@@H](C#N)NC(=O)c1cc2cc(F)ccc2s1 ZINC000085431961 1118122236 /nfs/dbraw/zinc/12/22/36/1118122236.db2.gz QKYZAIVDXOQACM-CYBMUJFWSA-N 0 0 290.363 3.708 50 30 CHEARN O=C1c2ccccc2C2=C1CC1=C(O2)c2ccccc2C1=O ZINC000022019027 1118172737 /nfs/dbraw/zinc/17/27/37/1118172737.db2.gz OYZCJFKLZIPXJL-UHFFFAOYSA-N 0 0 286.286 3.622 50 30 CHEARN Cc1nsc(N2CCC[C@H]2c2cccs2)c1C#N ZINC000242147461 1128811061 /nfs/dbraw/zinc/81/10/61/1128811061.db2.gz WSAZUOGVQYKXAE-NSHDSACASA-N 0 0 275.402 3.726 50 30 CHEARN NC(=O)c1ccccc1N=Cc1ccc2ccccc2c1 ZINC000252460443 1119529341 /nfs/dbraw/zinc/52/93/41/1119529341.db2.gz FKWKKXVFFOONMY-UHFFFAOYSA-N 0 0 274.323 3.689 50 30 CHEARN Cc1cc(N2CC[C@@H](C)C2)n2c3ccccc3nc2c1C#N ZINC000075582063 1120262059 /nfs/dbraw/zinc/26/20/59/1120262059.db2.gz PETYTAHXYHZKKT-GFCCVEGCSA-N 0 0 290.370 3.514 50 30 CHEARN COc1cc(/C=C/C(=O)c2ccc(C)o2)cc(Cl)c1O ZINC000014198345 1120329218 /nfs/dbraw/zinc/32/92/18/1120329218.db2.gz UZBSCOUUPHLFIW-SNAWJCMRSA-N 0 0 292.718 3.852 50 30 CHEARN COc1ccc(C(=O)/C=C\c2cccs2)cc1OC ZINC000012952542 1120522086 /nfs/dbraw/zinc/52/20/86/1120522086.db2.gz OTDMQXNDRHCXPL-SREVYHEPSA-N 0 0 274.341 3.661 50 30 CHEARN COc1ccc(CC(C)N=Nc2nc3ccccc3[nH]2)cc1 ZINC000606347342 1121665111 /nfs/dbraw/zinc/66/51/11/1121665111.db2.gz GQWCHTJGYBFIDS-UHFFFAOYSA-N 0 0 294.358 3.602 50 30 CHEARN CC(N=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000254592825 1121683259 /nfs/dbraw/zinc/68/32/59/1121683259.db2.gz IXLWBQGBCAUUAF-UHFFFAOYSA-N 0 0 287.241 3.811 50 30 CHEARN N#CCCC(C#N)(CCC#N)c1nc2ccccc2s1 ZINC000015223060 1121787266 /nfs/dbraw/zinc/78/72/66/1121787266.db2.gz WGQMNRNVLCGYJI-UHFFFAOYSA-N 0 0 280.356 3.665 50 30 CHEARN O=[N+]([O-])c1ccccc1N=NCc1ccccc1Cl ZINC000031857603 1122853686 /nfs/dbraw/zinc/85/36/86/1122853686.db2.gz VMYPXLBUMROAIU-DHDCSXOGSA-N 0 0 275.695 3.694 50 30 CHEARN NC(=NOCCOc1ccc2ccccc2c1)C1CCCC1 ZINC000084605995 1123303285 /nfs/dbraw/zinc/30/32/85/1123303285.db2.gz ZLZSMGUGIMNCCQ-UHFFFAOYSA-N 0 0 298.386 3.698 50 30 CHEARN COc1ccc(Cl)cc1COc1ccccc1C#N ZINC000015800947 1123651784 /nfs/dbraw/zinc/65/17/84/1123651784.db2.gz OOGDOKYDLVTSEA-UHFFFAOYSA-N 0 0 273.719 3.799 50 30 CHEARN C=CCN1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S ZINC000033399228 1124037910 /nfs/dbraw/zinc/03/79/10/1124037910.db2.gz GGUDXSKINSZTAS-RAXLEYEMSA-N 0 0 289.425 3.636 50 30 CHEARN N#Cc1c2c(c(=S)n3c4ccccc4[nH]c13)CCC2 ZINC000002585235 1125432082 /nfs/dbraw/zinc/43/20/82/1125432082.db2.gz MYVOKMUBVIQRTI-UHFFFAOYSA-N 0 0 265.341 3.510 50 30 CHEARN O=C1c2ccc(O)c(O)c2C/C1=C\c1ccccc1Cl ZINC000089808223 1129255212 /nfs/dbraw/zinc/25/52/12/1129255212.db2.gz RZHAXEVXNNMPER-JXMROGBWSA-N 0 0 286.714 3.574 50 30 CHEARN C=CCSCC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000096002289 1129502936 /nfs/dbraw/zinc/50/29/36/1129502936.db2.gz SXDLXNCQHGQFLO-SIFUEBAJSA-N 0 0 287.428 3.610 50 30 CHEARN COc1cccc(/C=C\C(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000096767114 1129550954 /nfs/dbraw/zinc/55/09/54/1129550954.db2.gz VWDSGEBDLACRDW-CLFYSBASSA-N 0 0 297.310 3.808 50 30 CHEARN O=C(/C=C\c1ccsc1)c1ccc2c(c1)CCC(=O)N2 ZINC000097152385 1129586244 /nfs/dbraw/zinc/58/62/44/1129586244.db2.gz AQRARBQPWLDEAB-KTAJNNJTSA-N 0 0 283.352 3.529 50 30 CHEARN CCOc1cc(/C=C\C(=O)c2ccc(F)cc2)ccc1O ZINC000097993005 1129636379 /nfs/dbraw/zinc/63/63/79/1129636379.db2.gz ZVGMGPGVOARQOV-OQFOIZHKSA-N 0 0 286.302 3.826 50 30 CHEARN COc1cccc(/C=C\C(=O)/C=C/c2ccc(C#N)cc2)c1 ZINC000097996516 1129636797 /nfs/dbraw/zinc/63/67/97/1129636797.db2.gz MQEDKELWTMAMRP-IXIPZQGVSA-N 0 0 289.334 3.863 50 30 CHEARN CN(C)c1ccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000098053739 1129641995 /nfs/dbraw/zinc/64/19/95/1129641995.db2.gz PUOMVBOKQMHOJU-WDZFZDKYSA-N 0 0 296.326 3.557 50 30 CHEARN CC(=[NH+][N-]c1nc2ccccc2s1)c1cccc(N)c1 ZINC000254295823 1129682150 /nfs/dbraw/zinc/68/21/50/1129682150.db2.gz FXVHJKNCZUSYJH-UHFFFAOYSA-N 0 0 282.372 3.715 50 30 CHEARN Fc1cccc(F)c1C=Nc1cccnc1Cl ZINC000254593496 1129702564 /nfs/dbraw/zinc/70/25/64/1129702564.db2.gz MOTBVQYIEYNNJL-UHFFFAOYSA-N 0 0 252.651 3.764 50 30 CHEARN CC(=CCc1ccco1)N=Nc1ccc([N+](=O)[O-])cc1 ZINC000254633229 1129703301 /nfs/dbraw/zinc/70/33/01/1129703301.db2.gz YNAXMLAOOUQJLX-JDHIIMCOSA-N 0 0 271.276 3.689 50 30 CHEARN CCc1ccc(-c2nn(-c3ccccc3)cc2C=NO)cc1 ZINC000254823718 1129711577 /nfs/dbraw/zinc/71/15/77/1129711577.db2.gz XLGFNGMPXRMQPB-UHFFFAOYSA-N 0 0 291.354 3.910 50 30 CHEARN CC(=NOCC(=O)Nc1c(C)cccc1C)c1ccccc1 ZINC000254815603 1129711816 /nfs/dbraw/zinc/71/18/16/1129711816.db2.gz ANPHKXTXQCEYCS-UHFFFAOYSA-N 0 0 296.370 3.683 50 30 CHEARN Cc1ccc(/N=C/c2c(O)ccc3ccccc32)nc1 ZINC000096576793 230385836 /nfs/dbraw/zinc/38/58/36/230385836.db2.gz VIKWCECQLQVWHC-YBFXNURJSA-N 0 0 262.312 3.999 50 30 CHEARN Cc1csc([C@H](C#N)C(=O)c2cc(C)n(C3CC3)c2C)n1 ZINC000097048949 230386513 /nfs/dbraw/zinc/38/65/13/230386513.db2.gz AEVKTXJRULALAF-CQSZACIVSA-N 0 0 299.399 3.695 50 30 CHEARN FC(F)(F)c1ccc(N=NC2CCCCC2)nc1 ZINC000004062437 230368052 /nfs/dbraw/zinc/36/80/52/230368052.db2.gz OKCYNJRWDZMXQB-UHFFFAOYSA-N 0 0 257.259 3.832 50 30 CHEARN C[C@H](Nc1ccc2c(c1)NC(=O)CC2)c1cccc(C#N)c1 ZINC000179882254 230395864 /nfs/dbraw/zinc/39/58/64/230395864.db2.gz TUHAEBMSSDGPMP-LBPRGKRZSA-N 0 0 291.354 3.616 50 30 CHEARN C[C@@]12CC[C@@H]3[C@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O ZINC000254013586 230401467 /nfs/dbraw/zinc/40/14/67/230401467.db2.gz UMDCOKNNLDEKJB-HMSXXHTOSA-N 0 0 286.415 3.655 50 30 CHEARN Cc1ccoc1C(=O)Nc1ccccc1SCCC#N ZINC000095953546 185041214 /nfs/dbraw/zinc/04/12/14/185041214.db2.gz UGJFKEQHWZAWNV-UHFFFAOYSA-N 0 0 286.356 3.846 50 30 CHEARN N#CCCSc1ccccc1NC(=O)[C@H]1CC=CCC1 ZINC000095953507 185041233 /nfs/dbraw/zinc/04/12/33/185041233.db2.gz UNCFRECFIKUZJD-ZDUSSCGKSA-N 0 0 286.400 3.987 50 30 CHEARN N#Cc1ccc(F)cc1CN1CC=C(c2ccccc2)CC1 ZINC000095965736 185045995 /nfs/dbraw/zinc/04/59/95/185045995.db2.gz BGVGKEKEMNDQRK-UHFFFAOYSA-N 0 0 292.357 3.987 50 30 CHEARN C=C(Br)CN[C@@H](CCC#N)c1ccccc1 ZINC000095986030 185056180 /nfs/dbraw/zinc/05/61/80/185056180.db2.gz HSVNCFLMEGDSBE-ZDUSSCGKSA-N 0 0 279.181 3.530 50 30 CHEARN C[C@@H](c1ccc(F)cc1)[S@](=O)CCCC(C)(C)C#N ZINC000083079953 178337784 /nfs/dbraw/zinc/33/77/84/178337784.db2.gz FMLVWECCVYWMTD-BUXKBTBVSA-N 0 0 281.396 3.965 50 30 CHEARN N#Cc1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1 ZINC000096766550 185112219 /nfs/dbraw/zinc/11/22/19/185112219.db2.gz FSEDHFJMNWHTMD-YHYXMXQVSA-N 0 0 251.260 3.593 50 30 CHEARN N#Cc1ccc(/C=C\C(=O)c2ccc3c(c2)CCC3)cc1 ZINC000096765942 185112562 /nfs/dbraw/zinc/11/25/62/185112562.db2.gz CPTLLCHFVDHAHU-FLIBITNWSA-N 0 0 273.335 3.943 50 30 CHEARN C[C@@H](c1cccs1)N(C)C(=O)/C=C\c1ccccc1C#N ZINC000096793791 185114965 /nfs/dbraw/zinc/11/49/65/185114965.db2.gz WUHLTOQYPZDRAB-XPSMFNQNSA-N 0 0 296.395 3.853 50 30 CHEARN COc1cc(C(=O)/C=C\c2ccc(Cl)cc2)ccc1O ZINC000096792745 185115038 /nfs/dbraw/zinc/11/50/38/185115038.db2.gz REMYTIQITMSNEO-YWEYNIOJSA-N 0 0 288.730 3.950 50 30 CHEARN O=C1c2cccn2C/C1=C/c1ccc2ccccc2c1 ZINC000096941989 185134067 /nfs/dbraw/zinc/13/40/67/185134067.db2.gz BNKNTNVWBIYFRE-WJDWOHSUSA-N 0 0 259.308 3.921 50 30 CHEARN N#CC[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000097013632 185151568 /nfs/dbraw/zinc/15/15/68/185151568.db2.gz UBNOQCQZWWWDOE-ZDUSSCGKSA-N 0 0 285.278 3.801 50 30 CHEARN Fc1cccc(/N=C/c2cc(F)c(F)c(F)c2)c1 ZINC000100041356 185702115 /nfs/dbraw/zinc/70/21/15/185702115.db2.gz NKJIHZBYUWZWLR-CNHKJKLMSA-N 0 0 253.198 3.994 50 30 CHEARN Cc1c(Cl)cc(C(=O)N2CCC[C@@H](C#N)C2)cc1Cl ZINC000091593874 180201899 /nfs/dbraw/zinc/20/18/99/180201899.db2.gz DJKAJTSAUMXVFM-JTQLQIEISA-N 0 0 297.185 3.678 50 30 CHEARN Cc1ccc(NC2=C([N+](=O)[O-])C(=O)c3ccccc32)c(C)c1 ZINC000105370161 186055272 /nfs/dbraw/zinc/05/52/72/186055272.db2.gz BZRPXPSPVJQCBM-UHFFFAOYSA-N 0 0 294.310 3.557 50 30 CHEARN C=CCSc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000002585247 169814319 /nfs/dbraw/zinc/81/43/19/169814319.db2.gz JXKNFYJHAARHDR-UHFFFAOYSA-N 0 0 279.368 3.946 50 30 CHEARN Cc1ccc(F)cc1CNc1oc(C(C)C)nc1C#N ZINC000334162990 206124004 /nfs/dbraw/zinc/12/40/04/206124004.db2.gz TUCXDHQIVBOYED-UHFFFAOYSA-N 0 0 273.311 3.729 50 30 CHEARN Cn1cc(-c2ccc(/C=C/c3ccc(C#N)cn3)s2)cn1 ZINC000252509362 189979842 /nfs/dbraw/zinc/97/98/42/189979842.db2.gz YMDAGURLEDMZDM-SNAWJCMRSA-N 0 0 292.367 3.586 50 30 CHEARN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1[C@H]1O[C@H]1C2=O ZINC000257356669 190037654 /nfs/dbraw/zinc/03/76/54/190037654.db2.gz JORKPPZTZOSXIM-QAXASXFYSA-N 0 0 288.431 3.976 50 30 CHEARN N#Cc1ccc([C@@H]2Nc3cc(Cl)ccc3O2)cc1 ZINC000000090696 169532673 /nfs/dbraw/zinc/53/26/73/169532673.db2.gz SURMLYJWLLIAHN-CQSZACIVSA-N 0 0 256.692 3.715 50 30 CHEARN COc1ccccc1/C=C1\CCc2ccccc2C1=O ZINC000000103113 169537380 /nfs/dbraw/zinc/53/73/80/169537380.db2.gz FLTXETIZXYAOLF-NTCAYCPXSA-N 0 0 264.324 3.908 50 30 CHEARN S=C(NN=C1CCCCCC1)Nc1ccccc1 ZINC000000167789 169561222 /nfs/dbraw/zinc/56/12/22/169561222.db2.gz ZPVSMETWFCNTHX-UHFFFAOYSA-N 0 0 261.394 3.683 50 30 CHEARN Cc1ccc(C(=O)/C=C/Sc2nccc(C)n2)cc1 ZINC000000174408 169563970 /nfs/dbraw/zinc/56/39/70/169563970.db2.gz JJBUWOVRNFFNLE-CSKARUKUSA-N 0 0 270.357 3.582 50 30 CHEARN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCCC2)c1 ZINC000000258287 169589347 /nfs/dbraw/zinc/58/93/47/169589347.db2.gz PGYOJSVHHIFEBK-UHFFFAOYSA-N 0 0 272.392 3.760 50 30 CHEARN N#CC1=C(N)C(c2ccccc2)(c2ccccc2)CC1 ZINC000000391294 169627836 /nfs/dbraw/zinc/62/78/36/169627836.db2.gz VLYVWDHSBNJOES-AWEZNQCLSA-N 0 0 260.340 3.926 50 30 CHEARN O=C(NC1CCCCC1)O/N=C/c1ccccc1Cl ZINC000000438251 169640669 /nfs/dbraw/zinc/64/06/69/169640669.db2.gz DYWBBXAMAIBQJU-MHWRWJLKSA-N 0 0 280.755 3.733 50 30 CHEARN Cc1ccc(O)c(NC=CC(=O)c2ccc(F)cc2)c1 ZINC000000465248 169647838 /nfs/dbraw/zinc/64/78/38/169647838.db2.gz FRUIJPNICDVKDH-CMDGGOBGSA-N 0 0 271.291 3.648 50 30 CHEARN COc1ccc(Cl)cc1-c1csc(CC#N)n1 ZINC000000495653 169656120 /nfs/dbraw/zinc/65/61/20/169656120.db2.gz VFLIWVRCKJFOBT-UHFFFAOYSA-N 0 0 264.737 3.538 50 30 CHEARN CC1(C)Cc2cccc(CNc3ccccc3C#N)c2O1 ZINC000080506704 177659158 /nfs/dbraw/zinc/65/91/58/177659158.db2.gz HDCXKRYLIGVUNV-UHFFFAOYSA-N 0 0 278.355 3.884 50 30 CHEARN C(=N/c1ccc2c(c1)OCO2)\c1c[nH]c2ccccc12 ZINC000000571310 169670529 /nfs/dbraw/zinc/67/05/29/169670529.db2.gz KYFJQQKLAQMOCU-CAOOACKPSA-N 0 0 264.284 3.647 50 30 CHEARN CCCN1c2ccccc2/C(=C/C(=O)c2cccs2)C1=O ZINC000000620942 169677353 /nfs/dbraw/zinc/67/73/53/169677353.db2.gz SAAJSYKVXCIASO-QBFSEMIESA-N 0 0 297.379 3.771 50 30 CHEARN O=C(/C=C/c1ccccc1)/C=C/c1ccc2c(c1)OCO2 ZINC000002155723 169776964 /nfs/dbraw/zinc/77/69/64/169776964.db2.gz LZQONVNSDHINSR-KZZDLZNXSA-N 0 0 278.307 3.711 50 30 CHEARN C=C(C)COc1ccc2c3c(c(=O)oc2c1C)CCCC3 ZINC000002433601 169791599 /nfs/dbraw/zinc/79/15/99/169791599.db2.gz ROZPMMSASWIFQQ-UHFFFAOYSA-N 0 0 284.355 3.935 50 30 CHEARN CC(=O)Nc1ccc(NC=CC(=O)c2cccc(C)c2)cc1 ZINC000002794065 169831989 /nfs/dbraw/zinc/83/19/89/169831989.db2.gz AXDDLPWOXONFEX-ZHACJKMWSA-N 0 0 294.354 3.762 50 30 CHEARN CN(C)c1ccc([C@H]2O[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000003121387 169857717 /nfs/dbraw/zinc/85/77/17/169857717.db2.gz XNADSOQHMLVBEF-QZTJIDSGSA-N 0 0 282.387 3.631 50 30 CHEARN CCCCCCCCOc1ccc([C@H]([NH3+])CC(=O)[O-])cc1 ZINC000003153719 169860774 /nfs/dbraw/zinc/86/07/74/169860774.db2.gz INDITZAUKPWKKM-MRXNPFEDSA-N 0 0 293.407 3.900 50 30 CHEARN C(=N/c1nccs1)\c1c2ccccc2n2c1NCCC2 ZINC000003176324 169865370 /nfs/dbraw/zinc/86/53/70/169865370.db2.gz RAIASPKTZGDWTQ-VCHYOVAHSA-N 0 0 282.372 3.664 50 30 CHEARN Cc1ccc(C(=O)OCc2ccc(C#N)cc2)cc1C ZINC000003556064 169896856 /nfs/dbraw/zinc/89/68/56/169896856.db2.gz VBLPJWGHUWVNHN-UHFFFAOYSA-N 0 0 265.312 3.532 50 30 CHEARN Cc1csc(N=NCc2c(F)cccc2Cl)n1 ZINC000003958887 169926917 /nfs/dbraw/zinc/92/69/17/169926917.db2.gz FBHDZLAOIJKVRR-LHHJGKSTSA-N 0 0 269.732 3.690 50 30 CHEARN Cc1ccc(N(C)/N=C/c2ccc(Cl)cc2Cl)nn1 ZINC000004300520 169955658 /nfs/dbraw/zinc/95/56/58/169955658.db2.gz RTZHPMFQRIGOIK-LZYBPNLTSA-N 0 0 295.173 3.562 50 30 CHEARN CC1=NN([C@@H](C#N)c2ccccc2O)[C@H](c2ccccc2)C1 ZINC000004698654 170001031 /nfs/dbraw/zinc/00/10/31/170001031.db2.gz UHLAYLCGCDNPDG-IRXDYDNUSA-N 0 0 291.354 3.780 50 30 CHEARN CC1(C)CCC(=O)/C(=C\c2ccc(Cl)s2)C1=O ZINC000004709833 170003207 /nfs/dbraw/zinc/00/32/07/170003207.db2.gz QZKVORKOVJKFQX-VQHVLOKHSA-N 0 0 268.765 3.743 50 30 CHEARN N#Cc1ccsc1NC(=O)c1c(F)cccc1Cl ZINC000004749626 170011399 /nfs/dbraw/zinc/01/13/99/170011399.db2.gz DKTKCUDXAZKIJL-UHFFFAOYSA-N 0 0 280.711 3.665 50 30 CHEARN C[C@@H]1CCc2nc(N=NCc3ccccc3F)sc2C1 ZINC000004749564 170011402 /nfs/dbraw/zinc/01/14/02/170011402.db2.gz BZEZZWOJWYPLFO-LGQZLYSRSA-N 0 0 289.379 3.853 50 30 CHEARN C#CC(CC)(CC)NC(=O)c1csc(C)c1CC ZINC000004749697 170011505 /nfs/dbraw/zinc/01/15/05/170011505.db2.gz XSRROTCXWATNNM-UHFFFAOYSA-N 0 0 263.406 3.541 50 30 CHEARN N#Cc1ccccc1OCc1ccccc1Br ZINC000004826031 170024305 /nfs/dbraw/zinc/02/43/05/170024305.db2.gz QOPTVGJBSUSHTG-UHFFFAOYSA-N 0 0 288.144 3.900 50 30 CHEARN Cc1cccc(NC(=O)c2ccc(C#N)cc2F)c1C ZINC000004839970 170027362 /nfs/dbraw/zinc/02/73/62/170027362.db2.gz BTSCQKGYTPMVIP-UHFFFAOYSA-N 0 0 268.291 3.567 50 30 CHEARN Cc1c(Cl)cccc1NC(=O)c1ccc(C#N)cc1F ZINC000004850984 170030272 /nfs/dbraw/zinc/03/02/72/170030272.db2.gz FXYODUQYNSHINC-UHFFFAOYSA-N 0 0 288.709 3.912 50 30 CHEARN COc1cccc(C(=O)/C=C/c2sccc2C)c1 ZINC000005073005 170064302 /nfs/dbraw/zinc/06/43/02/170064302.db2.gz IWWSEKAJEGXLNY-VOTSOKGWSA-N 0 0 258.342 3.961 50 30 CHEARN C=CCn1c(SCCC)nc2c3ccccc3[nH]c2c1=O ZINC000005106730 170066795 /nfs/dbraw/zinc/06/67/95/170066795.db2.gz OPPDMKXXAREBMI-UHFFFAOYSA-N 0 0 299.399 3.566 50 30 CHEARN CC1(C)CC(=O)C=C(Nc2ccc(Cl)cc2N)C1 ZINC000005190409 170074871 /nfs/dbraw/zinc/07/48/71/170074871.db2.gz SPMQMVCURANVJN-UHFFFAOYSA-N 0 0 264.756 3.607 50 30 CHEARN CC[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000005197105 170075191 /nfs/dbraw/zinc/07/51/91/170075191.db2.gz GBZOHZBOTNIKPN-LLVKDONJSA-N 0 0 270.376 3.946 50 30 CHEARN CC[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000005197156 170075249 /nfs/dbraw/zinc/07/52/49/170075249.db2.gz GBZOHZBOTNIKPN-NSHDSACASA-N 0 0 270.376 3.946 50 30 CHEARN COc1ccc(/C=C/c2ccnc(SCCC#N)n2)cc1 ZINC000005249137 170079334 /nfs/dbraw/zinc/07/93/34/170079334.db2.gz CATLPLFHSSUABS-ZZXKWVIFSA-N 0 0 297.383 3.661 50 30 CHEARN Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccccc1[N+](=O)[O-] ZINC000005379138 170091745 /nfs/dbraw/zinc/09/17/45/170091745.db2.gz CHGMNAGYYIIQPL-OQLLNIDSSA-N 0 0 285.259 3.562 50 30 CHEARN Cc1cccc(/C=N/c2ccc([N+](=O)[O-])cc2C)c1 ZINC000005418231 170096917 /nfs/dbraw/zinc/09/69/17/170096917.db2.gz GJECWBZPUDCRIR-MHWRWJLKSA-N 0 0 254.289 3.962 50 30 CHEARN CCc1c(C)sc(NC(=O)c2cccc(F)c2)c1C#N ZINC000005477121 170103126 /nfs/dbraw/zinc/10/31/26/170103126.db2.gz ZTMIWJSHOARCSO-UHFFFAOYSA-N 0 0 288.347 3.882 50 30 CHEARN OC[C@@H](/N=C(/c1ccccc1)C(F)(F)F)c1ccccc1 ZINC000005604214 170119131 /nfs/dbraw/zinc/11/91/31/170119131.db2.gz NNULSLZUCWLDJK-MYKQLWFJSA-N 0 0 293.288 3.772 50 30 CHEARN CSc1nc(NCC(C)C)c(C#N)c(-c2ccccc2)n1 ZINC000005607385 170119542 /nfs/dbraw/zinc/11/95/42/170119542.db2.gz HLXASLSCZQYPLN-UHFFFAOYSA-N 0 0 298.415 3.805 50 30 CHEARN C=CCNc1nnc(SC/C=C/c2ccccc2)s1 ZINC000005784733 170140310 /nfs/dbraw/zinc/14/03/10/170140310.db2.gz MJSPKPMPWSGTOE-RMKNXTFCSA-N 0 0 289.429 3.942 50 30 CHEARN C=CCn1c(COc2cccc3ccccc32)n[nH]c1=S ZINC000005817012 170142723 /nfs/dbraw/zinc/14/27/23/170142723.db2.gz JTKDKYBPLTVNBW-UHFFFAOYSA-N 0 0 297.383 3.859 50 30 CHEARN C=CCN1C(=S)N=NC1c1ccc(Cl)c(Cl)c1 ZINC000005817020 170142815 /nfs/dbraw/zinc/14/28/15/170142815.db2.gz MRLFJUYOVZAQLK-UHFFFAOYSA-N 0 0 286.187 3.727 50 30 CHEARN Cc1cccc(NC(=S)NN=C2CCCC2)c1C ZINC000006288408 170188752 /nfs/dbraw/zinc/18/87/52/170188752.db2.gz PCIAMUNUBDYMOH-UHFFFAOYSA-N 0 0 261.394 3.520 50 30 CHEARN CCOc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1OC ZINC000006338457 170193423 /nfs/dbraw/zinc/19/34/23/170193423.db2.gz AZMNFNUSAHWFNK-ONNFQVAWSA-N 0 0 298.338 3.696 50 30 CHEARN CCn1ccc(/C=C/C(=O)c2ccc3ccccc3c2)n1 ZINC000006490321 170205992 /nfs/dbraw/zinc/20/59/92/170205992.db2.gz ORYUSHYWQDWVOS-MDZDMXLPSA-N 0 0 276.339 3.952 50 30 CHEARN C=CCn1c(=S)[nH]nc1[C@@H](C)Oc1ccc(CC)cc1 ZINC000006489944 170206029 /nfs/dbraw/zinc/20/60/29/170206029.db2.gz SISVWVRKVKLMOC-LLVKDONJSA-N 0 0 289.404 3.829 50 30 CHEARN C#CC(CC)(CC)NC(=O)c1oc2ccccc2c1C ZINC000006591669 170217560 /nfs/dbraw/zinc/21/75/60/170217560.db2.gz NSDIHXZNQYAHEC-UHFFFAOYSA-N 0 0 269.344 3.663 50 30 CHEARN Cc1c(C)n(Cc2cccc(C(F)(F)F)c2)c(N)c1C#N ZINC000006668652 170224389 /nfs/dbraw/zinc/22/43/89/170224389.db2.gz WAECZSFENMXHKX-UHFFFAOYSA-N 0 0 293.292 3.626 50 30 CHEARN C#CC(CC)(CC)NC(=O)Nc1ccc(CC)cc1 ZINC000006699654 170228513 /nfs/dbraw/zinc/22/85/13/170228513.db2.gz CUOARYWBASJBKA-UHFFFAOYSA-N 0 0 258.365 3.563 50 30 CHEARN Cc1c2ccccc2oc1C(=O)Nc1ccccc1C#N ZINC000006726202 170233306 /nfs/dbraw/zinc/23/33/06/170233306.db2.gz UTTCAHPGUVNWSL-UHFFFAOYSA-N 0 0 276.295 3.865 50 30 CHEARN C=CCC(C#N)(CC=C)c1ccc(OC)c(OC)c1 ZINC000006744020 170238838 /nfs/dbraw/zinc/23/88/38/170238838.db2.gz WBKOLEXBLIOIIG-UHFFFAOYSA-N 0 0 257.333 3.617 50 30 biogenic CHEARN Cc1cc(O)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000006757340 170241461 /nfs/dbraw/zinc/24/14/61/170241461.db2.gz XPTBMGKEWIZVHJ-AUWJEWJLSA-N 0 0 286.714 3.970 50 30 CHEARN C=CCSc1nnc(NC(=O)[C@@H](CC)CCCC)s1 ZINC000006833872 170247724 /nfs/dbraw/zinc/24/77/24/170247724.db2.gz KFYTYCUQDUCMGY-JTQLQIEISA-N 0 0 299.465 3.971 50 30 CHEARN Cc1c(/C=C/C(=O)c2ccc3ccccc3c2)cnn1C ZINC000006921740 170255307 /nfs/dbraw/zinc/25/53/07/170255307.db2.gz JTYVEOJQEPEVSU-MDZDMXLPSA-N 0 0 276.339 3.778 50 30 CHEARN CCc1ccc(/C=C/C(=O)c2ccccc(NC)c2=O)cc1 ZINC000007089654 170267062 /nfs/dbraw/zinc/26/70/62/170267062.db2.gz YTTZEMIZKISWCH-OUKQBFOZSA-N 0 0 293.366 3.547 50 30 CHEARN CCCCNc1oc(/C=C/c2cccc(OC)c2)nc1C#N ZINC000007261762 170273942 /nfs/dbraw/zinc/27/39/42/170273942.db2.gz FNXQZZRXGRBABN-CMDGGOBGSA-N 0 0 297.358 3.937 50 30 CHEARN N#Cc1ccc(COC(=O)c2ccc(Cl)cc2F)cc1 ZINC000007531473 170289833 /nfs/dbraw/zinc/28/98/33/170289833.db2.gz PWSXTCTVVJUBFV-UHFFFAOYSA-N 0 0 289.693 3.708 50 30 CHEARN C[C@@H](SC1CCCCC1)C(=O)Nc1cccc(C#N)c1 ZINC000007602964 170292909 /nfs/dbraw/zinc/29/29/09/170292909.db2.gz LVDCHOUYNASRGZ-GFCCVEGCSA-N 0 0 288.416 3.951 50 30 CHEARN CC(=O)Nc1ccc(SCc2ccccc2C#N)cc1 ZINC000007705296 170298657 /nfs/dbraw/zinc/29/86/57/170298657.db2.gz WBJXRYHBXQNBIO-UHFFFAOYSA-N 0 0 282.368 3.809 50 30 CHEARN Cc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 ZINC000007743654 170300285 /nfs/dbraw/zinc/30/02/85/170300285.db2.gz ZERYUTWRXNLWRB-FNORWQNLSA-N 0 0 266.296 3.620 50 30 CHEARN CC(=O)Nc1ccc(Sc2cccc(F)c2C#N)cc1 ZINC000007906534 170307226 /nfs/dbraw/zinc/30/72/26/170307226.db2.gz CFMGRDUOWDRUIE-UHFFFAOYSA-N 0 0 286.331 3.807 50 30 CHEARN O=C(/C=C/c1ccc(F)c(F)c1)c1cccc(O)c1 ZINC000008322413 170331139 /nfs/dbraw/zinc/33/11/39/170331139.db2.gz JZTHGMXTYYBKAB-FNORWQNLSA-N 0 0 260.239 3.567 50 30 CHEARN C=CCOc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000008497568 170338012 /nfs/dbraw/zinc/33/80/12/170338012.db2.gz RLMJWNBATOYIQX-UHFFFAOYSA-N 0 0 292.338 3.570 50 30 CHEARN CCc1ccccc1Nc1nnc(S[C@H](C)C#N)s1 ZINC000008710885 170348603 /nfs/dbraw/zinc/34/86/03/170348603.db2.gz WBBSJMNMTGPORZ-SECBINFHSA-N 0 0 290.417 3.848 50 30 CHEARN N#C[C@@H](c1nc2ccccc2[nH]1)c1nc2ccccc2s1 ZINC000008863420 170357822 /nfs/dbraw/zinc/35/78/22/170357822.db2.gz SJHDRTCEBQYPLA-JTQLQIEISA-N 0 0 290.351 3.828 50 30 CHEARN C=CCOc1ccccc1NC(=O)c1cccc(C)c1 ZINC000009814989 170386125 /nfs/dbraw/zinc/38/61/25/170386125.db2.gz XSOMZYLUQRKRLG-UHFFFAOYSA-N 0 0 267.328 3.812 50 30 CHEARN N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC000009894997 170389060 /nfs/dbraw/zinc/38/90/60/170389060.db2.gz OECRRFQZOUXUPL-QGZVFWFLSA-N 0 0 276.339 3.536 50 30 CHEARN N#Cc1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000010824877 170412315 /nfs/dbraw/zinc/41/23/15/170412315.db2.gz HOJUPDDNTVQZQD-UHFFFAOYSA-N 0 0 280.371 3.713 50 30 CHEARN COc1cc(C#N)ccc1OCc1cccc2cccnc21 ZINC000010902986 170413319 /nfs/dbraw/zinc/41/33/19/170413319.db2.gz KDCNQVIYMZSNNJ-UHFFFAOYSA-N 0 0 290.322 3.694 50 30 CHEARN C[C@@H]1Cc2ccccc2N1Cc1cc(C#N)ccc1F ZINC000011192955 170416285 /nfs/dbraw/zinc/41/62/85/170416285.db2.gz XQWISZUGAHYVAI-GFCCVEGCSA-N 0 0 266.319 3.649 50 30 CHEARN C=CCNC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000012985155 170526187 /nfs/dbraw/zinc/52/61/87/170526187.db2.gz ROVNJCXTFGTWLC-QGZVFWFLSA-N 0 0 280.371 3.570 50 30 CHEARN Cc1cc(/C=C2\COc3ccccc3C2=O)cc(C)c1O ZINC000013140923 170536092 /nfs/dbraw/zinc/53/60/92/170536092.db2.gz ALIWPHSJPQMBSC-NTEUORMPSA-N 0 0 280.323 3.668 50 30 CHEARN Cc1noc2c1[C@@H](c1ccccc1F)C1=C(CCCC1=O)N2 ZINC000013721592 170581666 /nfs/dbraw/zinc/58/16/66/170581666.db2.gz FQUHTHHGYGNTJO-OAHLLOKOSA-N 0 0 298.317 3.687 50 30 CHEARN Cc1nc(N)c(C#N)c(-c2cccnc2)c1-c1ccccc1 ZINC000020330842 171151947 /nfs/dbraw/zinc/15/19/47/171151947.db2.gz OPGKBZZVKDQNPA-UHFFFAOYSA-N 0 0 286.338 3.573 50 30 CHEARN CC(C)(S)CNc1ncc(C(F)(F)F)cc1Cl ZINC000020365307 171164378 /nfs/dbraw/zinc/16/43/78/171164378.db2.gz BZKGRLGOVMWZQS-UHFFFAOYSA-N 0 0 284.734 3.874 50 30 CHEARN N#C[C@@H](c1c(Cl)cccc1Cl)N1CCSCC1 ZINC000020421169 171186850 /nfs/dbraw/zinc/18/68/50/171186850.db2.gz OUUJEUIBNSAYIK-NSHDSACASA-N 0 0 287.215 3.607 50 30 CHEARN CCN=C(Nc1n[nH]c(C)c1-c1ccccc1F)SC ZINC000020440143 171203746 /nfs/dbraw/zinc/20/37/46/171203746.db2.gz SUEKCACBEPYCPF-UHFFFAOYSA-N 0 0 292.383 3.675 50 30 CHEARN Cc1noc2c1[C@H](c1ccccc1C)C1=C(CCCC1=O)N2 ZINC000021660270 171318509 /nfs/dbraw/zinc/31/85/09/171318509.db2.gz YEFFZILGNSYMBK-INIZCTEOSA-N 0 0 294.354 3.856 50 30 CHEARN C=CCCC(=O)Nc1sc(CCC)cc1C(=O)OCC ZINC000022316638 171384464 /nfs/dbraw/zinc/38/44/64/171384464.db2.gz PCVQKZMXFMVUIJ-UHFFFAOYSA-N 0 0 295.404 3.782 50 30 CHEARN C#Cc1cccc(NC(=O)c2sccc2-n2cccc2)c1 ZINC000025540324 171460206 /nfs/dbraw/zinc/46/02/06/171460206.db2.gz VIRZOBKRVWAIKC-UHFFFAOYSA-N 0 0 292.363 3.772 50 30 CHEARN CC(C)Cc1ccc(C(=O)/C=C/c2cnn(C)c2)cc1 ZINC000032888142 171757870 /nfs/dbraw/zinc/75/78/70/171757870.db2.gz RZWLLHRYPNTDGN-RMKNXTFCSA-N 0 0 268.360 3.515 50 30 CHEARN O=C(/C=C\c1ccc(Cl)cc1)c1cccc(O)c1 ZINC000035317681 172122577 /nfs/dbraw/zinc/12/25/77/172122577.db2.gz CJOVLNZNTALCJV-TWGQIWQCSA-N 0 0 258.704 3.942 50 30 CHEARN C=CCNC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000040067773 174186133 /nfs/dbraw/zinc/18/61/33/174186133.db2.gz JWYLUKJEPFMJRF-VIFPVBQESA-N 0 0 287.190 3.882 50 30 CHEARN C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccccc1Cl ZINC000040468676 174277099 /nfs/dbraw/zinc/27/70/99/174277099.db2.gz PKVNZHUNYBTVIQ-LLVKDONJSA-N 0 0 276.767 3.601 50 30 CHEARN CN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1Cl ZINC000040525417 174313448 /nfs/dbraw/zinc/31/34/48/174313448.db2.gz BZCSVACNTRXXLB-UHFFFAOYSA-N 0 0 299.761 3.876 50 30 CHEARN C[C@@H](Nc1ccc(C#N)cn1)c1ccc(OC(F)F)cc1 ZINC000044724845 175237127 /nfs/dbraw/zinc/23/71/27/175237127.db2.gz FHCPUFVPQRVULG-SNVBAGLBSA-N 0 0 289.285 3.728 50 30 CHEARN CCOc1cccc(/C=N/[C@H](C)c2ccccc2)c1O ZINC000044836108 175262764 /nfs/dbraw/zinc/26/27/64/175262764.db2.gz ULPGNARTZYCJML-RNEAKCBISA-N 0 0 269.344 3.971 50 30 CHEARN Cc1[nH]c2ccc(CNc3ccc(C#N)cn3)cc2c1C ZINC000064942580 175698964 /nfs/dbraw/zinc/69/89/64/175698964.db2.gz PSGFFBPVUDPRLZ-UHFFFAOYSA-N 0 0 276.343 3.664 50 30 CHEARN CC(C)Oc1cccc(F)c1-c1cccc(C#N)n1 ZINC000067689065 175783914 /nfs/dbraw/zinc/78/39/14/175783914.db2.gz GEASMVUHZHBJBE-UHFFFAOYSA-N 0 0 256.280 3.547 50 30 CHEARN N#Cc1ccccc1NC(=O)CCc1ccc(Cl)s1 ZINC000071795750 176264601 /nfs/dbraw/zinc/26/46/01/176264601.db2.gz JXAYQAPKKHQRSV-UHFFFAOYSA-N 0 0 290.775 3.844 50 30 CHEARN CCO[C@H](C)c1nc(COc2cccc(C#N)c2)cs1 ZINC000071914892 176298670 /nfs/dbraw/zinc/29/86/70/176298670.db2.gz JYZXTCKZHQHLFK-LLVKDONJSA-N 0 0 288.372 3.691 50 30 CHEARN N#CCSCCCSc1nc2cc(F)c(F)cc2[nH]1 ZINC000075076149 176657523 /nfs/dbraw/zinc/65/75/23/176657523.db2.gz BADRCBDNLNHDPV-UHFFFAOYSA-N 0 0 299.371 3.580 50 30 CHEARN C=CCNc1ccc(C(=O)NC2CCCCC2)cc1C ZINC000075103422 176659344 /nfs/dbraw/zinc/65/93/44/176659344.db2.gz GMXJVHQKUWIZTP-UHFFFAOYSA-N 0 0 272.392 3.655 50 30 CHEARN CSC1(CNc2ccc(Cl)cc2C#N)CCOCC1 ZINC000078412469 177339621 /nfs/dbraw/zinc/33/96/21/177339621.db2.gz ZFMWBFWBNDHSRW-UHFFFAOYSA-N 0 0 296.823 3.536 50 30 CHEARN C=CCC/C(C)=N/NC(=S)Nc1cccc(C)c1 ZINC000004714373 260016003 /nfs/dbraw/zinc/01/60/03/260016003.db2.gz GTUYFTJQKZZMOY-FOWTUZBSSA-N 0 0 261.394 3.624 50 30 CHEARN CC[C@@H](CC(F)(F)F)NC(=O)c1c(C)nsc1NC ZINC000330914263 264076067 /nfs/dbraw/zinc/07/60/67/264076067.db2.gz SMWZHNXVUVQNKF-ZETCQYMHSA-N 0 0 295.330 3.529 50 30 CHEARN Cc1ncsc1NC(=O)c1csc(CC(C)C)n1 ZINC000331025441 264099769 /nfs/dbraw/zinc/09/97/69/264099769.db2.gz WAFBQLYMLMMUQW-UHFFFAOYSA-N 0 0 281.406 3.743 50 30 CHEARN CCCOc1ccc(-c2ccccc2C#N)cc1CO ZINC000534586671 328315513 /nfs/dbraw/zinc/31/55/13/328315513.db2.gz LYIFWNFZLGKKMS-UHFFFAOYSA-N 0 0 267.328 3.506 50 30 CHEARN Cc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1 ZINC000013547974 326840375 /nfs/dbraw/zinc/84/03/75/326840375.db2.gz CUZVVKUWUQUVKK-RVDMUPIBSA-N 0 0 294.379 3.887 50 30 in-vivo CHEARN CCCCCCCc1c(C)nc(N2CCCCC2)[nH]c1=O ZINC000033353694 326856071 /nfs/dbraw/zinc/85/60/71/326856071.db2.gz ZNRXNUUVCYTQPW-UHFFFAOYSA-N 0 0 291.439 3.582 50 30 CHEARN C=C(C)S(=O)(=O)CCC[C@H](C)c1ccc(C)cc1 ZINC000045070919 328754591 /nfs/dbraw/zinc/75/45/91/328754591.db2.gz ULZVBXJTDCYNBA-AWEZNQCLSA-N 0 0 266.406 3.827 50 30 CHEARN C=C(C)S(=O)(=O)CCC[C@@H](C)c1ccc(C)cc1 ZINC000045070921 328754630 /nfs/dbraw/zinc/75/46/30/328754630.db2.gz ULZVBXJTDCYNBA-CQSZACIVSA-N 0 0 266.406 3.827 50 30 CHEARN O=C1c2cccc(Cl)c2O/C1=C\c1ccc(O)cc1 ZINC000299738150 329529379 /nfs/dbraw/zinc/52/93/79/329529379.db2.gz BXSDVASPAYIAMJ-JYRVWZFOSA-N 0 0 272.687 3.662 50 30 CHEARN C[C@H](NC(=O)CC#N)c1ccccc1Oc1ccccc1 ZINC000195567364 336056565 /nfs/dbraw/zinc/05/65/65/336056565.db2.gz CHFUOFHSIHOSLD-ZDUSSCGKSA-N 0 0 280.327 3.570 50 30 CHEARN Cc1ccc(-c2nc(C#N)c(N3CCCCCC3)o2)cc1 ZINC000000552547 518188174 /nfs/dbraw/zinc/18/81/74/518188174.db2.gz ZLCWPLSMYYTJOG-UHFFFAOYSA-N 0 0 281.359 3.902 50 30 CHEARN C#CCCCCC(=O)Nc1cc(C)nn1C(CC)CC ZINC000055060706 518246813 /nfs/dbraw/zinc/24/68/13/518246813.db2.gz DKZJDPFTXDGNJH-UHFFFAOYSA-N 0 0 275.396 3.685 50 30 CHEARN C=C(Cl)CSc1nnc(-c2ccc(F)cc2)o1 ZINC000058017629 518651470 /nfs/dbraw/zinc/65/14/70/518651470.db2.gz ITKGEAXMKREHHP-UHFFFAOYSA-N 0 0 270.716 3.720 50 30 CHEARN C=CCC(F)(F)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000328591042 518686344 /nfs/dbraw/zinc/68/63/44/518686344.db2.gz AEXBECZPZYHOGR-SECBINFHSA-N 0 0 261.312 3.500 50 30 CHEARN C=CCN(Cc1cnn(CC=C)c1C)Cc1ccc(F)cc1 ZINC000055414841 518795041 /nfs/dbraw/zinc/79/50/41/518795041.db2.gz SBDCDLGVXNQSTL-UHFFFAOYSA-N 0 0 299.393 3.705 50 30 CHEARN CCCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003156640 520035028 /nfs/dbraw/zinc/03/50/28/520035028.db2.gz SLYCKKOJZHQCPP-UHFFFAOYSA-N 0 0 278.352 3.685 50 30 CHEARN CCCCCCCn1c2ccccc2nc1NC(C)=O ZINC000050860177 520072271 /nfs/dbraw/zinc/07/22/71/520072271.db2.gz IFGIKEWFSDYSOP-UHFFFAOYSA-N 0 0 273.380 3.965 50 30 CHEARN CCOc1cccc(/C=N/CCc2cccs2)c1O ZINC000006787678 521315469 /nfs/dbraw/zinc/31/54/69/521315469.db2.gz RWFHYVOEDDWHRH-LFIBNONCSA-N 0 0 275.373 3.514 50 30 CHEARN N#Cc1ccc(SCCCn2ccnc2)c(Cl)c1 ZINC000180438352 534798624 /nfs/dbraw/zinc/79/86/24/534798624.db2.gz IXBFCAYBBKRMDT-UHFFFAOYSA-N 0 0 277.780 3.591 50 30 CHEARN Cc1ccc(Cc2ccccn2)cc1NC(=O)[C@@H]1CCOC1 ZINC000330032932 524692392 /nfs/dbraw/zinc/69/23/92/524692392.db2.gz VDCHHSQXSGSSSN-OAHLLOKOSA-N 0 0 296.370 3.605 50 30 CHEARN Cc1ccc(N2C(=O)CC[C@]2(C#N)c2ccccc2)cc1 ZINC000000550205 524919020 /nfs/dbraw/zinc/91/90/20/524919020.db2.gz XFHZHMCQRMNDPT-SFHVURJKSA-N 0 0 276.339 3.541 50 30 CHEARN C[C@@H]1C[C@H](Nc2cc(C#N)ccc2C(F)(F)F)CCO1 ZINC000274761540 525447118 /nfs/dbraw/zinc/44/71/18/525447118.db2.gz RQXLDPQGDLAXLE-MWLCHTKSSA-N 0 0 284.281 3.556 50 30 CHEARN C=CCNC(=O)CNc1ccccc1Oc1cccc(C)c1 ZINC000009314455 526574617 /nfs/dbraw/zinc/57/46/17/526574617.db2.gz ZSVBHYKEYOCDMK-UHFFFAOYSA-N 0 0 296.370 3.501 50 30 CHEARN C=C(C)CS[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000096448036 526691981 /nfs/dbraw/zinc/69/19/81/526691981.db2.gz UUMJCMBJOLCXMS-LBPRGKRZSA-N 0 0 277.389 3.526 50 30 CHEARN C=CCCCCCCCCc1nc(SC)n[nH]1 ZINC000018207851 527113742 /nfs/dbraw/zinc/11/37/42/527113742.db2.gz VYALSRBSCRHEOG-UHFFFAOYSA-N 0 0 253.415 3.986 50 30 CHEARN CC1(C)C[C@]1(C#N)NC(=O)c1ccc(C2CCCC2)cc1 ZINC000330146484 527769925 /nfs/dbraw/zinc/76/99/25/527769925.db2.gz HZIVRBJLUUZDNB-GOSISDBHSA-N 0 0 282.387 3.766 50 30 CHEARN CCCCCCCC(=O)Nc1nc(C)c(C(=O)OC)s1 ZINC000097959878 528121028 /nfs/dbraw/zinc/12/10/28/528121028.db2.gz OMACBPOBSRCLMJ-UHFFFAOYSA-N 0 0 298.408 3.537 50 30 CHEARN Cc1cnc(SCC#Cc2ccc(Cl)cc2)nc1 ZINC000154349771 570387154 /nfs/dbraw/zinc/38/71/54/570387154.db2.gz SGSBHYPXVLKEOY-UHFFFAOYSA-N 0 0 274.776 3.582 50 30 CHEARN Cc1ccc(-c2cc(CNc3ccc(C#N)cn3)on2)cc1 ZINC000052401605 566838197 /nfs/dbraw/zinc/83/81/97/566838197.db2.gz FTJTVMGPPCJSCP-UHFFFAOYSA-N 0 0 290.326 3.529 50 30 CHEARN CN1CCCc2cc(/C=C3\Cc4ccccc4C3=O)ccc21 ZINC000003895076 566842674 /nfs/dbraw/zinc/84/26/74/566842674.db2.gz JSXCMQWNBULMKB-SFQUDFHCSA-N 0 0 289.378 3.891 50 30 CHEARN CCCn1c(-c2ccccc2)cc(SC)c(C#N)c1=O ZINC000001388923 566870190 /nfs/dbraw/zinc/87/01/90/566870190.db2.gz OFNMEOBKIXDRHH-UHFFFAOYSA-N 0 0 284.384 3.519 50 30 CHEARN CCCCN(C(=O)c1cc(C#N)cs1)[C@@H](C)CC ZINC000084076865 566877298 /nfs/dbraw/zinc/87/72/98/566877298.db2.gz BJKMYIIIFQHSLE-NSHDSACASA-N 0 0 264.394 3.661 50 30 CHEARN C#CCn1c2ccccc2nc1-c1ccccc1Cl ZINC000004385618 566888585 /nfs/dbraw/zinc/88/85/85/566888585.db2.gz XVDQKWOWMKUZAC-UHFFFAOYSA-N 0 0 266.731 3.990 50 30 CHEARN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NCCc1ccccc1)C2 ZINC000000347198 566899238 /nfs/dbraw/zinc/89/92/38/566899238.db2.gz ZGPWSXZMGYKAKH-LPHOPBHVSA-N 0 0 283.415 3.728 50 30 CHEARN C=C(Cl)COc1cc2oc(=O)cc(C)c2cc1Cl ZINC000000317292 566899596 /nfs/dbraw/zinc/89/95/96/566899596.db2.gz IOCUPADTVGSEJA-UHFFFAOYSA-N 0 0 285.126 3.886 50 30 CHEARN C(#Cc1ccccc1)c1ccc(-c2cc[nH]n2)s1 ZINC000000169854 566899606 /nfs/dbraw/zinc/89/96/06/566899606.db2.gz QIUICZSMENMERZ-UHFFFAOYSA-N 0 0 250.326 3.538 50 30 CHEARN O=[N+]([O-])c1cc(/C=N/c2ccccc2O)ccc1Cl ZINC000000502662 566909291 /nfs/dbraw/zinc/90/92/91/566909291.db2.gz POXQVVGLROFJDD-OVCLIPMQSA-N 0 0 276.679 3.704 50 30 CHEARN O=C(/C=C/c1ccccc1)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000002156255 566911104 /nfs/dbraw/zinc/91/11/04/566911104.db2.gz JFHFOSZIVUMHSZ-WGDLNXRISA-N 0 0 279.295 3.891 50 30 CHEARN O=[N+]([O-])c1ccc(S/N=C\c2ccccc2)cc1 ZINC000104265190 566919756 /nfs/dbraw/zinc/91/97/56/566919756.db2.gz MCPZKFPUXRBOLJ-UVTDQMKNSA-N 0 0 258.302 3.721 50 30 CHEARN Cc1ccc(C)c(N=Cc2cccc([N+](=O)[O-])c2)c1 ZINC000254845765 566924495 /nfs/dbraw/zinc/92/44/95/566924495.db2.gz ZEUBPYWOKZYFNG-UHFFFAOYSA-N 0 0 254.289 3.962 50 30 CHEARN CC(C)c1nc(N2CCCC2)c(C#N)c2c1CCCC2 ZINC000019925752 566928454 /nfs/dbraw/zinc/92/84/54/566928454.db2.gz HYEYJAPSLHHBLG-UHFFFAOYSA-N 0 0 269.392 3.556 50 30 CHEARN C=CCNC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000024538250 566932134 /nfs/dbraw/zinc/93/21/34/566932134.db2.gz XEOQJJGWACRNHM-CQSZACIVSA-N 0 0 282.387 3.630 50 30 CHEARN N#Cc1cc(NCc2ccccn2)nc2ccc(Cl)cc12 ZINC000075142433 566934634 /nfs/dbraw/zinc/93/46/34/566934634.db2.gz HFEWCPNCZGYENY-UHFFFAOYSA-N 0 0 294.745 3.767 50 30 CHEARN N#Cc1cccc(C(=O)N2CCC(c3ccsc3)CC2)c1 ZINC000075157102 566937472 /nfs/dbraw/zinc/93/74/72/566937472.db2.gz RUJGESXNAOMPJK-UHFFFAOYSA-N 0 0 296.395 3.640 50 30 CHEARN N#Cc1ccc(N[C@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000160641165 566946132 /nfs/dbraw/zinc/94/61/32/566946132.db2.gz VAUJMASMFMVLML-ROUUACIJSA-N 0 0 278.355 3.890 50 30 CHEARN C[C@H](C#N)Sc1n[nH]c(-c2cc(Cl)cc(Cl)c2)n1 ZINC000151093099 566954787 /nfs/dbraw/zinc/95/47/87/566954787.db2.gz GEVXDLWHLRQSLM-ZCFIWIBFSA-N 0 0 299.186 3.783 50 30 CHEARN CC#CC(=O)N1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000330032671 566960955 /nfs/dbraw/zinc/96/09/55/566960955.db2.gz QKHCDFCTYXWUJH-IAQYHMDHSA-N 0 0 295.304 3.638 50 30 CHEARN COc1cccc2c1C(=O)/C(=C\c1ccc(N(C)C)cc1)C2 ZINC000036382850 567002132 /nfs/dbraw/zinc/00/21/32/567002132.db2.gz RJJXDWKVXZSKMX-PTNGSMBKSA-N 0 0 293.366 3.584 50 30 CHEARN CCOc1cccc(CNc2cccc(C#N)c2C)c1 ZINC000239352734 567008771 /nfs/dbraw/zinc/00/87/71/567008771.db2.gz ADGJBYWQLTZWEM-UHFFFAOYSA-N 0 0 266.344 3.878 50 30 CHEARN Cc1nc(C#N)c(NCc2ccc(-c3ccc(F)cc3)o2)o1 ZINC000526052153 567011750 /nfs/dbraw/zinc/01/17/50/567011750.db2.gz AKPUJRXXJWVQDL-UHFFFAOYSA-N 0 0 297.289 3.866 50 30 CHEARN N#CC1(N(C(=O)c2cc(Cl)ccc2F)C2CC2)CCC1 ZINC000170610472 567013830 /nfs/dbraw/zinc/01/38/30/567013830.db2.gz ZQGZXMSQHRIKDY-UHFFFAOYSA-N 0 0 292.741 3.530 50 30 CHEARN N#Cc1cccc(NC(=O)C2(c3ccccc3)CCC2)c1 ZINC000016960919 567030255 /nfs/dbraw/zinc/03/02/55/567030255.db2.gz NSEVGEYMIYXMOC-UHFFFAOYSA-N 0 0 276.339 3.619 50 30 CHEARN CCC[C@H](C#N)NC(=O)c1cccc(-c2csc(C)n2)c1 ZINC000076065728 567030733 /nfs/dbraw/zinc/03/07/33/567030733.db2.gz MCXXHTSFTGCFMR-CQSZACIVSA-N 0 0 299.399 3.541 50 30 CHEARN Cc1[nH]c2ccccc2c1CN=Nc1ccccc1[N+](=O)[O-] ZINC000252462949 567051972 /nfs/dbraw/zinc/05/19/72/567051972.db2.gz XQRQJCBAJUIKDH-UHFFFAOYSA-N 0 0 294.314 3.831 50 30 CHEARN CSc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000252462321 567051990 /nfs/dbraw/zinc/05/19/90/567051990.db2.gz RMFPZJBQZMODMX-UHFFFAOYSA-N 0 0 287.344 3.763 50 30 CHEARN C[C@@H]1CCCC(=NNC(=S)Nc2ccccc2)C1 ZINC000252462342 567052456 /nfs/dbraw/zinc/05/24/56/567052456.db2.gz RQRCEVNKLAYFPF-LLVKDONJSA-N 0 0 261.394 3.539 50 30 CHEARN C[C@H]1CC(=NNC(=S)NC2CCCCC2)CC(C)(C)C1 ZINC000252511183 567061450 /nfs/dbraw/zinc/06/14/50/567061450.db2.gz DSFIEZOJECYLBO-LBPRGKRZSA-N 0 0 295.496 3.985 50 30 CHEARN C(=NN=C1c2ccccc2-c2ccccc21)c1ccccn1 ZINC000252613750 567067947 /nfs/dbraw/zinc/06/79/47/567067947.db2.gz JDSDAPMFXLXKHN-UHFFFAOYSA-N 0 0 283.334 3.934 50 30 CHEARN CCOc1cccc(-c2nc3cc(C#N)ccc3[nH]2)c1 ZINC000055153669 567099141 /nfs/dbraw/zinc/09/91/41/567099141.db2.gz JRKUVBULGHDYEQ-UHFFFAOYSA-N 0 0 263.300 3.500 50 30 CHEARN CC(C)c1ccc(-c2[nH]c(=S)[nH]c(=O)c2C#N)cc1 ZINC000017917151 567100588 /nfs/dbraw/zinc/10/05/88/567100588.db2.gz YHCINZDPOKTYIF-UHFFFAOYSA-N 0 0 271.345 3.507 50 30 CHEARN O=C(/C=C/C1=Cc2ccccc2OC1)c1ccc(O)cc1 ZINC000012893941 567116487 /nfs/dbraw/zinc/11/64/87/567116487.db2.gz HEZFDHUMCIKJFG-BJMVGYQFSA-N 0 0 278.307 3.607 50 30 biogenic CHEARN N#Cc1cccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)c1 ZINC000019311376 567118904 /nfs/dbraw/zinc/11/89/04/567118904.db2.gz RTVYTCJAMIRLKM-UHFFFAOYSA-N 0 0 294.329 3.502 50 30 CHEARN O=C(COC(=O)CCC1CCCC1)NCc1ccccc1 ZINC000328589519 567118961 /nfs/dbraw/zinc/11/89/61/567118961.db2.gz XUEAKPJUXNILLI-UHFFFAOYSA-N 0 0 289.375 3.657 50 30 CHEARN COc1cc(CC(=O)Nc2ccc3[nH]cnc3c2)ccc1C ZINC000328591550 567120069 /nfs/dbraw/zinc/12/00/69/567120069.db2.gz CHGOZZVZDFNTTR-UHFFFAOYSA-N 0 0 295.342 3.711 50 30 CHEARN Cc1cccc(C)c1CCC(=O)c1ccc(C#N)cc1 ZINC000002517584 567120700 /nfs/dbraw/zinc/12/07/00/567120700.db2.gz QYAKRKHAEYTLKP-UHFFFAOYSA-N 0 0 263.340 3.991 50 30 CHEARN N#Cc1c2c(c(-c3ccco3)nc1N1CCCC1)CCCC2 ZINC000019940059 567126618 /nfs/dbraw/zinc/12/66/18/567126618.db2.gz NDAKHEQPLZSQHD-UHFFFAOYSA-N 0 0 293.370 3.692 50 30 CHEARN N#Cc1cccc(NCc2ccc(-c3cccnc3)o2)c1 ZINC000095456996 567133238 /nfs/dbraw/zinc/13/32/38/567133238.db2.gz QFZZPRVHYAXZPG-UHFFFAOYSA-N 0 0 275.311 3.825 50 30 CHEARN CC(C)(C#N)CC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000280111308 567135638 /nfs/dbraw/zinc/13/56/38/567135638.db2.gz XVESQNSPJJQGBN-UKRRQHHQSA-N 0 0 288.366 3.518 50 30 CHEARN N#CCCSc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC000095953542 567136702 /nfs/dbraw/zinc/13/67/02/567136702.db2.gz VTHCECLYTKRFSP-CYBMUJFWSA-N 0 0 286.400 3.987 50 30 CHEARN C[C@H]1CCCN(c2oc(-c3cccc(F)c3)nc2C#N)C1 ZINC000096346376 567140507 /nfs/dbraw/zinc/14/05/07/567140507.db2.gz XPWUWMFFGMQMKZ-NSHDSACASA-N 0 0 285.322 3.589 50 30 CHEARN Cc1ccc(C(=O)/C=C\c2ccc3nccnc3c2)cc1 ZINC000096405124 567143603 /nfs/dbraw/zinc/14/36/03/567143603.db2.gz CZEUWHOPKPDONT-UITAMQMPSA-N 0 0 274.323 3.834 50 30 CHEARN C[C@H](OCCCNc1ccnc(C#N)c1)c1ccccc1 ZINC000225816347 567148134 /nfs/dbraw/zinc/14/81/34/567148134.db2.gz YIKNRSGFDWTOAD-AWEZNQCLSA-N 0 0 281.359 3.533 50 30 CHEARN C=C(C)[C@@H](C)CNC(=O)c1ccc(Cl)cc1Cl ZINC000003185509 567162050 /nfs/dbraw/zinc/16/20/50/567162050.db2.gz AWBQGROITRNJHA-VIFPVBQESA-N 0 0 272.175 3.935 50 30 CHEARN Cc1csc(Sc2cccc(F)c2C#N)n1 ZINC000057797266 567163563 /nfs/dbraw/zinc/16/35/63/567163563.db2.gz WFMUIGCZHHYFCV-UHFFFAOYSA-N 0 0 250.323 3.614 50 30 CHEARN C[C@@H]1Cc2ccccc2N1C1=CC(=O)CC(C)(C)C1 ZINC000003216872 567166309 /nfs/dbraw/zinc/16/63/09/567166309.db2.gz VAAORRNUAZHTSE-GFCCVEGCSA-N 0 0 255.361 3.711 50 30 CHEARN N#Cc1c(F)cccc1Oc1ccc(-c2nnco2)cc1 ZINC000058051616 567167044 /nfs/dbraw/zinc/16/70/44/567167044.db2.gz SYWHQEXKYCMJOK-UHFFFAOYSA-N 0 0 281.246 3.540 50 30 CHEARN Cc1ccc(Nc2nnc(SCC#N)s2)cc1C ZINC000003314604 567167383 /nfs/dbraw/zinc/16/73/83/567167383.db2.gz HIKDSCDQJIHJHD-UHFFFAOYSA-N 0 0 276.390 3.514 50 30 CHEARN Cc1sc2ncnc(Nc3ccc(C#N)cc3)c2c1C ZINC000003285885 567168833 /nfs/dbraw/zinc/16/88/33/567168833.db2.gz JTKPZVYRIQMXQH-UHFFFAOYSA-N 0 0 280.356 3.923 50 30 CHEARN N#Cc1cccnc1SCc1ccc(Cl)cc1 ZINC000030822751 567172880 /nfs/dbraw/zinc/17/28/80/567172880.db2.gz AHPZUCDHDURWDZ-UHFFFAOYSA-N 0 0 260.749 3.899 50 30 CHEARN Cc1ccc(Nc2nnc(S[C@@H](C)C#N)s2)cc1 ZINC000003469880 567175626 /nfs/dbraw/zinc/17/56/26/567175626.db2.gz REFZYTNQSUBOFA-VIFPVBQESA-N 0 0 276.390 3.594 50 30 CHEARN C[C@@H](C#N)Sc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000003505931 567175914 /nfs/dbraw/zinc/17/59/14/567175914.db2.gz GNHDFTTXLMAHRU-NSHDSACASA-N 0 0 296.355 3.531 50 30 CHEARN N#Cc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000003518711 567176236 /nfs/dbraw/zinc/17/62/36/567176236.db2.gz MYKAHIKGYAXUDE-UHFFFAOYSA-N 0 0 290.244 3.829 50 30 CHEARN CSc1cccc(NC(=O)c2cccc(C#N)c2)c1 ZINC000003518799 567176347 /nfs/dbraw/zinc/17/63/47/567176347.db2.gz IULDOVIUEYNZFD-UHFFFAOYSA-N 0 0 268.341 3.532 50 30 CHEARN CCCCC(CC)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003898047 567182820 /nfs/dbraw/zinc/18/28/20/567182820.db2.gz ZYYAHBWEWWDHQZ-UVTDQMKNSA-N 0 0 294.311 3.871 50 30 CHEARN C=CCOc1ccc(CNC(=S)Nc2ccccc2)cc1 ZINC000004123237 567187060 /nfs/dbraw/zinc/18/70/60/567187060.db2.gz LNSLFVRSDONHLW-UHFFFAOYSA-N 0 0 298.411 3.738 50 30 CHEARN CCCSc1nc2ccc(OC)cc2cc1C#N ZINC000004125447 567187716 /nfs/dbraw/zinc/18/77/16/567187716.db2.gz DJMXKXCQLFIEBS-UHFFFAOYSA-N 0 0 258.346 3.617 50 30 CHEARN Cc1ccc2cc(/N=C/c3ccc(O)cc3)ccc2n1 ZINC000004135344 567189618 /nfs/dbraw/zinc/18/96/18/567189618.db2.gz XSVXKLHDYPMDEX-WOJGMQOQSA-N 0 0 262.312 3.999 50 30 CHEARN COc1cccc(/C=N/c2sc3c(c2C#N)CCC3)c1O ZINC000004150735 567190678 /nfs/dbraw/zinc/19/06/78/567190678.db2.gz JDXQTZXDJDGKOK-GIJQJNRQSA-N 0 0 298.367 3.573 50 30 CHEARN C=CCCC(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000066808971 567193642 /nfs/dbraw/zinc/19/36/42/567193642.db2.gz VADIFDGDWJSIKO-UHFFFAOYSA-N 0 0 256.305 3.555 50 30 CHEARN Cn1c(-c2ccccc2)cnc1SC[C@@H](C#N)CCC#N ZINC000066402740 567194368 /nfs/dbraw/zinc/19/43/68/567194368.db2.gz QYRMRQGXLQDJQQ-CYBMUJFWSA-N 0 0 296.399 3.623 50 30 CHEARN CC[C@H](Nc1ncccc1C#N)c1ccc(OC)cc1 ZINC000069573317 567202223 /nfs/dbraw/zinc/20/22/23/567202223.db2.gz ILUKXYYUFZEGEL-HNNXBMFYSA-N 0 0 267.332 3.525 50 30 CHEARN Fc1cccc(NC(=S)NN=C2CCCCCC2)c1 ZINC000000167798 567821017 /nfs/dbraw/zinc/82/10/17/567821017.db2.gz FKPYHMAQNGRMST-UHFFFAOYSA-N 0 0 279.384 3.822 50 30 CHEARN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccccc2O)c1 ZINC000000046297 567817038 /nfs/dbraw/zinc/81/70/38/567817038.db2.gz BBTQEUFQFVMZBQ-OVCLIPMQSA-N 0 0 276.679 3.704 50 30 CHEARN Cc1cc(C)cc(/N=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000000065363 567817316 /nfs/dbraw/zinc/81/73/16/567817316.db2.gz AFNLDUXLVSDGIC-MHWRWJLKSA-N 0 0 254.289 3.962 50 30 CHEARN CCOC(=O)c1ccc(/N=C/c2ccccc2C)cc1 ZINC000000065721 567817364 /nfs/dbraw/zinc/81/73/64/567817364.db2.gz YSFWAIXBCDTMRD-LDADJPATSA-N 0 0 267.328 3.922 50 30 CHEARN Cc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2F)s1 ZINC000000095741 567817967 /nfs/dbraw/zinc/81/79/67/567817967.db2.gz RJCVNEHVZDDAKR-VGOFMYFVSA-N 0 0 264.281 3.854 50 30 CHEARN COc1ccc(Oc2ccc(C(=O)/C=C/N(C)C)cc2)cc1 ZINC000000142995 567819995 /nfs/dbraw/zinc/81/99/95/567819995.db2.gz DUYHLPSUXKZDDL-OUKQBFOZSA-N 0 0 297.354 3.746 50 30 CHEARN O=C1c2ccccc2C(=O)C(Oc2ccccc2)=C1Cl ZINC000000161603 567820642 /nfs/dbraw/zinc/82/06/42/567820642.db2.gz QPTXRNYONDDBEL-UHFFFAOYSA-N 0 0 284.698 3.595 50 30 CHEARN C/C(=N\OC(=O)c1ccc(Cl)cc1)c1cccs1 ZINC000000371131 567827649 /nfs/dbraw/zinc/82/76/49/567827649.db2.gz RQTQTPSWASTKDP-OQLLNIDSSA-N 0 0 279.748 3.983 50 30 CHEARN CC1=C(c2ccccc2)[C@](O)(c2ccccc2)[C@@H](C)C1=O ZINC000000391475 567828695 /nfs/dbraw/zinc/82/86/95/567828695.db2.gz VAAQGIJITBVELH-IFXJQAMLSA-N 0 0 278.351 3.567 50 30 CHEARN O=C(C=CNc1ccc(F)cc1F)c1ccccc1 ZINC000000463135 567831662 /nfs/dbraw/zinc/83/16/62/567831662.db2.gz CQEFXGPJWDWGMF-CMDGGOBGSA-N 0 0 259.255 3.773 50 30 CHEARN CC(C)(C)C(=O)C1=C(C(C)(C)C)OC2(CCCC2)OC1=O ZINC000000715609 567834845 /nfs/dbraw/zinc/83/48/45/567834845.db2.gz KFKGBHGBSHWRQG-UHFFFAOYSA-N 0 0 294.391 3.746 50 30 CHEARN COc1cccc(/C=N/c2ccc(C)c(C)c2)c1O ZINC000002167382 567844954 /nfs/dbraw/zinc/84/49/54/567844954.db2.gz BKAKGXBWNXQDRJ-LICLKQGHSA-N 0 0 255.317 3.768 50 30 CHEARN Cc1ccc(CN=Nc2nc3ccccc3nc2C)cc1 ZINC000004085214 567855045 /nfs/dbraw/zinc/85/50/45/567855045.db2.gz YOXWQIQVLVZAEV-WOJGMQOQSA-N 0 0 276.343 3.693 50 30 CHEARN Oc1ccccc1C=NNc1cccc(C(F)(F)F)c1 ZINC000004323699 567857051 /nfs/dbraw/zinc/85/70/51/567857051.db2.gz NIIXFWLTPFIGCL-GIJQJNRQSA-N 0 0 280.249 3.857 50 30 CHEARN O=[N+]([O-])c1ccc(N=NC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000004410867 567857225 /nfs/dbraw/zinc/85/72/25/567857225.db2.gz XRCNVUBUAKTTPI-UHFFFAOYSA-N 0 0 292.295 3.625 50 30 CHEARN CN(C)/C=N/C(=S)c1ccc(-c2cccs2)s1 ZINC000004390341 567857326 /nfs/dbraw/zinc/85/73/26/567857326.db2.gz JILYSHOTDSSYKS-MDWZMJQESA-N 0 0 280.443 3.742 50 30 CHEARN Clc1cncc(Cl)c1N=NCc1ccccc1 ZINC000004382545 567857454 /nfs/dbraw/zinc/85/74/54/567857454.db2.gz JWIPXTDDDCERBN-OMCISZLKSA-N 0 0 266.131 3.834 50 30 CHEARN CC(C)(C)c1csc(N=NCc2ccc(C#N)cc2)n1 ZINC000004590934 567858496 /nfs/dbraw/zinc/85/84/96/567858496.db2.gz SSOJDDNWCOHHCH-RQZCQDPDSA-N 0 0 284.388 3.758 50 30 CHEARN COc1ccc(C(=O)C=C(C)NCc2ccccc2)cc1 ZINC000004819992 567859216 /nfs/dbraw/zinc/85/92/16/567859216.db2.gz MWEJSTOTEKQTOQ-WYMLVPIESA-N 0 0 281.355 3.572 50 30 CHEARN N#CC1(C(=O)NC2CCC(c3ccccc3)CC2)CCC1 ZINC000071914335 567860263 /nfs/dbraw/zinc/86/02/63/567860263.db2.gz RZWZIBBJFFCJPK-UHFFFAOYSA-N 0 0 282.387 3.523 50 30 CHEARN CC(C)=CCC/C(C)=C/C=N/n1c(C)cc(C)c(C#N)c1=O ZINC000002809945 567860651 /nfs/dbraw/zinc/86/06/51/567860651.db2.gz YJYWOHJALRTAEQ-GYGISDOKSA-N 0 0 297.402 3.863 50 30 CHEARN CCC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000012384036 567863153 /nfs/dbraw/zinc/86/31/53/567863153.db2.gz MIRCMPADDGVULU-SSZFMOIBSA-N 0 0 285.303 3.527 50 30 CHEARN C#CCn1c2ccccc2nc1Cc1ccc(Cl)cc1 ZINC000004385573 567864256 /nfs/dbraw/zinc/86/42/56/567864256.db2.gz MWXNLPFAVKBGCH-UHFFFAOYSA-N 0 0 280.758 3.914 50 30 CHEARN CCCc1noc2c1/C(=N\O)C[C@H](C[C@@H](C)SCC)C2 ZINC000013154761 567865116 /nfs/dbraw/zinc/86/51/16/567865116.db2.gz WVAQCLFHSSAAFE-SFZWNRONSA-N 0 0 296.436 3.900 50 30 CHEARN N#Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004460084 567867940 /nfs/dbraw/zinc/86/79/40/567867940.db2.gz QLEDIFBFLMOLPD-UHFFFAOYSA-N 0 0 280.371 3.713 50 30 CHEARN COC(=O)c1ccc(/C=C2/CCc3ccccc3C2=O)cc1 ZINC000016194146 567872289 /nfs/dbraw/zinc/87/22/89/567872289.db2.gz FHICXGSYUQUFCN-VBKFSLOCSA-N 0 0 292.334 3.686 50 30 CHEARN CC(N=Nc1nc2ccccc2o1)c1ccccc1 ZINC000016737596 567873835 /nfs/dbraw/zinc/87/38/35/567873835.db2.gz XJUBEKUCHDPMEX-GZTJUZNOSA-N 0 0 251.289 3.664 50 30 CHEARN Oc1ccc(Br)cc1/C=N/c1ccccc1 ZINC000017023268 567874460 /nfs/dbraw/zinc/87/44/60/567874460.db2.gz UBWNXKBHOIRKNG-OQLLNIDSSA-N 0 0 276.133 3.905 50 30 CHEARN O=C1OC(c2ccccc2)=CC1=NNc1ccc(Cl)cc1 ZINC000018153883 567876372 /nfs/dbraw/zinc/87/63/72/567876372.db2.gz NWBHFEMPCKGRJH-RGEXLXHISA-N 0 0 298.729 3.706 50 30 CHEARN C=CCc1c(C)[nH]c2c(C)c(-c3ccc(C)cc3)nn2c1=O ZINC000100593691 567881130 /nfs/dbraw/zinc/88/11/30/567881130.db2.gz FOVZZHAZGDYWRI-UHFFFAOYSA-N 0 0 293.370 3.756 50 30 CHEARN CCN(C[C@H](C)C#N)C(=O)Nc1c(C)cc(C)cc1C ZINC000072309797 567887282 /nfs/dbraw/zinc/88/72/82/567887282.db2.gz NOXJHDWSJREYMS-GFCCVEGCSA-N 0 0 273.380 3.625 50 30 CHEARN N#Cc1cc2ccc(N3CCCCC3)cc2cc1C#N ZINC000016667114 567887804 /nfs/dbraw/zinc/88/78/04/567887804.db2.gz RIJPPMLOZGTXPJ-UHFFFAOYSA-N 0 0 261.328 3.573 50 30 CHEARN O=C1c2ccccc2NC1=CNc1ccc(Cl)cc1 ZINC000100401435 567888765 /nfs/dbraw/zinc/88/87/65/567888765.db2.gz XXUUQUIZAQPYEW-ZROIWOOFSA-N 0 0 270.719 3.902 50 30 CHEARN C[C@@H]1C[C@H](C)CN(c2oc(-c3cccs3)nc2C#N)C1 ZINC000013647338 567893438 /nfs/dbraw/zinc/89/34/38/567893438.db2.gz PYGOOUQVAULJMR-PHIMTYICSA-N 0 0 287.388 3.757 50 30 CHEARN O=C1c2ccc(O)cc2CC/C1=C\c1ccccc1 ZINC000058167477 567895590 /nfs/dbraw/zinc/89/55/90/567895590.db2.gz RLOCYFFTXGLYGZ-GXDHUFHOSA-N 0 0 250.297 3.605 50 30 CHEARN C/C(=N\OC(=O)c1ccc(C(F)(F)F)cc1)c1cc[nH]c1 ZINC000059593228 567896745 /nfs/dbraw/zinc/89/67/45/567896745.db2.gz CCWZAFJQHQMMAW-DJKKODMXSA-N 0 0 296.248 3.615 50 30 CHEARN CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000036393661 567902507 /nfs/dbraw/zinc/90/25/07/567902507.db2.gz KTADNCCVQYLKTP-NYYWCZLTSA-N 0 0 283.302 3.680 50 30 CHEARN CCSc1oc(-c2ccc(Cl)cc2)nc1C#N ZINC000072427753 567903691 /nfs/dbraw/zinc/90/36/91/567903691.db2.gz LQHFLOPBUJJJGS-UHFFFAOYSA-N 0 0 264.737 3.979 50 30 CHEARN COc1ccc(/C=N/c2ccc(C)cc2C)cc1O ZINC000000062721 567906652 /nfs/dbraw/zinc/90/66/52/567906652.db2.gz VOHLNKFAYVLQGG-LICLKQGHSA-N 0 0 255.317 3.768 50 30 CHEARN N#Cc1nc(-c2ccccc2)oc1NC1CCCCC1 ZINC000000065824 567906670 /nfs/dbraw/zinc/90/66/70/567906670.db2.gz SXVJSAGGFPDIME-UHFFFAOYSA-N 0 0 267.332 3.958 50 30 CHEARN COc1ccc2ccccc2c1/C=N/N1CCCCC1 ZINC000001606282 567907239 /nfs/dbraw/zinc/90/72/39/567907239.db2.gz XUAIFMDCEIBWRP-QGOAFFKASA-N 0 0 268.360 3.668 50 30 CHEARN CCCCCCCc1ncncc1Br ZINC000100003773 567911908 /nfs/dbraw/zinc/91/19/08/567911908.db2.gz GXNHVVXVVMYFNR-UHFFFAOYSA-N 0 0 257.175 3.752 50 30 CHEARN Clc1nc2sccn2c1/C=N/Cc1ccccc1 ZINC000100334777 567912862 /nfs/dbraw/zinc/91/28/62/567912862.db2.gz YZPNDUQZPUDZGE-OQLLNIDSSA-N 0 0 275.764 3.668 50 30 CHEARN O=[N+]([O-])c1ccccc1/N=C/c1ccccc1Cl ZINC000100539401 567913410 /nfs/dbraw/zinc/91/34/10/567913410.db2.gz AYDNYRLDWZODCS-OQLLNIDSSA-N 0 0 260.680 3.999 50 30 CHEARN CCCCCCCCCC(=O)O[C@@H]1CCC[C@H](O)C1 ZINC000101455788 567914991 /nfs/dbraw/zinc/91/49/91/567914991.db2.gz QHRSZDRHNWFDMH-LSDHHAIUSA-N 0 0 270.413 3.974 50 30 CHEARN Cn1ccnc1S/C=C\C(=O)c1ccc(Cl)cc1 ZINC000033385040 567915133 /nfs/dbraw/zinc/91/51/33/567915133.db2.gz BHHQHFOXDICWSR-TWGQIWQCSA-N 0 0 278.764 3.562 50 30 CHEARN Cc1ccc(NN=C(C#N)C(=O)c2ccccc2Cl)cc1 ZINC000103743949 567915751 /nfs/dbraw/zinc/91/57/51/567915751.db2.gz XYDPCDJBAQETNW-HMMYKYKNSA-N 0 0 297.745 3.823 50 30 CHEARN O=C1c2ccccc2S/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000000126475 567923468 /nfs/dbraw/zinc/92/34/68/567923468.db2.gz YLKDLJHTBANTDU-ZROIWOOFSA-N 0 0 283.308 3.924 50 30 CHEARN C/C(=N/NC(=S)Nc1ccccc1)c1ccc(F)cc1 ZINC000000254861 567925716 /nfs/dbraw/zinc/92/57/16/567925716.db2.gz GZXQUFHSMPWIDJ-WQRHYEAKSA-N 0 0 287.363 3.536 50 30 CHEARN Cc1cc(C)nc(N=NCc2ccc(Cl)cc2Cl)n1 ZINC000004897887 567927338 /nfs/dbraw/zinc/92/73/38/567927338.db2.gz JXHGMNGMIJRECQ-FRKPEAEDSA-N 0 0 295.173 3.846 50 30 CHEARN Cc1nc(SCc2cn3ccccc3c2C#N)oc1C ZINC000073421145 567928947 /nfs/dbraw/zinc/92/89/47/567928947.db2.gz XXFBYOLYFLLYCM-UHFFFAOYSA-N 0 0 283.356 3.708 50 30 CHEARN Cc1ccc(C)c(NC(=O)[C@H](C#N)Cc2cccs2)c1 ZINC000000419681 567930102 /nfs/dbraw/zinc/93/01/02/567930102.db2.gz SDKXLAZOZWSTEG-ZDUSSCGKSA-N 0 0 284.384 3.686 50 30 CHEARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccccc1C ZINC000100944416 567939488 /nfs/dbraw/zinc/93/94/88/567939488.db2.gz WLUTUAQNWIWUNC-PUMYGXPMSA-N 0 0 291.354 3.736 50 30 CHEARN N#CCc1nc(CSc2nc3ccccc3o2)cs1 ZINC000000499785 567940041 /nfs/dbraw/zinc/94/00/41/567940041.db2.gz UFEBPZQWCNTARP-UHFFFAOYSA-N 0 0 287.369 3.643 50 30 CHEARN Cc1cccc(NCc2c(C#N)c3ccccc3n2C)c1 ZINC000000552940 567942964 /nfs/dbraw/zinc/94/29/64/567942964.db2.gz UJXCFPRXPUTWOC-UHFFFAOYSA-N 0 0 275.355 3.971 50 30 CHEARN Cc1ccc(NC=CC(=O)c2ccc3c(c2)OCO3)c(F)c1 ZINC000044842721 567946010 /nfs/dbraw/zinc/94/60/10/567946010.db2.gz HWICNTPSTMGYEP-VOTSOKGWSA-N 0 0 299.301 3.671 50 30 CHEARN CCc1ccc(NC=CC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000044842368 567946033 /nfs/dbraw/zinc/94/60/33/567946033.db2.gz IQFITFFSKFICQB-MDZDMXLPSA-N 0 0 295.338 3.786 50 30 CHEARN CCOc1cccc(/C=N/c2cc(OC)ccc2C)c1O ZINC000044835987 567946101 /nfs/dbraw/zinc/94/61/01/567946101.db2.gz NSCUQYWHFMUOJI-WOJGMQOQSA-N 0 0 285.343 3.859 50 30 CHEARN COc1cccc(/C=C2/Cc3ccccc3C2=O)c1 ZINC000012368244 567948726 /nfs/dbraw/zinc/94/87/26/567948726.db2.gz JBFBIBIFVKXKDA-ZROIWOOFSA-N 0 0 250.297 3.518 50 30 CHEARN Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)c(Cl)c1 ZINC000030828660 567954943 /nfs/dbraw/zinc/95/49/43/567954943.db2.gz SRLWAZMVYJWPME-UHFFFAOYSA-N 0 0 284.746 3.967 50 30 CHEARN N#Cc1cc(-c2noc(C3CCC3)n2)ccc1C1CC1 ZINC000725273553 570264030 /nfs/dbraw/zinc/26/40/30/570264030.db2.gz KQCWNUDYZIFIHS-UHFFFAOYSA-N 0 0 265.316 3.753 50 30 CHEARN CO[C@@H](/C(=N/O)c1ccc(Cl)cc1)c1ccccc1 ZINC000100285450 570266429 /nfs/dbraw/zinc/26/64/29/570266429.db2.gz GWIGKMUIRGDAEF-PWVLXBNSSA-N 0 0 275.735 3.906 50 30 CHEARN C=C(C)[C@@H]1C=C2CC3(CC[C@]2(C)[C@H](C#N)C1)OCCO3 ZINC000033452718 570267007 /nfs/dbraw/zinc/26/70/07/570267007.db2.gz VHVPWZSMFUDSIL-KBMXLJTQSA-N 0 0 273.376 3.582 50 30 CHEARN CCOc1ccccc1C=Nc1ccc(NC(C)=O)cc1 ZINC000252461141 570270323 /nfs/dbraw/zinc/27/03/23/570270323.db2.gz KYOKAZOTISAVJW-UHFFFAOYSA-N 0 0 282.343 3.794 50 30 CHEARN C=CCNc1nc(-c2ccc(F)cc2F)cs1 ZINC000002497509 570277583 /nfs/dbraw/zinc/27/75/83/570277583.db2.gz OYJQHIPTJAURQK-UHFFFAOYSA-N 0 0 252.289 3.686 50 30 CHEARN CCC(=O)Oc1ccc(/C=C2\Oc3ccccc3C2=O)cc1 ZINC000015229464 570325118 /nfs/dbraw/zinc/32/51/18/570325118.db2.gz LVSSRWGTMNYCKZ-WJDWOHSUSA-N 0 0 294.306 3.618 50 30 biogenic CHEARN COc1ccc(-c2ccc(C#N)c(SCCC#N)n2)cc1 ZINC000082086922 570325177 /nfs/dbraw/zinc/32/51/77/570325177.db2.gz VNZKHSNSVGJPQM-UHFFFAOYSA-N 0 0 295.367 3.635 50 30 CHEARN O=C(/C=C\c1ccc(N2CCCC2)cc1)c1ccncc1 ZINC000004531831 570331890 /nfs/dbraw/zinc/33/18/90/570331890.db2.gz IHDFOSJDZSVJHB-YVMONPNESA-N 0 0 278.355 3.578 50 30 CHEARN C=CCO[C@@H](C)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000083888787 570333290 /nfs/dbraw/zinc/33/32/90/570333290.db2.gz WPJOSUZDGZSOFD-HNNXBMFYSA-N 0 0 279.424 3.541 50 30 CHEARN Cc1ccc(C(=O)O[C@H](C)C(C)(C)C#N)cc1Cl ZINC000084182881 570336253 /nfs/dbraw/zinc/33/62/53/570336253.db2.gz DWNZECINYPKSAC-SNVBAGLBSA-N 0 0 265.740 3.744 50 30 CHEARN C=CCOc1cccc(NC(=O)[C@H](C)Oc2ccccc2)c1 ZINC000012137965 570339452 /nfs/dbraw/zinc/33/94/52/570339452.db2.gz MDHJZQLTOYATIK-AWEZNQCLSA-N 0 0 297.354 3.657 50 30 CHEARN C=CCNC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000026518058 570346757 /nfs/dbraw/zinc/34/67/57/570346757.db2.gz NOFSUNDPPCSFEV-MRVPVSSYSA-N 0 0 273.163 3.540 50 30 CHEARN COc1ccccc1[C@H](C)N(C)Cc1ccccc1C#N ZINC000026333224 570348836 /nfs/dbraw/zinc/34/88/36/570348836.db2.gz LBSHYHUOPOYIRB-AWEZNQCLSA-N 0 0 280.371 3.760 50 30 CHEARN O=C1c2ccc(O)cc2O/C1=C\c1ccc(Cl)cc1 ZINC000000149770 570357254 /nfs/dbraw/zinc/35/72/54/570357254.db2.gz BDTDMWIIDULIHT-AUWJEWJLSA-N 0 0 272.687 3.662 50 30 biogenic CHEARN C[C@@H](CC(=O)NC1(C#N)CCCC1)c1c[nH]c2ccccc21 ZINC000170615741 570363243 /nfs/dbraw/zinc/36/32/43/570363243.db2.gz LRAFHMZSWQYPEI-ZDUSSCGKSA-N 0 0 295.386 3.614 50 30 CHEARN C[C@H]1C[C@H](C)CN(c2oc(-c3ccccc3)nc2C#N)C1 ZINC000016742341 570367340 /nfs/dbraw/zinc/36/73/40/570367340.db2.gz REUGFHORPBNCOT-STQMWFEESA-N 0 0 281.359 3.696 50 30 CHEARN C[C@@H]1C[C@H](C)CN(c2oc(-c3ccccc3)nc2C#N)C1 ZINC000016742340 570367486 /nfs/dbraw/zinc/36/74/86/570367486.db2.gz REUGFHORPBNCOT-BETUJISGSA-N 0 0 281.359 3.696 50 30 CHEARN Cc1ccccc1NC(=O)ON=C(Cl)C(C)C ZINC000252430761 570374310 /nfs/dbraw/zinc/37/43/10/570374310.db2.gz IMQRTBJMEAJDOI-UHFFFAOYSA-N 0 0 254.717 3.752 50 30 CHEARN CN(C)c1ccc(/C=C2\CCc3ccccc3C2=O)cc1 ZINC000000191639 570382338 /nfs/dbraw/zinc/38/23/38/570382338.db2.gz OZRILDJFQSECBV-DTQAZKPQSA-N 0 0 277.367 3.965 50 30 CHEARN CC1CCN(c2nccc(-c3ccccc3)c2C#N)CC1 ZINC000020219052 570385025 /nfs/dbraw/zinc/38/50/25/570385025.db2.gz ZLJHBRUDXPSULJ-UHFFFAOYSA-N 0 0 277.371 3.857 50 30 CHEARN N#Cc1sccc1C[S@](=O)c1ccc(Cl)cc1 ZINC000000107582 570386508 /nfs/dbraw/zinc/38/65/08/570386508.db2.gz KXWRNNJWBRENRY-QGZVFWFLSA-N 0 0 281.789 3.581 50 30 CHEARN CSc1nc(C)nc(Sc2ccccc2)c1C#N ZINC000000132115 570386834 /nfs/dbraw/zinc/38/68/34/570386834.db2.gz DRPCEOOCBGZBJQ-UHFFFAOYSA-N 0 0 273.386 3.530 50 30 CHEARN Cc1ccc(Nc2nc(C)cc(C)c2C#N)c(C)c1 ZINC000000198410 570387177 /nfs/dbraw/zinc/38/71/77/570387177.db2.gz NDHRNSWGIJSGDW-UHFFFAOYSA-N 0 0 251.333 3.931 50 30 CHEARN N#Cc1c2c(c(Cl)n3c4ccccc4nc13)CCC2 ZINC000000226306 570387558 /nfs/dbraw/zinc/38/75/58/570387558.db2.gz MXSGGQALLHBBSQ-UHFFFAOYSA-N 0 0 267.719 3.501 50 30 CHEARN CCNc1oc(Cc2cccc3ccccc32)nc1C#N ZINC000000387706 570387801 /nfs/dbraw/zinc/38/78/01/570387801.db2.gz KADCOOUNTDMMIQ-UHFFFAOYSA-N 0 0 277.327 3.722 50 30 CHEARN CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2 ZINC000000377384 570387909 /nfs/dbraw/zinc/38/79/09/570387909.db2.gz SRIZPHIWYOWZAO-UHFFFAOYSA-N 0 0 266.369 3.831 50 30 CHEARN Cc1ccc(-c2nc(CNc3ccc(C#N)cn3)co2)cc1 ZINC000075065389 570391734 /nfs/dbraw/zinc/39/17/34/570391734.db2.gz HASHJBKIODVSRX-UHFFFAOYSA-N 0 0 290.326 3.529 50 30 CHEARN COc1cccc(OC)c1-c1nc2c(cc1C#N)CCCC2 ZINC000426580993 570394463 /nfs/dbraw/zinc/39/44/63/570394463.db2.gz QOOUIJHRUYUXEK-UHFFFAOYSA-N 0 0 294.354 3.516 50 30 CHEARN COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O ZINC000012662421 570395674 /nfs/dbraw/zinc/39/56/74/570395674.db2.gz BWHIHMKJHBQZHT-FJGPGAONSA-N 0 0 278.307 3.868 50 30 biogenic CHEARN C=C(C)[C@@H]1CC[C@H](C)O[C@@H]1c1ccc2c(c1)OCO2 ZINC000012654031 570395596 /nfs/dbraw/zinc/39/55/96/570395596.db2.gz WDZGUUIUJGFBQD-DETPVDSQSA-N 0 0 260.333 3.848 50 30 biogenic CHEARN C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@H](SC)C1 ZINC000079101843 570396354 /nfs/dbraw/zinc/39/63/54/570396354.db2.gz ZTTTXTFTJXUDIA-KGLIPLIRSA-N 0 0 267.438 3.545 50 30 CHEARN N#Cc1ccc([C@H]2CCCC[C@H]2O)cc1C(F)(F)F ZINC000040865778 570402903 /nfs/dbraw/zinc/40/29/03/570402903.db2.gz MENRRRXHFQYXDW-DGCLKSJQSA-N 0 0 269.266 3.596 50 30 in-vivo CHEARN CCCCn1c2ccccc2nc1[C@H](C)OCCC#N ZINC000027792434 570409207 /nfs/dbraw/zinc/40/92/07/570409207.db2.gz MWBCVHXURUDAGX-ZDUSSCGKSA-N 0 0 271.364 3.828 50 30 CHEARN CC(C)(C#N)c1ccc(NC(=O)Cc2ccccc2F)cc1 ZINC000025438314 1125588932 /nfs/dbraw/zinc/58/89/32/1125588932.db2.gz BOXMVKUOVGNVNS-UHFFFAOYSA-N 0 0 296.345 3.808 50 30 CHEARN CC(C)[C@H](C)N(Cc1ccco1)C(=O)c1ccccc1C#N ZINC000065374744 1125676377 /nfs/dbraw/zinc/67/63/77/1125676377.db2.gz XSEUNYQFLYMDLW-AWEZNQCLSA-N 0 0 296.370 3.838 50 30 CHEARN CN1c2ccccc2S/C1=C\C(=O)c1ccco1 ZINC000004497789 1125731252 /nfs/dbraw/zinc/73/12/52/1125731252.db2.gz QFMMCZYCLQDQGW-ZROIWOOFSA-N 0 0 257.314 3.546 50 30 CHEARN CCOc1cccc(C=Nc2cc(C)ccc2OC)c1O ZINC000254678142 1127142931 /nfs/dbraw/zinc/14/29/31/1127142931.db2.gz OKZPBKLDFRCNTA-UHFFFAOYSA-N 0 0 285.343 3.859 50 30 CHEARN Cc1nnc(Oc2ccccc2C#N)c2ccccc12 ZINC000003406906 1127237039 /nfs/dbraw/zinc/23/70/39/1127237039.db2.gz BPTMRWITKFACND-UHFFFAOYSA-N 0 0 261.284 3.602 50 30 CHEARN CCOc1cc(/C=C/C(=O)c2ccc(C)o2)ccc1O ZINC000012553024 1127895456 /nfs/dbraw/zinc/89/54/56/1127895456.db2.gz JSFSAYMQOWKUOX-FNORWQNLSA-N 0 0 272.300 3.588 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(C)cc2OC)cc1O ZINC000012770594 1127923468 /nfs/dbraw/zinc/92/34/68/1127923468.db2.gz YAQMOFWTMYYFTN-VMPITWQZSA-N 0 0 298.338 3.614 50 30 CHEARN COc1cc(C=Nc2ccc(Cl)cc2)ccc1O ZINC000254494230 1128060239 /nfs/dbraw/zinc/06/02/39/1128060239.db2.gz LHBMURJBXCFTMH-UHFFFAOYSA-N 0 0 261.708 3.805 50 30 CHEARN O=C(/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1 ZINC000033472173 1128533590 /nfs/dbraw/zinc/53/35/90/1128533590.db2.gz LSRYUCJIXRVZSJ-XQRVVYSFSA-N 0 0 288.690 3.539 50 30 CHEARN COc1cc(OC)c(N=Cc2ccccc2O)cc1Cl ZINC000254486982 1118131423 /nfs/dbraw/zinc/13/14/23/1118131423.db2.gz VTSXAEWTTOXZHR-UHFFFAOYSA-N 0 0 291.734 3.813 50 30 CHEARN Cc1ccc(-c2cc3cc(C#N)c(C#N)cc3n2O)cc1 ZINC000066089274 1128762050 /nfs/dbraw/zinc/76/20/50/1128762050.db2.gz BRSZLKKHYLVRSD-UHFFFAOYSA-N 0 0 273.295 3.597 50 30 CHEARN N#Cc1cc(-c2cccc(F)c2C(F)(F)F)ccn1 ZINC000117578199 1118471152 /nfs/dbraw/zinc/47/11/52/1118471152.db2.gz CQDAODALTKNUKM-UHFFFAOYSA-N 0 0 266.197 3.778 50 30 CHEARN C=CCn1c2cccc3cccc(c32)n(/C=C/C)c1=O ZINC000002819146 1119036551 /nfs/dbraw/zinc/03/65/51/1119036551.db2.gz NPEYKIQWQKYYPX-UUILKARUSA-N 0 0 264.328 3.633 50 30 CHEARN C#CCC[C@H](CC)OC(=O)C[C@@H](C)c1ccccc1OC ZINC000079111812 1119309888 /nfs/dbraw/zinc/30/98/88/1119309888.db2.gz CESXXTCMKNIMRV-CABCVRRESA-N 0 0 288.387 3.924 50 30 CHEARN Cc1cc(/C=C/C(=O)c2cccs2)cc(C)c1O ZINC000016406473 1119851198 /nfs/dbraw/zinc/85/11/98/1119851198.db2.gz UIRSZQKUUOVMOR-AATRIKPKSA-N 0 0 258.342 3.967 50 30 CHEARN Cc1cc(C)c(C#N)c(SCc2ccc3c(c2)OCO3)n1 ZINC000000619092 1120190345 /nfs/dbraw/zinc/19/03/45/1120190345.db2.gz CMJICGQXLGIZRH-UHFFFAOYSA-N 0 0 298.367 3.591 50 30 CHEARN Cc1ncc(NC(=O)c2csc3c2CC[C@@H](C)C3)cn1 ZINC000328914993 1120245644 /nfs/dbraw/zinc/24/56/44/1120245644.db2.gz JIMNUQIHFZSYPA-SECBINFHSA-N 0 0 287.388 3.608 50 30 CHEARN N#Cc1c(=S)[nH]c2c(c1-c1cccs1)CCCC2 ZINC000004006101 1120289032 /nfs/dbraw/zinc/28/90/32/1120289032.db2.gz LOUSEPGPKODDTK-SNVBAGLBSA-N 0 0 272.398 3.997 50 30 CHEARN N#Cc1ccccc1NCc1coc(-c2ccccc2)n1 ZINC000225493984 1120490960 /nfs/dbraw/zinc/49/09/60/1120490960.db2.gz YTGJJPYUGWIVCC-UHFFFAOYSA-N 0 0 275.311 3.825 50 30 CHEARN CC(C)CC[C@H]1C[C@H]1C(=O)Nc1ccccc1C#N ZINC000012382195 1120641562 /nfs/dbraw/zinc/64/15/62/1120641562.db2.gz SSBUZOOIRWMMGG-GXTWGEPZSA-N 0 0 256.349 3.569 50 30 CHEARN C=CCNC(=O)c1cccc(-c2noc([C@@H](C)C3CC3)n2)c1 ZINC000328593815 1121152115 /nfs/dbraw/zinc/15/21/15/1121152115.db2.gz MXPGNQMRVHESOC-NSHDSACASA-N 0 0 297.358 3.741 50 30 CHEARN Cc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)c(C)c1 ZINC000012447025 1121429421 /nfs/dbraw/zinc/42/94/21/1121429421.db2.gz LTIZGAYJGLHGLG-WJDWOHSUSA-N 0 0 277.323 3.648 50 30 CHEARN Cc1ccc(C(=O)/C=C\c2ccc3c(c2)OCCO3)s1 ZINC000606442798 1121665297 /nfs/dbraw/zinc/66/52/97/1121665297.db2.gz HCOFMERQANGYHI-HYXAFXHYSA-N 0 0 286.352 3.724 50 30 CHEARN C[C@]1(C#N)CCCN(Cc2ccc(Cl)s2)C1 ZINC000612165821 1121686104 /nfs/dbraw/zinc/68/61/04/1121686104.db2.gz OKCCILWARPQGJP-GFCCVEGCSA-N 0 0 254.786 3.527 50 30 CHEARN Cc1cc(Cl)ccc1NCC(=O)Nc1cccc(C#N)c1 ZINC000015290265 1122777742 /nfs/dbraw/zinc/77/77/42/1122777742.db2.gz GDPYXKXWLCBKJA-UHFFFAOYSA-N 0 0 299.761 3.571 50 30 CHEARN CCOc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1 ZINC000034953956 1123639760 /nfs/dbraw/zinc/63/97/60/1123639760.db2.gz BDZFTVOWGRMIDN-XGICHPGQSA-N 0 0 268.312 3.687 50 30 CHEARN C=C(C)C[C@@H](C)C(=O)NCc1cccc(-c2cnco2)c1 ZINC000585127282 1131319938 /nfs/dbraw/zinc/31/99/38/1131319938.db2.gz WBIDJUOQXNDFNH-CYBMUJFWSA-N 0 0 284.359 3.560 50 30 CHEARN CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000000258961 1125421763 /nfs/dbraw/zinc/42/17/63/1125421763.db2.gz PZBUHIAOLWZTLU-SNVBAGLBSA-N 0 0 276.405 3.729 50 30 CHEARN COc1cc(/C=C\C(=O)c2ccc(C)c(C)c2)ccc1O ZINC000097993035 1129636315 /nfs/dbraw/zinc/63/63/15/1129636315.db2.gz FGUIMIOKMFPSAY-YVMONPNESA-N 0 0 282.339 3.914 50 30 CHEARN Cc1n[nH]c(C)c1/C=C\C(=O)c1cccc(C(F)(F)F)c1 ZINC000098007757 1129638085 /nfs/dbraw/zinc/63/80/85/1129638085.db2.gz ZHWCVZOAVADGLC-SREVYHEPSA-N 0 0 294.276 3.941 50 30 CHEARN Cc1cccc(C)c1NC(=S)NN=C1C[C@H]2CC=C[C@@H]12 ZINC000254309132 1129684076 /nfs/dbraw/zinc/68/40/76/1129684076.db2.gz FCGGAAUHJYVYHQ-CHWSQXEVSA-N 0 0 285.416 3.542 50 30 CHEARN CCCCCn1nc(C)c(CN=Nc2ccccn2)c1C ZINC000254496818 1129698715 /nfs/dbraw/zinc/69/87/15/1129698715.db2.gz COCCKYQFMMBPTH-UHFFFAOYSA-N 0 0 285.395 3.531 50 30 CHEARN c1ccc(CCCN=Nc2nc3ccccc3[nH]2)cc1 ZINC000254758883 1129709534 /nfs/dbraw/zinc/70/95/34/1129709534.db2.gz NDQGQIWPGMQPNJ-UHFFFAOYSA-N 0 0 264.332 3.593 50 30 CHEARN Cc1cccc2c1OCC/C(=C/c1cccc(O)c1)C2=O ZINC000012730572 1129831754 /nfs/dbraw/zinc/83/17/54/1129831754.db2.gz XIDGWQCPRUCILS-UVTDQMKNSA-N 0 0 280.323 3.749 50 30 CHEARN N#Cc1cc(F)c(NCC2(CCO)CCCCC2)c(F)c1 ZINC000301583642 1134479784 /nfs/dbraw/zinc/47/97/84/1134479784.db2.gz UIIHDLZVDHKAQQ-UHFFFAOYSA-N 0 0 294.345 3.581 50 30 CHEARN N#Cc1ncc(C(F)(F)F)cc1Oc1ccccc1 ZINC000095829759 185029116 /nfs/dbraw/zinc/02/91/16/185029116.db2.gz LMVZMYGDKFGEHS-UHFFFAOYSA-N 0 0 264.206 3.764 50 30 CHEARN O=C(/C=C\c1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000096766784 185111895 /nfs/dbraw/zinc/11/18/95/185111895.db2.gz WPRFMCPEPZIZIJ-XQRVVYSFSA-N 0 0 286.714 3.965 50 30 CHEARN O=C(/C=C\c1ccccc1Cl)c1ccc2c(c1)OCO2 ZINC000096766817 185112131 /nfs/dbraw/zinc/11/21/31/185112131.db2.gz XBJLMCUDSHIVPE-ALCCZGGFSA-N 0 0 286.714 3.965 50 30 CHEARN COc1cc(C#N)ccc1OC/C=C\c1ccccc1 ZINC000096801517 185114431 /nfs/dbraw/zinc/11/44/31/185114431.db2.gz JWFWWRFNGIDYSQ-YVMONPNESA-N 0 0 265.312 3.659 50 30 CHEARN O=C(/C=C\c1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000096891317 185124799 /nfs/dbraw/zinc/12/47/99/185124799.db2.gz UUVWSMQIWNYWHD-QXMHVHEDSA-N 0 0 274.323 3.768 50 30 CHEARN Cc1ccccc1/C=C1/Cc2c(cccc2O)C1=O ZINC000096931927 185132413 /nfs/dbraw/zinc/13/24/13/185132413.db2.gz BYDHUOKHRIRHPN-LCYFTJDESA-N 0 0 250.297 3.523 50 30 CHEARN N#Cc1cccc(/C=C2/CSc3ccccc3C2=O)c1 ZINC000096939770 185133207 /nfs/dbraw/zinc/13/32/07/185133207.db2.gz DGYRZRPYDLLPEQ-ZROIWOOFSA-N 0 0 277.348 3.930 50 30 CHEARN C=CCNC(=O)N(CC(C)C)[C@H](CC)c1ccccc1 ZINC000084734643 178922761 /nfs/dbraw/zinc/92/27/61/178922761.db2.gz LCPLKUVETJLTAP-MRXNPFEDSA-N 0 0 274.408 3.991 50 30 CHEARN COc1ccc(C=Nc2ccc(C(C)=O)cc2)cc1 ZINC000100114889 185706208 /nfs/dbraw/zinc/70/62/08/185706208.db2.gz NTBVIRZMEMSQEJ-GZTJUZNOSA-N 0 0 253.301 3.648 50 30 CHEARN C=CCNC(CCC)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000103450970 185841543 /nfs/dbraw/zinc/84/15/43/185841543.db2.gz OVXVHUOYONSQRC-UHFFFAOYSA-N 0 0 297.398 3.532 50 30 CHEARN CCCn1c(C)nnc1S[C@H](C#N)C1CCCCC1 ZINC000089707469 179850411 /nfs/dbraw/zinc/85/04/11/179850411.db2.gz ZFZQAWHXGSEVPZ-CYBMUJFWSA-N 0 0 278.425 3.561 50 30 CHEARN N#CCc1ccc(NC(=O)OCc2ccccc2)cc1 ZINC000146808552 187912612 /nfs/dbraw/zinc/91/26/12/187912612.db2.gz OCJOGFVSSNZPRU-UHFFFAOYSA-N 0 0 266.300 3.501 50 30 CHEARN C[C@@H](Nc1ncnc2ccccc21)c1cccc(C#N)c1 ZINC000170644290 188680621 /nfs/dbraw/zinc/68/06/21/188680621.db2.gz STIRXWZMXYXNMW-GFCCVEGCSA-N 0 0 274.327 3.675 50 30 CHEARN COc1cccc(NC(=S)NCc2ccccc2)c1 ZINC000000075491 169527863 /nfs/dbraw/zinc/52/78/63/169527863.db2.gz CBQPHBHZJCQWHA-UHFFFAOYSA-N 0 0 272.373 3.593 50 30 CHEARN C[S@@](=O)c1scc(-c2ccc(Cl)cc2)c1C#N ZINC000000124825 169544694 /nfs/dbraw/zinc/54/46/94/169544694.db2.gz LLZUOZWHFLUGCK-KRWDZBQOSA-N 0 0 281.789 3.678 50 30 CHEARN Cc1cc(N)c(NC2=CC(=O)CC(C)(C)C2)cc1C ZINC000000198863 169571921 /nfs/dbraw/zinc/57/19/21/169571921.db2.gz YMFIYBFATICNAE-UHFFFAOYSA-N 0 0 258.365 3.571 50 30 CHEARN C=C(C)[C@@H]1CCC(C)=C1COC(=O)c1cccnc1 ZINC000000281444 169596015 /nfs/dbraw/zinc/59/60/15/169596015.db2.gz NBVUVHRZJRUMEJ-AWEZNQCLSA-N 0 0 257.333 3.541 50 30 biogenic CHEARN C/C(=N/OC(=O)c1ccccc1Cl)c1cccs1 ZINC000000348321 169613582 /nfs/dbraw/zinc/61/35/82/169613582.db2.gz UUFVGKXMWHTTJZ-DHDCSXOGSA-N 0 0 279.748 3.983 50 30 CHEARN C=C(C)COc1cc2oc(=O)cc(C)c2cc1Cl ZINC000000450308 169643925 /nfs/dbraw/zinc/64/39/25/169643925.db2.gz VJAWPWXFHWBOAA-UHFFFAOYSA-N 0 0 264.708 3.710 50 30 CHEARN N#C[C@H](Nc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000004054487 184530437 /nfs/dbraw/zinc/53/04/37/184530437.db2.gz OXTPMZKCTOCRSV-NSHDSACASA-N 0 0 266.222 3.975 50 30 CHEARN N#Cc1cc(-c2ccccc2)nc(Oc2ccccc2)n1 ZINC000000529378 169663009 /nfs/dbraw/zinc/66/30/09/169663009.db2.gz RRJWPBGPQDJXIS-UHFFFAOYSA-N 0 0 273.295 3.808 50 30 aggregator CHEARN CC(=CCc1ccccc1)N=Nc1nc(C)cc(C)n1 ZINC000000547592 169665992 /nfs/dbraw/zinc/66/59/92/169665992.db2.gz LKNGYKNEBTZMJN-PAADAATBSA-N 0 0 266.348 3.595 50 30 CHEARN Cc1cccc(NC(=S)N/N=C2\CCC[C@H](C)C2)c1 ZINC000000588185 169673337 /nfs/dbraw/zinc/67/33/37/169673337.db2.gz APWFVTZKOXSDMG-KNEMVRMJSA-N 0 0 275.421 3.848 50 30 CHEARN CC1=NN([C@@H](C#N)c2ccc(Cl)cc2)C(C)(C)C1 ZINC000001424761 169704294 /nfs/dbraw/zinc/70/42/94/169704294.db2.gz CNBQIBOSSWXEKL-ZDUSSCGKSA-N 0 0 261.756 3.765 50 30 CHEARN CC(C)C(=O)Nc1sc(=S)c2c(c1C#N)CCCC2 ZINC000001522202 169711465 /nfs/dbraw/zinc/71/14/65/169711465.db2.gz FKJZOUVOIUTDGZ-UHFFFAOYSA-N 0 0 292.429 3.823 50 30 CHEARN COc1c2c(ccc1NC(C)=CC(C)=O)c(C)c(C)n2C ZINC000001423613 533447264 /nfs/dbraw/zinc/44/72/64/533447264.db2.gz YXTMQRFXNAGYBX-MDZDMXLPSA-N 0 0 286.375 3.708 50 30 CHEARN N#Cc1cnc2ccc(Cl)cc2c1N1CCCCC1 ZINC000064438685 134932601 /nfs/dbraw/zinc/93/26/01/134932601.db2.gz UDNJLSZECBCYQX-UHFFFAOYSA-N 0 0 271.751 3.750 50 30 CHEARN O/N=C/Nc1cc(Cl)c(-n2cccc2)cc1Cl ZINC000002163216 169777951 /nfs/dbraw/zinc/77/79/51/169777951.db2.gz LPZAXHCPQIASRA-UHFFFAOYSA-N 0 0 270.119 3.614 50 30 CHEARN Cc1sc2nc(C)nc(S[C@@H](C)C#N)c2c1C ZINC000003353570 169881902 /nfs/dbraw/zinc/88/19/02/169881902.db2.gz KGRYDEZXZQJQFN-LURJTMIESA-N 0 0 263.391 3.621 50 30 CHEARN CCOc1ccc(NC=C2CCC[C@@H](C)C2=O)cc1 ZINC000003639273 169905348 /nfs/dbraw/zinc/90/53/48/169905348.db2.gz KTFLXIKJNXGNBE-NPRUJURCSA-N 0 0 259.349 3.770 50 30 CHEARN Cc1ccc(N=C2C=C(Cl)C(=O)C(Cl)=C2)cc1 ZINC000004263235 169950130 /nfs/dbraw/zinc/95/01/30/169950130.db2.gz KVWNLDWDICWFIA-UHFFFAOYSA-N 0 0 266.127 3.896 50 30 CHEARN CSc1ccccc1C(=O)Nc1sccc1C#N ZINC000004517439 169976598 /nfs/dbraw/zinc/97/65/98/169976598.db2.gz IVXBGYLYPOBJRQ-UHFFFAOYSA-N 0 0 274.370 3.594 50 30 CHEARN CN(C)c1ccc(C(=O)/C=C/c2ccccc2)cc1 ZINC000004706883 170002657 /nfs/dbraw/zinc/00/26/57/170002657.db2.gz SYXGMWCLRWOVJB-MDWZMJQESA-N 0 0 251.329 3.649 50 30 CHEARN O=C1/C(=C/c2ccccc2O)CC/C1=C\c1ccccc1O ZINC000004713048 170003761 /nfs/dbraw/zinc/00/37/61/170003761.db2.gz SWXUQQKBZLHYOF-JOBJLJCHSA-N 0 0 292.334 3.928 50 30 CHEARN CC1=NN([C@H](C#N)c2c[nH]c3ccccc23)C(C)(C)C1 ZINC000004725084 170006204 /nfs/dbraw/zinc/00/62/04/170006204.db2.gz PNVLNPRFNAJQFZ-OAHLLOKOSA-N 0 0 266.348 3.593 50 30 CHEARN C=CCNc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004727925 170007141 /nfs/dbraw/zinc/00/71/41/170007141.db2.gz SJJSMHJWHRKMRT-UHFFFAOYSA-N 0 0 275.421 3.604 50 30 CHEARN CC(=NNc1ccccc1)c1coc2ccc(O)cc12 ZINC000004746128 170010790 /nfs/dbraw/zinc/01/07/90/170010790.db2.gz NUTCQWQNIPYEHR-GZTJUZNOSA-N 0 0 266.300 3.975 50 30 CHEARN COc1ccc(NC=CC(=O)c2ccc(C)cc2)cc1 ZINC000004754554 170011666 /nfs/dbraw/zinc/01/16/66/170011666.db2.gz PISIXTVXKZVTBF-QXMHVHEDSA-N 0 0 267.328 3.812 50 30 CHEARN CSC1=N/C(=C\C(C)=C\c2ccccc2)C(=O)S1 ZINC000004755295 170011821 /nfs/dbraw/zinc/01/18/21/170011821.db2.gz LOKLGBXASGGZCP-RFDRRPSGSA-N 0 0 275.398 3.966 50 30 CHEARN C#CCn1c(/C=C/c2ccccc2)nc2ccccc21 ZINC000004809834 170020394 /nfs/dbraw/zinc/02/03/94/170020394.db2.gz GNDSNBZGSONHHG-OUKQBFOZSA-N 0 0 258.324 3.840 50 30 CHEARN C=CCOc1ccc(C(=O)Nc2ccccc2F)cc1 ZINC000004842912 170028850 /nfs/dbraw/zinc/02/88/50/170028850.db2.gz QKBCNAJDXAUKBH-UHFFFAOYSA-N 0 0 271.291 3.643 50 30 CHEARN C=CCNC(=O)c1cc2sccc2n1Cc1ccccc1 ZINC000004970935 170046712 /nfs/dbraw/zinc/04/67/12/170046712.db2.gz UYXGNZGIRJJZHF-UHFFFAOYSA-N 0 0 296.395 3.667 50 30 CHEARN CN(C)c1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005010748 170055390 /nfs/dbraw/zinc/05/53/90/170055390.db2.gz QIJHFXFAZCYBGP-XGICHPGQSA-N 0 0 296.326 3.557 50 30 CHEARN Cc1nn2c(nc(C)cc2-c2ccc(Cl)cc2)c1C#N ZINC000005050411 170061550 /nfs/dbraw/zinc/06/15/50/170061550.db2.gz MLSPIKYFUWQFJB-UHFFFAOYSA-N 0 0 282.734 3.538 50 30 CHEARN COc1ccc(C(=O)/C=C\c2ccc(C)cc2)cc1 ZINC000005053124 170061940 /nfs/dbraw/zinc/06/19/40/170061940.db2.gz QSTYRJCRRHXXQH-GHXNOFRVSA-N 0 0 252.313 3.900 50 30 CHEARN c1ccc(NN=C(c2ccccc2)c2ccccn2)cc1 ZINC000005103225 170066342 /nfs/dbraw/zinc/06/63/42/170066342.db2.gz YHAQDVBVFQLYTA-UZYVYHOESA-N 0 0 273.339 3.946 50 30 CHEARN N#Cc1cccc(COC(=O)c2cccc(Cl)c2)c1 ZINC000005111900 170067199 /nfs/dbraw/zinc/06/71/99/170067199.db2.gz BOHAUPGMRIMZRT-UHFFFAOYSA-N 0 0 271.703 3.569 50 30 CHEARN O=C(/C=C/c1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000005129127 170069144 /nfs/dbraw/zinc/06/91/44/170069144.db2.gz WPRFMCPEPZIZIJ-GQCTYLIASA-N 0 0 286.714 3.965 50 30 CHEARN Cc1ccsc1CN=NC(=S)Nc1ccccc1 ZINC000005237228 170078346 /nfs/dbraw/zinc/07/83/46/170078346.db2.gz KFSVWNNWIPKEBU-NTEUORMPSA-N 0 0 275.402 3.788 50 30 CHEARN O=C1CCCC(Nc2ccc(Cl)cc2)=C1Cl ZINC000005253426 170080039 /nfs/dbraw/zinc/08/00/39/170080039.db2.gz VKZVSZANPILWCX-UHFFFAOYSA-N 0 0 256.132 3.955 50 30 CHEARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C#N)cc1C ZINC000005292565 170083817 /nfs/dbraw/zinc/08/38/17/170083817.db2.gz SJJMKNWDZZOTBG-AWEZNQCLSA-N 0 0 294.354 3.581 50 30 CHEARN CCc1ccc(O[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000005295126 170084248 /nfs/dbraw/zinc/08/42/48/170084248.db2.gz OCHBLXZLXGWASU-CYBMUJFWSA-N 0 0 294.354 3.527 50 30 CHEARN N#Cc1cccc(C(=O)N[C@H]2CCSc3ccccc32)c1 ZINC000005425878 170098094 /nfs/dbraw/zinc/09/80/94/170098094.db2.gz WWFHRTHVWZEWFS-HNNXBMFYSA-N 0 0 294.379 3.525 50 30 CHEARN COc1ccc(OC)c(/C=C/C(=O)c2cc(C)ccc2O)c1 ZINC000005549219 170112236 /nfs/dbraw/zinc/11/22/36/170112236.db2.gz QILNEUAGOJMVCC-VMPITWQZSA-N 0 0 298.338 3.614 50 30 CHEARN CC[C@@H](C)Nc1nc(SC)nc(-c2ccccc2)c1C#N ZINC000005607386 170119501 /nfs/dbraw/zinc/11/95/01/170119501.db2.gz JEEDFXUNASIJPM-LLVKDONJSA-N 0 0 298.415 3.948 50 30 CHEARN N#Cc1ccc(NC(=O)CCc2ccccc2)cc1Cl ZINC000005736484 170135437 /nfs/dbraw/zinc/13/54/37/170135437.db2.gz ODLOZMNFGJEFLK-UHFFFAOYSA-N 0 0 284.746 3.783 50 30 CHEARN N#Cc1ccc(OCC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000005868208 170148478 /nfs/dbraw/zinc/14/84/78/170148478.db2.gz WQEQTRJUSAJBGU-UHFFFAOYSA-N 0 0 291.350 3.699 50 30 CHEARN C=CCN(CC=C)C(=O)c1cccc2ccccc21 ZINC000005898885 170152201 /nfs/dbraw/zinc/15/22/01/170152201.db2.gz JYGXJXTZSHDCRU-UHFFFAOYSA-N 0 0 251.329 3.654 50 30 CHEARN CCOc1ccc2c(c1)O/C(=C\c1cccc(OC)c1)C2=O ZINC000005900668 170152538 /nfs/dbraw/zinc/15/25/38/170152538.db2.gz CMKMUROCPGKZTI-YVLHZVERSA-N 0 0 296.322 3.710 50 30 biogenic CHEARN N#C[C@]1(c2nc3ccccc3[nH]2)C[C@H]1c1cccs1 ZINC000006188409 170181688 /nfs/dbraw/zinc/18/16/88/170181688.db2.gz AHDAPILDWDOCPV-ZUZCIYMTSA-N 0 0 265.341 3.573 50 30 CHEARN Cc1cccc(NN=C2c3cc(Cl)cc(C)c3NC2=O)c1 ZINC000006450557 170202015 /nfs/dbraw/zinc/20/20/15/170202015.db2.gz GBQFZFUFQDDSLD-UHFFFAOYSA-N 0 0 299.761 3.725 50 30 CHEARN CC1(C)CC(=O)C=C(Nc2cc(-c3ccccc3)n[nH]2)C1 ZINC000006493461 170206707 /nfs/dbraw/zinc/20/67/07/170206707.db2.gz FOGKFGRFRRZBLH-UHFFFAOYSA-N 0 0 281.359 3.762 50 30 CHEARN Cc1c(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cnn1C ZINC000006527484 170210285 /nfs/dbraw/zinc/21/02/85/170210285.db2.gz PRXBAPUGJXTDBN-ONEGZZNKSA-N 0 0 284.403 3.527 50 30 CHEARN O=[N+]([O-])c1cccc(N=NC2C3CC4CC(C3)CC2C4)c1 ZINC000006566144 170213591 /nfs/dbraw/zinc/21/35/91/170213591.db2.gz YTYKULLXRBZKCX-UHFFFAOYSA-N 0 0 285.347 3.819 50 30 CHEARN C=CCSc1nnc(NC(=O)[C@H](CC)CCCC)s1 ZINC000006833871 170247940 /nfs/dbraw/zinc/24/79/40/170247940.db2.gz KFYTYCUQDUCMGY-SNVBAGLBSA-N 0 0 299.465 3.971 50 30 CHEARN O=C(/C=C/c1cccnc1)c1cccc(Br)c1 ZINC000007586860 170292081 /nfs/dbraw/zinc/29/20/81/170292081.db2.gz NTMMNDZZHPICBG-VOTSOKGWSA-N 0 0 288.144 3.740 50 30 CHEARN N#Cc1ccc(/C=C/C(=O)c2cc(F)ccc2F)cc1 ZINC000007717580 170299008 /nfs/dbraw/zinc/29/90/08/170299008.db2.gz GHJZZRYNHIDCLG-VMPITWQZSA-N 0 0 269.250 3.733 50 30 CHEARN Cc1c(Cl)cccc1NCC(=O)Nc1cccc(C#N)c1 ZINC000007972239 170310690 /nfs/dbraw/zinc/31/06/90/170310690.db2.gz NKWJPIQNYXKZPB-UHFFFAOYSA-N 0 0 299.761 3.571 50 30 CHEARN Cc1cc(-c2csc(CC#N)n2)c(C)n1C1CC1 ZINC000008039469 170315491 /nfs/dbraw/zinc/31/54/91/170315491.db2.gz IRMLOSDUZCKEET-UHFFFAOYSA-N 0 0 257.362 3.629 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(C)s2)cc1O ZINC000008080328 170318341 /nfs/dbraw/zinc/31/83/41/170318341.db2.gz GYMMGCXDJQLKAB-GQCTYLIASA-N 0 0 274.341 3.667 50 30 CHEARN CCOc1cc(C#N)ccc1Oc1ncnc2ccsc21 ZINC000008761838 170354680 /nfs/dbraw/zinc/35/46/80/170354680.db2.gz JULDBRAFIAQDFX-UHFFFAOYSA-N 0 0 297.339 3.754 50 30 CHEARN Cc1ccc2c(c1)/C(=N\c1cccc(C)c1C)C(=O)N2 ZINC000009425995 170376390 /nfs/dbraw/zinc/37/63/90/170376390.db2.gz GMXSAEJPNBBANE-UHFFFAOYSA-N 0 0 264.328 3.685 50 30 CHEARN Cc1ccsc1CN(C)C(=O)/C=C/c1ccccc1C#N ZINC000009457519 170377101 /nfs/dbraw/zinc/37/71/01/170377101.db2.gz FGJRIELZBZQFSL-BQYQJAHWSA-N 0 0 296.395 3.600 50 30 CHEARN CN(CCC#N)C(=O)Cc1coc2ccc3ccccc3c12 ZINC000009498966 170379139 /nfs/dbraw/zinc/37/91/39/170379139.db2.gz VQRIAPJRMKALFX-UHFFFAOYSA-N 0 0 292.338 3.501 50 30 CHEARN COc1ccc(/C=C2\CSc3ccccc3C2=O)cc1O ZINC000009579144 170381533 /nfs/dbraw/zinc/38/15/33/170381533.db2.gz BNBFHDMHECKFCE-XYOKQWHBSA-N 0 0 298.363 3.773 50 30 CHEARN C=CCNC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000010035530 170396165 /nfs/dbraw/zinc/39/61/65/170396165.db2.gz MSDCJKDSIFLZBC-ZDUSSCGKSA-N 0 0 266.772 3.522 50 30 CHEARN N#Cc1ccccc1OCc1cccc2cccnc21 ZINC000011233345 170416610 /nfs/dbraw/zinc/41/66/10/170416610.db2.gz UEIBMLZFSPVBLF-UHFFFAOYSA-N 0 0 260.296 3.685 50 30 CHEARN CC1=NN([C@H](C#N)c2ccoc2)[C@@H](c2ccccc2)C1 ZINC000012362832 170479813 /nfs/dbraw/zinc/47/98/13/170479813.db2.gz UCVAGGFEGLDZNG-HZPDHXFCSA-N 0 0 265.316 3.667 50 30 CHEARN C#Cc1cccc(NC(=O)c2cc(CC)c(C)s2)c1 ZINC000012786581 170510637 /nfs/dbraw/zinc/51/06/37/170510637.db2.gz OXIHOVNMSLZSJU-UHFFFAOYSA-N 0 0 269.369 3.853 50 30 CHEARN COc1ccc2ccccc2c1CNc1ccc(C#N)cn1 ZINC000012923667 170520617 /nfs/dbraw/zinc/52/06/17/170520617.db2.gz UESSZZGDJINDHM-UHFFFAOYSA-N 0 0 289.338 3.727 50 30 CHEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\N ZINC000013132492 170534919 /nfs/dbraw/zinc/53/49/19/170534919.db2.gz GWWXKVVUGDVQGO-HMLLZFDZSA-N 0 0 284.403 3.563 50 30 biogenic CHEARN Cc1noc2c1[C@H](c1ccsc1)C1=C(CCCC1=O)N2 ZINC000020739100 171271245 /nfs/dbraw/zinc/27/12/45/171271245.db2.gz KKAIWHJNOOFUFC-ZDUSSCGKSA-N 0 0 286.356 3.609 50 30 CHEARN COc1cccc(/C=C\C(=O)c2cccs2)c1OC ZINC000033391928 171789016 /nfs/dbraw/zinc/78/90/16/171789016.db2.gz IEAIVTMCGXHWPX-HJWRWDBZSA-N 0 0 274.341 3.661 50 30 CHEARN C[C@H](Nc1c(C#N)cnc2ccccc21)c1ccncc1 ZINC000037507655 173242257 /nfs/dbraw/zinc/24/22/57/173242257.db2.gz SIFSGNRQEVZOBS-LBPRGKRZSA-N 0 0 274.327 3.675 50 30 CHEARN CCN(C(=O)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000040071054 174186265 /nfs/dbraw/zinc/18/62/65/174186265.db2.gz BMDHZISFSQQOFJ-UHFFFAOYSA-N 0 0 286.281 3.503 50 30 CHEARN Cc1cc2cc(NC(=O)c3cccc(C#N)c3)ccc2[nH]1 ZINC000040072696 174186944 /nfs/dbraw/zinc/18/69/44/174186944.db2.gz HVKNTFCDPKMGDO-UHFFFAOYSA-N 0 0 275.311 3.600 50 30 CHEARN O=C(/C=C/c1cccc2c1OCO2)c1ccc(F)c(F)c1 ZINC000040139757 174194240 /nfs/dbraw/zinc/19/42/40/174194240.db2.gz RUHDBQNXRHHBBW-FNORWQNLSA-N 0 0 288.249 3.590 50 30 CHEARN Cc1sc(NC(=O)C2(c3ccccc3)CC2)c(C#N)c1C ZINC000040160068 174195294 /nfs/dbraw/zinc/19/52/94/174195294.db2.gz WDQIEIHFCKEBBE-UHFFFAOYSA-N 0 0 296.395 3.907 50 30 CHEARN Cc1nc2ccccc2nc1N[C@@H](C)c1ccc(C#N)cc1 ZINC000042099774 174637054 /nfs/dbraw/zinc/63/70/54/174637054.db2.gz FLSALDYICFVAKU-LBPRGKRZSA-N 0 0 288.354 3.983 50 30 CHEARN C=CCOc1cc(C)c2c(C)nn(-c3cccc(F)c3)c2n1 ZINC000045995128 175389937 /nfs/dbraw/zinc/38/99/37/175389937.db2.gz IJDKMWKCOXMCBM-UHFFFAOYSA-N 0 0 297.333 3.741 50 30 CHEARN CC(C)[C@@](O)(C#Cc1ccccc1)c1ccccc1 ZINC000067319248 175772535 /nfs/dbraw/zinc/77/25/35/175772535.db2.gz GJXAWAHGOKKENH-SFHVURJKSA-N 0 0 250.341 3.582 50 30 CHEARN N#Cc1ccc(NC[C@H]2CCCO[C@H]2c2ccccc2)nc1 ZINC000071828014 176272389 /nfs/dbraw/zinc/27/23/89/176272389.db2.gz XECSOFQCJQRPQW-AEFFLSMTSA-N 0 0 293.370 3.533 50 30 CHEARN COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C#N ZINC000071867275 176281731 /nfs/dbraw/zinc/28/17/31/176281731.db2.gz UEQPQBOSRAOLAK-UHFFFAOYSA-N 0 0 269.144 3.604 50 30 CHEARN N#Cc1ccccc1Cn1ccc(-c2ccc(F)cc2)n1 ZINC000072079560 176313141 /nfs/dbraw/zinc/31/31/41/176313141.db2.gz RWGQYLCSKQODAA-UHFFFAOYSA-N 0 0 277.302 3.609 50 30 CHEARN C=CCOc1ccc(NC(=O)CC2CCCC2)cc1 ZINC000072119092 176319668 /nfs/dbraw/zinc/31/96/68/176319668.db2.gz QEQQNUSPTZRAFZ-UHFFFAOYSA-N 0 0 259.349 3.770 50 30 CHEARN C=CCOc1cc(C(=O)N2CCC[C@@H](C)C2)cc2occc21 ZINC000072240259 176348125 /nfs/dbraw/zinc/34/81/25/176348125.db2.gz VZHAAWCGQLMKJU-CYBMUJFWSA-N 0 0 299.370 3.870 50 30 CHEARN C[C@H](Nc1ncnc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000077304226 177250425 /nfs/dbraw/zinc/25/04/25/177250425.db2.gz NNNROLNYDMMVCQ-NSHDSACASA-N 0 0 292.317 3.814 50 30 CHEARN Clc1ccc(OCC#CCSc2ccccn2)cc1 ZINC000013282907 227166594 /nfs/dbraw/zinc/16/65/94/227166594.db2.gz OOPDRDXHKFSDEB-UHFFFAOYSA-N 0 0 289.787 3.910 50 30 CHEARN CSC(=CC(=O)c1cccs1)NCc1ccco1 ZINC000004344978 260014880 /nfs/dbraw/zinc/01/48/80/260014880.db2.gz QCPZDKJUMMHINL-JYRVWZFOSA-N 0 0 279.386 3.518 50 30 CHEARN CC(C)COc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 ZINC000002621070 260979138 /nfs/dbraw/zinc/97/91/38/260979138.db2.gz APVDPGLVPUAHIM-UHFFFAOYSA-N 0 0 294.354 3.845 50 30 CHEARN N#Cc1nc(-c2ccccc2)oc1Sc1ccc(N)cc1 ZINC000526052338 261082089 /nfs/dbraw/zinc/08/20/89/261082089.db2.gz AUFJAALNDBPDKD-UHFFFAOYSA-N 0 0 293.351 3.947 50 30 CHEARN O=C1C[C@H](Nc2cccc(F)c2)c2ccccc2C1=O ZINC000072422428 264268332 /nfs/dbraw/zinc/26/83/32/264268332.db2.gz KMUPWSSROGALOG-AWEZNQCLSA-N 0 0 269.275 3.617 50 30 CHEARN N#Cc1cccc(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000002621156 326798209 /nfs/dbraw/zinc/79/82/09/326798209.db2.gz QSGRGLQMUSPQIA-UHFFFAOYSA-N 0 0 288.709 3.532 50 30 CHEARN O=c1oc2ccccc2c(Cl)c1C=NNc1ccccc1 ZINC000004368820 326811522 /nfs/dbraw/zinc/81/15/22/326811522.db2.gz PBPYMPHFZHQRDP-VCHYOVAHSA-N 0 0 298.729 3.892 50 30 CHEARN Cc1c(-c2ccc(F)cc2)nc(N)c(C#N)c1-c1ccco1 ZINC000020327020 326862204 /nfs/dbraw/zinc/86/22/04/326862204.db2.gz FREFVUBIPNVQHE-UHFFFAOYSA-N 0 0 293.301 3.910 50 30 CHEARN N#Cc1cccc(C(=O)Nc2nc(-c3ccco3)cs2)c1 ZINC000040111438 326926931 /nfs/dbraw/zinc/92/69/31/326926931.db2.gz JOGIUWBONHIKSA-UHFFFAOYSA-N 0 0 295.323 3.527 50 30 CHEARN C=CC[C@@H]1[C@H]2CC3(OCCO3)C(COC=C)=C2CC1(C)C ZINC000071786071 328755016 /nfs/dbraw/zinc/75/50/16/328755016.db2.gz KYQBVYMYPUCYPH-LSDHHAIUSA-N 0 0 290.403 3.828 50 30 CHEARN Cc1ccc(N=Cc2cccc([N+](=O)[O-])c2)cc1C ZINC000254350671 328757662 /nfs/dbraw/zinc/75/76/62/328757662.db2.gz OVZHWEPPOJVUGK-UHFFFAOYSA-N 0 0 254.289 3.962 50 30 CHEARN CC(C)C(=O)[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000037347071 330380156 /nfs/dbraw/zinc/38/01/56/330380156.db2.gz NZQYNMBVIQXSAZ-LLVKDONJSA-N 0 0 255.239 3.538 50 30 CHEARN C#CCOc1ccc(OC)cc1-c1nc2cc(C)ccc2[nH]1 ZINC000055281636 518325215 /nfs/dbraw/zinc/32/52/15/518325215.db2.gz FDDWSGSGISTWPL-UHFFFAOYSA-N 0 0 292.338 3.559 50 30 CHEARN C=CCC(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 ZINC000055360975 518685488 /nfs/dbraw/zinc/68/54/88/518685488.db2.gz RJEVOWWSXNOXKI-UHFFFAOYSA-N 0 0 294.354 3.762 50 30 CHEARN C=CCCC(=O)N1CCC[C@@H](CCc2cccc(F)c2)C1 ZINC000012595318 518691918 /nfs/dbraw/zinc/69/19/18/518691918.db2.gz XIDIBDPTTXWWPH-INIZCTEOSA-N 0 0 289.394 3.963 50 30 CHEARN C=CCNc1ccccc1C(=O)N(C)C1CCCCC1 ZINC000055393147 518961498 /nfs/dbraw/zinc/96/14/98/518961498.db2.gz ZCJJPGVDHQJOSS-UHFFFAOYSA-N 0 0 272.392 3.689 50 30 CHEARN CCCCCCCCNC(=O)c1ccc2snnc2c1 ZINC000008395861 520035195 /nfs/dbraw/zinc/03/51/95/520035195.db2.gz LUNOGXWCKGGWDR-UHFFFAOYSA-N 0 0 291.420 3.782 50 30 CHEARN N#CC(C#N)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000079917 534542694 /nfs/dbraw/zinc/54/26/94/534542694.db2.gz UJNRFMIPHRZNRJ-KRWDZBQOSA-N 0 0 274.323 3.707 50 30 CHEARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000008496221 523057582 /nfs/dbraw/zinc/05/75/82/523057582.db2.gz VRJGLVYISFYTQR-QGZVFWFLSA-N 0 0 294.354 3.549 50 30 CHEARN C=CCOc1ccccc1NC(=O)COc1cccc(C)c1 ZINC000009815104 526952545 /nfs/dbraw/zinc/95/25/45/526952545.db2.gz WXNCQBYMUNENIO-UHFFFAOYSA-N 0 0 297.354 3.577 50 30 CHEARN CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(C2CCCC2)cc1 ZINC000330146486 527724448 /nfs/dbraw/zinc/72/44/48/527724448.db2.gz HZIVRBJLUUZDNB-SFHVURJKSA-N 0 0 282.387 3.766 50 30 CHEARN CCCCCCCCC1N=NC(=S)N1C[C@H]1CCCO1 ZINC000097941790 528132769 /nfs/dbraw/zinc/13/27/69/528132769.db2.gz MUJIPOGJHANJCN-CYBMUJFWSA-N 0 0 297.468 3.649 50 30 CHEARN CCC(=CC(=O)c1ccncc1)Nc1ccc(OC)cc1 ZINC000102440015 528749367 /nfs/dbraw/zinc/74/93/67/528749367.db2.gz JYSKIYFYSMLMMV-OWBHPGMISA-N 0 0 282.343 3.679 50 30 CHEARN CCCCCCCCCCC[C@H]1CC(=O)NC(=O)[C@@H]1C#N ZINC000100721573 567913645 /nfs/dbraw/zinc/91/36/45/567913645.db2.gz GOWVTRFLZJNOFW-LSDHHAIUSA-N 0 0 292.423 3.710 50 30 CHEARN CSc1ccccc1C(=O)Nc1ccc(OCC#N)cc1 ZINC000018828109 566829470 /nfs/dbraw/zinc/82/94/70/566829470.db2.gz KVESXCGHUKCCAW-UHFFFAOYSA-N 0 0 298.367 3.563 50 30 CHEARN Cn1cccc1/C=C1\CCC/C(=C\c2cccn2C)C1=O ZINC000031597358 566843389 /nfs/dbraw/zinc/84/33/89/566843389.db2.gz VTZLPXIVTAFLQG-QUMQEAAQSA-N 0 0 280.371 3.584 50 30 CHEARN C=CCNc1nc(-c2c(C)nc3cc(C)ccn32)cs1 ZINC000004679438 566851644 /nfs/dbraw/zinc/85/16/44/566851644.db2.gz CYOLVAZEKGUWIG-UHFFFAOYSA-N 0 0 284.388 3.673 50 30 CHEARN Cc1ccc(/C=N/NC(=S)Nc2ccc(C)cc2C)o1 ZINC000003577188 566851935 /nfs/dbraw/zinc/85/19/35/566851935.db2.gz JANUJSYRWFEWSA-CXUHLZMHSA-N 0 0 287.388 3.525 50 30 CHEARN Cc1cccc2cc(/C=N/C3CCCCC3)c(=O)[nH]c12 ZINC000001268194 566859991 /nfs/dbraw/zinc/85/99/91/566859991.db2.gz ICKRBAYDHZYXES-WOJGMQOQSA-N 0 0 268.360 3.588 50 30 CHEARN CN(C)/C=C/C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000001390111 566869509 /nfs/dbraw/zinc/86/95/09/566869509.db2.gz CHSAIHKZSQTNMB-BQYQJAHWSA-N 0 0 292.791 3.722 50 30 CHEARN CCCC(=O)Nc1oc(-c2ccccc2)cc1C#N ZINC000001389883 566869921 /nfs/dbraw/zinc/86/99/21/566869921.db2.gz YISTWXXYQSSSHM-UHFFFAOYSA-N 0 0 254.289 3.557 50 30 CHEARN C=CCN(CC=C)C(=O)c1nc(-c2cccs2)oc1C ZINC000046571694 566880152 /nfs/dbraw/zinc/88/01/52/566880152.db2.gz ITJPLNRNEGYWGY-UHFFFAOYSA-N 0 0 288.372 3.526 50 30 CHEARN Cc1ccc2cccc(OCc3ccccc3C#N)c2n1 ZINC000015554924 566882086 /nfs/dbraw/zinc/88/20/86/566882086.db2.gz NZHXGQAYIXNGSB-UHFFFAOYSA-N 0 0 274.323 3.994 50 30 CHEARN O=C(Nc1cccc(C#Cc2ccccc2)c1)c1cccnc1 ZINC000012778406 566885018 /nfs/dbraw/zinc/88/50/18/566885018.db2.gz YJKLVUBVKZSGOR-UHFFFAOYSA-N 0 0 298.345 3.734 50 30 CHEARN C=C(C)Cn1c(=O)c2c([n-]c1=S)sc1c2CCCC1 ZINC000000536238 566899314 /nfs/dbraw/zinc/89/93/14/566899314.db2.gz KFVNTQPYJUJGSZ-UHFFFAOYSA-N 0 0 292.429 3.575 50 30 CHEARN C=C(Cl)COc1cc(C)cc2oc(=O)c(C)c(C)c12 ZINC000001165180 566899783 /nfs/dbraw/zinc/89/97/83/566899783.db2.gz GFNOFKJXDNGVPP-UHFFFAOYSA-N 0 0 278.735 3.850 50 30 CHEARN C=C(Br)CSc1nc2ccccc2[nH]1 ZINC000000281481 566900562 /nfs/dbraw/zinc/90/05/62/566900562.db2.gz ROKSCQXJOKXPDZ-UHFFFAOYSA-N 0 0 269.167 3.564 50 30 CHEARN N#Cc1cccc(CNc2cccc(-c3ncco3)c2)c1 ZINC000160325872 566903539 /nfs/dbraw/zinc/90/35/39/566903539.db2.gz BQUCGKMHBHHOSP-UHFFFAOYSA-N 0 0 275.311 3.825 50 30 CHEARN N#Cc1ccccc1NC(=O)c1cncc(-c2ccccc2)c1 ZINC000074672204 566932464 /nfs/dbraw/zinc/93/24/64/566932464.db2.gz LYDZZCRYXKDDQI-UHFFFAOYSA-N 0 0 299.333 3.873 50 30 CHEARN C=CCCC(=O)N1CCCC[C@H](c2ccccc2)C1 ZINC000217287211 566958952 /nfs/dbraw/zinc/95/89/52/566958952.db2.gz WQGPENXIUFWWPS-INIZCTEOSA-N 0 0 257.377 3.749 50 30 CHEARN CCCCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000001769320 566962821 /nfs/dbraw/zinc/96/28/21/566962821.db2.gz RPRZYWATZOLYHC-UHFFFAOYSA-N 0 0 262.378 3.627 50 30 CHEARN O=[N+]([O-])c1ccccc1/C=N/c1ccc(Cl)cc1 ZINC000000297130 566963762 /nfs/dbraw/zinc/96/37/62/566963762.db2.gz SJLMYVAOOXRLEM-OQLLNIDSSA-N 0 0 260.680 3.999 50 30 CHEARN COc1ccc2ncc(C#N)c(Nc3ccccc3)c2c1 ZINC000064438777 566977288 /nfs/dbraw/zinc/97/72/88/566977288.db2.gz VFCIPMHEXNHQAB-UHFFFAOYSA-N 0 0 275.311 3.859 50 30 CHEARN C=CCSc1ccccc1NC(=O)c1cc(C)no1 ZINC000036394376 567001990 /nfs/dbraw/zinc/00/19/90/567001990.db2.gz BCELHFYVBAQFGT-UHFFFAOYSA-N 0 0 274.345 3.513 50 30 CHEARN C=CCCC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000065549368 567010294 /nfs/dbraw/zinc/01/02/94/567010294.db2.gz XMIAEWXQERMOME-UHFFFAOYSA-N 0 0 297.402 3.960 50 30 CHEARN CC(C)NC(=O)c1ccc(NCC(C)(C)CCC#N)cc1 ZINC000170597437 567011724 /nfs/dbraw/zinc/01/17/24/567011724.db2.gz GAVRSOCAJKAJIV-UHFFFAOYSA-N 0 0 287.407 3.567 50 30 CHEARN N#Cc1cccc(N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000240569378 567015194 /nfs/dbraw/zinc/01/51/94/567015194.db2.gz HABYEMXGONVJSR-GFCCVEGCSA-N 0 0 295.308 3.512 50 30 CHEARN CCC[C@@H](C#N)NC(=O)c1cccc(-c2csc(C)n2)c1 ZINC000076065725 567030056 /nfs/dbraw/zinc/03/00/56/567030056.db2.gz MCXXHTSFTGCFMR-AWEZNQCLSA-N 0 0 299.399 3.541 50 30 CHEARN CCOCc1cccc(NCc2cccc(C#N)c2)c1 ZINC000089988678 567033557 /nfs/dbraw/zinc/03/35/57/567033557.db2.gz OUYBTNKUDRZCSA-UHFFFAOYSA-N 0 0 266.344 3.707 50 30 CHEARN Cc1cc([N+](=O)[O-])ccc1N=Cc1ccc([N+](=O)[O-])s1 ZINC000252462141 567051728 /nfs/dbraw/zinc/05/17/28/567051728.db2.gz QDXQJNOODASDFA-UHFFFAOYSA-N 0 0 291.288 3.624 50 30 CHEARN CC(=O)N(C)c1ccc(N=Cc2ccc(C)cc2)cc1 ZINC000252460919 567051942 /nfs/dbraw/zinc/05/19/42/567051942.db2.gz JEUDPSOASHTNQU-UHFFFAOYSA-N 0 0 266.344 3.728 50 30 CHEARN O=C(C=C1NC[C@H](c2ccccc2)O1)c1ccc(Cl)cc1 ZINC000252506299 567060478 /nfs/dbraw/zinc/06/04/78/567060478.db2.gz VYSZAJKDBQTOGB-FNTDYBJHSA-N 0 0 299.757 3.725 50 30 CHEARN COc1ccc(C(=O)C=CNc2ccc(O)cc2)cc1 ZINC000252593850 567066092 /nfs/dbraw/zinc/06/60/92/567066092.db2.gz BNDBEQBUCWHGMF-RRIMESBASA-N 0 0 269.300 3.702 50 30 CHEARN CCCCCCCCCC[C@@H]1C[C@@H]2C[C@@H](O)O[C@H]2O1 ZINC000252613465 567067661 /nfs/dbraw/zinc/06/76/61/567067661.db2.gz JBVBWQPXSQZSQR-LVQVYYBASA-N 0 0 270.413 3.987 50 30 CHEARN CC(=NOC(=O)c1ccccc1Cl)c1cccs1 ZINC000252630086 567069952 /nfs/dbraw/zinc/06/99/52/567069952.db2.gz UUFVGKXMWHTTJZ-UHFFFAOYSA-N 0 0 279.748 3.983 50 30 CHEARN COc1ccc(N=Cc2ccc(Br)o2)cc1 ZINC000252628848 567070034 /nfs/dbraw/zinc/07/00/34/567070034.db2.gz SZJZAESIKJWNTK-UHFFFAOYSA-N 0 0 280.121 3.801 50 30 CHEARN CC(C)[C@@H]1CC[C@@H]2C[C@@H]3O[C@@]34CC[C@H](C4)CC(=O)[C@@H]21 ZINC000071786492 567090693 /nfs/dbraw/zinc/09/06/93/567090693.db2.gz VSBUDEPPTQGEIN-ASANIRNASA-N 0 0 262.393 3.585 50 30 CHEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]21C ZINC000058665987 567091660 /nfs/dbraw/zinc/09/16/60/567091660.db2.gz BFPYWIDHMRZLRN-WAPOTWQKSA-N 0 0 296.410 3.613 50 30 biogenic CHEARN COc1ccc(C=Cc2nc3cc(C#N)ccc3[nH]2)cc1 ZINC000055182648 567100531 /nfs/dbraw/zinc/10/05/31/567100531.db2.gz ODPORMNUEMWWBU-WEVVVXLNSA-N 0 0 275.311 3.614 50 30 CHEARN N#Cc1c(=S)[nH]c2c(c1-c1cccnc1)CCCC2 ZINC000000434673 567103958 /nfs/dbraw/zinc/10/39/58/567103958.db2.gz VBAIBNJKSSGRCE-UHFFFAOYSA-N 0 0 267.357 3.557 50 30 CHEARN N#Cc1nc(-c2ccccc2F)oc1NCc1ccccc1 ZINC000000468399 567104262 /nfs/dbraw/zinc/10/42/62/567104262.db2.gz AGHZEQDXMFREGV-UHFFFAOYSA-N 0 0 293.301 3.964 50 30 CHEARN S=C(N/N=C\c1ccccc1Cl)Nc1ccccc1 ZINC000013114133 567115476 /nfs/dbraw/zinc/11/54/76/567115476.db2.gz RZHZSGICBDFBBE-YBEGLDIGSA-N 0 0 289.791 3.661 50 30 CHEARN N#Cc1ccccc1C(=O)CCc1cc(F)c(F)c(F)c1 ZINC000002517842 567118248 /nfs/dbraw/zinc/11/82/48/567118248.db2.gz DQVNIZCFKWOSKB-UHFFFAOYSA-N 0 0 289.256 3.791 50 30 CHEARN CC(=CC(=O)C(F)(F)F)NNc1ccc(Cl)cc1 ZINC000013395267 567118465 /nfs/dbraw/zinc/11/84/65/567118465.db2.gz JCJOIUFEPRLUIN-FRKPEAEDSA-N 0 0 278.661 3.649 50 30 CHEARN N#Cc1cccc(C(=O)CCc2cccc(F)c2)c1 ZINC000002517323 567120926 /nfs/dbraw/zinc/12/09/26/567120926.db2.gz USDFCGJFWAAGMP-UHFFFAOYSA-N 0 0 253.276 3.513 50 30 CHEARN Cc1ccc(-c2cc(CC(C)C)nc(N)c2C#N)cc1 ZINC000019787354 567123945 /nfs/dbraw/zinc/12/39/45/567123945.db2.gz IJUKXMWXHLTXAN-UHFFFAOYSA-N 0 0 265.360 3.709 50 30 CHEARN CC#CC(=O)N[C@@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000330032410 567125355 /nfs/dbraw/zinc/12/53/55/567125355.db2.gz MTGCIJFOEDAWBU-SFHVURJKSA-N 0 0 293.366 3.959 50 30 CHEARN CCCc1nc(N2CCCCC2)c(C#N)c2c1CCCC2 ZINC000020827001 567136626 /nfs/dbraw/zinc/13/66/26/567136626.db2.gz QWTJAFCWHHDJSI-UHFFFAOYSA-N 0 0 283.419 3.775 50 30 CHEARN Cc1sc(N=Cc2ccccc2O)c(C#N)c1C ZINC000254499244 567136672 /nfs/dbraw/zinc/13/66/72/567136672.db2.gz YTDLXGRSRDVSKQ-UHFFFAOYSA-N 0 0 256.330 3.693 50 30 aggregator CHEARN CC(=O)C(N=Nc1ccccc1)=NNc1ccccc1 ZINC000254751602 567156424 /nfs/dbraw/zinc/15/64/24/567156424.db2.gz BQKCJZTWOQOUSP-UHFFFAOYSA-N 0 0 266.304 3.785 50 30 CHEARN Cc1cc(=O)oc2cc(NCc3ccccc3C#N)ccc12 ZINC000057722648 567163641 /nfs/dbraw/zinc/16/36/41/567163641.db2.gz QJGJVVCHEOZHRO-UHFFFAOYSA-N 0 0 290.322 3.585 50 30 CHEARN Cc1cc(C#N)c(C)n1-c1ccc(Br)cc1 ZINC000003165770 567163753 /nfs/dbraw/zinc/16/37/53/567163753.db2.gz FSHZEVQADSBEMI-UHFFFAOYSA-N 0 0 275.149 3.728 50 30 CHEARN Cc1ccc(C(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1C ZINC000003287106 567167635 /nfs/dbraw/zinc/16/76/35/567167635.db2.gz ADKBAQFPONFDTK-AWEZNQCLSA-N 0 0 279.339 3.825 50 30 CHEARN C[C@H](NC(=O)c1cccc(C#N)c1)c1ccccc1Cl ZINC000003357765 567172061 /nfs/dbraw/zinc/17/20/61/567172061.db2.gz JMGDWPIVCYPXHV-NSHDSACASA-N 0 0 284.746 3.703 50 30 CHEARN Cc1ccc(OCCCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000003437275 567174157 /nfs/dbraw/zinc/17/41/57/567174157.db2.gz XOQMINKTQRTGAQ-UHFFFAOYSA-N 0 0 294.354 3.664 50 30 CHEARN Cc1ccc(C)c(OC(=O)c2cccc(C#N)c2)c1C ZINC000003518828 567175740 /nfs/dbraw/zinc/17/57/40/567175740.db2.gz HWVCQDMCNQKQID-UHFFFAOYSA-N 0 0 265.312 3.703 50 30 CHEARN C=CCCC(=O)N[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000670448121 567177524 /nfs/dbraw/zinc/17/75/24/567177524.db2.gz OLNBISUNZAURKZ-CYBMUJFWSA-N 0 0 283.371 3.992 50 30 CHEARN C[C@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000031102477 567177850 /nfs/dbraw/zinc/17/78/50/567177850.db2.gz IXLBCLRHTMTFAK-KBPBESRZSA-N 0 0 293.370 3.680 50 30 CHEARN Cc1nc2ccccn2c1C(=O)/C=C/c1ccc(C)cc1 ZINC000004002928 567181007 /nfs/dbraw/zinc/18/10/07/567181007.db2.gz BEHGCPGBNAMRHN-ZHACJKMWSA-N 0 0 276.339 3.847 50 30 CHEARN COc1cccc2c1N(Cc1ccc(C#N)cc1)CCC2 ZINC000031580977 567182401 /nfs/dbraw/zinc/18/24/01/567182401.db2.gz QIXQHVSUISRWOJ-UHFFFAOYSA-N 0 0 278.355 3.520 50 30 CHEARN Cc1ccccc1/C=C/C(=O)c1ccccc1N(C)C ZINC000025665881 567212426 /nfs/dbraw/zinc/21/24/26/567212426.db2.gz DTSZCKLSODVEFH-OUKQBFOZSA-N 0 0 265.356 3.957 50 30 CHEARN N#C[C@H]1C=Cc2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000000005793 567816442 /nfs/dbraw/zinc/81/64/42/567816442.db2.gz LUVKPKVQLSIRFM-OAHLLOKOSA-N 0 0 294.741 3.906 50 30 CHEARN CC(=O)c1ccc(N=Cc2ccc(N(C)C)cc2)cc1 ZINC000000028228 567816486 /nfs/dbraw/zinc/81/64/86/567816486.db2.gz POVLCHRCTGPRKU-LDADJPATSA-N 0 0 266.344 3.706 50 30 CHEARN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OC(C)=O ZINC000000068336 567817514 /nfs/dbraw/zinc/81/75/14/567817514.db2.gz KKOBTWPRTYJYBI-YBFXNURJSA-N 0 0 297.354 3.988 50 30 CHEARN CC1(C)C[C@@H]([C@H](CC#N)Cc2ccccc2)CCO1 ZINC000000209717 567822079 /nfs/dbraw/zinc/82/20/79/567822079.db2.gz XIDXZWBPVXHTDH-CVEARBPZSA-N 0 0 257.377 3.964 50 30 CHEARN N#Cc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000288434 567823896 /nfs/dbraw/zinc/82/38/96/567823896.db2.gz YFRGRNYNVOPCLE-RQZCQDPDSA-N 0 0 285.690 3.870 50 30 CHEARN Brc1ccc(/N=C/c2ccncc2)cc1 ZINC000000368791 567827435 /nfs/dbraw/zinc/82/74/35/567827435.db2.gz QKQIZDZKMNKOAI-OQLLNIDSSA-N 0 0 261.122 3.595 50 30 CHEARN O=C1C=C(Cc2ccc(Cl)cc2)C(=O)c2ccccc21 ZINC000000434084 567830105 /nfs/dbraw/zinc/83/01/05/567830105.db2.gz UOMYJSHYFFWGGY-UHFFFAOYSA-N 0 0 282.726 3.888 50 30 CHEARN COc1ccc2c(c1)CC/C2=N\OC(=O)c1cccc(C)c1 ZINC000000453315 567830926 /nfs/dbraw/zinc/83/09/26/567830926.db2.gz PVQCJIYGGABACM-HTXNQAPBSA-N 0 0 295.338 3.511 50 30 CHEARN c1ccc(/N=C2/SCCN2c2ccccc2)cc1 ZINC000000477985 567832330 /nfs/dbraw/zinc/83/23/30/567832330.db2.gz DQWCNPBQMZOLKW-FOCLMDBBSA-N 0 0 254.358 3.928 50 30 CHEARN Cc1cccc2c3nc4ccccc4nc3n(CC#N)c21 ZINC000000532905 567833257 /nfs/dbraw/zinc/83/32/57/567833257.db2.gz UQGVWJZJJHVJFC-UHFFFAOYSA-N 0 0 272.311 3.570 50 30 CHEARN Cc1ccc2c(c1)c1nc3ccccc3nc1n2CC#N ZINC000000551495 567833461 /nfs/dbraw/zinc/83/34/61/567833461.db2.gz ZCUUSIUOCMWAEW-UHFFFAOYSA-N 0 0 272.311 3.570 50 30 CHEARN Cc1ccccc1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000001097082 567836207 /nfs/dbraw/zinc/83/62/07/567836207.db2.gz KODJJJLFQJWWCE-XMHGGMMESA-N 0 0 280.371 3.582 50 30 CHEARN CN(C)/C=C/C(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000001397439 567837346 /nfs/dbraw/zinc/83/73/46/567837346.db2.gz HSWYKBXCUZHENK-ZHACJKMWSA-N 0 0 292.338 3.753 50 30 CHEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@]21C ZINC000001482123 567837728 /nfs/dbraw/zinc/83/77/28/567837728.db2.gz ICTXHFFSOAJUMG-WAPOTWQKSA-N 0 0 298.426 3.637 50 30 CHEARN CCC=CN=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000002086792 567844901 /nfs/dbraw/zinc/84/49/01/567844901.db2.gz URMFIPFOCJMAIQ-SLCPPWGYSA-N 0 0 288.332 3.692 50 30 CHEARN C=CCSC1=N/C(=C\c2cccc(OC)c2)C(=O)S1 ZINC000003001175 567850983 /nfs/dbraw/zinc/85/09/83/567850983.db2.gz DWTSQJHMLZFKMG-XFXZXTDPSA-N 0 0 291.397 3.585 50 30 CHEARN CC1(C)CSC(Nc2cccc(C(F)(F)F)c2)=N1 ZINC000003426664 567852713 /nfs/dbraw/zinc/85/27/13/567852713.db2.gz CIZBLFDLXGYQGQ-UHFFFAOYSA-N 0 0 274.311 3.808 50 30 CHEARN Cc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000004289063 567856711 /nfs/dbraw/zinc/85/67/11/567856711.db2.gz CDRXRUCMKRIPTF-MDZDMXLPSA-N 0 0 267.284 3.799 50 30 CHEARN CCNc1ccccc(C(=O)/C=C/c2ccc(C)cc2)c1=O ZINC000004667353 567858908 /nfs/dbraw/zinc/85/89/08/567858908.db2.gz WPWCQYFUZUVYQQ-OUKQBFOZSA-N 0 0 293.366 3.683 50 30 CHEARN CCCCCCCNC(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000002734351 567860554 /nfs/dbraw/zinc/86/05/54/567860554.db2.gz TXOMTHRKLJOQFN-HOTGVXAUSA-N 0 0 259.393 3.877 50 30 CHEARN C(=C/c1ccccc1)\C=N\c1ccc(N2CCOCC2)cc1 ZINC000003001715 567860655 /nfs/dbraw/zinc/86/06/55/567860655.db2.gz GOAZUZPSORXXEJ-LIJKSJPWSA-N 0 0 292.382 3.939 50 30 CHEARN COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1 ZINC000012368640 567862573 /nfs/dbraw/zinc/86/25/73/567862573.db2.gz QYTJDCMWDKBJFO-QINSGFPZSA-N 0 0 264.324 3.908 50 30 CHEARN Cc1cc(/C=N/O)c(C)n1-c1ccc(Br)cc1 ZINC000013111241 567864924 /nfs/dbraw/zinc/86/49/24/567864924.db2.gz WLHFIVDYNXQZNL-OVCLIPMQSA-N 0 0 293.164 3.665 50 30 CHEARN O/N=C(\Nc1ccccc1Cl)c1c(F)cccc1F ZINC000013146763 567865323 /nfs/dbraw/zinc/86/53/23/567865323.db2.gz VZCHIUNIBJEORU-UHFFFAOYSA-N 0 0 282.677 3.866 50 30 CHEARN Nc1ccccc1NC1=CC(=O)C[C@@H](c2ccccc2)C1 ZINC000013572453 567866762 /nfs/dbraw/zinc/86/67/62/567866762.db2.gz FHBLFDXTCULSMB-AWEZNQCLSA-N 0 0 278.355 3.711 50 30 CHEARN N#Cc1ccccc1NCCCCOc1ccccc1 ZINC000032892675 567870505 /nfs/dbraw/zinc/87/05/05/567870505.db2.gz LJSCZYDPFGRLMG-UHFFFAOYSA-N 0 0 266.344 3.829 50 30 CHEARN CC(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000032915032 567872956 /nfs/dbraw/zinc/87/29/56/567872956.db2.gz JCECARWRZMYCPB-KRWDZBQOSA-N 0 0 278.355 3.937 50 30 CHEARN COc1ccc(/N=C(\C)c2ccc(OC)cc2)cc1 ZINC000017288143 567875344 /nfs/dbraw/zinc/87/53/44/567875344.db2.gz UFKQRFKJIPICMZ-SFQUDFHCSA-N 0 0 255.317 3.845 50 30 CHEARN COc1ccc([C@@H]2CC(=O)C=C(NCCC(C)C)C2)cc1 ZINC000018250676 567877103 /nfs/dbraw/zinc/87/71/03/567877103.db2.gz KFTCVHYTQYIZQI-HNNXBMFYSA-N 0 0 287.403 3.661 50 30 CHEARN N#Cc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000019431337 567877736 /nfs/dbraw/zinc/87/77/36/567877736.db2.gz IFOVOZUCJCVISW-UHFFFAOYSA-N 0 0 264.206 3.764 50 30 CHEARN COc1cccc(/C=C/C(=O)c2ccccc2C)c1OC ZINC000028524276 567884141 /nfs/dbraw/zinc/88/41/41/567884141.db2.gz KIMFWOXKRNXNCS-VAWYXSNFSA-N 0 0 282.339 3.908 50 30 CHEARN CCOc1ccccc1/C=C/C(=O)c1ccc(C)o1 ZINC000032789076 567886233 /nfs/dbraw/zinc/88/62/33/567886233.db2.gz VDPFMGCDSRWEQX-MDZDMXLPSA-N 0 0 256.301 3.883 50 30 CHEARN N#C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000037355476 567889974 /nfs/dbraw/zinc/88/99/74/567889974.db2.gz LKASVTNUQXFRLB-LBPRGKRZSA-N 0 0 255.148 3.654 50 30 CHEARN Cc1noc2c1[C@@H](c1cccc(F)c1)C1=C(CCCC1=O)N2 ZINC000013690424 567893949 /nfs/dbraw/zinc/89/39/49/567893949.db2.gz FDYXUPPBYKRDBT-OAHLLOKOSA-N 0 0 298.317 3.687 50 30 CHEARN C[C@@H](Nc1cc(C#N)c(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000004622906 567894673 /nfs/dbraw/zinc/89/46/73/567894673.db2.gz SDPKTRZDDFHWNB-LLVKDONJSA-N 0 0 292.298 3.511 50 30 CHEARN C[C@H](CC#N)NC(=O)N(c1ccccc1)c1ccccc1 ZINC000097082762 567903988 /nfs/dbraw/zinc/90/39/88/567903988.db2.gz SZWMVHSGGDNHHO-CQSZACIVSA-N 0 0 279.343 3.836 50 30 CHEARN C[C@@H](CC#N)NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000097163228 567905538 /nfs/dbraw/zinc/90/55/38/567905538.db2.gz BQBYHNVNJFBQSZ-ZDUSSCGKSA-N 0 0 279.343 3.777 50 30 CHEARN C#Cc1cccc(NCc2c(Cl)cccc2OC)c1 ZINC000097049506 567906642 /nfs/dbraw/zinc/90/66/42/567906642.db2.gz GNVODHYSPPYXCD-UHFFFAOYSA-N 0 0 271.747 3.942 50 30 CHEARN COc1cc(/C=N/O)ccc1OCc1ccccc1Cl ZINC000100115284 567912221 /nfs/dbraw/zinc/91/22/21/567912221.db2.gz KRTDFHGFQAZYDV-RQZCQDPDSA-N 0 0 291.734 3.736 50 30 CHEARN Cc1cc(C)cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c1 ZINC000046440791 567913084 /nfs/dbraw/zinc/91/30/84/567913084.db2.gz NLFQXELPKFHBSW-CQSZACIVSA-N 0 0 289.338 3.670 50 30 CHEARN O=C(C=CNc1ccc(Br)cc1)C(F)(F)F ZINC000100645684 567913609 /nfs/dbraw/zinc/91/36/09/567913609.db2.gz VBODWDWEPNVSJO-WAYWQWQTSA-N 0 0 294.070 3.506 50 30 CHEARN COc1ccc(NC2=NC(C)(C)Cc3ccccc32)cc1 ZINC000000100227 567915116 /nfs/dbraw/zinc/91/51/16/567915116.db2.gz BTDGVORSUWUPHA-UHFFFAOYSA-N 0 0 280.371 3.698 50 30 CHEARN O=C1CC(=O)CC(c2ccc(Cl)c(Cl)c2)C1 ZINC000084460128 567915348 /nfs/dbraw/zinc/91/53/48/567915348.db2.gz GUAGWXTVNDXCMH-QMMMGPOBSA-N 0 0 257.116 3.882 50 30 CHEARN CCCc1[nH]nc2c1C(=NO)C[C@@H](C[C@@H](C)SCC)C2 ZINC000104423906 567916921 /nfs/dbraw/zinc/91/69/21/567916921.db2.gz BUXDUGLGKALBHG-URDLNDTPSA-N 0 0 295.452 3.635 50 30 CHEARN Cc1ccc(/N=C\c2cc3ccccc3[nH]c2=O)cc1 ZINC000000178569 567924350 /nfs/dbraw/zinc/92/43/50/567924350.db2.gz HQRZEXRVDKCHKJ-WQRHYEAKSA-N 0 0 262.312 3.587 50 30 CHEARN CC(C)N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000243826 567925291 /nfs/dbraw/zinc/92/52/91/567925291.db2.gz RHCSXOMRNOOFDS-UHFFFAOYSA-N 0 0 276.321 3.526 50 30 CHEARN O=C1c2ccccc2C/C1=C/c1ccc(Br)o1 ZINC000000247065 567925306 /nfs/dbraw/zinc/92/53/06/567925306.db2.gz UHDGPPPQZZCIQF-NTMALXAHSA-N 0 0 289.128 3.865 50 30 CHEARN Cc1cccc(O)c1/N=C/c1cc(Cl)ccc1O ZINC000000224232 567925450 /nfs/dbraw/zinc/92/54/50/567925450.db2.gz BEZXXAOWBQYFBC-LZYBPNLTSA-N 0 0 261.708 3.810 50 30 CHEARN O=C1C=C(NC2CCCC2)C[C@H](c2ccccc2)C1 ZINC000000267168 567926050 /nfs/dbraw/zinc/92/60/50/567926050.db2.gz BZQNXHSOCBDSNX-AWEZNQCLSA-N 0 0 255.361 3.549 50 30 CHEARN N#Cc1c2c(sc1/N=C/c1ccccc1O)CCCC2 ZINC000000295788 567926480 /nfs/dbraw/zinc/92/64/80/567926480.db2.gz BWIYCJPFVIVKTG-VCHYOVAHSA-N 0 0 282.368 3.955 50 30 CHEARN CCCCCCCCCCCCNC(=O)N(C)C(=O)NC ZINC000135713686 567928014 /nfs/dbraw/zinc/92/80/14/567928014.db2.gz QJEULDFVGGCUGA-UHFFFAOYSA-N 0 0 299.459 3.888 50 30 CHEARN O=c1sc2ccccc2nc1Cc1ccccc1 ZINC000100684318 567928440 /nfs/dbraw/zinc/92/84/40/567928440.db2.gz MQWWHLFHJVMIOD-RAXLEYEMSA-N 0 0 253.326 3.772 50 30 CHEARN CCOc1cc(/C=C/C(=O)c2cccc(O)c2)ccc1OC ZINC000008322423 567933136 /nfs/dbraw/zinc/93/31/36/567933136.db2.gz DBFGENAPEQYTQV-VQHVLOKHSA-N 0 0 298.338 3.696 50 30 CHEARN O/N=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000100891699 567939405 /nfs/dbraw/zinc/93/94/05/567939405.db2.gz IEIUYVSVIFBNHQ-CXUHLZMHSA-N 0 0 261.708 3.727 50 30 CHEARN c1ccc(NN=C(CN2CCCCC2)c2ccccc2)cc1 ZINC000018193949 567940349 /nfs/dbraw/zinc/94/03/49/567940349.db2.gz USIHXYJOKLLXTP-VZCXRCSSSA-N 0 0 293.414 3.989 50 30 CHEARN N#Cc1c(NC(=O)/C=C/c2ccccc2)sc2c1CCC2 ZINC000000501651 567940866 /nfs/dbraw/zinc/94/08/66/567940866.db2.gz SATZEKGXGUFJRS-MDZDMXLPSA-N 0 0 294.379 3.760 50 30 CHEARN C=C(C)[C@@H]1CCC(C)=C1COC(=O)c1ccncc1 ZINC000000526335 567942440 /nfs/dbraw/zinc/94/24/40/567942440.db2.gz XJRKWXZLAWTTGH-AWEZNQCLSA-N 0 0 257.333 3.541 50 30 biogenic CHEARN O=C1c2ccc(O)cc2O/C1=C\c1ccccc1Cl ZINC000000542072 567942661 /nfs/dbraw/zinc/94/26/61/567942661.db2.gz JRUSQMJYCWZQOD-AUWJEWJLSA-N 0 0 272.687 3.662 50 30 biogenic CHEARN O=[N+]([O-])c1ccc(-n2cccc2/C=N\C2CCCC2)cc1 ZINC000103659565 567942942 /nfs/dbraw/zinc/94/29/42/567942942.db2.gz FSPVQCQTBRXYNM-ATVHPVEESA-N 0 0 283.331 3.747 50 30 CHEARN C=C(Br)Cn1c2ccccc2nc1CC ZINC000000552916 567943117 /nfs/dbraw/zinc/94/31/17/567943117.db2.gz STLZZYGRXNVQKV-UHFFFAOYSA-N 0 0 265.154 3.507 50 30 CHEARN COC(=O)OC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC000000280915 567944711 /nfs/dbraw/zinc/94/47/11/567944711.db2.gz ZFUFPWZKKWYAEM-UHFFFAOYSA-N 0 0 280.279 3.534 50 30 CHEARN Cc1cccc(NC=CC(=O)c2ccc3c(c2)OCO3)c1C ZINC000044842394 567946064 /nfs/dbraw/zinc/94/60/64/567946064.db2.gz IOSSCZOSUZVCMH-CMDGGOBGSA-N 0 0 295.338 3.841 50 30 CHEARN CC(C)CCC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000025440031 570230651 /nfs/dbraw/zinc/23/06/51/570230651.db2.gz MQGZUAJEVQPXMG-UHFFFAOYSA-N 0 0 258.365 3.862 50 30 CHEARN CC(=O)C1C(=O)C=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000101053379 570281680 /nfs/dbraw/zinc/28/16/80/570281680.db2.gz BWIIRLQJOTZUNV-YUSFRKCESA-N 0 0 270.284 3.845 50 30 CHEARN N#Cc1cn(CCOc2ccccc2)c2ccccc12 ZINC000000555474 570287734 /nfs/dbraw/zinc/28/77/34/570287734.db2.gz AMYQNTYMBATGEH-UHFFFAOYSA-N 0 0 262.312 3.592 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1NCC1(c2ccccc2)CC1 ZINC000048273753 570296888 /nfs/dbraw/zinc/29/68/88/570296888.db2.gz UJHXYXJQOOWPDJ-UHFFFAOYSA-N 0 0 293.326 3.610 50 30 CHEARN Cc1ncc(-c2ccc(C(C)(C)C#N)cc2)nc1C ZINC000215100110 570302242 /nfs/dbraw/zinc/30/22/42/570302242.db2.gz XZADGNXMXUPKAO-UHFFFAOYSA-N 0 0 251.333 3.562 50 30 CHEARN O=C(/C=C/C(Cl)(Cl)Cl)c1cccs1 ZINC000003107123 570320064 /nfs/dbraw/zinc/32/00/64/570320064.db2.gz CENYXUFNYPJQKH-ONEGZZNKSA-N 0 0 255.553 3.857 50 30 CHEARN Cc1cc2ncc(C#N)c(Cl)c2cc1Br ZINC000016697147 570366544 /nfs/dbraw/zinc/36/65/44/570366544.db2.gz PCBYOKLAJIMANM-UHFFFAOYSA-N 0 0 281.540 3.831 50 30 CHEARN N#CCc1cc(Cl)c(OC(F)F)cc1Cl ZINC000263624614 570325693 /nfs/dbraw/zinc/32/56/93/570325693.db2.gz RZCVLDCWOFECHK-UHFFFAOYSA-N 0 0 252.047 3.661 50 30 CHEARN C=CCO/N=C(\C)c1sc2nc3ccccc3n2c1C ZINC000004024348 570330667 /nfs/dbraw/zinc/33/06/67/570330667.db2.gz YYVXWZUPVHQJBQ-LICLKQGHSA-N 0 0 285.372 3.784 50 30 CHEARN C=C(Br)CCc1cc(OC)ccc1OC ZINC000043208794 570331021 /nfs/dbraw/zinc/33/10/21/570331021.db2.gz RUUJVFAMPFLIFT-UHFFFAOYSA-N 0 0 271.154 3.545 50 30 CHEARN CN1CCN(c2ccc(C#N)c(Cl)c2)Cc2ccccc21 ZINC000083881727 570332754 /nfs/dbraw/zinc/33/27/54/570332754.db2.gz DSDRXROWYLUMKN-UHFFFAOYSA-N 0 0 297.789 3.668 50 30 CHEARN CC(C)CO/N=C1\c2ccccc2N(c2ccccc2)C1=O ZINC000001387560 570333426 /nfs/dbraw/zinc/33/34/26/570333426.db2.gz FGXQFIURZIYOOE-HTXNQAPBSA-N 0 0 294.354 3.742 50 30 CHEARN C=CCN(CC=C)C(=O)c1oc2ccc(C)cc2c1C ZINC000012432043 570339720 /nfs/dbraw/zinc/33/97/20/570339720.db2.gz CNCOUFONZMKFDM-UHFFFAOYSA-N 0 0 269.344 3.864 50 30 CHEARN CC1(C)CC(=O)C(=Cc2c[nH]c3ccccc23)C(=O)C1 ZINC000000174694 570357165 /nfs/dbraw/zinc/35/71/65/570357165.db2.gz PVETXUPWVJBODN-UHFFFAOYSA-N 0 0 267.328 3.510 50 30 biogenic CHEARN C=C(C)COc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000000125001 570357177 /nfs/dbraw/zinc/35/71/77/570357177.db2.gz SYAQUPQZRPWGQP-UHFFFAOYSA-N 0 0 266.296 3.901 50 30 biogenic CHEARN Cc1c(/N=C/c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003665311 570379051 /nfs/dbraw/zinc/37/90/51/570379051.db2.gz IIDCPLJBQOGTDQ-OQLLNIDSSA-N 0 0 285.259 3.562 50 30 CHEARN O=C1C=C(c2ccc(Cl)cc2)C(=O)c2ccccc21 ZINC000000298520 570382831 /nfs/dbraw/zinc/38/28/31/570382831.db2.gz XQEOWTYNOPAHNQ-UHFFFAOYSA-N 0 0 268.699 3.803 50 30 CHEARN CC(C)(C)[Si](C)(C)n1ccc2cc(C#N)cnc21 ZINC000299804102 570387868 /nfs/dbraw/zinc/38/78/68/570387868.db2.gz ZMHAPCXTPUHEKE-UHFFFAOYSA-N 0 0 257.413 3.761 50 30 CHEARN N#Cc1cn(CCOc2ccc(F)cc2)c2ccccc12 ZINC000000382163 570387946 /nfs/dbraw/zinc/38/79/46/570387946.db2.gz OSUKYUZITILLHQ-UHFFFAOYSA-N 0 0 280.302 3.731 50 30 CHEARN Cc1nnc(Oc2ccc(C#N)cc2)c2ccccc12 ZINC000013023030 570391388 /nfs/dbraw/zinc/39/13/88/570391388.db2.gz QNVUJHVPGBRPCI-UHFFFAOYSA-N 0 0 261.284 3.602 50 30 CHEARN CC[C@@H](NC(=O)c1cccc(C#N)c1)c1nc(C)c(C)s1 ZINC000067769760 570393937 /nfs/dbraw/zinc/39/39/37/570393937.db2.gz OWSNWRYFDXCVEF-CQSZACIVSA-N 0 0 299.399 3.513 50 30 CHEARN c1nc(-c2ccccc2)c(-c2ccccc2)n1C[C@H]1CO1 ZINC000037866030 570395681 /nfs/dbraw/zinc/39/56/81/570395681.db2.gz DGBJXAUJNTXGJB-INIZCTEOSA-N 0 0 276.339 3.616 50 30 CHEARN Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1C ZINC000002625939 570396895 /nfs/dbraw/zinc/39/68/95/570396895.db2.gz WXIIXMIECSDUBK-UHFFFAOYSA-N 0 0 268.272 3.876 50 30 CHEARN N#Cc1ccsc1NC(=O)Cc1cccc2ccccc21 ZINC000002692899 570397944 /nfs/dbraw/zinc/39/79/44/570397944.db2.gz SGXPXUMVKUFTCC-UHFFFAOYSA-N 0 0 292.363 3.954 50 30 CHEARN Cc1sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c(C#N)c1C ZINC000002729699 570398000 /nfs/dbraw/zinc/39/80/00/570398000.db2.gz XIZXIKNKEHSKDO-KGLIPLIRSA-N 0 0 296.395 3.979 50 30 CHEARN N#CCCCOc1cccnc1NCc1ccc(F)cc1 ZINC000162269968 570398347 /nfs/dbraw/zinc/39/83/47/570398347.db2.gz FALKRAQNPUTNBP-UHFFFAOYSA-N 0 0 285.322 3.515 50 30 CHEARN Cc1cc(-c2csc(CC#N)n2)c(C)n1Cc1ccco1 ZINC000003346100 570398715 /nfs/dbraw/zinc/39/87/15/570398715.db2.gz QBRGJKGTPYDWBY-UHFFFAOYSA-N 0 0 297.383 3.936 50 30 CHEARN CC(=O)c1ccccc1C#Cc1ccc(Cl)cc1 ZINC000514250929 1125265386 /nfs/dbraw/zinc/26/53/86/1125265386.db2.gz ZAVPSOJSNJLUEW-UHFFFAOYSA-N 0 0 254.716 3.942 50 30 CHEARN CC1(C#N)CCN(Cc2ccccc2OC(F)(F)F)CC1 ZINC000215652190 1125572316 /nfs/dbraw/zinc/57/23/16/1125572316.db2.gz NLYVZVSKNOPKIZ-UHFFFAOYSA-N 0 0 298.308 3.711 50 30 CHEARN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OC ZINC000055568704 1125658860 /nfs/dbraw/zinc/65/88/60/1125658860.db2.gz MBAOGGIITVETNN-UHFFFAOYSA-N 0 0 294.398 3.979 50 30 CHEARN CC(C)(C)OC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000083501840 1125727144 /nfs/dbraw/zinc/72/71/44/1125727144.db2.gz MOVVYXRWNBTPRZ-UHFFFAOYSA-N 0 0 260.337 3.835 50 30 CHEARN Cc1cccc(C)c1NC(=S)NN=C1C[C@@H]2CC=C[C@@H]12 ZINC000254309148 1127059487 /nfs/dbraw/zinc/05/94/87/1127059487.db2.gz FCGGAAUHJYVYHQ-QWHCGFSZSA-N 0 0 285.416 3.542 50 30 CHEARN C=C(C)[C@@H]1CC=C(C)C(=NNC(=S)NC2CCCC2)C1 ZINC000254491796 1127107698 /nfs/dbraw/zinc/10/76/98/1127107698.db2.gz ZDTKHRNWSIKTMV-CYBMUJFWSA-N 0 0 291.464 3.682 50 30 CHEARN C[C@H]1CCC[C@H](C)N1N=Cc1c(F)cccc1F ZINC000254747063 1127153164 /nfs/dbraw/zinc/15/31/64/1127153164.db2.gz QTOQJADUWOLWFL-QWRGUYRKSA-N 0 0 252.308 3.562 50 30 CHEARN COc1ccc2c(c1)CC[C@H]1[C@H]3CCC(=NN)[C@]3(C)CC[C@H]21 ZINC000254912262 1127164805 /nfs/dbraw/zinc/16/48/05/1127164805.db2.gz SOXXAISJFSZAOS-YWTNHNAXSA-N 0 0 298.430 3.866 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(C)o2)cc1C ZINC000011332958 1127779349 /nfs/dbraw/zinc/77/93/49/1127779349.db2.gz JFLNLLXXYFCADZ-FNORWQNLSA-N 0 0 256.301 3.801 50 30 CHEARN CC(C)COC(=O)/C=C/c1cn(CCC#N)c2ccccc12 ZINC000011828530 1127810843 /nfs/dbraw/zinc/81/08/43/1127810843.db2.gz SZALKJGKCZLHEN-CMDGGOBGSA-N 0 0 296.370 3.767 50 30 CHEARN Cc1ncsc1C(=O)/C=C/c1ccc(F)c(F)c1 ZINC000032912828 1128426120 /nfs/dbraw/zinc/42/61/20/1128426120.db2.gz VBXXMFOWZQTZND-HWKANZROSA-N 0 0 265.284 3.626 50 30 CHEARN CC(C)[C@H]1CC[C@H](C)/C(=C/c2ccc(N)cc2)C1=O ZINC000033646709 1117943530 /nfs/dbraw/zinc/94/35/30/1117943530.db2.gz GTUBLXPYISHKLW-PHHZVBRBSA-N 0 0 257.377 3.923 50 30 CHEARN Cc1csc(N=NCc2ccc(Cl)cc2)n1 ZINC000004475642 1117979959 /nfs/dbraw/zinc/97/99/59/1117979959.db2.gz YYEGQFKODLFTHT-AWNIVKPZSA-N 0 0 251.742 3.551 50 30 CHEARN CC(=O)Nc1ccc(/C=C2/Cc3c(cccc3F)C2=O)cc1 ZINC000072274756 1118694431 /nfs/dbraw/zinc/69/44/31/1118694431.db2.gz YJWRZSFXACBQKU-LCYFTJDESA-N 0 0 295.313 3.607 50 30 CHEARN Cc1nsc(N2CCC[C@@H]2c2cccs2)c1C#N ZINC000242147460 1128811339 /nfs/dbraw/zinc/81/13/39/1128811339.db2.gz WSAZUOGVQYKXAE-LLVKDONJSA-N 0 0 275.402 3.726 50 30 CHEARN C=CCOc1ccc(/C=C2/COc3ccccc3C2=O)cc1 ZINC000003582484 1119969073 /nfs/dbraw/zinc/96/90/73/1119969073.db2.gz PQFAKKPQFQYRBM-QINSGFPZSA-N 0 0 292.334 3.910 50 30 CHEARN COc1cccc(/C=C\C(=O)c2ccc(OC)cc2F)c1 ZINC000097993202 1120085868 /nfs/dbraw/zinc/08/58/68/1120085868.db2.gz AJYOQNUXIAZRIF-TWGQIWQCSA-N 0 0 286.302 3.739 50 30 CHEARN CC(=O)Nc1ccc(C(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000098007830 1120088549 /nfs/dbraw/zinc/08/85/49/1120088549.db2.gz KTADNCCVQYLKTP-WCIBSUBMSA-N 0 0 283.302 3.680 50 30 CHEARN O=C(/C=C/C=C/c1ccccc1)c1ccc2c(c1)OCO2 ZINC000046085342 1120787711 /nfs/dbraw/zinc/78/77/11/1120787711.db2.gz WNQMEKRZFHDEGB-KBXRYBNXSA-N 0 0 278.307 3.868 50 30 CHEARN O=C1c2cc(Cl)ccc2SC/C1=C/c1csnn1 ZINC000048341570 1120811327 /nfs/dbraw/zinc/81/13/27/1120811327.db2.gz KHZLHCVHOJWMSV-CLTKARDFSA-N 0 0 294.788 3.564 50 30 CHEARN Cc1ccsc1CN(C)c1snc(Cl)c1C#N ZINC000051376693 1120821789 /nfs/dbraw/zinc/82/17/89/1120821789.db2.gz GVFKQKCNIZVMGD-UHFFFAOYSA-N 0 0 283.809 3.675 50 30 CHEARN Cc1cc(=O)oc2cc(OCc3ccc(C#N)cc3)ccc12 ZINC000000252969 1120833788 /nfs/dbraw/zinc/83/37/88/1120833788.db2.gz AJTUOXGKSZLOON-UHFFFAOYSA-N 0 0 291.306 3.552 50 30 CHEARN O=C(/C=C/c1csc([N+](=O)[O-])c1)c1cccs1 ZINC000048578897 1120834378 /nfs/dbraw/zinc/83/43/78/1120834378.db2.gz AAUINNDJQFEKJE-ONEGZZNKSA-N 0 0 265.315 3.614 50 30 CHEARN CCOc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)cc1 ZINC000015554100 1121704813 /nfs/dbraw/zinc/70/48/13/1121704813.db2.gz RVIUGABGOHFFGG-KPKJPENVSA-N 0 0 277.323 3.853 50 30 CHEARN N#Cc1cccc(NC(=O)/C=C/c2ccc3ccccc3n2)c1 ZINC000015738836 1121963318 /nfs/dbraw/zinc/96/33/18/1121963318.db2.gz NZHMVFGUWVXQEX-ZHACJKMWSA-N 0 0 299.333 3.758 50 30 CHEARN Cc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)o1 ZINC000019732933 1122503289 /nfs/dbraw/zinc/50/32/89/1122503289.db2.gz BFIFTWSAMIFVIT-UHFFFAOYSA-N 0 0 281.359 3.763 50 30 CHEARN COc1cc(/C=C/C(=O)c2ccccc2F)cc(OC)c1 ZINC000004394063 1122744481 /nfs/dbraw/zinc/74/44/81/1122744481.db2.gz HTHTYBSSRYBPAE-BQYQJAHWSA-N 0 0 286.302 3.739 50 30 CHEARN CCn1c(SCC(C)(C)CC#N)nnc1-c1ccco1 ZINC000521395027 1123328690 /nfs/dbraw/zinc/32/86/90/1123328690.db2.gz RWFWHFMPDDUHGY-UHFFFAOYSA-N 0 0 290.392 3.590 50 30 CHEARN CCCC1CCC(c2ccc(C(=O)NO)cc2)CC1 ZINC000022033046 1124110618 /nfs/dbraw/zinc/11/06/18/1124110618.db2.gz DXKONNSQIFSTPK-UHFFFAOYSA-N 0 0 261.365 3.880 50 30 CHEARN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)c1ccccc1 ZINC000620313874 1125227626 /nfs/dbraw/zinc/22/76/26/1125227626.db2.gz HNDULSJMFNHZNS-BBWFWOEESA-N 0 0 269.388 3.890 50 30 CHEARN COc1cc(C(=O)/C=C\c2ccc(C)s2)ccc1O ZINC000096551532 1129541576 /nfs/dbraw/zinc/54/15/76/1129541576.db2.gz QMGJAIFBSPJXCE-VURMDHGXSA-N 0 0 274.341 3.667 50 30 CHEARN Cn1ncc2c1CC/C(=C\c1ccc3ccccc3c1)C2=O ZINC000097112628 1129584962 /nfs/dbraw/zinc/58/49/62/1129584962.db2.gz UYPRVTKTMMFBAW-LFIBNONCSA-N 0 0 288.350 3.786 50 30 CHEARN COc1ccc(N=Cc2ccc3ncccc3c2)cc1N ZINC000254508837 1129699192 /nfs/dbraw/zinc/69/91/92/1129699192.db2.gz YXTLUAIDCGVTOP-UHFFFAOYSA-N 0 0 277.327 3.576 50 30 CHEARN CN=c1scc(-c2ccccc2)n1N=Cc1ccsc1 ZINC000254757945 1129708921 /nfs/dbraw/zinc/70/89/21/1129708921.db2.gz DAPRFHOMIGZPCI-UHFFFAOYSA-N 0 0 299.424 3.691 50 30 CHEARN CC(=NNc1ccccc1C(F)(F)F)c1ccccn1 ZINC000254796954 1129710579 /nfs/dbraw/zinc/71/05/79/1129710579.db2.gz BTNFXJQZNJHJRY-UHFFFAOYSA-N 0 0 279.265 3.937 50 30 CHEARN CCOc1ccc(N=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000254815067 1129711698 /nfs/dbraw/zinc/71/16/98/1129711698.db2.gz BDZUXIKCTQWRGF-UHFFFAOYSA-N 0 0 270.288 3.744 50 30 CHEARN Clc1cc(CON=Cc2ccccc2)cc2c1OCO2 ZINC000254835865 1129712955 /nfs/dbraw/zinc/71/29/55/1129712955.db2.gz CEWDCEFMNNUCCK-UHFFFAOYSA-N 0 0 289.718 3.619 50 30 CHEARN CCCCC(C)=Nn1c(-c2ccco2)csc1=NC ZINC000254846726 1129713976 /nfs/dbraw/zinc/71/39/76/1129713976.db2.gz PSMRJXSGUIFTMN-UHFFFAOYSA-N 0 0 277.393 3.754 50 30 CHEARN C=CCN[C@@H](c1ccccc1)P(=O)(OCC)OCC ZINC000019774452 1129846644 /nfs/dbraw/zinc/84/66/44/1129846644.db2.gz WUQZQZOUBOKHHC-CQSZACIVSA-N 0 0 283.308 3.727 50 30 CHEARN Cc1ncsc1/C=C1\CCOc2ccc(F)cc2C1=O ZINC000078693537 1130218155 /nfs/dbraw/zinc/21/81/55/1130218155.db2.gz QYXNZVWBBKKPQY-UXBLZVDNSA-N 0 0 289.331 3.639 50 30 CHEARN Cc1ccc(Nc2nnc(SCCCC#N)s2)cc1 ZINC000006650282 230369845 /nfs/dbraw/zinc/36/98/45/230369845.db2.gz GADVIKUGGRKGML-UHFFFAOYSA-N 0 0 290.417 3.986 50 30 CHEARN N#CCc1ccc(C(F)(F)F)c(Br)c1 ZINC000095836206 185029976 /nfs/dbraw/zinc/02/99/76/185029976.db2.gz WNZBURKWVVBNCF-UHFFFAOYSA-N 0 0 264.044 3.534 50 30 CHEARN N#Cc1ccc(Cn2nc(Cl)c3ccccc32)c(F)c1 ZINC000095986704 185056247 /nfs/dbraw/zinc/05/62/47/185056247.db2.gz PUWNRWMJAGLNQR-UHFFFAOYSA-N 0 0 285.709 3.749 50 30 CHEARN Cn1ccnc1CSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000096007251 185063145 /nfs/dbraw/zinc/06/31/45/185063145.db2.gz KDMOIXKDYQVDJA-UHFFFAOYSA-N 0 0 297.305 3.603 50 30 CHEARN C[C@H](c1ccc(F)cc1)[S@@](=O)CCCC(C)(C)C#N ZINC000083079952 178337284 /nfs/dbraw/zinc/33/72/84/178337284.db2.gz FMLVWECCVYWMTD-CWTRNNRKSA-N 0 0 281.396 3.965 50 30 CHEARN COc1cc(/C=C\C(=O)c2ccc(C)o2)cc(Cl)c1O ZINC000096920982 185129824 /nfs/dbraw/zinc/12/98/24/185129824.db2.gz UZBSCOUUPHLFIW-PLNGDYQASA-N 0 0 292.718 3.852 50 30 CHEARN Cc1cn2c(/C=C\C(=O)c3ccc(O)cc3)c(C)nc2s1 ZINC000096930317 185132442 /nfs/dbraw/zinc/13/24/42/185132442.db2.gz JGRWNJKPYVYEHN-FPLPWBNLSA-N 0 0 298.367 3.614 50 30 CHEARN N#Cc1cccc(/C=C\c2ccc3cccc(O)c3n2)c1 ZINC000096939784 185133512 /nfs/dbraw/zinc/13/35/12/185133512.db2.gz WHDHJUSQNPTEQV-CLFYSBASSA-N 0 0 272.307 3.982 50 30 CHEARN Cn1ncc2c1CC/C(=C/c1csc3ccccc13)C2=O ZINC000098042601 185676863 /nfs/dbraw/zinc/67/68/63/185676863.db2.gz NWAXNKHBFOONOE-FLIBITNWSA-N 0 0 294.379 3.847 50 30 CHEARN COc1ccc(NC=CC(=O)c2ccccc2)cc1 ZINC000100244829 185709786 /nfs/dbraw/zinc/70/97/86/185709786.db2.gz KCZRIODRTNJXOY-VAWYXSNFSA-N 0 0 253.301 3.504 50 30 CHEARN C/C(N[C@@H](C)c1ccccc1)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C ZINC000100746793 185723835 /nfs/dbraw/zinc/72/38/35/185723835.db2.gz RVJFEMUBLKEROV-UKFDWGBHSA-N 0 0 269.388 3.856 50 30 biogenic CHEARN CCCCCCC[C@H]1CC(=O)Nc2c1c(=O)[nH]n2C(C)C ZINC000101710506 185755594 /nfs/dbraw/zinc/75/55/94/185755594.db2.gz YZQWINJYJMZMFX-LBPRGKRZSA-N 0 0 293.411 3.544 50 30 CHEARN C=CCSCC(=O)O[C@@H](CC(C)C)c1ccccn1 ZINC000089821046 179870618 /nfs/dbraw/zinc/87/06/18/179870618.db2.gz VGGWVJMEBQDTJP-AWEZNQCLSA-N 0 0 279.405 3.631 50 30 CHEARN Cc1nnc(CS[C@@H](C)c2ccc(C#N)cc2)n1C1CC1 ZINC000180787664 189275721 /nfs/dbraw/zinc/27/57/21/189275721.db2.gz FPDQLZLMVUGLTM-NSHDSACASA-N 0 0 298.415 3.788 50 30 CHEARN N#CCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000000037221 169513031 /nfs/dbraw/zinc/51/30/31/169513031.db2.gz KVAJJPXXNVXJNY-UHFFFAOYSA-N 0 0 270.719 3.658 50 30 CHEARN Cc1sc(NC(=O)CCc2ccccc2)c(C#N)c1C ZINC000000064753 169523773 /nfs/dbraw/zinc/52/37/73/169523773.db2.gz CYASRHKMEHOFTQ-UHFFFAOYSA-N 0 0 284.384 3.808 50 30 CHEARN O=C1c2ccccc2C(=O)C1=Cc1ccnc2ccccc12 ZINC000000076026 169527667 /nfs/dbraw/zinc/52/76/67/169527667.db2.gz MJXJAKSBLATDLQ-UHFFFAOYSA-N 0 0 285.302 3.697 50 30 CHEARN Cc1cccc(/N=C/c2cc(Br)ccc2O)n1 ZINC000000126805 169545410 /nfs/dbraw/zinc/54/54/10/169545410.db2.gz ZXINBANGDJRFHU-OVCLIPMQSA-N 0 0 291.148 3.609 50 30 CHEARN Cc1cc(C)nc(S/C=C/C(=O)c2ccc(F)cc2)n1 ZINC000000133875 169548825 /nfs/dbraw/zinc/54/88/25/169548825.db2.gz IIDUVXPAMLZRAI-BQYQJAHWSA-N 0 0 288.347 3.721 50 30 CHEARN COc1ccccc1Oc1cc(C#N)c2ccccc2n1 ZINC000000233192 169581701 /nfs/dbraw/zinc/58/17/01/169581701.db2.gz VMAQLAJBAUWZNS-UHFFFAOYSA-N 0 0 276.295 3.907 50 30 CHEARN COc1ccc(/C=C/C(=O)/C=C/c2ccccc2)cc1 ZINC000000228491 169581269 /nfs/dbraw/zinc/58/12/69/169581269.db2.gz KKIMSIOZBKPANE-MKICQXMISA-N 0 0 264.324 3.991 50 30 CHEARN O=C1C=C(NC2CCCC2)C[C@@H](c2ccccc2)C1 ZINC000000267172 169592253 /nfs/dbraw/zinc/59/22/53/169592253.db2.gz BZQNXHSOCBDSNX-CQSZACIVSA-N 0 0 255.361 3.549 50 30 CHEARN O=C(O/N=C/c1cccc(Cl)c1)c1cccc(F)c1F ZINC000000453794 169644852 /nfs/dbraw/zinc/64/48/52/169644852.db2.gz WLFUIJZBPRJRQL-QGMBQPNBSA-N 0 0 295.672 3.809 50 30 CHEARN C=C(C)COc1cc2oc(=O)cc(CC)c2cc1Cl ZINC000000458776 169646349 /nfs/dbraw/zinc/64/63/49/169646349.db2.gz KRMWXKCASAFNNK-UHFFFAOYSA-N 0 0 278.735 3.964 50 30 CHEARN COc1ccc([C@H](C#N)Nc2ccc(C)cc2)cc1 ZINC000000479554 169651907 /nfs/dbraw/zinc/65/19/07/169651907.db2.gz RTZULXZRSHQWHD-INIZCTEOSA-N 0 0 252.317 3.680 50 30 CHEARN CCn1c(/C=N/Cc2ccccc2)nc2ccccc21 ZINC000000509762 169659128 /nfs/dbraw/zinc/65/91/28/169659128.db2.gz WLOQOKXGLOYWSS-QGOAFFKASA-N 0 0 263.344 3.675 50 30 CHEARN Cc1cccc(/N=C/c2cc3ccc(C)cc3[nH]c2=O)c1 ZINC000000527639 169662451 /nfs/dbraw/zinc/66/24/51/169662451.db2.gz PGMWZZYPUPKQRQ-YBFXNURJSA-N 0 0 276.339 3.896 50 30 CHEARN Cc1cscc1C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000176586630 256858171 /nfs/dbraw/zinc/85/81/71/256858171.db2.gz HRGGPWVOOBWUCX-KRWDZBQOSA-N 0 0 298.411 3.701 50 30 CHEARN C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@H]4[C@H]3CC[C@@]21C ZINC000253498007 256892675 /nfs/dbraw/zinc/89/26/75/256892675.db2.gz ZXSWTMLNIIZPET-QKDSSNGWSA-N 0 0 288.431 3.879 50 30 CHEARN N#Cc1cccc(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000000615342 169675188 /nfs/dbraw/zinc/67/51/88/169675188.db2.gz ROZBDVIJWLHGAF-UHFFFAOYSA-N 0 0 271.707 3.856 50 30 CHEARN CC[C@@H]1CCc2[nH]c(=S)c(C#N)c(C(F)(F)F)c2C1 ZINC000000804195 169679365 /nfs/dbraw/zinc/67/93/65/169679365.db2.gz ZCTSQRJAZRMBPY-SSDOTTSWSA-N 0 0 286.322 3.776 50 30 CHEARN Cc1sc(NC(=O)c2c(F)cccc2F)c(C#N)c1C ZINC000001055371 169687843 /nfs/dbraw/zinc/68/78/43/169687843.db2.gz UGYFZOJEZAQQHF-UHFFFAOYSA-N 0 0 292.310 3.767 50 30 CHEARN C[C@@H](Nc1ccc2c(c1)NC(=O)CC2)c1cccc(C#N)c1 ZINC000179882269 533558314 /nfs/dbraw/zinc/55/83/14/533558314.db2.gz TUHAEBMSSDGPMP-GFCCVEGCSA-N 0 0 291.354 3.616 50 30 CHEARN Cc1ccc(C[C@H](C#N)Sc2ccc(Cl)nn2)cc1 ZINC000225442552 130811499 /nfs/dbraw/zinc/81/14/99/130811499.db2.gz MZFAQJHLMXJFKB-GFCCVEGCSA-N 0 0 289.791 3.665 50 30 CHEARN C=C(Br)Cc1ccc(Br)cc1 ZINC000002567446 169810234 /nfs/dbraw/zinc/81/02/34/169810234.db2.gz KLEDCYZVUQXGCH-UHFFFAOYSA-N 0 0 275.971 3.900 50 30 CHEARN Cc1ccc([N+](=O)[O-])cc1/N=C/c1ccccc1[N+](=O)[O-] ZINC000002848993 169837057 /nfs/dbraw/zinc/83/70/57/169837057.db2.gz OBTMPJCYQPVDHD-OQLLNIDSSA-N 0 0 285.259 3.562 50 30 CHEARN C=CCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)S1 ZINC000003003401 169849386 /nfs/dbraw/zinc/84/93/86/169849386.db2.gz PGRBYYYHYSCFRB-XFXZXTDPSA-N 0 0 291.397 3.585 50 30 CHEARN CO/N=C/c1cccnc1Sc1ccc(Cl)cc1 ZINC000003105146 169856290 /nfs/dbraw/zinc/85/62/90/169856290.db2.gz HRTZAGVBOMMFIG-CXUHLZMHSA-N 0 0 278.764 3.867 50 30 CHEARN CC(=O)C(=Cc1cc(C)n(-c2ccccc2)c1C)C(C)=O ZINC000003177183 169865378 /nfs/dbraw/zinc/86/53/78/169865378.db2.gz APAFUBNYPTZFPW-UHFFFAOYSA-N 0 0 281.355 3.656 50 30 CHEARN N#Cc1ccc(COC(=O)c2ccccc2Cl)cc1 ZINC000003241021 169871084 /nfs/dbraw/zinc/87/10/84/169871084.db2.gz HCQYPLUXEDISHD-UHFFFAOYSA-N 0 0 271.703 3.569 50 30 CHEARN C[C@@H](OC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000003447907 169888913 /nfs/dbraw/zinc/88/89/13/169888913.db2.gz QHAKDYNYIMICTQ-LLVKDONJSA-N 0 0 269.275 3.615 50 30 CHEARN O=C(/C=C/c1ccc(F)cc1)c1cc2ccccc2oc1=O ZINC000003911096 169924656 /nfs/dbraw/zinc/92/46/56/169924656.db2.gz XTSUXNLQVJSENM-JXMROGBWSA-N 0 0 294.281 3.828 50 30 CHEARN CC(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000004599226 169988127 /nfs/dbraw/zinc/98/81/27/169988127.db2.gz NSJJFIAQYONCHO-UHFFFAOYSA-N 0 0 276.405 3.873 50 30 CHEARN Cc1ccc(C(=O)C=CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004754440 170011842 /nfs/dbraw/zinc/01/18/42/170011842.db2.gz YQXYGMCGNSSFGJ-KHPPLWFESA-N 0 0 282.299 3.712 50 30 CHEARN Clc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000004785465 170016691 /nfs/dbraw/zinc/01/66/91/170016691.db2.gz YCWULWONUYQQCB-CXUHLZMHSA-N 0 0 287.775 3.818 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1 ZINC000004786739 170017968 /nfs/dbraw/zinc/01/79/68/170017968.db2.gz AOINTYAZKYYNGN-WCIBSUBMSA-N 0 0 256.276 3.730 50 30 CHEARN N#Cc1cccc(OCc2cccc(Br)c2)c1 ZINC000004828706 170025107 /nfs/dbraw/zinc/02/51/07/170025107.db2.gz GEHCKVNGYJCLFP-UHFFFAOYSA-N 0 0 288.144 3.900 50 30 CHEARN CCOc1ccc(C(=O)/C=C/c2ccccc2O)cc1 ZINC000004899043 170037780 /nfs/dbraw/zinc/03/77/80/170037780.db2.gz LTJWASRDBGNMLW-FMIVXFBMSA-N 0 0 268.312 3.687 50 30 CHEARN CCCCOC(=O)c1cccc2c1-c1ccccc1/C2=N\O ZINC000004899069 170037871 /nfs/dbraw/zinc/03/78/71/170037871.db2.gz CIBJSUFKVCUGGI-HTXNQAPBSA-N 0 0 295.338 3.851 50 30 CHEARN CCc1ccc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000004905802 170038887 /nfs/dbraw/zinc/03/88/87/170038887.db2.gz RBWBTBAIKIWBFK-UHFFFAOYSA-N 0 0 267.288 3.772 50 30 CHEARN C(=NNc1ncnc2sc3c(c21)CCCC3)c1ccco1 ZINC000004949044 170044332 /nfs/dbraw/zinc/04/43/32/170044332.db2.gz RZQBUENNABHIEU-QGMBQPNBSA-N 0 0 298.371 3.609 50 30 CHEARN O=C(/C=C\c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000004955932 170045191 /nfs/dbraw/zinc/04/51/91/170045191.db2.gz CZBVVWGIPLTRQL-XFSBKJJWSA-N 0 0 286.714 3.965 50 30 CHEARN COc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000004982190 170048561 /nfs/dbraw/zinc/04/85/61/170048561.db2.gz DKTHZRUFMGZRKA-UFWORHAWSA-N 0 0 295.264 3.555 50 30 CHEARN O=[N+]([O-])c1cccc(C=NNc2cccc3cccnc32)c1 ZINC000004991186 170050884 /nfs/dbraw/zinc/05/08/84/170050884.db2.gz PWHUXNCRRBWJAF-WOJGMQOQSA-N 0 0 292.298 3.589 50 30 CHEARN Cc1ccc(CNC=CC(=O)c2cccs2)cc1 ZINC000005042098 170059979 /nfs/dbraw/zinc/05/99/79/170059979.db2.gz SZZATUSPXHHXDQ-CMDGGOBGSA-N 0 0 257.358 3.543 50 30 CHEARN O=C(C1=C(Nc2ccc(O)cc2)CCCC1)C(F)(F)F ZINC000005068824 170063536 /nfs/dbraw/zinc/06/35/36/170063536.db2.gz LSBDAZQLKPVRSQ-UHFFFAOYSA-N 0 0 285.265 3.764 50 30 CHEARN Cc1ccc(C)c(/C=C/C(=O)c2ccc(O)cc2)c1 ZINC000005128125 170068893 /nfs/dbraw/zinc/06/88/93/170068893.db2.gz YVEPXIBUMIQDRR-JXMROGBWSA-N 0 0 252.313 3.905 50 30 CHEARN CC(=O)Nc1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC000005160695 170072246 /nfs/dbraw/zinc/07/22/46/170072246.db2.gz MJYUMWOKEJNYEM-FMIVXFBMSA-N 0 0 265.312 3.541 50 30 CHEARN C=C(C)n1c2ccccc2n(Cc2ccccc2C)c1=O ZINC000005235794 170078542 /nfs/dbraw/zinc/07/85/42/170078542.db2.gz GFPQLUUZCWNZOM-UHFFFAOYSA-N 0 0 278.355 3.650 50 30 CHEARN C[C@@H](C#N)OC(=O)c1c2ccccc2nc2c1CCCCC2 ZINC000005291340 170083597 /nfs/dbraw/zinc/08/35/97/170083597.db2.gz NZBHXCJVCNQOGL-LBPRGKRZSA-N 0 0 294.354 3.573 50 30 CHEARN CO/N=C/CC(=O)c1cnc(-c2ccc(Cl)cc2)s1 ZINC000005353947 170089113 /nfs/dbraw/zinc/08/91/13/170089113.db2.gz NVVARISGDYLRPD-FRKPEAEDSA-N 0 0 294.763 3.669 50 30 CHEARN N#Cc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000005425645 170098149 /nfs/dbraw/zinc/09/81/49/170098149.db2.gz JAHYXVWXAHJGAT-OAHLLOKOSA-N 0 0 294.379 3.525 50 30 CHEARN CC1(C)[C@H](C(=O)/C=C/c2ccccc2)C[C@H]1CC#N ZINC000005477876 170103207 /nfs/dbraw/zinc/10/32/07/170103207.db2.gz NJBLUXNBMCTNQT-PQAPVRDISA-N 0 0 253.345 3.845 50 30 CHEARN Cc1cccc(/N=C2\NC(=O)/C(=C/c3ccco3)S2)c1C ZINC000005752370 170137029 /nfs/dbraw/zinc/13/70/29/170137029.db2.gz IBOQMIVTMJGCQB-ZROIWOOFSA-N 0 0 298.367 3.788 50 30 CHEARN C=CCCCCCCCCc1nnc(SCC(C)=O)[nH]1 ZINC000005831384 170144997 /nfs/dbraw/zinc/14/49/97/170144997.db2.gz SVIOZVRXGFLXRE-UHFFFAOYSA-N 0 0 295.452 3.945 50 30 CHEARN C=CCSc1n[nH]c(-c2ccccc2OCCC)n1 ZINC000005899799 170152194 /nfs/dbraw/zinc/15/21/94/170152194.db2.gz BPZNUKUFTGBJGE-UHFFFAOYSA-N 0 0 275.377 3.539 50 30 CHEARN CCC(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000005916311 170155175 /nfs/dbraw/zinc/15/51/75/170155175.db2.gz OEDKLILUJVEOHA-UHFFFAOYSA-N 0 0 262.378 3.627 50 30 CHEARN Cc1ccc([C@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005942477 170159875 /nfs/dbraw/zinc/15/98/75/170159875.db2.gz JRUAAYSVGCPOKN-CYBMUJFWSA-N 0 0 284.355 3.669 50 30 CHEARN Cc1ccc([C@@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005942459 170159900 /nfs/dbraw/zinc/15/99/00/170159900.db2.gz JRUAAYSVGCPOKN-ZDUSSCGKSA-N 0 0 284.355 3.669 50 30 CHEARN COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O ZINC000005960288 170162895 /nfs/dbraw/zinc/16/28/95/170162895.db2.gz VWGPEPCJDXBXEM-NVNXTCNLSA-N 0 0 286.714 3.965 50 30 biogenic CHEARN CCc1cc(Cl)n2c3ccccc3nc2c1C#N ZINC000006024712 170169361 /nfs/dbraw/zinc/16/93/61/170169361.db2.gz CUUJDAUMFHOCNP-UHFFFAOYSA-N 0 0 255.708 3.575 50 30 CHEARN CCOC(=O)Nc1sc2c(c1C#N)CC[C@@H](CC)C2 ZINC000006119228 170177026 /nfs/dbraw/zinc/17/70/26/170177026.db2.gz GVGLAYVULFYXDL-SECBINFHSA-N 0 0 278.377 3.703 50 30 CHEARN N#C[C@@]1(c2nc3ccccc3[nH]2)C[C@@H]1c1cccs1 ZINC000006188405 170181639 /nfs/dbraw/zinc/18/16/39/170181639.db2.gz AHDAPILDWDOCPV-BMIGLBTASA-N 0 0 265.341 3.573 50 30 CHEARN CNc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000006331769 170192130 /nfs/dbraw/zinc/19/21/30/170192130.db2.gz YZTAZPXNFYETGC-UXBLZVDNSA-N 0 0 296.326 3.841 50 30 CHEARN CCOc1ccc(/C=C/C(=O)c2cn(CC)nc2C)cc1 ZINC000006490233 170206115 /nfs/dbraw/zinc/20/61/15/170206115.db2.gz MNCPVRYDHNSBKQ-DHZHZOJOSA-N 0 0 284.359 3.506 50 30 CHEARN COc1ccccc1NC(C)=CC(=O)c1ccccc1 ZINC000006492612 170206802 /nfs/dbraw/zinc/20/68/02/170206802.db2.gz QPEJHLFJQICRNS-OUKQBFOZSA-N 0 0 267.328 3.894 50 30 CHEARN C#CC(CC)(CC)NC(=O)c1cccc(C(F)(F)F)c1 ZINC000006639871 170221395 /nfs/dbraw/zinc/22/13/95/170221395.db2.gz LOXAQOKOJGDMAX-UHFFFAOYSA-N 0 0 283.293 3.627 50 30 CHEARN Cc1nc(SCc2ccccc2C#N)nc2c1CCCC2 ZINC000006701345 170229576 /nfs/dbraw/zinc/22/95/76/170229576.db2.gz STAOVPWAWOHXIQ-UHFFFAOYSA-N 0 0 295.411 3.828 50 30 CHEARN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C#N ZINC000006703769 170230540 /nfs/dbraw/zinc/23/05/40/170230540.db2.gz CCJIRIJFHJCEKS-MRXNPFEDSA-N 0 0 294.354 3.663 50 30 CHEARN CCCOc1ccccc1C(=O)Nc1cccc(C#N)c1 ZINC000006730541 170235289 /nfs/dbraw/zinc/23/52/89/170235289.db2.gz FAGLCRHJIWNFJA-UHFFFAOYSA-N 0 0 280.327 3.599 50 30 CHEARN CC(C)Oc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000006746129 170238882 /nfs/dbraw/zinc/23/88/82/170238882.db2.gz LORCISFVZYLKGX-UHFFFAOYSA-N 0 0 294.354 3.792 50 30 CHEARN C=CCc1ccccc1OCc1nc2ccccc2n1C ZINC000006753151 170241026 /nfs/dbraw/zinc/24/10/26/170241026.db2.gz FAVUKJYFFINJFI-UHFFFAOYSA-N 0 0 278.355 3.881 50 30 CHEARN O=C(/C=C\c1ccoc1)c1ccc(OC(F)F)cc1 ZINC000006828997 170247476 /nfs/dbraw/zinc/24/74/76/170247476.db2.gz RQFQSEUMPBIDTC-BHQIHCQQSA-N 0 0 264.227 3.777 50 30 CHEARN N#Cc1ccccc1COC(=O)c1ccc(Cl)cc1 ZINC000007004956 170261970 /nfs/dbraw/zinc/26/19/70/170261970.db2.gz JGYJKGCGEDJTNO-UHFFFAOYSA-N 0 0 271.703 3.569 50 30 CHEARN N#Cc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1 ZINC000007155734 170269441 /nfs/dbraw/zinc/26/94/41/170269441.db2.gz WJJRUOYCUWUNDZ-VGOFMYFVSA-N 0 0 280.714 3.704 50 30 CHEARN COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccccc1 ZINC000007717825 170298892 /nfs/dbraw/zinc/29/88/92/170298892.db2.gz SSCWRHWOQOBLJF-MDZDMXLPSA-N 0 0 298.338 3.609 50 30 CHEARN N#Cc1ccc(/C=C/C(=O)c2ccc3c(c2)CCC3)cc1 ZINC000007717404 170298968 /nfs/dbraw/zinc/29/89/68/170298968.db2.gz CPTLLCHFVDHAHU-DHZHZOJOSA-N 0 0 273.335 3.943 50 30 CHEARN N#Cc1ccc(/C=C/C(=O)c2c(F)cccc2F)cc1 ZINC000007738832 170299622 /nfs/dbraw/zinc/29/96/22/170299622.db2.gz XSIGJOCQLHWJIJ-CMDGGOBGSA-N 0 0 269.250 3.733 50 30 CHEARN O=C(C=CNc1ccc(F)c(Cl)c1)c1ccco1 ZINC000007991393 170312528 /nfs/dbraw/zinc/31/25/28/170312528.db2.gz GESLARNEPMRIAU-AATRIKPKSA-N 0 0 265.671 3.881 50 30 CHEARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(F)cc1 ZINC000008050835 170316479 /nfs/dbraw/zinc/31/64/79/170316479.db2.gz XJPNYVOCWODNNX-SNVBAGLBSA-N 0 0 285.278 3.779 50 30 CHEARN O=C1c2ccccc2C/C1=C\c1cc(O)c(O)c(Cl)c1 ZINC000008054077 170316525 /nfs/dbraw/zinc/31/65/25/170316525.db2.gz WTEHAPNRHXQNDR-VZUCSPMQSA-N 0 0 286.714 3.574 50 30 CHEARN N#Cc1ccccc1Oc1ncnc2sc3c(c21)CCC3 ZINC000008177773 170322656 /nfs/dbraw/zinc/32/26/56/170322656.db2.gz NVKXUTHEGVLHFP-UHFFFAOYSA-N 0 0 293.351 3.844 50 30 CHEARN O=C1C=C(Nc2ccc(O)cc2)C[C@@H](c2ccccc2)C1 ZINC000008436325 170336550 /nfs/dbraw/zinc/33/65/50/170336550.db2.gz WWFNYGQCDXPGQR-CQSZACIVSA-N 0 0 279.339 3.835 50 30 CHEARN CC[C@H]1CCCCN1C(=S)NC1CCCCC1 ZINC000008691246 170345974 /nfs/dbraw/zinc/34/59/74/170345974.db2.gz JMCGQYHZSJTRRI-ZDUSSCGKSA-N 0 0 254.443 3.869 50 30 CHEARN Cn1c2ccccc2nc1C(=O)/C=C/c1ccc(Cl)o1 ZINC000008778679 170355677 /nfs/dbraw/zinc/35/56/77/170355677.db2.gz ARHOPXKCHGVVJW-SOFGYWHQSA-N 0 0 286.718 3.716 50 30 CHEARN O=C(/C=C/c1cccc(O)c1)c1nc2ccccc2s1 ZINC000012795028 170511488 /nfs/dbraw/zinc/51/14/88/170511488.db2.gz ZTQFKKCJJJKPPK-CMDGGOBGSA-N 0 0 281.336 3.898 50 30 CHEARN CC(=O)Oc1cccc(/C=C2\Sc3ccccc3C2=O)c1 ZINC000013110433 170531593 /nfs/dbraw/zinc/53/15/93/170531593.db2.gz QAWJHFJCZCUFOT-YBEGLDIGSA-N 0 0 296.347 3.941 50 30 CHEARN Cc1ccc(NC(=S)N/N=C2/CCC[C@@H](C)C2)cc1 ZINC000016134170 170688373 /nfs/dbraw/zinc/68/83/73/170688373.db2.gz FGHBFLJBDNXLIJ-OFWFEXPASA-N 0 0 275.421 3.848 50 30 CHEARN COc1ccc2c(c1)ncc(C#N)c2NCc1ccccc1 ZINC000016841760 170713314 /nfs/dbraw/zinc/71/33/14/170713314.db2.gz YBNCCWDZACAHCZ-UHFFFAOYSA-N 0 0 289.338 3.727 50 30 CHEARN CN(Cc1ccccc1)[C@@H](C#N)c1c[nH]c2ccccc21 ZINC000019586511 170829001 /nfs/dbraw/zinc/82/90/01/170829001.db2.gz PGHGKVHLHIBJIH-SFHVURJKSA-N 0 0 275.355 3.865 50 30 CHEARN Cc1ccc(-c2cc(-c3ccc(F)cc3)c(C#N)c(N)n2)o1 ZINC000019847952 170897047 /nfs/dbraw/zinc/89/70/47/170897047.db2.gz VUXMBFOATLUHLZ-UHFFFAOYSA-N 0 0 293.301 3.910 50 30 CHEARN N#Cc1c(N)nc2c(c1-c1ccccc1F)CCCCC2 ZINC000019857336 170898585 /nfs/dbraw/zinc/89/85/85/170898585.db2.gz CMDNBXIXILRXAZ-UHFFFAOYSA-N 0 0 281.334 3.610 50 30 CHEARN C=CCN(CC=C)c1ncc(C(F)(F)F)cc1Cl ZINC000020405645 171182042 /nfs/dbraw/zinc/18/20/42/171182042.db2.gz DLDAMGPZOZEWBN-UHFFFAOYSA-N 0 0 276.689 3.932 50 30 CHEARN N#C[C@H](c1c(Cl)cccc1Cl)N1CCSCC1 ZINC000020421168 171186807 /nfs/dbraw/zinc/18/68/07/171186807.db2.gz OUUJEUIBNSAYIK-LLVKDONJSA-N 0 0 287.215 3.607 50 30 CHEARN Cc1noc2c1[C@H](CC(C)C)C1=C(CCCC1=O)N2 ZINC000020730592 171270706 /nfs/dbraw/zinc/27/07/06/171270706.db2.gz GJJGIRZRXCAYPA-JTQLQIEISA-N 0 0 260.337 3.545 50 30 CHEARN O=C(NCC#Cc1ccccc1)c1cccc2ccccc21 ZINC000022416906 171387761 /nfs/dbraw/zinc/38/77/61/171387761.db2.gz JZGOJQMSOYVFOJ-UHFFFAOYSA-N 0 0 285.346 3.621 50 30 CHEARN CCOc1ccc(C(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000027517976 171518290 /nfs/dbraw/zinc/51/82/90/171518290.db2.gz TVLSWWNGJQOGJQ-AWNIVKPZSA-N 0 0 282.339 3.990 50 30 CHEARN O=C(/C=C1\C(=O)Nc2ccc(Cl)cc21)c1ccsc1 ZINC000032646593 171741622 /nfs/dbraw/zinc/74/16/22/171741622.db2.gz PKLGZTKEJNIOFR-WDZFZDKYSA-N 0 0 289.743 3.620 50 30 CHEARN CC(C)[C@H](Nc1ncccc1C#N)c1ccc(F)cc1 ZINC000032907695 171760522 /nfs/dbraw/zinc/76/05/22/171760522.db2.gz ISBMXGJORQLPGJ-HNNXBMFYSA-N 0 0 269.323 3.902 50 30 CHEARN O=[N+]([O-])c1ccc(C=NNc2ccccc2Cl)cc1 ZINC000033600704 171814547 /nfs/dbraw/zinc/81/45/47/171814547.db2.gz GHDQBPNQHKFIQG-DHDCSXOGSA-N 0 0 275.695 3.694 50 30 CHEARN N#Cc1cccc(C(=O)N2CCC[C@H]2c2ccsc2)c1 ZINC000036397942 172634993 /nfs/dbraw/zinc/63/49/93/172634993.db2.gz GJUKZQRHGHDIBD-HNNXBMFYSA-N 0 0 282.368 3.597 50 30 CHEARN C=C(C)Cn1c(C(=O)NCC2CC2)cc2sc(C)cc21 ZINC000037543001 173263867 /nfs/dbraw/zinc/26/38/67/173263867.db2.gz LYTGPAUJSXCYPS-UHFFFAOYSA-N 0 0 288.416 3.727 50 30 CHEARN Cc1cccc(NC(=O)CSc2ccc(C#N)cc2)c1C ZINC000040150608 174194566 /nfs/dbraw/zinc/19/45/66/174194566.db2.gz SJBIDHQQZHAREG-UHFFFAOYSA-N 0 0 296.395 3.906 50 30 CHEARN N#Cc1ccc(CSc2nncc3ccccc32)cc1 ZINC000040489912 174291501 /nfs/dbraw/zinc/29/15/01/174291501.db2.gz CXAKDIJVVXMQHS-UHFFFAOYSA-N 0 0 277.352 3.794 50 30 CHEARN C=CCNC(=O)Nc1cccc(C2SCCCS2)c1 ZINC000043834840 175115029 /nfs/dbraw/zinc/11/50/29/175115029.db2.gz UUDYRNFVUFFJDJ-UHFFFAOYSA-N 0 0 294.445 3.863 50 30 CHEARN C(#CCO[C@H]1CCCCO1)CCCc1ccccc1 ZINC000044123433 175143321 /nfs/dbraw/zinc/14/33/21/175143321.db2.gz TULMLJVKHLXRDR-QGZVFWFLSA-N 0 0 258.361 3.556 50 30 CHEARN N#Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1 ZINC000044597197 175215005 /nfs/dbraw/zinc/21/50/05/175215005.db2.gz PBZKTIMFENJXTR-UHFFFAOYSA-N 0 0 296.757 3.882 50 30 CHEARN C=C(Br)CCCc1cccc(OC)c1 ZINC000045028329 175293495 /nfs/dbraw/zinc/29/34/95/175293495.db2.gz GLANSEBPJHTHPA-UHFFFAOYSA-N 0 0 255.155 3.927 50 30 CHEARN N#Cc1cccnc1NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000071828004 176272294 /nfs/dbraw/zinc/27/22/94/176272294.db2.gz FKNYSTKPIDZUTF-IRXDYDNUSA-N 0 0 293.370 3.533 50 30 CHEARN Cc1ccccc1-c1nc(C#N)c(N2CCC[C@@H](C)C2)o1 ZINC000072238477 176347125 /nfs/dbraw/zinc/34/71/25/176347125.db2.gz XPBQVOVQGGHHAH-GFCCVEGCSA-N 0 0 281.359 3.758 50 30 CHEARN C=CCN(CC=C)Cc1nc2ccccc2n1CCC ZINC000076555467 177037771 /nfs/dbraw/zinc/03/77/71/177037771.db2.gz KFGZLAPSZZORGY-UHFFFAOYSA-N 0 0 269.392 3.620 50 30 CHEARN N#Cc1ccccc1[C@H](C#N)c1ccc(Cl)cc1 ZINC000003133305 260011178 /nfs/dbraw/zinc/01/11/78/260011178.db2.gz NLYDHCDZKHWMOB-OAHLLOKOSA-N 0 0 252.704 3.867 50 30 CHEARN Cc1nc(C#N)c(NCCc2cccc3ccccc32)o1 ZINC000526052235 260977379 /nfs/dbraw/zinc/97/73/79/260977379.db2.gz HUDARBOFRWQBKN-UHFFFAOYSA-N 0 0 277.327 3.663 50 30 CHEARN COc1ccccc1/C=C\C(=O)/C=C\c1ccccc1OC ZINC000004974444 261063846 /nfs/dbraw/zinc/06/38/46/261063846.db2.gz RCZMPCUUTSDNAJ-XSYHWHKQSA-N 0 0 294.350 4.000 50 30 CHEARN CCOC(=O)c1ccc(N=Cc2cccs2)cc1 ZINC000254399447 328757655 /nfs/dbraw/zinc/75/76/55/328757655.db2.gz UUSZEESQASLVQW-UHFFFAOYSA-N 0 0 259.330 3.675 50 30 CHEARN Cn1cc(-c2ccc(/C=C\c3ccncc3C#N)s2)cn1 ZINC000570832531 327624735 /nfs/dbraw/zinc/62/47/35/327624735.db2.gz BVBYOIYJUPLPSR-IHWYPQMZSA-N 0 0 292.367 3.586 50 30 CHEARN N#C[C@H](NC(=O)c1cccc(Cl)c1F)C1CCCCC1 ZINC000119101642 327863079 /nfs/dbraw/zinc/86/30/79/327863079.db2.gz SDBSBNVGZSDYQI-ZDUSSCGKSA-N 0 0 294.757 3.681 50 30 CHEARN N#C[C@H](c1ccc(F)cc1)c1cccc(C(F)(F)F)n1 ZINC000095872308 327965350 /nfs/dbraw/zinc/96/53/50/327965350.db2.gz DXQNDKQUHKVTTC-LLVKDONJSA-N 0 0 280.224 3.895 50 30 CHEARN CCCCOc1ccc(C)cc1-c1nccnc1C#N ZINC000534576801 328310134 /nfs/dbraw/zinc/31/01/34/328310134.db2.gz OHJWTAKOYYPNGN-UHFFFAOYSA-N 0 0 267.332 3.503 50 30 CHEARN CNC(=O)c1ccc(-c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000534578992 328310943 /nfs/dbraw/zinc/31/09/43/328310943.db2.gz GEHASTOZOCDBBO-UHFFFAOYSA-N 0 0 278.355 3.514 50 30 CHEARN N#Cc1cnccc1/C=C/c1csc(-c2ccccn2)n1 ZINC000390834378 328973692 /nfs/dbraw/zinc/97/36/92/328973692.db2.gz XLQWWYXEXFDCAC-SNAWJCMRSA-N 0 0 290.351 3.642 50 30 CHEARN Cc1cccc(NC(=S)N=NC(C)c2cccc(N)c2)c1 ZINC000000027902 518449346 /nfs/dbraw/zinc/44/93/46/518449346.db2.gz OBRZQRFSJOTHEY-UNOMPAQXSA-N 0 0 298.415 3.699 50 30 CHEARN C=CCNC(=O)c1c(C)oc2ccc(OCCCC)cc21 ZINC000046086031 518930911 /nfs/dbraw/zinc/93/09/11/518930911.db2.gz WLCSPFNGDHZCKX-UHFFFAOYSA-N 0 0 287.359 3.836 50 30 CHEARN COc1ccc(C(=O)C=CNc2cccc([C@H](C)O)c2)cc1 ZINC000000466720 523538469 /nfs/dbraw/zinc/53/84/69/523538469.db2.gz SAHALXKHFAVLJB-NHAQELONSA-N 0 0 297.354 3.557 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccccc2OC)c(OC)c1 ZINC000004992035 523541242 /nfs/dbraw/zinc/54/12/42/523541242.db2.gz OESXCRLMOFOGIN-DHZHZOJOSA-N 0 0 298.338 3.609 50 30 CHEARN N#CCc1ccc(NC(=O)CSCc2ccccc2)cc1 ZINC000000451992 534721871 /nfs/dbraw/zinc/72/18/71/534721871.db2.gz HQBOOOHVOKLPQV-UHFFFAOYSA-N 0 0 296.395 3.625 50 30 CHEARN CN(C(=O)C1(C#N)CCCC1)c1ccc(Cl)cc1F ZINC000253430845 523784091 /nfs/dbraw/zinc/78/40/91/523784091.db2.gz XUUROUGWGLVXQQ-UHFFFAOYSA-N 0 0 280.730 3.526 50 30 CHEARN Cc1cccc(NC(=O)[C@H](C#N)CCc2ccccc2)c1 ZINC000241774183 524652003 /nfs/dbraw/zinc/65/20/03/524652003.db2.gz RNTKHCUXKUQGHL-INIZCTEOSA-N 0 0 278.355 3.706 50 30 CHEARN Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CCCC1 ZINC000330032511 524691247 /nfs/dbraw/zinc/69/12/47/524691247.db2.gz OSKLYTKYPJFGDB-UHFFFAOYSA-N 0 0 295.386 3.622 50 30 CHEARN COc1cccc(C(=O)/C=C/c2ccccc2OC)c1 ZINC000005073178 525778980 /nfs/dbraw/zinc/77/89/80/525778980.db2.gz DQJBLWSYKKCCLS-ZHACJKMWSA-N 0 0 268.312 3.600 50 30 CHEARN Cc1c(NCc2ccc(C#N)cc2)cnn1C1CCCC1 ZINC000195456917 525869515 /nfs/dbraw/zinc/86/95/15/525869515.db2.gz YPJPXOQXZSXDBK-UHFFFAOYSA-N 0 0 280.375 3.790 50 30 CHEARN N#CCc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1 ZINC000052944691 526482575 /nfs/dbraw/zinc/48/25/75/526482575.db2.gz SHKDAMQHUCISTO-UHFFFAOYSA-N 0 0 284.746 3.587 50 30 CHEARN N#Cc1ccccc1OCc1csc(-c2ccccn2)n1 ZINC000012262432 526747111 /nfs/dbraw/zinc/74/71/11/526747111.db2.gz BUEYKQZTKLSRNA-UHFFFAOYSA-N 0 0 293.351 3.656 50 30 CHEARN C=CCc1cccc(C(C)C)c1NS(=O)(=O)CCC ZINC000191568326 527261092 /nfs/dbraw/zinc/26/10/92/527261092.db2.gz QTPMAPWTEZMPFD-UHFFFAOYSA-N 0 0 281.421 3.690 50 30 CHEARN CCCCCCCSc1nnc(-c2ccccc2)n1N ZINC000097993310 528137177 /nfs/dbraw/zinc/13/71/77/528137177.db2.gz SIVCENCOCXUBHW-UHFFFAOYSA-N 0 0 290.436 3.721 50 30 CHEARN CCOc1cc(/C=C\C(=O)c2cccc(F)c2)ccc1O ZINC000096766335 528199855 /nfs/dbraw/zinc/19/98/55/528199855.db2.gz RNWJFOMPRWTESU-VURMDHGXSA-N 0 0 286.302 3.826 50 30 CHEARN CCOc1cc(/C=C\C(=O)c2ccc(OC)cc2)ccc1O ZINC000096766616 528200084 /nfs/dbraw/zinc/20/00/84/528200084.db2.gz OVWVOARPOHZGTN-WMZJFQQLSA-N 0 0 298.338 3.696 50 30 CHEARN CC(C)[C@@](C)(C#N)NC(=O)c1cccc(Cl)c1Cl ZINC000032735982 567867892 /nfs/dbraw/zinc/86/78/92/567867892.db2.gz HOXHEMGLCOECKP-CYBMUJFWSA-N 0 0 285.174 3.661 50 30 CHEARN N#Cc1nc(-c2ccccc2)c(-c2ccccc2)nc1C#N ZINC000000110831 560177284 /nfs/dbraw/zinc/17/72/84/560177284.db2.gz KHQNNRFYGOENPJ-UHFFFAOYSA-N 0 0 282.306 3.554 50 30 in-vitro CHEARN N#Cc1ccccc1OCc1nc2ccccc2n1C(F)F ZINC000025462679 566837859 /nfs/dbraw/zinc/83/78/59/566837859.db2.gz QBIKAZVAUSKNBK-UHFFFAOYSA-N 0 0 299.280 3.882 50 30 CHEARN N#Cc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1 ZINC000002465658 566857657 /nfs/dbraw/zinc/85/76/57/566857657.db2.gz KXBRULSVTSWXJR-UHFFFAOYSA-N 0 0 295.323 3.527 50 30 CHEARN Cc1ccc(Sc2nc3sccn3c2C#N)cc1 ZINC000001400671 566871906 /nfs/dbraw/zinc/87/19/06/566871906.db2.gz FLXFIYQJNGTOQC-UHFFFAOYSA-N 0 0 271.370 3.727 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(C)cc2)c(OC)c1 ZINC000004582556 566872482 /nfs/dbraw/zinc/87/24/82/566872482.db2.gz YRNWOYJYVPHYFY-LUAWRHEFSA-N 0 0 282.339 3.908 50 30 CHEARN C#CCOC(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC000058824702 566875904 /nfs/dbraw/zinc/87/59/04/566875904.db2.gz VEXFYHYZRPVJLR-UHFFFAOYSA-N 0 0 270.328 3.584 50 30 CHEARN N#Cc1ccc(C(F)(F)F)nc1-c1ccccc1F ZINC000047203958 566890243 /nfs/dbraw/zinc/89/02/43/566890243.db2.gz TWTPCIXTVYWEBB-UHFFFAOYSA-N 0 0 266.197 3.778 50 30 CHEARN N#C[C@](CCc1ccccc1)(c1ccccc1)c1cnccn1 ZINC000015769107 566895166 /nfs/dbraw/zinc/89/51/66/566895166.db2.gz WORRCQSKDYSZCX-HXUWFJFHSA-N 0 0 299.377 3.919 50 30 CHEARN C=C(C)Cn1c2ccccc2nc1[C@@H](C)NC(=O)C(C)(C)C ZINC000016902423 566896581 /nfs/dbraw/zinc/89/65/81/566896581.db2.gz MHWCGYOOSSFIHE-CYBMUJFWSA-N 0 0 299.418 3.836 50 30 CHEARN CCN(CC#N)c1ccc(/C=N/c2ccccc2)cc1 ZINC000002163472 566911244 /nfs/dbraw/zinc/91/12/44/566911244.db2.gz XZVJGLMPVXDCJK-XMHGGMMESA-N 0 0 263.344 3.787 50 30 CHEARN COC(=O)[C@@]12CCC(=O)C=C1C[C@]1(C)CCCC(C)=C1C2 ZINC000071786180 566917692 /nfs/dbraw/zinc/91/76/92/566917692.db2.gz NITOIPAZWOELSE-ZWKOTPCHSA-N 0 0 288.387 3.736 50 30 CHEARN CCCCCCCCNc1ccc([N+](=O)[O-])cn1 ZINC000101018716 566919103 /nfs/dbraw/zinc/91/91/03/566919103.db2.gz UKCYFAAPWZKQQT-UHFFFAOYSA-N 0 0 251.330 3.762 50 30 CHEARN C#Cc1cccc(NC(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000019807288 566925927 /nfs/dbraw/zinc/92/59/27/566925927.db2.gz XXTVUOJJIJFUKF-UHFFFAOYSA-N 0 0 291.137 3.622 50 30 CHEARN C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C(CCC(=O)C4)[C@@H]3CC[C@]21C ZINC000016968675 566941966 /nfs/dbraw/zinc/94/19/66/566941966.db2.gz ICTXHFFSOAJUMG-OMZCGLGVSA-N 0 0 298.426 3.637 50 30 CHEARN N#Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1cccc(O)c1)N2 ZINC000103907616 566958729 /nfs/dbraw/zinc/95/87/29/566958729.db2.gz UJAWKDAXAYUVLQ-FHLIZLRMSA-N 0 0 292.338 3.508 50 30 CHEARN CN1c2ccccc2C(C)(C)/C1=C/C=C1C=CC(=O)C=C1 ZINC000207818346 566973550 /nfs/dbraw/zinc/97/35/50/566973550.db2.gz JDSFIEKGBFHVTD-AQTBWJFISA-N 0 0 277.367 3.919 50 30 CHEARN N#Cc1cnc2ccccc2c1Nc1ccc2c(c1)OCO2 ZINC000064438611 566977176 /nfs/dbraw/zinc/97/71/76/566977176.db2.gz ZSQIXRYOOGWLAW-UHFFFAOYSA-N 0 0 289.294 3.579 50 30 CHEARN COc1cc(C=NO)ccc1OCc1ccccc1Cl ZINC000250379602 567020646 /nfs/dbraw/zinc/02/06/46/567020646.db2.gz KRTDFHGFQAZYDV-UHFFFAOYSA-N 0 0 291.734 3.736 50 30 CHEARN C=C(Cl)CNCc1cn(-c2ccccc2)nc1C(C)C ZINC000076017872 567027452 /nfs/dbraw/zinc/02/74/52/567027452.db2.gz VDAXFRFFHFECHF-UHFFFAOYSA-N 0 0 289.810 3.838 50 30 CHEARN CCOc1ccc(C=Nc2ccc(C)cc2O)cc1 ZINC000252460097 567051917 /nfs/dbraw/zinc/05/19/17/567051917.db2.gz BOUCTFGOPKWABW-UHFFFAOYSA-N 0 0 255.317 3.850 50 30 CHEARN Cc1ccc(NC(=S)NN=Cc2ccccc2C)cc1 ZINC000252460449 567052204 /nfs/dbraw/zinc/05/22/04/567052204.db2.gz FLYCNFKRXZMVJA-UHFFFAOYSA-N 0 0 283.400 3.624 50 30 CHEARN CSc1ccc(CN=Nc2nncc3ccccc32)cc1 ZINC000252610006 567066039 /nfs/dbraw/zinc/06/60/39/567066039.db2.gz HXNOSPRWRIQFFT-UHFFFAOYSA-N 0 0 294.383 3.798 50 30 CHEARN N#CC(=NNc1ccccc1)C(=O)c1ccccc1Cl ZINC000252620126 567067187 /nfs/dbraw/zinc/06/71/87/567067187.db2.gz LXTDBRZBJRMSSG-UHFFFAOYSA-N 0 0 283.718 3.514 50 30 CHEARN COc1ccc(N=NC2c3ccccc3N=C2C)cc1 ZINC000252620962 567067703 /nfs/dbraw/zinc/06/77/03/567067703.db2.gz MPXRUBDUAMECCD-UHFFFAOYSA-N 0 0 265.316 3.617 50 30 CHEARN C=CCc1cccc(C=Nc2ccc(OC)cc2)c1O ZINC000252622990 567068095 /nfs/dbraw/zinc/06/80/95/567068095.db2.gz OHKCULRKAAGLNU-UHFFFAOYSA-N 0 0 267.328 3.880 50 30 CHEARN CC(C)N(N=Cc1c(O)ccc2ccccc21)C(C)C ZINC000252616900 567068201 /nfs/dbraw/zinc/06/82/01/567068201.db2.gz KIBMXQPQLKGDKO-UHFFFAOYSA-N 0 0 270.376 3.998 50 30 CHEARN C=CCc1cccc(C=Nc2nc3ccccc3n2C)c1O ZINC000252620894 567068484 /nfs/dbraw/zinc/06/84/84/567068484.db2.gz MOPLRSKFMKYUKE-UHFFFAOYSA-N 0 0 291.354 3.758 50 30 CHEARN CC(=O)C(Cl)=NNc1ccc(Cl)cc1Cl ZINC000252628384 567069964 /nfs/dbraw/zinc/06/99/64/567069964.db2.gz SOTSGIPEYHCULQ-UHFFFAOYSA-N 0 0 265.527 3.547 50 30 CHEARN Cc1ccccc1NN=C(C#N)C(=O)c1ccc(Cl)cc1 ZINC000252628115 567070114 /nfs/dbraw/zinc/07/01/14/567070114.db2.gz SIIVULOAERSHPG-UHFFFAOYSA-N 0 0 297.745 3.823 50 30 CHEARN CC(=NOC(=O)c1ccc(Cl)cc1)c1cccs1 ZINC000252627288 567070152 /nfs/dbraw/zinc/07/01/52/567070152.db2.gz RQTQTPSWASTKDP-UHFFFAOYSA-N 0 0 279.748 3.983 50 30 CHEARN N#Cc1ccccc1NC(=O)CCCc1ccccc1 ZINC000000458084 567104093 /nfs/dbraw/zinc/10/40/93/567104093.db2.gz KSQSSKUAGJDTPE-UHFFFAOYSA-N 0 0 264.328 3.520 50 30 CHEARN CCC(=O)Nc1ccccc1C(=O)NCC[C@@H]1CCCO1 ZINC000328594190 567118589 /nfs/dbraw/zinc/11/85/89/567118589.db2.gz XWNGVVWTYGTQHT-LBPRGKRZSA-N 0 0 290.363 3.558 50 30 CHEARN CC(C)(C#N)NC(=O)CCCc1csc2ccccc12 ZINC000095410137 567129720 /nfs/dbraw/zinc/12/97/20/567129720.db2.gz ZVOSVZBUGLAZLU-UHFFFAOYSA-N 0 0 286.400 3.642 50 30 CHEARN Cc1ccncc1C1=CCN(Cc2ccccc2C#N)CC1 ZINC000095462495 567134444 /nfs/dbraw/zinc/13/44/44/567134444.db2.gz DJYRWKBXBOPVLY-UHFFFAOYSA-N 0 0 289.382 3.551 50 30 CHEARN N#Cc1cnccc1Nc1cc(Cl)c(N)c(Cl)c1 ZINC000225612971 567145731 /nfs/dbraw/zinc/14/57/31/567145731.db2.gz CTNXKUWLUYQVNE-UHFFFAOYSA-N 0 0 279.130 3.586 50 30 CHEARN COc1cc(C#N)ccc1OCc1cccc(Cl)c1 ZINC000002873668 567152555 /nfs/dbraw/zinc/15/25/55/567152555.db2.gz SACZKGAWWWTPKG-UHFFFAOYSA-N 0 0 273.719 3.799 50 30 CHEARN CC(C)c1nc(C#N)c(NCc2ccc(F)c(F)c2)o1 ZINC000227155012 567156382 /nfs/dbraw/zinc/15/63/82/567156382.db2.gz XSNAQPZBPPFLEC-UHFFFAOYSA-N 0 0 277.274 3.560 50 30 CHEARN Oc1ccccc1/C=N/CCc1ccc(Cl)cc1 ZINC000057411826 567156575 /nfs/dbraw/zinc/15/65/75/567156575.db2.gz NHZWJJBQEUGJJS-GZTJUZNOSA-N 0 0 259.736 3.707 50 30 CHEARN COc1ccc(/N=C/c2coc3ccccc3c2=O)cc1 ZINC000226759746 567156650 /nfs/dbraw/zinc/15/66/50/567156650.db2.gz FTULJKJFEHPOQR-VCHYOVAHSA-N 0 0 279.295 3.552 50 30 CHEARN CSc1ccc(NC(=O)c2ccccc2)cc1C#N ZINC000003104722 567159832 /nfs/dbraw/zinc/15/98/32/567159832.db2.gz JEPBCIPFYZTCEU-UHFFFAOYSA-N 0 0 268.341 3.532 50 30 CHEARN N#Cc1cccc(C(=O)Nc2nc3ccc(F)cc3s2)c1 ZINC000003518842 567176558 /nfs/dbraw/zinc/17/65/58/567176558.db2.gz WMJFDJQMWFRKCZ-UHFFFAOYSA-N 0 0 297.314 3.559 50 30 CHEARN COc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000004036765 567185450 /nfs/dbraw/zinc/18/54/50/567185450.db2.gz UYABVUDGGULXKZ-MHWRWJLKSA-N 0 0 283.356 3.751 50 30 CHEARN Cc1ccc(O)c(C(=O)/C=C/c2ccc(F)cc2)c1 ZINC000004279035 567192704 /nfs/dbraw/zinc/19/27/04/567192704.db2.gz UTFSYLSDUACJQM-WEVVVXLNSA-N 0 0 256.276 3.736 50 30 CHEARN CC(C)=NOC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000084509 567817844 /nfs/dbraw/zinc/81/78/44/567817844.db2.gz FLCIETSVEMHMGX-UHFFFAOYSA-N 0 0 253.301 3.906 50 30 CHEARN C/C(=N\NC(=S)Nc1ccc(C)cc1)c1ccccc1 ZINC000000096228 567818022 /nfs/dbraw/zinc/81/80/22/567818022.db2.gz XWTUGDXMCIPNKR-QGOAFFKASA-N 0 0 283.400 3.706 50 30 CHEARN N#CC1(c2ccc(Cl)c(Cl)c2)CCC(=O)CC1 ZINC000000156413 567820760 /nfs/dbraw/zinc/82/07/60/567820760.db2.gz YDVFTCZQEZJUIH-UHFFFAOYSA-N 0 0 268.143 3.898 50 30 CHEARN COc1ccc(C(=O)/C=C/Sc2ccccn2)cc1 ZINC000000174388 567821334 /nfs/dbraw/zinc/82/13/34/567821334.db2.gz IOYBGXKIATYPON-PKNBQFBNSA-N 0 0 271.341 3.579 50 30 CHEARN c1sc([N-][NH+]=C2CCCCCN2)nc1-c1ccccc1 ZINC000000245715 567822779 /nfs/dbraw/zinc/82/27/79/567822779.db2.gz AOVWQNHSUJIFQB-UHFFFAOYSA-N 0 0 286.404 3.699 50 30 CHEARN NC(=O)c1ccc(/N=C/c2ccc3ccccc3c2)cc1 ZINC000000291927 567823955 /nfs/dbraw/zinc/82/39/55/567823955.db2.gz SYRVRSNUFSPMOQ-UDWIEESQSA-N 0 0 274.323 3.689 50 30 CHEARN Cc1ccc(/N=C/c2ccc([N+](=O)[O-])s2)cc1F ZINC000000298135 567824268 /nfs/dbraw/zinc/82/42/68/567824268.db2.gz INYSWVQBHSKXEB-VGOFMYFVSA-N 0 0 264.281 3.854 50 30 CHEARN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(O)cc2)c1 ZINC000000292466 567824334 /nfs/dbraw/zinc/82/43/34/567824334.db2.gz HWFHOBDJUSBEPD-OVCLIPMQSA-N 0 0 276.679 3.704 50 30 CHEARN C[NH+](C)CC[C@](C#N)(Cc1ccccc1)c1ccccc1 ZINC000000394144 567828751 /nfs/dbraw/zinc/82/87/51/567828751.db2.gz ILTLPNDKHJXRGX-LJQANCHMSA-N 0 0 278.399 3.642 50 30 CHEARN CC1=C(c2ccccc2)[C@](O)(c2ccccc2)[C@H](C)C1=O ZINC000000391476 567828755 /nfs/dbraw/zinc/82/87/55/567828755.db2.gz VAAQGIJITBVELH-AUUYWEPGSA-N 0 0 278.351 3.567 50 30 CHEARN C(=N/N=C(c1ccccc1)c1ccccc1)\c1ccncc1 ZINC000000437109 567830144 /nfs/dbraw/zinc/83/01/44/567830144.db2.gz HVDDERZMYLAPGL-RCCKNPSSSA-N 0 0 285.350 3.953 50 30 CHEARN Oc1ccc(/C=N/c2ccc(Br)cc2)cc1 ZINC000000498030 567833032 /nfs/dbraw/zinc/83/30/32/567833032.db2.gz SAEGKEGVAOXMDI-OQLLNIDSSA-N 0 0 276.133 3.905 50 30 CHEARN Cc1ccc(O)c(NC=CC(=O)c2cccs2)c1 ZINC000002854699 567849959 /nfs/dbraw/zinc/84/99/59/567849959.db2.gz FJNRHQMGLNXRSS-VOTSOKGWSA-N 0 0 259.330 3.571 50 30 CHEARN Cc1cc(C(=O)CC#N)c(C)n1-c1ccc(C)c(C)c1 ZINC000003321976 567852369 /nfs/dbraw/zinc/85/23/69/567852369.db2.gz LXAABDDBWNKMJN-UHFFFAOYSA-N 0 0 266.344 3.807 50 30 CHEARN COC(=O)c1ccc(NC(C)=CC(=O)c2ccc(C)o2)cc1 ZINC000004058311 567854960 /nfs/dbraw/zinc/85/49/60/567854960.db2.gz GOCKOGUVOOTLCR-ZHACJKMWSA-N 0 0 299.326 3.573 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000004058781 567855178 /nfs/dbraw/zinc/85/51/78/567855178.db2.gz VYCHTZRFUNDXSN-AWNIVKPZSA-N 0 0 281.355 3.657 50 30 biogenic CHEARN Cc1nc(C(=O)N(CCC#N)c2ccc(C)c(C)c2)cs1 ZINC000071900166 567856372 /nfs/dbraw/zinc/85/63/72/567856372.db2.gz LTSNCLGORUGLMM-UHFFFAOYSA-N 0 0 299.399 3.629 50 30 CHEARN COc1cccc(C(=O)/C=C/c2ccc(F)cc2)c1 ZINC000004317027 567856571 /nfs/dbraw/zinc/85/65/71/567856571.db2.gz PYEAPUNWGAISRJ-JXMROGBWSA-N 0 0 256.276 3.730 50 30 CHEARN Fc1cccc(NN=Cc2nc3ccccc3s2)c1 ZINC000004390005 567857415 /nfs/dbraw/zinc/85/74/15/567857415.db2.gz PUHTYLORYDJWGC-CXUHLZMHSA-N 0 0 271.320 3.881 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000004578245 567858170 /nfs/dbraw/zinc/85/81/70/567858170.db2.gz SOOSEORTRSWTNW-SOFGYWHQSA-N 0 0 289.312 3.561 50 30 CHEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O ZINC000004538008 567858186 /nfs/dbraw/zinc/85/81/86/567858186.db2.gz MUMGGOZAMZWBJJ-KZYORJDKSA-N 0 0 288.431 3.879 50 30 endogenous,in-man CHEARN Cc1cccc(NC(=O)N[C@H](CCC#N)c2ccccc2)n1 ZINC000097378766 567860527 /nfs/dbraw/zinc/86/05/27/567860527.db2.gz XMKKRYJCAHQFMF-OAHLLOKOSA-N 0 0 294.358 3.557 50 30 CHEARN Cc1ccc(C(=O)Cc2nc3ccccc3[nH]c2=O)cc1 ZINC000012447535 567863652 /nfs/dbraw/zinc/86/36/52/567863652.db2.gz JMESLTJTWQGOBD-GDNBJRDFSA-N 0 0 278.311 3.775 50 30 CHEARN CC1C/C(=C\c2ccccn2)C(=O)/C(=C\c2ccccn2)C1 ZINC000032639098 567863860 /nfs/dbraw/zinc/86/38/60/567863860.db2.gz ZIDKQCBQNLSWTG-RHDGPOJRSA-N 0 0 290.366 3.943 50 30 CHEARN Cc1ccc(C=NN=c2[nH]c3ccc(Cl)cc3[nH]2)o1 ZINC000013479012 567866450 /nfs/dbraw/zinc/86/64/50/567866450.db2.gz APHKDARJIGKYFO-VIZOYTHASA-N 0 0 274.711 3.564 50 30 CHEARN N#CCCn1c(COc2ccccc2)nc2ccccc21 ZINC000014287737 567869029 /nfs/dbraw/zinc/86/90/29/567869029.db2.gz QFRIZLSKIBMQJK-UHFFFAOYSA-N 0 0 277.327 3.529 50 30 CHEARN N#Cc1c(COc2ccc(F)cc2F)cn2ccccc12 ZINC000032901589 567871051 /nfs/dbraw/zinc/87/10/51/567871051.db2.gz URUKZGMIFIXHIF-UHFFFAOYSA-N 0 0 284.265 3.668 50 30 CHEARN Oc1ccccc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000014257458 567883296 /nfs/dbraw/zinc/88/32/96/567883296.db2.gz WOEBAKPXJFRAPH-YVLHZVERSA-N 0 0 295.367 3.962 50 30 CHEARN C=CCS[C@H](C)c1nnc(CCc2ccccc2)[nH]1 ZINC000067675300 567885970 /nfs/dbraw/zinc/88/59/70/567885970.db2.gz YXQOSDIMTYAYRK-GFCCVEGCSA-N 0 0 273.405 3.570 50 30 CHEARN CCC[C@H](C#N)NC(=O)/C=C/c1c(CC)oc2ccccc21 ZINC000058165810 567895395 /nfs/dbraw/zinc/89/53/95/567895395.db2.gz VSJNANLMWQNXHB-OCHBPSSRSA-N 0 0 296.370 3.817 50 30 CHEARN N#Cc1c(N)c(C#N)c(-c2ccccc2)cc1-c1ccco1 ZINC000000028097 567901306 /nfs/dbraw/zinc/90/13/06/567901306.db2.gz SLQVQKSDEBBOSA-UHFFFAOYSA-N 0 0 285.306 3.939 50 30 aggregator,in-vivo CHEARN CC(=O)c1ccc(N/N=C2\Sc3ccccc3C2=O)cc1 ZINC000000048232 567906016 /nfs/dbraw/zinc/90/60/16/567906016.db2.gz JSDARVVHMOKMIE-VLGSPTGOSA-N 0 0 296.351 3.603 50 30 CHEARN N#Cc1ccc(OCc2cccc3cccnc32)cc1 ZINC000011298643 567906759 /nfs/dbraw/zinc/90/67/59/567906759.db2.gz KXYSTCXAKLVIER-UHFFFAOYSA-N 0 0 260.296 3.685 50 30 CHEARN CCOC(=O)c1ccc(/N=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000100032192 567911841 /nfs/dbraw/zinc/91/18/41/567911841.db2.gz CFHPLYRQKPLRNN-GZTJUZNOSA-N 0 0 298.298 3.522 50 30 CHEARN N#CCc1ccc(N2CCC(=O)C3CCCC[C@H]32)cc1 ZINC000100018670 567911937 /nfs/dbraw/zinc/91/19/37/567911937.db2.gz YGYPQKZAWAUTIU-MRXNPFEDSA-N 0 0 268.360 3.717 50 30 CHEARN CC(=O)Nc1ccc(/N=C/c2ccc(C)s2)cc1 ZINC000100033710 567911957 /nfs/dbraw/zinc/91/19/57/567911957.db2.gz DCOBPEBOKBIFMH-OQLLNIDSSA-N 0 0 258.346 3.766 50 30 CHEARN Oc1ccc(Cl)cc1/C=N/CCc1ccccc1 ZINC000100290569 567912680 /nfs/dbraw/zinc/91/26/80/567912680.db2.gz BVBFOUQMCJEBKN-GZTJUZNOSA-N 0 0 259.736 3.707 50 30 CHEARN CCC(=O)Nc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100384280 567913086 /nfs/dbraw/zinc/91/30/86/567913086.db2.gz SFGFBGYTFNNOCJ-GZTJUZNOSA-N 0 0 297.314 3.694 50 30 CHEARN Cc1ccc(-c2cc(-c3cccs3)c(C#N)c(N)n2)nc1 ZINC000071762144 567914805 /nfs/dbraw/zinc/91/48/05/567914805.db2.gz REQDAUVFQVKXEV-UHFFFAOYSA-N 0 0 292.367 3.634 50 30 CHEARN N#Cc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000014204233 567915543 /nfs/dbraw/zinc/91/55/43/567915543.db2.gz DEJCHHYJORWJGE-UHFFFAOYSA-N 0 0 275.105 3.508 50 30 CHEARN O=C1C=CC(=O)C(c2ccc(Oc3ccccc3)cc2)=C1 ZINC000103690836 567915785 /nfs/dbraw/zinc/91/57/85/567915785.db2.gz QNFADEUCTPASBF-UHFFFAOYSA-N 0 0 276.291 3.570 50 30 CHEARN N#CCCCOc1cccc(OCc2ccccc2)c1 ZINC000044125721 567922925 /nfs/dbraw/zinc/92/29/25/567922925.db2.gz JXNZPCBEKBFBAH-UHFFFAOYSA-N 0 0 267.328 3.948 50 30 CHEARN C=CCn1cnc2scc(-c3ccc(CC)cc3)c2c1=O ZINC000000131712 567923664 /nfs/dbraw/zinc/92/36/64/567923664.db2.gz JGORQOQANZOVIZ-UHFFFAOYSA-N 0 0 296.395 3.873 50 30 CHEARN N#CC[C@@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000000169043 567924216 /nfs/dbraw/zinc/92/42/16/567924216.db2.gz XILVNJSKZFXRJZ-HNNXBMFYSA-N 0 0 265.312 3.655 50 30 CHEARN O=[N+]([O-])c1cc(/N=C/c2ccco2)ccc1Cl ZINC000000288402 567926268 /nfs/dbraw/zinc/92/62/68/567926268.db2.gz OKMXRMHNFCRTPA-NTUHNPAUSA-N 0 0 250.641 3.592 50 30 CHEARN Cc1ccc(C(=O)C=CNc2cccc(O)c2)cc1 ZINC000100791018 567928788 /nfs/dbraw/zinc/92/87/88/567928788.db2.gz SZYURVAAOSLNKK-KTKRTIGZSA-N 0 0 253.301 3.509 50 30 CHEARN COc1cccc(/C=C2\CCc3cc(OC)ccc3C2=O)c1 ZINC000000214503 567930692 /nfs/dbraw/zinc/93/06/92/567930692.db2.gz MXBIECKUJRNWNF-XNTDXEJSSA-N 0 0 294.350 3.916 50 30 biogenic CHEARN C=CCCC(=O)N1CCCC[C@@H](c2ccc(OC)cc2)C1 ZINC000206883129 567938847 /nfs/dbraw/zinc/93/88/47/567938847.db2.gz KRYIPIWDHWTYCE-MRXNPFEDSA-N 0 0 287.403 3.758 50 30 CHEARN CC(=O)C(N=Nc1ccccc1)=NNc1ccccc1 ZINC000100927853 567939316 /nfs/dbraw/zinc/93/93/16/567939316.db2.gz BQKCJZTWOQOUSP-RZBFYTONSA-N 0 0 266.304 3.785 50 30 CHEARN CCc1nnc(/N=C/c2cccc(Cl)c2)s1 ZINC000000497109 567940227 /nfs/dbraw/zinc/94/02/27/567940227.db2.gz FFTLRDDOCDKQQM-NTUHNPAUSA-N 0 0 251.742 3.505 50 30 CHEARN C[C@H]1C[C@H](C)CN(c2cc(C#N)c3ccccc3n2)C1 ZINC000018194586 567940536 /nfs/dbraw/zinc/94/05/36/567940536.db2.gz SOAQIDMASOAYAW-STQMWFEESA-N 0 0 265.360 3.589 50 30 CHEARN Fc1ccc(CNC(=S)NC2CCCCCC2)cc1 ZINC000013519638 567941704 /nfs/dbraw/zinc/94/17/04/567941704.db2.gz AQHACEMCZULYGG-UHFFFAOYSA-N 0 0 280.412 3.924 50 30 CHEARN COc1cccc(CSc2nc(C)cc(C)c2C#N)c1 ZINC000000523496 567942441 /nfs/dbraw/zinc/94/24/41/567942441.db2.gz RUROHOOTSUVIKT-UHFFFAOYSA-N 0 0 284.384 3.871 50 30 CHEARN CCOC(=O)[C@@H](C#N)[C@@](C)(c1cccs1)c1ccccc1 ZINC000000532591 567942540 /nfs/dbraw/zinc/94/25/40/567942540.db2.gz QBFZSHHTOKKTFK-PBHICJAKSA-N 0 0 299.395 3.757 50 30 CHEARN CCC(=O)[C@H](C#N)[C@H](c1ccco1)c1ccccc1OC ZINC000000546236 567943104 /nfs/dbraw/zinc/94/31/04/567943104.db2.gz YCRNBNOENAWLRS-SUMWQHHRSA-N 0 0 283.327 3.539 50 30 CHEARN Cc1cccc(N(O)C(=O)/C=C/c2ccccc2)c1C ZINC000002522776 567944219 /nfs/dbraw/zinc/94/42/19/567944219.db2.gz SLIQYZYALKWWAT-VAWYXSNFSA-N 0 0 267.328 3.739 50 30 CHEARN COC(=O)c1c2ccccc2c(C#N)c2ccccc21 ZINC000000173363 567945232 /nfs/dbraw/zinc/94/52/32/567945232.db2.gz ZEEFVQNVQOXQQH-UHFFFAOYSA-N 0 0 261.280 3.651 50 30 CHEARN Cc1cc(C)c(C#N)c(Nc2ccc(Cl)cc2)n1 ZINC000000198390 567945617 /nfs/dbraw/zinc/94/56/17/567945617.db2.gz PDRCKTPWMPITGN-UHFFFAOYSA-N 0 0 257.724 3.967 50 30 CHEARN CCCOc1ccc(C/N=C/c2cccc(OC)c2O)cc1 ZINC000044836073 567946049 /nfs/dbraw/zinc/94/60/49/567946049.db2.gz AWJWSRHDWWGFQS-CPNJWEJPSA-N 0 0 299.370 3.809 50 30 CHEARN C=CCOc1cccc(NC(=O)c2ccc[nH]c2=S)c1 ZINC000048927073 567946635 /nfs/dbraw/zinc/94/66/35/567946635.db2.gz RMPDZUNEOPTHRV-UHFFFAOYSA-N 0 0 286.356 3.561 50 30 CHEARN CCC[C@H](NC(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000014903604 567946858 /nfs/dbraw/zinc/94/68/58/567946858.db2.gz QUPUEJDCSRXGAI-KRWDZBQOSA-N 0 0 278.355 3.829 50 30 CHEARN CN(C(=O)C(C)(C)C#N)c1cc(Cl)cc(Cl)c1 ZINC000071904490 570216615 /nfs/dbraw/zinc/21/66/15/570216615.db2.gz QPWZSSIOLGCYJL-UHFFFAOYSA-N 0 0 271.147 3.506 50 30 CHEARN N#Cc1cccnc1N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000032779306 570222608 /nfs/dbraw/zinc/22/26/08/570222608.db2.gz QIITUNPKLJUYBD-HNNXBMFYSA-N 0 0 283.762 3.948 50 30 CHEARN CC(=O)c1ccc(N=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000062077 570251529 /nfs/dbraw/zinc/25/15/29/570251529.db2.gz BVABHWRNVARUQC-MHWRWJLKSA-N 0 0 268.272 3.548 50 30 CHEARN CCCCCCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000098050585 570253118 /nfs/dbraw/zinc/25/31/18/570253118.db2.gz KTWNQIGDYSOLGD-UHFFFAOYSA-N 0 0 293.407 3.507 50 30 CHEARN Cc1cc(Oc2ccc(Cl)cc2Cl)nc(C#N)n1 ZINC000000494764 570283099 /nfs/dbraw/zinc/28/30/99/570283099.db2.gz CBNWFZKXZONGKZ-UHFFFAOYSA-N 0 0 280.114 3.756 50 30 CHEARN N#Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000018090539 570283202 /nfs/dbraw/zinc/28/32/02/570283202.db2.gz GANZESJYJAYISW-UHFFFAOYSA-N 0 0 294.329 3.502 50 30 CHEARN CC(C)CNC(=S)N1CCC(Cc2ccccc2)CC1 ZINC000013827937 570285231 /nfs/dbraw/zinc/28/52/31/570285231.db2.gz TXTGJTDNZIVVAA-UHFFFAOYSA-N 0 0 290.476 3.883 50 30 CHEARN N#Cc1ccc(CSC[C@@H](O)c2ccccc2)cc1 ZINC000049302733 570300351 /nfs/dbraw/zinc/30/03/51/570300351.db2.gz MBRNLBJTESZIPQ-MRXNPFEDSA-N 0 0 269.369 3.525 50 30 CHEARN COc1ccccc1OCCn1cc(C#N)c2ccccc21 ZINC000000304285 570302269 /nfs/dbraw/zinc/30/22/69/570302269.db2.gz VBEITXJADKYVSX-UHFFFAOYSA-N 0 0 292.338 3.601 50 30 CHEARN Cc1ccc(NC=CC(=O)c2ccc3c(c2)OCO3)cc1F ZINC000044842725 570329566 /nfs/dbraw/zinc/32/95/66/570329566.db2.gz HDBWFSBQXWJFJL-VOTSOKGWSA-N 0 0 299.301 3.671 50 30 CHEARN C=CC[Si](CC=C)(c1ccccc1)c1ccccc1 ZINC000195765618 570336408 /nfs/dbraw/zinc/33/64/08/570336408.db2.gz ZODWTWYKYYGSFS-UHFFFAOYSA-N 0 0 264.444 3.622 50 30 CHEARN Cc1nn2c(nc(C)cc2SCC#N)c1-c1ccccc1 ZINC000004295331 570338243 /nfs/dbraw/zinc/33/82/43/570338243.db2.gz IKRWSIONZWYJSC-UHFFFAOYSA-N 0 0 294.383 3.629 50 30 CHEARN C=CCn1c(C)nnc1SCc1cccc(Cl)c1 ZINC000013989940 570364704 /nfs/dbraw/zinc/36/47/04/570364704.db2.gz ZTLAGQSVQZAENN-UHFFFAOYSA-N 0 0 279.796 3.718 50 30 CHEARN Cc1cccc2ncnc(N[C@H](C)c3ccc(C#N)cc3)c12 ZINC000170652364 570375752 /nfs/dbraw/zinc/37/57/52/570375752.db2.gz ZSBDSJZDZSPLAT-CYBMUJFWSA-N 0 0 288.354 3.983 50 30 CHEARN N#Cc1c2nc3ccccc3n2c(Cl)c2c1CCCC2 ZINC000000308228 570387438 /nfs/dbraw/zinc/38/74/38/570387438.db2.gz LIBJDHFUUQBZDC-UHFFFAOYSA-N 0 0 281.746 3.891 50 30 CHEARN CC[C@H](c1ccccn1)N(C)Cc1ccccc1C#N ZINC000067974570 570394108 /nfs/dbraw/zinc/39/41/08/570394108.db2.gz DSEIGSBRMHHNNL-QGZVFWFLSA-N 0 0 265.360 3.536 50 30 CHEARN Cc1nc(C)c(C(=O)N(CCC#N)c2cccc(C)c2)s1 ZINC000069778363 570402501 /nfs/dbraw/zinc/40/25/01/570402501.db2.gz BGVFSTVOYWQHSO-UHFFFAOYSA-N 0 0 299.399 3.629 50 30 CHEARN N#C[C@H](C(=O)c1ccsc1)c1ccc(C(F)(F)F)cn1 ZINC000041554549 570404120 /nfs/dbraw/zinc/40/41/20/570404120.db2.gz YWGZYVKYFDXTOW-JTQLQIEISA-N 0 0 296.273 3.652 50 30 CHEARN CC(=O)c1c(C)[nH]c(=S)c(C#N)c1C=Cc1ccccc1 ZINC000951723443 614245042 /nfs/dbraw/zinc/24/50/42/614245042.db2.gz HYOMTCORAWFZCO-CMDGGOBGSA-N 0 0 294.379 3.923 50 30 CHEARN CCCN(CCc1ccccc1)C(=O)c1ccccc1C#N ZINC000952991466 614583717 /nfs/dbraw/zinc/58/37/17/614583717.db2.gz QEQVRAMPQALTTK-UHFFFAOYSA-N 0 0 292.382 3.653 50 30 CHEARN Cc1sc(NC(=O)c2ccsc2)c(C#N)c1C ZINC000025012819 1125586133 /nfs/dbraw/zinc/58/61/33/1125586133.db2.gz GOUAJVNNPBOMOR-UHFFFAOYSA-N 0 0 262.359 3.550 50 30 CHEARN O=C1CCC2=C1[C@@H](c1ccccc1)Nc1ccccc1N2 ZINC000054202289 1125653065 /nfs/dbraw/zinc/65/30/65/1125653065.db2.gz LYNZGEOPZFPYRL-GOSISDBHSA-N 0 0 276.339 3.882 50 30 CHEARN O=C(/C=C/N1CCC(Cc2ccccc2)CC1)C(F)(F)F ZINC000003310386 1125683159 /nfs/dbraw/zinc/68/31/59/1125683159.db2.gz DFVNUWRNBAYGOG-DHZHZOJOSA-N 0 0 297.320 3.586 50 30 CHEARN N#Cc1ccc(OC(Cl)(Cl)Cl)c(F)c1F ZINC000095215426 1125774223 /nfs/dbraw/zinc/77/42/23/1125774223.db2.gz GZHZXWXGPZQBRT-UHFFFAOYSA-N 0 0 272.465 3.543 50 30 CHEARN CC(C)SCc1cccc(NC(=O)N[C@@H](C)CC#N)c1 ZINC000160944421 1126791078 /nfs/dbraw/zinc/79/10/78/1126791078.db2.gz HPKHJIHSAWDVGT-LBPRGKRZSA-N 0 0 291.420 3.752 50 30 CHEARN C1=C[C@H]2C(N=Nc3nc4ccccc4s3)C[C@@H]2C1 ZINC000254406143 1127092500 /nfs/dbraw/zinc/09/25/00/1127092500.db2.gz BTXSZCRXTAREAT-VHSXEESVSA-N 0 0 255.346 3.660 50 30 CHEARN COc1ccc(OC)c(C(=O)/C=C\c2ccc(C)cc2)c1 ZINC000211789250 1128111606 /nfs/dbraw/zinc/11/16/06/1128111606.db2.gz HIWXCZOHIRFAKY-NTMALXAHSA-N 0 0 282.339 3.908 50 30 CHEARN COc1ccc2cc(/C=C3\Cn4cccc4C3=O)ccc2c1 ZINC000032895125 1128423251 /nfs/dbraw/zinc/42/32/51/1128423251.db2.gz AAQYVKDUWSEBSZ-MHWRWJLKSA-N 0 0 289.334 3.930 50 30 CHEARN C=C(C)c1ncc(-c2ccccc2OC[C@@H]2CCOC2)cn1 ZINC000863972946 1128706292 /nfs/dbraw/zinc/70/62/92/1128706292.db2.gz XJIMFWXVFKMPLN-CQSZACIVSA-N 0 0 296.370 3.592 50 30 CHEARN Cc1ccc(/C=C\C(=O)c2ccc3c(c2)CCO3)s1 ZINC000048521040 1128714409 /nfs/dbraw/zinc/71/44/09/1128714409.db2.gz BZMVIVDEXHUEMB-WAYWQWQTSA-N 0 0 270.353 3.888 50 30 CHEARN N#Cc1nc(-c2ccccc2)oc1NCCc1ccccc1 ZINC000000065807 1120123011 /nfs/dbraw/zinc/12/30/11/1120123011.db2.gz JRZFGWSZERDOPT-UHFFFAOYSA-N 0 0 289.338 3.868 50 30 CHEARN C=C(C)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000048265546 1120806305 /nfs/dbraw/zinc/80/63/05/1120806305.db2.gz PRSPTKHSCQXSRS-UHFFFAOYSA-N 0 0 271.389 3.813 50 30 CHEARN C=CCNC(=O)c1cccc(-c2noc([C@H](C)C3CC3)n2)c1 ZINC000328593814 1121152805 /nfs/dbraw/zinc/15/28/05/1121152805.db2.gz MXPGNQMRVHESOC-LLVKDONJSA-N 0 0 297.358 3.741 50 30 CHEARN Cc1cc(N=NC2CCCCc3ccccc32)nc(C)n1 ZINC000606442226 1121665615 /nfs/dbraw/zinc/66/56/15/1121665615.db2.gz HKYCBAOXDOJVGQ-UHFFFAOYSA-N 0 0 280.375 3.636 50 30 CHEARN COc1ccc(C(C)=NNc2ccc(C)cc2)c(O)c1 ZINC000606346823 1121665875 /nfs/dbraw/zinc/66/58/75/1121665875.db2.gz HXJLIHDTMDZLOZ-UHFFFAOYSA-N 0 0 270.332 3.545 50 30 CHEARN C=C1CCC(NC(=O)c2ccc(SC)cc2)CC1 ZINC000618257101 1121702242 /nfs/dbraw/zinc/70/22/42/1121702242.db2.gz QKQFLTNIWDORLH-UHFFFAOYSA-N 0 0 261.390 3.637 50 30 CHEARN N#CC1(c2cccc(Br)c2F)CCCC1 ZINC000259631871 1121767885 /nfs/dbraw/zinc/76/78/85/1121767885.db2.gz CFXLFPGYPVEKMQ-UHFFFAOYSA-N 0 0 268.129 3.924 50 30 CHEARN Cc1cc(NC2=CC(=O)CC(C)(C)C2)n(-c2ccccc2)n1 ZINC000263619745 1121843524 /nfs/dbraw/zinc/84/35/24/1121843524.db2.gz QXWVRFSNLHRTRD-UHFFFAOYSA-N 0 0 295.386 3.866 50 30 CHEARN N#Cc1c(-c2ccccc2)oc2c1C(=O)c1ccccc1C2=O ZINC000000052546 1122551584 /nfs/dbraw/zinc/55/15/84/1122551584.db2.gz YXQQNFTWQFRXNA-UHFFFAOYSA-N 0 0 299.285 3.594 50 30 CHEARN N#Cc1cn(CCC2CCC2)c2ccc(Cl)cc2c1=O ZINC000594891942 1123661023 /nfs/dbraw/zinc/66/10/23/1123661023.db2.gz UCEMGFBARUFHRW-UHFFFAOYSA-N 0 0 286.762 3.717 50 30 CHEARN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccc(Cl)c1 ZINC000620313933 1125227193 /nfs/dbraw/zinc/22/71/93/1125227193.db2.gz JYBMCPATERWSPO-IYBDPMFKSA-N 0 0 289.806 3.982 50 30 CHEARN CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000000258956 1125421817 /nfs/dbraw/zinc/42/18/17/1125421817.db2.gz PZBUHIAOLWZTLU-JTQLQIEISA-N 0 0 276.405 3.729 50 30 CHEARN Cc1cc(/C=C2/Cc3ccccc3C2=O)cc(C)c1O ZINC000089587275 1129241056 /nfs/dbraw/zinc/24/10/56/1129241056.db2.gz OPDMUVSTUVIHEE-DHDCSXOGSA-N 0 0 264.324 3.831 50 30 CHEARN NNC(=S)N=Cc1c2ccccc2cc2ccccc21 ZINC000252679674 1129587192 /nfs/dbraw/zinc/58/71/92/1129587192.db2.gz PWODBGLZNAMDDG-UHFFFAOYSA-N 0 0 279.368 3.571 50 30 CHEARN O=[N+]([O-])c1cccc(N=Cc2c[nH]c3ccccc23)c1 ZINC000254395781 1129692367 /nfs/dbraw/zinc/69/23/67/1129692367.db2.gz WWTXMVIYBJJHEF-UHFFFAOYSA-N 0 0 265.272 3.827 50 30 CHEARN O=[N+]([O-])c1cccc(C=NN=c2[nH]c3ccccc3s2)c1 ZINC000254615826 1129702439 /nfs/dbraw/zinc/70/24/39/1129702439.db2.gz LGXZVSDMYLPCEX-UHFFFAOYSA-N 0 0 298.327 3.651 50 30 CHEARN CCON=Cc1csc(Nc2cccc(C)c2C)n1 ZINC000254765745 1129709851 /nfs/dbraw/zinc/70/98/51/1129709851.db2.gz WBFNEBIEQWBNGI-UHFFFAOYSA-N 0 0 275.377 3.874 50 30 CHEARN CCc1c(C#N)c(=S)[nH]c(C)c1C(=O)Nc1ccccc1 ZINC000000289342 1129741175 /nfs/dbraw/zinc/74/11/75/1129741175.db2.gz OSNSDJPSYZZTGM-UHFFFAOYSA-N 0 0 297.383 3.739 50 30 CHEARN C=CCCc1ccccc1NC(=O)NC[C@]1(C)CC1(F)F ZINC000667029042 1130676679 /nfs/dbraw/zinc/67/66/79/1130676679.db2.gz NWUWLQJGTGZNNY-HNNXBMFYSA-N 0 0 294.345 3.972 50 30 CHEARN C=CCCC(=O)NC[C@H](c1ccsc1)c1ccco1 ZINC000667647557 1130677126 /nfs/dbraw/zinc/67/71/26/1130677126.db2.gz FKQQMPIZUITMPE-CYBMUJFWSA-N 0 0 275.373 3.555 50 30 CHEARN CCCCCc1nc(-c2ccccc2C#N)n(CC)n1 ZINC000952861422 1132016115 /nfs/dbraw/zinc/01/61/15/1132016115.db2.gz FLYGKXZNUVJCIB-UHFFFAOYSA-N 0 0 268.364 3.569 50 30 CHEARN Cc1cc(N=NCc2ccccc2)nc(-c2ccccc2)n1 ZINC000004947389 230369296 /nfs/dbraw/zinc/36/92/96/230369296.db2.gz UZINDJRGDDCHJW-CPNJWEJPSA-N 0 0 288.354 3.898 50 30 CHEARN C=CCCC(=O)Nc1cc(CC)nc2ccccc21 ZINC000095997571 185061254 /nfs/dbraw/zinc/06/12/54/185061254.db2.gz SNNWQKYIPNIZKT-UHFFFAOYSA-N 0 0 254.333 3.702 50 30 CHEARN O=C(/C=C\c1cccc2nccnc12)c1ccccc1 ZINC000096035398 185069525 /nfs/dbraw/zinc/06/95/25/185069525.db2.gz IJXPCSHXWZGEMR-KTKRTIGZSA-N 0 0 260.296 3.526 50 30 CHEARN CCc1nc(/C=C2/Cc3ccccc3C2=O)c2ccccn21 ZINC000096055520 185076404 /nfs/dbraw/zinc/07/64/04/185076404.db2.gz CBKATJUUVOUBBC-OWBHPGMISA-N 0 0 288.350 3.719 50 30 CHEARN Cc1cc(/C=C\C(=O)c2ccc(O)cc2)cc(C)c1O ZINC000096766243 185112081 /nfs/dbraw/zinc/11/20/81/185112081.db2.gz XRIGJTYZFQSPFC-BAQGIRSFSA-N 0 0 268.312 3.611 50 30 CHEARN CCOc1ccc(/C=C\C(=O)c2cccc(O)c2)cc1 ZINC000096792660 185114579 /nfs/dbraw/zinc/11/45/79/185114579.db2.gz RUOLPVLVNKGHPV-FLIBITNWSA-N 0 0 268.312 3.687 50 30 CHEARN Cc1ccsc1/C=C1/Cc2c(cccc2O)C1=O ZINC000096931923 185131779 /nfs/dbraw/zinc/13/17/79/185131779.db2.gz TYCZBRXGDSHMER-NTMALXAHSA-N 0 0 256.326 3.585 50 30 CHEARN CCCOc1ccc(/C=C2/Oc3cc(O)ccc3C2=O)cc1 ZINC000096930451 185131858 /nfs/dbraw/zinc/13/18/58/185131858.db2.gz CUFHUIVEPYRBIY-LICLKQGHSA-N 0 0 296.322 3.797 50 30 CHEARN C=CCNC(=O)/C(=C/c1ccc(OC)cc1)c1cccs1 ZINC000096991334 185146259 /nfs/dbraw/zinc/14/62/59/185146259.db2.gz JQMIRNSPGDPFHP-NTCAYCPXSA-N 0 0 299.395 3.600 50 30 CHEARN CCOc1cccc(/C=N/c2cc(C)c(C)cc2O)c1O ZINC000102414138 185777068 /nfs/dbraw/zinc/77/70/68/185777068.db2.gz ZTEAKRJOFGZZOO-VCHYOVAHSA-N 0 0 285.343 3.864 50 30 CHEARN C=CCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000091294582 180124986 /nfs/dbraw/zinc/12/49/86/180124986.db2.gz DUTZXTJPEKETHY-UHFFFAOYSA-N 0 0 279.339 3.711 50 30 CHEARN N#Cc1ccc(-c2cn3cc(Br)ccc3n2)cc1 ZINC000105736917 186069462 /nfs/dbraw/zinc/06/94/62/186069462.db2.gz ITBWVHDCJAFYOQ-UHFFFAOYSA-N 0 0 298.143 3.635 50 30 CHEARN O=C(C(Cl)=CNc1ccc(F)c(F)c1)C(F)(F)F ZINC000105893881 186086007 /nfs/dbraw/zinc/08/60/07/186086007.db2.gz RIDOVTUZOWKTNG-GQCTYLIASA-N 0 0 285.599 3.588 50 30 CHEARN C[C@H](CC(=O)NC1(C#N)CCCC1)c1c[nH]c2ccccc21 ZINC000170615742 188677287 /nfs/dbraw/zinc/67/72/87/188677287.db2.gz LRAFHMZSWQYPEI-CYBMUJFWSA-N 0 0 295.386 3.614 50 30 CHEARN C=CCN(CC=C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000000029883 169508893 /nfs/dbraw/zinc/50/88/93/169508893.db2.gz FLGZYXVZDQHQHI-UHFFFAOYSA-N 0 0 270.159 3.808 50 30 CHEARN C(=N/c1ccc(/N=C/c2ccc[nH]2)cc1)\c1ccc[nH]1 ZINC000000069882 169525470 /nfs/dbraw/zinc/52/54/70/169525470.db2.gz VJGIDPMSVFBNBQ-AYKLPDECSA-N 0 0 262.316 3.844 50 30 CHEARN N#Cc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000000121772 169543429 /nfs/dbraw/zinc/54/34/29/169543429.db2.gz IPRJCIVGKWLASQ-UHFFFAOYSA-N 0 0 264.206 3.764 50 30 CHEARN N#Cc1ccc(Oc2cccc3cccnc32)cc1C#N ZINC000000285422 169597441 /nfs/dbraw/zinc/59/74/41/169597441.db2.gz VGMCUPGUTYCSLQ-UHFFFAOYSA-N 0 0 271.279 3.770 50 30 CHEARN Cc1ccc(NC=CC(=O)c2ccc(F)cc2)c(O)c1 ZINC000000463665 169647683 /nfs/dbraw/zinc/64/76/83/169647683.db2.gz HCTSYAPWWOSPNR-CMDGGOBGSA-N 0 0 271.291 3.648 50 30 CHEARN Cc1oc2cc(C#N)c(C#N)cc2c1[C@H](O)c1cccs1 ZINC000066087646 184570635 /nfs/dbraw/zinc/57/06/35/184570635.db2.gz OAAVAXZITWGYMD-MRXNPFEDSA-N 0 0 294.335 3.628 50 30 CHEARN CC[C@H](NC(=O)c1occc1C(C)C)C1CCOCC1 ZINC000330552529 256848976 /nfs/dbraw/zinc/84/89/76/256848976.db2.gz XYPNOVHPRIGBFN-AWEZNQCLSA-N 0 0 279.380 3.913 50 30 CHEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@@H]3CC[C@]21C ZINC000253595750 131144117 /nfs/dbraw/zinc/14/41/17/131144117.db2.gz ICTXHFFSOAJUMG-UTBUEMAESA-N 0 0 298.426 3.637 50 30 CHEARN C=CCOc1ccc2c(C)c(Cl)c(=O)oc2c1C ZINC000002150433 169777069 /nfs/dbraw/zinc/77/70/69/169777069.db2.gz MUJILPFOOFXHEB-UHFFFAOYSA-N 0 0 264.708 3.628 50 30 CHEARN CCO[P@](=O)(C#CC(C)(C)C)C1(O)CCCCC1 ZINC000002318849 169785768 /nfs/dbraw/zinc/78/57/68/169785768.db2.gz OOTJJPAUSUKOJK-GOSISDBHSA-N 0 0 272.325 3.961 50 30 CHEARN N#Cc1ccsc1NC(=O)c1ccccc1Cl ZINC000002642280 169817812 /nfs/dbraw/zinc/81/78/12/169817812.db2.gz IPCADQIYKSDSIW-UHFFFAOYSA-N 0 0 262.721 3.525 50 30 CHEARN Cc1ccc(C(=O)C=CNc2ccc3c(c2)OCCO3)cc1 ZINC000002790806 169831463 /nfs/dbraw/zinc/83/14/63/169831463.db2.gz FFXACCXCCNORLV-CMDGGOBGSA-N 0 0 295.338 3.575 50 30 CHEARN N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000002852787 169837563 /nfs/dbraw/zinc/83/75/63/169837563.db2.gz UJOAPBQQLNMQAB-UHFFFAOYSA-N 0 0 274.663 3.912 50 30 CHEARN C=CCOc1ccccc1CNc1ccc2c(c1)OCO2 ZINC000003423895 169886983 /nfs/dbraw/zinc/88/69/83/169886983.db2.gz NNCCMYWFHRZVAS-UHFFFAOYSA-N 0 0 283.327 3.592 50 30 CHEARN Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000003506330 169892685 /nfs/dbraw/zinc/89/26/85/169892685.db2.gz FCKMQMJMGBFAIA-UHFFFAOYSA-N 0 0 254.245 3.567 50 30 CHEARN Cc1c2ccccc2oc1C(=O)OCc1ccccc1C#N ZINC000003550012 169896128 /nfs/dbraw/zinc/89/61/28/169896128.db2.gz MQMCSBMELIXGOU-UHFFFAOYSA-N 0 0 291.306 3.970 50 30 CHEARN Cc1csc(N=NCc2ccc(C(F)(F)F)cc2)n1 ZINC000003958948 169926958 /nfs/dbraw/zinc/92/69/58/169926958.db2.gz MLACIFXVJXNENJ-OMCISZLKSA-N 0 0 285.294 3.916 50 30 CHEARN CC(C)=NOC(=O)Nc1cc(Cl)ccc1Cl ZINC000004404261 169965595 /nfs/dbraw/zinc/96/55/95/169965595.db2.gz LZWKPDUHFQWOQL-UHFFFAOYSA-N 0 0 261.108 3.938 50 30 CHEARN Cc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000004713033 170003555 /nfs/dbraw/zinc/00/35/55/170003555.db2.gz YCILUQVIRMVIOQ-CMDGGOBGSA-N 0 0 273.313 3.861 50 30 CHEARN CC1=NN([C@@H](C#N)c2ccco2)[C@@H](c2ccccc2)C1 ZINC000004770509 170014143 /nfs/dbraw/zinc/01/41/43/170014143.db2.gz RHVNKVLKZPTBPV-CABCVRRESA-N 0 0 265.316 3.667 50 30 CHEARN Cc1nc2ccccc2nc1N=NC(C)c1ccc(F)cc1 ZINC000004771627 170014435 /nfs/dbraw/zinc/01/44/35/170014435.db2.gz IWRMINJOVDGTNV-SRZZPIQSSA-N 0 0 294.333 3.913 50 30 CHEARN C=CCSc1nc2sc3c(c2c(N)n1)CCCCC3 ZINC000004806805 170020056 /nfs/dbraw/zinc/02/00/56/170020056.db2.gz QAYOSCFCFYAJIO-UHFFFAOYSA-N 0 0 291.445 3.821 50 30 CHEARN COc1ccc(/C=N/Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004831659 170025527 /nfs/dbraw/zinc/02/55/27/170025527.db2.gz FAUNDYRHFPARJU-XNTDXEJSSA-N 0 0 288.328 3.730 50 30 CHEARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000004839150 170027223 /nfs/dbraw/zinc/02/72/23/170027223.db2.gz YNTQJIBSFGNMIH-VOTSOKGWSA-N 0 0 259.286 3.552 50 30 CHEARN C=CCOc1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000004868632 170034187 /nfs/dbraw/zinc/03/41/87/170034187.db2.gz LTMPPYLSNYBZLM-AWEZNQCLSA-N 0 0 281.355 3.742 50 30 CHEARN CCCSC1=N/C(=C\c2ccsc2)C(=O)S1 ZINC000004915160 170040271 /nfs/dbraw/zinc/04/02/71/170040271.db2.gz QSDCFDYVYAOMHU-TWGQIWQCSA-N 0 0 269.416 3.862 50 30 CHEARN CCOC(=O)c1ccc(/N=C/N(C)c2ccccc2)cc1 ZINC000005139818 170070587 /nfs/dbraw/zinc/07/05/87/170070587.db2.gz GNGYPJUKIKDJQT-QGOAFFKASA-N 0 0 282.343 3.660 50 30 CHEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NC1CCCC1 ZINC000005164006 170072896 /nfs/dbraw/zinc/07/28/96/170072896.db2.gz IYDIVTPTFGMDBE-UHFFFAOYSA-N 0 0 287.241 3.956 50 30 CHEARN CCSc1ccccc1C(=O)Nc1sccc1C#N ZINC000005240797 170079026 /nfs/dbraw/zinc/07/90/26/170079026.db2.gz GOXHLAAQUPSDOR-UHFFFAOYSA-N 0 0 288.397 3.984 50 30 CHEARN C[C@@H](C#N)OC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000005303439 170084553 /nfs/dbraw/zinc/08/45/53/170084553.db2.gz BVRMAIJGFCIBCJ-JTQLQIEISA-N 0 0 283.352 3.583 50 30 CHEARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C#N)c1C ZINC000005404520 170095229 /nfs/dbraw/zinc/09/52/29/170095229.db2.gz MYIQEPBCYDRUIQ-AWEZNQCLSA-N 0 0 294.354 3.581 50 30 CHEARN N#Cc1cccc(NC(=O)c2cc3c(s2)CCCC3)c1 ZINC000005456197 170101069 /nfs/dbraw/zinc/10/10/69/170101069.db2.gz BNJBLOACXRREQF-UHFFFAOYSA-N 0 0 282.368 3.751 50 30 CHEARN CC[C@@H]1S/C(=N\c2cccc(Cl)c2Cl)NC1=O ZINC000005468998 170102509 /nfs/dbraw/zinc/10/25/09/170102509.db2.gz BWPQJCNEHOECPD-QMMMGPOBSA-N 0 0 289.187 3.623 50 30 CHEARN CC1(C)[C@@H](CC#N)C[C@H]1C(=O)/C=C/c1ccccc1 ZINC000005477877 170103226 /nfs/dbraw/zinc/10/32/26/170103226.db2.gz NJBLUXNBMCTNQT-JJGIJDNGSA-N 0 0 253.345 3.845 50 30 CHEARN COc1ccc([C@H]2C[C@H]2/C(=N/O)c2ccccc2)cc1 ZINC000005527102 170108691 /nfs/dbraw/zinc/10/86/91/170108691.db2.gz SVZRWBOWZMYECF-OOOBVYKPSA-N 0 0 267.328 3.677 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1NCCC1=CCCCC1 ZINC000005688315 170129527 /nfs/dbraw/zinc/12/95/27/170129527.db2.gz PNAUWIQWTAPNAC-UHFFFAOYSA-N 0 0 271.320 3.769 50 30 CHEARN N#Cc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000005749940 170136605 /nfs/dbraw/zinc/13/66/05/170136605.db2.gz OVCVTRIKKQQNGX-UHFFFAOYSA-N 0 0 280.371 3.713 50 30 CHEARN CC(=CC(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1 ZINC000005816501 170143063 /nfs/dbraw/zinc/14/30/63/170143063.db2.gz FBBWLHDSYQXDLI-ACCUITESSA-N 0 0 295.338 3.656 50 30 CHEARN C=CCN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S ZINC000005824057 170143946 /nfs/dbraw/zinc/14/39/46/170143946.db2.gz TVOFOCMAJKBKNF-APPVOSCISA-N 0 0 287.409 3.630 50 30 CHEARN N#CCSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC000005866808 170148475 /nfs/dbraw/zinc/14/84/75/170148475.db2.gz OWZJMMIXIKFJMO-UHFFFAOYSA-N 0 0 288.376 3.659 50 30 CHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)c1c[nH]c2ccccc21 ZINC000005868201 170148610 /nfs/dbraw/zinc/14/86/10/170148610.db2.gz CDLLUNYTAKRBNX-LBPRGKRZSA-N 0 0 290.322 3.690 50 30 CHEARN Nc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 ZINC000006045207 170171718 /nfs/dbraw/zinc/17/17/18/170171718.db2.gz VQZFCSWNYVWDQJ-XCVCLJGOSA-N 0 0 257.720 3.818 50 30 CHEARN CCCNC(=O)c1ccsc1/N=C/c1ccc(C)cc1 ZINC000006399700 170198430 /nfs/dbraw/zinc/19/84/30/170198430.db2.gz UYMUTUALSSDEHT-WOJGMQOQSA-N 0 0 286.400 3.947 50 30 CHEARN S=C(N/N=C/c1ccc(Cl)cc1)Nc1ccccc1 ZINC000006514398 170208917 /nfs/dbraw/zinc/20/89/17/170208917.db2.gz XRVFOPFFNVHUJE-MHWRWJLKSA-N 0 0 289.791 3.661 50 30 CHEARN COc1ccccc1NC=CC(=O)c1ccccc1 ZINC000006565973 170213696 /nfs/dbraw/zinc/21/36/96/170213696.db2.gz CSIKGNOPKQCSGF-VAWYXSNFSA-N 0 0 253.301 3.504 50 30 CHEARN N#Cc1ccccc1CN1c2cccc3cccc(c23)C1=O ZINC000006626527 170219768 /nfs/dbraw/zinc/21/97/68/170219768.db2.gz IFURFKBOKILXSU-UHFFFAOYSA-N 0 0 284.318 3.872 50 30 CHEARN C=CCOc1cccc(NC(=O)c2ccccc2F)c1 ZINC000006728880 170234372 /nfs/dbraw/zinc/23/43/72/170234372.db2.gz AUOAJINOAVALDR-UHFFFAOYSA-N 0 0 271.291 3.643 50 30 CHEARN Cn1cc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cn1 ZINC000006828153 170247239 /nfs/dbraw/zinc/24/72/39/170247239.db2.gz JMXRMWRFEBGTEU-HWKANZROSA-N 0 0 281.142 3.623 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1O ZINC000006930933 170256379 /nfs/dbraw/zinc/25/63/79/170256379.db2.gz RTFYSTWYQDQPBZ-QHHAFSJGSA-N 0 0 290.265 3.575 50 30 CHEARN Cc1ccc(C)c(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000007041977 170263664 /nfs/dbraw/zinc/26/36/64/170263664.db2.gz WLDBGSLCNKHPEP-AWEZNQCLSA-N 0 0 293.370 3.614 50 30 CHEARN CSc1nc2c(c(C(F)(F)F)c1C#N)CCCC2 ZINC000007276681 170276073 /nfs/dbraw/zinc/27/60/73/170276073.db2.gz WVYTVCMUGWSLRI-UHFFFAOYSA-N 0 0 272.295 3.573 50 30 CHEARN N#Cc1ccsc1NC(=O)Cc1ccc2c(c1)CCCC2 ZINC000007777800 170301749 /nfs/dbraw/zinc/30/17/49/170301749.db2.gz ZYDGYALPSNLACB-UHFFFAOYSA-N 0 0 296.395 3.680 50 30 CHEARN N#Cc1cccc(NC(=O)c2ccc(Cl)cc2F)c1 ZINC000007956116 170310099 /nfs/dbraw/zinc/31/00/99/170310099.db2.gz SUMPLSPZEIPPPF-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN CCOc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)cc1 ZINC000008321625 170330820 /nfs/dbraw/zinc/33/08/20/170330820.db2.gz TZGNEVUKOAPSFS-KPKJPENVSA-N 0 0 277.323 3.853 50 30 CHEARN O=C1C=C(Nc2ccc(O)cc2)C[C@H](c2ccccc2)C1 ZINC000008436308 170336519 /nfs/dbraw/zinc/33/65/19/170336519.db2.gz WWFNYGQCDXPGQR-AWEZNQCLSA-N 0 0 279.339 3.835 50 30 CHEARN Cc1c(Cl)cccc1NC(=S)NCc1cccn1C ZINC000008683063 170345574 /nfs/dbraw/zinc/34/55/74/170345574.db2.gz YXBWIGKJSWRGRW-UHFFFAOYSA-N 0 0 293.823 3.885 50 30 CHEARN CCc1cccc(C)c1Nc1nnc(SCC#N)s1 ZINC000009468841 170377575 /nfs/dbraw/zinc/37/75/75/170377575.db2.gz LTQJKNUZJZMLQX-UHFFFAOYSA-N 0 0 290.417 3.768 50 30 CHEARN C=CCOc1ccccc1NC(=O)c1cccs1 ZINC000009815017 170385917 /nfs/dbraw/zinc/38/59/17/170385917.db2.gz NWDZGOUJBLPJSC-UHFFFAOYSA-N 0 0 259.330 3.565 50 30 CHEARN C=CCOc1ccccc1NC(=O)c1ccccc1C ZINC000009814871 170386129 /nfs/dbraw/zinc/38/61/29/170386129.db2.gz CCJQOLJCNRCJDN-UHFFFAOYSA-N 0 0 267.328 3.812 50 30 CHEARN C=C(C)COc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000009877479 170388260 /nfs/dbraw/zinc/38/82/60/170388260.db2.gz MCGVDHHVSGXFQL-UHFFFAOYSA-N 0 0 297.354 3.902 50 30 CHEARN Cc1ccc(CCC(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000010434324 170406330 /nfs/dbraw/zinc/40/63/30/170406330.db2.gz AXEFEFYFUTVALU-UHFFFAOYSA-N 0 0 278.355 3.632 50 30 CHEARN COc1ccc2c(c1)C(=O)/C(=C/c1cccc(C)c1)CO2 ZINC000012773015 170509542 /nfs/dbraw/zinc/50/95/42/170509542.db2.gz DNIMPBILJRVAPE-NTEUORMPSA-N 0 0 280.323 3.662 50 30 CHEARN N#Cc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1 ZINC000012980266 170525020 /nfs/dbraw/zinc/52/50/20/170525020.db2.gz REBXUIKNCVXETR-RUDMXATFSA-N 0 0 251.260 3.593 50 30 CHEARN N#Cc1ccc(NC(=O)C2CCCCC2)c(Cl)c1 ZINC000019897702 170910937 /nfs/dbraw/zinc/91/09/37/170910937.db2.gz RLGOPKOGNRLRGK-UHFFFAOYSA-N 0 0 262.740 3.730 50 30 CHEARN Cc1c(-c2ccccc2)nc(N)c(C#N)c1-c1cccnc1 ZINC000020331720 171151552 /nfs/dbraw/zinc/15/15/52/171151552.db2.gz ZERSZOAGUTZGFS-UHFFFAOYSA-N 0 0 286.338 3.573 50 30 CHEARN CNc1nccc(-c2cccc(C(F)(F)F)c2)c1C#N ZINC000020405711 171182625 /nfs/dbraw/zinc/18/26/25/171182625.db2.gz CCUJZBPSNVFFGI-UHFFFAOYSA-N 0 0 277.249 3.681 50 30 CHEARN N#Cc1ccccc1OC(=O)CCc1ccccc1Cl ZINC000021358296 171303239 /nfs/dbraw/zinc/30/32/39/171303239.db2.gz KUWSDOSJIVTYRH-UHFFFAOYSA-N 0 0 285.730 3.750 50 30 CHEARN COc1cc2c(Cl)c(C#N)cnc2cc1OC(C)C ZINC000022012775 171349040 /nfs/dbraw/zinc/34/90/40/171349040.db2.gz GILOYPJGILGLIT-UHFFFAOYSA-N 0 0 276.723 3.556 50 30 CHEARN O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccoc1 ZINC000022528573 171390370 /nfs/dbraw/zinc/39/03/70/171390370.db2.gz OIAYVUWHUIXYKF-UHFFFAOYSA-N 0 0 293.347 3.993 50 30 CHEARN Nc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)cc1 ZINC000022865166 171401998 /nfs/dbraw/zinc/40/19/98/171401998.db2.gz JPEHXBDIMAIPEA-JXMROGBWSA-N 0 0 262.312 3.646 50 30 CHEARN Cc1c(/C=C\C(=O)c2ccc(Cl)cc2)cc(C#N)n1C ZINC000035387127 172169222 /nfs/dbraw/zinc/16/92/22/172169222.db2.gz AYZRTKCGYCUZQL-YVMONPNESA-N 0 0 284.746 3.755 50 30 CHEARN COc1ccc(Nc2c(C#N)cnc3ccccc32)cc1 ZINC000036913126 172799442 /nfs/dbraw/zinc/79/94/42/172799442.db2.gz GOJJGZBVDFDGBO-UHFFFAOYSA-N 0 0 275.311 3.859 50 30 CHEARN O=C1N=C(Nc2ccccc2)C(=Cc2cccnc2)S1 ZINC000039886226 174174394 /nfs/dbraw/zinc/17/43/94/174174394.db2.gz DTRIAKVYMPLXNO-LCYFTJDESA-N 0 0 281.340 3.609 50 30 CHEARN C=CCSc1ccccc1NC(=O)c1cccnc1 ZINC000039978252 174181249 /nfs/dbraw/zinc/18/12/49/174181249.db2.gz OQATUWTUWIZZBR-UHFFFAOYSA-N 0 0 270.357 3.612 50 30 CHEARN N#Cc1cccnc1NCC1(c2ccccc2)CCCC1 ZINC000040023369 174183244 /nfs/dbraw/zinc/18/32/44/174183244.db2.gz ISBSQUVGGQQJAR-UHFFFAOYSA-N 0 0 277.371 3.877 50 30 CHEARN C=CCSc1ccccc1NC(=O)N[C@H](C)CC ZINC000040104116 174191162 /nfs/dbraw/zinc/19/11/62/174191162.db2.gz MAEFWVMURVOOKM-LLVKDONJSA-N 0 0 264.394 3.885 50 30 CHEARN Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(C)c(C)c1 ZINC000040139554 174194169 /nfs/dbraw/zinc/19/41/69/174194169.db2.gz NLBDRPJIARGSKD-BQYQJAHWSA-N 0 0 254.333 3.539 50 30 CHEARN C=C(C)CN(CC)C(=O)c1nc(-c2cccs2)oc1C ZINC000040529919 174316309 /nfs/dbraw/zinc/31/63/09/174316309.db2.gz NELRNGNAECTXEY-UHFFFAOYSA-N 0 0 290.388 3.750 50 30 CHEARN C=CCNC(=O)Nc1nc2c(ccc(Cl)c2C)s1 ZINC000044224891 175154761 /nfs/dbraw/zinc/15/47/61/175154761.db2.gz IODQOLUUWLQTSB-UHFFFAOYSA-N 0 0 281.768 3.566 50 30 CHEARN COc1cccc(/C=N/c2cc(F)ccc2Cl)c1O ZINC000044835934 175262384 /nfs/dbraw/zinc/26/23/84/175262384.db2.gz SRFYFIOBEHXDDH-CAOOACKPSA-N 0 0 279.698 3.944 50 30 CHEARN C=C(Br)CCCc1ccc(OC)cc1 ZINC000045028331 175293266 /nfs/dbraw/zinc/29/32/66/175293266.db2.gz OJGVMPSFKRKZBV-UHFFFAOYSA-N 0 0 255.155 3.927 50 30 CHEARN Cc1ccc2[nH]c(C(=O)Nc3ccc(C#N)cc3)cc2c1 ZINC000046007413 175389782 /nfs/dbraw/zinc/38/97/82/175389782.db2.gz CFOLXYVJRZCWCL-UHFFFAOYSA-N 0 0 275.311 3.600 50 30 CHEARN Cc1ccsc1-c1cc(-c2ccc[nH]2)nc(N)c1C#N ZINC000071639104 176238658 /nfs/dbraw/zinc/23/86/58/176238658.db2.gz GMUXMZMUUVZKRD-UHFFFAOYSA-N 0 0 280.356 3.568 50 30 CHEARN Cc1[nH]c2ccc(CNc3cc(C#N)ccn3)cc2c1C ZINC000071747198 176258829 /nfs/dbraw/zinc/25/88/29/176258829.db2.gz SKMVTKOKGQCQEJ-UHFFFAOYSA-N 0 0 276.343 3.664 50 30 CHEARN Cc1n[nH]c(C)c1CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000078806377 177391200 /nfs/dbraw/zinc/39/12/00/177391200.db2.gz CAYSJLBLTFMAAY-UHFFFAOYSA-N 0 0 294.280 3.529 50 30 CHEARN N#Cc1ccccc1OCc1cc(-c2cccs2)on1 ZINC000014157401 260078697 /nfs/dbraw/zinc/07/86/97/260078697.db2.gz ZITZYXRYZYVUFH-UHFFFAOYSA-N 0 0 282.324 3.854 50 30 CHEARN O=C(Nc1ccccc1C#Cc1ccccc1)c1cccnc1 ZINC000000228090 227290716 /nfs/dbraw/zinc/29/07/16/227290716.db2.gz RQEAJAOXUYEVJA-UHFFFAOYSA-N 0 0 298.345 3.734 50 30 CHEARN Cc1ccc(C=NOC(=O)Nc2ccccc2)c(C)c1 ZINC000002532680 260009571 /nfs/dbraw/zinc/00/95/71/260009571.db2.gz BBBPDSHRRQFXQD-GZTJUZNOSA-N 0 0 268.316 3.886 50 30 CHEARN C/C(=N\O)c1ccc(OCc2cccc(C)c2)cc1 ZINC000020006351 260115751 /nfs/dbraw/zinc/11/57/51/260115751.db2.gz WSCAIHOZSKTGJO-GHRIWEEISA-N 0 0 255.317 3.772 50 30 CHEARN CC(C)Oc1cncc(C(=O)N[C@]2(C)CC=CCC2)c1 ZINC000331338380 264194722 /nfs/dbraw/zinc/19/47/22/264194722.db2.gz JKBOKFXSZSDBBV-MRXNPFEDSA-N 0 0 274.364 3.672 50 30 CHEARN N#C[C@H](c1ccc(Cl)cc1)c1cnnc2ccccc21 ZINC000252497634 328105783 /nfs/dbraw/zinc/10/57/83/328105783.db2.gz QLLMXSSXJFUEKP-CQSZACIVSA-N 0 0 279.730 3.939 50 30 CHEARN N#CCCCCCCC(=O)c1cccnc1Cl ZINC000002392724 326797172 /nfs/dbraw/zinc/79/71/72/326797172.db2.gz RKAWYAMDRRQJIK-UHFFFAOYSA-N 0 0 250.729 3.782 50 30 CHEARN CC1(C)[C@H]2CC[C@]13O[C@@H]3C[C@H]1CCCC[C@H]1C(=O)C2 ZINC000071786505 328754978 /nfs/dbraw/zinc/75/49/78/328754978.db2.gz RIWWPTPGOLXNKF-OOKGIHQLSA-N 0 0 262.393 3.730 50 30 CHEARN Cc1ccc(N=Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000254525290 328757660 /nfs/dbraw/zinc/75/76/60/328757660.db2.gz DBDZIKXNGYFZNF-UHFFFAOYSA-N 0 0 254.289 3.962 50 30 CHEARN C[C@H](NC(=O)CC#N)c1ccc(Oc2ccccc2)cc1 ZINC000097377928 329527337 /nfs/dbraw/zinc/52/73/37/329527337.db2.gz BAZPUONGXHGAFN-ZDUSSCGKSA-N 0 0 280.327 3.570 50 30 CHEARN C[C@@H](NC(=O)CC#N)c1ccc(Oc2ccccc2)cc1 ZINC000097377929 329527369 /nfs/dbraw/zinc/52/73/69/329527369.db2.gz BAZPUONGXHGAFN-CYBMUJFWSA-N 0 0 280.327 3.570 50 30 CHEARN CSc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1 ZINC000019857365 518175371 /nfs/dbraw/zinc/17/53/71/518175371.db2.gz OKUMPNLXKDAYCB-UHFFFAOYSA-N 0 0 295.411 3.803 50 30 CHEARN CC(C)(C#N)C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000058293595 518506636 /nfs/dbraw/zinc/50/66/36/518506636.db2.gz HSCSQMPUSUXSGG-UHFFFAOYSA-N 0 0 285.391 3.919 50 30 CHEARN CCN(CCCC1(C#N)CCOCC1)c1ccc(F)cc1 ZINC000330032923 521001065 /nfs/dbraw/zinc/00/10/65/521001065.db2.gz UXOCCVVLTZZJGY-UHFFFAOYSA-N 0 0 290.382 3.753 50 30 CHEARN CCc1sc(NC(=O)CC#N)nc1-c1ccc(C)cc1C ZINC000072333507 523075710 /nfs/dbraw/zinc/07/57/10/523075710.db2.gz ZCUFVWHYVVSCGF-UHFFFAOYSA-N 0 0 299.399 3.842 50 30 CHEARN Cc1ccc(CN(CCC#N)Cc2cccnc2)cc1C ZINC000159059856 524404342 /nfs/dbraw/zinc/40/43/42/524404342.db2.gz PJBMZXZPJNVSSR-UHFFFAOYSA-N 0 0 279.387 3.614 50 30 CHEARN C[C@H]1C[C@H](Nc2cc(C#N)ccc2C(F)(F)F)CCO1 ZINC000274761536 524931001 /nfs/dbraw/zinc/93/10/01/524931001.db2.gz RQXLDPQGDLAXLE-GXSJLCMTSA-N 0 0 284.281 3.556 50 30 CHEARN COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)c1 ZINC000005073241 525779189 /nfs/dbraw/zinc/77/91/89/525779189.db2.gz LABXLRQBRJUXNG-VQHVLOKHSA-N 0 0 298.338 3.609 50 30 CHEARN Cc1ccc2c(c1)C(=O)/C(=C\c1cccs1)CO2 ZINC000006174033 526136386 /nfs/dbraw/zinc/13/63/86/526136386.db2.gz FYZQQQPKRCSGSW-FLIBITNWSA-N 0 0 256.326 3.715 50 30 CHEARN N#CCC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000072333504 526443535 /nfs/dbraw/zinc/44/35/35/526443535.db2.gz DIHLRTDNJORYKT-UHFFFAOYSA-N 0 0 297.383 3.541 50 30 CHEARN CC(=O)Nc1ccc(C)cc1NCc1cc(C#N)ccc1F ZINC000096453531 526961273 /nfs/dbraw/zinc/96/12/73/526961273.db2.gz JDDNXSQZVFFUBS-UHFFFAOYSA-N 0 0 297.333 3.576 50 30 CHEARN CCCCCCCCNC(=O)c1c(OC)cccc1OC ZINC000097941780 528129505 /nfs/dbraw/zinc/12/95/05/528129505.db2.gz BPFJGXZQTJHTTL-UHFFFAOYSA-N 0 0 293.407 3.794 50 30 CHEARN CC[C@H](O)c1ccc(OCCCC(C)(C)C#N)cc1 ZINC000084734127 566886957 /nfs/dbraw/zinc/88/69/57/566886957.db2.gz GLVGUSCMRFDVDH-HNNXBMFYSA-N 0 0 261.365 3.839 50 30 CHEARN C=CCn1c(C)csc1=Nc1ccc(Cl)cc1 ZINC000254744654 567897000 /nfs/dbraw/zinc/89/70/00/567897000.db2.gz ZREVMYISDDSOKX-UHFFFAOYSA-N 0 0 264.781 3.930 50 30 CHEARN Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000001067153 566838550 /nfs/dbraw/zinc/83/85/50/566838550.db2.gz DBJQFJPOFUQNCV-ZDUSSCGKSA-N 0 0 296.395 3.986 50 30 CHEARN N#Cc1ccccc1NC(=O)Cc1c(F)cccc1Cl ZINC000001049066 566838849 /nfs/dbraw/zinc/83/88/49/566838849.db2.gz HKNSOPAZTOCVIG-UHFFFAOYSA-N 0 0 288.709 3.532 50 30 CHEARN CC[C@@H](C)N(CC#Cc1ccccc1)Cc1nccs1 ZINC000055211133 566868682 /nfs/dbraw/zinc/86/86/82/566868682.db2.gz AIJMWEMDJPEIAC-OAHLLOKOSA-N 0 0 284.428 3.795 50 30 CHEARN CCCCN(C(=O)c1cc(C#N)cs1)[C@H](C)CC ZINC000084076867 566878408 /nfs/dbraw/zinc/87/84/08/566878408.db2.gz BJKMYIIIFQHSLE-LLVKDONJSA-N 0 0 264.394 3.661 50 30 CHEARN C#CCn1c(CSc2ccccc2)nc2ccccc21 ZINC000004385925 566888368 /nfs/dbraw/zinc/88/83/68/566888368.db2.gz CGYJFXRFEIBHKT-UHFFFAOYSA-N 0 0 278.380 3.962 50 30 CHEARN CSC(=CC(=O)c1ccco1)[C@@H](C)C(=O)c1ccco1 ZINC000035086092 566894197 /nfs/dbraw/zinc/89/41/97/566894197.db2.gz CGSPMRHKGSMVIM-GMROUXNLSA-N 0 0 290.340 3.821 50 30 CHEARN C=CCn1c2ccccc2nc1NCc1ccc(OC)cc1 ZINC000000617076 566898690 /nfs/dbraw/zinc/89/86/90/566898690.db2.gz SWIVYQUTPQGRRH-UHFFFAOYSA-N 0 0 293.370 3.843 50 30 CHEARN OC(C#Cc1ccccc1)(c1ccccc1)c1ccccc1 ZINC000001226870 566898749 /nfs/dbraw/zinc/89/87/49/566898749.db2.gz VWRQCJRTHKUVNF-UHFFFAOYSA-N 0 0 284.358 3.974 50 30 CHEARN C=CCOc1nsnc1-c1ccc(Br)cc1 ZINC000075286071 566940493 /nfs/dbraw/zinc/94/04/93/566940493.db2.gz YBHPETYVZWIPOH-UHFFFAOYSA-N 0 0 297.177 3.532 50 30 CHEARN O=C(/C=C/c1ccc2nccnc2c1)c1ccsc1 ZINC000013014133 566952519 /nfs/dbraw/zinc/95/25/19/566952519.db2.gz RETOKEQQFUPVLC-DUXPYHPUSA-N 0 0 266.325 3.587 50 30 CHEARN Cc1sc(NC(=O)c2ccc(Cl)o2)c(C#N)c1C ZINC000013012654 566957770 /nfs/dbraw/zinc/95/77/70/566957770.db2.gz SKZGTNKKODNNEE-UHFFFAOYSA-N 0 0 280.736 3.735 50 30 CHEARN Cc1nc2ccccc2nc1Oc1cccc(C#N)c1 ZINC000013007261 566958879 /nfs/dbraw/zinc/95/88/79/566958879.db2.gz LDUUVQCFWOJFQP-UHFFFAOYSA-N 0 0 261.284 3.602 50 30 CHEARN COc1cccc2cc([C@H](C)Nc3ccc(C#N)cn3)oc21 ZINC000026713248 566964563 /nfs/dbraw/zinc/96/45/63/566964563.db2.gz QZXQVYCZJSTMNH-NSHDSACASA-N 0 0 293.326 3.881 50 30 CHEARN Cc1sc2ncnc(N=NCc3cccs3)c2c1C ZINC000245241345 566969051 /nfs/dbraw/zinc/96/90/51/566969051.db2.gz ASKASIPSPQHLCS-UHFFFAOYSA-N 0 0 288.401 3.816 50 30 CHEARN CCOc1cc(C#N)cc(Cl)c1OCC=C(C)C ZINC000016490230 566969226 /nfs/dbraw/zinc/96/92/26/566969226.db2.gz REZAHFULSUXDRX-UHFFFAOYSA-N 0 0 265.740 3.955 50 30 CHEARN Cc1cccc(C2=CCN(C[C@H](C#N)CCC#N)CC2)c1 ZINC000092821824 566970971 /nfs/dbraw/zinc/97/09/71/566970971.db2.gz DBTKCDGUOATRRV-INIZCTEOSA-N 0 0 279.387 3.528 50 30 CHEARN CCOc1ccc(Nc2nc(C)cc(C)c2C#N)cc1 ZINC000006508053 566977168 /nfs/dbraw/zinc/97/71/68/566977168.db2.gz KXBUOKPZGWNLDJ-UHFFFAOYSA-N 0 0 267.332 3.712 50 30 CHEARN CCn1cc(-c2ccc(C(C)(C)C#N)cc2)c(C)n1 ZINC000426445171 566987601 /nfs/dbraw/zinc/98/76/01/566987601.db2.gz VVGSUNDRHOTVLF-UHFFFAOYSA-N 0 0 253.349 3.680 50 30 CHEARN N#Cc1ccccc1CN1CCC[C@@H]1c1ccsc1 ZINC000036393218 567002043 /nfs/dbraw/zinc/00/20/43/567002043.db2.gz QBWQWTQNUGMRSG-MRXNPFEDSA-N 0 0 268.385 3.957 50 30 CHEARN C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(C#N)c1 ZINC000036397429 567002118 /nfs/dbraw/zinc/00/21/18/567002118.db2.gz BWQPIQJAOUICRF-LBPRGKRZSA-N 0 0 298.773 3.573 50 30 CHEARN O=C(/C=C/c1csnn1)c1nc(-c2ccccc2)cs1 ZINC000065611705 567012169 /nfs/dbraw/zinc/01/21/69/567012169.db2.gz RVZZKPQMVLKFJQ-VOTSOKGWSA-N 0 0 299.380 3.558 50 30 CHEARN N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000075964348 567026786 /nfs/dbraw/zinc/02/67/86/567026786.db2.gz VIHBOLJUFLYDEF-JKSUJKDBSA-N 0 0 299.443 3.544 50 30 CHEARN COc1cc(C=Nc2ccc(C)cc2)ccc1OC(C)=O ZINC000252460885 567051512 /nfs/dbraw/zinc/05/15/12/567051512.db2.gz IVUXUCHVGICNLP-UHFFFAOYSA-N 0 0 283.327 3.680 50 30 CHEARN COc1ccc([N+](=O)[O-])cc1N=Cc1sccc1C ZINC000252461139 567052273 /nfs/dbraw/zinc/05/22/73/567052273.db2.gz KYAJECFHKXAOPF-UHFFFAOYSA-N 0 0 276.317 3.724 50 30 CHEARN Cc1[nH]nc(N=Cc2ccccc2O)c1-c1ccccc1 ZINC000252605375 567065278 /nfs/dbraw/zinc/06/52/78/567065278.db2.gz GJZJUFRNCDUJKW-UHFFFAOYSA-N 0 0 277.327 3.841 50 30 CHEARN Cc1cccc(C(=O)N=C2C=C(C(C)C)C(=O)C=C2C)c1 ZINC000252622330 567067529 /nfs/dbraw/zinc/06/75/29/567067529.db2.gz NSTDYCQWOZFCGO-UHFFFAOYSA-N 0 0 281.355 3.688 50 30 CHEARN O=C(/C=C/c1ccccc1)ON=Cc1ccc(Cl)cc1 ZINC000252618587 567067537 /nfs/dbraw/zinc/06/75/37/567067537.db2.gz LHYGNEPQWCAIKH-UYXHRJIPSA-N 0 0 285.730 3.931 50 30 CHEARN CC1=CC(=NNC(=S)Nc2cc(C)ccc2C)CC1 ZINC000254350345 567112153 /nfs/dbraw/zinc/11/21/53/567112153.db2.gz PZGSMRKQVBEKJV-UHFFFAOYSA-N 0 0 273.405 3.686 50 30 CHEARN N#Cc1c(Cl)c2cc(F)ccc2nc1C(F)(F)F ZINC000066331900 567112761 /nfs/dbraw/zinc/11/27/61/567112761.db2.gz AIFZGEYWEQSQBZ-UHFFFAOYSA-N 0 0 274.604 3.918 50 30 CHEARN O=C1/C(=C\c2ccc(Cl)cc2Cl)N2CCC1CC2 ZINC000013111647 567116232 /nfs/dbraw/zinc/11/62/32/567116232.db2.gz FPHYQQZKQIBTNA-NTUHNPAUSA-N 0 0 282.170 3.629 50 30 CHEARN CCCC(C)(C)NC(=O)[C@H]1CCO[C@@H]1c1cnn(CC)c1 ZINC000328591520 567118118 /nfs/dbraw/zinc/11/81/18/567118118.db2.gz SDHVQCXYMSDQDB-UONOGXRCSA-N 0 0 293.411 3.516 50 30 CHEARN N#Cc1ccccc1C(=O)CCc1ccc(F)cc1 ZINC000002517374 567120967 /nfs/dbraw/zinc/12/09/67/567120967.db2.gz NYZRUQOFGDTFKK-UHFFFAOYSA-N 0 0 253.276 3.513 50 30 CHEARN C[C@@H](C#N)CNC(=O)Nc1cccc(-c2ccsc2)c1 ZINC000095410887 567129022 /nfs/dbraw/zinc/12/90/22/567129022.db2.gz BBSXBXSELNKIPQ-NSHDSACASA-N 0 0 285.372 3.696 50 30 CHEARN COc1cc2c(c(CNc3ccc(C#N)cc3)c1)O[C@@H](C)C2 ZINC000095456993 567134698 /nfs/dbraw/zinc/13/46/98/567134698.db2.gz PEXUCCSAXIFIFM-LBPRGKRZSA-N 0 0 294.354 3.502 50 30 CHEARN COc1cc(/C=C\C(=O)c2cccnc2)ccc1SC ZINC000096313939 567140483 /nfs/dbraw/zinc/14/04/83/567140483.db2.gz GQNWCRNVDHSTPB-ALCCZGGFSA-N 0 0 285.368 3.708 50 30 CHEARN C=CCn1c(CNc2cccc(Cl)c2C)n[nH]c1=S ZINC000002469703 567145612 /nfs/dbraw/zinc/14/56/12/567145612.db2.gz GCLDEFJGCAMIGA-UHFFFAOYSA-N 0 0 294.811 3.701 50 30 CHEARN C=CCCC(=O)N1CCc2cc(-c3ccncc3)ccc21 ZINC000225637892 567145738 /nfs/dbraw/zinc/14/57/38/567145738.db2.gz HZEBTKUHPYMSFB-UHFFFAOYSA-N 0 0 278.355 3.604 50 30 CHEARN Cc1sc2ncnc(Oc3ccccc3C#N)c2c1C ZINC000002643950 567151166 /nfs/dbraw/zinc/15/11/66/567151166.db2.gz NMFZQGDJMIKREQ-UHFFFAOYSA-N 0 0 281.340 3.972 50 30 CHEARN COP(=O)(Cc1oc(-c2ccccc2)cc1C#N)OC ZINC000003155718 567160247 /nfs/dbraw/zinc/16/02/47/567160247.db2.gz SQWZIEGURXMOCM-UHFFFAOYSA-N 0 0 291.243 3.804 50 30 CHEARN CC(C)(C)c1ccc(C(=O)N(CC#N)C2CCCC2)cc1 ZINC000057593801 567161214 /nfs/dbraw/zinc/16/12/14/567161214.db2.gz DQLAMOPXBUPPFK-UHFFFAOYSA-N 0 0 284.403 3.892 50 30 CHEARN CCc1ccc(CCC(=O)N(C)c2cccc(C#N)c2)cc1 ZINC000058008731 567168482 /nfs/dbraw/zinc/16/84/82/567168482.db2.gz CSQBYYIUWKAPHW-UHFFFAOYSA-N 0 0 292.382 3.716 50 30 CHEARN N#Cc1ccc(OC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000003335410 567170246 /nfs/dbraw/zinc/17/02/46/567170246.db2.gz QMHXNDKFGOVRPY-UHFFFAOYSA-N 0 0 291.228 3.796 50 30 CHEARN CCn1c(S[C@H](C)C#N)nnc1-c1ccc(Cl)cc1 ZINC000003498971 567176057 /nfs/dbraw/zinc/17/60/57/567176057.db2.gz HQWDKVSXLMEFJF-SECBINFHSA-N 0 0 292.795 3.623 50 30 CHEARN CSc1cccc(NC(=O)c2ccc(C#N)cc2)c1 ZINC000003548790 567177473 /nfs/dbraw/zinc/17/74/73/567177473.db2.gz VVWGQJSXPLHPIQ-UHFFFAOYSA-N 0 0 268.341 3.532 50 30 CHEARN Fc1ccc(Cl)cc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000003909413 567181963 /nfs/dbraw/zinc/18/19/63/567181963.db2.gz GIJMPQLMIVNKMV-CAOOACKPSA-N 0 0 288.713 3.801 50 30 CHEARN C=C(C)[C@H]1Cc2c(C)nn(C(=O)/C=C/c3ccccc3)c2C1 ZINC000004026524 567185645 /nfs/dbraw/zinc/18/56/45/567185645.db2.gz GURCTJFTCBNJBJ-SCOAYWHSSA-N 0 0 292.382 3.836 50 30 biogenic CHEARN CN(CCC#N)c1ncnc2scc(-c3ccccc3)c21 ZINC000004295531 567193079 /nfs/dbraw/zinc/19/30/79/567193079.db2.gz OFBBFPIEKKOPBS-UHFFFAOYSA-N 0 0 294.383 3.708 50 30 CHEARN CSc1ccc(CC(=O)Nc2sccc2C#N)cc1 ZINC000010252366 567204328 /nfs/dbraw/zinc/20/43/28/567204328.db2.gz PLWJSVJOMUVEHU-UHFFFAOYSA-N 0 0 288.397 3.523 50 30 CHEARN N#CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000120203 567818679 /nfs/dbraw/zinc/81/86/79/567818679.db2.gz YXGWYBUKRTYHJM-UHFFFAOYSA-N 0 0 253.145 3.790 50 30 CHEARN CC1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 ZINC000000139153 567819568 /nfs/dbraw/zinc/81/95/68/567819568.db2.gz YRIGLRKCKHBJHZ-UHFFFAOYSA-N 0 0 288.387 3.939 50 30 CHEARN O=C(C=NNc1ccc(Cl)cc1)c1ccccc1 ZINC000000133507 567819849 /nfs/dbraw/zinc/81/98/49/567819849.db2.gz WJGVUDNBBYSPTK-MHWRWJLKSA-N 0 0 258.708 3.621 50 30 CHEARN OCCc1ccc(/N=C/c2c(O)ccc3ccccc32)cc1 ZINC000000230437 567822488 /nfs/dbraw/zinc/82/24/88/567822488.db2.gz FNLJRXGUQPEDQP-DEDYPNTBSA-N 0 0 291.350 3.831 50 30 CHEARN Cc1c(Cl)cccc1NC=C1C(=O)CC(C)(C)CC1=O ZINC000000257537 567823253 /nfs/dbraw/zinc/82/32/53/567823253.db2.gz JTBHGLYBCFQLGL-UHFFFAOYSA-N 0 0 291.778 3.902 50 30 CHEARN Ic1ccc(/N=C/c2ccco2)cc1 ZINC000000354636 567826256 /nfs/dbraw/zinc/82/62/56/567826256.db2.gz UOSJBQOMEFRLTR-MDWZMJQESA-N 0 0 297.095 3.635 50 30 CHEARN CC1=Cc2ccccc2[C@H](C#N)N1C(=O)c1ccccc1 ZINC000000478192 567832602 /nfs/dbraw/zinc/83/26/02/567832602.db2.gz XZDFOLUDAFZNQX-KRWDZBQOSA-N 0 0 274.323 3.768 50 30 CHEARN C[C@@]1(C(Cl)(Cl)Cl)C=C(Cl)C(=O)C(=O)C1 ZINC000002028949 567843895 /nfs/dbraw/zinc/84/38/95/567843895.db2.gz YJQLSFSYWYXFIM-SSDOTTSWSA-N 0 0 275.946 3.510 50 30 CHEARN O=C(C=CNc1ccc(Br)cc1)C(F)(F)F ZINC000002386448 567845740 /nfs/dbraw/zinc/84/57/40/567845740.db2.gz VBODWDWEPNVSJO-AATRIKPKSA-N 0 0 294.070 3.506 50 30 CHEARN N#CCOc1ccc2ccccc2c1Br ZINC000002561783 567848169 /nfs/dbraw/zinc/84/81/69/567848169.db2.gz WHXAJTSNJRDSKK-UHFFFAOYSA-N 0 0 262.106 3.505 50 30 CHEARN CCCCCCC[C@]1(C)NC(=O)N(c2ccccc2)N1 ZINC000002902002 567850739 /nfs/dbraw/zinc/85/07/39/567850739.db2.gz ILIBYIMPJMMEDV-MRXNPFEDSA-N 0 0 275.396 3.798 50 30 CHEARN Cc1ccccc1C(=O)O/N=C1/C=C(C(C)C)C(=O)C=C1C ZINC000003121158 567851657 /nfs/dbraw/zinc/85/16/57/567851657.db2.gz CMOJHDQJJPIVEC-MNDPQUGUSA-N 0 0 297.354 3.619 50 30 CHEARN CN(C)c1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000004005918 567854695 /nfs/dbraw/zinc/85/46/95/567854695.db2.gz MAUZGQVCAOWWHD-DHZHZOJOSA-N 0 0 296.326 3.557 50 30 CHEARN N#C[C@@H](C(=O)c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000004183999 567855809 /nfs/dbraw/zinc/85/58/09/567855809.db2.gz URVURLUGSHDFJT-LBPRGKRZSA-N 0 0 296.326 3.925 50 30 CHEARN N#CCCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1 ZINC000004325328 567856880 /nfs/dbraw/zinc/85/68/80/567856880.db2.gz LURVJZOZVZBQSI-UHFFFAOYSA-N 0 0 298.773 3.896 50 30 CHEARN CC(C)CC(C1C(=O)CCCC1=O)C1C(=O)CCCC1=O ZINC000004381042 567857466 /nfs/dbraw/zinc/85/74/66/567857466.db2.gz RAZSTLIPGVZKEL-UHFFFAOYSA-N 0 0 292.375 3.779 50 30 CHEARN N#Cc1ccc(C(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000004331545 567862023 /nfs/dbraw/zinc/86/20/23/567862023.db2.gz RJYJWQDFHWGXPH-UHFFFAOYSA-N 0 0 297.314 3.559 50 30 CHEARN C[C@@H]1CCCC(N=NC(=S)Nc2ccccc2)C1 ZINC000012404025 567862974 /nfs/dbraw/zinc/86/29/74/567862974.db2.gz RQRCEVNKLAYFPF-IVDGFRAVSA-N 0 0 261.394 3.950 50 30 aggregator CHEARN C/C(=N\OC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000013556004 567866353 /nfs/dbraw/zinc/86/63/53/567866353.db2.gz USZMRMOXPZKKKA-IQXDWNFHSA-N 0 0 279.339 3.758 50 30 CHEARN N#Cc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1 ZINC000032727000 567866614 /nfs/dbraw/zinc/86/66/14/567866614.db2.gz PFANBYVHWXKCRA-UHFFFAOYSA-N 0 0 280.371 3.569 50 30 CHEARN Cc1cc(C)cc(NC(=S)NCc2ccncc2)c1 ZINC000013684250 567867249 /nfs/dbraw/zinc/86/72/49/567867249.db2.gz FONKDHZMNZCADW-UHFFFAOYSA-N 0 0 271.389 3.596 50 30 CHEARN Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000004454700 567868000 /nfs/dbraw/zinc/86/80/00/567868000.db2.gz BCSSMXAMEIDLKP-UHFFFAOYSA-N 0 0 282.368 3.669 50 30 CHEARN COc1cccc2c1N(Cc1cccc(C#N)c1)CCC2 ZINC000032825429 567868736 /nfs/dbraw/zinc/86/87/36/567868736.db2.gz BDEPKUFFAAZOFG-UHFFFAOYSA-N 0 0 278.355 3.520 50 30 CHEARN N#Cc1cc2nc3ccc4ccccc4c3nc2cc1C#N ZINC000004510548 567868861 /nfs/dbraw/zinc/86/88/61/567868861.db2.gz RERIHEAJSHPHIR-UHFFFAOYSA-N 0 0 280.290 3.680 50 30 CHEARN Cc1ccc(C(=O)C=CNc2ccc(Cl)cn2)cc1 ZINC000015686562 567871035 /nfs/dbraw/zinc/87/10/35/567871035.db2.gz OSESGYKFSNGMFI-HJWRWDBZSA-N 0 0 272.735 3.852 50 30 CHEARN COc1ccc(C(=O)C=CNc2ccc(C)cc2)cc1 ZINC000015745713 567871398 /nfs/dbraw/zinc/87/13/98/567871398.db2.gz OXYIAXLYMBARAN-QXMHVHEDSA-N 0 0 267.328 3.812 50 30 CHEARN COc1ccc(/C(C)=N/N(C)c2ccccc2)cc1OC ZINC000004579229 567871714 /nfs/dbraw/zinc/87/17/14/567871714.db2.gz NRHOGYXJSGIJJD-QGOAFFKASA-N 0 0 284.359 3.564 50 30 CHEARN Cc1cccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000032912664 567872140 /nfs/dbraw/zinc/87/21/40/567872140.db2.gz AFLPFZYFZHGVKS-ZDUSSCGKSA-N 0 0 279.343 3.749 50 30 CHEARN Clc1cccc(Cl)c1/C=N/NC1=NCCCCC1 ZINC000016711839 567873726 /nfs/dbraw/zinc/87/37/26/567873726.db2.gz CLILYVNFIUCQNZ-RQZCQDPDSA-N 0 0 284.190 3.889 50 30 CHEARN Clc1ccc(/C=N/C[C@H]2COc3ccccc3O2)cc1 ZINC000016849517 567873787 /nfs/dbraw/zinc/87/37/87/567873787.db2.gz NBSGSSLVUGITLE-RMNBPEERSA-N 0 0 287.746 3.599 50 30 CHEARN Cc1ccc([C@H]2CC(=O)C=C(NCC(C)C)C2)cc1 ZINC000017480037 567875970 /nfs/dbraw/zinc/87/59/70/567875970.db2.gz SPVNJNOQQGJPTQ-OAHLLOKOSA-N 0 0 257.377 3.571 50 30 CHEARN COc1ccc2c(c1)C/C(=C\c1ccc(N(C)C)cc1)C2=O ZINC000036381220 567880870 /nfs/dbraw/zinc/88/08/70/567880870.db2.gz BRJSGBLBUQXGOD-XNTDXEJSSA-N 0 0 293.366 3.584 50 30 CHEARN C=CCOc1ccc(CN[C@@H](C)c2nccs2)cc1 ZINC000070942610 567885173 /nfs/dbraw/zinc/88/51/73/567885173.db2.gz SYYQTEGMTVPKLS-LBPRGKRZSA-N 0 0 274.389 3.559 50 30 CHEARN C=CCc1cccc(/C=N/c2ncccc2C)c1O ZINC000015637016 567886962 /nfs/dbraw/zinc/88/69/62/567886962.db2.gz HNNIZZUCVYXCBT-WOJGMQOQSA-N 0 0 252.317 3.575 50 30 CHEARN CC(C)c1ccc(-c2c(C#N)c(=O)[nH]c3c2CCCC3)cc1 ZINC000041482366 567891250 /nfs/dbraw/zinc/89/12/50/567891250.db2.gz HURVOFRTVCMSOM-UHFFFAOYSA-N 0 0 292.382 3.916 50 30 CHEARN Cc1csc(N=NC(C)c2ccc(Cl)cc2)n1 ZINC000004590774 567891662 /nfs/dbraw/zinc/89/16/62/567891662.db2.gz YOIFLPQBMXPFNP-OQLLNIDSSA-N 0 0 265.769 3.941 50 30 CHEARN CC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccc(F)cc1 ZINC000013635240 567893220 /nfs/dbraw/zinc/89/32/20/567893220.db2.gz VJYLMYJHNSSPIA-UHFFFAOYSA-N 0 0 286.331 3.933 50 30 CHEARN CCCCSc1nc2c(cc1C#N)N1CCC2CC1 ZINC000004622607 567894533 /nfs/dbraw/zinc/89/45/33/567894533.db2.gz IFSYZCGOEWENOJ-UHFFFAOYSA-N 0 0 273.405 3.543 50 30 CHEARN O=C(/C=C/c1csnn1)c1cc2cc(Cl)ccc2o1 ZINC000058208806 567895881 /nfs/dbraw/zinc/89/58/81/567895881.db2.gz JPHXVTBPYFRBOE-NSCUHMNNSA-N 0 0 290.731 3.834 50 30 CHEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]21C ZINC000003201935 567896615 /nfs/dbraw/zinc/89/66/15/567896615.db2.gz BFPYWIDHMRZLRN-MDMHHNQBSA-N 0 0 296.410 3.613 50 30 biogenic CHEARN N#CCc1cccc(OCCCc2ccccc2)c1 ZINC000062152110 567897244 /nfs/dbraw/zinc/89/72/44/567897244.db2.gz GVNMGAANBHGWTG-UHFFFAOYSA-N 0 0 251.329 3.764 50 30 CHEARN C[C@@H](CC#N)NC(=O)N(c1ccccc1)c1ccccc1 ZINC000097082761 567903995 /nfs/dbraw/zinc/90/39/95/567903995.db2.gz SZWMVHSGGDNHHO-AWEZNQCLSA-N 0 0 279.343 3.836 50 30 CHEARN NC(=CC(=O)C=Cc1cccs1)C(Cl)(Cl)Cl ZINC000100084842 567911581 /nfs/dbraw/zinc/91/15/81/567911581.db2.gz QCISWTCNBIFBRP-KXIWCOCFSA-N 0 0 296.606 3.543 50 30 CHEARN CCCCOC(=O)c1cccc2c1-c1ccccc1/C2=N/O ZINC000100177616 567912381 /nfs/dbraw/zinc/91/23/81/567912381.db2.gz CIBJSUFKVCUGGI-ZPHPHTNESA-N 0 0 295.338 3.851 50 30 CHEARN CC(=O)c1cccc(N=Cc2ccc(N(C)C)cc2)c1 ZINC000100496634 567913295 /nfs/dbraw/zinc/91/32/95/567913295.db2.gz HLQKQXMBUQLIRJ-LDADJPATSA-N 0 0 266.344 3.706 50 30 CHEARN CCCCCCCCCCC(=O)CC1OCCO1 ZINC000100605402 567913540 /nfs/dbraw/zinc/91/35/40/567913540.db2.gz XSJNLPXPEQAJOR-UHFFFAOYSA-N 0 0 256.386 3.849 50 30 CHEARN N#Cc1ccsc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000014626687 567922886 /nfs/dbraw/zinc/92/28/86/567922886.db2.gz SGACCURESXSWGH-UHFFFAOYSA-N 0 0 298.701 3.804 50 30 CHEARN O=C1c2ccccc2S/C1=C\c1cccc(O)c1 ZINC000000120409 567923302 /nfs/dbraw/zinc/92/33/02/567923302.db2.gz BFUUZIFYPIZRJV-ZROIWOOFSA-N 0 0 254.310 3.722 50 30 CHEARN C=C(C)[C@@H]1CC[C@@H](C)O[C@H]1c1ccc2c(c1)OCO2 ZINC000000193007 567924975 /nfs/dbraw/zinc/92/49/75/567924975.db2.gz WDZGUUIUJGFBQD-FFSVYQOJSA-N 0 0 260.333 3.848 50 30 biogenic CHEARN CCN(CC)c1ccc(/N=C/c2ccccc2O)cc1 ZINC000000226972 567925375 /nfs/dbraw/zinc/92/53/75/567925375.db2.gz FYPAZVDPPWQSGX-QGOAFFKASA-N 0 0 268.360 3.989 50 30 CHEARN O=C1c2ccccc2S/C1=C\NCc1ccccc1 ZINC000100435990 567927412 /nfs/dbraw/zinc/92/74/12/567927412.db2.gz TZMYUXSHUGPCAC-PTNGSMBKSA-N 0 0 267.353 3.606 50 30 CHEARN Cc1[nH]c2ccccc2c1/C(Cc1ccccc1)=N\O ZINC000100745997 567928616 /nfs/dbraw/zinc/92/86/16/567928616.db2.gz QGSGURFVMITLNU-MNDPQUGUSA-N 0 0 264.328 3.897 50 30 CHEARN C=CCn1c(COc2cc(C)ccc2Cl)n[nH]c1=S ZINC000002522263 567929762 /nfs/dbraw/zinc/92/97/62/567929762.db2.gz PREAFWKUAPOBKJ-UHFFFAOYSA-N 0 0 295.795 3.668 50 30 CHEARN ON=C(Cc1ccc2ccccc2n1)c1ccccc1 ZINC000252604179 567930249 /nfs/dbraw/zinc/93/02/49/567930249.db2.gz FXULQSYGYRDCLI-UHFFFAOYSA-N 0 0 262.312 3.656 50 30 CHEARN O=C1c2cc([N+](=O)[O-])ccc2CC/C1=C\c1ccccc1 ZINC000001640549 567932111 /nfs/dbraw/zinc/93/21/11/567932111.db2.gz GBZUAPFUZMEKIT-GXDHUFHOSA-N 0 0 279.295 3.807 50 30 CHEARN CSC(=CC(=O)c1ccco1)CC(=O)c1ccco1 ZINC000004567222 567932661 /nfs/dbraw/zinc/93/26/61/567932661.db2.gz IEEAADLYZUKCBB-NTMALXAHSA-N 0 0 276.313 3.575 50 30 CHEARN Cc1c(C=O)c2ccccc2n1Cc1ccccc1C#N ZINC000000123537 567937745 /nfs/dbraw/zinc/93/77/45/567937745.db2.gz OPEPAIZPIKBYMY-UHFFFAOYSA-N 0 0 274.323 3.682 50 30 CHEARN CC(=O)C1=C(NC(=O)c2ccc(F)cc2)C[C@H]2[C@@H]1C2(C)C ZINC000101152771 567940821 /nfs/dbraw/zinc/94/08/21/567940821.db2.gz JMQYLHIUIYAORC-RVAMUDQDSA-N 0 0 287.334 3.915 50 30 CHEARN C=CCN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N ZINC000101248053 567940955 /nfs/dbraw/zinc/94/09/55/567940955.db2.gz YNXVZOUQYPXWAE-UHFFFAOYSA-N 0 0 297.383 3.558 50 30 CHEARN CCCCc1ccc(NC(=S)NC[C@H]2CCCO2)cc1 ZINC000013497508 567941645 /nfs/dbraw/zinc/94/16/45/567941645.db2.gz PODFYMUYOIDQOG-OAHLLOKOSA-N 0 0 292.448 3.906 50 30 CHEARN Cc1oc(C)c(C(=O)Nc2ccc(CC#N)cc2)c1C ZINC000014183517 567942537 /nfs/dbraw/zinc/94/25/37/567942537.db2.gz KHIOZCPTBVADQD-UHFFFAOYSA-N 0 0 268.316 3.523 50 30 CHEARN CCc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1 ZINC000000541218 567942773 /nfs/dbraw/zinc/94/27/73/567942773.db2.gz LJRYGGAANNKAPA-SXGWCWSVSA-N 0 0 266.296 3.571 50 30 biogenic CHEARN CC(Nc1cccc2ccccc21)=C1C(=O)C=C(C)OC1=O ZINC000104163197 567943496 /nfs/dbraw/zinc/94/34/96/567943496.db2.gz SJTIKPVDDRTOHX-SFQUDFHCSA-N 0 0 293.322 3.555 50 30 CHEARN O=C1C=C(Nc2nc[nH]n2)C[C@H](c2ccc(Cl)cc2)C1 ZINC000104150585 567943523 /nfs/dbraw/zinc/94/35/23/567943523.db2.gz GDRFAWIGPPWIBX-ORHXRLAQSA-N 0 0 288.738 3.550 50 30 CHEARN N#Cc1ccc(CSc2nnc(C3CCCC3)[nH]2)cc1 ZINC000012103367 567945687 /nfs/dbraw/zinc/94/56/87/567945687.db2.gz CRJVHTKARZBLED-UHFFFAOYSA-N 0 0 284.388 3.626 50 30 CHEARN CN=C(Nc1ccc(Cl)cc1)c1cccc(OC)c1 ZINC000049772143 567946924 /nfs/dbraw/zinc/94/69/24/567946924.db2.gz CTHHIMJNZMMILP-UHFFFAOYSA-N 0 0 274.751 3.646 50 30 CHEARN N#C[C@H](SC(=S)N1CCCC1)C1CCCCC1 ZINC000115185854 567947004 /nfs/dbraw/zinc/94/70/04/567947004.db2.gz WKEMLVAJENUBJV-LBPRGKRZSA-N 0 0 268.451 3.573 50 30 CHEARN C=CCC(CC=C)(C(=O)N[C@@H](C)CC)c1ccccc1 ZINC000002866944 567948657 /nfs/dbraw/zinc/94/86/57/567948657.db2.gz ARUFPWDTAHIORQ-HNNXBMFYSA-N 0 0 271.404 3.991 50 30 CHEARN CCC(=O)Nc1cccc(C(=O)/C=C\c2ccccc2)c1 ZINC000033880827 567948916 /nfs/dbraw/zinc/94/89/16/567948916.db2.gz VHBPRQZNWJIXDL-QXMHVHEDSA-N 0 0 279.339 3.931 50 30 CHEARN C=CCn1c(=O)c2c3c(sc2[n-]c1=S)CCCCC3 ZINC000003220809 567952772 /nfs/dbraw/zinc/95/27/72/567952772.db2.gz LITBSYKWVZHNDT-UHFFFAOYSA-N 0 0 292.429 3.575 50 30 CHEARN Cc1cccc(/N=C2/C(=O)Nc3c2cccc3Cl)c1 ZINC000013903208 570221908 /nfs/dbraw/zinc/22/19/08/570221908.db2.gz YCYAZXMGVVIAFP-UHFFFAOYSA-N 0 0 270.719 3.721 50 30 CHEARN Cc1cccc(-n2ccnc2SC[C@@H](C#N)CCC#N)c1 ZINC000066401301 570224144 /nfs/dbraw/zinc/22/41/44/570224144.db2.gz BJXBWJZCQWWLSU-CQSZACIVSA-N 0 0 296.399 3.716 50 30 CHEARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(C#N)cc1)C2 ZINC000011367515 570254186 /nfs/dbraw/zinc/25/41/86/570254186.db2.gz QWCXULZVTZIJBO-MRXNPFEDSA-N 0 0 294.379 3.522 50 30 CHEARN CN(C)c1ccc(/N=C2\C=CC(=O)c3ccccc32)cc1 ZINC000100060813 570258229 /nfs/dbraw/zinc/25/82/29/570258229.db2.gz VRZJGENLTNRAIG-HTXNQAPBSA-N 0 0 276.339 3.626 50 30 CHEARN COc1nc2c(c(-c3ccco3)c1C#N)Cc1ccccc1-2 ZINC000000079740 570273136 /nfs/dbraw/zinc/27/31/36/570273136.db2.gz LRSCVOMZLBOEMI-UHFFFAOYSA-N 0 0 288.306 3.793 50 30 CHEARN CCOc1ccccc1NC(C)=CC(=O)c1cccnc1 ZINC000107144485 570293575 /nfs/dbraw/zinc/29/35/75/570293575.db2.gz JZJYNBHZDOABKY-QBFSEMIESA-N 0 0 282.343 3.679 50 30 CHEARN CN(C(=O)c1cccc(C#N)c1)[C@@H]1CCCc2ccccc21 ZINC000024772062 570304208 /nfs/dbraw/zinc/30/42/08/570304208.db2.gz CPDRWEXLWOWKIF-GOSISDBHSA-N 0 0 290.366 3.708 50 30 CHEARN CC(C)=C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)C1(C)C ZINC000229731631 570316613 /nfs/dbraw/zinc/31/66/13/570316613.db2.gz AJNYFYOZLVZJPF-SQWLQELKSA-N 0 0 297.402 3.508 50 30 CHEARN CC(C)(C)[S@](=O)/N=C/c1cc(Cl)cc(Cl)c1 ZINC000252497103 570322804 /nfs/dbraw/zinc/32/28/04/570322804.db2.gz PZEXDKSDXMGGPK-KAMPRCONSA-N 0 0 278.204 3.875 50 30 CHEARN C[C@]12CCC[C@@H]1[C@@H]1CCC3=CC(=O)CC[C@]3(C)[C@H]1[C@H](O)C2 ZINC000257345666 570324297 /nfs/dbraw/zinc/32/42/97/570324297.db2.gz FQGSVKQDUSIVGQ-BVPSZOQCSA-N 0 0 288.431 3.879 50 30 CHEARN CCOc1ccccc1NC(C)=CC(=O)c1cccnc1 ZINC000015228263 570325183 /nfs/dbraw/zinc/32/51/83/570325183.db2.gz JZJYNBHZDOABKY-ACCUITESSA-N 0 0 282.343 3.679 50 30 CHEARN N#CCc1cc(Cl)c(Cl)c(OC(F)F)c1 ZINC000263624978 570325628 /nfs/dbraw/zinc/32/56/28/570325628.db2.gz VSTKMMUHMWNANT-UHFFFAOYSA-N 0 0 252.047 3.661 50 30 CHEARN N#CCc1ccc(OC(F)F)c(Cl)c1Cl ZINC000263623073 570325654 /nfs/dbraw/zinc/32/56/54/570325654.db2.gz DLFOHPZCCKIJCA-UHFFFAOYSA-N 0 0 252.047 3.661 50 30 CHEARN CCC(=O)Nc1cccc(NCc2ccc(C#N)cc2)c1C ZINC000012528385 570327067 /nfs/dbraw/zinc/32/70/67/570327067.db2.gz RNBSWXCSUDDXAS-UHFFFAOYSA-N 0 0 293.370 3.827 50 30 CHEARN C=C(C)CSc1n[nH]c(-c2ccc(CC)cc2)n1 ZINC000012617686 570329772 /nfs/dbraw/zinc/32/97/72/570329772.db2.gz VVWXCAITBSWMNP-UHFFFAOYSA-N 0 0 259.378 3.702 50 30 CHEARN C=CCNC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000012754179 570336737 /nfs/dbraw/zinc/33/67/37/570336737.db2.gz RSLUNRWQJKDGEN-OLZOCXBDSA-N 0 0 298.411 3.648 50 30 CHEARN Cc1sc(NC(=O)c2ccc(N(C)C)cc2)c(C#N)c1C ZINC000004304072 570338557 /nfs/dbraw/zinc/33/85/57/570338557.db2.gz MVHSHVZOGBOPEI-UHFFFAOYSA-N 0 0 299.399 3.555 50 30 CHEARN C=CCN1C(=O)S/C(=C/c2c(F)cccc2Cl)C1=O ZINC000012343651 570339731 /nfs/dbraw/zinc/33/97/31/570339731.db2.gz UYOPYCSWYZDTCJ-YRNVUSSQSA-N 0 0 297.738 3.701 50 30 CHEARN C#CCN(CC=C)Cc1nc(-c2ccc(C)s2)oc1C ZINC000020912525 570346209 /nfs/dbraw/zinc/34/62/09/570346209.db2.gz ZGLLHMQSGMVHKW-UHFFFAOYSA-N 0 0 286.400 3.641 50 30 CHEARN CN(C)/C=C/c1onc(-c2c(F)cccc2Cl)c1C#N ZINC000050399810 570352929 /nfs/dbraw/zinc/35/29/29/570352929.db2.gz JKXOSLJLEBNRBI-VOTSOKGWSA-N 0 0 291.713 3.538 50 30 CHEARN Cc1cccc2ncnc(N[C@@H](C)c3ccc(C#N)cc3)c12 ZINC000170652362 570375684 /nfs/dbraw/zinc/37/56/84/570375684.db2.gz ZSBDSJZDZSPLAT-ZDUSSCGKSA-N 0 0 288.354 3.983 50 30 CHEARN CC[C@@H]1CN(C(=O)C[C@@H](C)C#N)CC[C@@H]1c1ccccc1 ZINC000253404792 570385045 /nfs/dbraw/zinc/38/50/45/570385045.db2.gz RWNRWUWUFCPFFM-INMHGKMJSA-N 0 0 284.403 3.578 50 30 CHEARN N#Cc1ccc(Sc2cccs2)c([N+](=O)[O-])c1 ZINC000000096552 570386514 /nfs/dbraw/zinc/38/65/14/570386514.db2.gz WSFUPQUSCQJJJY-UHFFFAOYSA-N 0 0 262.315 3.679 50 30 CHEARN N#Cc1ccsc1NC(=O)/C=C/c1ccccc1Cl ZINC000002692879 570398005 /nfs/dbraw/zinc/39/80/05/570398005.db2.gz UBHFRSNMOVCAMV-AATRIKPKSA-N 0 0 288.759 3.925 50 30 CHEARN O=C(C(Cl)=CNc1ccc(F)c(F)c1)C(F)(F)F ZINC000003183514 1125679326 /nfs/dbraw/zinc/67/93/26/1125679326.db2.gz RIDOVTUZOWKTNG-XQRVVYSFSA-N 0 0 285.599 3.588 50 30 CHEARN CSc1ccc(/C=C/C(=O)Nc2cccc(C#N)c2)cc1 ZINC000003374040 1125690146 /nfs/dbraw/zinc/69/01/46/1125690146.db2.gz RJXQBXWPOJHNSY-JXMROGBWSA-N 0 0 294.379 3.932 50 30 CHEARN O=C(/C=C\c1cccnc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000222311423 1125781990 /nfs/dbraw/zinc/78/19/90/1125781990.db2.gz PFVKHWJOQAVYNG-SREVYHEPSA-N 0 0 288.690 3.539 50 30 CHEARN CCOc1ccc(/C=C2/Cc3c(cccc3O)C2=O)cc1 ZINC000082069815 1126755141 /nfs/dbraw/zinc/75/51/41/1126755141.db2.gz RSQRONDJKSCAQJ-RAXLEYEMSA-N 0 0 280.323 3.613 50 30 CHEARN Cc1csc(N=NC(C)c2ccc(Cl)cc2)n1 ZINC000254555228 1127113451 /nfs/dbraw/zinc/11/34/51/1127113451.db2.gz YOIFLPQBMXPFNP-UHFFFAOYSA-N 0 0 265.769 3.941 50 30 CHEARN CS[C@H]1CCCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000441236089 1127650096 /nfs/dbraw/zinc/65/00/96/1127650096.db2.gz POAHAECSHOJEPD-HNNXBMFYSA-N 0 0 293.863 3.909 50 30 CHEARN Cc1ccc(C)c(/C=C\C(=O)c2cccc(O)c2)c1 ZINC000033469888 1128532602 /nfs/dbraw/zinc/53/26/02/1128532602.db2.gz YKKOOHFIDHLCED-HJWRWDBZSA-N 0 0 252.313 3.905 50 30 CHEARN O=C(/C=C\c1ccc(OC(F)F)cc1)c1ccc(O)cc1 ZINC000033472146 1128533356 /nfs/dbraw/zinc/53/33/56/1128533356.db2.gz JXLLYTXAASRALG-KMKOMSMNSA-N 0 0 290.265 3.890 50 30 CHEARN CC(C)Oc1ccccc1C=NOCc1ccc(C#N)cc1 ZINC000255063889 1118172706 /nfs/dbraw/zinc/17/27/06/1118172706.db2.gz QZALVPFTAHYVRO-UHFFFAOYSA-N 0 0 294.354 3.896 50 30 CHEARN COc1cccc(F)c1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000076042556 1128767729 /nfs/dbraw/zinc/76/77/29/1128767729.db2.gz VGPWKLMRSWOSPX-MDZDMXLPSA-N 0 0 281.286 3.602 50 30 CHEARN N#Cc1ccc(N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cn1 ZINC000242106210 1128793489 /nfs/dbraw/zinc/79/34/89/1128793489.db2.gz WHWWQBOCKKOLJX-CYBMUJFWSA-N 0 0 295.308 3.512 50 30 CHEARN CCOC(=O)Nc1ccc(NCc2occc2C)cc1C#N ZINC000097051348 1118711546 /nfs/dbraw/zinc/71/15/46/1118711546.db2.gz FLDYAXDNPIFBCU-UHFFFAOYSA-N 0 0 299.330 3.640 50 30 CHEARN C[C@@H](CCC#N)CNc1ccccc1OCC(F)(F)F ZINC000585140389 1118726773 /nfs/dbraw/zinc/72/67/73/1118726773.db2.gz CYFRBJJTTZAPBD-NSHDSACASA-N 0 0 286.297 3.979 50 30 CHEARN Cc1ccc(NC(=S)NN=C2CCCC[C@@H]2C)cc1 ZINC000013144531 1119782971 /nfs/dbraw/zinc/78/29/71/1119782971.db2.gz OZBSRQUCTJBHSD-LBPRGKRZSA-N 0 0 275.421 3.848 50 30 CHEARN Cc1ccc(/N=C2\SCC(=O)N2Cc2ccccc2)cc1 ZINC000018021446 1120143883 /nfs/dbraw/zinc/14/38/83/1120143883.db2.gz LTNCVALZULXRCS-ZCXUNETKSA-N 0 0 296.395 3.758 50 30 CHEARN O=C(/C=C/c1ccc2ccccc2n1)c1cccnc1 ZINC000004007715 1120289267 /nfs/dbraw/zinc/28/92/67/1120289267.db2.gz ICATWAFCVSJZPS-MDZDMXLPSA-N 0 0 260.296 3.526 50 30 CHEARN N#Cc1ccc(/C=C\c2coc(-c3ccccc3)n2)nc1 ZINC000425927904 1120457398 /nfs/dbraw/zinc/45/73/98/1120457398.db2.gz ZIIPJZMDBRZCTN-HJWRWDBZSA-N 0 0 273.295 3.779 50 30 CHEARN CCSc1nc(C2CC2)cc(C(F)(F)F)c1C#N ZINC000000614389 1120833854 /nfs/dbraw/zinc/83/38/54/1120833854.db2.gz RKBMEKNGSAQUMM-UHFFFAOYSA-N 0 0 272.295 3.961 50 30 CHEARN CC1=NC(=N)SC1=NNc1cccc2ccccc21 ZINC000254589405 1121683533 /nfs/dbraw/zinc/68/35/33/1121683533.db2.gz PMXWWVPWYMZOBD-UHFFFAOYSA-N 0 0 268.345 3.708 50 30 CHEARN C[Si](C)(C)c1ccc(C#Cc2ccccc2)cc1 ZINC000169744861 1125277205 /nfs/dbraw/zinc/27/72/05/1125277205.db2.gz UZRJWRFLYPENFH-UHFFFAOYSA-N 0 0 250.417 3.632 50 30 CHEARN N#Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000000119892 1125421289 /nfs/dbraw/zinc/42/12/89/1125421289.db2.gz PDASDWZUHLJXLT-UHFFFAOYSA-N 0 0 274.663 3.912 50 30 CHEARN N#Cc1cn2c3ccccc3nc2c(C#N)c1-c1ccccc1 ZINC000000481527 1125423133 /nfs/dbraw/zinc/42/31/33/1125423133.db2.gz AOYLYEVZCMBVAZ-UHFFFAOYSA-N 0 0 294.317 3.898 50 30 CHEARN Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(OC(F)F)cc1 ZINC000097112479 1129584768 /nfs/dbraw/zinc/58/47/68/1129584768.db2.gz FKEYJLNNGAJHOT-FPLPWBNLSA-N 0 0 292.285 3.524 50 30 CHEARN CCOc1ccc(C(=O)/C=C\c2cccc3c2OCO3)cc1 ZINC000097152181 1129586187 /nfs/dbraw/zinc/58/61/87/1129586187.db2.gz QPLUXZVHXSGISZ-FLIBITNWSA-N 0 0 296.322 3.710 50 30 CHEARN CC(=NNc1ccc2ccccc2n1)c1ccccc1O ZINC000254005596 1129673213 /nfs/dbraw/zinc/67/32/13/1129673213.db2.gz IZHPDVLGPQNUBP-UHFFFAOYSA-N 0 0 277.327 3.777 50 30 CHEARN COc1cccc(C=Nc2ccc(C)c(F)c2)c1OC ZINC000254875483 1129716133 /nfs/dbraw/zinc/71/61/33/1129716133.db2.gz VYCSZYSIIXCHMN-UHFFFAOYSA-N 0 0 273.307 3.902 50 30 CHEARN C=CCCC(=O)NCc1ccc(-c2cccs2)o1 ZINC000585366953 1131907700 /nfs/dbraw/zinc/90/77/00/1131907700.db2.gz BEIJAHZNVSSASU-UHFFFAOYSA-N 0 0 261.346 3.591 50 30 CHEARN Nc1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1 ZINC000016989695 230371594 /nfs/dbraw/zinc/37/15/94/230371594.db2.gz BKCSZXHDUUMKNU-RUDMXATFSA-N 0 0 257.720 3.818 50 30 CHEARN CCCCn1c(C)nc2cc(C#N)cc(Br)c21 ZINC000095496093 184998779 /nfs/dbraw/zinc/99/87/79/184998779.db2.gz MGRNNFSGHAUAKS-UHFFFAOYSA-N 0 0 292.180 3.779 50 30 CHEARN COc1ccc(C(=O)C=CNc2ccccc2C)cc1OC ZINC000000352422 230365979 /nfs/dbraw/zinc/36/59/79/230365979.db2.gz PIAHVMAIMIVTPB-ZHACJKMWSA-N 0 0 297.354 3.821 50 30 CHEARN N#Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 ZINC000002632671 230367388 /nfs/dbraw/zinc/36/73/88/230367388.db2.gz VVAAVKBIVMHRIY-UHFFFAOYSA-N 0 0 272.307 3.964 50 30 CHEARN O=C1C=C(NC2CCCCC2)C[C@@H](c2ccccc2)C1 ZINC000003899607 230367870 /nfs/dbraw/zinc/36/78/70/230367870.db2.gz VESAURMHFWYJAS-OAHLLOKOSA-N 0 0 269.388 3.939 50 30 CHEARN C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC2=O ZINC000004074121 230368433 /nfs/dbraw/zinc/36/84/33/230368433.db2.gz DKVSUQWCZQBWCP-QAGGRKNESA-N 0 0 282.383 3.639 50 30 biogenic,in-vitro CHEARN Cc1cc2c(ncnc2-c2ccc(C#N)cc2)s1 ZINC000426387831 230416596 /nfs/dbraw/zinc/41/65/96/230416596.db2.gz KAXIKOAHKGLNFE-UHFFFAOYSA-N 0 0 251.314 3.538 50 30 CHEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000095707856 185018448 /nfs/dbraw/zinc/01/84/48/185018448.db2.gz GIUDNRMHWCAPGM-UHFFFAOYSA-N 0 0 254.479 3.651 50 30 CHEARN COc1ccc(C=CC(=O)Cc2ccccc2)cc1 ZINC000095921788 185031812 /nfs/dbraw/zinc/03/18/12/185031812.db2.gz QDOHRTRAUGTBCW-JXMROGBWSA-N 0 0 252.313 3.520 50 30 CHEARN Cc1ccccc1SCC(=O)N[C@@](C)(C#N)C(C)(C)C ZINC000095997542 185060991 /nfs/dbraw/zinc/06/09/91/185060991.db2.gz AOVHXRIEPKDCQV-INIZCTEOSA-N 0 0 290.432 3.532 50 30 CHEARN COc1cc(C(=O)/C=C\c2ccc(C)cc2C)ccc1O ZINC000096792760 185114842 /nfs/dbraw/zinc/11/48/42/185114842.db2.gz RXUPUWRXOUAWDI-VURMDHGXSA-N 0 0 282.339 3.914 50 30 CHEARN O=C(/C=C\c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000096919899 185129820 /nfs/dbraw/zinc/12/98/20/185129820.db2.gz BPPOLUHSIHACEM-JYRVWZFOSA-N 0 0 291.350 3.710 50 30 CHEARN Cn1cc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cn1 ZINC000096939536 185133110 /nfs/dbraw/zinc/13/31/10/185133110.db2.gz PYGQZIHXEMCVTA-GHXNOFRVSA-N 0 0 288.350 3.983 50 30 CHEARN O=C1c2c3cc(F)ccc3[nH]c2CC/C1=C/c1cccnc1 ZINC000097029944 185155311 /nfs/dbraw/zinc/15/53/11/185155311.db2.gz UPZKBUVZCCCRLP-WQLSENKSSA-N 0 0 292.313 3.915 50 30 CHEARN C=CCN(Cc1ccccc1)C(=O)C1=CCCCC1 ZINC000126143011 187220173 /nfs/dbraw/zinc/22/01/73/187220173.db2.gz UARQHHZMZOQWAV-UHFFFAOYSA-N 0 0 255.361 3.702 50 30 CHEARN N#CCCC[S@](=O)Cc1c(Cl)cccc1Cl ZINC000097164038 185552920 /nfs/dbraw/zinc/55/29/20/185552920.db2.gz TZGBRSDEISAHCF-MRXNPFEDSA-N 0 0 276.188 3.546 50 30 CHEARN Cc1ccc2nc(N3CCC(C)CC3)c(C#N)cc2c1 ZINC000019096760 136576492 /nfs/dbraw/zinc/57/64/92/136576492.db2.gz UMPUJLWZQICZDT-UHFFFAOYSA-N 0 0 265.360 3.651 50 30 CHEARN CC(C)c1ncc(CN2CCCC(C)(C)[C@H]2C#N)s1 ZINC000225587002 189758473 /nfs/dbraw/zinc/75/84/73/189758473.db2.gz MYNUBURJCRZOGA-CYBMUJFWSA-N 0 0 277.437 3.781 50 30 CHEARN CCOc1ccc(/C=N/OC(=O)c2ccc(C)cc2)cc1 ZINC000000043929 169515407 /nfs/dbraw/zinc/51/54/07/169515407.db2.gz HQODILPEVCHRRV-LDADJPATSA-N 0 0 283.327 3.585 50 30 CHEARN C#CCC1(Cc2c(F)cccc2Cl)C(C)=NN=C1C ZINC000000140086 169551129 /nfs/dbraw/zinc/55/11/29/169551129.db2.gz MLBMLVKFCAVXQG-UHFFFAOYSA-N 0 0 276.742 3.882 50 30 CHEARN COc1cc(/C=N/c2ccc(F)cc2)ccc1OC(C)=O ZINC000000288261 169597972 /nfs/dbraw/zinc/59/79/72/169597972.db2.gz SQUNOSQJJKOSCC-VCHYOVAHSA-N 0 0 287.290 3.510 50 30 CHEARN Cc1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1C ZINC000000297582 169601081 /nfs/dbraw/zinc/60/10/81/169601081.db2.gz DIITZWNBRYKCFB-MHWRWJLKSA-N 0 0 254.289 3.962 50 30 CHEARN O=C(C=CNc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000000304596 169603250 /nfs/dbraw/zinc/60/32/50/169603250.db2.gz MRSKWUCCQANHLT-MDZDMXLPSA-N 0 0 273.719 3.854 50 30 CHEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1Cl ZINC000000308198 169604315 /nfs/dbraw/zinc/60/43/15/169604315.db2.gz LPNVNULUGUFZGW-UHFFFAOYSA-N 0 0 269.735 3.883 50 30 CHEARN CCc1ccc(/C=C2\N=C(SC)SC2=O)cc1 ZINC000000457858 169645768 /nfs/dbraw/zinc/64/57/68/169645768.db2.gz VOXAQNMITBWNGX-FLIBITNWSA-N 0 0 263.387 3.582 50 30 CHEARN C=C(Cl)COc1ccc2c(C)c(CC)c(=O)oc2c1 ZINC000000464142 169647714 /nfs/dbraw/zinc/64/77/14/169647714.db2.gz PELSRZYYSZBWOJ-UHFFFAOYSA-N 0 0 278.735 3.795 50 30 CHEARN COc1cccc(/C=N/c2ccc(NC(C)=O)cc2)c1C ZINC000071782765 184577472 /nfs/dbraw/zinc/57/74/72/184577472.db2.gz ZHZLBKCGFBRQOF-WOJGMQOQSA-N 0 0 282.343 3.713 50 30 CHEARN N#Cc1c(Cl)nc(-c2ccco2)c2c1CCCC2 ZINC000000499202 169656943 /nfs/dbraw/zinc/65/69/43/169656943.db2.gz OQDAEFRCGWELFD-UHFFFAOYSA-N 0 0 258.708 3.745 50 30 CHEARN Cc1ccc(C(=O)/C=C\c2c(C)nc3sc(C)cn23)o1 ZINC000096248595 256775198 /nfs/dbraw/zinc/77/51/98/256775198.db2.gz VEDIVLPACCEESG-WAYWQWQTSA-N 0 0 286.356 3.810 50 30 CHEARN CCN(CC)c1ccc(/C=C\C(=O)c2cccnc2)cc1 ZINC000005568217 256776628 /nfs/dbraw/zinc/77/66/28/256776628.db2.gz YVFBKRKBRUUIHF-XFXZXTDPSA-N 0 0 280.371 3.824 50 30 CHEARN Cc1ccc(N[C@H](C)C(=O)Nc2sccc2C#N)cc1C ZINC000028906983 256875075 /nfs/dbraw/zinc/87/50/75/256875075.db2.gz CCFMBBFYZYTMTQ-GFCCVEGCSA-N 0 0 299.399 3.676 50 30 CHEARN COc1ccc(-c2nc(C#N)c(NC3CCCCC3)o2)cc1 ZINC000000544848 169665618 /nfs/dbraw/zinc/66/56/18/169665618.db2.gz KQXUSQCGQDYIAV-UHFFFAOYSA-N 0 0 297.358 3.966 50 30 CHEARN O=C1C=C(Nc2ccccc2O)C[C@H](c2ccccc2)C1 ZINC000000580419 169672682 /nfs/dbraw/zinc/67/26/82/169672682.db2.gz BMRPVNKWXFHBRM-AWEZNQCLSA-N 0 0 279.339 3.835 50 30 CHEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@@H]3CC[C@@]21C ZINC000253501576 131143657 /nfs/dbraw/zinc/14/36/57/131143657.db2.gz ICTXHFFSOAJUMG-MDMHHNQBSA-N 0 0 298.426 3.637 50 30 biogenic CHEARN N#Cc1ccccc1CN1CCCc2cccc(F)c21 ZINC000025510762 134746693 /nfs/dbraw/zinc/74/66/93/134746693.db2.gz UOPKUFVZFLTFNI-UHFFFAOYSA-N 0 0 266.319 3.650 50 30 CHEARN Cc1ccc(CCC(=O)c2ccccc2C#N)c(C)c1 ZINC000002517478 169799903 /nfs/dbraw/zinc/79/99/03/169799903.db2.gz UYMYQJXBOSIRSY-UHFFFAOYSA-N 0 0 263.340 3.991 50 30 CHEARN CCOC(=O)Nc1cccc(OCc2ccc(C#N)cc2)c1 ZINC000003321996 169878652 /nfs/dbraw/zinc/87/86/52/169878652.db2.gz XVYDLMVYSSPXSV-UHFFFAOYSA-N 0 0 296.326 3.706 50 30 CHEARN CN(C)/C=C/C(=O)c1cnc(-c2ccc(Cl)cc2)s1 ZINC000003883785 169919849 /nfs/dbraw/zinc/91/98/49/169919849.db2.gz RJIULOFFGAUSNL-BQYQJAHWSA-N 0 0 292.791 3.722 50 30 CHEARN CCSc1sc(C#N)c2c1C(=O)CC(C)(C)C2 ZINC000004286372 169953619 /nfs/dbraw/zinc/95/36/19/169953619.db2.gz MBSBTZDYHQSAAV-UHFFFAOYSA-N 0 0 265.403 3.887 50 30 CHEARN Clc1cnc(N=NCc2ccccc2)c(Cl)c1 ZINC000004499632 169973936 /nfs/dbraw/zinc/97/39/36/169973936.db2.gz KKIKJVNDJLIQFW-FRKPEAEDSA-N 0 0 266.131 3.834 50 30 CHEARN O=C(C1=CC=CC1=C(O)c1ccccc1)c1ccccc1 ZINC000004557321 169983230 /nfs/dbraw/zinc/98/32/30/169983230.db2.gz RWBSARGBEDGWIH-MRXNPFEDSA-N 0 0 274.319 3.865 50 30 CHEARN Cc1ccc(CNC=CC(=O)c2ccc(C)cc2)cc1 ZINC000004599860 169988753 /nfs/dbraw/zinc/98/87/53/169988753.db2.gz UJAYPKKRNQRYRS-VAWYXSNFSA-N 0 0 265.356 3.790 50 30 CHEARN COC(=O)c1ccc(NC=CC(=O)c2ccc(C)cc2)cc1 ZINC000004707099 170002531 /nfs/dbraw/zinc/00/25/31/170002531.db2.gz DMXDXAKGPUCXRK-QXMHVHEDSA-N 0 0 295.338 3.590 50 30 CHEARN CCNC(=O)CCCCCCCCC#CBr ZINC000004744989 170010547 /nfs/dbraw/zinc/01/05/47/170010547.db2.gz HDVQNRYUMFGWMB-UHFFFAOYSA-N 0 0 288.229 3.599 50 30 CHEARN CSC1=N/C(=C\c2c(F)cccc2Cl)C(=O)S1 ZINC000004755182 170012135 /nfs/dbraw/zinc/01/21/35/170012135.db2.gz WQKJXRLILRLDRF-UITAMQMPSA-N 0 0 287.768 3.812 50 30 CHEARN N#Cc1ccsc1NC(=O)Cc1c(F)cccc1Cl ZINC000004805388 170019959 /nfs/dbraw/zinc/01/99/59/170019959.db2.gz QGVFQMBPIMOQLE-UHFFFAOYSA-N 0 0 294.738 3.593 50 30 CHEARN COc1cc(C#N)cc(Cl)c1OCc1ccccc1F ZINC000004828969 170025084 /nfs/dbraw/zinc/02/50/84/170025084.db2.gz MRDUXBLVUQQZKT-UHFFFAOYSA-N 0 0 291.709 3.938 50 30 CHEARN C=CCOc1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000004842260 170028510 /nfs/dbraw/zinc/02/85/10/170028510.db2.gz KOLYTHRKLJTCQW-UHFFFAOYSA-N 0 0 295.338 3.706 50 30 CHEARN C=CCSC1=N/C(=C\c2ccccc2F)C(=O)S1 ZINC000004845410 170029425 /nfs/dbraw/zinc/02/94/25/170029425.db2.gz YMMGDDQWPYBLQZ-FLIBITNWSA-N 0 0 279.361 3.715 50 30 CHEARN FC(F)(F)c1ccccc1CN=Nc1nccs1 ZINC000005010211 170055426 /nfs/dbraw/zinc/05/54/26/170055426.db2.gz IZSKDSUVZCCFAC-APSNUPSMSA-N 0 0 271.267 3.608 50 30 CHEARN CCOc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1 ZINC000005068144 170063637 /nfs/dbraw/zinc/06/36/37/170063637.db2.gz HYBFQDVMWAEADR-FMIVXFBMSA-N 0 0 282.339 3.990 50 30 CHEARN COc1ccc(C(=O)/C=C/c2cccc(OC)c2)cc1 ZINC000005068605 170063643 /nfs/dbraw/zinc/06/36/43/170063643.db2.gz AQAKRWFRWHZVCZ-IZZDOVSWSA-N 0 0 268.312 3.600 50 30 CHEARN C=C(C)CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000005093228 170065767 /nfs/dbraw/zinc/06/57/67/170065767.db2.gz UQSYEUVJEIVBPS-UHFFFAOYSA-N 0 0 292.429 3.532 50 30 CHEARN CCc1sc(C(=O)OCc2ccccc2C#N)cc1C ZINC000005231063 170078108 /nfs/dbraw/zinc/07/81/08/170078108.db2.gz JTXBZYQGJPGAPX-UHFFFAOYSA-N 0 0 285.368 3.848 50 30 CHEARN COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O ZINC000005252768 170080027 /nfs/dbraw/zinc/08/00/27/170080027.db2.gz WMBGYRHUKNYWID-NVNXTCNLSA-N 0 0 286.714 3.965 50 30 biogenic CHEARN CCOc1cccc(/C=N/c2ccc(OC)cc2)c1O ZINC000005286751 170083405 /nfs/dbraw/zinc/08/34/05/170083405.db2.gz CDVRYGWHTFMWRG-GZTJUZNOSA-N 0 0 271.316 3.550 50 30 CHEARN SCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000005533852 170110048 /nfs/dbraw/zinc/11/00/48/170110048.db2.gz ROZIABXADBFHQK-UHFFFAOYSA-N 0 0 266.369 3.969 50 30 CHEARN Cc1n[nH]c(Nc2ccccc2)c1N=Nc1ccc(C)cc1 ZINC000005570857 170115138 /nfs/dbraw/zinc/11/51/38/170115138.db2.gz QBZLKPXSFXOOQD-UHFFFAOYSA-N 0 0 291.358 3.663 50 30 CHEARN COc1ccc(-n2cc(-c3ccccc3)c(C#N)c2N)cc1 ZINC000005586659 170116339 /nfs/dbraw/zinc/11/63/39/170116339.db2.gz OGTJFIPAHTVRGZ-UHFFFAOYSA-N 0 0 289.338 3.607 50 30 CHEARN O=[N+]([O-])c1cccc(/N=C/c2ccc(OC(F)F)cc2)c1 ZINC000005714326 170132178 /nfs/dbraw/zinc/13/21/78/170132178.db2.gz JBGYXPZZPRHPPV-RQZCQDPDSA-N 0 0 292.241 3.947 50 30 CHEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O ZINC000005824708 170144306 /nfs/dbraw/zinc/14/43/06/170144306.db2.gz YKNHLUBNFOTPTM-SXGWCWSVSA-N 0 0 282.295 3.851 50 30 biogenic CHEARN CCOc1cc(C#N)c(Br)cc1OC(C)C ZINC000005953381 170161312 /nfs/dbraw/zinc/16/13/12/170161312.db2.gz OYKDJPYSTKYZSE-UHFFFAOYSA-N 0 0 284.153 3.507 50 30 CHEARN Cc1cc(C)c(NC(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000006151953 170179215 /nfs/dbraw/zinc/17/92/15/170179215.db2.gz IWEVYJQMLRVXBV-UHFFFAOYSA-N 0 0 264.328 3.736 50 30 CHEARN CN(C)c1ccc(/C=C/C(=O)c2ccc(C#N)cc2)cc1 ZINC000006623592 170219749 /nfs/dbraw/zinc/21/97/49/170219749.db2.gz ORFCDTXKANZHGH-KPKJPENVSA-N 0 0 276.339 3.520 50 30 CHEARN N#Cc1ccc(C(=O)OCc2cccc(Cl)c2)cc1 ZINC000006638374 170220818 /nfs/dbraw/zinc/22/08/18/170220818.db2.gz YWIMWYCKDVWEQL-UHFFFAOYSA-N 0 0 271.703 3.569 50 30 CHEARN CCCCOc1ccccc1C(=O)Nc1ccccc1C#N ZINC000006697219 170226911 /nfs/dbraw/zinc/22/69/11/170226911.db2.gz WUQVARRWGKUTMB-UHFFFAOYSA-N 0 0 294.354 3.989 50 30 CHEARN C=CCOc1cccc(NC(=O)COc2ccccc2C)c1 ZINC000006701270 170229386 /nfs/dbraw/zinc/22/93/86/170229386.db2.gz DQJBICLXPQIIKX-UHFFFAOYSA-N 0 0 297.354 3.577 50 30 CHEARN C=CCOc1cccc(C(=O)Nc2ccccc2)c1 ZINC000006701065 170229539 /nfs/dbraw/zinc/22/95/39/170229539.db2.gz SRDJGVSELHOEEK-UHFFFAOYSA-N 0 0 253.301 3.504 50 30 CHEARN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C#N ZINC000006703768 170230482 /nfs/dbraw/zinc/23/04/82/170230482.db2.gz CCJIRIJFHJCEKS-INIZCTEOSA-N 0 0 294.354 3.663 50 30 CHEARN C#CC(CC)(CC)NC(=O)Nc1ccc(Cl)cc1 ZINC000006725350 170232538 /nfs/dbraw/zinc/23/25/38/170232538.db2.gz QSQPSATZWCXOPH-UHFFFAOYSA-N 0 0 264.756 3.654 50 30 CHEARN C=CCOc1ccc(NC(=O)C2CCCCC2)cc1 ZINC000006745917 170238985 /nfs/dbraw/zinc/23/89/85/170238985.db2.gz RFYJADPBWVCXNE-UHFFFAOYSA-N 0 0 259.349 3.770 50 30 CHEARN CC(Cc1ccccc1)=NOC(=O)Nc1ccccc1 ZINC000006832270 170247828 /nfs/dbraw/zinc/24/78/28/170247828.db2.gz KLDPELRNJQVVPB-QGOAFFKASA-N 0 0 268.316 3.854 50 30 CHEARN Cc1ccccc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1 ZINC000006868294 170251400 /nfs/dbraw/zinc/25/14/00/170251400.db2.gz QSAZXKPKNZHLPJ-MDZDMXLPSA-N 0 0 267.284 3.799 50 30 CHEARN Cc1cc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)n(C)n1 ZINC000006922174 170255394 /nfs/dbraw/zinc/25/53/94/170255394.db2.gz XOMBTHSCVDVOLA-ONEGZZNKSA-N 0 0 284.403 3.527 50 30 CHEARN Cc1ccc(C)c(N[C@@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000007041996 170263669 /nfs/dbraw/zinc/26/36/69/170263669.db2.gz BUBLSKYYGMXEDB-AWEZNQCLSA-N 0 0 293.370 3.614 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCC3)cc1O ZINC000007717410 170298889 /nfs/dbraw/zinc/29/88/89/170298889.db2.gz YQSOKKTVPHMKER-WEVVVXLNSA-N 0 0 294.350 3.786 50 30 CHEARN N#Cc1ccsc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000007796807 170303655 /nfs/dbraw/zinc/30/36/55/170303655.db2.gz WPHDTIHYARUMQM-UHFFFAOYSA-N 0 0 296.273 3.891 50 30 CHEARN C=CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000008073541 170317493 /nfs/dbraw/zinc/31/74/93/170317493.db2.gz QNXICGGCAHLPHG-UHFFFAOYSA-N 0 0 283.327 3.512 50 30 CHEARN C[C@H](NC(=O)c1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000008237771 170326355 /nfs/dbraw/zinc/32/63/55/170326355.db2.gz NRMRRJXFTPVIIO-LBPRGKRZSA-N 0 0 290.322 3.795 50 30 CHEARN C[C@@H](NC(=O)c1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000008237775 170326521 /nfs/dbraw/zinc/32/65/21/170326521.db2.gz NRMRRJXFTPVIIO-GFCCVEGCSA-N 0 0 290.322 3.795 50 30 CHEARN C=CCNc1nc(-c2ccc3c(c2)OCCCO3)cs1 ZINC000008296808 170329679 /nfs/dbraw/zinc/32/96/79/170329679.db2.gz DEJKLAMJTFOQPG-UHFFFAOYSA-N 0 0 288.372 3.569 50 30 CHEARN C=CCNc1nc(-c2ccc(N3CCCC3=O)cc2)cs1 ZINC000008296819 170329713 /nfs/dbraw/zinc/32/97/13/170329713.db2.gz FLANBTPILPUEFA-UHFFFAOYSA-N 0 0 299.399 3.535 50 30 CHEARN CC[C@@H](C)Nc1oc(/C=C/c2cccc(OC)c2)nc1C#N ZINC000008326057 170331411 /nfs/dbraw/zinc/33/14/11/170331411.db2.gz CLOGGAIKDLJZDY-IDVQTMNDSA-N 0 0 297.358 3.936 50 30 CHEARN CCCCCCCCC(=O)Nc1nnc(CC)s1 ZINC000008452264 170336537 /nfs/dbraw/zinc/33/65/37/170336537.db2.gz FHKABIHMPZPBIO-UHFFFAOYSA-N 0 0 269.414 3.790 50 30 CHEARN Fc1ccc(CCNC(=S)Nc2ccc(F)cc2)cc1 ZINC000008682413 170345103 /nfs/dbraw/zinc/34/51/03/170345103.db2.gz QNVHLNBKRZEHAP-UHFFFAOYSA-N 0 0 292.354 3.905 50 30 CHEARN CCCNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000008684779 170345387 /nfs/dbraw/zinc/34/53/87/170345387.db2.gz NVUHOIBRJLGISV-UHFFFAOYSA-N 0 0 262.300 3.813 50 30 CHEARN C=C(C)COc1ccc(C(=O)NCc2cccs2)cc1 ZINC000009865697 170387385 /nfs/dbraw/zinc/38/73/85/170387385.db2.gz CLXJMYRNXBQQRW-UHFFFAOYSA-N 0 0 287.384 3.633 50 30 CHEARN N#Cc1ccc(CSCc2cccc([N+](=O)[O-])c2)cc1 ZINC000009914011 170390662 /nfs/dbraw/zinc/39/06/62/170390662.db2.gz FCQMEBNUEPSZRH-UHFFFAOYSA-N 0 0 284.340 3.900 50 30 CHEARN Cc1c(Cl)cccc1Nc1nnc(SCC#N)s1 ZINC000012866466 170515483 /nfs/dbraw/zinc/51/54/83/170515483.db2.gz XHAWDSITAOTYNA-UHFFFAOYSA-N 0 0 296.808 3.859 50 30 CHEARN N#CC1(C(=O)Nc2cccc3ccccc32)CCCC1 ZINC000012983927 170525581 /nfs/dbraw/zinc/52/55/81/170525581.db2.gz UFAFOCCJNIKTGZ-UHFFFAOYSA-N 0 0 264.328 3.862 50 30 CHEARN COc1ccc(/C=C/C=C2\N=C(SC)SC2=O)cc1 ZINC000013111188 170531619 /nfs/dbraw/zinc/53/16/19/170531619.db2.gz IZNIBNSPGVTNFK-UBXZVMTISA-N 0 0 291.397 3.585 50 30 CHEARN C[C@@H]1C[C@H](C)CN(c2oc(Cc3ccccc3)nc2C#N)C1 ZINC000013554708 170561819 /nfs/dbraw/zinc/56/18/19/170561819.db2.gz FPYWORUYQDIISA-OKILXGFUSA-N 0 0 295.386 3.619 50 30 CHEARN COc1ccc(O)c(/C=C2\Sc3ccccc3C2=O)c1 ZINC000013777785 170592676 /nfs/dbraw/zinc/59/26/76/170592676.db2.gz VBIQGRZYRBFPFV-DHDCSXOGSA-N 0 0 284.336 3.730 50 30 CHEARN CCc1nc(NCc2ccco2)c(C#N)c2c1CCCC2 ZINC000020589689 171260930 /nfs/dbraw/zinc/26/09/30/171260930.db2.gz MLHDQXXIAQOSFE-UHFFFAOYSA-N 0 0 281.359 3.600 50 30 CHEARN Cc1noc2c1[C@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000020745044 171271286 /nfs/dbraw/zinc/27/12/86/171271286.db2.gz QDMHWERSXWPYGT-AWEZNQCLSA-N 0 0 286.356 3.609 50 30 CHEARN O=C1c2cccn2C/C1=C\c1cccc(C(F)(F)F)c1 ZINC000025060427 171448194 /nfs/dbraw/zinc/44/81/94/171448194.db2.gz IJYLVNPEFBXOIO-YRNVUSSQSA-N 0 0 277.245 3.787 50 30 CHEARN C=CCNC(=O)/C(=C\c1ccc(OC)cc1)c1cccs1 ZINC000032907838 171760465 /nfs/dbraw/zinc/76/04/65/171760465.db2.gz JQMIRNSPGDPFHP-QINSGFPZSA-N 0 0 299.395 3.600 50 30 CHEARN C[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000032912666 171761351 /nfs/dbraw/zinc/76/13/51/171761351.db2.gz IVQPHPKKIJNKEG-NSHDSACASA-N 0 0 283.306 3.580 50 30 CHEARN CNc1ccccc(C(=O)/C=C\c2ccc(C)c(C)c2)c1=O ZINC000033683460 171817635 /nfs/dbraw/zinc/81/76/35/171817635.db2.gz KUROKIAHNLTJKC-KHPPLWFESA-N 0 0 293.366 3.601 50 30 CHEARN CN=C(Nc1ccc(Cl)c(Cl)c1)c1ccco1 ZINC000035731351 172381779 /nfs/dbraw/zinc/38/17/79/172381779.db2.gz XIKOCTLWHQYXNQ-UHFFFAOYSA-N 0 0 269.131 3.884 50 30 CHEARN Cc1ccc(C[C@@H](C#N)Sc2ccccn2)cc1 ZINC000036398362 172635049 /nfs/dbraw/zinc/63/50/49/172635049.db2.gz MOBGJSHVHZEINV-AWEZNQCLSA-N 0 0 254.358 3.617 50 30 CHEARN C=CCc1c(Cl)ccnc1NC(=O)OC(C)(C)C ZINC000039961275 174179699 /nfs/dbraw/zinc/17/96/99/174179699.db2.gz XUFVEJDQXVREQN-UHFFFAOYSA-N 0 0 268.744 3.811 50 30 CHEARN CC(C)(C)c1nc(COc2ccccc2C#N)cs1 ZINC000040090158 174189366 /nfs/dbraw/zinc/18/93/66/174189366.db2.gz OXADTICXVSSDHB-UHFFFAOYSA-N 0 0 272.373 3.891 50 30 CHEARN N#Cc1cccc(NC(=O)NCc2ccccc2Cl)c1 ZINC000040098555 174190649 /nfs/dbraw/zinc/19/06/49/174190649.db2.gz SEVZMUCCRRUFMQ-UHFFFAOYSA-N 0 0 285.734 3.533 50 30 CHEARN O=C(/C=C/c1cccc2c1OCO2)c1ccc(Cl)cc1 ZINC000040139513 174194103 /nfs/dbraw/zinc/19/41/03/174194103.db2.gz ZTCIEKFXSXQJGY-RMKNXTFCSA-N 0 0 286.714 3.965 50 30 CHEARN C[C@H](NC(=O)C1(C#N)CCCC1)c1cccc(Cl)c1 ZINC000040468679 174276940 /nfs/dbraw/zinc/27/69/40/174276940.db2.gz DMXSWDSJVBSVGP-NSHDSACASA-N 0 0 276.767 3.601 50 30 CHEARN C=C(C)CSc1nnc(C(C)C)n1Cc1ccco1 ZINC000040477960 174283386 /nfs/dbraw/zinc/28/33/86/174283386.db2.gz LNLHBPMQPKDHPJ-UHFFFAOYSA-N 0 0 277.393 3.711 50 30 CHEARN N#Cc1ccccc1CSc1nccc(C(F)(F)F)n1 ZINC000040489159 174290685 /nfs/dbraw/zinc/29/06/85/174290685.db2.gz WWVRQHWFPOGRHN-UHFFFAOYSA-N 0 0 295.289 3.659 50 30 CHEARN Cc1c(Cl)cc2c(oc(=O)n2CCCC#N)c1Cl ZINC000040544878 174324400 /nfs/dbraw/zinc/32/44/00/174324400.db2.gz HKMPMQKLTJCEOC-UHFFFAOYSA-N 0 0 285.130 3.514 50 30 CHEARN C[C@@H]1C[C@@H]1c1ccc(CN(c2ccc(C#N)cn2)C2CC2)o1 ZINC000042103222 174637752 /nfs/dbraw/zinc/63/77/52/174637752.db2.gz HSQLCJHPFQYRRD-WBMJQRKESA-N 0 0 293.370 3.839 50 30 CHEARN C(#CCO[C@@H]1CCCCO1)CCCc1ccccc1 ZINC000044123428 175143257 /nfs/dbraw/zinc/14/32/57/175143257.db2.gz TULMLJVKHLXRDR-KRWDZBQOSA-N 0 0 258.361 3.556 50 30 CHEARN COc1ccc(NC(=O)C2(C#N)CCCCC2)cc1Cl ZINC000044385414 175169535 /nfs/dbraw/zinc/16/95/35/175169535.db2.gz HFHJEZPCXOBMPP-UHFFFAOYSA-N 0 0 292.766 3.761 50 30 CHEARN FC(F)(F)[C@@](F)(Cl)[C@](F)(Cl)C(F)(F)F ZINC000044430501 175175647 /nfs/dbraw/zinc/17/56/47/175175647.db2.gz LXANZHXWGZWFAC-JCYAYHJZSA-N 0 0 270.934 3.920 50 30 CHEARN N#Cc1ccccc1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000071795755 176264731 /nfs/dbraw/zinc/26/47/31/176264731.db2.gz GYLVGAPYYLAQIK-CMPLNLGQSA-N 0 0 296.292 3.865 50 30 CHEARN CC(C)(C)OC(=O)N1CCC2(CCC(C#N)CC2)CC1 ZINC000072120013 176319565 /nfs/dbraw/zinc/31/95/65/176319565.db2.gz MZPKZVLAVUVOPO-UHFFFAOYSA-N 0 0 278.396 3.717 50 30 CHEARN C=CCOc1cc(C(=O)NC2CCCC2)cc2occc21 ZINC000072240238 176347844 /nfs/dbraw/zinc/34/78/44/176347844.db2.gz HSTCSHPLZCPPPL-UHFFFAOYSA-N 0 0 285.343 3.670 50 30 CHEARN C=CCNC(=O)c1ccc(Oc2cccc(Cl)c2)o1 ZINC000072264841 176351892 /nfs/dbraw/zinc/35/18/92/176351892.db2.gz GLNCTHXHCUBQOL-UHFFFAOYSA-N 0 0 277.707 3.641 50 30 CHEARN N#Cc1cccc(OCc2csc(-c3ccoc3)n2)c1 ZINC000078565711 177354762 /nfs/dbraw/zinc/35/47/62/177354762.db2.gz ULUSYRMLLFIRRO-UHFFFAOYSA-N 0 0 282.324 3.854 50 30 CHEARN C=CCC(CC=C)C(=O)N[C@H]1CCC[C@@H](SC)C1 ZINC000079101840 177433716 /nfs/dbraw/zinc/43/37/16/177433716.db2.gz ZTTTXTFTJXUDIA-UONOGXRCSA-N 0 0 267.438 3.545 50 30 CHEARN CCCCOc1ccc(CN=Nc2nccs2)cc1 ZINC000031854332 260142869 /nfs/dbraw/zinc/14/28/69/260142869.db2.gz XBTXIDVSLBWIQI-WJDWOHSUSA-N 0 0 275.377 3.768 50 30 CHEARN N#Cc1cccc(NC(=O)/C=C\c2ccc3ccccc3n2)c1 ZINC000096533307 260574064 /nfs/dbraw/zinc/57/40/64/260574064.db2.gz NZHMVFGUWVXQEX-KHPPLWFESA-N 0 0 299.333 3.758 50 30 CHEARN CCN(CC)c1ccc(C=C2C(=O)c3ccccc3C2=O)o1 ZINC000006757801 261074841 /nfs/dbraw/zinc/07/48/41/261074841.db2.gz JTSLNJFHTZTXMT-UHFFFAOYSA-N 0 0 295.338 3.588 50 30 CHEARN CCc1ccc(C(=O)C=CNCc2ccc(F)cc2)cc1 ZINC000017487639 262117158 /nfs/dbraw/zinc/11/71/58/262117158.db2.gz VTXDBHIZYHBZQQ-VAWYXSNFSA-N 0 0 283.346 3.874 50 30 CHEARN C/C(=N\N[C@H](C)Oc1ccccc1)c1ccc2c(c1)CCC2 ZINC000043761337 263296436 /nfs/dbraw/zinc/29/64/36/263296436.db2.gz KGBFLDSEDWJXMF-AUQXIXNCSA-N 0 0 294.398 3.914 50 30 CHEARN CC(C)(C#N)CC(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000330701462 264018048 /nfs/dbraw/zinc/01/80/48/264018048.db2.gz HRCISPJVAYLZPQ-IRXDYDNUSA-N 0 0 298.430 3.844 50 30 CHEARN O=S(=O)(/N=C/c1cccc2ccccc12)c1ccccc1 ZINC000005737801 326816920 /nfs/dbraw/zinc/81/69/20/326816920.db2.gz RLUTWDHZSIZBCB-QGOAFFKASA-N 0 0 295.363 3.648 50 30 CHEARN C#Cc1cccc(NC(=O)/C=C\c2ccc(C)cc2C)c1 ZINC000096405012 330438630 /nfs/dbraw/zinc/43/86/30/330438630.db2.gz GAAMHSWBIRNQMJ-KHPPLWFESA-N 0 0 275.351 3.937 50 30 CHEARN c1coc(CN=Nc2nc(-c3ccccc3)cs2)c1 ZINC000252623159 518380270 /nfs/dbraw/zinc/38/02/70/518380270.db2.gz OLGQAKIYYSJBGL-UHFFFAOYSA-N 0 0 269.329 3.849 50 30 aggregator CHEARN C/C(=N/OC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000005003556 518454839 /nfs/dbraw/zinc/45/48/39/518454839.db2.gz USZMRMOXPZKKKA-OUXIGPNZSA-N 0 0 279.339 3.758 50 30 CHEARN C=CC(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 ZINC000328598500 518655947 /nfs/dbraw/zinc/65/59/47/518655947.db2.gz MIHAETHKOMNZRC-UHFFFAOYSA-N 0 0 295.338 3.686 50 30 CHEARN C=CCSc1ccccc1C(=O)NCc1ccccc1 ZINC000006743610 519078202 /nfs/dbraw/zinc/07/82/02/519078202.db2.gz HIAGCCMWPBHSCX-UHFFFAOYSA-N 0 0 283.396 3.895 50 30 CHEARN C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000063094805 524338655 /nfs/dbraw/zinc/33/86/55/524338655.db2.gz NVYKRIODZBEWGS-QMMMGPOBSA-N 0 0 286.162 3.759 50 30 CHEARN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(C#N)cc1 ZINC000013015847 526061197 /nfs/dbraw/zinc/06/11/97/526061197.db2.gz JGSQGURKSORDLE-GFCCVEGCSA-N 0 0 282.318 3.531 50 30 CHEARN N#CC1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 ZINC000061585217 526440396 /nfs/dbraw/zinc/44/03/96/526440396.db2.gz VCCHFGQBNPIGGF-UHFFFAOYSA-N 0 0 290.366 3.729 50 30 CHEARN N#C[C@H](NC(=O)c1ccoc1)c1ccc(Cl)c(Cl)c1 ZINC000068457975 526509659 /nfs/dbraw/zinc/50/96/59/526509659.db2.gz CPKLALMHLZHKOO-LBPRGKRZSA-N 0 0 295.125 3.581 50 30 CHEARN O=C(/C=C/N1CCCCCC1)c1ccc(OC(F)F)cc1 ZINC000002790916 527596681 /nfs/dbraw/zinc/59/66/81/527596681.db2.gz DTPUFNLEHIHJBO-FMIVXFBMSA-N 0 0 295.329 3.860 50 30 CHEARN CCCCCCCNC(=O)Cn1ccc2ccccc21 ZINC000098045192 528134297 /nfs/dbraw/zinc/13/42/97/528134297.db2.gz YPVRJENRRMTSFV-UHFFFAOYSA-N 0 0 272.392 3.728 50 30 CHEARN CCOc1ccc(NC=CC(=O)c2cccs2)cc1 ZINC000001121469 528481738 /nfs/dbraw/zinc/48/17/38/528481738.db2.gz SDZQHIBKOSGHBD-MDZDMXLPSA-N 0 0 273.357 3.955 50 30 CHEARN N#Cc1sc2sc(C#N)c(-c3ccco3)c2c1N ZINC000000125569 570386797 /nfs/dbraw/zinc/38/67/97/570386797.db2.gz WNYPDLONIZAAOA-UHFFFAOYSA-N 0 0 271.326 3.548 50 30 CHEARN C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@H]4[C@H]3CC[C@@]21C ZINC000253498008 566831201 /nfs/dbraw/zinc/83/12/01/566831201.db2.gz ZXSWTMLNIIZPET-QMROVXIMSA-N 0 0 288.431 3.879 50 30 CHEARN C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@H]2O ZINC000253498975 566832130 /nfs/dbraw/zinc/83/21/30/566832130.db2.gz RSIHSRDYCUFFLA-HMSXXHTOSA-N 0 0 286.415 3.655 50 30 CHEARN N#Cc1ccc(OCc2csc(-c3ccco3)n2)cc1 ZINC000025455662 566837444 /nfs/dbraw/zinc/83/74/44/566837444.db2.gz SDCPODURWGMFEJ-UHFFFAOYSA-N 0 0 282.324 3.854 50 30 CHEARN N#Cc1cc(-c2ccccc2)nnc1NCc1ccccc1 ZINC000001390964 566868505 /nfs/dbraw/zinc/86/85/05/566868505.db2.gz HSOJGZAMWCHNSG-UHFFFAOYSA-N 0 0 286.338 3.627 50 30 CHEARN CNc1nc(-c2ccccc2)nc(-c2ccccc2)c1C#N ZINC000001393452 566869584 /nfs/dbraw/zinc/86/95/84/566869584.db2.gz BXCYHNBEQARRGY-UHFFFAOYSA-N 0 0 286.338 3.724 50 30 CHEARN C#Cc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000585672044 566880247 /nfs/dbraw/zinc/88/02/47/566880247.db2.gz PNICRYIXIPEYRQ-UHFFFAOYSA-N 0 0 289.256 3.939 50 30 CHEARN C[C@@H](c1ccccc1)N(C)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000015597151 566885459 /nfs/dbraw/zinc/88/54/59/566885459.db2.gz QDLABUQOVVUGAM-LHNRBYRGSA-N 0 0 290.366 3.791 50 30 CHEARN C=CCOc1ccc(C(=O)Nc2nc(C)c(C)s2)cc1 ZINC000004869343 566890223 /nfs/dbraw/zinc/89/02/23/566890223.db2.gz RMVCMBPZTJARCV-UHFFFAOYSA-N 0 0 288.372 3.577 50 30 CHEARN N#C[C@@](CCc1ccccc1)(c1ccccc1)c1cnccn1 ZINC000015769102 566895343 /nfs/dbraw/zinc/89/53/43/566895343.db2.gz WORRCQSKDYSZCX-FQEVSTJZSA-N 0 0 299.377 3.919 50 30 CHEARN C=C(C)C(=O)Nc1cccnc1Oc1ccccc1F ZINC000000093402 566896184 /nfs/dbraw/zinc/89/61/84/566896184.db2.gz BEXNUOKEBMTEII-UHFFFAOYSA-N 0 0 272.279 3.528 50 30 CHEARN C=CCOc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000017007831 566897167 /nfs/dbraw/zinc/89/71/67/566897167.db2.gz ZEPCCVFLTPWQIZ-FLIBITNWSA-N 0 0 277.370 3.581 50 30 CHEARN C=CCNC(=S)N1CCc2c3ccccc3[nH]c2[C@@H]1C ZINC000013521655 566897266 /nfs/dbraw/zinc/89/72/66/566897266.db2.gz FEPJEXLFDUWIAV-NSHDSACASA-N 0 0 285.416 3.559 50 30 CHEARN C=CCN(CC=C)C(=O)/C=C/c1cccc(Cl)c1 ZINC000000475130 566899394 /nfs/dbraw/zinc/89/93/94/566899394.db2.gz ASAPZYLNPFVNRH-CMDGGOBGSA-N 0 0 261.752 3.554 50 30 CHEARN Cc1ccc(-c2nc(C#N)c(NCc3ccncc3)o2)cc1 ZINC000019898718 566908295 /nfs/dbraw/zinc/90/82/95/566908295.db2.gz KOGGSAUJMRJDFG-UHFFFAOYSA-N 0 0 290.326 3.529 50 30 CHEARN COc1ccc(/C=N/c2cccc(C)c2)cc1OC ZINC000002165260 566911435 /nfs/dbraw/zinc/91/14/35/566911435.db2.gz FNFVAJBCNITRNS-GZTJUZNOSA-N 0 0 255.317 3.763 50 30 CHEARN Cc1cc([N+](=O)[O-])ccc1NC(=O)ON=C1CCCCC1 ZINC000004583112 566912354 /nfs/dbraw/zinc/91/23/54/566912354.db2.gz BELUPCVXKGSVCP-UHFFFAOYSA-N 0 0 291.307 3.772 50 30 CHEARN CC(C)=NOC(=O)Nc1ccc(Cl)cc1Cl ZINC000004583131 566912559 /nfs/dbraw/zinc/91/25/59/566912559.db2.gz WUFMVOUZKSJXLP-UHFFFAOYSA-N 0 0 261.108 3.938 50 30 CHEARN COc1ccc(OC)c(/C=N/c2cccc(C)c2)c1 ZINC000002171611 566913907 /nfs/dbraw/zinc/91/39/07/566913907.db2.gz RVZKYJGQUZXEBV-GZTJUZNOSA-N 0 0 255.317 3.763 50 30 CHEARN C=C[C@@H](C)C[C@@H](C)[C@H]1O[C@@H]1COCc1ccc(OC)cc1 ZINC000071786765 566916237 /nfs/dbraw/zinc/91/62/37/566916237.db2.gz VNGSBXQXXHDPJM-DTTOXWODSA-N 0 0 290.403 3.828 50 30 CHEARN Oc1ccc2ccccc2c1/C=N/c1nccs1 ZINC000100287771 566917479 /nfs/dbraw/zinc/91/74/79/566917479.db2.gz RPRCLWZSHQECQD-CXUHLZMHSA-N 0 0 254.314 3.753 50 30 CHEARN C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(C#N)cc1 ZINC000012906137 566927186 /nfs/dbraw/zinc/92/71/86/566927186.db2.gz USUOVOAYEKIYHZ-NSHDSACASA-N 0 0 297.383 3.771 50 30 CHEARN IC#CC12CC3CC(CC(C3)C1)C2 ZINC000049997327 566948594 /nfs/dbraw/zinc/94/85/94/566948594.db2.gz ZYNIXLUTFVOQPC-UHFFFAOYSA-N 0 0 286.156 3.599 50 30 CHEARN CCC(=CC(=O)c1ccc(OC)cc1)Nc1cccc(O)c1 ZINC000018057083 566953809 /nfs/dbraw/zinc/95/38/09/566953809.db2.gz SEXIWTJTWINHHS-WYMLVPIESA-N 0 0 297.354 3.990 50 30 CHEARN CCCC[C@H](CC)[C@@H]1CC(=O)C=C(C)[C@H]1C(=O)OCC ZINC000239425987 566966691 /nfs/dbraw/zinc/96/66/91/566966691.db2.gz VOMWEKBBFUHRJE-CWRNSKLLSA-N 0 0 280.408 3.917 50 30 CHEARN CCCCCCCn1cnc2sc(CC)cc2c1=O ZINC000001892819 566970069 /nfs/dbraw/zinc/97/00/69/566970069.db2.gz VTDNOLWMUOJION-UHFFFAOYSA-N 0 0 278.421 3.991 50 30 CHEARN CC(C)(C)C(=O)/C(=C/c1ccc(Cl)cc1)n1cncn1 ZINC000013108261 566982223 /nfs/dbraw/zinc/98/22/23/566982223.db2.gz LACMLEGEQFCFAZ-JYRVWZFOSA-N 0 0 289.766 3.545 50 30 CHEARN Cc1cc(C)nc(-c2ccc(C(C)(C)C#N)cc2)n1 ZINC000426728263 566990435 /nfs/dbraw/zinc/99/04/35/566990435.db2.gz KOIOZPJEWNQQGT-UHFFFAOYSA-N 0 0 251.333 3.562 50 30 CHEARN COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1OC ZINC000013113755 567002463 /nfs/dbraw/zinc/00/24/63/567002463.db2.gz GAWLBBIQPOSEMR-PTNGSMBKSA-N 0 0 294.350 3.916 50 30 CHEARN COC(=O)Nc1ccc(O[C@H](C)c2cccc(C#N)c2)cc1 ZINC000170609023 567013640 /nfs/dbraw/zinc/01/36/40/567013640.db2.gz ZPWHVYJARLICSS-GFCCVEGCSA-N 0 0 296.326 3.877 50 30 CHEARN CC(C)C[C@H]1CCCCN1C(=O)Nc1cccc(C#N)c1 ZINC000089821103 567028087 /nfs/dbraw/zinc/02/80/87/567028087.db2.gz QQJQCEOFLOIBOO-MRXNPFEDSA-N 0 0 285.391 3.991 50 30 CHEARN Clc1ccccc1N=Cc1ccc2c(c1)OCO2 ZINC000254399163 567032330 /nfs/dbraw/zinc/03/23/30/567032330.db2.gz JAANGTGIEOZZHP-UHFFFAOYSA-N 0 0 259.692 3.819 50 30 CHEARN Cc1ccc(/C=N/CC/N=C/c2ccc(C)cc2)cc1 ZINC000002167467 567044790 /nfs/dbraw/zinc/04/47/90/567044790.db2.gz MPGHYNJQWJVCOT-IWGRKNQJSA-N 0 0 264.372 3.841 50 30 CHEARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(C#N)cc2)C1(C)C ZINC000027151130 567046310 /nfs/dbraw/zinc/04/63/10/567046310.db2.gz UOKKAUAYENYROU-HUUCEWRRSA-N 0 0 268.360 3.735 50 30 CHEARN CC(C)c1ccc(C=Nc2ccccc2C(N)=O)cc1 ZINC000252462053 567051908 /nfs/dbraw/zinc/05/19/08/567051908.db2.gz PKTIDXZKHBNOQS-UHFFFAOYSA-N 0 0 266.344 3.660 50 30 CHEARN N#C[C@H](OC(=O)c1ccccc1)c1ccccc1Cl ZINC000000390955 567053920 /nfs/dbraw/zinc/05/39/20/567053920.db2.gz DKVVGPYKLNKJKH-AWEZNQCLSA-N 0 0 271.703 3.762 50 30 CHEARN CC(=NOCc1ccc(Cl)c(Cl)c1)c1cnn(C)c1 ZINC000252463512 567054436 /nfs/dbraw/zinc/05/44/36/567054436.db2.gz OMROJGYOOSJWTE-UHFFFAOYSA-N 0 0 298.173 3.668 50 30 CHEARN CC(=O)N1CCc2cc(N=Cc3ccccc3Cl)ccc21 ZINC000252602178 567065703 /nfs/dbraw/zinc/06/57/03/567065703.db2.gz FGEWQVCKUYJWIC-UHFFFAOYSA-N 0 0 298.773 4.000 50 30 CHEARN COc1cccc(N=Cc2ccc3ncccc3c2)c1O ZINC000252625650 567067464 /nfs/dbraw/zinc/06/74/64/567067464.db2.gz QOKFBDMXLYCWDR-UHFFFAOYSA-N 0 0 278.311 3.700 50 30 CHEARN CC(C)CNc1oc(-c2ccccc2Cl)nc1C#N ZINC000000468145 567103221 /nfs/dbraw/zinc/10/32/21/567103221.db2.gz NOIRNXCAWABLAT-UHFFFAOYSA-N 0 0 275.739 3.935 50 30 CHEARN CCOc1ccc(Oc2ccc(C#N)c(C#N)c2)cc1 ZINC000000578964 567105761 /nfs/dbraw/zinc/10/57/61/567105761.db2.gz LRPLZANCMKSCEG-UHFFFAOYSA-N 0 0 264.284 3.621 50 30 CHEARN C[C@@H]1Oc2ccccc2C=C1/C=C/C(=O)c1cccc(O)c1 ZINC000012892259 567116561 /nfs/dbraw/zinc/11/65/61/567116561.db2.gz SKOSFKFNBCGVID-LXKVQUBZSA-N 0 0 292.334 3.996 50 30 biogenic CHEARN O=C(/C=C/C1=Cc2ccccc2OC1)c1cccc(O)c1 ZINC000012896754 567116731 /nfs/dbraw/zinc/11/67/31/567116731.db2.gz JYFUKVJDNKXALS-CMDGGOBGSA-N 0 0 278.307 3.607 50 30 biogenic CHEARN CCCc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 ZINC000002513612 567120621 /nfs/dbraw/zinc/12/06/21/567120621.db2.gz NCTWNVKZQMMLIV-UHFFFAOYSA-N 0 0 265.312 3.730 50 30 in-vitro CHEARN COc1ccc(NCc2ccc(C#N)cc2)cc1Cl ZINC000019903560 567123894 /nfs/dbraw/zinc/12/38/94/567123894.db2.gz HTGCXMZVAFWBJG-UHFFFAOYSA-N 0 0 272.735 3.832 50 30 CHEARN N#Cc1ccccc1C(=O)CCc1cccc(F)c1 ZINC000002517322 567129833 /nfs/dbraw/zinc/12/98/33/567129833.db2.gz HDXYWGAQQJCFPK-UHFFFAOYSA-N 0 0 253.276 3.513 50 30 CHEARN Cn1ccnc1-c1cccc(NCc2cccc(C#N)c2)c1 ZINC000095428703 567131910 /nfs/dbraw/zinc/13/19/10/567131910.db2.gz MEZHDTAIBJNNGY-UHFFFAOYSA-N 0 0 288.354 3.571 50 30 CHEARN C#CCOc1ccc(C(=O)N2CCCC23CCCCC3)cc1 ZINC000095444167 567134493 /nfs/dbraw/zinc/13/44/93/567134493.db2.gz XKECUEBKOWLCNA-UHFFFAOYSA-N 0 0 297.398 3.638 50 30 CHEARN N#CCCSc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC000095953541 567136664 /nfs/dbraw/zinc/13/66/64/567136664.db2.gz VTHCECLYTKRFSP-ZDUSSCGKSA-N 0 0 286.400 3.987 50 30 CHEARN C=CCCc1ccccc1NC(=O)c1cscn1 ZINC000225713113 567146722 /nfs/dbraw/zinc/14/67/22/567146722.db2.gz ZYWDCAPXHUGYDG-UHFFFAOYSA-N 0 0 258.346 3.514 50 30 CHEARN N#Cc1c(NC(=O)C2CC2)sc2c1CCCCCC2 ZINC000002755352 567152306 /nfs/dbraw/zinc/15/23/06/567152306.db2.gz BMYFJJCYLBLXII-UHFFFAOYSA-N 0 0 274.389 3.627 50 30 CHEARN N#Cc1cnn2c1nccc2-c1ccc(Cl)cc1Cl ZINC000003016196 567157566 /nfs/dbraw/zinc/15/75/66/567157566.db2.gz CVINERCOHHDHEQ-UHFFFAOYSA-N 0 0 289.125 3.575 50 30 CHEARN C=C(C)c1cccc(C(C)(C)NC(=O)N(C)CCC#N)c1 ZINC000003204511 567163705 /nfs/dbraw/zinc/16/37/05/567163705.db2.gz KCZISMZZJSNLAS-UHFFFAOYSA-N 0 0 285.391 3.510 50 30 CHEARN Cc1ccc(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1C ZINC000003287103 567167802 /nfs/dbraw/zinc/16/78/02/567167802.db2.gz ADKBAQFPONFDTK-CQSZACIVSA-N 0 0 279.339 3.825 50 30 CHEARN N#Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000003402817 567172225 /nfs/dbraw/zinc/17/22/25/567172225.db2.gz KXXLVANHWCMHKE-UHFFFAOYSA-N 0 0 290.244 3.829 50 30 CHEARN N#Cc1ccc(CN2c3cccc4cccc(c34)C2=O)cc1 ZINC000003361101 567172566 /nfs/dbraw/zinc/17/25/66/567172566.db2.gz FYMZCNSTAFPHGO-UHFFFAOYSA-N 0 0 284.318 3.872 50 30 CHEARN CCOc1ccc(NC=C2CCC[C@H](C)C2=O)cc1 ZINC000003639278 567180434 /nfs/dbraw/zinc/18/04/34/567180434.db2.gz KTFLXIKJNXGNBE-KLDSGFLGSA-N 0 0 259.349 3.770 50 30 CHEARN CSc1ccc([C@@H](C)NC(=O)c2ccc(C#N)cc2)cc1 ZINC000031694518 567181043 /nfs/dbraw/zinc/18/10/43/567181043.db2.gz BOMDJJZNOFTRGU-GFCCVEGCSA-N 0 0 296.395 3.771 50 30 CHEARN Cc1ccc(CON=CNc2ncnc3sccc32)cc1 ZINC000004013860 567184417 /nfs/dbraw/zinc/18/44/17/567184417.db2.gz ZGGNRHXZYRGXSA-UHFFFAOYSA-N 0 0 298.371 3.572 50 30 CHEARN CCCCCC[C@H]1CC(=O)C=C(C)[C@@H]1C(=O)OCC ZINC000004023758 567185098 /nfs/dbraw/zinc/18/50/98/567185098.db2.gz DMEWCRDHMNIMEM-ZFWWWQNUSA-N 0 0 266.381 3.671 50 30 biogenic CHEARN CCCCNc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000004034005 567185522 /nfs/dbraw/zinc/18/55/22/567185522.db2.gz PDBMMPSXBQYWCE-UHFFFAOYSA-N 0 0 278.359 3.880 50 30 CHEARN O=C(/C=C/c1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000004280704 567192443 /nfs/dbraw/zinc/19/24/43/567192443.db2.gz OQSNPMDWFJMKLH-XCVCLJGOSA-N 0 0 258.704 3.942 50 30 CHEARN NC(=O)c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1 ZINC000000046348 567816971 /nfs/dbraw/zinc/81/69/71/567816971.db2.gz QTSMTBGKFVMEQF-QGMBQPNBSA-N 0 0 293.153 3.843 50 30 CHEARN CCOc1ccc(/C=N/c2ccc(C)cc2O)cc1 ZINC000000065799 567817338 /nfs/dbraw/zinc/81/73/38/567817338.db2.gz BOUCTFGOPKWABW-GZTJUZNOSA-N 0 0 255.317 3.850 50 30 CHEARN NC(=O)c1cccc(/N=C/c2ccc3ccccc3c2)c1 ZINC000000065604 567817473 /nfs/dbraw/zinc/81/74/73/567817473.db2.gz FVXMJXCDVCGQIV-UDWIEESQSA-N 0 0 274.323 3.689 50 30 CHEARN COc1ccc([N+](=O)[O-])cc1/N=C/c1c[nH]c2ccccc12 ZINC000000065874 567817681 /nfs/dbraw/zinc/81/76/81/567817681.db2.gz SZSFSJVTPMQDIE-VCHYOVAHSA-N 0 0 295.298 3.835 50 30 CHEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C2)C(=O)CC(C)(C)C1 ZINC000000135772 567819772 /nfs/dbraw/zinc/81/97/72/567819772.db2.gz RYHYPEPVPGAMJA-UHFFFAOYSA-N 0 0 274.360 3.693 50 30 CHEARN O=C(C=CNc1ccccn1)c1ccc(Cl)s1 ZINC000000184407 567821632 /nfs/dbraw/zinc/82/16/32/567821632.db2.gz QJEISEPUMUKUER-SOFGYWHQSA-N 0 0 264.737 3.605 50 30 CHEARN Cc1ccsc1/C=N/N1CCN(c2ccc(C)cc2)CC1 ZINC000000230057 567822403 /nfs/dbraw/zinc/82/24/03/567822403.db2.gz CKZKKQJBIPNUKG-QGOAFFKASA-N 0 0 299.443 3.521 50 30 CHEARN CN(C)c1ccc(/C=N/c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000000357974 567826692 /nfs/dbraw/zinc/82/66/92/567826692.db2.gz RDDSTCFXQFHPHN-LICLKQGHSA-N 0 0 287.294 3.551 50 30 CHEARN CCc1c(C)sc(NC(=O)c2ccccc2F)c1C#N ZINC000001201045 567836529 /nfs/dbraw/zinc/83/65/29/567836529.db2.gz HBDDBFFFTRRHBJ-UHFFFAOYSA-N 0 0 288.347 3.882 50 30 CHEARN CC1(C)CN=C(Nc2ccccc2C(F)(F)F)S1 ZINC000002482481 567845910 /nfs/dbraw/zinc/84/59/10/567845910.db2.gz BLEMUMZLWRYTAH-UHFFFAOYSA-N 0 0 274.311 3.808 50 30 CHEARN CC(C)C(=O)/C(=C/c1ccccc1)C(=O)Nc1ccccc1 ZINC000002567354 567848440 /nfs/dbraw/zinc/84/84/40/567848440.db2.gz SMUFHBOCNIUNPT-LGMDPLHJSA-N 0 0 293.366 3.934 50 30 in-vitro CHEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1O ZINC000002684060 567848741 /nfs/dbraw/zinc/84/87/41/567848741.db2.gz HIQQXKVHODAXPS-UHFFFAOYSA-N 0 0 279.343 3.716 50 30 CHEARN CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCC#N)n1 ZINC000002863348 567849803 /nfs/dbraw/zinc/84/98/03/567849803.db2.gz FHBXFSKXFLXPNH-UHFFFAOYSA-N 0 0 299.321 3.885 50 30 CHEARN C=CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000003105256 567851475 /nfs/dbraw/zinc/85/14/75/567851475.db2.gz HFYOOWXAMPOTOZ-UHFFFAOYSA-N 0 0 294.379 3.625 50 30 CHEARN CC1C/C(=C\c2cccnc2)C(=O)/C(=C/c2cccnc2)C1 ZINC000003895370 567854161 /nfs/dbraw/zinc/85/41/61/567854161.db2.gz LTEXLUXFVUIUEF-ODPUSEOTSA-N 0 0 290.366 3.943 50 30 CHEARN COc1ccc(Sc2ccccc2CC#N)cc1 ZINC000004128752 567855463 /nfs/dbraw/zinc/85/54/63/567855463.db2.gz ZPWOYRBOIAURRC-UHFFFAOYSA-N 0 0 255.342 3.912 50 30 CHEARN COc1ccc(/C=C/C(=O)c2cc(C)ccc2O)cc1 ZINC000004252602 567856407 /nfs/dbraw/zinc/85/64/07/567856407.db2.gz SPPILPVAQGFXJM-UXBLZVDNSA-N 0 0 268.312 3.605 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccccc2F)cc1 ZINC000004590743 567858462 /nfs/dbraw/zinc/85/84/62/567858462.db2.gz JPYYDRVIKSEUEF-DHZHZOJOSA-N 0 0 256.276 3.730 50 30 biogenic CHEARN N#C[C@@H]1CCCC(c2ccccc2)(c2ccccc2)C1=O ZINC000004826333 567859222 /nfs/dbraw/zinc/85/92/22/567859222.db2.gz GDLXKKRYQMSVOB-HNNXBMFYSA-N 0 0 275.351 3.865 50 30 CHEARN Cc1ccsc1/C=N\N1CCN(c2ccc(C)cc2)CC1 ZINC000005052817 567859250 /nfs/dbraw/zinc/85/92/50/567859250.db2.gz CKZKKQJBIPNUKG-AQTBWJFISA-N 0 0 299.443 3.521 50 30 CHEARN N#CCN(C(=O)c1ccc2ccccc2c1)C1CCCC1 ZINC000071914694 567860365 /nfs/dbraw/zinc/86/03/65/567860365.db2.gz YXJSALRZWYAVRH-UHFFFAOYSA-N 0 0 278.355 3.748 50 30 CHEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C)cc1)CO2 ZINC000012825567 567864294 /nfs/dbraw/zinc/86/42/94/567864294.db2.gz HMDKWKAXEZLZTA-NTEUORMPSA-N 0 0 280.323 3.662 50 30 CHEARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/O)cc1 ZINC000013113872 567864739 /nfs/dbraw/zinc/86/47/39/567864739.db2.gz PKAQMEXZOQVWHP-WOJGMQOQSA-N 0 0 277.327 3.656 50 30 CHEARN C=CCNC(=S)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000013497010 567866316 /nfs/dbraw/zinc/86/63/16/567866316.db2.gz UFVYLJFBEGCJRG-UHFFFAOYSA-N 0 0 292.738 3.825 50 30 CHEARN Cc1cc(S[C@H](C)C#N)n2c3ccccc3nc2c1C#N ZINC000004485074 567868205 /nfs/dbraw/zinc/86/82/05/567868205.db2.gz MQAGTOCTALAMJU-LLVKDONJSA-N 0 0 292.367 3.672 50 30 CHEARN O=C1CS/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000015012411 567869843 /nfs/dbraw/zinc/86/98/43/567869843.db2.gz OLEGOQMWZLEAEP-NXVVXOECSA-N 0 0 274.389 3.582 50 30 CHEARN C[C@H](Nc1nc2ccccc2o1)c1ccc(C#N)cc1 ZINC000032923543 567873604 /nfs/dbraw/zinc/87/36/04/567873604.db2.gz YVWAUPAVMZSVPV-NSHDSACASA-N 0 0 263.300 3.873 50 30 CHEARN Cc1cccc(/N=C/c2cc3ccccc3[nH]c2=O)c1C ZINC000017195105 567875269 /nfs/dbraw/zinc/87/52/69/567875269.db2.gz PSVKFNVRKNRNGB-YBFXNURJSA-N 0 0 276.339 3.896 50 30 CHEARN COc1ccc(CNC(=S)Nc2ccccc2C)cc1 ZINC000013468545 567881273 /nfs/dbraw/zinc/88/12/73/567881273.db2.gz SCHVUKKYXJNXDK-UHFFFAOYSA-N 0 0 286.400 3.902 50 30 CHEARN N#Cc1ccc2ncc(/C=C/c3nc4ccccc4o3)n2c1 ZINC000072290529 567884246 /nfs/dbraw/zinc/88/42/46/567884246.db2.gz ZUELWIVQFBZTNI-SOFGYWHQSA-N 0 0 286.294 3.518 50 30 CHEARN C[C@@H](NC(=O)CCc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000072304550 567886458 /nfs/dbraw/zinc/88/64/58/567886458.db2.gz RYELGWSIESYSJN-CYBMUJFWSA-N 0 0 296.345 3.507 50 30 CHEARN CN=C(Nc1ccc(Cl)cc1)c1ccc(Cl)nc1 ZINC000033887823 567886842 /nfs/dbraw/zinc/88/68/42/567886842.db2.gz CKBPBTPMXOJIBP-UHFFFAOYSA-N 0 0 280.158 3.686 50 30 CHEARN CC(C)CCNC1=CC(=O)C[C@@H](c2ccccc2)C1 ZINC000017489041 567887755 /nfs/dbraw/zinc/88/77/55/567887755.db2.gz UIUGNECNLFIJLY-HNNXBMFYSA-N 0 0 257.377 3.653 50 30 CHEARN C=CC[NH2+][C@H]1CCOc2ccc(-c3ccc(OC)cc3)cc21 ZINC000299803865 567892718 /nfs/dbraw/zinc/89/27/18/567892718.db2.gz IGGAPNXEMCEJAK-SFHVURJKSA-N 0 0 295.382 3.961 50 30 CHEARN Cc1ccc(C)c(NC(=S)NCc2cccn2C)c1 ZINC000013879188 567894933 /nfs/dbraw/zinc/89/49/33/567894933.db2.gz OYHDMXUZYZWYHJ-UHFFFAOYSA-N 0 0 273.405 3.540 50 30 CHEARN CC1(C)CC(=O)C=C(NCc2ccc(Cl)cc2)C1 ZINC000004638375 567897015 /nfs/dbraw/zinc/89/70/15/567897015.db2.gz IBMMZEDLOHWTHG-UHFFFAOYSA-N 0 0 263.768 3.703 50 30 CHEARN COc1ccc2c(c1)S/C(=C/C=C1C=CC(=O)C=C1)N2C ZINC000334158695 567899756 /nfs/dbraw/zinc/89/97/56/567899756.db2.gz TXBRNEMRKSQPCK-LICLKQGHSA-N 0 0 297.379 3.700 50 30 biogenic CHEARN CC[N@@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000071769324 567901613 /nfs/dbraw/zinc/90/16/13/567901613.db2.gz CLRZIQGKTOQIDR-LJQANCHMSA-N 0 0 290.410 3.838 50 30 CHEARN CCCCCCCCCCCCOC(=O)[C@@H](C)O ZINC000072399975 567902436 /nfs/dbraw/zinc/90/24/36/567902436.db2.gz QQQMUBLXDAFBRH-CQSZACIVSA-N 0 0 258.402 3.831 50 30 in-vitro CHEARN Clc1ccc(C=NNc2nc3ccccc3[nH]2)cc1 ZINC000004725865 567902710 /nfs/dbraw/zinc/90/27/10/567902710.db2.gz VNPZBFQBRDXABT-UHFFFAOYSA-N 0 0 270.723 3.662 50 30 CHEARN N#CC1CCN(Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000097236366 567905830 /nfs/dbraw/zinc/90/58/30/567905830.db2.gz TXZMVVCKFCPDDA-UHFFFAOYSA-N 0 0 282.343 3.807 50 30 CHEARN O=C1c2ccc(Cl)c(Cl)c2C/C1=C\c1csnn1 ZINC000072271726 567906348 /nfs/dbraw/zinc/90/63/48/567906348.db2.gz GOOHIFBLZHGSTI-ZZXKWVIFSA-N 0 0 297.166 3.667 50 30 CHEARN F[C@@H](OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000095678389 567909449 /nfs/dbraw/zinc/90/94/49/567909449.db2.gz CUTPKDUMZWIJKT-SFOWXEAESA-N 0 0 286.040 3.651 50 30 CHEARN COc1ccc(C(=O)/C=C\c2cccs2)c(OC)c1 ZINC000033374237 567910692 /nfs/dbraw/zinc/91/06/92/567910692.db2.gz AVXJZBXDALNTAB-VURMDHGXSA-N 0 0 274.341 3.661 50 30 CHEARN CC(=CC(=O)c1ccc(Cl)cc1)Nc1ccncc1 ZINC000100246383 567912504 /nfs/dbraw/zinc/91/25/04/567912504.db2.gz CWLCEHZBZZNYHN-ZHACJKMWSA-N 0 0 272.735 3.934 50 30 CHEARN O=C1c2ccccc2SC1=CNc1ccccc1[N+](=O)[O-] ZINC000100511128 567913411 /nfs/dbraw/zinc/91/34/11/567913411.db2.gz KJRUYPQYQIVVDF-ZROIWOOFSA-N 0 0 298.323 3.837 50 30 CHEARN CCS[C@@H](C)C[C@H]1Cc2onc(CC)c2/C(=N\O)C1 ZINC000100551863 567913417 /nfs/dbraw/zinc/91/34/17/567913417.db2.gz KQTKQKSKKRBLDB-ASYFJWBASA-N 0 0 282.409 3.509 50 30 CHEARN Cc1ccc(-c2nc(N)c(C#N)c(-c3ccco3)c2C)o1 ZINC000071771883 567914911 /nfs/dbraw/zinc/91/49/11/567914911.db2.gz ZYYVPILTWBLNTP-UHFFFAOYSA-N 0 0 279.299 3.672 50 30 CHEARN COc1ccc(C=Nc2ccc3[nH]c(C)nc3c2)cc1 ZINC000103615872 567915626 /nfs/dbraw/zinc/91/56/26/567915626.db2.gz MSMWQQXIWGOISU-LICLKQGHSA-N 0 0 265.316 3.631 50 30 CHEARN CCOc1ccccc1/N=C/c1ccc(OC)c(OC)c1 ZINC000103751963 567915784 /nfs/dbraw/zinc/91/57/84/567915784.db2.gz PLXHZZLCELDBSS-LDADJPATSA-N 0 0 285.343 3.853 50 30 CHEARN Cc1ccc(/C=N/CC/N=C\c2ccc(C)cc2)cc1 ZINC000100141201 567916946 /nfs/dbraw/zinc/91/69/46/567916946.db2.gz MPGHYNJQWJVCOT-LRVMPXQBSA-N 0 0 264.372 3.841 50 30 CHEARN O=C(C[C@@H](c1ncc[nH]1)c1ccccc1)NC1CCCC1 ZINC000328592645 567917250 /nfs/dbraw/zinc/91/72/50/567917250.db2.gz RZTBFDQFYHKNNS-OAHLLOKOSA-N 0 0 283.375 3.831 50 30 CHEARN COc1ccccc1-c1cc(C(F)F)[nH]c(=S)c1C#N ZINC000012395156 567922382 /nfs/dbraw/zinc/92/23/82/567922382.db2.gz YVJPJBVRUDMCPT-UHFFFAOYSA-N 0 0 292.310 3.855 50 30 CHEARN N#C[C@@H]1c2ccccc2C=CN1C(=O)c1ccccc1F ZINC000000104454 567922903 /nfs/dbraw/zinc/92/29/03/567922903.db2.gz FASNABDNAHAYDM-MRXNPFEDSA-N 0 0 278.286 3.517 50 30 CHEARN CC[C@@]1(C)C[C@](CC#N)(c2ccc(F)cc2)CCO1 ZINC000000171707 567924354 /nfs/dbraw/zinc/92/43/54/567924354.db2.gz FBGYDEXBNJZDHN-JKSUJKDBSA-N 0 0 261.340 3.956 50 30 CHEARN CC[C@]1(C)C[C@](CC#N)(c2ccc(F)cc2)CCO1 ZINC000000171709 567924438 /nfs/dbraw/zinc/92/44/38/567924438.db2.gz FBGYDEXBNJZDHN-HZPDHXFCSA-N 0 0 261.340 3.956 50 30 CHEARN O=C1C=C(Nc2cccc(Cl)c2)c2ccccc2C1=O ZINC000100365543 567927229 /nfs/dbraw/zinc/92/72/29/567927229.db2.gz MMOSKPXRCBLZDG-UHFFFAOYSA-N 0 0 283.714 3.558 50 30 CHEARN CO/C(=C/c1ccc(OC)cc1)C(=O)c1ccccc1 ZINC000033749332 567928118 /nfs/dbraw/zinc/92/81/18/567928118.db2.gz LHDQREIIQGYCKR-FOWTUZBSSA-N 0 0 268.312 3.565 50 30 CHEARN Cc1cc2c(c(O)c1)C(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000011865209 567928517 /nfs/dbraw/zinc/92/85/17/567928517.db2.gz ICDWTGUAGJWIGN-ZSOIEALJSA-N 0 0 286.714 3.970 50 30 biogenic CHEARN Ic1ccc(N=Cc2ccco2)cc1 ZINC000252629844 567930189 /nfs/dbraw/zinc/93/01/89/567930189.db2.gz UOSJBQOMEFRLTR-UHFFFAOYSA-N 0 0 297.095 3.635 50 30 CHEARN COc1ccc2c(c1)CC/C(=C/c1ccco1)C2=O ZINC000000214451 567930807 /nfs/dbraw/zinc/93/08/07/567930807.db2.gz DSQUEWQBEMJORZ-BENRWUELSA-N 0 0 254.285 3.501 50 30 aggregator CHEARN N#Cc1cccc(C[S@](=O)Cc2ccccc2Cl)c1 ZINC000188277365 567931572 /nfs/dbraw/zinc/93/15/72/567931572.db2.gz JYCJYGYBRDJBSH-IBGZPJMESA-N 0 0 289.787 3.661 50 30 CHEARN C=CCNC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002171697 567937678 /nfs/dbraw/zinc/93/76/78/567937678.db2.gz OZQZNJASOZUXNR-UHFFFAOYSA-N 0 0 279.554 3.954 50 30 CHEARN N#Cc1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 ZINC000000492427 567939916 /nfs/dbraw/zinc/93/99/16/567939916.db2.gz BTXXNGUZHZKTAY-UHFFFAOYSA-N 0 0 291.358 3.544 50 30 CHEARN O=[N+]([O-])c1ccc2c(ccc(O)c2/C=N/c2ccccn2)c1 ZINC000000499664 567940003 /nfs/dbraw/zinc/94/00/03/567940003.db2.gz PPZIFLYVOMKFSI-VCHYOVAHSA-N 0 0 293.282 3.599 50 30 CHEARN C=C(C)COc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000004038764 567940082 /nfs/dbraw/zinc/94/00/82/567940082.db2.gz PMIKKJJIKULHIR-UHFFFAOYSA-N 0 0 270.328 3.545 50 30 CHEARN O=C(C1=C(O)C(=Cc2cccc(O)c2)CCC1)C(F)(F)F ZINC000101525190 567941177 /nfs/dbraw/zinc/94/11/77/567941177.db2.gz HHAHQKPPDRWHNC-ZZZNDOSKSA-N 0 0 298.260 3.903 50 30 CHEARN C[C@@H]1C[C@@H](C)CN(c2oc(-c3ccccc3F)nc2C#N)C1 ZINC000000544589 567942706 /nfs/dbraw/zinc/94/27/06/567942706.db2.gz LOVLULPFVJNBSO-VXGBXAGGSA-N 0 0 299.349 3.835 50 30 CHEARN CCN(C[C@@H](C)C#N)C(=O)c1cc2c(cccc2F)s1 ZINC000048951738 567946622 /nfs/dbraw/zinc/94/66/22/567946622.db2.gz NSPVQGCHZOWVQD-JTQLQIEISA-N 0 0 290.363 3.662 50 30 CHEARN CCn1cc(C(=O)[C@@H](C#N)c2ccccn2)c2ccccc21 ZINC000049456711 567946737 /nfs/dbraw/zinc/94/67/37/567946737.db2.gz IWJWZYNIJNQMOV-AWEZNQCLSA-N 0 0 289.338 3.546 50 30 CHEARN C=CCn1c(=O)c2c(-c3ccco3)csc2[n-]c1=S ZINC000003269661 567947144 /nfs/dbraw/zinc/94/71/44/567947144.db2.gz PCHZXOFZULITOI-UHFFFAOYSA-N 0 0 290.369 3.567 50 30 CHEARN C=CCNc1nc2ccccc2c(N2CCCCCC2)n1 ZINC000041149500 567956265 /nfs/dbraw/zinc/95/62/65/567956265.db2.gz OHLFKRGFZIFFAC-UHFFFAOYSA-N 0 0 282.391 3.608 50 30 CHEARN CCOc1cccc(/C=N/c2cccc(F)c2)c1O ZINC000006508969 570217149 /nfs/dbraw/zinc/21/71/49/570217149.db2.gz LOFOQJNKRLJTKD-LICLKQGHSA-N 0 0 259.280 3.681 50 30 CHEARN C=CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2F)cc1 ZINC000032779874 570222621 /nfs/dbraw/zinc/22/26/21/570222621.db2.gz JAHNMTWVUSYIRY-ZDUSSCGKSA-N 0 0 299.345 3.882 50 30 CHEARN CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1 ZINC000013813204 570232187 /nfs/dbraw/zinc/23/21/87/570232187.db2.gz FAMNQSVPYUAUAF-UHFFFAOYSA-N 0 0 283.762 3.631 50 30 CHEARN COc1ccc(C(=O)C=CNc2ccc(O)cc2C)cc1 ZINC000004674803 570247799 /nfs/dbraw/zinc/24/77/99/570247799.db2.gz VCNDGNIGAVAYJD-MDZDMXLPSA-N 0 0 283.327 3.518 50 30 CHEARN Cc1ccc(C)c(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000252462494 570270316 /nfs/dbraw/zinc/27/03/16/570270316.db2.gz SSADERBYVNYBEK-UHFFFAOYSA-N 0 0 270.288 3.668 50 30 CHEARN C=CCNc1oc(Cc2cccc3ccccc32)nc1C#N ZINC000002704486 570300662 /nfs/dbraw/zinc/30/06/62/570300662.db2.gz KVKLSYWNMUHISZ-UHFFFAOYSA-N 0 0 289.338 3.888 50 30 CHEARN N#CCOc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000023150366 570310952 /nfs/dbraw/zinc/31/09/52/570310952.db2.gz MFBIETPGIHGJFI-UHFFFAOYSA-N 0 0 292.294 3.587 50 30 CHEARN COc1cc2[nH]c(C)c(C)c2cc1NC(C)=CC(C)=O ZINC000001421757 570335314 /nfs/dbraw/zinc/33/53/14/570335314.db2.gz WNTZRPZITUYCOY-RMKNXTFCSA-N 0 0 272.348 3.698 50 30 CHEARN C=C(C)COc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000012137997 570339400 /nfs/dbraw/zinc/33/94/00/570339400.db2.gz LSMLCRBORMZGOA-UHFFFAOYSA-N 0 0 273.376 3.704 50 30 CHEARN C#C[C@](O)(c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000034579242 570347402 /nfs/dbraw/zinc/34/74/02/570347402.db2.gz AIBIEAJBGHJQJF-FQEVSTJZSA-N 0 0 291.394 3.546 50 30 CHEARN C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2O ZINC000253497886 570355858 /nfs/dbraw/zinc/35/58/58/570355858.db2.gz MUMGGOZAMZWBJJ-UDFCFZJOSA-N 0 0 288.431 3.879 50 30 CHEARN C[C@@H]1C[C@@H](C)CN(c2oc(-c3ccccc3)nc2C#N)C1 ZINC000016742338 570367432 /nfs/dbraw/zinc/36/74/32/570367432.db2.gz REUGFHORPBNCOT-CHWSQXEVSA-N 0 0 281.359 3.696 50 30 CHEARN COc1ccc(/C=C2\CCc3ccc(OC)cc3C2=O)cc1 ZINC000000084773 570382548 /nfs/dbraw/zinc/38/25/48/570382548.db2.gz HDHOCGNMVFRDLT-RVDMUPIBSA-N 0 0 294.350 3.916 50 30 biogenic CHEARN Cc1cccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000000030305 570386229 /nfs/dbraw/zinc/38/62/29/570386229.db2.gz DYEZJUSYQNGQHI-UHFFFAOYSA-N 0 0 270.719 3.772 50 30 CHEARN COC(=O)c1sc(SC)c(C#N)c1-c1cccs1 ZINC000000094875 570386516 /nfs/dbraw/zinc/38/65/16/570386516.db2.gz IAWLAQZNAYFBAZ-UHFFFAOYSA-N 0 0 295.410 3.857 50 30 CHEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccco3)sc2C1 ZINC000000156848 570386851 /nfs/dbraw/zinc/38/68/51/570386851.db2.gz CYWBLGQKVJJXCL-VIFPVBQESA-N 0 0 286.356 3.590 50 30 CHEARN Cc1ccc(Oc2ccc(C#N)cc2[N+](=O)[O-])cc1C ZINC000000233151 570387581 /nfs/dbraw/zinc/38/75/81/570387581.db2.gz UYYSZZJJTJUJQT-UHFFFAOYSA-N 0 0 268.272 3.876 50 30 CHEARN N#Cc1cnc2c(F)cc(Br)cc2c1Cl ZINC000012649532 570395201 /nfs/dbraw/zinc/39/52/01/570395201.db2.gz JJPMRRDVDYXAKY-UHFFFAOYSA-N 0 0 285.503 3.661 50 30 CHEARN c1nc(-c2ccccc2)c(-c2ccccc2)n1C[C@@H]1CO1 ZINC000037867491 570395860 /nfs/dbraw/zinc/39/58/60/570395860.db2.gz DGBJXAUJNTXGJB-MRXNPFEDSA-N 0 0 276.339 3.616 50 30 CHEARN CCc1c(C)sc(NC(=O)c2occc2C)c1C#N ZINC000068677756 570401525 /nfs/dbraw/zinc/40/15/25/570401525.db2.gz DWNYBWMFQYQAMW-UHFFFAOYSA-N 0 0 274.345 3.644 50 30 CHEARN C=CCNc1nc(N2CCCCCC2)nc2ccccc21 ZINC000041150841 570403678 /nfs/dbraw/zinc/40/36/78/570403678.db2.gz RCBGMPCMBAHVTJ-UHFFFAOYSA-N 0 0 282.391 3.608 50 30 CHEARN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CSCc1ccccc1 ZINC000952986252 613417778 /nfs/dbraw/zinc/41/77/78/613417778.db2.gz KGVBVPUSXMDYLJ-IYBDPMFKSA-N 0 0 287.428 3.629 50 30 CHEARN Cc1c(C)n(-c2cccc(C(F)(F)F)c2)c(N)c1C#N ZINC000012372549 1125487761 /nfs/dbraw/zinc/48/77/61/1125487761.db2.gz USEWVMHXDORJGK-UHFFFAOYSA-N 0 0 279.265 3.567 50 30 CHEARN C=CCN(Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000065385023 1125676471 /nfs/dbraw/zinc/67/64/71/1125676471.db2.gz MUNIVVPJYONSIJ-DLBZAZTESA-N 0 0 281.355 3.598 50 30 CHEARN O=C(C=CNc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000103815221 1126762021 /nfs/dbraw/zinc/76/20/21/1126762021.db2.gz RFKAPZRAJMGVBU-PLNGDYQASA-N 0 0 283.171 3.762 50 30 CHEARN Cc1ccc(/C=C2\Cc3c(cccc3O)C2=O)cc1 ZINC000011335959 1127779289 /nfs/dbraw/zinc/77/92/89/1127779289.db2.gz FRBUTMGYFZNUTK-UKTHLTGXSA-N 0 0 250.297 3.523 50 30 CHEARN C=C(Cl)CSc1n[nH]c(C=Cc2cccs2)n1 ZINC000012752158 1127920746 /nfs/dbraw/zinc/92/07/46/1127920746.db2.gz KTDXSCVJJQABPS-SNAWJCMRSA-N 0 0 283.809 3.881 50 30 CHEARN Cc1c(/C=C\c2nc3ccccc3s2)cc(C#N)n1C ZINC000034688773 1128232034 /nfs/dbraw/zinc/23/20/34/1128232034.db2.gz MMQSANLSNRZYDU-FPLPWBNLSA-N 0 0 279.368 3.985 50 30 CHEARN Cc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000033409617 1128521863 /nfs/dbraw/zinc/52/18/63/1128521863.db2.gz YCILUQVIRMVIOQ-HJWRWDBZSA-N 0 0 273.313 3.861 50 30 CHEARN O=C(/C=C\c1ccccc1OC(F)F)c1cccc(O)c1 ZINC000033469996 1128532904 /nfs/dbraw/zinc/53/29/04/1128532904.db2.gz WNJOACZRNORYQF-HJWRWDBZSA-N 0 0 290.265 3.890 50 30 CHEARN COc1ccc(C=NOC(=O)Nc2cccc(C)c2)cc1 ZINC000000223938 1119100337 /nfs/dbraw/zinc/10/03/37/1119100337.db2.gz HFWAMRUAPWZXGN-GZTJUZNOSA-N 0 0 284.315 3.586 50 30 CHEARN O=[N+]([O-])c1ccccc1N=NCc1ccc(Cl)cc1 ZINC000252460080 1119529234 /nfs/dbraw/zinc/52/92/34/1119529234.db2.gz BMHBDZCNPJTGAH-UHFFFAOYSA-N 0 0 275.695 3.694 50 30 CHEARN CNN=C1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000017059553 1119891521 /nfs/dbraw/zinc/89/15/21/1119891521.db2.gz SBVFQTNRIXLYNI-FAJBIJEISA-N 0 0 298.430 3.824 50 30 CHEARN C=CCCn1ccc(-c2cccc(-c3cnccn3)c2)n1 ZINC000023543543 1119910623 /nfs/dbraw/zinc/91/06/23/1119910623.db2.gz GBOCGSLXFJNHRV-UHFFFAOYSA-N 0 0 276.343 3.583 50 30 CHEARN CSc1nc2c(c(-c3ccc(O)cc3)c1C#N)CCC2 ZINC000000608581 1120190676 /nfs/dbraw/zinc/19/06/76/1120190676.db2.gz XQWFJBBYHLPXSH-UHFFFAOYSA-N 0 0 282.368 3.536 50 30 CHEARN COC(=O)CC1=C(C)C(=O)C=C2C(C)(C)CCC[C@]21C ZINC000004832576 1120869299 /nfs/dbraw/zinc/86/92/99/1120869299.db2.gz LSPIOZBHWPANRN-KRWDZBQOSA-N 0 0 276.376 3.592 50 30 CHEARN Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c(=O)c1C#N ZINC000000794374 1120983458 /nfs/dbraw/zinc/98/34/58/1120983458.db2.gz RJNMLHBOHSQLDU-UHFFFAOYSA-N 0 0 293.153 3.633 50 30 CHEARN N#Cc1ccc(C(=O)OCc2c(F)cccc2Cl)cc1 ZINC000003432000 1121021120 /nfs/dbraw/zinc/02/11/20/1121021120.db2.gz CDPCMQWQXKYULR-UHFFFAOYSA-N 0 0 289.693 3.708 50 30 CHEARN C=CCN(Cc1ccc(Cl)nc1)Cc1cccc(C#N)c1 ZINC000069221479 1121170493 /nfs/dbraw/zinc/17/04/93/1121170493.db2.gz UFVBFCQGKYKJMZ-UHFFFAOYSA-N 0 0 297.789 3.795 50 30 CHEARN C=CCNc1nc(Nc2ccccc2)nc2ccccc21 ZINC000041150538 1121263977 /nfs/dbraw/zinc/26/39/77/1121263977.db2.gz VTEXEOALKCWGRS-UHFFFAOYSA-N 0 0 276.343 3.971 50 30 CHEARN CC(=Nn1cnnc1)c1ccc(Cl)c(Cl)c1Cl ZINC000606347502 1121665121 /nfs/dbraw/zinc/66/51/21/1121665121.db2.gz YXKHTXICSVHIDK-UHFFFAOYSA-N 0 0 289.553 3.511 50 30 CHEARN CSc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1 ZINC000016976066 1122271115 /nfs/dbraw/zinc/27/11/15/1122271115.db2.gz SYKRCWMDUPVYNE-NVNXTCNLSA-N 0 0 284.336 3.730 50 30 CHEARN C[C@H](CCC#N)CNc1ccccc1OCC(F)(F)F ZINC000585140387 1131329063 /nfs/dbraw/zinc/32/90/63/1131329063.db2.gz CYFRBJJTTZAPBD-LLVKDONJSA-N 0 0 286.297 3.979 50 30 CHEARN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1Cl ZINC000620317626 1125227287 /nfs/dbraw/zinc/22/72/87/1125227287.db2.gz UVOXHNUGVPUHFU-OKILXGFUSA-N 0 0 275.779 3.592 50 30 CHEARN CCOc1ccc(/C=C/c2ncccc2C#N)cc1OCC ZINC000253425537 1129632595 /nfs/dbraw/zinc/63/25/95/1129632595.db2.gz DMVAFMLCCZUCJX-VQHVLOKHSA-N 0 0 294.354 3.921 50 30 CHEARN COc1ccc(/C=C\C(=O)c2cccc(F)c2)c(OC)c1 ZINC000097992975 1129636252 /nfs/dbraw/zinc/63/62/52/1129636252.db2.gz BVHRCZAYIRZIOP-CLFYSBASSA-N 0 0 286.302 3.739 50 30 CHEARN COc1ccccc1C=NOCc1cccc2cccnc21 ZINC000254400022 1129692911 /nfs/dbraw/zinc/69/29/11/1129692911.db2.gz JLEYEYUWGWPJHW-UHFFFAOYSA-N 0 0 292.338 3.794 50 30 CHEARN COc1ccc(C(C)=NN2[C@@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000254483950 1129696570 /nfs/dbraw/zinc/69/65/70/1129696570.db2.gz WVWQSPFLYDQOJZ-STQMWFEESA-N 0 0 290.407 3.691 50 30 CHEARN C[C@@H]1CCC[C@@H](C)N1N=Cc1cccc(Cl)c1 ZINC000254825809 1129711710 /nfs/dbraw/zinc/71/17/10/1129711710.db2.gz PWCKHGFTIOCEAT-VXGBXAGGSA-N 0 0 250.773 3.937 50 30 CHEARN C=CCN(C(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000000434893 1129755442 /nfs/dbraw/zinc/75/54/42/1129755442.db2.gz CVOWBCFITFZKFG-UHFFFAOYSA-N 0 0 267.328 3.528 50 30 CHEARN N#Cc1cccc(/C=C2\CCOc3ccc(F)cc3C2=O)c1 ZINC000012734457 1129831573 /nfs/dbraw/zinc/83/15/73/1129831573.db2.gz UKOUMYPTRSHGJC-NTEUORMPSA-N 0 0 293.297 3.746 50 30 CHEARN Cc1cc(NN=Cc2ccccc2O)nc2ccccc12 ZINC000055429539 1130267719 /nfs/dbraw/zinc/26/77/19/1130267719.db2.gz FBFCGDAMQYXTIH-WQRHYEAKSA-N 0 0 277.327 3.695 50 30 CHEARN N#Cc1c(N)nc(CCC2CC2)cc1-c1ccccc1 ZINC000952993002 1132019934 /nfs/dbraw/zinc/01/99/34/1132019934.db2.gz LDLLXWCKJMPACE-UHFFFAOYSA-N 0 0 263.344 3.545 50 30 CHEARN Nc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1 ZINC000016989692 230371627 /nfs/dbraw/zinc/37/16/27/230371627.db2.gz NWJROPBGEICIOP-JXMROGBWSA-N 0 0 257.720 3.818 50 30 CHEARN O=C(ON=C1C2CC3CC(C2)CC1C3)c1ccc(F)cc1 ZINC000000079966 230365780 /nfs/dbraw/zinc/36/57/80/230365780.db2.gz FVLBQNHOHIKCOZ-UHFFFAOYSA-N 0 0 287.334 3.795 50 30 CHEARN Cc1ncsc1CNc1c(Cl)cccc1C#N ZINC000098013778 230390705 /nfs/dbraw/zinc/39/07/05/230390705.db2.gz YAQPKUIRPNDJST-UHFFFAOYSA-N 0 0 263.753 3.589 50 30 CHEARN N#Cc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1Cl ZINC000003284288 230367793 /nfs/dbraw/zinc/36/77/93/230367793.db2.gz BTPMEMCMQRVYQN-UHFFFAOYSA-N 0 0 292.672 3.742 50 30 CHEARN N#C[C@@H](Sc1nnc2n1CCCCC2)C1CCCCC1 ZINC000115185317 230394259 /nfs/dbraw/zinc/39/42/59/230394259.db2.gz WWQPWZWOQBYVRK-CYBMUJFWSA-N 0 0 290.436 3.569 50 30 CHEARN Cc1c(C#N)c(-c2cccc(OC(C)C)c2)c(C)n1C ZINC000426515538 230421844 /nfs/dbraw/zinc/42/18/44/230421844.db2.gz NVAJJBXTRCSELR-UHFFFAOYSA-N 0 0 268.360 3.968 50 30 CHEARN C=C(C)COC(=O)c1csc(-c2cccs2)n1 ZINC000095946881 185037854 /nfs/dbraw/zinc/03/78/54/185037854.db2.gz UBDKIOUFIASBMH-UHFFFAOYSA-N 0 0 265.359 3.605 50 30 CHEARN O=C1c2ccccc2C/C1=C/c1ccccc1-n1cccn1 ZINC000096035226 185069025 /nfs/dbraw/zinc/06/90/25/185069025.db2.gz KUNSNUWDWPEQMS-SSZFMOIBSA-N 0 0 286.334 3.695 50 30 CHEARN O=C1c2cccc(Cl)c2C/C1=C/c1cccnc1 ZINC000096035604 185069038 /nfs/dbraw/zinc/06/90/38/185069038.db2.gz KLNYQUHKGVJMJF-XFFZJAGNSA-N 0 0 255.704 3.557 50 30 CHEARN Cc1ccc(C(=O)/C=C\c2cnn(-c3ccccc3)c2)o1 ZINC000096930440 185131799 /nfs/dbraw/zinc/13/17/99/185131799.db2.gz JGUWBBQWUUTRRF-HJWRWDBZSA-N 0 0 278.311 3.670 50 30 CHEARN Cc1ccc(C(=O)/C=C\c2c(C)nc3sccn23)o1 ZINC000096930427 185131981 /nfs/dbraw/zinc/13/19/81/185131981.db2.gz XHADQSOFEHVKCQ-PLNGDYQASA-N 0 0 272.329 3.502 50 30 CHEARN Cc1c2ccccc2sc1C(=O)/C=C\c1cnn(C)c1 ZINC000096939819 185133664 /nfs/dbraw/zinc/13/36/64/185133664.db2.gz DRVHSZUEEVXPNI-FPLPWBNLSA-N 0 0 282.368 3.839 50 30 CHEARN N#Cc1ccc(NCCCOc2ccc(F)cc2)cc1 ZINC000097058557 185519726 /nfs/dbraw/zinc/51/97/26/185519726.db2.gz ZZLOMBIUVDNFRM-UHFFFAOYSA-N 0 0 270.307 3.578 50 30 CHEARN CCOc1ccc(/C=C\C(=O)c2ccc(C#N)cc2)cc1 ZINC000098053752 185677675 /nfs/dbraw/zinc/67/76/75/185677675.db2.gz RVIUGABGOHFFGG-GHXNOFRVSA-N 0 0 277.323 3.853 50 30 CHEARN C[C@@H](Sc1cccc(C#N)c1)c1nc(C2CC2)no1 ZINC000089913639 179881895 /nfs/dbraw/zinc/88/18/95/179881895.db2.gz XHVGLVIMGFNREH-SECBINFHSA-N 0 0 271.345 3.672 50 30 CHEARN O=C(C(Cl)=NNc1ccccc1)c1ccccc1 ZINC000104498179 186008102 /nfs/dbraw/zinc/00/81/02/186008102.db2.gz ZMABIWVGQGWMRG-VKAVYKQESA-N 0 0 258.708 3.534 50 30 CHEARN Cc1cccc2c(N[C@H](C)c3ccc(C#N)cc3)ncnc12 ZINC000170673422 188682634 /nfs/dbraw/zinc/68/26/34/188682634.db2.gz KUZCTPMLFHXKFE-CYBMUJFWSA-N 0 0 288.354 3.983 50 30 CHEARN CC(=O)N(C)c1ccc(/N=C/c2ccc(C)cc2)cc1 ZINC000000096206 169534676 /nfs/dbraw/zinc/53/46/76/169534676.db2.gz JEUDPSOASHTNQU-LDADJPATSA-N 0 0 266.344 3.728 50 30 CHEARN Cc1ccc(OC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000000161571 169558885 /nfs/dbraw/zinc/55/88/85/169558885.db2.gz ROKWUVQDWFGBBM-UHFFFAOYSA-N 0 0 298.725 3.903 50 30 CHEARN Cc1ccc(NC(=O)O/N=C/c2ccc3c(c2)CCO3)cc1 ZINC000000168430 169561505 /nfs/dbraw/zinc/56/15/05/169561505.db2.gz AOXATWFIWRSEFU-WOJGMQOQSA-N 0 0 296.326 3.513 50 30 CHEARN CCc1ccc(/N=C/c2cc(OC)ccc2O)cc1 ZINC000000239110 169583451 /nfs/dbraw/zinc/58/34/51/169583451.db2.gz KQYCRWQRPQOVJL-GZTJUZNOSA-N 0 0 255.317 3.714 50 30 CHEARN CCOc1ccc(-c2ccc(C#N)c(Cl)n2)cc1 ZINC000000246215 169585785 /nfs/dbraw/zinc/58/57/85/169585785.db2.gz HPKIJOVNELBATC-UHFFFAOYSA-N 0 0 258.708 3.672 50 30 CHEARN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NCCc1ccccc1)C2 ZINC000000347199 169613475 /nfs/dbraw/zinc/61/34/75/169613475.db2.gz ZGPWSXZMGYKAKH-VQIMIIECSA-N 0 0 283.415 3.728 50 30 CHEARN C=C(C)COc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000000408772 169633012 /nfs/dbraw/zinc/63/30/12/169633012.db2.gz AUMAUECBBZCWKS-UHFFFAOYSA-N 0 0 258.317 3.673 50 30 biogenic CHEARN C=C(C)COc1ccc2c(c1)oc(=O)c1cc(OC)ccc21 ZINC000000457819 169645760 /nfs/dbraw/zinc/64/57/60/169645760.db2.gz UFXRILSPDDSJOG-UHFFFAOYSA-N 0 0 296.322 3.910 50 30 biogenic CHEARN N#Cc1cccc(Oc2cccc3cccnc32)c1C#N ZINC000000453402 169644522 /nfs/dbraw/zinc/64/45/22/169644522.db2.gz DNQUCIGXUVEEIT-UHFFFAOYSA-N 0 0 271.279 3.770 50 30 CHEARN COc1ccccc1[C@]1(CC#N)CCO[C@H](C(C)C)C1 ZINC000000520601 169661052 /nfs/dbraw/zinc/66/10/52/169661052.db2.gz PPMCNHHTASMGPG-DLBZAZTESA-N 0 0 273.376 3.682 50 30 CHEARN CCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000002058278 260008170 /nfs/dbraw/zinc/00/81/70/260008170.db2.gz WVYHBDXOZJHJCE-UHFFFAOYSA-N 0 0 298.770 3.948 50 30 CHEARN C#CCSc1ncc(-c2cccc(Cl)c2)cn1 ZINC000003133755 256871034 /nfs/dbraw/zinc/87/10/34/256871034.db2.gz PHQDNKOGEBCUKU-UHFFFAOYSA-N 0 0 260.749 3.522 50 30 CHEARN Cc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1C ZINC000001004610 169685125 /nfs/dbraw/zinc/68/51/25/169685125.db2.gz QZWFHKXYBBKUSG-UHFFFAOYSA-N 0 0 268.291 3.567 50 30 CHEARN CCC(=O)Nc1sc(CC#N)nc1-c1ccc(C)cc1 ZINC000001462061 169707635 /nfs/dbraw/zinc/70/76/35/169707635.db2.gz NRSSHJIBOJVVSP-UHFFFAOYSA-N 0 0 285.372 3.533 50 30 CHEARN C=CCNC(=S)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000002170418 169778839 /nfs/dbraw/zinc/77/88/39/169778839.db2.gz BGSYBHCAVAXNNS-KRWDZBQOSA-N 0 0 296.439 3.621 50 30 CHEARN N#CCc1ccc(C(F)(F)F)cc1Br ZINC000002243212 169782896 /nfs/dbraw/zinc/78/28/96/169782896.db2.gz RYUZTTSDBHOIAF-UHFFFAOYSA-N 0 0 264.044 3.534 50 30 CHEARN O=C1C=C(c2ccccc2)C(=O)C(Cl)=C1c1ccccc1 ZINC000003051872 169851182 /nfs/dbraw/zinc/85/11/82/169851182.db2.gz XQZWAFRYNGGCJE-UHFFFAOYSA-N 0 0 294.737 3.872 50 30 CHEARN N#Cc1ccc(CSc2nnc(-c3ccccc3)o2)cc1 ZINC000003556112 169896783 /nfs/dbraw/zinc/89/67/83/169896783.db2.gz MXNLXDXLOXHRIH-UHFFFAOYSA-N 0 0 293.351 3.901 50 30 CHEARN N#Cc1cccc(CSc2nc3ccccc3o2)c1 ZINC000003596427 169899889 /nfs/dbraw/zinc/89/98/89/169899889.db2.gz FOIXSGCUMBBRRS-UHFFFAOYSA-N 0 0 266.325 3.992 50 30 CHEARN Cc1c(C#N)c2cc([N+](=O)[O-])ccc2n1Cc1ccccc1 ZINC000003878774 169919160 /nfs/dbraw/zinc/91/91/60/169919160.db2.gz UZVOLGDUTTVWCR-UHFFFAOYSA-N 0 0 291.310 3.778 50 30 CHEARN N#CCc1ccc(NCc2c(C#N)oc3ccccc32)cc1 ZINC000004160048 169939614 /nfs/dbraw/zinc/93/96/14/169939614.db2.gz FZRPFGLMKUKXFY-UHFFFAOYSA-N 0 0 287.322 3.983 50 30 CHEARN O=C(Nc1ccccc1)O/N=C1/CCCc2occc21 ZINC000004366232 169962430 /nfs/dbraw/zinc/96/24/30/169962430.db2.gz CDXOJRCKVUQOMC-LGMDPLHJSA-N 0 0 270.288 3.569 50 30 CHEARN CCC(=O)Nc1cccc(C(=O)/C=C/c2ccccc2)c1 ZINC000004649240 169993325 /nfs/dbraw/zinc/99/33/25/169993325.db2.gz VHBPRQZNWJIXDL-VAWYXSNFSA-N 0 0 279.339 3.931 50 30 CHEARN Cc1ccc(NN=C2CCc3ccccc3C2=O)cc1 ZINC000004729038 170007031 /nfs/dbraw/zinc/00/70/31/170007031.db2.gz XMWQRVJIHNLSNY-MNDPQUGUSA-N 0 0 264.328 3.592 50 30 CHEARN N#Cc1ccc(Oc2nc(C#N)cc(-c3ccccc3)n2)cc1 ZINC000004852699 170030307 /nfs/dbraw/zinc/03/03/07/170030307.db2.gz NKEQCBMYVPEJDL-UHFFFAOYSA-N 0 0 298.305 3.679 50 30 aggregator CHEARN N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCCc2ccccc21 ZINC000004905885 170039088 /nfs/dbraw/zinc/03/90/88/170039088.db2.gz YXPQYTDGBDYSRO-QGZVFWFLSA-N 0 0 293.326 3.956 50 30 CHEARN CCOc1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC000004947807 170044174 /nfs/dbraw/zinc/04/41/74/170044174.db2.gz ABJALCOAMMGTJD-JLHYYAGUSA-N 0 0 252.313 3.981 50 30 CHEARN CCc1ccc(C(=O)C=CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004949805 170044507 /nfs/dbraw/zinc/04/45/07/170044507.db2.gz WTOBQDKYCOWLHA-VAWYXSNFSA-N 0 0 296.326 3.966 50 30 CHEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccccc1 ZINC000004964832 170045872 /nfs/dbraw/zinc/04/58/72/170045872.db2.gz AXMGOWZVQOLCDR-SDNWHVSQSA-N 0 0 280.352 3.578 50 30 CHEARN COc1cccc(/C(C)=N/N=C(\C)c2cccc(OC)c2)c1 ZINC000004990530 170050486 /nfs/dbraw/zinc/05/04/86/170050486.db2.gz LMCPRWZQDNXFNB-IWGRKNQJSA-N 0 0 296.370 3.937 50 30 CHEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O ZINC000005187572 170075100 /nfs/dbraw/zinc/07/51/00/170075100.db2.gz UVPROKMIGSPEGH-MFOYZWKCSA-N 0 0 293.322 3.653 50 30 CHEARN CCO/N=C1\C[C@@H](C)Cc2nnc(-c3ccc(C)cc3)cc21 ZINC000005194970 170075400 /nfs/dbraw/zinc/07/54/00/170075400.db2.gz QRTPZXZLQCYUOQ-OADOCSNJSA-N 0 0 295.386 3.775 50 30 CHEARN CCCC(=O)Nc1sc2c(c1C#N)C[C@@](C)(CC)OC2 ZINC000005303898 170084559 /nfs/dbraw/zinc/08/45/59/170084559.db2.gz PVKJTHMUFZZBMC-OAHLLOKOSA-N 0 0 292.404 3.600 50 30 CHEARN N#Cc1ccc(COC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000005307663 170084797 /nfs/dbraw/zinc/08/47/97/170084797.db2.gz HZMWBJGDKYIGLZ-UHFFFAOYSA-N 0 0 297.379 3.856 50 30 CHEARN Cc1cc(C2=NNC3=C(C2)C(=O)C[C@H](C)C3)ccc1Cl ZINC000005362044 170089645 /nfs/dbraw/zinc/08/96/45/170089645.db2.gz BGAHDUVMRXOICD-SECBINFHSA-N 0 0 288.778 3.599 50 30 CHEARN CO/N=C1/C[C@@H](C)Cc2c1cc(C)n2-c1ccc(F)cc1 ZINC000005362567 170089665 /nfs/dbraw/zinc/08/96/65/170089665.db2.gz RMMOKZABXSNVBA-HBTZSIKTSA-N 0 0 286.350 3.858 50 30 CHEARN Fc1cccc(Cl)c1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000005451090 170100101 /nfs/dbraw/zinc/10/01/01/170100101.db2.gz WNKGPQKIECJSQX-CAOOACKPSA-N 0 0 288.713 3.801 50 30 CHEARN Cc1[nH]c2ccccc2c1C=NNc1nc2ccccc2[nH]1 ZINC000005459608 170101484 /nfs/dbraw/zinc/10/14/84/170101484.db2.gz WMGYROGJPCUNSD-VCHYOVAHSA-N 0 0 289.342 3.799 50 30 CHEARN C[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000005483799 170103947 /nfs/dbraw/zinc/10/39/47/170103947.db2.gz PZLDDHZYPCCXCF-SNVBAGLBSA-N 0 0 256.349 3.556 50 30 CHEARN COc1ccc([C@@H]2C[C@H]2/C(=N/O)c2ccccc2)cc1 ZINC000005527073 170108381 /nfs/dbraw/zinc/10/83/81/170108381.db2.gz SVZRWBOWZMYECF-WHROQEIASA-N 0 0 267.328 3.677 50 30 CHEARN Cc1cc(C(F)(F)F)n(-c2c(F)c(F)cc(F)c2F)n1 ZINC000005536729 170110226 /nfs/dbraw/zinc/11/02/26/170110226.db2.gz FRDNHWKEIZNGIG-UHFFFAOYSA-N 0 0 298.161 3.756 50 30 CHEARN CCCCC(Nc1ccccc1)=C1C(=O)CCCC1=O ZINC000006016308 170168767 /nfs/dbraw/zinc/16/87/67/170168767.db2.gz QTDUFSBOSVKJHT-UHFFFAOYSA-N 0 0 271.360 3.865 50 30 CHEARN CCc1c(C)sc(NC(=O)Cc2ccccc2)c1C#N ZINC000006122851 170177563 /nfs/dbraw/zinc/17/75/63/170177563.db2.gz WKGHMMPNHFONNF-UHFFFAOYSA-N 0 0 284.384 3.672 50 30 CHEARN Cc1ccc(/N=C/c2nc3ccccc3n2C)c(C)c1 ZINC000006187850 170181564 /nfs/dbraw/zinc/18/15/64/170181564.db2.gz SRSAICQKOWHOIV-WOJGMQOQSA-N 0 0 263.344 3.941 50 30 CHEARN N#Cc1ccccc1NC(=O)CCC1CCCCC1 ZINC000006226860 170183923 /nfs/dbraw/zinc/18/39/23/170183923.db2.gz CTZQRYUOEBDHAR-UHFFFAOYSA-N 0 0 256.349 3.857 50 30 CHEARN CCn1ccc(/C=C/C(=O)c2ccc(-n3cccc3)cc2)n1 ZINC000006243901 170184787 /nfs/dbraw/zinc/18/47/87/170184787.db2.gz NFIWDXYGLUSROR-JXMROGBWSA-N 0 0 291.354 3.590 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccccc2C)cc1OC ZINC000006341195 170193924 /nfs/dbraw/zinc/19/39/24/170193924.db2.gz ZVQUFTOWZNZTAA-CSKARUKUSA-N 0 0 282.339 3.908 50 30 CHEARN Cc1cccc(C)c1NC(=S)N(CCC#N)C(C)C ZINC000006491130 170206069 /nfs/dbraw/zinc/20/60/69/170206069.db2.gz RRXZOIZWNKMPRQ-UHFFFAOYSA-N 0 0 275.421 3.624 50 30 CHEARN Cc1cc(C)c2c(-c3ccccc3)nc(SCC#N)n2n1 ZINC000006589820 170216979 /nfs/dbraw/zinc/21/69/79/170216979.db2.gz HACFTSCYHAIECW-UHFFFAOYSA-N 0 0 294.383 3.629 50 30 CHEARN C=CCOc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000006701009 170229330 /nfs/dbraw/zinc/22/93/30/170229330.db2.gz QTTXJVKOKHGORM-KBPBESRZSA-N 0 0 273.376 3.655 50 30 CHEARN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C#N ZINC000006702745 170230265 /nfs/dbraw/zinc/23/02/65/170230265.db2.gz MWRJNSFVUNSSAO-KRWDZBQOSA-N 0 0 294.354 3.663 50 30 CHEARN C=C(C)COc1ccc(C(=O)Nc2cccc(C)n2)cc1 ZINC000006715851 170232138 /nfs/dbraw/zinc/23/21/38/170232138.db2.gz JCYZGWGVYUKHEG-UHFFFAOYSA-N 0 0 282.343 3.597 50 30 CHEARN Cc1ccc(C)c(NC(=NN)c2ccc3ccccc3n2)c1 ZINC000006795431 170244883 /nfs/dbraw/zinc/24/48/83/170244883.db2.gz MWMNPDULLBQFEQ-UHFFFAOYSA-N 0 0 290.370 3.584 50 30 CHEARN Cc1cc(C)cc(N[C@@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000007240101 170273238 /nfs/dbraw/zinc/27/32/38/170273238.db2.gz CPESIFPMGJXWSE-AWEZNQCLSA-N 0 0 293.370 3.614 50 30 CHEARN CCCCNc1oc(/C=C/c2cccs2)nc1C#N ZINC000007261764 170273879 /nfs/dbraw/zinc/27/38/79/170273879.db2.gz XEQSXDZMLKIDBD-VOTSOKGWSA-N 0 0 273.361 3.990 50 30 CHEARN N#Cc1ccccc1COC(=O)c1cc(Cl)ccc1F ZINC000007526588 170289145 /nfs/dbraw/zinc/28/91/45/170289145.db2.gz UXQMEFBOVSPAGY-UHFFFAOYSA-N 0 0 289.693 3.708 50 30 CHEARN O=C(/C=C/c1cc(Br)cs1)c1cccnc1 ZINC000007739684 170299906 /nfs/dbraw/zinc/29/99/06/170299906.db2.gz AJZHIOUQSDACBQ-ONEGZZNKSA-N 0 0 294.173 3.802 50 30 CHEARN COc1ccc(C)cc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000007915455 170307730 /nfs/dbraw/zinc/30/77/30/170307730.db2.gz OUEXBJNKHMCTDJ-RMKNXTFCSA-N 0 0 297.310 3.808 50 30 CHEARN N#Cc1cccc(NC(=O)c2cc(Cl)ccc2F)c1 ZINC000007956108 170309867 /nfs/dbraw/zinc/30/98/67/170309867.db2.gz JVNIQWMPPJJKKC-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN CCn1c2ccccc2nc1SC[C@@H](C#N)CCC#N ZINC000008164993 170321996 /nfs/dbraw/zinc/32/19/96/170321996.db2.gz DQWMEMYNYHFCSS-GFCCVEGCSA-N 0 0 284.388 3.592 50 30 CHEARN COc1cc(C(=O)/C=C/c2ccc(C)cc2)ccc1O ZINC000008322734 170331178 /nfs/dbraw/zinc/33/11/78/170331178.db2.gz KDCLWYQQWHARDU-VQHVLOKHSA-N 0 0 268.312 3.605 50 30 CHEARN CC[C@H]1S/C(=N\c2ccc(Cl)cc2Cl)NC1=O ZINC000008326503 170331458 /nfs/dbraw/zinc/33/14/58/170331458.db2.gz BVUSERZPZOAIFO-SECBINFHSA-N 0 0 289.187 3.623 50 30 CHEARN CC(=O)C(Cl)=NNc1ccc(Cl)cc1Cl ZINC000008385659 170334457 /nfs/dbraw/zinc/33/44/57/170334457.db2.gz SOTSGIPEYHCULQ-ZROIWOOFSA-N 0 0 265.527 3.547 50 30 CHEARN C[S@](=O)c1scc(-c2ccc(Cl)cc2)c1C#N ZINC000008637189 170343596 /nfs/dbraw/zinc/34/35/96/170343596.db2.gz LLZUOZWHFLUGCK-QGZVFWFLSA-N 0 0 281.789 3.678 50 30 CHEARN CCOc1ccccc1NC(=S)Nc1ncccc1C ZINC000008682713 170345029 /nfs/dbraw/zinc/34/50/29/170345029.db2.gz SJIJWGNUPUGTPQ-UHFFFAOYSA-N 0 0 287.388 3.818 50 30 CHEARN C=CCN(CC=C)Cc1c(C)[nH]c2c(C)cccc2c1=O ZINC000008714595 170349005 /nfs/dbraw/zinc/34/90/05/170349005.db2.gz DUKZBMAPDUEDOD-UHFFFAOYSA-N 0 0 282.387 3.731 50 30 CHEARN CCCCNC(=S)NCc1ccc2[nH]c(C)cc2c1 ZINC000008860114 170357811 /nfs/dbraw/zinc/35/78/11/170357811.db2.gz WKJGNJPOYFVDGM-UHFFFAOYSA-N 0 0 275.421 3.652 50 30 CHEARN COc1cc(C#N)cc(Cl)c1OCc1ccccc1C#N ZINC000008944844 170359424 /nfs/dbraw/zinc/35/94/24/170359424.db2.gz IYXIOYBEXRZKFF-UHFFFAOYSA-N 0 0 298.729 3.671 50 30 CHEARN CN/N=C1\CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000008980323 170360181 /nfs/dbraw/zinc/36/01/81/170360181.db2.gz SBVFQTNRIXLYNI-FYRAELIKSA-N 0 0 298.430 3.824 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)cc1F ZINC000008981765 170360234 /nfs/dbraw/zinc/36/02/34/170360234.db2.gz ZTZOKRXHMKTKCQ-XBXARRHUSA-N 0 0 281.286 3.602 50 30 CHEARN N#Cc1ccc(C(=O)Nc2ccnn2C2CCCCC2)cc1 ZINC000009337563 170372763 /nfs/dbraw/zinc/37/27/63/170372763.db2.gz AJJNAODVTONCJJ-UHFFFAOYSA-N 0 0 294.358 3.512 50 30 CHEARN N#Cc1ccc(OCc2coc(-c3cccs3)n2)cc1 ZINC000009498050 170379299 /nfs/dbraw/zinc/37/92/99/170379299.db2.gz AVBLUTSZYOKALS-UHFFFAOYSA-N 0 0 282.324 3.854 50 30 CHEARN N#CCc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000009514773 170380061 /nfs/dbraw/zinc/38/00/61/170380061.db2.gz SRXOIDZLTOKRCS-UHFFFAOYSA-N 0 0 270.719 3.658 50 30 CHEARN C=C(C)COc1ccc(C(=O)Nc2ccccc2O)cc1 ZINC000009865542 170387592 /nfs/dbraw/zinc/38/75/92/170387592.db2.gz GLHTVYWXUCTBCD-UHFFFAOYSA-N 0 0 283.327 3.599 50 30 CHEARN C=CCC(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 ZINC000011818511 170443532 /nfs/dbraw/zinc/44/35/32/170443532.db2.gz LYPNWCDGEIVMQV-KRWDZBQOSA-N 0 0 286.419 3.789 50 30 CHEARN O=[N+]([O-])c1ccc(/N=C/c2ccc(Br)o2)cc1 ZINC000012428971 170488147 /nfs/dbraw/zinc/48/81/47/170488147.db2.gz NHLLCDZPGMCDQM-NTUHNPAUSA-N 0 0 295.092 3.701 50 30 CHEARN C/C(=N\OC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000013118657 170533292 /nfs/dbraw/zinc/53/32/92/170533292.db2.gz USZMRMOXPZKKKA-FUEBIDMXSA-N 0 0 279.339 3.758 50 30 CHEARN Cc1ccc(C(=O)N=C2C(C)=CC(=O)C(Cl)=C2C)cc1 ZINC000016779957 170712247 /nfs/dbraw/zinc/71/22/47/170712247.db2.gz ZQXJVGJSGFYMBA-OBGWFSINSA-N 0 0 287.746 3.618 50 30 CHEARN O=C1c2ccccc2OC/C1=C/c1ccccc1Cl ZINC000017214570 170730514 /nfs/dbraw/zinc/73/05/14/170730514.db2.gz HYXCHJLRQNCZCW-XFXZXTDPSA-N 0 0 270.715 3.999 50 30 CHEARN C=CCOc1nc(SC)nc2sc3c(c21)CCCC3 ZINC000018173705 170744889 /nfs/dbraw/zinc/74/48/89/170744889.db2.gz QGDDHBSYNDJHDX-UHFFFAOYSA-N 0 0 292.429 3.857 50 30 CHEARN C[C@@H]1CCCc2c(-c3ccccc3)c(C#N)c(N)nc21 ZINC000019095729 170752258 /nfs/dbraw/zinc/75/22/58/170752258.db2.gz QEZKPMXRGSAPLE-LLVKDONJSA-N 0 0 263.344 3.642 50 30 CHEARN Cc1ccc(C#N)c(SCc2ccc(F)cc2)n1 ZINC000019957050 170941992 /nfs/dbraw/zinc/94/19/92/170941992.db2.gz YNLOWMCSTXOQIO-UHFFFAOYSA-N 0 0 258.321 3.693 50 30 CHEARN CN(C)c1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000020458571 171208796 /nfs/dbraw/zinc/20/87/96/171208796.db2.gz BPQKYSXGXIFVQQ-UHFFFAOYSA-N 0 0 297.305 3.767 50 30 CHEARN O=[N+]([O-])c1ccc(Cl)c(C=NNc2ccccc2)c1 ZINC000021988213 171345568 /nfs/dbraw/zinc/34/55/68/171345568.db2.gz ZQRXRFLZOWMUJZ-OQLLNIDSSA-N 0 0 275.695 3.694 50 30 CHEARN CC(C)CCC[C@H](C)NC(=O)c1cccc(C#N)c1 ZINC000022512167 171389204 /nfs/dbraw/zinc/38/92/04/171389204.db2.gz ZUVVNCPREQYBHL-ZDUSSCGKSA-N 0 0 258.365 3.503 50 30 CHEARN C=CCOc1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000032786772 171750638 /nfs/dbraw/zinc/75/06/38/171750638.db2.gz VWFQDNVYVJGYSW-GOSISDBHSA-N 0 0 293.366 3.669 50 30 CHEARN CCC[C@H](C)NC(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000040104337 174191462 /nfs/dbraw/zinc/19/14/62/174191462.db2.gz OJKUOWAYKAHREZ-VIFPVBQESA-N 0 0 265.744 3.522 50 30 CHEARN Cc1ccc(CNc2cc(C#N)cc([N+](=O)[O-])c2C)cc1 ZINC000040122909 174193738 /nfs/dbraw/zinc/19/37/38/174193738.db2.gz GFZXLAWPMKDCNC-UHFFFAOYSA-N 0 0 281.315 3.695 50 30 CHEARN C=C(C)CN(CC)C(=O)c1sccc1Br ZINC000040540317 174322119 /nfs/dbraw/zinc/32/21/19/174322119.db2.gz BBFAWJBPGFFSQV-UHFFFAOYSA-N 0 0 288.210 3.549 50 30 CHEARN CC(C)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 ZINC000044316384 175162521 /nfs/dbraw/zinc/16/25/21/175162521.db2.gz CHBRETSPUAHWHZ-UHFFFAOYSA-N 0 0 278.355 3.612 50 30 CHEARN C#CCCCC(=O)N1[C@@H](CC=C)C=C(C)C[C@@H]1CC=C ZINC000055226529 175574349 /nfs/dbraw/zinc/57/43/49/175574349.db2.gz FUEBZEFMBTWZML-IRXDYDNUSA-N 0 0 271.404 3.858 50 30 CHEARN C=CCn1cnc2c(-c3cc(C)ccc3C)csc2c1=O ZINC000064667632 175697677 /nfs/dbraw/zinc/69/76/77/175697677.db2.gz JKZCNFNGSBNLDL-UHFFFAOYSA-N 0 0 296.395 3.928 50 30 CHEARN C=CCOc1ccc(CN[C@H](C)c2nccs2)cc1 ZINC000070942611 176014914 /nfs/dbraw/zinc/01/49/14/176014914.db2.gz SYYQTEGMTVPKLS-GFCCVEGCSA-N 0 0 274.389 3.559 50 30 CHEARN N#Cc1cccnc1NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000071828003 176272344 /nfs/dbraw/zinc/27/23/44/176272344.db2.gz FKNYSTKPIDZUTF-DLBZAZTESA-N 0 0 293.370 3.533 50 30 CHEARN N#Cc1ccccc1SCc1noc(-c2ccsc2)n1 ZINC000071922099 176300897 /nfs/dbraw/zinc/30/08/97/176300897.db2.gz WJAJROMBBBYYSS-UHFFFAOYSA-N 0 0 299.380 3.962 50 30 CHEARN C=CCOc1cc(C(=O)NCc2ccco2)cc2occc21 ZINC000072240236 176347917 /nfs/dbraw/zinc/34/79/17/176347917.db2.gz ZFCLXATXQBCSSG-UHFFFAOYSA-N 0 0 297.310 3.521 50 30 CHEARN C=CCCC(=O)Nc1cccc(Br)c1C ZINC000072318916 176368608 /nfs/dbraw/zinc/36/86/08/176368608.db2.gz JAZYTWIYDSJMEY-UHFFFAOYSA-N 0 0 268.154 3.662 50 30 CHEARN N#Cc1ccc2ncc(-c3c[nH]c4ccccc43)nc2c1 ZINC000077024338 177153548 /nfs/dbraw/zinc/15/35/48/177153548.db2.gz HHJYLBZOUAKIFO-UHFFFAOYSA-N 0 0 270.295 3.650 50 30 CHEARN Cc1nc(CSCc2ccc(C#N)cc2)cs1 ZINC000078555820 177354024 /nfs/dbraw/zinc/35/40/24/177354024.db2.gz OANWMLHXTWGLAH-UHFFFAOYSA-N 0 0 260.387 3.757 50 30 CHEARN C=CCC(CC=C)C(=O)N[C@H]1CCC[C@H](SC)C1 ZINC000079101841 177433699 /nfs/dbraw/zinc/43/36/99/177433699.db2.gz ZTTTXTFTJXUDIA-KBPBESRZSA-N 0 0 267.438 3.545 50 30 CHEARN Cc1ncc(NC(=O)c2csc3c2CC[C@H](C)C3)cn1 ZINC000328914994 263901127 /nfs/dbraw/zinc/90/11/27/263901127.db2.gz JIMNUQIHFZSYPA-VIFPVBQESA-N 0 0 287.388 3.608 50 30 CHEARN COc1cccc(/C=N/c2ccc(C)cc2C)c1O ZINC000006508967 326818992 /nfs/dbraw/zinc/81/89/92/326818992.db2.gz VHNMQYWVZAUNMG-LICLKQGHSA-N 0 0 255.317 3.768 50 30 CHEARN Cc1ccccc1/N=C/c1cc2cccc(C)c2[nH]c1=O ZINC000017197995 326852605 /nfs/dbraw/zinc/85/26/05/326852605.db2.gz DLBYWPGYVVIKDO-YBFXNURJSA-N 0 0 276.339 3.896 50 30 CHEARN Cc1cc(C(=O)N[C@H](C#N)C2CCCCC2)sc1C ZINC000087567100 326992963 /nfs/dbraw/zinc/99/29/63/326992963.db2.gz ZWUUNIHYMDFOJS-CYBMUJFWSA-N 0 0 276.405 3.567 50 30 CHEARN CC(N=NC(=N)SCc1ccccc1)C(C)(C)C ZINC000013154485 518449568 /nfs/dbraw/zinc/44/95/68/518449568.db2.gz WUUQPEQWWIDBNG-WJDWOHSUSA-N 0 0 263.410 3.657 50 30 CHEARN CC#Cc1ccc(C#Cc2ccc(C#CC)cc2)cc1 ZINC000049597325 519346885 /nfs/dbraw/zinc/34/68/85/519346885.db2.gz NKYAZTNLESIVFY-UHFFFAOYSA-N 0 0 254.332 3.829 50 30 CHEARN N#CC(C#N)[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000079914 534541697 /nfs/dbraw/zinc/54/16/97/534541697.db2.gz UJNRFMIPHRZNRJ-QGZVFWFLSA-N 0 0 274.323 3.707 50 30 CHEARN CCCc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 ZINC000049054924 521394888 /nfs/dbraw/zinc/39/48/88/521394888.db2.gz FBQRWQXSFWFNMM-HNNXBMFYSA-N 0 0 264.328 3.524 50 30 CHEARN COc1ccc(C(=O)C=CNc2cccc([C@@H](C)O)c2)cc1 ZINC000000466722 523537758 /nfs/dbraw/zinc/53/77/58/523537758.db2.gz SAHALXKHFAVLJB-OCHBPSSRSA-N 0 0 297.354 3.557 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccccc2F)cc1OC ZINC000004322969 523541728 /nfs/dbraw/zinc/54/17/28/523541728.db2.gz KTVOJUDTZADZKS-VQHVLOKHSA-N 0 0 286.302 3.739 50 30 CHEARN N#Cc1ccc(N2CCC[C@H]2c2ccco2)c(F)c1 ZINC000116262334 534791168 /nfs/dbraw/zinc/79/11/68/534791168.db2.gz LOJPVGGZOSBRHJ-AWEZNQCLSA-N 0 0 256.280 3.632 50 30 CHEARN N#C[C@@H](C(=O)C1(c2ccc(F)cc2)CCC1)c1ccccn1 ZINC000049457401 526490401 /nfs/dbraw/zinc/49/04/01/526490401.db2.gz LNIDKTRIDBHBKQ-OAHLLOKOSA-N 0 0 294.329 3.519 50 30 CHEARN N#Cc1ccccc1OCCOc1cccc2cccnc21 ZINC000004870350 526747249 /nfs/dbraw/zinc/74/72/49/526747249.db2.gz VYNKBBRWQQKDTG-UHFFFAOYSA-N 0 0 290.322 3.564 50 30 CHEARN CCCCCCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000097960069 528133966 /nfs/dbraw/zinc/13/39/66/528133966.db2.gz ZHIZWCFEUPMZME-UHFFFAOYSA-N 0 0 278.352 3.603 50 30 CHEARN CC1(C#N)CCN(C(=O)NCCC2=CCCCCC2)CC1 ZINC000334611651 528836489 /nfs/dbraw/zinc/83/64/89/528836489.db2.gz WBEOKESLKPCHEZ-UHFFFAOYSA-N 0 0 289.423 3.602 50 30 CHEARN N#Cc1ccc(Sc2ccc(Cl)cc2)c(N)c1 ZINC000000167354 570387137 /nfs/dbraw/zinc/38/71/37/570387137.db2.gz YMANFQMMJMRHMN-UHFFFAOYSA-N 0 0 260.749 3.945 50 30 CHEARN CCCCCNc1oc(-c2ccccc2OC)nc1C#N ZINC000585152321 566828918 /nfs/dbraw/zinc/82/89/18/566828918.db2.gz OYSPZQSNRPCGEI-UHFFFAOYSA-N 0 0 285.347 3.824 50 30 CHEARN CN1c2ccccc2C(C)(C)/C1=C\C=C1\C=CC=CC1=O ZINC000202809197 566845197 /nfs/dbraw/zinc/84/51/97/566845197.db2.gz ZJJDGZLNAPTSBE-FGFUYGETSA-N 0 0 277.367 3.919 50 30 CHEARN N#Cc1ccccc1CSc1ncnc2sccc21 ZINC000003542371 566852027 /nfs/dbraw/zinc/85/20/27/566852027.db2.gz STJWHFSUIAKKCR-UHFFFAOYSA-N 0 0 283.381 3.855 50 30 CHEARN COc1cccc(/C=C\C(=O)c2ccc(C)cc2)c1OC ZINC000004582569 566872356 /nfs/dbraw/zinc/87/23/56/566872356.db2.gz KDHMKFRUTNFSMJ-QXMHVHEDSA-N 0 0 282.339 3.908 50 30 CHEARN N#Cc1ccc(Nc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000012761872 566883068 /nfs/dbraw/zinc/88/30/68/566883068.db2.gz ZKMOVHOBSKWGOP-UHFFFAOYSA-N 0 0 273.679 3.863 50 30 CHEARN N#Cc1ccc(C(F)(F)F)nc1-c1ccc(F)cc1 ZINC000047203960 566889169 /nfs/dbraw/zinc/88/91/69/566889169.db2.gz CABQBGGPSTTWFN-UHFFFAOYSA-N 0 0 266.197 3.778 50 30 CHEARN C=CCn1c(=S)[nH]nc1[C@H](C)Oc1ccc(Cl)cc1 ZINC000000163563 566899604 /nfs/dbraw/zinc/89/96/04/566899604.db2.gz XJJBRAXNGPCVIZ-VIFPVBQESA-N 0 0 295.795 3.920 50 30 CHEARN C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000001449257 566899632 /nfs/dbraw/zinc/89/96/32/566899632.db2.gz WPEWLGPWIZTGLS-FLIBITNWSA-N 0 0 295.816 3.727 50 30 CHEARN C#CCSc1n[nH]c(-c2ccc(CCCCC)cc2)n1 ZINC000002149214 566901955 /nfs/dbraw/zinc/90/19/55/566901955.db2.gz UPTHFIBKSUFYKI-UHFFFAOYSA-N 0 0 285.416 3.930 50 30 CHEARN Cc1ccc2c(c1)c1c3n2CCN(CCC#N)[C@H]3CCC1 ZINC000019316058 566904626 /nfs/dbraw/zinc/90/46/26/566904626.db2.gz HWJBOELNKXRKJA-KRWDZBQOSA-N 0 0 279.387 3.556 50 30 biogenic,in-vitro CHEARN C=CCN1c2ccccc2N=C(c2ccccc2)CC1=O ZINC000101232773 566904967 /nfs/dbraw/zinc/90/49/67/566904967.db2.gz HLLHKFHTIDXZLV-UHFFFAOYSA-N 0 0 276.339 3.730 50 30 CHEARN C=C[C@@H](C)C[C@@H](C)[C@@H]1O[C@H]1COCc1ccc(OC)cc1 ZINC000071786763 566916477 /nfs/dbraw/zinc/91/64/77/566916477.db2.gz VNGSBXQXXHDPJM-KNCCTNLNSA-N 0 0 290.403 3.828 50 30 CHEARN Cc1csc([C@@H](C#N)C(=O)C(C)(C)c2ccc(C)cc2)n1 ZINC000075127440 566936221 /nfs/dbraw/zinc/93/62/21/566936221.db2.gz SSJBPLJXJYGCPO-AWEZNQCLSA-N 0 0 298.411 3.914 50 30 CHEARN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccccc2)c1 ZINC000000293861 566963827 /nfs/dbraw/zinc/96/38/27/566963827.db2.gz IGTADUGPGNPAAA-OQLLNIDSSA-N 0 0 260.680 3.999 50 30 CHEARN Clc1nc2ccccc2nc1N=NCc1ccccc1 ZINC000242547634 566968226 /nfs/dbraw/zinc/96/82/26/566968226.db2.gz KOJDYXJTBAGOFE-UHFFFAOYSA-N 0 0 282.734 3.729 50 30 CHEARN COc1ccccc1/C=C/C(=O)c1cc(C)ccc1O ZINC000004037562 566975045 /nfs/dbraw/zinc/97/50/45/566975045.db2.gz VDPFEWCCQGZHGE-CSKARUKUSA-N 0 0 268.312 3.605 50 30 biogenic CHEARN COc1ccc2c(c1)ncc(C#N)c2Nc1ccccc1 ZINC000064438693 566975975 /nfs/dbraw/zinc/97/59/75/566975975.db2.gz GCGQTFHYINUWDY-UHFFFAOYSA-N 0 0 275.311 3.859 50 30 CHEARN Cc1oc2cc(C#N)c(C#N)cc2c1C(=O)c1cccs1 ZINC000036559130 567003959 /nfs/dbraw/zinc/00/39/59/567003959.db2.gz NVFNWRIDIGJQNE-UHFFFAOYSA-N 0 0 292.319 3.777 50 30 CHEARN COc1cccc(Nc2c(C#N)cnc3ccccc32)c1 ZINC000036913240 567007424 /nfs/dbraw/zinc/00/74/24/567007424.db2.gz MBSRXVGSYMFRBX-UHFFFAOYSA-N 0 0 275.311 3.859 50 30 CHEARN O=C(/C=C/c1ccc2nccnc2c1)c1ccc(F)cc1 ZINC000065532294 567010358 /nfs/dbraw/zinc/01/03/58/567010358.db2.gz HHXGUDSWAYSYFT-KRXBUXKQSA-N 0 0 278.286 3.665 50 30 CHEARN N#Cc1ccccc1CN1CCCc2cc(F)cc(F)c21 ZINC000037176500 567011448 /nfs/dbraw/zinc/01/14/48/567011448.db2.gz AQBUJVYYBFQFEG-UHFFFAOYSA-N 0 0 284.309 3.789 50 30 CHEARN CC(C)c1ccc(C[C@H](C)Nc2ccc(C#N)nn2)cc1 ZINC000170591312 567012339 /nfs/dbraw/zinc/01/23/39/567012339.db2.gz ZYVPTYMJSXSQRM-ZDUSSCGKSA-N 0 0 280.375 3.515 50 30 CHEARN CCOc1cc(Cl)ccc1NC(=O)N(C)[C@H](C)CC#N ZINC000089990943 567033699 /nfs/dbraw/zinc/03/36/99/567033699.db2.gz RZGHHENPOZTABF-SNVBAGLBSA-N 0 0 295.770 3.505 50 30 CHEARN CCOc1ccc(N=Cc2ccc([N+](=O)[O-])s2)cc1 ZINC000252462682 567051228 /nfs/dbraw/zinc/05/12/28/567051228.db2.gz VIOAMLZLMXNMNS-UHFFFAOYSA-N 0 0 276.317 3.806 50 30 CHEARN Cc1cc(C)cc(N=Cc2ccccc2[N+](=O)[O-])c1 ZINC000252462244 567052023 /nfs/dbraw/zinc/05/20/23/567052023.db2.gz QYOOCCYNTPXQSR-UHFFFAOYSA-N 0 0 254.289 3.962 50 30 CHEARN CCOc1ccc(N=Cc2n[nH]nc2-c2ccccc2)cc1 ZINC000252462212 567052331 /nfs/dbraw/zinc/05/23/31/567052331.db2.gz QSAVHDYAPVUWHM-UHFFFAOYSA-N 0 0 292.342 3.621 50 30 CHEARN Cc1ccc(N=Cc2ccc([N+](=O)[O-])s2)cc1F ZINC000252460844 567052437 /nfs/dbraw/zinc/05/24/37/567052437.db2.gz INYSWVQBHSKXEB-UHFFFAOYSA-N 0 0 264.281 3.854 50 30 CHEARN O=C(C=C1NC[C@@H](c2ccccc2)O1)c1ccc(Cl)cc1 ZINC000252506300 567060090 /nfs/dbraw/zinc/06/00/90/567060090.db2.gz VYSZAJKDBQTOGB-IUPCOXQMSA-N 0 0 299.757 3.725 50 30 CHEARN Cc1nc(N=NCc2c(F)cccc2Cl)sc1C ZINC000012374445 567060155 /nfs/dbraw/zinc/06/01/55/567060155.db2.gz XMZJSNDXWPBVMF-UUASQNMZSA-N 0 0 283.759 3.998 50 30 CHEARN N#C[C@@H]1CCC[C@H](Nc2ccc(SCCCO)cc2)C1 ZINC000252499616 567061256 /nfs/dbraw/zinc/06/12/56/567061256.db2.gz SCVMXRDKWAUQJV-HIFRSBDPSA-N 0 0 290.432 3.655 50 30 CHEARN C(=Nc1nc[nH]n1)c1c2ccccc2cc2ccccc21 ZINC000252593208 567065715 /nfs/dbraw/zinc/06/57/15/567065715.db2.gz BJMRXRMSJPSHIH-UHFFFAOYSA-N 0 0 272.311 3.862 50 30 CHEARN N#Cc1c2c(sc1N=Cc1ccc(O)cc1)CCCC2 ZINC000252604676 567066126 /nfs/dbraw/zinc/06/61/26/567066126.db2.gz GCSVJAUMTQBLEX-UHFFFAOYSA-N 0 0 282.368 3.955 50 30 CHEARN Cc1ccccc1N=C1SCC(=O)N1Cc1ccccc1 ZINC000252619415 567068245 /nfs/dbraw/zinc/06/82/45/567068245.db2.gz LOULRBFJFCCLAD-UHFFFAOYSA-N 0 0 296.395 3.758 50 30 CHEARN COC(=O)c1ccc(N=Cc2ccc(Cl)cc2)cc1 ZINC000252628009 567069574 /nfs/dbraw/zinc/06/95/74/567069574.db2.gz SGHCFBPMDBNWLY-UHFFFAOYSA-N 0 0 273.719 3.877 50 30 CHEARN CC(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O ZINC000002347529 567099488 /nfs/dbraw/zinc/09/94/88/567099488.db2.gz BKGGTYFTTOMFAV-MFOYZWKCSA-N 0 0 294.306 3.537 50 30 biogenic CHEARN Cc1cccc(-c2nc(C#N)c(N3CCC(C)CC3)o2)c1 ZINC000000467459 567103464 /nfs/dbraw/zinc/10/34/64/567103464.db2.gz GLUIEHMIZOYDRE-UHFFFAOYSA-N 0 0 281.359 3.758 50 30 CHEARN N#Cc1ccccc1NC(=O)c1cccc2ccccc21 ZINC000000453080 567104154 /nfs/dbraw/zinc/10/41/54/567104154.db2.gz YYALAGPTLGUCHG-UHFFFAOYSA-N 0 0 272.307 3.964 50 30 CHEARN C=CCN(C)C(=O)Nc1cc(-c2ccco2)ccc1F ZINC000225422408 567112173 /nfs/dbraw/zinc/11/21/73/567112173.db2.gz SNZRFIVKEROTPY-UHFFFAOYSA-N 0 0 274.295 3.735 50 30 CHEARN Cc1cc(-c2c(Cl)cccc2Cl)c(C#N)c(N)n1 ZINC000019875102 567123454 /nfs/dbraw/zinc/12/34/54/567123454.db2.gz IFCRQFZMSKVMFI-UHFFFAOYSA-N 0 0 278.142 3.818 50 30 CHEARN Cc1cc(-c2ccc(C(C)C)cc2)c(C#N)c(N)n1 ZINC000019866417 567124068 /nfs/dbraw/zinc/12/40/68/567124068.db2.gz UWJIJQXDUPMUHY-UHFFFAOYSA-N 0 0 251.333 3.634 50 30 CHEARN CSc1ncc(C#N)c(Sc2ccc(Cl)cc2)n1 ZINC000225536168 567142882 /nfs/dbraw/zinc/14/28/82/567142882.db2.gz LUFPARUENQAKMO-UHFFFAOYSA-N 0 0 293.804 3.875 50 30 CHEARN Cc1nnc(N[C@H](c2ccccc2)C2CC2)c(C#N)c1C ZINC000029441016 567155224 /nfs/dbraw/zinc/15/52/24/567155224.db2.gz WEBGLUSWEIJLMT-MRXNPFEDSA-N 0 0 278.359 3.528 50 30 CHEARN CC(C)(C)c1nc(C#N)c(NCCc2ccc(F)cc2)o1 ZINC000227154841 567156354 /nfs/dbraw/zinc/15/63/54/567156354.db2.gz GTTBKTGQRZOEKX-UHFFFAOYSA-N 0 0 287.338 3.637 50 30 CHEARN N#Cc1cn(Cc2ccc(Cl)cc2)c2ccccc2c1=O ZINC000057739791 567163687 /nfs/dbraw/zinc/16/36/87/567163687.db2.gz IMYMUZPIWVOVTK-UHFFFAOYSA-N 0 0 294.741 3.575 50 30 CHEARN N#Cc1c(NC(=O)CC2CCCC2)sc2c1CCC2 ZINC000003287282 567167989 /nfs/dbraw/zinc/16/79/89/567167989.db2.gz WRIGFLOVHSLCBC-UHFFFAOYSA-N 0 0 274.389 3.627 50 30 CHEARN CCCOc1ccccc1NC(=O)c1ccc(C#N)cc1 ZINC000003334535 567170131 /nfs/dbraw/zinc/17/01/31/567170131.db2.gz GQAVRQCPKAMEDX-UHFFFAOYSA-N 0 0 280.327 3.599 50 30 CHEARN N#Cc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000003360032 567171505 /nfs/dbraw/zinc/17/15/05/567171505.db2.gz WHRBHYILYZLLBN-UHFFFAOYSA-N 0 0 292.125 3.512 50 30 CHEARN Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000003506350 567176567 /nfs/dbraw/zinc/17/65/67/567176567.db2.gz GTXAXMHFNMNONQ-UHFFFAOYSA-N 0 0 270.313 3.926 50 30 CHEARN Cc1c(Cl)cccc1NC(=O)c1ccc(C#N)cc1 ZINC000003554162 567178404 /nfs/dbraw/zinc/17/84/04/567178404.db2.gz WDLZEMAOCVTHHL-UHFFFAOYSA-N 0 0 270.719 3.772 50 30 CHEARN CC(C)Oc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 ZINC000003562088 567178694 /nfs/dbraw/zinc/17/86/94/567178694.db2.gz VDJBZFLWDUTFAQ-UHFFFAOYSA-N 0 0 281.311 3.565 50 30 CHEARN Cc1nc2ccccn2c1C(=O)/C=C/c1ccc(F)cc1 ZINC000004003143 567182144 /nfs/dbraw/zinc/18/21/44/567182144.db2.gz GNTBQNBMTWWOJI-JXMROGBWSA-N 0 0 280.302 3.678 50 30 CHEARN Cc1cccc(N[C@@H](C#N)c2ccc(-n3ccnc3)cc2)c1 ZINC000004025484 567184854 /nfs/dbraw/zinc/18/48/54/567184854.db2.gz GMOUBHFYHUKCFO-SFHVURJKSA-N 0 0 288.354 3.858 50 30 CHEARN CCCC[C@@H]1CCC[S@@+](c2cc(O)ccc2[O-])C1 ZINC000004084795 567186392 /nfs/dbraw/zinc/18/63/92/567186392.db2.gz JJHMEXRLDBFMEI-XIKOKIGWSA-O 0 0 267.414 3.675 50 30 CHEARN COc1nc2c(c(-c3ccc[nH]3)c1C#N)Cc1ccccc1-2 ZINC000004307170 567191985 /nfs/dbraw/zinc/19/19/85/567191985.db2.gz KGOKUWVBHGKKKX-UHFFFAOYSA-N 0 0 287.322 3.528 50 30 CHEARN CC(C)N(CCC#N)C(=O)c1cc2c(cccc2F)s1 ZINC000069413893 567200043 /nfs/dbraw/zinc/20/00/43/567200043.db2.gz RLMXSRWKXWUPRL-UHFFFAOYSA-N 0 0 290.363 3.805 50 30 CHEARN C[C@H]1C[C@@H]1c1ccc(CN(c2ccc(C#N)cn2)C2CC2)o1 ZINC000042103225 567206220 /nfs/dbraw/zinc/20/62/20/567206220.db2.gz HSQLCJHPFQYRRD-LRDDRELGSA-N 0 0 293.370 3.839 50 30 CHEARN Oc1cccc(/C=N/c2ccc(Br)cc2)c1O ZINC000000136774 567819600 /nfs/dbraw/zinc/81/96/00/567819600.db2.gz REDZRGGFOKZFIX-OVCLIPMQSA-N 0 0 292.132 3.611 50 30 CHEARN Cc1c(C)c(C)c(C(=O)/C(=N/N)c2ccccc2)c(C)c1C ZINC000000137643 567819629 /nfs/dbraw/zinc/81/96/29/567819629.db2.gz PKPLICUVJGFQLF-DYTRJAOYSA-N 0 0 294.398 3.774 50 30 CHEARN CC(=O)N(C)c1ccc(/N=C/c2c[nH]c3ccccc23)cc1 ZINC000000297848 567824323 /nfs/dbraw/zinc/82/43/23/567824323.db2.gz QVKUSNVIRHKJET-YBFXNURJSA-N 0 0 291.354 3.901 50 30 CHEARN NC(=O)c1cccc(/N=C/c2ccc(Cl)cc2Cl)c1 ZINC000000297187 567824397 /nfs/dbraw/zinc/82/43/97/567824397.db2.gz RYMIUFHWKHIODF-QGMBQPNBSA-N 0 0 293.153 3.843 50 30 CHEARN COc1cccc(NC=CC(=O)c2ccc(C)cc2)c1 ZINC000000305404 567824705 /nfs/dbraw/zinc/82/47/05/567824705.db2.gz NGWMNUJEKRAGPM-ZHACJKMWSA-N 0 0 267.328 3.812 50 30 CHEARN C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000000328870 567825597 /nfs/dbraw/zinc/82/55/97/567825597.db2.gz SZUIRCXOEZXHPQ-CYBMUJFWSA-N 0 0 296.395 3.872 50 30 CHEARN CO[C@]1(C)C(C)(C)[C@H](c2ccc(Cl)cc2)C1(C#N)C#N ZINC000000340748 567825956 /nfs/dbraw/zinc/82/59/56/567825956.db2.gz FNOZGXLMDPALNO-DZGCQCFKSA-N 0 0 288.778 3.902 50 30 CHEARN N#C[C@H](C(=O)c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000000351391 567826346 /nfs/dbraw/zinc/82/63/46/567826346.db2.gz URVURLUGSHDFJT-GFCCVEGCSA-N 0 0 296.326 3.925 50 30 CHEARN N#C[C@@H]1C=Cc2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000000398962 567829304 /nfs/dbraw/zinc/82/93/04/567829304.db2.gz LUVKPKVQLSIRFM-HNNXBMFYSA-N 0 0 294.741 3.906 50 30 CHEARN CCOc1ccccc1/C=N/c1cc([N+](=O)[O-])ccc1F ZINC000000588138 567834150 /nfs/dbraw/zinc/83/41/50/567834150.db2.gz OMVSCRQUQHGQON-LICLKQGHSA-N 0 0 288.278 3.883 50 30 CHEARN Cc1ccc(S(=O)(=O)OCC23CCC(CC2)CC3)cc1 ZINC000001719138 567842449 /nfs/dbraw/zinc/84/24/49/567842449.db2.gz JLNJPLJDELGGKP-UHFFFAOYSA-N 0 0 294.416 3.671 50 30 CHEARN C[C@]1(C(Cl)(Cl)Cl)C=C(Cl)C(=O)C(=O)C1 ZINC000002028947 567843897 /nfs/dbraw/zinc/84/38/97/567843897.db2.gz YJQLSFSYWYXFIM-ZETCQYMHSA-N 0 0 275.946 3.510 50 30 CHEARN OCC/N=C1\CCc2c3cc(C4CCCCC4)ccc3[nH]c21 ZINC000002075274 567844489 /nfs/dbraw/zinc/84/44/89/567844489.db2.gz JBYVFOPXRSPEMK-CZIZESTLSA-N 0 0 296.414 3.943 50 30 CHEARN CCCC[C@](C#N)(Cn1cncn1)c1ccc(Cl)cc1 ZINC000002041294 567844572 /nfs/dbraw/zinc/84/45/72/567844572.db2.gz HZJKXKUJVSEEFU-HNNXBMFYSA-N 0 0 288.782 3.583 50 30 in-vitro CHEARN CCCOc1ccc(NC=CC(=O)c2ccco2)cc1 ZINC000002841454 567849398 /nfs/dbraw/zinc/84/93/98/567849398.db2.gz QWUONXSTOBDTRV-MDZDMXLPSA-N 0 0 271.316 3.877 50 30 CHEARN CC(=O)Nc1ccc(NC(C)=CC(=O)c2ccccc2)cc1 ZINC000002963133 567850469 /nfs/dbraw/zinc/85/04/69/567850469.db2.gz ZFDBAHKBTNEPFX-SEYXRHQNSA-N 0 0 294.354 3.844 50 30 CHEARN COc1ccc(C(=O)C=CNc2cccc(C)c2)cc1 ZINC000003084103 567851309 /nfs/dbraw/zinc/85/13/09/567851309.db2.gz CXQYPQVMTIPUNL-ZHACJKMWSA-N 0 0 267.328 3.812 50 30 CHEARN N#CCc1nc(-c2ccc(Br)cc2)cs1 ZINC000004041643 567855165 /nfs/dbraw/zinc/85/51/65/567855165.db2.gz VBHJUUAUIGGAPS-UHFFFAOYSA-N 0 0 279.162 3.639 50 30 CHEARN COc1cccc(OC)c1C(=O)/C=C/c1ccccc1 ZINC000004252725 567856179 /nfs/dbraw/zinc/85/61/79/567856179.db2.gz GMODFQAQVHNPNU-VAWYXSNFSA-N 0 0 268.312 3.600 50 30 CHEARN COc1ccccc1N/C(=N\O)c1ccccc1Cl ZINC000004335891 567856912 /nfs/dbraw/zinc/85/69/12/567856912.db2.gz SYOJTHDDRLMHCR-UHFFFAOYSA-N 0 0 276.723 3.597 50 30 CHEARN Fc1cccc(C=NNc2nc3ccccc3s2)c1 ZINC000004478073 567857615 /nfs/dbraw/zinc/85/76/15/567857615.db2.gz ZRULDEIMPHJRAG-CXUHLZMHSA-N 0 0 271.320 3.881 50 30 CHEARN O=C(/C=C\c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000004567008 567858166 /nfs/dbraw/zinc/85/81/66/567858166.db2.gz AXGFLBXACOBKOU-SREVYHEPSA-N 0 0 259.286 3.552 50 30 CHEARN O=C1c2ccccc2CC/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000004547321 567858179 /nfs/dbraw/zinc/85/81/79/567858179.db2.gz WEBULUVFDZSBFP-SDNWHVSQSA-N 0 0 279.295 3.807 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(C)cc2)cc1 ZINC000004582426 567858429 /nfs/dbraw/zinc/85/84/29/567858429.db2.gz IFJLNOXFRRHOQD-GHXNOFRVSA-N 0 0 252.313 3.900 50 30 CHEARN Cc1c(/C=C/C(=O)c2ccc(C(C)C)cc2)cnn1C ZINC000004651987 567858663 /nfs/dbraw/zinc/85/86/63/567858663.db2.gz PHLRDJXHXHHVHR-MDZDMXLPSA-N 0 0 268.360 3.748 50 30 CHEARN N#Cc1nccnc1-c1ccc(OCc2ccccc2)cc1 ZINC000032581964 567863460 /nfs/dbraw/zinc/86/34/60/567863460.db2.gz WHJGEXOKGGSCNT-UHFFFAOYSA-N 0 0 287.322 3.594 50 30 CHEARN C=CCSc1ncnc2c1cnn2-c1ccc(C)cc1C ZINC000004341727 567863685 /nfs/dbraw/zinc/86/36/85/567863685.db2.gz PDYRSTYLUZUDLH-UHFFFAOYSA-N 0 0 296.399 3.710 50 30 CHEARN CN1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccc(C#N)cc1 ZINC000004377811 567864348 /nfs/dbraw/zinc/86/43/48/567864348.db2.gz CLQGFPUYYQAGDB-MJGOQNOKSA-N 0 0 287.366 3.511 50 30 CHEARN CSc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1 ZINC000032646570 567864369 /nfs/dbraw/zinc/86/43/69/567864369.db2.gz LLCRGYPQTROEDO-UVTDQMKNSA-N 0 0 295.363 3.627 50 30 CHEARN Cc1cccc(NC(=S)N=NC(C)c2cccc(N)c2)c1 ZINC000013115342 567864955 /nfs/dbraw/zinc/86/49/55/567864955.db2.gz OBRZQRFSJOTHEY-XDHOZWIPSA-N 0 0 298.415 3.699 50 30 CHEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccccc1F ZINC000016672994 567873464 /nfs/dbraw/zinc/87/34/64/567873464.db2.gz DUSJMFFLGIMECR-UVTDQMKNSA-N 0 0 298.342 3.717 50 30 CHEARN N#CN=C(Nc1cccc(Cl)c1)Oc1ccccc1 ZINC000017857556 567875984 /nfs/dbraw/zinc/87/59/84/567875984.db2.gz AXNZMLVEXHIEIX-UHFFFAOYSA-N 0 0 271.707 3.668 50 30 CHEARN CCCCCNC1=CC(=O)C[C@@H](c2ccccc2)C1 ZINC000017511174 567876271 /nfs/dbraw/zinc/87/62/71/567876271.db2.gz YSHXWVNUZDKYJC-HNNXBMFYSA-N 0 0 257.377 3.797 50 30 CHEARN N#CCCSc1nc(C2CC2)nc2ccccc21 ZINC000010838526 567881291 /nfs/dbraw/zinc/88/12/91/567881291.db2.gz YJWLBXPRUJEEJV-UHFFFAOYSA-N 0 0 255.346 3.513 50 30 CHEARN CC(C)CCn1c2ccccc2nc1SCC#N ZINC000032950410 567882921 /nfs/dbraw/zinc/88/29/21/567882921.db2.gz DQYMFSUFXXDQPG-UHFFFAOYSA-N 0 0 259.378 3.698 50 30 CHEARN CCCc1[nH]nc2c1C(=NO)C[C@H](C[C@H](C)SCC)C2 ZINC000104423913 567888689 /nfs/dbraw/zinc/88/86/89/567888689.db2.gz BUXDUGLGKALBHG-ZOTSVIKBSA-N 0 0 295.452 3.635 50 30 CHEARN Cc1cccc(-c2cc3c(nn2)-c2ccccc2/C3=N/[O-])c1 ZINC000013571670 567892606 /nfs/dbraw/zinc/89/26/06/567892606.db2.gz SJNKYWLPUYKYSH-UZYVYHOESA-N 0 0 287.322 3.659 50 30 CHEARN CC(C)(C)c1ccc(-c2nc(NC(=O)CC#N)cs2)cc1 ZINC000072333502 567895084 /nfs/dbraw/zinc/89/50/84/567895084.db2.gz UUAWLSGDFJJBMG-UHFFFAOYSA-N 0 0 299.399 3.960 50 30 CHEARN C=CCn1c(SCCC#N)nnc1C1CCCCC1 ZINC000058025887 567895437 /nfs/dbraw/zinc/89/54/37/567895437.db2.gz AYUYYQQPIASFND-UHFFFAOYSA-N 0 0 276.409 3.518 50 30 CHEARN C[C@H](C#N)CN(C)C(=O)c1ccccc1Oc1ccccc1 ZINC000058209962 567895799 /nfs/dbraw/zinc/89/57/99/567895799.db2.gz NQYBZVZHIBOBOH-CQSZACIVSA-N 0 0 294.354 3.711 50 30 CHEARN C/C(=N\OC(=O)c1cc2ccccc2s1)c1cc[nH]c1 ZINC000059593221 567896619 /nfs/dbraw/zinc/89/66/19/567896619.db2.gz BYPKJFXCYAJWDU-LICLKQGHSA-N 0 0 284.340 3.810 50 30 CHEARN N#Cc1ccc(C(F)(F)F)c(NCc2nccs2)c1 ZINC000097096955 567904159 /nfs/dbraw/zinc/90/41/59/567904159.db2.gz ZRVYKEOUQUVSQQ-UHFFFAOYSA-N 0 0 283.278 3.646 50 30 CHEARN C=C1N(CCc2ccccc2)C(=O)OC12CCCCC2 ZINC000000049436 567905707 /nfs/dbraw/zinc/90/57/07/567905707.db2.gz ODMINBZWMGSCQC-UHFFFAOYSA-N 0 0 271.360 3.898 50 30 CHEARN N#CC(Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000098063993 567911304 /nfs/dbraw/zinc/91/13/04/567911304.db2.gz YZEQPFWRUHCUKY-UHFFFAOYSA-N 0 0 257.283 3.890 50 30 CHEARN CCOC(=O)c1ccc(/N=C/c2ccc(N(C)C)cc2)cc1 ZINC000100031949 567911710 /nfs/dbraw/zinc/91/17/10/567911710.db2.gz WDJCHUJVAACQEA-CPNJWEJPSA-N 0 0 296.370 3.680 50 30 CHEARN Cn1cc(/C(Cc2ccccc2)=N/O)c2ccccc21 ZINC000100286654 567912627 /nfs/dbraw/zinc/91/26/27/567912627.db2.gz NBBRBCNWJLUMIY-FBMGVBCBSA-N 0 0 264.328 3.599 50 30 CHEARN CCC[C@@H]1/C(=N\O)C[C@@H](c2ccco2)N[C@@H]1c1ccco1 ZINC000100398616 567913072 /nfs/dbraw/zinc/91/30/72/567913072.db2.gz JMOPJIQNJJMZHQ-UEZGOJAXSA-N 0 0 288.347 3.895 50 30 CHEARN COC(=O)[C@@H](/N=C/c1ccc(Cl)cc1)c1ccccc1 ZINC000100911936 567914124 /nfs/dbraw/zinc/91/41/24/567914124.db2.gz AYZZZYYVDFDSOS-LZNAANCOSA-N 0 0 287.746 3.673 50 30 CHEARN CCCNC1=C(C(=O)CCC)C(=O)C[C@H](c2ccccc2)C1 ZINC000103115605 567915676 /nfs/dbraw/zinc/91/56/76/567915676.db2.gz IACKPBWPFNMPFE-OAHLLOKOSA-N 0 0 299.414 3.756 50 30 CHEARN CSC1=NC(C)(C)C[C@@]12C=CC(=O)c1ccccc12 ZINC000000105514 567922878 /nfs/dbraw/zinc/92/28/78/567922878.db2.gz GJPBKQLJAFTOSI-MRXNPFEDSA-N 0 0 271.385 3.621 50 30 CHEARN C=CC(=O)N[C@@H](c1ccco1)c1ccccc1OC ZINC000328599765 567922947 /nfs/dbraw/zinc/92/29/47/567922947.db2.gz TYOIIGXGEHFEME-OAHLLOKOSA-N 0 0 257.289 3.520 50 30 CHEARN N#Cc1cc(Cl)c(Cl)c(OC(F)(F)F)c1 ZINC000098210928 567922953 /nfs/dbraw/zinc/92/29/53/567922953.db2.gz FADLYMJUOGDQJL-UHFFFAOYSA-N 0 0 256.010 3.764 50 30 CHEARN O=C1/C(=C/c2ccccc2O)CC/C1=C/c1ccccc1O ZINC000000346874 567927012 /nfs/dbraw/zinc/92/70/12/567927012.db2.gz SWXUQQKBZLHYOF-UKVBVZPVSA-N 0 0 292.334 3.928 50 30 CHEARN O=C1ON=C(c2ccccc2)C1=CNc1ccc(Cl)cc1 ZINC000100329326 567927286 /nfs/dbraw/zinc/92/72/86/567927286.db2.gz YTHOKWNSDCDTRB-UVTDQMKNSA-N 0 0 298.729 3.597 50 30 CHEARN Nc1ccccc1NC=C1Sc2ccccc2C1=O ZINC000100424638 567927371 /nfs/dbraw/zinc/92/73/71/567927371.db2.gz VPLQNXIUVRWTOV-NTEUORMPSA-N 0 0 268.341 3.511 50 30 CHEARN N#Cc1c(/N=C/c2cccnc2)sc2c1CCCC2 ZINC000100729234 567928294 /nfs/dbraw/zinc/92/82/94/567928294.db2.gz SXTCDCHIBZVZPL-VCHYOVAHSA-N 0 0 267.357 3.644 50 30 CHEARN CCCc1nnc(-c2ccc(C(C)(C)C#N)cc2)s1 ZINC000426487609 567929096 /nfs/dbraw/zinc/92/90/96/567929096.db2.gz VERGWRBHZREGGX-UHFFFAOYSA-N 0 0 271.389 3.959 50 30 CHEARN CC(C)c1ccc(N[C@]2(C#N)c3ccccc3NC2=O)cc1 ZINC000000201703 567930113 /nfs/dbraw/zinc/93/01/13/567930113.db2.gz CDTSNXYJIPLUPC-GOSISDBHSA-N 0 0 291.354 3.593 50 30 CHEARN O=C1OC(c2ccccc2)N=C1C=Nc1ccccc1O ZINC000000438439 567930774 /nfs/dbraw/zinc/93/07/74/567930774.db2.gz IRPCEGJWSOWIST-LICLKQGHSA-N 0 0 280.283 3.503 50 30 CHEARN CC[C@@H](C)Nc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000000091807 567931525 /nfs/dbraw/zinc/93/15/25/567931525.db2.gz LTYRDPMOZHAWTD-GFCCVEGCSA-N 0 0 278.359 3.878 50 30 CHEARN CC(C)c1nc([C@H](C)Nc2ccc(C#N)nc2)cs1 ZINC000081003455 567933864 /nfs/dbraw/zinc/93/38/64/567933864.db2.gz CCDXIKTVPSNQTA-JTQLQIEISA-N 0 0 272.377 3.706 50 30 CHEARN C=CCOc1ccccc1CNc1cc(OC)ccc1OC ZINC000002894143 567937831 /nfs/dbraw/zinc/93/78/31/567937831.db2.gz ZGJWRXCJRWSBQL-UHFFFAOYSA-N 0 0 299.370 3.881 50 30 CHEARN Cc1oc(-c2ccccc2)c(C(=O)N[C@@H](C#N)C2CC2)c1C ZINC000189689746 567939244 /nfs/dbraw/zinc/93/92/44/567939244.db2.gz AJGGXDOCOIWFIP-HNNXBMFYSA-N 0 0 294.354 3.595 50 30 CHEARN O=Cc1ccc(OC(C(F)(F)F)C(F)(F)F)c(F)c1 ZINC000169725243 567939530 /nfs/dbraw/zinc/93/95/30/567939530.db2.gz NKMZUZKNODGMKD-UHFFFAOYSA-N 0 0 290.134 3.510 50 30 CHEARN Cc1ccc(-n2cc(-c3ccccc3)c(C#N)c2N)cc1 ZINC000000521794 567942459 /nfs/dbraw/zinc/94/24/59/567942459.db2.gz JCFDLGDOHBRADK-UHFFFAOYSA-N 0 0 273.339 3.907 50 30 CHEARN N#CCC[C@H](C#N)CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000105676190 567944995 /nfs/dbraw/zinc/94/49/95/567944995.db2.gz MSTOYVNTAJYNRW-CZUORRHYSA-N 0 0 287.794 3.920 50 30 CHEARN Cc1ccc(NC=CC(=O)c2ccc3c(c2)OCO3)c(C)c1 ZINC000044842399 567946021 /nfs/dbraw/zinc/94/60/21/567946021.db2.gz LFYNRCPHBXLEBN-BQYQJAHWSA-N 0 0 295.338 3.841 50 30 CHEARN CCOc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1 ZINC000004539024 570224671 /nfs/dbraw/zinc/22/46/71/570224671.db2.gz BDZFTVOWGRMIDN-LFYBBSHMSA-N 0 0 268.312 3.687 50 30 CHEARN N#CCCN1CCc2sccc2[C@@H]1c1cccs1 ZINC000025697797 570231037 /nfs/dbraw/zinc/23/10/37/570231037.db2.gz FVVOOQNAYQUWAK-CQSZACIVSA-N 0 0 274.414 3.671 50 30 CHEARN CCCCCCCCNC1=CC(=O)C(=O)c2ccccc21 ZINC000103010939 570260656 /nfs/dbraw/zinc/26/06/56/570260656.db2.gz FUGPNKCTNSAWMW-UHFFFAOYSA-N 0 0 285.387 3.743 50 30 CHEARN CCCC(Cl)=NOC(=O)Nc1cccc(F)c1 ZINC000100162864 570262231 /nfs/dbraw/zinc/26/22/31/570262231.db2.gz VHYKGGYZKOXRQT-XNTDXEJSSA-N 0 0 258.680 3.727 50 30 CHEARN NC(=O)c1ccccc1N=Cc1ccc(Cl)cc1Cl ZINC000252461428 570270243 /nfs/dbraw/zinc/27/02/43/570270243.db2.gz MHEZPIZBUVAKTJ-UHFFFAOYSA-N 0 0 293.153 3.843 50 30 CHEARN C=CCn1c(=S)[nH]nc1[C@H](C)Oc1ccc(C)cc1C ZINC000002536772 570271203 /nfs/dbraw/zinc/27/12/03/570271203.db2.gz UDQYETXTCVTUKW-LBPRGKRZSA-N 0 0 289.404 3.884 50 30 CHEARN CC(=CNNc1ccccc1)N=Nc1ccccc1 ZINC000222916963 570273963 /nfs/dbraw/zinc/27/39/63/570273963.db2.gz PBCYEYHNCCLWDT-UNZYHPAISA-N 0 0 252.321 3.572 50 30 CHEARN N#Cc1c(N)c(C(=O)C2CC2)sc1Nc1ccccc1 ZINC000000495516 570283031 /nfs/dbraw/zinc/28/30/31/570283031.db2.gz YKPOUUHMBHFVLB-UHFFFAOYSA-N 0 0 283.356 3.538 50 30 aggregator CHEARN N#Cc1cccc(OCc2csc(-c3ccccn3)n2)c1 ZINC000048333213 570297131 /nfs/dbraw/zinc/29/71/31/570297131.db2.gz QHFFNFDVJNBRJB-UHFFFAOYSA-N 0 0 293.351 3.656 50 30 CHEARN C=CCNC(=O)c1cc(-c2ccc(Cl)cc2)oc1C ZINC000012274741 570301691 /nfs/dbraw/zinc/30/16/91/570301691.db2.gz YAIUPVSKGRTODJ-UHFFFAOYSA-N 0 0 275.735 3.824 50 30 CHEARN C=CCOc1ccc(C(=O)NCCCc2ccccc2)cc1 ZINC000004841196 570319135 /nfs/dbraw/zinc/31/91/35/570319135.db2.gz KPWIUOKJTYZFQX-UHFFFAOYSA-N 0 0 295.382 3.614 50 30 CHEARN COc1cc2c(cc1NC(C)=CC(C)=O)c(C)c(C)n2C ZINC000001422564 570335333 /nfs/dbraw/zinc/33/53/33/570335333.db2.gz DBRAVNQBOHUKHU-JXMROGBWSA-N 0 0 286.375 3.708 50 30 CHEARN C=CCc1cc(C(=O)Nc2ccc(C)cc2)ccc1OC ZINC000014401673 570340611 /nfs/dbraw/zinc/34/06/11/570340611.db2.gz PUIBZVYCHRRSSR-UHFFFAOYSA-N 0 0 281.355 3.984 50 30 CHEARN C=CCn1c(C)nnc1SCc1ccccc1Cl ZINC000013989912 570340635 /nfs/dbraw/zinc/34/06/35/570340635.db2.gz XPGKVYZZIJIINY-UHFFFAOYSA-N 0 0 279.796 3.718 50 30 CHEARN Cc1ccc(-c2noc(-c3ccc(C#N)cc3)n2)s1 ZINC000015823271 570341247 /nfs/dbraw/zinc/34/12/47/570341247.db2.gz UVEOTDCSBFVUFK-UHFFFAOYSA-N 0 0 267.313 3.645 50 30 CHEARN C=CCc1ccccc1OCC[NH2+]Cc1ccccc1 ZINC000002821777 570371436 /nfs/dbraw/zinc/37/14/36/570371436.db2.gz ALXKJVJLAUXDLW-UHFFFAOYSA-N 0 0 267.372 3.584 50 30 CHEARN N#Cc1c2ccccc2nn1-c1ccc(Cl)cc1 ZINC000196359667 570377392 /nfs/dbraw/zinc/37/73/92/570377392.db2.gz BVEUUQBVCLKDDM-UHFFFAOYSA-N 0 0 253.692 3.551 50 30 CHEARN COc1ccccc1/C=C1\Cc2ccccc2C1=O ZINC000000084716 570382284 /nfs/dbraw/zinc/38/22/84/570382284.db2.gz CLFNHKWJZKXJQU-SDNWHVSQSA-N 0 0 250.297 3.518 50 30 CHEARN N#Cc1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000000135906 570386864 /nfs/dbraw/zinc/38/68/64/570386864.db2.gz OKFHWMLGUMHKFC-UHFFFAOYSA-N 0 0 282.368 3.751 50 30 CHEARN CC(C)c1ccccc1OCC(=O)Nc1cccc(C#N)c1 ZINC000000359111 570387809 /nfs/dbraw/zinc/38/78/09/570387809.db2.gz UJQXROJRYVBOEJ-UHFFFAOYSA-N 0 0 294.354 3.699 50 30 CHEARN COc1ccc(C=Nc2ccc(C)c(F)c2)cc1OC ZINC000252462697 570391383 /nfs/dbraw/zinc/39/13/83/570391383.db2.gz VLDFPRFNMXAPFF-UHFFFAOYSA-N 0 0 273.307 3.902 50 30 CHEARN N#Cc1cccnc1-c1ccccc1OC(F)(F)F ZINC000065530703 570393289 /nfs/dbraw/zinc/39/32/89/570393289.db2.gz ZBMDXBLRDIARLM-UHFFFAOYSA-N 0 0 264.206 3.519 50 30 CHEARN CCc1ccc(/C=C2\Cc3c(cccc3O)C2=O)cc1 ZINC000011335983 570394173 /nfs/dbraw/zinc/39/41/73/570394173.db2.gz HBWMMFFIAKGGFO-GXDHUFHOSA-N 0 0 264.324 3.777 50 30 CHEARN COc1ccc(-c2nc3c(cc2C#N)CCCC3)cc1OC ZINC000426368359 570394485 /nfs/dbraw/zinc/39/44/85/570394485.db2.gz WFMZSKBNQBNICJ-UHFFFAOYSA-N 0 0 294.354 3.516 50 30 CHEARN CC(=O)c1ccc(-c2nc(C)cc(C)c2C#N)s1 ZINC000426474389 570394556 /nfs/dbraw/zinc/39/45/56/570394556.db2.gz REDOFORHPIAHRS-UHFFFAOYSA-N 0 0 256.330 3.501 50 30 CHEARN Cc1cs/c(=N\N=C2CCCCC2)n1Cc1ccco1 ZINC000012570839 570395133 /nfs/dbraw/zinc/39/51/33/570395133.db2.gz BUNXLLQYGTZADP-ICFOKQHNSA-N 0 0 289.404 3.720 50 30 CHEARN CN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCCc2ccccc21 ZINC000023151902 1125583001 /nfs/dbraw/zinc/58/30/01/1125583001.db2.gz ILRYIRJIPOEENV-GOSISDBHSA-N 0 0 290.366 3.708 50 30 CHEARN COC(=O)c1occc1/C=C\C(=O)c1ccc(Cl)s1 ZINC000222037012 1125769276 /nfs/dbraw/zinc/76/92/76/1125769276.db2.gz KSEAWIVVLZIZRJ-IHWYPQMZSA-N 0 0 296.731 3.677 50 30 CHEARN N#CC(C(=O)NC1CCCCC1)=C(O)C=Cc1ccccc1 ZINC000082076733 1126756912 /nfs/dbraw/zinc/75/69/12/1126756912.db2.gz UKDZCYXUPSKIJE-PCUGXKRQSA-N 0 0 296.370 3.698 50 30 CHEARN C#CCCCCC(=O)Nc1c(C)[nH]nc1-c1ccccc1 ZINC000170614246 1126997393 /nfs/dbraw/zinc/99/73/93/1126997393.db2.gz XVNLOLIPICTWAO-UHFFFAOYSA-N 0 0 281.359 3.517 50 30 CHEARN Clc1ccc(N=C2SC[C@@H]3CCCCN23)cc1 ZINC000254447852 1127097687 /nfs/dbraw/zinc/09/76/87/1127097687.db2.gz IUHIEDNDUXHRCG-LBPRGKRZSA-N 0 0 266.797 3.929 50 30 CHEARN CN(CC1CCCCC1)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000029290279 1127118127 /nfs/dbraw/zinc/11/81/27/1127118127.db2.gz CZCKGFRNOHHUQX-VAWYXSNFSA-N 0 0 282.387 3.610 50 30 CHEARN Cc1ccc(/C=C/C(=O)c2ccc3c(c2)CCO3)s1 ZINC000012823526 1127931226 /nfs/dbraw/zinc/93/12/26/1127931226.db2.gz BZMVIVDEXHUEMB-AATRIKPKSA-N 0 0 270.353 3.888 50 30 CHEARN CCc1ccc(/C=C2/Oc3cc(O)ccc3C2=O)cc1 ZINC000033324162 1128499414 /nfs/dbraw/zinc/49/94/14/1128499414.db2.gz LJRYGGAANNKAPA-CXUHLZMHSA-N 0 0 266.296 3.571 50 30 CHEARN COc1cccc(/C=C2/Sc3ccccc3C2=O)c1O ZINC000033305726 1118727167 /nfs/dbraw/zinc/72/71/67/1118727167.db2.gz WSIVUFUSCUFAPO-NTEUORMPSA-N 0 0 284.336 3.730 50 30 CHEARN C=CCO[C@H](C)C(=O)N[C@H](CCC)c1ccc(F)cc1F ZINC000079102270 1119262052 /nfs/dbraw/zinc/26/20/52/1119262052.db2.gz QCTMVCOXTNQULM-IAQYHMDHSA-N 0 0 297.345 3.513 50 30 CHEARN C#Cc1cccc(NC(=O)N2C[C@H](C)CCC[C@H]2C)c1 ZINC000076069055 1119624351 /nfs/dbraw/zinc/62/43/51/1119624351.db2.gz XXTXJURRJCMGSG-ZIAGYGMSSA-N 0 0 270.376 3.710 50 30 CHEARN N#Cc1c(N)c(C#N)c(C2CC2)cc1-c1ccc(F)cc1 ZINC000003179261 1119678725 /nfs/dbraw/zinc/67/87/25/1119678725.db2.gz TWHQJFBNZRAGTC-UHFFFAOYSA-N 0 0 277.302 3.696 50 30 CHEARN C=C(C)CSc1nnc(NC2CCCCC2)s1 ZINC000047821624 1120795041 /nfs/dbraw/zinc/79/50/41/1120795041.db2.gz ZWJPKMJHLIOXIY-UHFFFAOYSA-N 0 0 269.439 3.951 50 30 CHEARN C=CCNC(=O)/C(=C\c1cccc(OC)c1)c1ccccc1 ZINC000032907837 1121024508 /nfs/dbraw/zinc/02/45/08/1121024508.db2.gz DNQHLEOUAINXSB-JXAWBTAJSA-N 0 0 293.366 3.538 50 30 CHEARN C[C@H](CC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000000860471 1121196675 /nfs/dbraw/zinc/19/66/75/1121196675.db2.gz ROYFLQACQXUEOF-CYBMUJFWSA-N 0 0 264.328 3.691 50 30 CHEARN C[C@H](c1ccccc1)[C@H](CS)NC(=O)OC(C)(C)C ZINC000685950277 1121620843 /nfs/dbraw/zinc/62/08/43/1121620843.db2.gz MANAXOOMAFCKST-YPMHNXCESA-N 0 0 281.421 3.613 50 30 CHEARN COc1ccc(CSc2nc(C)ccc2C#N)cc1 ZINC000019074823 1121631389 /nfs/dbraw/zinc/63/13/89/1121631389.db2.gz UQDQQTIXCGOTHV-UHFFFAOYSA-N 0 0 270.357 3.563 50 30 CHEARN O=C(C=C1NC[C@H](c2ccccc2)O1)c1ccc(Cl)cc1 ZINC000252506298 1121652797 /nfs/dbraw/zinc/65/27/97/1121652797.db2.gz VYSZAJKDBQTOGB-FCNRDGCESA-N 0 0 299.757 3.725 50 30 CHEARN CCC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000254517813 1121682334 /nfs/dbraw/zinc/68/23/34/1121682334.db2.gz GQDGOHVEZIYAJL-UHFFFAOYSA-N 0 0 269.304 3.821 50 30 CHEARN C=CCOc1cc(Cl)c(CN2CC[C@H]2C)cc1OC ZINC000820491567 1121903833 /nfs/dbraw/zinc/90/38/33/1121903833.db2.gz UTXFRPMZFACGOL-LLVKDONJSA-N 0 0 281.783 3.508 50 30 CHEARN C=CCOc1cc(Cl)c(CN2CC[C@@H]2C)cc1OC ZINC000820491568 1121903874 /nfs/dbraw/zinc/90/38/74/1121903874.db2.gz UTXFRPMZFACGOL-NSHDSACASA-N 0 0 281.783 3.508 50 30 CHEARN CCOc1ccccc1C=NN=c1[nH]c2ccccc2o1 ZINC000015924522 1121987127 /nfs/dbraw/zinc/98/71/27/1121987127.db2.gz UWUTXQZEELIURI-UHFFFAOYSA-N 0 0 281.315 3.673 50 30 CHEARN C#Cc1cccc(NC(=O)C2(c3ccccc3)CCC2)c1 ZINC000025614202 1124015561 /nfs/dbraw/zinc/01/55/61/1124015561.db2.gz FEROKGCYBSXOCX-UHFFFAOYSA-N 0 0 275.351 3.728 50 30 CHEARN CCC(C#N)(CC)c1nc(-c2ccc(C(F)F)nc2)no1 ZINC000599169694 1124066980 /nfs/dbraw/zinc/06/69/80/1124066980.db2.gz XOQVGRHINDACPI-UHFFFAOYSA-N 0 0 292.289 3.651 50 30 CHEARN O=C(c1ccco1)N1CCCSC1=Nc1ccccc1 ZINC000263592319 1125379448 /nfs/dbraw/zinc/37/94/48/1125379448.db2.gz ANDZPVSMSZLMMA-UHFFFAOYSA-N 0 0 286.356 3.546 50 30 CHEARN Cc1cc(C)c(C#N)c(SCC(=O)c2cccs2)n1 ZINC000000052948 1125418161 /nfs/dbraw/zinc/41/81/61/1125418161.db2.gz YKZZBXRNQJRYIP-UHFFFAOYSA-N 0 0 288.397 3.607 50 30 CHEARN N#Cc1cccc(Oc2ccc(Cl)cc2)c1C#N ZINC000000482202 1125423197 /nfs/dbraw/zinc/42/31/97/1125423197.db2.gz UIKCPWQKPWBYQH-UHFFFAOYSA-N 0 0 254.676 3.876 50 30 CHEARN CCOc1cc(/C=C\C(=O)c2cccc(O)c2)ccc1OC ZINC000097993491 1129636149 /nfs/dbraw/zinc/63/61/49/1129636149.db2.gz DBFGENAPEQYTQV-CLFYSBASSA-N 0 0 298.338 3.696 50 30 CHEARN CCOc1cccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000098008537 1129638394 /nfs/dbraw/zinc/63/83/94/1129638394.db2.gz ZMJDRRBNJIWLNZ-KTKRTIGZSA-N 0 0 297.310 3.890 50 30 CHEARN O=C1c2ccc(O)c(O)c2C/C1=C/c1ccccc1Cl ZINC000098053031 1129642209 /nfs/dbraw/zinc/64/22/09/1129642209.db2.gz RZHAXEVXNNMPER-YFHOEESVSA-N 0 0 286.714 3.574 50 30 CHEARN COc1ccc(C(C)=NN2[C@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000254483948 1129696966 /nfs/dbraw/zinc/69/69/66/1129696966.db2.gz WVWQSPFLYDQOJZ-BETUJISGSA-N 0 0 290.407 3.691 50 30 CHEARN Cc1ccc(NC(=S)NN=C2C[C@@H]3CC=C[C@H]23)c(C)c1 ZINC000254614826 1129702779 /nfs/dbraw/zinc/70/27/79/1129702779.db2.gz AVLRAPXDMAWMOO-STQMWFEESA-N 0 0 285.416 3.542 50 30 CHEARN CCOc1ccc(C=NN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000254793569 1129710430 /nfs/dbraw/zinc/71/04/30/1129710430.db2.gz RJGVCVSDSYAGKX-OKILXGFUSA-N 0 0 260.381 3.682 50 30 CHEARN O=[N+]([O-])c1ccc(C=NNc2ccc3ccccc3c2)o1 ZINC000254789642 1129710671 /nfs/dbraw/zinc/71/06/71/1129710671.db2.gz WBHGMMGIGFADJW-UHFFFAOYSA-N 0 0 281.271 3.787 50 30 aggregator CHEARN N#Cc1ccccc1NC(=O)Nc1cccc(Cl)c1 ZINC000000184873 1129732244 /nfs/dbraw/zinc/73/22/44/1129732244.db2.gz DYNXMDAIFXXRPE-UHFFFAOYSA-N 0 0 271.707 3.856 50 30 CHEARN COc1ccc(/C=N/c2cccc3ncccc23)cc1 ZINC000017752175 230371894 /nfs/dbraw/zinc/37/18/94/230371894.db2.gz GBVCKGVVBYYNTE-XDHOZWIPSA-N 0 0 262.312 3.994 50 30 CHEARN CC(C)c1nnc(NC(=O)CCn2ccc3ccccc32)[nH]1 ZINC000095479142 184997440 /nfs/dbraw/zinc/99/74/40/184997440.db2.gz PWHZAAWFNDQQTH-UHFFFAOYSA-N 0 0 297.362 3.561 50 30 CHEARN O=C1C=C(NC2CCCCC2)C[C@H](c2ccccc2)C1 ZINC000003899608 230367900 /nfs/dbraw/zinc/36/79/00/230367900.db2.gz VESAURMHFWYJAS-HNNXBMFYSA-N 0 0 269.388 3.939 50 30 CHEARN Cc1ccc(NC(=O)Nc2sccc2C#N)cc1 ZINC000002657910 169819218 /nfs/dbraw/zinc/81/92/18/169819218.db2.gz JYBBXRYGZNDBOA-UHFFFAOYSA-N 0 0 257.318 3.572 50 30 CHEARN N#Cc1cccnc1NCC1(c2ccncc2)CCCCC1 ZINC000096011354 185065567 /nfs/dbraw/zinc/06/55/67/185065567.db2.gz JNALBHCQBONMDU-UHFFFAOYSA-N 0 0 292.386 3.662 50 30 CHEARN COc1cc(/C=C\C(=O)c2ccc(F)c(F)c2)ccc1O ZINC000096765415 185111756 /nfs/dbraw/zinc/11/17/56/185111756.db2.gz YVIVMDLWUCANJH-KXFIGUGUSA-N 0 0 290.265 3.575 50 30 CHEARN O=C(/C=C/C=C\c1ccccc1)c1ccc2c(c1)OCO2 ZINC000096837323 185116701 /nfs/dbraw/zinc/11/67/01/185116701.db2.gz WNQMEKRZFHDEGB-MVTUOISNSA-N 0 0 278.307 3.868 50 30 CHEARN Cc1cccc(/C=C2/Cc3c(cccc3O)C2=O)c1 ZINC000096931937 185132485 /nfs/dbraw/zinc/13/24/85/185132485.db2.gz CGLJVTGKDOGMRD-LCYFTJDESA-N 0 0 250.297 3.523 50 30 CHEARN CN(CCC#N)c1ccc([C@@H]2Nc3ccccc3O2)cc1 ZINC000006544611 529870091 /nfs/dbraw/zinc/87/00/91/529870091.db2.gz PRMDKUVMVHTXGC-QGZVFWFLSA-N 0 0 279.343 3.540 50 30 CHEARN Cc1ccc(C(=O)C(C#N)=NNc2cccc(Cl)c2)cc1 ZINC000103538831 185849451 /nfs/dbraw/zinc/84/94/51/185849451.db2.gz RZUJQBGPFICPAJ-HMMYKYKNSA-N 0 0 297.745 3.823 50 30 CHEARN C=CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000091595512 180201702 /nfs/dbraw/zinc/20/17/02/180201702.db2.gz DHRDWIKGXZEUFR-MRXNPFEDSA-N 0 0 293.794 3.583 50 30 CHEARN O=C1c2ccccc2C(=O)C1=Cc1c(F)cccc1Cl ZINC000000102705 169536870 /nfs/dbraw/zinc/53/68/70/169536870.db2.gz ZUJGBJOMXASTNZ-UHFFFAOYSA-N 0 0 286.689 3.942 50 30 CHEARN CCC(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1 ZINC000000109795 169539435 /nfs/dbraw/zinc/53/94/35/169539435.db2.gz UOEMXTRCLVFERL-UHFFFAOYSA-N 0 0 295.342 3.711 50 30 CHEARN CCOc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1 ZINC000000243097 169584535 /nfs/dbraw/zinc/58/45/35/169584535.db2.gz ULZYQFCXFXYXBU-QGOAFFKASA-N 0 0 268.360 3.902 50 30 CHEARN C=C(C)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000000264107 169591036 /nfs/dbraw/zinc/59/10/36/169591036.db2.gz ZVEAXMKWJOBAJH-UHFFFAOYSA-N 0 0 277.327 3.745 50 30 CHEARN O=[N+]([O-])c1ccccc1/C=N/c1ccccc1Cl ZINC000000358058 169616237 /nfs/dbraw/zinc/61/62/37/169616237.db2.gz PMTVGHRWZFDOMT-OQLLNIDSSA-N 0 0 260.680 3.999 50 30 CHEARN CC1=C(c2ccccc2)[C@@](O)(c2ccccc2)[C@@H](C)C1=O ZINC000000391473 169627594 /nfs/dbraw/zinc/62/75/94/169627594.db2.gz VAAQGIJITBVELH-LIRRHRJNSA-N 0 0 278.351 3.567 50 30 CHEARN N#CC1=C(N)C(c2ccccc2)(c2ccccc2)CC1 ZINC000000391295 169627609 /nfs/dbraw/zinc/62/76/09/169627609.db2.gz VLYVWDHSBNJOES-CQSZACIVSA-N 0 0 260.340 3.926 50 30 CHEARN C=CCn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O ZINC000004056265 184530636 /nfs/dbraw/zinc/53/06/36/184530636.db2.gz VCPXFEMBRDEMJB-UHFFFAOYSA-N 0 0 296.395 3.928 50 30 CHEARN CC1CCN(c2oc(-c3cccs3)nc2C#N)CC1 ZINC000000529023 169662853 /nfs/dbraw/zinc/66/28/53/169662853.db2.gz TVJCKNYYOVPZGS-UHFFFAOYSA-N 0 0 273.361 3.511 50 30 CHEARN CCOc1ccc(-c2nc(C#N)c(N3CCCCC3)o2)cc1 ZINC000000529208 169663189 /nfs/dbraw/zinc/66/31/89/169663189.db2.gz JAZQBSOYACSTFE-UHFFFAOYSA-N 0 0 297.358 3.602 50 30 CHEARN CCCCCCCCNC(=O)c1ccccc1F ZINC000002057624 260008078 /nfs/dbraw/zinc/00/80/78/260008078.db2.gz CGKJPPOCWOTTDD-UHFFFAOYSA-N 0 0 251.345 3.916 50 30 CHEARN CCCCCCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000002081491 260008218 /nfs/dbraw/zinc/00/82/18/260008218.db2.gz MGZLEMDLUJFYAX-UHFFFAOYSA-N 0 0 298.770 3.948 50 30 CHEARN Cc1cccc(N=Cc2c(O)ccc3ccccc32)n1 ZINC000238899561 256784416 /nfs/dbraw/zinc/78/44/16/256784416.db2.gz GOXMIRPGNYQUGX-UHFFFAOYSA-N 0 0 262.312 3.999 50 30 CHEARN Cc1cc(C)cc(C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000000611772 169674198 /nfs/dbraw/zinc/67/41/98/169674198.db2.gz DEHHJVFWDOLGBZ-UHFFFAOYSA-N 0 0 296.395 3.978 50 30 CHEARN O=C(c1ccccc1)[C@@H]1O[C@@H]1c1ccc(Cl)cc1 ZINC000001389315 169699185 /nfs/dbraw/zinc/69/91/85/169699185.db2.gz QZHVIBAUHZWGCS-CABCVRRESA-N 0 0 258.704 3.663 50 30 CHEARN COc1ccc(-c2cc(C)[nH]c(=S)c2C#N)cc1 ZINC000001439976 169706071 /nfs/dbraw/zinc/70/60/71/169706071.db2.gz GZWCMSMQAHCGED-UHFFFAOYSA-N 0 0 256.330 3.600 50 30 CHEARN COc1cccc(/C=C/C(=O)/C=C\c2ccc(C#N)cc2)c1 ZINC000097996515 533385595 /nfs/dbraw/zinc/38/55/95/533385595.db2.gz MQEDKELWTMAMRP-DSOJMZEYSA-N 0 0 289.334 3.863 50 30 CHEARN Cc1ccc(C(=O)N2c3ccccc3C=C[C@@H]2C#N)cc1 ZINC000000478166 134527638 /nfs/dbraw/zinc/52/76/38/134527638.db2.gz XDWWHAZSPYDPLI-MRXNPFEDSA-N 0 0 274.323 3.561 50 30 CHEARN CCCCCCCNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000002734353 169823076 /nfs/dbraw/zinc/82/30/76/169823076.db2.gz TXOMTHRKLJOQFN-CVEARBPZSA-N 0 0 259.393 3.877 50 30 CHEARN COc1ccc(Sc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000003104527 169856157 /nfs/dbraw/zinc/85/61/57/169856157.db2.gz HTTFLKUVSXOEFO-UHFFFAOYSA-N 0 0 286.312 3.626 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000003897280 169921743 /nfs/dbraw/zinc/92/17/43/169921743.db2.gz WDFJWHWYPOZAQG-MDWZMJQESA-N 0 0 265.356 3.957 50 30 CHEARN Cc1[n-]n(-c2ccccc2)c(=O)c1C=[NH+]C1CCCCC1 ZINC000004094480 169930644 /nfs/dbraw/zinc/93/06/44/169930644.db2.gz CICSLYOKWJUUTQ-LDADJPATSA-N 0 0 283.375 3.638 50 30 CHEARN C=CCSc1nnc(-c2ccc(F)cc2)n1CC=C ZINC000004145925 169937839 /nfs/dbraw/zinc/93/78/39/169937839.db2.gz VWPFIDSJFPMDTH-UHFFFAOYSA-N 0 0 275.352 3.548 50 30 CHEARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000004262515 169950357 /nfs/dbraw/zinc/95/03/57/169950357.db2.gz SJRIIEVLCFGBBR-RUDMXATFSA-N 0 0 271.247 3.630 50 30 CHEARN O=C(/C=C/c1ccccc1Cl)c1ccc(O)cc1 ZINC000004428581 169967665 /nfs/dbraw/zinc/96/76/65/169967665.db2.gz GTSKIPKSVPFFLB-JXMROGBWSA-N 0 0 258.704 3.942 50 30 CHEARN CC(C)(C)c1csc(N=NCc2cccc(O)c2)n1 ZINC000004616812 169990374 /nfs/dbraw/zinc/99/03/74/169990374.db2.gz REGKIQUFKNFTBY-OVCLIPMQSA-N 0 0 275.377 3.592 50 30 CHEARN O/N=C(\Nc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000004695447 170000230 /nfs/dbraw/zinc/00/02/30/170000230.db2.gz SFPWZRCGYUTPNJ-UHFFFAOYSA-N 0 0 280.249 3.953 50 30 in-vitro CHEARN CCC(=O)N(Cc1ccccc1)c1nc(C)cc(C)c1C#N ZINC000004707347 170002923 /nfs/dbraw/zinc/00/29/23/170002923.db2.gz CMZHDXXUEZCBJW-UHFFFAOYSA-N 0 0 293.370 3.513 50 30 CHEARN Oc1ccc(Br)cc1C=NNc1ccccc1 ZINC000004739159 170008619 /nfs/dbraw/zinc/00/86/19/170008619.db2.gz CUHVDGAHCMUDKL-OQLLNIDSSA-N 0 0 291.148 3.601 50 30 CHEARN O=[N+]([O-])c1ccc(/C=N/N=C2\C[C@@H](c3ccccc3)N=N2)o1 ZINC000004754539 170011806 /nfs/dbraw/zinc/01/18/06/170011806.db2.gz HCBKLYQNERFMTN-CGCFPDBZSA-N 0 0 297.274 3.517 50 30 CHEARN Clc1cccc(Cl)c1C=NNc1cccnc1 ZINC000004760435 170013321 /nfs/dbraw/zinc/01/33/21/170013321.db2.gz JHRJLDKRTWCAIW-LZYBPNLTSA-N 0 0 266.131 3.834 50 30 CHEARN Cc1cc(O)ccc1N=C1C=C(Cl)C(=O)C(Cl)=C1 ZINC000004786627 170017837 /nfs/dbraw/zinc/01/78/37/170017837.db2.gz HOSANFGGQUKMCU-UHFFFAOYSA-N 0 0 282.126 3.601 50 30 CHEARN CC(C)(C)[C@]1([C@@H]2O[C@H]2c2ccc(Cl)cc2)CO1 ZINC000004843812 170028783 /nfs/dbraw/zinc/02/87/83/170028783.db2.gz NTXHEYMUPOIYSN-OUCADQQQSA-N 0 0 252.741 3.595 50 30 CHEARN C=CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000004869824 170034894 /nfs/dbraw/zinc/03/48/94/170034894.db2.gz ZHXYUAKOSAIJLV-CQSZACIVSA-N 0 0 281.355 3.742 50 30 CHEARN Cc1cc([N+](=O)[O-])ccc1NC=CC(=O)c1cccs1 ZINC000004982236 170048657 /nfs/dbraw/zinc/04/86/57/170048657.db2.gz HFHFVUJGPNIMKQ-VOTSOKGWSA-N 0 0 288.328 3.773 50 30 CHEARN COc1ccc(OC)c(/C=C/C(=O)c2cccs2)c1 ZINC000005006612 170054149 /nfs/dbraw/zinc/05/41/49/170054149.db2.gz BHIDTVASTJJROF-FNORWQNLSA-N 0 0 274.341 3.661 50 30 CHEARN N#CC1(C#N)[C@@H](C(=O)c2ccccc2)C12CCCCCC2 ZINC000005055020 170061961 /nfs/dbraw/zinc/06/19/61/170061961.db2.gz ACONXONDFMARBD-INIZCTEOSA-N 0 0 278.355 3.873 50 30 CHEARN C=CCN(C(=O)NC(=S)c1ccccc1)c1ccccc1 ZINC000005063801 170063034 /nfs/dbraw/zinc/06/30/34/170063034.db2.gz MOORZYYXIVWTEV-UHFFFAOYSA-N 0 0 296.395 3.764 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(C)cc2)c(OC)c1 ZINC000005073038 170064196 /nfs/dbraw/zinc/06/41/96/170064196.db2.gz YRNWOYJYVPHYFY-PKNBQFBNSA-N 0 0 282.339 3.908 50 30 CHEARN COc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1OC ZINC000005073087 170064214 /nfs/dbraw/zinc/06/42/14/170064214.db2.gz KDHMKFRUTNFSMJ-VAWYXSNFSA-N 0 0 282.339 3.908 50 30 CHEARN C[C@@H](Oc1ccccc1C#N)c1nnc(-c2ccccc2)o1 ZINC000005281658 170082271 /nfs/dbraw/zinc/08/22/71/170082271.db2.gz AMIYIMRRVSMFHG-GFCCVEGCSA-N 0 0 291.310 3.748 50 30 CHEARN COc1ccc(/N=C/c2cc(Cl)ccc2O)c(OC)c1 ZINC000005288083 170083126 /nfs/dbraw/zinc/08/31/26/170083126.db2.gz PXLKJRNBSGYKCW-RQZCQDPDSA-N 0 0 291.734 3.813 50 30 CHEARN CCc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000005295124 170083966 /nfs/dbraw/zinc/08/39/66/170083966.db2.gz OCHBLXZLXGWASU-ZDUSSCGKSA-N 0 0 294.354 3.527 50 30 CHEARN COc1cc(C#N)ccc1OCc1nc2ccccc2s1 ZINC000005429856 170098735 /nfs/dbraw/zinc/09/87/35/170098735.db2.gz MNXBORWNDBFZLY-UHFFFAOYSA-N 0 0 296.351 3.756 50 30 CHEARN C/C(=N\OCc1ccc(Cl)cc1)c1cnc(C)nc1C ZINC000005678555 170127446 /nfs/dbraw/zinc/12/74/46/170127446.db2.gz JJVUWLLKMHNZHQ-YBFXNURJSA-N 0 0 289.766 3.688 50 30 CHEARN C=C(C)Cn1c(COc2ccc(Cl)cc2)n[nH]c1=S ZINC000005685822 170129118 /nfs/dbraw/zinc/12/91/18/170129118.db2.gz YUWBEGIIMMQAQS-UHFFFAOYSA-N 0 0 295.795 3.749 50 30 CHEARN O=C1c2ccccc2CCC1=CNc1ccccc1O ZINC000005785729 170140436 /nfs/dbraw/zinc/14/04/36/170140436.db2.gz ZKQLAYNMBCJOCL-QBFSEMIESA-N 0 0 265.312 3.517 50 30 CHEARN N#Cc1c(N)n2c(cc1-c1ccccc1)nc1ccccc12 ZINC000005827042 170144592 /nfs/dbraw/zinc/14/45/92/170144592.db2.gz INCPKQPXGWNQOO-UHFFFAOYSA-N 0 0 284.322 3.608 50 30 aggregator CHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)c1c[nH]c2ccccc21 ZINC000005868203 170148752 /nfs/dbraw/zinc/14/87/52/170148752.db2.gz CDLLUNYTAKRBNX-GFCCVEGCSA-N 0 0 290.322 3.690 50 30 CHEARN CC[C@@H](c1ccc(O)cc1)[C@H](C#N)c1ccc(O)cc1 ZINC000005923219 170156022 /nfs/dbraw/zinc/15/60/22/170156022.db2.gz MUSZSITXXJNLPD-DLBZAZTESA-N 0 0 267.328 3.899 50 30 CHEARN O=C1c2ccccc2N/C1=C/c1ccc(Br)o1 ZINC000006229498 170183968 /nfs/dbraw/zinc/18/39/68/170183968.db2.gz VYFZHBILMOVCHU-YRNVUSSQSA-N 0 0 290.116 3.691 50 30 CHEARN CCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1 ZINC000006410622 170199154 /nfs/dbraw/zinc/19/91/54/170199154.db2.gz ORHQOZFGNLRQAQ-SDNWHVSQSA-N 0 0 280.323 3.744 50 30 CHEARN Cc1ccc(C(=O)N(CCC#N)Cc2ccccc2)cc1 ZINC000006426581 170200419 /nfs/dbraw/zinc/20/04/19/170200419.db2.gz ZIFSTCGYHMYUTF-UHFFFAOYSA-N 0 0 278.355 3.551 50 30 CHEARN C=CCn1c(=S)[nH]nc1-c1csc2c1CC[C@@H](C)C2 ZINC000006556191 170212877 /nfs/dbraw/zinc/21/28/77/170212877.db2.gz AMDCSXGQMORJKP-SECBINFHSA-N 0 0 291.445 3.980 50 30 CHEARN CN(CC#C[C@@]1(C)CCCC(C)(C)O1)c1ccccc1 ZINC000006659255 170223158 /nfs/dbraw/zinc/22/31/58/170223158.db2.gz WZLWKMFVYDGVKL-GOSISDBHSA-N 0 0 271.404 3.864 50 30 CHEARN C[C@H]1CCc2sc(C(=O)Nc3ccccc3C#N)cc2C1 ZINC000006726320 170233203 /nfs/dbraw/zinc/23/32/03/170233203.db2.gz SRQBELXMGIWYKN-NSHDSACASA-N 0 0 296.395 3.997 50 30 CHEARN CCc1c(C)scc1C(=O)Nc1ccccc1C#N ZINC000006730968 170235544 /nfs/dbraw/zinc/23/55/44/170235544.db2.gz MGBNDUITHRYPIU-UHFFFAOYSA-N 0 0 270.357 3.743 50 30 CHEARN C=CCSc1ccccc1C(=O)Nc1nccs1 ZINC000006747046 170239397 /nfs/dbraw/zinc/23/93/97/170239397.db2.gz WPLWYRGXPJBJTR-UHFFFAOYSA-N 0 0 276.386 3.674 50 30 CHEARN O=C(C=C1SCCS1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000006940023 170256913 /nfs/dbraw/zinc/25/69/13/170256913.db2.gz ATBHEAOJSAPPEO-VXGBXAGGSA-N 0 0 262.399 3.681 50 30 CHEARN COc1cccc(/C=C/C(=O)/C=C/c2ccc(C#N)cc2)c1 ZINC000007335057 170278098 /nfs/dbraw/zinc/27/80/98/170278098.db2.gz MQEDKELWTMAMRP-WGDLNXRISA-N 0 0 289.334 3.863 50 30 CHEARN COc1ccc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc1 ZINC000007743971 170300256 /nfs/dbraw/zinc/30/02/56/170300256.db2.gz SUPADZNCNDBIEM-DHZHZOJOSA-N 0 0 295.338 3.550 50 30 CHEARN C=CCNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000008074703 170317568 /nfs/dbraw/zinc/31/75/68/170317568.db2.gz NZDFTFNNERQMMH-GFCCVEGCSA-N 0 0 277.433 3.815 50 30 CHEARN N#Cc1ccccc1COc1cccc2c1CCC[C@@H]2O ZINC000008265282 170327487 /nfs/dbraw/zinc/32/74/87/170327487.db2.gz XPOBNTRUZQCGMP-KRWDZBQOSA-N 0 0 279.339 3.507 50 30 CHEARN CCOc1ccc(/C=C/C(=O)c2ccc(O)c(OC)c2)cc1 ZINC000008322730 170330879 /nfs/dbraw/zinc/33/08/79/170330879.db2.gz ZEYAOKSHMHMAOD-UXBLZVDNSA-N 0 0 298.338 3.696 50 30 CHEARN C=CCN1C(=S)N=NC1[C@H](C)Oc1cccc(C)c1C ZINC000008320916 170331128 /nfs/dbraw/zinc/33/11/28/170331128.db2.gz KEZWXIDMLFPBLC-LBPRGKRZSA-N 0 0 289.404 3.510 50 30 CHEARN C=CCn1cnnc1SCc1c(F)cccc1Cl ZINC000008403814 170335177 /nfs/dbraw/zinc/33/51/77/170335177.db2.gz VMAAFFJZUKEJLE-UHFFFAOYSA-N 0 0 283.759 3.549 50 30 CHEARN CC(=CC(=O)c1ccc(C)cc1)NCc1ccccc1 ZINC000008573636 170341357 /nfs/dbraw/zinc/34/13/57/170341357.db2.gz BWXALTAUTQXXLV-NTCAYCPXSA-N 0 0 265.356 3.871 50 30 CHEARN C=C(C)COc1cccc(C(=O)Nc2ccccc2)c1 ZINC000008570568 170341509 /nfs/dbraw/zinc/34/15/09/170341509.db2.gz ZBEPBXQKXMURPT-UHFFFAOYSA-N 0 0 267.328 3.894 50 30 CHEARN Cc1c(C)c([N+](=O)[O-])ccc1NC1=CC(=O)CC(C)(C)C1 ZINC000008683650 170345528 /nfs/dbraw/zinc/34/55/28/170345528.db2.gz QJKHGXGCVZOELD-UHFFFAOYSA-N 0 0 288.347 3.897 50 30 CHEARN N#Cc1ccccc1OCc1coc(-c2ccccc2)n1 ZINC000009452932 170377217 /nfs/dbraw/zinc/37/72/17/170377217.db2.gz MDLADIWMJHLLBC-UHFFFAOYSA-N 0 0 276.295 3.792 50 30 CHEARN C=C(C)COc1ccc(NC(=O)c2cccs2)cc1 ZINC000009812874 170385964 /nfs/dbraw/zinc/38/59/64/170385964.db2.gz LGOIMPIBWNLZNX-UHFFFAOYSA-N 0 0 273.357 3.955 50 30 CHEARN C=C(C)COc1ccccc1C(=O)N1CCCCCC1 ZINC000009877580 170388292 /nfs/dbraw/zinc/38/82/92/170388292.db2.gz GLATVOCQXCMWBG-UHFFFAOYSA-N 0 0 273.376 3.658 50 30 CHEARN C=CCSc1nc2ccccc2n1CC(=O)C(C)(C)C ZINC000012520366 170492610 /nfs/dbraw/zinc/49/26/10/170492610.db2.gz GQXUDNQMTYCCGH-UHFFFAOYSA-N 0 0 288.416 3.930 50 30 CHEARN N#Cc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1 ZINC000013011780 170528003 /nfs/dbraw/zinc/52/80/03/170528003.db2.gz BNXBCTHDSKAWCT-UHFFFAOYSA-N 0 0 290.366 3.578 50 30 CHEARN Cc1noc2c1[C@@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000013719800 170581371 /nfs/dbraw/zinc/58/13/71/170581371.db2.gz INAYZKGIHICFGG-OAHLLOKOSA-N 0 0 280.327 3.548 50 30 CHEARN N#Cc1cnc2c(Br)c(F)ccc2c1Cl ZINC000016697145 170709633 /nfs/dbraw/zinc/70/96/33/170709633.db2.gz CMCMGCDFPWBRAH-UHFFFAOYSA-N 0 0 285.503 3.661 50 30 CHEARN Cc1cccc(OCCC(=O)Nc2cccc(C#N)c2)c1C ZINC000020261468 171118913 /nfs/dbraw/zinc/11/89/13/171118913.db2.gz YBMKCWFRLBBSRL-UHFFFAOYSA-N 0 0 294.354 3.583 50 30 CHEARN Cc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccco1 ZINC000020324160 171151136 /nfs/dbraw/zinc/15/11/36/171151136.db2.gz QWWARMPAKBZUOU-UHFFFAOYSA-N 0 0 275.311 3.771 50 30 CHEARN C#Cc1cccc(NCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000029981259 171611747 /nfs/dbraw/zinc/61/17/47/171611747.db2.gz DAELHGKECPJOKC-UHFFFAOYSA-N 0 0 298.773 3.680 50 30 CHEARN COc1ccc(OC)c(C(=O)/C=C\c2cccs2)c1 ZINC000033472234 171804820 /nfs/dbraw/zinc/80/48/20/171804820.db2.gz YYFBJAFPDJWVSF-SREVYHEPSA-N 0 0 274.341 3.661 50 30 CHEARN C=CCNC(=O)c1cc2sc(C)cc2n1CC1CCC1 ZINC000037541835 173263894 /nfs/dbraw/zinc/26/38/94/173263894.db2.gz RYSXVTSHCCWOEP-UHFFFAOYSA-N 0 0 288.416 3.727 50 30 CHEARN O=C(/C=C\c1cccc(Cl)c1)c1ccc(O)cc1 ZINC000038143120 174134194 /nfs/dbraw/zinc/13/41/94/174134194.db2.gz RRETUMAHWMCIPI-WTKPLQERSA-N 0 0 258.704 3.942 50 30 CHEARN O=C1N=C(Nc2ccc(F)cc2)C(=Cc2cccnc2)S1 ZINC000039886140 174174478 /nfs/dbraw/zinc/17/44/78/174174478.db2.gz VEVZSEADCFFCBK-JYRVWZFOSA-N 0 0 299.330 3.748 50 30 CHEARN O=C1c2cc(Cl)ccc2O/C1=C\c1ccccc1O ZINC000039842336 174174561 /nfs/dbraw/zinc/17/45/61/174174561.db2.gz XJSZEMLMIBPIQA-AUWJEWJLSA-N 0 0 272.687 3.662 50 30 CHEARN Cc1ccccc1-n1ccnc1SCCCC#N ZINC000040024317 174183956 /nfs/dbraw/zinc/18/39/56/174183956.db2.gz KHBDHLFTVDSPCE-UHFFFAOYSA-N 0 0 257.362 3.577 50 30 CHEARN CC(C)(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000040090724 174189505 /nfs/dbraw/zinc/18/95/05/174189505.db2.gz COYHCDPIGVXDGB-UHFFFAOYSA-N 0 0 295.342 3.730 50 30 CHEARN C[C@H](NC(=O)C1(C#N)CCCC1)c1ccccc1Cl ZINC000040468674 174276853 /nfs/dbraw/zinc/27/68/53/174276853.db2.gz PKVNZHUNYBTVIQ-NSHDSACASA-N 0 0 276.767 3.601 50 30 CHEARN N#Cc1c(Cl)cc(Br)cc1Cl ZINC000063772425 175688276 /nfs/dbraw/zinc/68/82/76/175688276.db2.gz NKWBLKGGKNHCSU-UHFFFAOYSA-N 0 0 250.910 3.628 50 30 CHEARN CCO[C@@H](C)c1ccc(-c2ncccc2C#N)cc1 ZINC000067605683 175779093 /nfs/dbraw/zinc/77/90/93/175779093.db2.gz LWLZYZIQSQLACN-LBPRGKRZSA-N 0 0 252.317 3.718 50 30 CHEARN N#Cc1ccccc1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000071795754 176264368 /nfs/dbraw/zinc/26/43/68/176264368.db2.gz GYLVGAPYYLAQIK-ZYHUDNBSSA-N 0 0 296.292 3.865 50 30 CHEARN CCc1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)o1 ZINC000071817048 176269712 /nfs/dbraw/zinc/26/97/12/176269712.db2.gz AEKZRCHYEKUDAU-UHFFFAOYSA-N 0 0 285.347 3.522 50 30 CHEARN N#Cc1cccnc1NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000071828006 176272417 /nfs/dbraw/zinc/27/24/17/176272417.db2.gz FKNYSTKPIDZUTF-SJORKVTESA-N 0 0 293.370 3.533 50 30 CHEARN CC(=O)Nc1ccc(Cl)c(NCc2ccc(C#N)cc2)c1 ZINC000071896909 176292135 /nfs/dbraw/zinc/29/21/35/176292135.db2.gz RPXOBAADDPQQID-UHFFFAOYSA-N 0 0 299.761 3.782 50 30 CHEARN CC(C)(C)c1nc(CNCc2cccc(C#N)c2)cs1 ZINC000078394282 177337053 /nfs/dbraw/zinc/33/70/53/177337053.db2.gz XHAVZDOCEGIGRX-UHFFFAOYSA-N 0 0 285.416 3.602 50 30 CHEARN C#Cc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000013003297 261675142 /nfs/dbraw/zinc/67/51/42/261675142.db2.gz PSYZNIKMYYKUPS-DHZHZOJOSA-N 0 0 281.742 3.973 50 30 CHEARN CCc1ccccc1-c1noc(C2(C#N)CCCC2)n1 ZINC000273690396 328205655 /nfs/dbraw/zinc/20/56/55/328205655.db2.gz JLGVRMAVVRDSOZ-UHFFFAOYSA-N 0 0 267.332 3.634 50 30 CHEARN CC(C)=NOC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000000076155 326789099 /nfs/dbraw/zinc/78/90/99/326789099.db2.gz JWPIVBACZLENLH-UHFFFAOYSA-N 0 0 260.215 3.650 50 30 CHEARN O=C1c2ccccc2NC2(CCCC2)N1N=C1CCCC1 ZINC000000472962 326792377 /nfs/dbraw/zinc/79/23/77/326792377.db2.gz GLOJOZSMLUKOKD-UHFFFAOYSA-N 0 0 283.375 3.755 50 30 CHEARN Cc1c(CC(C)C)nc(N)c(C#N)c1-c1ccc(F)cc1 ZINC000019732153 326856750 /nfs/dbraw/zinc/85/67/50/326856750.db2.gz ZJRRNNGCHRTQLY-UHFFFAOYSA-N 0 0 283.350 3.849 50 30 CHEARN C1=C[C@H]2C[C@]3(O[C@@]34C[C@H]3C=C[C@@H]5C=C[C@@H]4[C@H]53)[C@@H]3C=C[C@@H]1[C@@H]23 ZINC000257355392 328758102 /nfs/dbraw/zinc/75/81/02/328758102.db2.gz ALTBPBKUUKCVED-MRHFAZSRSA-N 0 0 276.379 3.510 50 30 CHEARN C=C(C)CN(CC)C(=O)Nc1nc2ccccc2s1 ZINC000058344144 518594758 /nfs/dbraw/zinc/59/47/58/518594758.db2.gz GGCATDQAVGYKHI-UHFFFAOYSA-N 0 0 275.377 3.726 50 30 CHEARN C=C(C)COc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000012137993 518613456 /nfs/dbraw/zinc/61/34/56/518613456.db2.gz ZRJFKQIWYWIFLQ-UHFFFAOYSA-N 0 0 295.382 3.614 50 30 CHEARN CC(C)(C)OC(=O)CN=C(c1ccccc1)c1ccccc1 ZINC000000056807 518792271 /nfs/dbraw/zinc/79/22/71/518792271.db2.gz YSHDPXQDVKNPKA-UHFFFAOYSA-N 0 0 295.382 3.866 50 30 CHEARN CCCCCCCCCC[C@@H]1C[C@@H]2C[C@H](O)O[C@H]2O1 ZINC000252613462 520025287 /nfs/dbraw/zinc/02/52/87/520025287.db2.gz JBVBWQPXSQZSQR-KLHDSHLOSA-N 0 0 270.413 3.987 50 30 CHEARN N#Cc1ccc(N2CCC[C@@H]2c2ccco2)c(F)c1 ZINC000116262338 534788645 /nfs/dbraw/zinc/78/86/45/534788645.db2.gz LOJPVGGZOSBRHJ-CQSZACIVSA-N 0 0 256.280 3.632 50 30 CHEARN N#CCCc1cc(Cl)c(CCC#N)cc1Cl ZINC000003132310 526464968 /nfs/dbraw/zinc/46/49/68/526464968.db2.gz GUXVGVHSHPKXJJ-UHFFFAOYSA-N 0 0 253.132 3.906 50 30 CHEARN CCCCCCCCON1C(=O)c2ccccc2C1=O ZINC000097950830 528133499 /nfs/dbraw/zinc/13/34/99/528133499.db2.gz UZPJFZYFAYECOK-UHFFFAOYSA-N 0 0 275.348 3.575 50 30 CHEARN CCOc1ccc2ncc(C#N)c(N3CCC(C)CC3)c2c1 ZINC000016841788 535445114 /nfs/dbraw/zinc/44/51/14/535445114.db2.gz SRRPIRUMBZEWSL-UHFFFAOYSA-N 0 0 295.386 3.741 50 30 CHEARN COC(=O)CC1=C(C)C(=O)C[C@@H]2C(C)(C)CCC[C@]12C ZINC000000034192 567904674 /nfs/dbraw/zinc/90/46/74/567904674.db2.gz YTAQULCZDXWXPY-RHSMWYFYSA-N 0 0 278.392 3.671 50 30 biogenic CHEARN O=C(C=CNc1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000100405247 567913208 /nfs/dbraw/zinc/91/32/08/567913208.db2.gz GAADWVYOBUOUJB-AATRIKPKSA-N 0 0 283.171 3.762 50 30 CHEARN N#Cc1cc(C#N)c(-c2ccccc2)n2c3ccccc3nc12 ZINC000000983936 566835569 /nfs/dbraw/zinc/83/55/69/566835569.db2.gz ODDNEKXAHNGODG-UHFFFAOYSA-N 0 0 294.317 3.898 50 30 CHEARN C=CCNC(=O)[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000002500793 566859921 /nfs/dbraw/zinc/85/99/21/566859921.db2.gz JFSZAPMLZVPJDQ-JLAWEPINSA-N 0 0 289.378 3.586 50 30 CHEARN C=CCn1cc(C[NH2+][C@H](C)c2ccc(C)c(C)c2)c(C)n1 ZINC000055282257 566868594 /nfs/dbraw/zinc/86/85/94/566868594.db2.gz FHAUMWKOROZUDQ-OAHLLOKOSA-N 0 0 283.419 3.845 50 30 CHEARN C=C(C)CN(CC)C(=O)Nc1cccc(Cl)c1 ZINC000058310517 566874536 /nfs/dbraw/zinc/87/45/36/566874536.db2.gz SEBLHGKTZVUHAS-UHFFFAOYSA-N 0 0 252.745 3.770 50 30 CHEARN N#Cc1ccccc1NC(=O)c1cc2ccccc2o1 ZINC000000569566 566906368 /nfs/dbraw/zinc/90/63/68/566906368.db2.gz OCKDIKVOZNPJLU-UHFFFAOYSA-N 0 0 262.268 3.557 50 30 CHEARN O=[N+]([O-])c1cc(/N=C/c2ccc(O)cc2)ccc1Cl ZINC000000497876 566908738 /nfs/dbraw/zinc/90/87/38/566908738.db2.gz SYSVLHZZVIXEIY-OVCLIPMQSA-N 0 0 276.679 3.704 50 30 CHEARN Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004582555 566912332 /nfs/dbraw/zinc/91/23/32/566912332.db2.gz VFNVMOXZNIOBKS-WDZFZDKYSA-N 0 0 267.284 3.799 50 30 CHEARN O=[N+]([O-])c1ccc(Cl)c(/N=C/c2ccccc2O)c1 ZINC000002171505 566915516 /nfs/dbraw/zinc/91/55/16/566915516.db2.gz ZVVHJQVZXHJTGI-OVCLIPMQSA-N 0 0 276.679 3.704 50 30 CHEARN COc1ccc(/C=N\Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000104265437 566919903 /nfs/dbraw/zinc/91/99/03/566919903.db2.gz FAUNDYRHFPARJU-GDNBJRDFSA-N 0 0 288.328 3.730 50 30 CHEARN N#Cc1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cc1 ZINC000012919160 566927733 /nfs/dbraw/zinc/92/77/33/566927733.db2.gz BDUBCXMIMGCPAD-AWEZNQCLSA-N 0 0 297.383 3.989 50 30 CHEARN C=CCN1C(=O)c2ccccc2N[C@@H]1c1sccc1C ZINC000023986646 566930123 /nfs/dbraw/zinc/93/01/23/566930123.db2.gz UAFMIQBCBUAPPN-HNNXBMFYSA-N 0 0 284.384 3.809 50 30 CHEARN C[C@@H](C#N)Sc1n[nH]c(-c2cc(Cl)cc(Cl)c2)n1 ZINC000151093051 566955401 /nfs/dbraw/zinc/95/54/01/566955401.db2.gz GEVXDLWHLRQSLM-LURJTMIESA-N 0 0 299.186 3.783 50 30 CHEARN N#Cc1cnc2c(F)cccc2c1Nc1ccccc1 ZINC000064438801 566977391 /nfs/dbraw/zinc/97/73/91/566977391.db2.gz GGJALRDZSQYADJ-UHFFFAOYSA-N 0 0 263.275 3.989 50 30 CHEARN N#Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@@H](c1cccc(O)c1)N2 ZINC000016649151 566980014 /nfs/dbraw/zinc/98/00/14/566980014.db2.gz UJAWKDAXAYUVLQ-BMGDILEWSA-N 0 0 292.338 3.508 50 30 CHEARN COc1cc(SC)ccc1NC(=O)c1cccc(C#N)c1 ZINC000192713431 566984474 /nfs/dbraw/zinc/98/44/74/566984474.db2.gz BJGYWPRTNBXTKY-UHFFFAOYSA-N 0 0 298.367 3.541 50 30 CHEARN N#Cc1cccc(Br)c1OCCC(F)(F)F ZINC000169725856 566999140 /nfs/dbraw/zinc/99/91/40/566999140.db2.gz VFQOZFYQCOSZMV-UHFFFAOYSA-N 0 0 294.070 3.652 50 30 CHEARN CC(C)=C[C@@H]1[C@H](C(=O)O[C@@H]2CCCC[C@@H]2C#N)C1(C)C ZINC000170622833 567016148 /nfs/dbraw/zinc/01/61/48/567016148.db2.gz LJIIAUDKMQFNMS-KBUPBQIOSA-N 0 0 275.392 3.850 50 30 CHEARN CC(C)(O)C#CC1(O)CCCCCCCCCCC1 ZINC000003624076 567018047 /nfs/dbraw/zinc/01/80/47/567018047.db2.gz NYBRBVNFZJFIDN-UHFFFAOYSA-N 0 0 266.425 3.797 50 30 CHEARN C#Cc1cccc(NC(=O)N2C[C@@H](C)CCC[C@@H]2C)c1 ZINC000076069052 567029720 /nfs/dbraw/zinc/02/97/20/567029720.db2.gz XXTXJURRJCMGSG-KBPBESRZSA-N 0 0 270.376 3.710 50 30 CHEARN CCc1c(C)sc(NC(=O)c2ccccc2)c1C#N ZINC000016991833 567033860 /nfs/dbraw/zinc/03/38/60/567033860.db2.gz UPKMGFFODJTDDU-UHFFFAOYSA-N 0 0 270.357 3.743 50 30 CHEARN CC(=O)N(C)c1ccc(N=Cc2c[nH]c3ccccc23)cc1 ZINC000252462228 567051852 /nfs/dbraw/zinc/05/18/52/567051852.db2.gz QVKUSNVIRHKJET-UHFFFAOYSA-N 0 0 291.354 3.901 50 30 CHEARN Cc1nc2cc(N=Cc3cccc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000252463080 567053877 /nfs/dbraw/zinc/05/38/77/567053877.db2.gz YTBMZCSVRHPJMP-UHFFFAOYSA-N 0 0 280.287 3.530 50 30 CHEARN COc1cccc(/C=N/c2ccc(Cl)cc2)c1O ZINC000000271324 567054852 /nfs/dbraw/zinc/05/48/52/567054852.db2.gz WYECASLDHYCDBF-CXUHLZMHSA-N 0 0 261.708 3.805 50 30 CHEARN COc1ccc2c(c1)CCCC2=NOCc1ccccc1 ZINC000252475348 567056092 /nfs/dbraw/zinc/05/60/92/567056092.db2.gz YTSSZLVXESPBKE-UHFFFAOYSA-N 0 0 281.355 3.952 50 30 CHEARN C[C@H](Nc1ncnc2ccccc21)c1cccc(C#N)c1 ZINC000170644288 567061097 /nfs/dbraw/zinc/06/10/97/567061097.db2.gz STIRXWZMXYXNMW-LBPRGKRZSA-N 0 0 274.327 3.675 50 30 CHEARN CC(=O)Oc1ccc(C=Nc2ccc(C)cc2)cc1 ZINC000252622023 567067084 /nfs/dbraw/zinc/06/70/84/567067084.db2.gz NMTWWQMCXLYEOR-UHFFFAOYSA-N 0 0 253.301 3.671 50 30 CHEARN CN1c2ccccc2C(=O)/C1=C\N=Nc1ccccc1 ZINC000252614723 567067809 /nfs/dbraw/zinc/06/78/09/567067809.db2.gz JMNGHPKMNRYFKM-SQONSMICSA-N 0 0 263.300 3.944 50 30 CHEARN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1[C@H]1O[C@H]1C2=O ZINC000039941940 567088398 /nfs/dbraw/zinc/08/83/98/567088398.db2.gz JORKPPZTZOSXIM-RDADEBLPSA-N 0 0 288.431 3.976 50 30 CHEARN C#CCCCCCCCCC(=O)Nc1ccccn1 ZINC000002323913 567100707 /nfs/dbraw/zinc/10/07/07/567100707.db2.gz XPIDDPZCOMQBIY-UHFFFAOYSA-N 0 0 258.365 3.774 50 30 CHEARN C#Cc1cccc(NC(=O)c2c(F)cccc2Cl)c1 ZINC000012975356 567108482 /nfs/dbraw/zinc/10/84/82/567108482.db2.gz XQMBGJAQBJLLTN-UHFFFAOYSA-N 0 0 273.694 3.713 50 30 CHEARN C=C(Cl)CSc1nnc(Cc2cccs2)o1 ZINC000066261757 567116480 /nfs/dbraw/zinc/11/64/80/567116480.db2.gz OUEWCWPJBBAAGY-UHFFFAOYSA-N 0 0 272.782 3.567 50 30 CHEARN O=C(Nc1cccc2c1OCC[C@@H]2O)c1ccoc1C1CC1 ZINC000328588045 567119504 /nfs/dbraw/zinc/11/95/04/567119504.db2.gz NFBAANATKPDTDV-AWEZNQCLSA-N 0 0 299.326 3.609 50 30 CHEARN N#Cc1c(N)nc(-c2ccc(F)cc2)cc1-c1ccco1 ZINC000019848574 567121851 /nfs/dbraw/zinc/12/18/51/567121851.db2.gz WEZNDFHHRQIFQS-UHFFFAOYSA-N 0 0 279.274 3.602 50 30 CHEARN C=CCCC(=O)N1CCCC[C@H]1CSC(C)(C)C ZINC000390831978 567125245 /nfs/dbraw/zinc/12/52/45/567125245.db2.gz WKJLKBMXVOEILV-ZDUSSCGKSA-N 0 0 269.454 3.865 50 30 CHEARN CC(C)(C#N)CC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000280111313 567136798 /nfs/dbraw/zinc/13/67/98/567136798.db2.gz XVESQNSPJJQGBN-ZFWWWQNUSA-N 0 0 288.366 3.518 50 30 CHEARN Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(C)c2C)o1 ZINC000096346201 567140361 /nfs/dbraw/zinc/14/03/61/567140361.db2.gz LCAFOOIWPFLPSI-AWEZNQCLSA-N 0 0 282.343 3.526 50 30 CHEARN CCCC(=O)Nc1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000225576990 567146752 /nfs/dbraw/zinc/14/67/52/567146752.db2.gz HLKHEGUUSQFHLM-KBPBESRZSA-N 0 0 285.391 3.919 50 30 CHEARN Cc1cc(C(=O)Nc2cccc(C#N)c2)c2ccccc2n1 ZINC000002653598 567151363 /nfs/dbraw/zinc/15/13/63/567151363.db2.gz RCVRVLXWFCXSFI-UHFFFAOYSA-N 0 0 287.322 3.667 50 30 CHEARN Cc1ccc(-c2cc(C(F)F)n3ncc(C#N)c3n2)cc1C ZINC000002756193 567152776 /nfs/dbraw/zinc/15/27/76/567152776.db2.gz VVNMVLVSMDDXHQ-UHFFFAOYSA-N 0 0 298.296 3.822 50 30 CHEARN Cn1ccnc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 ZINC000057737282 567162019 /nfs/dbraw/zinc/16/20/19/567162019.db2.gz OMYJXXSMISAAMI-SNAWJCMRSA-N 0 0 281.142 3.623 50 30 CHEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccn2)c1 ZINC000003175217 567163372 /nfs/dbraw/zinc/16/33/72/567163372.db2.gz ZXSLLFDJCGUFRW-UHFFFAOYSA-N 0 0 296.374 3.567 50 30 CHEARN CCc1ccc(C(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000003287101 567167511 /nfs/dbraw/zinc/16/75/11/567167511.db2.gz HTUQOABOABCYTK-ZDUSSCGKSA-N 0 0 279.339 3.771 50 30 CHEARN Cc1cccc(C)c1Nc1nnc(SCC#N)s1 ZINC000003286771 567167728 /nfs/dbraw/zinc/16/77/28/567167728.db2.gz SPKLYPROFQECKD-UHFFFAOYSA-N 0 0 276.390 3.514 50 30 CHEARN Cc1ccc(NC(=O)c2ccc(C#N)cc2)c(Cl)c1 ZINC000003302519 567167863 /nfs/dbraw/zinc/16/78/63/567167863.db2.gz WCIMFCUXJLCYHG-UHFFFAOYSA-N 0 0 270.719 3.772 50 30 CHEARN C[C@H](C#N)Sc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000003505933 567175106 /nfs/dbraw/zinc/17/51/06/567175106.db2.gz GNHDFTTXLMAHRU-LLVKDONJSA-N 0 0 296.355 3.531 50 30 CHEARN CCN(Cc1cccc(F)c1)Cc1ccccc1C#N ZINC000058345015 567176151 /nfs/dbraw/zinc/17/61/51/567176151.db2.gz AUBICZKWTAQWMU-UHFFFAOYSA-N 0 0 268.335 3.719 50 30 CHEARN Cc1ccc(C)c(COC(=O)c2ccc(C#N)cc2)c1 ZINC000003474455 567176646 /nfs/dbraw/zinc/17/66/46/567176646.db2.gz NTEBIVJHQQMJDI-UHFFFAOYSA-N 0 0 265.312 3.532 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 ZINC000004046065 567184085 /nfs/dbraw/zinc/18/40/85/567184085.db2.gz OOINNLCMWQHXGE-ONNFQVAWSA-N 0 0 298.338 3.609 50 30 biogenic CHEARN CC(C)(C)c1cc(-c2ccccc2F)c(C#N)c(N)n1 ZINC000059370817 567193159 /nfs/dbraw/zinc/19/31/59/567193159.db2.gz RFLDBMFGGSMPEA-UHFFFAOYSA-N 0 0 269.323 3.639 50 30 CHEARN Cc1cccc(N(CCC#N)C(=O)Cc2cccs2)c1 ZINC000071796432 567205490 /nfs/dbraw/zinc/20/54/90/567205490.db2.gz CRYCEPPQCPFWLT-UHFFFAOYSA-N 0 0 284.384 3.546 50 30 CHEARN Cc1cccc(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1C ZINC000000061785 567817353 /nfs/dbraw/zinc/81/73/53/567817353.db2.gz SIYTWCLOONZSBF-CAOOACKPSA-N 0 0 298.298 3.691 50 30 CHEARN N#C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C#N ZINC000000078143 567817591 /nfs/dbraw/zinc/81/75/91/567817591.db2.gz WUSZCOSFCQWIPI-MRLCAUJQSA-N 0 0 256.308 3.557 50 30 CHEARN C[C@@H]1CC(C)(C)C[C@@]1(C#N)Nc1ccc(CC#N)cc1 ZINC000000094652 567817985 /nfs/dbraw/zinc/81/79/85/567817985.db2.gz OQSYYHSHARAGET-DYVFJYSZSA-N 0 0 267.376 3.883 50 30 CHEARN O=C(ON=C1CCCCC1)c1ccc(Cl)cc1 ZINC000000137537 567819612 /nfs/dbraw/zinc/81/96/12/567819612.db2.gz MTOKJJQNSPRCOU-UHFFFAOYSA-N 0 0 251.713 3.817 50 30 CHEARN Cc1cc(C)nc(S/C=C/C(=O)c2ccccc2F)n1 ZINC000000133869 567819699 /nfs/dbraw/zinc/81/96/99/567819699.db2.gz OGBFBWFKVLKSIE-BQYQJAHWSA-N 0 0 288.347 3.721 50 30 CHEARN Fc1ccc(NC(=S)NCc2ccccc2)cc1 ZINC000000143243 567820026 /nfs/dbraw/zinc/82/00/26/567820026.db2.gz USDRRALDGLJWSM-UHFFFAOYSA-N 0 0 260.337 3.724 50 30 CHEARN CC[C@]1(C)C[C@@](CC#N)(c2ccccc2OC)CCO1 ZINC000000171720 567821455 /nfs/dbraw/zinc/82/14/55/567821455.db2.gz OUPPYFQFNVASQA-SJORKVTESA-N 0 0 273.376 3.826 50 30 CHEARN Cc1ccc(/N=C/c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000000297584 567824222 /nfs/dbraw/zinc/82/42/22/567824222.db2.gz GPTNKSQNWOJOHQ-MHWRWJLKSA-N 0 0 254.289 3.962 50 30 CHEARN COc1ccc(C(=O)/C=C/C=C(Cl)Cl)cc1 ZINC000000294824 567824416 /nfs/dbraw/zinc/82/44/16/567824416.db2.gz PIEVAXRKLVXHQE-NSCUHMNNSA-N 0 0 257.116 3.753 50 30 CHEARN Cc1ccc(C(=O)C=CNc2ccc(F)cc2F)o1 ZINC000000467777 567832060 /nfs/dbraw/zinc/83/20/60/567832060.db2.gz QTTDZVILKWQZKT-VOTSOKGWSA-N 0 0 263.243 3.675 50 30 CHEARN CCOc1ccc(/N=C/c2ccc(C#N)cc2)cc1 ZINC000000498046 567833113 /nfs/dbraw/zinc/83/31/13/567833113.db2.gz WTTZYFPFXIZAOS-LDADJPATSA-N 0 0 250.301 3.708 50 30 CHEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(Cl)s1 ZINC000001093646 567835942 /nfs/dbraw/zinc/83/59/42/567835942.db2.gz LHSRSIMDZQRERE-UHFFFAOYSA-N 0 0 274.728 3.864 50 30 CHEARN CC(C)(c1ccccc1)c1ccc(OC[C@@H]2CO2)cc1 ZINC000001850278 567843808 /nfs/dbraw/zinc/84/38/08/567843808.db2.gz MHTUIBIYJWEQKA-QGZVFWFLSA-N 0 0 268.356 3.790 50 30 CHEARN CCOC(=O)C(CC)(CC)C(=O)/C=C/c1ccc(F)cc1 ZINC000002291837 567845601 /nfs/dbraw/zinc/84/56/01/567845601.db2.gz BMRIRMCUQMPXRS-FMIVXFBMSA-N 0 0 292.350 3.778 50 30 CHEARN CCc1ccc(C(=O)C=CNc2ccccc2O)cc1 ZINC000002830069 567849331 /nfs/dbraw/zinc/84/93/31/567849331.db2.gz ZIZDWCIKVDBPHV-VAWYXSNFSA-N 0 0 267.328 3.763 50 30 CHEARN CC(=O)Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1 ZINC000003196590 567852160 /nfs/dbraw/zinc/85/21/60/567852160.db2.gz GNHHNTXGQZYLNC-RQZCQDPDSA-N 0 0 288.734 3.755 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccccc2C)c(OC)c1 ZINC000004010115 567854495 /nfs/dbraw/zinc/85/44/95/567854495.db2.gz DKEHFCGFAAZJAQ-DHZHZOJOSA-N 0 0 282.339 3.908 50 30 CHEARN O=C(/C=C/c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000004113900 567855346 /nfs/dbraw/zinc/85/53/46/567855346.db2.gz NANZDXIFHBIVTM-RMKNXTFCSA-N 0 0 271.247 3.630 50 30 CHEARN Cc1ccc([C@@H](C#N)CC(=O)c2ccc(F)cc2)o1 ZINC000004108776 567855409 /nfs/dbraw/zinc/85/54/09/567855409.db2.gz FDDNCNRLXDQFSB-GFCCVEGCSA-N 0 0 257.264 3.607 50 30 CHEARN O=C(C=CNc1cc(Cl)ccc1O)c1cccs1 ZINC000004179183 567855725 /nfs/dbraw/zinc/85/57/25/567855725.db2.gz IYSOXNORXGPPLQ-AATRIKPKSA-N 0 0 279.748 3.916 50 30 CHEARN CO/C(=C\c1ccc(OC)cc1)C(=O)c1ccccc1 ZINC000004181006 567855925 /nfs/dbraw/zinc/85/59/25/567855925.db2.gz LHDQREIIQGYCKR-VBKFSLOCSA-N 0 0 268.312 3.565 50 30 CHEARN COc1ccc(C(=O)/C=C/c2cccc(F)c2)cc1 ZINC000004317039 567856484 /nfs/dbraw/zinc/85/64/84/567856484.db2.gz QLGKAFGARVTNOQ-BJMVGYQFSA-N 0 0 256.276 3.730 50 30 biogenic CHEARN COc1ccc(/C=C/C(=O)c2ccc(F)cc2)c(OC)c1 ZINC000004283222 567856594 /nfs/dbraw/zinc/85/65/94/567856594.db2.gz BZMXLKULLDWQBK-UXBLZVDNSA-N 0 0 286.302 3.739 50 30 CHEARN COc1ccc(NC=CC(=O)c2ccc(C)cc2)c(OC)c1 ZINC000004359352 567856950 /nfs/dbraw/zinc/85/69/50/567856950.db2.gz QFAQIAHLKMSZQU-ZHACJKMWSA-N 0 0 297.354 3.821 50 30 CHEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C ZINC000004521110 567857648 /nfs/dbraw/zinc/85/76/48/567857648.db2.gz BFPYWIDHMRZLRN-UEDWAMCQSA-N 0 0 296.410 3.613 50 30 biogenic CHEARN O=[N+]([O-])c1cccc(C=NN=c2[nH]c3ccccc3s2)c1 ZINC000004480752 567857736 /nfs/dbraw/zinc/85/77/36/567857736.db2.gz LGXZVSDMYLPCEX-OQLLNIDSSA-N 0 0 298.327 3.651 50 30 CHEARN CN1N=C2c3ccccc3CC[C@H]2[C@H]1c1ccc(C#N)cc1 ZINC000004377810 567864523 /nfs/dbraw/zinc/86/45/23/567864523.db2.gz CLQGFPUYYQAGDB-IEBWSBKVSA-N 0 0 287.366 3.511 50 30 CHEARN C/C(=N/OC(=O)c1ccc(C)cc1)c1cccs1 ZINC000013111778 567864725 /nfs/dbraw/zinc/86/47/25/567864725.db2.gz WSYNHGYSJDDXEV-PTNGSMBKSA-N 0 0 259.330 3.638 50 30 CHEARN CCN(CC)c1ccc(/C=N/c2ccccc2)c(O)c1 ZINC000013125572 567865286 /nfs/dbraw/zinc/86/52/86/567865286.db2.gz NJVXPGOKQZBFPC-QGOAFFKASA-N 0 0 268.360 3.989 50 30 CHEARN COC(=O)c1ccc(NC(=S)NC2CCCCC2)cc1 ZINC000013479072 567866215 /nfs/dbraw/zinc/86/62/15/567866215.db2.gz VIFRIMYFKGKSIP-UHFFFAOYSA-N 0 0 292.404 3.504 50 30 CHEARN Cc1cccc(C(=O)C=CNc2ccc(Cl)cn2)c1 ZINC000013465579 567866457 /nfs/dbraw/zinc/86/64/57/567866457.db2.gz VEBVTWVUGFZTPP-FPLPWBNLSA-N 0 0 272.735 3.852 50 30 CHEARN COc1ccc(CNC(=S)Nc2cccc(C)c2)cc1 ZINC000013468607 567866478 /nfs/dbraw/zinc/86/64/78/567866478.db2.gz VZFLBCPVVZIPAE-UHFFFAOYSA-N 0 0 286.400 3.902 50 30 CHEARN COc1ccc(NC(=S)NCc2cccs2)cc1 ZINC000013556262 567866668 /nfs/dbraw/zinc/86/66/68/567866668.db2.gz UOJOTAZXNLWDSC-UHFFFAOYSA-N 0 0 278.402 3.655 50 30 CHEARN O=C1c2ccccc2S/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000015229367 567870771 /nfs/dbraw/zinc/87/07/71/567870771.db2.gz YLKDLJHTBANTDU-NTEUORMPSA-N 0 0 283.308 3.924 50 30 CHEARN C#CCN(C(=O)CCc1ccc(CC)cc1)C1CCCCC1 ZINC000060163643 567873556 /nfs/dbraw/zinc/87/35/56/567873556.db2.gz NGNNQWQPICTEOT-UHFFFAOYSA-N 0 0 297.442 3.976 50 30 CHEARN Fc1ccc(NC(=S)NN=C2CCCCC2)c(F)c1 ZINC000017008985 567874520 /nfs/dbraw/zinc/87/45/20/567874520.db2.gz QCNBNKXZGSEIEU-UHFFFAOYSA-N 0 0 283.347 3.571 50 30 CHEARN Cc1cccc(C#N)c1NC1=CC(=O)CC(C)(C)C1 ZINC000017887351 567876094 /nfs/dbraw/zinc/87/60/94/567876094.db2.gz YCYWHFQKGCCNCZ-UHFFFAOYSA-N 0 0 254.333 3.552 50 30 CHEARN N#CN=C(Nc1ccc(Cl)cc1)Oc1ccccc1 ZINC000018084371 567876400 /nfs/dbraw/zinc/87/64/00/567876400.db2.gz QZRFYEVRIYMHPR-UHFFFAOYSA-N 0 0 271.707 3.668 50 30 CHEARN C=CC(C)(C)[C@H]1Nc2ccccc2[C@@H]1CCCCO ZINC000012381796 567881153 /nfs/dbraw/zinc/88/11/53/567881153.db2.gz CFWDENGKAQIHGO-HOCLYGCPSA-N 0 0 259.393 3.939 50 30 CHEARN N#Cc1cccc(NC(=O)c2cccc3ccccc32)c1 ZINC000000453100 567884081 /nfs/dbraw/zinc/88/40/81/567884081.db2.gz RWZMSXAYYCBQLO-UHFFFAOYSA-N 0 0 272.307 3.964 50 30 CHEARN O=C1/C(=C/c2ccc(Cl)cc2Cl)N2CCC1CC2 ZINC000032550908 567886082 /nfs/dbraw/zinc/88/60/82/567886082.db2.gz FPHYQQZKQIBTNA-QPEQYQDCSA-N 0 0 282.170 3.629 50 30 CHEARN Cc1cccc2sc(NC(=O)CN3CCCCC3)nc21 ZINC000051448932 567893788 /nfs/dbraw/zinc/89/37/88/567893788.db2.gz YXMUQSKGDMUSPX-UHFFFAOYSA-N 0 0 289.404 3.679 50 30 CHEARN CN(C)c1ccc(/C=C/C(=O)c2ccccc2)s1 ZINC000096346802 567895085 /nfs/dbraw/zinc/89/50/85/567895085.db2.gz MRFHFJXOZQDRSS-CSKARUKUSA-N 0 0 257.358 3.710 50 30 CHEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C\c2ccccc2)c1C ZINC000096843701 567900708 /nfs/dbraw/zinc/90/07/08/567900708.db2.gz QDYFTUFZXFSLLQ-KHPPLWFESA-N 0 0 297.354 3.704 50 30 CHEARN CC(C)c1nc(C#N)c(NCCSc2ccccc2)o1 ZINC000072427517 567903808 /nfs/dbraw/zinc/90/38/08/567903808.db2.gz QGTMGVDTYOSVRJ-UHFFFAOYSA-N 0 0 287.388 3.874 50 30 CHEARN N#Cc1ccc(C(F)(F)F)c(NCc2ccncc2)c1 ZINC000097102962 567904225 /nfs/dbraw/zinc/90/42/25/567904225.db2.gz LOJPMIHRNRLBTK-UHFFFAOYSA-N 0 0 277.249 3.584 50 30 CHEARN Cc1cc(-c2ccc(N(C)C)cc2)c(C#N)c(=S)[nH]1 ZINC000000052462 567905997 /nfs/dbraw/zinc/90/59/97/567905997.db2.gz ALFMCVWRNFZMFV-UHFFFAOYSA-N 0 0 269.373 3.657 50 30 CHEARN COc1ccc2c(c1)CCCN2Cc1cc(C#N)ccc1F ZINC000011419825 567908315 /nfs/dbraw/zinc/90/83/15/567908315.db2.gz GYOWJLBCUURWQJ-UHFFFAOYSA-N 0 0 296.345 3.659 50 30 CHEARN N#Cc1ccc(F)c(COC(=O)c2c[nH]c3ccccc32)c1 ZINC000011540360 567909361 /nfs/dbraw/zinc/90/93/61/567909361.db2.gz DCBHXGFXMSMLBZ-UHFFFAOYSA-N 0 0 294.285 3.536 50 30 CHEARN CC(=CC(=O)c1ccc(C)cc1)Nc1cccc(O)c1 ZINC000100246015 567912517 /nfs/dbraw/zinc/91/25/17/567912517.db2.gz OMAXHCGCBMVNNM-JLHYYAGUSA-N 0 0 267.328 3.899 50 30 CHEARN CC(=CC(=O)c1cccnc1)Nc1ccc(C)c(C)c1 ZINC000100246546 567912529 /nfs/dbraw/zinc/91/25/29/567912529.db2.gz QJWAYFQECUMGAR-GXDHUFHOSA-N 0 0 266.344 3.897 50 30 CHEARN CC(C)(C)c1ccc2[nH]c3c(c2c1)CCC/C3=N\O ZINC000100499634 567913338 /nfs/dbraw/zinc/91/33/38/567913338.db2.gz HYEYBQKKVWQICI-NBVRZTHBSA-N 0 0 256.349 3.980 50 30 CHEARN N#Cc1ccc(N(C(=O)c2ccccc2)c2ccccc2)nc1 ZINC000071772022 567914944 /nfs/dbraw/zinc/91/49/44/567914944.db2.gz XZMZVEBQGREVME-UHFFFAOYSA-N 0 0 299.333 3.932 50 30 CHEARN CC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103541126 567915658 /nfs/dbraw/zinc/91/56/58/567915658.db2.gz QSFHSDZDCSCCGQ-UHFFFAOYSA-N 0 0 290.125 3.824 50 30 CHEARN Cc1cc(N=Cc2c(Cl)[nH]c3ccccc23)n[nH]1 ZINC000100151331 567917296 /nfs/dbraw/zinc/91/72/96/567917296.db2.gz WWUWCZSKLPOLLZ-VIZOYTHASA-N 0 0 258.712 3.603 50 30 CHEARN CCCc1ccc(C#N)c(SCC(=O)c2ccccc2)n1 ZINC000000326954 567926880 /nfs/dbraw/zinc/92/68/80/567926880.db2.gz XZXLWVLBAVLGLD-UHFFFAOYSA-N 0 0 296.395 3.881 50 30 CHEARN Nc1ccccc1NC=C1Sc2ccccc2C1=O ZINC000100424642 567927281 /nfs/dbraw/zinc/92/72/81/567927281.db2.gz VPLQNXIUVRWTOV-ZROIWOOFSA-N 0 0 268.341 3.511 50 30 CHEARN CCc1ccc(C(=O)C=CNc2ccc3c(c2)OCO3)cc1 ZINC000100582997 567928109 /nfs/dbraw/zinc/92/81/09/567928109.db2.gz FLNZKXMOEDRFBY-KTKRTIGZSA-N 0 0 295.338 3.786 50 30 CHEARN CCOC1=CC(=O)[C@@H]([C@H](OC)C2([Si](C)(C)C)CC2)CC1 ZINC000169829320 567931376 /nfs/dbraw/zinc/93/13/76/567931376.db2.gz CPEKADFKQMEUQS-ZFWWWQNUSA-N 0 0 296.483 3.773 50 30 CHEARN C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000017908024 567937616 /nfs/dbraw/zinc/93/76/16/567937616.db2.gz ZNRCQKFDHRTPCE-NSHDSACASA-N 0 0 284.746 3.703 50 30 CHEARN C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000017908022 567937618 /nfs/dbraw/zinc/93/76/18/567937618.db2.gz ZNRCQKFDHRTPCE-LLVKDONJSA-N 0 0 284.746 3.703 50 30 CHEARN SCCCCOc1ccccc1Br ZINC000003876732 567938143 /nfs/dbraw/zinc/93/81/43/567938143.db2.gz ZXXPPNUEJCXSGM-UHFFFAOYSA-N 0 0 261.184 3.538 50 30 CHEARN CN(C)/C=C1\C(=O)c2ccccc2O[C@@H]1C1CCCCC1 ZINC000000482539 567939022 /nfs/dbraw/zinc/93/90/22/567939022.db2.gz NRPVCLUVCYXKMQ-NKAIQICCSA-N 0 0 285.387 3.656 50 30 CHEARN COc1cccc(/C=C\C(=O)c2ccc(C)cc2)c1 ZINC000169619098 567939513 /nfs/dbraw/zinc/93/95/13/567939513.db2.gz VZTOKLPSOAOMQW-FLIBITNWSA-N 0 0 252.313 3.900 50 30 CHEARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccccc1C ZINC000018125775 567940253 /nfs/dbraw/zinc/94/02/53/567940253.db2.gz WLUTUAQNWIWUNC-QUYZQLMHSA-N 0 0 291.354 3.736 50 30 CHEARN Cc1ccc(C=C2C(=O)c3ccccc3C2=O)c(C)c1 ZINC000000501001 567940802 /nfs/dbraw/zinc/94/08/02/567940802.db2.gz MFWDQFYHOOHGDQ-UHFFFAOYSA-N 0 0 262.308 3.766 50 30 CHEARN Cc1ccc(NC=C2C(=O)CC(c3ccco3)CC2=O)cc1 ZINC000101201189 567940970 /nfs/dbraw/zinc/94/09/70/567940970.db2.gz NXKUUDURXNPEAE-UHFFFAOYSA-N 0 0 295.338 3.600 50 30 CHEARN Cc1ccc(/N=C/c2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000000523583 567942413 /nfs/dbraw/zinc/94/24/13/567942413.db2.gz AHMXYAHUFDCNFY-YBFXNURJSA-N 0 0 276.339 3.896 50 30 CHEARN Cc1ccc2[nH]c(=O)c(/C=N/c3ccccc3C)cc2c1 ZINC000000525088 567942466 /nfs/dbraw/zinc/94/24/66/567942466.db2.gz WRRTZWLCCOVDSH-YBFXNURJSA-N 0 0 276.339 3.896 50 30 CHEARN Cc1cccc(-c2nc(C#N)c(NCc3ccco3)o2)c1 ZINC000000535948 567942823 /nfs/dbraw/zinc/94/28/23/567942823.db2.gz NERYIUYDDRORHT-UHFFFAOYSA-N 0 0 279.299 3.727 50 30 CHEARN C#CCCCCC(=O)N(C)c1ccccc1SC ZINC000120250214 567943756 /nfs/dbraw/zinc/94/37/56/567943756.db2.gz JNYMPYFMDVTRGX-UHFFFAOYSA-N 0 0 261.390 3.565 50 30 CHEARN N#C[C@@H](SC(=S)N1CCCC1)C1CCCCC1 ZINC000115185851 567947006 /nfs/dbraw/zinc/94/70/06/567947006.db2.gz WKEMLVAJENUBJV-GFCCVEGCSA-N 0 0 268.451 3.573 50 30 CHEARN C=CCNC(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000002980840 567952246 /nfs/dbraw/zinc/95/22/46/567952246.db2.gz ZHTHNCIAYRZCBY-SAPNQHFASA-N 0 0 263.340 3.529 50 30 CHEARN O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000016981022 570226014 /nfs/dbraw/zinc/22/60/14/570226014.db2.gz CZBVVWGIPLTRQL-LREOWRDNSA-N 0 0 286.714 3.965 50 30 CHEARN CC(C)(C#N)c1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1 ZINC000025438960 570230655 /nfs/dbraw/zinc/23/06/55/570230655.db2.gz UUWWQWINYAYVIU-UHFFFAOYSA-N 0 0 287.750 3.722 50 30 CHEARN N#Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000000445359 570232535 /nfs/dbraw/zinc/23/25/35/570232535.db2.gz MSOLMJNUTYCIQM-UHFFFAOYSA-N 0 0 263.275 3.550 50 30 CHEARN Nc1c(Cl)cc(/N=C/c2cccnc2)cc1Cl ZINC000000494862 570283201 /nfs/dbraw/zinc/28/32/01/570283201.db2.gz CHYZOJOBVIFHQX-REZTVBANSA-N 0 0 266.131 3.721 50 30 CHEARN CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000048749737 570299192 /nfs/dbraw/zinc/29/91/92/570299192.db2.gz DMTQWYQHBHDHRK-UHFFFAOYSA-N 0 0 286.718 3.962 50 30 CHEARN N#CC(C#N)[C@H](CC(=O)c1ccc[nH]1)c1ccc(Cl)cc1 ZINC000001028042 570323806 /nfs/dbraw/zinc/32/38/06/570323806.db2.gz QHKQWZBWTMATNB-CQSZACIVSA-N 0 0 297.745 3.688 50 30 CHEARN C#Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000004088098 570337644 /nfs/dbraw/zinc/33/76/44/570337644.db2.gz RWSZFJIDFJZZCH-UHFFFAOYSA-N 0 0 255.704 3.574 50 30 CHEARN C=CCN(Cc1ccco1)C(=O)c1cnc2ccccc2c1 ZINC000065433111 570335863 /nfs/dbraw/zinc/33/58/63/570335863.db2.gz LBWSEPIOEBOPRD-UHFFFAOYSA-N 0 0 292.338 3.656 50 30 CHEARN C=CCNC(=O)[C@H](CC)Oc1ccc(-c2ccccc2)cc1 ZINC000012137758 570339418 /nfs/dbraw/zinc/33/94/18/570339418.db2.gz OOYZSUKVEJSWOC-SFHVURJKSA-N 0 0 295.382 3.813 50 30 CHEARN CN(C)/C=C/C(=O)c1cccc(OCc2ccccc2)c1 ZINC000223387049 570339464 /nfs/dbraw/zinc/33/94/64/570339464.db2.gz RHZNZNQGJUMZDR-VAWYXSNFSA-N 0 0 281.355 3.524 50 30 CHEARN Cc1nc2ccccc2nc1SCCCSCC#N ZINC000075076169 570348230 /nfs/dbraw/zinc/34/82/30/570348230.db2.gz RWDQJFTWCWIZNK-UHFFFAOYSA-N 0 0 289.429 3.677 50 30 CHEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1CCC2=O ZINC000253502176 570355726 /nfs/dbraw/zinc/35/57/26/570355726.db2.gz LUJVUUWNAPIQQI-RTYCURFASA-N 0 0 284.399 3.863 50 30 in-vitro CHEARN CC[C@H](C)Nc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000000091810 570386493 /nfs/dbraw/zinc/38/64/93/570386493.db2.gz LTYRDPMOZHAWTD-LBPRGKRZSA-N 0 0 278.359 3.878 50 30 CHEARN N#Cc1cc(-c2ccccc2)oc1NC(=O)c1ccco1 ZINC000000144046 570386831 /nfs/dbraw/zinc/38/68/31/570386831.db2.gz ODRYGYMGONMMHX-UHFFFAOYSA-N 0 0 278.267 3.664 50 30 CHEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccccc3)sc2C1 ZINC000000298261 570387514 /nfs/dbraw/zinc/38/75/14/570387514.db2.gz WXXGIUQWWHWEHL-NSHDSACASA-N 0 0 296.395 3.997 50 30 CHEARN N#Cc1c(N)nc(C2CC2)cc1-c1cccc2cnccc21 ZINC000067434364 570393737 /nfs/dbraw/zinc/39/37/37/570393737.db2.gz WJGFRRIARZYIEB-UHFFFAOYSA-N 0 0 286.338 3.628 50 30 CHEARN CC(C)c1ccc(C#N)c(-c2ccc3c(c2)OCCO3)n1 ZINC000426428876 570394490 /nfs/dbraw/zinc/39/44/90/570394490.db2.gz IFQFPEFZGDUKEC-UHFFFAOYSA-N 0 0 280.327 3.515 50 30 CHEARN Cc1sc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c(C#N)c1C ZINC000002729697 570397998 /nfs/dbraw/zinc/39/79/98/570397998.db2.gz XIZXIKNKEHSKDO-KBPBESRZSA-N 0 0 296.395 3.979 50 30 CHEARN Cc1ccc(N[C@@H](C)C(=O)Nc2sccc2C#N)c(C)c1 ZINC000028744480 570398237 /nfs/dbraw/zinc/39/82/37/570398237.db2.gz XLYSGLRMZGZWAU-LBPRGKRZSA-N 0 0 299.399 3.676 50 30 CHEARN CCOc1ccc([C@@H]2CCCN2c2ccc(C#N)cn2)cc1 ZINC000012796685 1125495526 /nfs/dbraw/zinc/49/55/26/1125495526.db2.gz CJCHVUQLRHLUDR-KRWDZBQOSA-N 0 0 293.370 3.693 50 30 CHEARN Cc1ccc2c(c1)/C(=N\c1c(C)cccc1C)C(=O)N2 ZINC000013856205 1125513537 /nfs/dbraw/zinc/51/35/37/1125513537.db2.gz WBBBEBGLOQCPFW-UHFFFAOYSA-N 0 0 264.328 3.685 50 30 CHEARN C=CCC1(CC=C)CCCN1c1nc(C)nc2oc(C)nc21 ZINC000065394065 1125678424 /nfs/dbraw/zinc/67/84/24/1125678424.db2.gz KBCHTUTYWDRDJN-UHFFFAOYSA-N 0 0 298.390 3.726 50 30 CHEARN O=C(N=C1CCCCCN1)c1cccc2ccccc21 ZINC000003219853 1125680281 /nfs/dbraw/zinc/68/02/81/1125680281.db2.gz PTCDMCIBEVIMST-UHFFFAOYSA-N 0 0 266.344 3.542 50 30 CHEARN CCCC#C/C=C1/Cn2c3ccccc3nc2S1 ZINC000013119116 1126750501 /nfs/dbraw/zinc/75/05/01/1126750501.db2.gz KQEQIFYCQQRXHB-WQLSENKSSA-N 0 0 254.358 3.829 50 30 CHEARN O=C(/C=C\c1ccccc1)c1c(Cl)nc2ccccn21 ZINC000255216554 1127236918 /nfs/dbraw/zinc/23/69/18/1127236918.db2.gz HIQQEJXOAIMIKY-KTKRTIGZSA-N 0 0 282.730 3.884 50 30 CHEARN C#CCn1c(/C=C\c2ccccc2)nc2ccccc21 ZINC000033477693 1128535564 /nfs/dbraw/zinc/53/55/64/1128535564.db2.gz GNDSNBZGSONHHG-SEYXRHQNSA-N 0 0 258.324 3.840 50 30 CHEARN CCOc1ccc(C(=O)/C=C\c2ccc(O)cc2)cc1 ZINC000033558664 1128547801 /nfs/dbraw/zinc/54/78/01/1128547801.db2.gz CDHWNXIYADIGFA-XGICHPGQSA-N 0 0 268.312 3.687 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(C)o2)cc1OC ZINC000033907096 1128667509 /nfs/dbraw/zinc/66/75/09/1128667509.db2.gz SHJRAEDYHUSHHR-ALCCZGGFSA-N 0 0 272.300 3.501 50 30 CHEARN C=C(Cl)CSc1n[nH]c(C=Cc2cccs2)n1 ZINC000048520989 1128714491 /nfs/dbraw/zinc/71/44/91/1128714491.db2.gz KTDXSCVJJQABPS-PLNGDYQASA-N 0 0 283.809 3.881 50 30 CHEARN Oc1ccc(C=NNc2ccccc2C(F)(F)F)cc1 ZINC000254614706 1118036550 /nfs/dbraw/zinc/03/65/50/1118036550.db2.gz VJUMNGBLNAZQGB-UHFFFAOYSA-N 0 0 280.249 3.857 50 30 CHEARN O=C(/C=C\c1csnn1)c1cccc2ccccc21 ZINC000096307272 1118473003 /nfs/dbraw/zinc/47/30/03/1118473003.db2.gz GHYVSNPRCRBTIQ-HJWRWDBZSA-N 0 0 266.325 3.587 50 30 CHEARN CCCCCCCNC(C)=C1C(=O)CC(C)(C)CC1=O ZINC000102718300 1118948074 /nfs/dbraw/zinc/94/80/74/1118948074.db2.gz QIRUIZVTPBREEF-UHFFFAOYSA-N 0 0 279.424 3.779 50 30 CHEARN N#CCOc1ccc(C(=O)/C=C\c2cc(F)ccc2F)cc1 ZINC000098008623 1120088386 /nfs/dbraw/zinc/08/83/86/1120088386.db2.gz OMFKFFBOWILOKR-BAQGIRSFSA-N 0 0 299.276 3.763 50 30 CHEARN N#Cc1sc2nc(-c3ccccc3F)ccc2c1N ZINC000012375694 1120486818 /nfs/dbraw/zinc/48/68/18/1120486818.db2.gz HRWVZPFXNXVDIG-UHFFFAOYSA-N 0 0 269.304 3.556 50 30 CHEARN CCOc1cc(F)ccc1NC(=O)Nc1cccc(C#N)c1 ZINC000055324507 1120489854 /nfs/dbraw/zinc/48/98/54/1120489854.db2.gz JEBWKKOEPDZQMD-UHFFFAOYSA-N 0 0 299.305 3.740 50 30 CHEARN [N-]=[N+]=Nc1ccc(C(=O)Nc2cccc3[nH]ccc32)cn1 ZINC000108515531 1120752152 /nfs/dbraw/zinc/75/21/52/1120752152.db2.gz KCYZZACVPXMFFO-UHFFFAOYSA-N 0 0 278.275 3.757 50 30 CHEARN C=C(C)C[C@@H](C)C(=O)Nc1ccccc1-c1cc[nH]n1 ZINC000888099573 1121085987 /nfs/dbraw/zinc/08/59/87/1121085987.db2.gz AZPMRHGNDACQGL-GFCCVEGCSA-N 0 0 269.348 3.618 50 30 CHEARN N#Cc1ccc(-c2ccc(Oc3nccnc3C#N)cc2)cc1 ZINC000069351513 1121179347 /nfs/dbraw/zinc/17/93/47/1121179347.db2.gz FIAVQXZNGLSPSL-UHFFFAOYSA-N 0 0 298.305 3.679 50 30 CHEARN C[C@H](c1ccccc1)[C@@H](CS)NC(=O)OC(C)(C)C ZINC000685950275 1121620572 /nfs/dbraw/zinc/62/05/72/1121620572.db2.gz MANAXOOMAFCKST-DGCLKSJQSA-N 0 0 281.421 3.613 50 30 CHEARN C=C1CCC(NC(=O)CCc2ccc(SC)cc2)CC1 ZINC000618255971 1121701455 /nfs/dbraw/zinc/70/14/55/1121701455.db2.gz BIIGHYODBOSJTN-UHFFFAOYSA-N 0 0 289.444 3.956 50 30 CHEARN N#Cc1nccnc1Sc1cccc(C(F)(F)F)c1 ZINC000001383011 1123140699 /nfs/dbraw/zinc/14/06/99/1123140699.db2.gz DEOMAKHMVUZNCY-UHFFFAOYSA-N 0 0 281.262 3.518 50 30 CHEARN C=CCNC(=O)/C(=C\c1ccccc1OC)c1ccccc1 ZINC000032907836 1124037874 /nfs/dbraw/zinc/03/78/74/1124037874.db2.gz JCYKAHFLZZIMAD-VKAVYKQESA-N 0 0 293.366 3.538 50 30 CHEARN C=C(C)C[C@H](C)C(=O)NCc1cccc(-c2cnco2)c1 ZINC000585127283 1131320034 /nfs/dbraw/zinc/32/00/34/1131320034.db2.gz WBIDJUOQXNDFNH-ZDUSSCGKSA-N 0 0 284.359 3.560 50 30 CHEARN CC(C)[C@H]1CC[C@@H](C)/C(=C/c2ccc(N)cc2)C1=O ZINC000032625383 1125182982 /nfs/dbraw/zinc/18/29/82/1125182982.db2.gz GTUBLXPYISHKLW-PIWUGONTSA-N 0 0 257.377 3.923 50 30 CHEARN C[C@H]1C[C@H](C)CN(c2cc(C#N)c(C#N)cc2Cl)C1 ZINC000000482255 1125423207 /nfs/dbraw/zinc/42/32/07/1125423207.db2.gz DMQYENWZWTWSMM-QWRGUYRKSA-N 0 0 273.767 3.566 50 30 CHEARN COc1ccc(/C=C\C(=O)c2cccc(Cl)c2)cc1O ZINC000097993033 1129635970 /nfs/dbraw/zinc/63/59/70/1129635970.db2.gz DHUCXKSXHYJTLK-ALCCZGGFSA-N 0 0 288.730 3.950 50 30 CHEARN C=CCOc1ccc(/C=C\C(=O)c2cccc(O)c2)cc1 ZINC000097993490 1129636352 /nfs/dbraw/zinc/63/63/52/1129636352.db2.gz XOGPFUDPNMJMQT-FLIBITNWSA-N 0 0 280.323 3.853 50 30 CHEARN Cc1ccc(C(=O)/C=C\c2cccc3c2OCO3)cc1 ZINC000098008527 1129638423 /nfs/dbraw/zinc/63/84/23/1129638423.db2.gz XAXTVZGVYCSIGN-KTKRTIGZSA-N 0 0 266.296 3.620 50 30 CHEARN Fc1cc(Br)ccc1N=Cc1ccco1 ZINC000254391479 1129691638 /nfs/dbraw/zinc/69/16/38/1129691638.db2.gz FGKZZNPSYMLCIS-UHFFFAOYSA-N 0 0 268.085 3.932 50 30 CHEARN Oc1ccc(Cl)cc1C=Nc1n[nH]c2ccccc21 ZINC000254706269 1129705933 /nfs/dbraw/zinc/70/59/33/1129705933.db2.gz NVFOEOYLUJJSGV-UHFFFAOYSA-N 0 0 271.707 3.673 50 30 CHEARN FC(F)Oc1ccc(N=C2SC[C@H]3CCCCN23)cc1 ZINC000254737069 1129706882 /nfs/dbraw/zinc/70/68/82/1129706882.db2.gz XFWMSFHUQYHVCQ-LLVKDONJSA-N 0 0 298.358 3.877 50 30 CHEARN COc1ccc(N=Cc2ccccc2Br)cn1 ZINC000254815972 1129711895 /nfs/dbraw/zinc/71/18/95/1129711895.db2.gz IAKCRKWOWVTUQT-UHFFFAOYSA-N 0 0 291.148 3.603 50 30 CHEARN CN(C)c1ccc(/C=C/C(=O)/C=C/c2ccco2)cc1 ZINC000000184994 1129732238 /nfs/dbraw/zinc/73/22/38/1129732238.db2.gz SSUHTESKIHNANY-OFJXCKHESA-N 0 0 267.328 3.641 50 30 CHEARN C=CCCc1ccccc1NC(=O)NC[C@@]1(C)CC1(F)F ZINC000667029043 1130677166 /nfs/dbraw/zinc/67/71/66/1130677166.db2.gz NWUWLQJGTGZNNY-OAHLLOKOSA-N 0 0 294.345 3.972 50 30 CHEARN N#Cc1c(NC(=O)CCc2ccccc2)sc2c1CCC2 ZINC000004078610 230368733 /nfs/dbraw/zinc/36/87/33/230368733.db2.gz VXZXWDNETLNPBU-UHFFFAOYSA-N 0 0 296.395 3.680 50 30 CHEARN O=[N+]([O-])c1ccccc1C=NNc1cccc2cccnc21 ZINC000004750904 230369086 /nfs/dbraw/zinc/36/90/86/230369086.db2.gz SMZINQUKPSMFAS-WOJGMQOQSA-N 0 0 292.298 3.589 50 30 CHEARN N#C[C@H](Sc1nnc2n1CCCCC2)C1CCCCC1 ZINC000115185315 230394276 /nfs/dbraw/zinc/39/42/76/230394276.db2.gz WWQPWZWOQBYVRK-ZDUSSCGKSA-N 0 0 290.436 3.569 50 30 CHEARN N#Cc1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)cc1 ZINC000096766314 185111956 /nfs/dbraw/zinc/11/19/56/185111956.db2.gz ZJPFUDJYNLBRKH-YWEYNIOJSA-N 0 0 269.250 3.733 50 30 CHEARN N#Cc1ccccc1NC(=O)/C=C\c1ccc(Cl)s1 ZINC000096936540 185132864 /nfs/dbraw/zinc/13/28/64/185132864.db2.gz HOURVNZYVXGNGN-VURMDHGXSA-N 0 0 288.759 3.925 50 30 CHEARN CCc1ccc([C@@H](C#N)N(C)C(=O)CC2CCCC2)cc1 ZINC000408516982 529701222 /nfs/dbraw/zinc/70/12/22/529701222.db2.gz GPQVTYUZKZYRJI-QGZVFWFLSA-N 0 0 284.403 3.852 50 30 CHEARN C=CCOc1cccc(C(=O)N2CCCc3ccccc32)c1 ZINC000006701082 136376679 /nfs/dbraw/zinc/37/66/79/136376679.db2.gz HWLISIHDNGNIAT-UHFFFAOYSA-N 0 0 293.366 3.844 50 30 CHEARN CN(C)c1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1 ZINC000016391882 529775073 /nfs/dbraw/zinc/77/50/73/529775073.db2.gz LJOXPLCWRXYALI-ONNFQVAWSA-N 0 0 287.309 3.927 50 30 CHEARN CCOc1ccc(/C=N/c2ccc(N(C)C)cc2)cc1 ZINC000100243408 185709758 /nfs/dbraw/zinc/70/97/58/185709758.db2.gz UUBMWSMDLQOPGC-QGOAFFKASA-N 0 0 268.360 3.902 50 30 CHEARN N#Cc1cccc(N2CC[C@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000240569379 136592047 /nfs/dbraw/zinc/59/20/47/136592047.db2.gz HABYEMXGONVJSR-LBPRGKRZSA-N 0 0 295.308 3.512 50 30 CHEARN Cc1cccc(NN=C(C#N)C(=O)c2ccccc2Cl)c1 ZINC000103743945 185857458 /nfs/dbraw/zinc/85/74/58/185857458.db2.gz VOUZATVXFTWXSJ-HMMYKYKNSA-N 0 0 297.745 3.823 50 30 CHEARN Cc1[nH]c2ccccc2c1/C=N\Cc1cn2ccccc2n1 ZINC000105922204 186091032 /nfs/dbraw/zinc/09/10/32/186091032.db2.gz DVECYSSWBGHYKI-ODLFYWEKSA-N 0 0 288.354 3.743 50 30 CHEARN C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C ZINC000118913164 186788313 /nfs/dbraw/zinc/78/83/13/186788313.db2.gz ICTXHFFSOAJUMG-SLHNCBLASA-N 0 0 298.426 3.637 50 30 world CHEARN CCOc1ccc(-c2cc(C(C)(C)C)nc(N)c2C#N)cc1 ZINC000226761986 189777830 /nfs/dbraw/zinc/77/78/30/189777830.db2.gz OHSOJTDDOLHHGA-UHFFFAOYSA-N 0 0 295.386 3.899 50 30 CHEARN Cc1cc(=O)oc2cc(NC(=O)Cc3ccccc3)ccc12 ZINC000000056717 169520423 /nfs/dbraw/zinc/52/04/23/169520423.db2.gz UQUMDDZAFRUNFQ-UHFFFAOYSA-N 0 0 293.322 3.932 50 30 CHEARN Cc1ccc(C(=O)/C=C/Sc2ccccn2)cc1 ZINC000000068369 169524808 /nfs/dbraw/zinc/52/48/08/169524808.db2.gz NNYAJRJIOXQPNO-PKNBQFBNSA-N 0 0 255.342 3.879 50 30 CHEARN Cc1cccc2c3nnc(N=NC(C)C(C)(C)C)nc3[nH]c21 ZINC000000068511 169524935 /nfs/dbraw/zinc/52/49/35/169524935.db2.gz ZWXIXOYPKQGRRC-VXLYETTFSA-N 0 0 296.378 3.648 50 30 CHEARN O=C1c2ccccc2C(=O)C(Nc2ccccc2)=C1Cl ZINC000000096921 169534828 /nfs/dbraw/zinc/53/48/28/169534828.db2.gz CIWCIDRTACZSAZ-UHFFFAOYSA-N 0 0 283.714 3.628 50 30 CHEARN Fc1ccccc1NC(=S)Nc1ccccc1F ZINC000000110038 169539403 /nfs/dbraw/zinc/53/94/03/169539403.db2.gz ZBMLHTDWAFZBDE-UHFFFAOYSA-N 0 0 264.300 3.994 50 30 CHEARN C=CCc1ccc(Cc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000000126028 169545256 /nfs/dbraw/zinc/54/52/56/169545256.db2.gz DOGVVYRUVBIUQY-UHFFFAOYSA-N 0 0 283.327 3.923 50 30 CHEARN O=C(ON=C1CCCC1)c1ccc(Br)cc1 ZINC000000143151 169552531 /nfs/dbraw/zinc/55/25/31/169552531.db2.gz PARXRZGIFUFMBF-UHFFFAOYSA-N 0 0 282.137 3.536 50 30 CHEARN Cn1c2ccccc2c(C#N)c1COc1ccccc1 ZINC000000187758 169568171 /nfs/dbraw/zinc/56/81/71/169568171.db2.gz UWSZNUCHRZMRHT-UHFFFAOYSA-N 0 0 262.312 3.629 50 30 CHEARN CC(C)c1ccc(N[C@@]2(C#N)c3ccccc3NC2=O)cc1 ZINC000000201701 169572863 /nfs/dbraw/zinc/57/28/63/169572863.db2.gz CDTSNXYJIPLUPC-SFHVURJKSA-N 0 0 291.354 3.593 50 30 CHEARN C=CC[C@@H](c1ccco1)N(C(C)=O)c1ccccc1 ZINC000000209294 169575564 /nfs/dbraw/zinc/57/55/64/169575564.db2.gz NITWPDZQLDFHOR-HNNXBMFYSA-N 0 0 255.317 3.950 50 30 CHEARN COc1ccc(O)c(/C=N/c2ccc(Cl)cc2)c1 ZINC000000437309 169640246 /nfs/dbraw/zinc/64/02/46/169640246.db2.gz PRRYQSJWEUBMGO-CXUHLZMHSA-N 0 0 261.708 3.805 50 30 CHEARN C=CCN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000000441361 169641239 /nfs/dbraw/zinc/64/12/39/169641239.db2.gz JMUBCVRQTQJXDS-UHFFFAOYSA-N 0 0 286.187 3.727 50 30 CHEARN CCc1ccc(/N=C/c2ccc3c(c2)OCO3)cc1 ZINC000000516617 169660536 /nfs/dbraw/zinc/66/05/36/169660536.db2.gz NTGMYPCUKOMXMX-LICLKQGHSA-N 0 0 253.301 3.728 50 30 CHEARN CCCCCCCCNS(=O)(=O)c1ccccc1C ZINC000002061893 260008375 /nfs/dbraw/zinc/00/83/75/260008375.db2.gz HWXQOUCAHYHCIE-UHFFFAOYSA-N 0 0 283.437 3.634 50 30 CHEARN C#CCCCCCCCCC(=O)Nc1nccs1 ZINC000002299267 260009181 /nfs/dbraw/zinc/00/91/81/260009181.db2.gz FMJFQUMHRQBJML-UHFFFAOYSA-N 0 0 264.394 3.836 50 30 CHEARN CCSc1sc(C(=O)c2ccccc2)c(N)c1C#N ZINC000000546918 169666033 /nfs/dbraw/zinc/66/60/33/169666033.db2.gz RRQKNPMWRIIYLI-UHFFFAOYSA-N 0 0 288.397 3.545 50 30 CHEARN NC(=O)c1ccc(/N=C/c2cccc(Cl)c2Cl)cc1 ZINC000000587487 169673301 /nfs/dbraw/zinc/67/33/01/169673301.db2.gz IHKTZKDZPKPCPI-QGMBQPNBSA-N 0 0 293.153 3.843 50 30 CHEARN Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)c(C)o1 ZINC000001055190 169687890 /nfs/dbraw/zinc/68/78/90/169687890.db2.gz PQJYSJSYQODAIF-UHFFFAOYSA-N 0 0 274.345 3.699 50 30 CHEARN N#Cc1ncc(C(F)(F)F)cc1Oc1ccc(F)cc1 ZINC000001391401 169699621 /nfs/dbraw/zinc/69/96/21/169699621.db2.gz KEYZTFPYVLCXAZ-UHFFFAOYSA-N 0 0 282.196 3.903 50 30 CHEARN COc1cccc(NC=CC(=O)c2cccs2)c1 ZINC000001120185 533574841 /nfs/dbraw/zinc/57/48/41/533574841.db2.gz CLLFZZRGTOZKCV-BQYQJAHWSA-N 0 0 259.330 3.565 50 30 CHEARN C=CCCc1ccccc1NC(=O)N1CCCSCC1 ZINC000241401093 131080264 /nfs/dbraw/zinc/08/02/64/131080264.db2.gz NBCZFPVKGLXUQF-UHFFFAOYSA-N 0 0 290.432 3.776 50 30 CHEARN CCCCCCCCOc1cc(N)nc(SC)n1 ZINC000002023506 169768664 /nfs/dbraw/zinc/76/86/64/169768664.db2.gz SZZLNKASTUDSEB-UHFFFAOYSA-N 0 0 269.414 3.520 50 30 CHEARN Cc1ccc(C)c(/N=C/c2ccc3c(c2)OCO3)c1 ZINC000002164432 169778221 /nfs/dbraw/zinc/77/82/21/169778221.db2.gz RRWHACFASYIZDD-RQZCQDPDSA-N 0 0 253.301 3.783 50 30 CHEARN C=CCSc1nc2sc3c(c2c(N)n1)[C@H](C)CCC3 ZINC000002292773 169784628 /nfs/dbraw/zinc/78/46/28/169784628.db2.gz HZJBLAAZTWOPDA-MRVPVSSYSA-N 0 0 291.445 3.991 50 30 CHEARN C=C(C)Cn1c2ccccc2nc1[C@H](C)NC(=O)CCC ZINC000002721388 169822429 /nfs/dbraw/zinc/82/24/29/169822429.db2.gz WYNKJPHTOHPZSH-ZDUSSCGKSA-N 0 0 285.391 3.590 50 30 CHEARN CCOc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1 ZINC000004004080 169928716 /nfs/dbraw/zinc/92/87/16/169928716.db2.gz MGMZNRVHFOSBQU-UHFFFAOYSA-N 0 0 259.349 3.770 50 30 CHEARN N#CCCN(Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000004325146 169957956 /nfs/dbraw/zinc/95/79/56/169957956.db2.gz ZIKNZYCQMAHVNP-UHFFFAOYSA-N 0 0 279.343 3.634 50 30 CHEARN C=C(C)COc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000004387716 169964762 /nfs/dbraw/zinc/96/47/62/169964762.db2.gz GGRJMKZBDFXYTJ-UHFFFAOYSA-N 0 0 290.746 3.890 50 30 CHEARN Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc([N+](=O)[O-])s1 ZINC000004576264 169985665 /nfs/dbraw/zinc/98/56/65/169985665.db2.gz QDXQJNOODASDFA-NTUHNPAUSA-N 0 0 291.288 3.624 50 30 CHEARN O=[N+]([O-])c1ccccc1N=NCc1ccc(Cl)cc1 ZINC000004588554 169987997 /nfs/dbraw/zinc/98/79/97/169987997.db2.gz BMHBDZCNPJTGAH-OQLLNIDSSA-N 0 0 275.695 3.694 50 30 CHEARN CCSC1=N/C(=C\c2sccc2C)C(=O)S1 ZINC000004755152 170011824 /nfs/dbraw/zinc/01/18/24/170011824.db2.gz XGFSYEIPHKQRBB-VURMDHGXSA-N 0 0 269.416 3.780 50 30 CHEARN CCOc1ccccc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004772957 170014785 /nfs/dbraw/zinc/01/47/85/170014785.db2.gz LKXKHDLNJYFBPH-FMIVXFBMSA-N 0 0 297.310 3.890 50 30 CHEARN Cc1nc2ccccc2nc1N=NCc1ccccc1F ZINC000004791071 170017513 /nfs/dbraw/zinc/01/75/13/170017513.db2.gz MHHYZXNYFDZBSD-VCHYOVAHSA-N 0 0 280.306 3.523 50 30 CHEARN COc1ccc(OC)c(NC(C)=CC(=O)c2ccccc2)c1 ZINC000004819142 170022638 /nfs/dbraw/zinc/02/26/38/170022638.db2.gz IAFLIBWLCSDEPP-ACCUITESSA-N 0 0 297.354 3.902 50 30 CHEARN O=C(/C=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000004829478 170025300 /nfs/dbraw/zinc/02/53/00/170025300.db2.gz UXJLOSSHOIAQMT-ZZXKWVIFSA-N 0 0 277.663 3.737 50 30 CHEARN C=CCOc1cccc(C(=O)Nc2cc(C)ccc2OC)c1 ZINC000004842755 170028939 /nfs/dbraw/zinc/02/89/39/170028939.db2.gz JCMJGEBLRJEYEC-UHFFFAOYSA-N 0 0 297.354 3.821 50 30 CHEARN COc1ccc(NC=CC(=O)c2ccc(F)cc2)cc1 ZINC000004905318 170038979 /nfs/dbraw/zinc/03/89/79/170038979.db2.gz DTUVIEABFAECQW-KHPPLWFESA-N 0 0 271.291 3.643 50 30 CHEARN COc1cc(/C=N/N(C)c2ccccc2)cc(Cl)c1O ZINC000004989763 170049979 /nfs/dbraw/zinc/04/99/79/170049979.db2.gz CXTHNYNLOKLZLJ-LICLKQGHSA-N 0 0 290.750 3.525 50 30 CHEARN O=C(/C=C/c1cccc(Br)c1)c1cccnc1 ZINC000005128259 170068777 /nfs/dbraw/zinc/06/87/77/170068777.db2.gz GXBQTTZJGBMRNZ-VOTSOKGWSA-N 0 0 288.144 3.740 50 30 CHEARN CCOc1ccc(NC2=C(Cl)C(=O)C[C@@H](C)C2)cc1 ZINC000005196995 170075447 /nfs/dbraw/zinc/07/54/47/170075447.db2.gz HGNFTFDTZORBBW-JTQLQIEISA-N 0 0 279.767 3.947 50 30 CHEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccco1 ZINC000005206553 170076230 /nfs/dbraw/zinc/07/62/30/170076230.db2.gz SSWGBWNICNVLGN-FRKPEAEDSA-N 0 0 299.208 3.653 50 30 CHEARN CCN(CC)c1ccc(C=[NH+][N-]c2ccccc2)cc1 ZINC000005321810 170085664 /nfs/dbraw/zinc/08/56/64/170085664.db2.gz JXUJNOLMXZGGRG-NBVRZTHBSA-N 0 0 267.376 3.979 50 30 CHEARN CS/C(=N\c1ccccc1)N/N=C/c1ccccc1 ZINC000005353614 170088967 /nfs/dbraw/zinc/08/89/67/170088967.db2.gz XNDGCGQHPKWRSQ-FOWTUZBSSA-N 0 0 269.373 3.661 50 30 CHEARN N#Cc1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000005456507 170101010 /nfs/dbraw/zinc/10/10/10/170101010.db2.gz XMAPRMAAMGLTCQ-UHFFFAOYSA-N 0 0 262.268 3.557 50 30 CHEARN C=CCc1cc(C=O)cc(OC)c1OCc1ccccc1 ZINC000005661120 170125142 /nfs/dbraw/zinc/12/51/42/170125142.db2.gz OAJGEBTXXDSWHF-UHFFFAOYSA-N 0 0 282.339 3.815 50 30 CHEARN C=CCn1c(=S)[nH]nc1-c1cc2ccccc2cc1O ZINC000005685798 170128841 /nfs/dbraw/zinc/12/88/41/170128841.db2.gz HIPWOSXSDRYMFG-UHFFFAOYSA-N 0 0 283.356 3.652 50 30 CHEARN Cc1c(/C=C/c2nc3ccccc3s2)cc(C#N)n1C ZINC000005830586 170144863 /nfs/dbraw/zinc/14/48/63/170144863.db2.gz MMQSANLSNRZYDU-BQYQJAHWSA-N 0 0 279.368 3.985 50 30 CHEARN N#C[C@@H]1c2ccccc2C=CN1C(=O)c1c(F)cccc1F ZINC000005903741 170152638 /nfs/dbraw/zinc/15/26/38/170152638.db2.gz DHUONXBRYQVQFB-OAHLLOKOSA-N 0 0 296.276 3.656 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1O ZINC000005918165 170155655 /nfs/dbraw/zinc/15/56/55/170155655.db2.gz IATZESCYNFYSEI-KRXBUXKQSA-N 0 0 288.730 3.950 50 30 CHEARN CC[C@H](c1ccc(O)cc1)[C@H](C#N)c1ccc(O)cc1 ZINC000005925939 170156599 /nfs/dbraw/zinc/15/65/99/170156599.db2.gz MUSZSITXXJNLPD-IAGOWNOFSA-N 0 0 267.328 3.899 50 30 CHEARN CCSC(=N)N/N=C/c1ccc(Cl)cc1Cl ZINC000005960441 170162884 /nfs/dbraw/zinc/16/28/84/170162884.db2.gz AWLNPGYPXIVXSY-MKMNVTDBSA-N 0 0 276.192 3.605 50 30 CHEARN N#Cc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000006287491 170188496 /nfs/dbraw/zinc/18/84/96/170188496.db2.gz GPKWBRCQEZEBBE-RMKNXTFCSA-N 0 0 282.730 3.864 50 30 CHEARN CSc1ccc(CN(C)C(=O)c2ccc(C#N)cc2)cc1 ZINC000006309804 170190235 /nfs/dbraw/zinc/19/02/35/170190235.db2.gz RHWVDGMFLKJBOG-UHFFFAOYSA-N 0 0 296.395 3.552 50 30 CHEARN Cc1ccc(CNC(=S)NC2CCCCC2)cc1 ZINC000006334416 170193199 /nfs/dbraw/zinc/19/31/99/170193199.db2.gz HYAVOECSBHXBNB-UHFFFAOYSA-N 0 0 262.422 3.703 50 30 CHEARN COc1ccc(NC(C)=CC(=O)c2ccccc2)cc1 ZINC000006492602 170206533 /nfs/dbraw/zinc/20/65/33/170206533.db2.gz JZDRYXIGFBRECW-OUKQBFOZSA-N 0 0 267.328 3.894 50 30 CHEARN CN(CCC#N)c1ccc([C@H]2Nc3ccccc3O2)cc1 ZINC000006544613 170212026 /nfs/dbraw/zinc/21/20/26/170212026.db2.gz PRMDKUVMVHTXGC-KRWDZBQOSA-N 0 0 279.343 3.540 50 30 CHEARN N#Cc1ccc2ccn(Cc3ccc(F)cc3)c2c1 ZINC000006615271 170219474 /nfs/dbraw/zinc/21/94/74/170219474.db2.gz PBRRDHUIAHSPHT-UHFFFAOYSA-N 0 0 250.276 3.700 50 30 CHEARN Cc1cc(C)c(C(=O)Nc2ccccc2C#N)c(C)c1 ZINC000006699915 170228590 /nfs/dbraw/zinc/22/85/90/170228590.db2.gz IADRXMJKJCGCPK-UHFFFAOYSA-N 0 0 264.328 3.736 50 30 CHEARN C=CCN(CC=C)C(=O)Nc1cccc(Cl)c1C ZINC000006699620 170228687 /nfs/dbraw/zinc/22/86/87/170228687.db2.gz SSWRNEGVPURHJE-UHFFFAOYSA-N 0 0 264.756 3.854 50 30 CHEARN CCSc1ccccc1C(=O)Nc1cccc(C#N)c1 ZINC000006702463 170229658 /nfs/dbraw/zinc/22/96/58/170229658.db2.gz ZKCZFPBPPZAOEQ-UHFFFAOYSA-N 0 0 282.368 3.923 50 30 CHEARN C=CCSc1ccccc1C(=O)Nc1ccncc1 ZINC000006715906 170231856 /nfs/dbraw/zinc/23/18/56/170231856.db2.gz XSAOIYSBRBIRFV-UHFFFAOYSA-N 0 0 270.357 3.612 50 30 CHEARN Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccccc1C#N ZINC000006742753 170238247 /nfs/dbraw/zinc/23/82/47/170238247.db2.gz SNXACZPMAWMHLB-CQSZACIVSA-N 0 0 294.354 3.581 50 30 CHEARN C=CCSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000006745279 170238973 /nfs/dbraw/zinc/23/89/73/170238973.db2.gz JVBNGULRHTULTF-UHFFFAOYSA-N 0 0 283.356 3.805 50 30 CHEARN C#CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1 ZINC000006747365 170239841 /nfs/dbraw/zinc/23/98/41/170239841.db2.gz QPKFFQGKJXBRGD-UHFFFAOYSA-N 0 0 279.339 3.513 50 30 CHEARN N#Cc1cccc(OCC(=O)c2ccc3ccccc3c2)c1 ZINC000007191864 170270579 /nfs/dbraw/zinc/27/05/79/170270579.db2.gz BKTFWBLPUYQOHE-UHFFFAOYSA-N 0 0 287.318 3.973 50 30 CHEARN COc1cc(C#N)ccc1O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007858340 170305762 /nfs/dbraw/zinc/30/57/62/170305762.db2.gz MUSQSTPKVHJHLX-LLVKDONJSA-N 0 0 298.298 3.615 50 30 CHEARN C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(F)cc1 ZINC000008050829 170316386 /nfs/dbraw/zinc/31/63/86/170316386.db2.gz XJPNYVOCWODNNX-JTQLQIEISA-N 0 0 285.278 3.779 50 30 CHEARN N#CCc1ccc(NC(=O)c2ccc3ccccc3n2)cc1 ZINC000008125596 170320212 /nfs/dbraw/zinc/32/02/12/170320212.db2.gz WWVGPTSXVNTLKL-UHFFFAOYSA-N 0 0 287.322 3.553 50 30 CHEARN N#Cc1cccc(Nc2ncnc3c4ccccc4oc32)c1 ZINC000008193308 170323538 /nfs/dbraw/zinc/32/35/38/170323538.db2.gz ROSAVQVQQTZLAK-UHFFFAOYSA-N 0 0 286.294 3.991 50 30 CHEARN N#Cc1nc(/C=C/c2ccc(F)cc2)oc1N1CCCCC1 ZINC000008612947 170343115 /nfs/dbraw/zinc/34/31/15/170343115.db2.gz JUNXWBRPUPOZHW-RMKNXTFCSA-N 0 0 297.333 3.846 50 30 CHEARN COc1ccccc1NC(=S)NC1CCCCC1 ZINC000008683556 170345419 /nfs/dbraw/zinc/34/54/19/170345419.db2.gz YZZREAKHQZVIPX-UHFFFAOYSA-N 0 0 264.394 3.726 50 30 CHEARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1cccc(C#N)c1)C2 ZINC000008708201 170348078 /nfs/dbraw/zinc/34/80/78/170348078.db2.gz DZNHMIMAZXSXRV-INIZCTEOSA-N 0 0 294.379 3.522 50 30 CHEARN CC(=O)Nc1ccc(Sc2nc(C)cc(C)c2C#N)cc1 ZINC000008708032 170348315 /nfs/dbraw/zinc/34/83/15/170348315.db2.gz WEVRPNAISPINEQ-UHFFFAOYSA-N 0 0 297.383 3.680 50 30 CHEARN C=C(C)COc1ccccc1C(=O)NCCc1ccccc1 ZINC000009877418 170388172 /nfs/dbraw/zinc/38/81/72/170388172.db2.gz XQFZJOKXEDZMEA-UHFFFAOYSA-N 0 0 295.382 3.614 50 30 CHEARN C[C@@H](C#N)Sc1nc(C2CC2)nc2ccccc21 ZINC000010942391 170413387 /nfs/dbraw/zinc/41/33/87/170413387.db2.gz PMQYHMRFGSFYAW-VIFPVBQESA-N 0 0 255.346 3.511 50 30 CHEARN Cn1cc(/C(Cc2ccccc2)=N\O)c2ccccc21 ZINC000012428166 170487987 /nfs/dbraw/zinc/48/79/87/170487987.db2.gz NBBRBCNWJLUMIY-VLGSPTGOSA-N 0 0 264.328 3.599 50 30 CHEARN NC(=O)c1c(/N=C/c2cccs2)sc2c1CCCC2 ZINC000013110440 170531603 /nfs/dbraw/zinc/53/16/03/170531603.db2.gz VBXIGYKYWIVTLO-LZYBPNLTSA-N 0 0 290.413 3.538 50 30 CHEARN Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000013327432 170544937 /nfs/dbraw/zinc/54/49/37/170544937.db2.gz OTGGAVABRHOOPD-UHFFFAOYSA-N 0 0 288.397 3.731 50 30 CHEARN C=CCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S ZINC000013476518 170554572 /nfs/dbraw/zinc/55/45/72/170554572.db2.gz HQAPTMXZAAHKIO-DHZHZOJOSA-N 0 0 295.816 3.727 50 30 CHEARN CCCNC(=S)Nc1ccc(Br)cc1 ZINC000013482575 170554978 /nfs/dbraw/zinc/55/49/78/170554978.db2.gz COAZFKKBVSGNML-UHFFFAOYSA-N 0 0 273.199 3.557 50 30 CHEARN CC(=O)/C(=C\c1ccc(F)cc1)C(=O)c1ccc(C)cc1 ZINC000014017514 170616283 /nfs/dbraw/zinc/61/62/83/170616283.db2.gz LZCXHZYUAZHHTN-GZTJUZNOSA-N 0 0 282.314 3.989 50 30 CHEARN Cc1ccc(SCC(=O)Nc2sccc2C#N)cc1 ZINC000015186930 170658785 /nfs/dbraw/zinc/65/87/85/170658785.db2.gz MKKDSOHIVNRZGH-UHFFFAOYSA-N 0 0 288.397 3.659 50 30 CHEARN C=CCOc1ccccc1CNc1ccccc1OC ZINC000016663284 170708105 /nfs/dbraw/zinc/70/81/05/170708105.db2.gz HHBKFAWSMLXNDI-UHFFFAOYSA-N 0 0 269.344 3.872 50 30 CHEARN O=C1N/C(=N\c2ccccc2)S/C1=C\C=C\c1ccco1 ZINC000017248005 170731012 /nfs/dbraw/zinc/73/10/12/170731012.db2.gz CYBHHBKAWPDSQN-NDUUIVGLSA-N 0 0 296.351 3.727 50 30 CHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)OC1CCCCC1 ZINC000019676883 170837395 /nfs/dbraw/zinc/83/73/95/170837395.db2.gz WHNPAXNKOWOGDE-UHFFFAOYSA-N 0 0 298.342 3.740 50 30 CHEARN N#Cc1c(N)nc(-c2cccs2)cc1-c1cccs1 ZINC000019815853 170880736 /nfs/dbraw/zinc/88/07/36/170880736.db2.gz NMMNXFUCSNOZLW-UHFFFAOYSA-N 0 0 283.381 3.992 50 30 in-vivo CHEARN C=CCNc1nc(SC)nc(-c2ccc(C)cc2)c1C#N ZINC000019820739 170882165 /nfs/dbraw/zinc/88/21/65/170882165.db2.gz QJZVBOSEUYUCCB-UHFFFAOYSA-N 0 0 296.399 3.644 50 30 CHEARN N#Cc1ccccc1CNc1ccc(F)cc1Cl ZINC000020361105 171159730 /nfs/dbraw/zinc/15/97/30/171159730.db2.gz KXPBGSBKBHLYDG-UHFFFAOYSA-N 0 0 260.699 3.963 50 30 CHEARN Cc1ccc(NC(=O)Nc2ccccc2C#N)cc1C ZINC000020514469 171231771 /nfs/dbraw/zinc/23/17/71/171231771.db2.gz ICVWVVVCYHJRJI-UHFFFAOYSA-N 0 0 265.316 3.819 50 30 CHEARN Cc1noc2c1[C@@H](C(C)C)C1=C(CC(C)(C)CC1=O)N2 ZINC000020734686 171271346 /nfs/dbraw/zinc/27/13/46/171271346.db2.gz QIDISZJKVDWIIT-GFCCVEGCSA-N 0 0 274.364 3.791 50 30 CHEARN CCCCCNc1nc(C)c2c(c1C#N)CC(C)(C)OC2 ZINC000020842182 171275532 /nfs/dbraw/zinc/27/55/32/171275532.db2.gz GFBAKYSXTYQCBS-UHFFFAOYSA-N 0 0 287.407 3.715 50 30 CHEARN Cc1noc2c1[C@@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2 ZINC000021660269 171318703 /nfs/dbraw/zinc/31/87/03/171318703.db2.gz HDDFYHDHPONHNK-MRXNPFEDSA-N 0 0 294.354 3.856 50 30 CHEARN C/C(=N\O)c1ccc(OCc2ccccc2C)cc1 ZINC000021806482 171327950 /nfs/dbraw/zinc/32/79/50/171327950.db2.gz UFLNGABMNAKKLT-GHRIWEEISA-N 0 0 255.317 3.772 50 30 CHEARN CC(C)C(=O)/C(=C\c1ccccc1)C(=O)Nc1ccccc1 ZINC000022065751 171351905 /nfs/dbraw/zinc/35/19/05/171351905.db2.gz SMUFHBOCNIUNPT-GHRIWEEISA-N 0 0 293.366 3.934 50 30 CHEARN CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 ZINC000025437952 171457729 /nfs/dbraw/zinc/45/77/29/171457729.db2.gz HLIPPGUOTSCCTN-CYBMUJFWSA-N 0 0 268.360 3.783 50 30 CHEARN CN(Cc1ccc(C(F)(F)F)cc1)c1cc(C#N)ccn1 ZINC000032895066 171758224 /nfs/dbraw/zinc/75/82/24/171758224.db2.gz NVMUCIGWEXVBDC-UHFFFAOYSA-N 0 0 291.276 3.608 50 30 CHEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)c1cccnc1 ZINC000033281909 171776530 /nfs/dbraw/zinc/77/65/30/171776530.db2.gz IKLHALRILQBKSP-GZTJUZNOSA-N 0 0 278.355 3.576 50 30 CHEARN C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(C#N)cc1 ZINC000036394728 172632367 /nfs/dbraw/zinc/63/23/67/172632367.db2.gz ACHXEKRYAUUYTA-LBPRGKRZSA-N 0 0 298.773 3.573 50 30 CHEARN N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccsc2)cc1 ZINC000036395739 172632696 /nfs/dbraw/zinc/63/26/96/172632696.db2.gz ZPPBIPYUGJCEQA-HNNXBMFYSA-N 0 0 282.368 3.597 50 30 CHEARN N#Cc1cc(N)ncc1-c1ccc(Cl)cc1Cl ZINC000039140257 174164419 /nfs/dbraw/zinc/16/44/19/174164419.db2.gz WDAWPDNMJLTXTM-UHFFFAOYSA-N 0 0 264.115 3.509 50 30 CHEARN CSc1ccc(C(=O)/C=C/c2c(C)n[nH]c2C)cc1 ZINC000040549505 174326658 /nfs/dbraw/zinc/32/66/58/174326658.db2.gz BKEXAOLZOAGPLM-CMDGGOBGSA-N 0 0 272.373 3.645 50 30 CHEARN Cc1cc(C(F)(F)F)c2c(C#N)cn(C(C)(C)C)c2n1 ZINC000040566630 174337986 /nfs/dbraw/zinc/33/79/86/174337986.db2.gz BXHYVUDCYOCCLN-UHFFFAOYSA-N 0 0 281.281 3.990 50 30 CHEARN N#Cc1ccc(CSc2nccc(C(F)(F)F)n2)cc1 ZINC000041895865 174625075 /nfs/dbraw/zinc/62/50/75/174625075.db2.gz TYIMPKUSZUMTJZ-UHFFFAOYSA-N 0 0 295.289 3.659 50 30 CHEARN CC(C)(C)OC(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC000044137626 175145857 /nfs/dbraw/zinc/14/58/57/175145857.db2.gz CHENFYPIKKZGGZ-UHFFFAOYSA-N 0 0 286.375 3.673 50 30 CHEARN N#CC1(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000044225586 175154618 /nfs/dbraw/zinc/15/46/18/175154618.db2.gz RUXDTZJFLMTPFZ-UHFFFAOYSA-N 0 0 278.311 3.721 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]1c1ccsc1 ZINC000048231261 175422071 /nfs/dbraw/zinc/42/20/71/175422071.db2.gz DVXRFEMHTMSHKQ-AWEZNQCLSA-N 0 0 299.355 3.869 50 30 CHEARN C[C@H](Nc1ncnc2cccc(F)c21)c1ccc(C#N)cc1 ZINC000054058408 175553117 /nfs/dbraw/zinc/55/31/17/175553117.db2.gz RERNFTUNOMCXCY-NSHDSACASA-N 0 0 292.317 3.814 50 30 CHEARN N#Cc1ccc(NCc2cscn2)cc1C(F)(F)F ZINC000066738234 175764125 /nfs/dbraw/zinc/76/41/25/175764125.db2.gz PKRKHCHNVODSRQ-UHFFFAOYSA-N 0 0 283.278 3.646 50 30 CHEARN CCCCCCCCNC(=O)c1ccc(NC(C)=O)cc1 ZINC000002493704 260009519 /nfs/dbraw/zinc/00/95/19/260009519.db2.gz PGHXPVMAGJHDAY-UHFFFAOYSA-N 0 0 290.407 3.735 50 30 CHEARN CCn1c2ccccc2nc1/N=C/c1cccs1 ZINC000004663658 260015821 /nfs/dbraw/zinc/01/58/21/260015821.db2.gz MCQWWBAAICKSLI-XNTDXEJSSA-N 0 0 255.346 3.868 50 30 CHEARN O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1 ZINC000013378210 260070163 /nfs/dbraw/zinc/07/01/63/260070163.db2.gz GIKJADRKBZHVCY-DUXPYHPUSA-N 0 0 296.366 3.789 50 30 biogenic,in-vitro CHEARN N#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000024231696 260127128 /nfs/dbraw/zinc/12/71/28/260127128.db2.gz JPXIORIYKBSQLA-USXIJHARSA-N 0 0 282.387 3.647 50 30 CHEARN N#Cc1cccc(OCc2coc(-c3cccc(F)c3)n2)c1 ZINC000032801567 260145720 /nfs/dbraw/zinc/14/57/20/260145720.db2.gz AUJORCXFPKSOON-UHFFFAOYSA-N 0 0 294.285 3.931 50 30 CHEARN CC(C)(C#N)CC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000330701461 264017707 /nfs/dbraw/zinc/01/77/07/264017707.db2.gz HRCISPJVAYLZPQ-IAGOWNOFSA-N 0 0 298.430 3.844 50 30 CHEARN CN(Cc1ccoc1)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000331244542 264178704 /nfs/dbraw/zinc/17/87/04/264178704.db2.gz LKRDMEHCNFLGQN-UHFFFAOYSA-N 0 0 293.392 3.711 50 30 CHEARN CCOC(=O)c1ccccc1NCc1ccccc1CC#N ZINC000001781005 336122823 /nfs/dbraw/zinc/12/28/23/336122823.db2.gz ZZLOEMIURKPEGG-UHFFFAOYSA-N 0 0 294.354 3.541 50 30 CHEARN Cc1nc2c(c(-c3cccs3)c1C#N)N1CCC2CC1 ZINC000004049917 336163755 /nfs/dbraw/zinc/16/37/55/336163755.db2.gz NKYUTGGJNGTIPE-UHFFFAOYSA-N 0 0 281.384 3.688 50 30 CHEARN C=CCNC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000001779878 517332101 /nfs/dbraw/zinc/33/21/01/517332101.db2.gz LGFWSWGCQFBKDM-JLHYYAGUSA-N 0 0 293.366 3.581 50 30 CHEARN N#C[C@@H]1CCCN(C(=O)c2ccc(-c3cccs3)cc2)C1 ZINC000426438940 518196343 /nfs/dbraw/zinc/19/63/43/518196343.db2.gz UHNDXKBWSRAHML-ZDUSSCGKSA-N 0 0 296.395 3.791 50 30 CHEARN CCCCCCCn1c2ccccc2nc1NCCCO ZINC000008425526 520071828 /nfs/dbraw/zinc/07/18/28/520071828.db2.gz PFAGFKORRRGQRG-UHFFFAOYSA-N 0 0 289.423 3.801 50 30 CHEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccn1 ZINC000032678743 526336421 /nfs/dbraw/zinc/33/64/21/526336421.db2.gz RRLZIVOKCZBTQF-UHFFFAOYSA-N 0 0 292.791 3.625 50 30 CHEARN N#Cc1c(N=Cc2nc3ccccc3[nH]2)sc2c1CCC2 ZINC000252679386 526527465 /nfs/dbraw/zinc/52/74/65/526527465.db2.gz LQDFQZOMXGHNRK-UHFFFAOYSA-N 0 0 292.367 3.735 50 30 CHEARN C=CCOc1ccccc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000009815534 526952883 /nfs/dbraw/zinc/95/28/83/526952883.db2.gz PCLDZGMMVYBZHQ-AWEZNQCLSA-N 0 0 297.354 3.657 50 30 CHEARN C=CCc1ccccc1OCCn1cnc2ccccc21 ZINC000004413292 527261431 /nfs/dbraw/zinc/26/14/31/527261431.db2.gz PWXCQYDPIYABHY-UHFFFAOYSA-N 0 0 278.355 3.844 50 30 CHEARN C#Cc1cccc(NCc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000032754371 527459712 /nfs/dbraw/zinc/45/97/12/527459712.db2.gz YEHYNTPZAINQGS-UHFFFAOYSA-N 0 0 297.226 3.976 50 30 CHEARN CCCCCCCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000097960057 528133942 /nfs/dbraw/zinc/13/39/42/528133942.db2.gz YZPLATJBFPWMES-UHFFFAOYSA-N 0 0 295.408 3.852 50 30 CHEARN CCOc1cc(/C=C\C(=O)c2ccc(O)cc2)ccc1OC ZINC000096766234 528200186 /nfs/dbraw/zinc/20/01/86/528200186.db2.gz UGHJVFDKGIBIRI-WMZJFQQLSA-N 0 0 298.338 3.696 50 30 CHEARN Oc1ccccc1C=Nc1ccc(Br)cc1 ZINC000245240976 566828061 /nfs/dbraw/zinc/82/80/61/566828061.db2.gz VWAMOQWOPYDCQR-UHFFFAOYSA-N 0 0 276.133 3.905 50 30 CHEARN N#Cc1c(=S)[nH]c2c(c1[C@@H]1CC=CCC1)CCC2 ZINC000004548891 567869362 /nfs/dbraw/zinc/86/93/62/567869362.db2.gz XOMFUEHMSLCFSH-SNVBAGLBSA-N 0 0 256.374 3.928 50 30 CHEARN O=Cc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F ZINC000034405860 567887695 /nfs/dbraw/zinc/88/76/95/567887695.db2.gz LHTKGSQFEZEHPT-UHFFFAOYSA-N 0 0 282.114 3.626 50 30 CHEARN Cc1cccc(NC(=O)[C@@H](C#N)CCc2ccccc2)c1 ZINC000241774184 566826150 /nfs/dbraw/zinc/82/61/50/566826150.db2.gz RNTKHCUXKUQGHL-MRXNPFEDSA-N 0 0 278.355 3.706 50 30 CHEARN C(=N/[C@H](/N=C\c1ccco1)c1ccco1)\c1ccco1 ZINC000245325196 566828145 /nfs/dbraw/zinc/82/81/45/566828145.db2.gz CYGDSXFTXXFMNI-JCTGUFFASA-N 0 0 268.272 3.702 50 30 CHEARN CCCCN(C)c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000015109776 566835932 /nfs/dbraw/zinc/83/59/32/566835932.db2.gz QMZFQUGAFQTEDU-UHFFFAOYSA-N 0 0 296.418 3.720 50 30 CHEARN CC(=NNc1ccc(F)cc1F)c1ccc2c(c1)OCO2 ZINC000003909004 566845024 /nfs/dbraw/zinc/84/50/24/566845024.db2.gz JXDUEYZUJPISSC-NVMNQCDNSA-N 0 0 290.269 3.530 50 30 CHEARN C=CCOc1ccc2c(C)cc(=O)oc2c1CCC ZINC000071772702 566865858 /nfs/dbraw/zinc/86/58/58/566865858.db2.gz OYSWKHPQFQZBKO-UHFFFAOYSA-N 0 0 258.317 3.619 50 30 CHEARN C=CCN(Cc1cccc(OC)c1)C(=O)C[C@H]1C=CCC1 ZINC000055383581 566868294 /nfs/dbraw/zinc/86/82/94/566868294.db2.gz HYPCKOMSRGMBPK-HNNXBMFYSA-N 0 0 285.387 3.566 50 30 CHEARN C=C(Br)CCc1ccccc1C(=O)OCC ZINC000002245349 566901350 /nfs/dbraw/zinc/90/13/50/566901350.db2.gz MQHIMEYBUQMFKQ-UHFFFAOYSA-N 0 0 283.165 3.705 50 30 CHEARN CNC(=O)Oc1ccc(/C=N/c2cccc(Cl)c2)cc1 ZINC000018038394 566915590 /nfs/dbraw/zinc/91/55/90/566915590.db2.gz ZBNRKPLXOBSZEW-VCHYOVAHSA-N 0 0 288.734 3.809 50 30 CHEARN CCCC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000022879306 566931189 /nfs/dbraw/zinc/93/11/89/566931189.db2.gz MGFGVKGPNFWNOJ-UHFFFAOYSA-N 0 0 269.369 3.887 50 30 CHEARN C[C@@]1(CCc2ccccc2)CCN(c2ncccc2C#N)C1 ZINC000075106849 566934810 /nfs/dbraw/zinc/93/48/10/566934810.db2.gz RUZMFKYNCHVKAA-LJQANCHMSA-N 0 0 291.398 3.802 50 30 CHEARN N#C[C@@H]1CCC[C@@H]1Nc1ncnc2sc3c(c21)CCCC3 ZINC000075092955 566935905 /nfs/dbraw/zinc/93/59/05/566935905.db2.gz REEDQTQYKAXEKZ-JQWIXIFHSA-N 0 0 298.415 3.674 50 30 CHEARN Cc1c(C#N)c(N)ccc1-c1cccc2c1CC(C)(C)O2 ZINC000075274199 566940630 /nfs/dbraw/zinc/94/06/30/566940630.db2.gz LQACBJDSNORSJV-UHFFFAOYSA-N 0 0 278.355 3.829 50 30 CHEARN C=CCc1c(C)nc(C)nc1N=NC=CCc1ccccc1 ZINC000001661663 566943773 /nfs/dbraw/zinc/94/37/73/566943773.db2.gz NQKHCTAIYDIWJU-FWBOJEOFSA-N 0 0 292.386 3.933 50 30 CHEARN CCC[C@@H]1/C(=N\O)C[C@H](c2ccco2)N[C@H]1c1ccco1 ZINC000137587909 566964216 /nfs/dbraw/zinc/96/42/16/566964216.db2.gz JMOPJIQNJJMZHQ-XRUBQZRRSA-N 0 0 288.347 3.895 50 30 CHEARN CC(=NNc1ccncc1)c1ccc(Br)cc1 ZINC000245245212 566969285 /nfs/dbraw/zinc/96/92/85/566969285.db2.gz CBEWYGXWDLTPTR-UHFFFAOYSA-N 0 0 290.164 3.680 50 30 CHEARN CN(C)C(=O)c1ccc(-c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000426443434 566988325 /nfs/dbraw/zinc/98/83/25/566988325.db2.gz RYFBHONTTVYUOC-UHFFFAOYSA-N 0 0 292.382 3.857 50 30 CHEARN C=CCCC(C)(C)OC(=O)c1cncc(OC(C)C)c1 ZINC000170598119 567012352 /nfs/dbraw/zinc/01/23/52/567012352.db2.gz IVTGLELEGLOEJY-UHFFFAOYSA-N 0 0 277.364 3.770 50 30 CHEARN Cc1ccsc1C=NNC(=S)Nc1cccc(C)c1 ZINC000252462388 567052306 /nfs/dbraw/zinc/05/23/06/567052306.db2.gz RXWBIPWLSLXZNC-UHFFFAOYSA-N 0 0 289.429 3.685 50 30 CHEARN Oc1ccccc1/C=N/c1nc2ccccc2s1 ZINC000000272527 567054556 /nfs/dbraw/zinc/05/45/56/567054556.db2.gz QHXJLHSKVDZVOA-OQLLNIDSSA-N 0 0 254.314 3.753 50 30 CHEARN Cc1ccc2ncnc(NCc3cc(C#N)ccc3F)c2c1 ZINC000170643006 567055631 /nfs/dbraw/zinc/05/56/31/567055631.db2.gz VYMBLNSILFBWRD-UHFFFAOYSA-N 0 0 292.317 3.561 50 30 CHEARN CCc1noc(C)c1NC(=O)N(C)[C@H](C)C1CCCCC1 ZINC000330430148 567063046 /nfs/dbraw/zinc/06/30/46/567063046.db2.gz IFEODPGJQXBKMG-LLVKDONJSA-N 0 0 293.411 3.992 50 30 CHEARN C=CCC[C@H](C)Nc1cccc(-c2nnc(C)o2)c1 ZINC000195561792 567069763 /nfs/dbraw/zinc/06/97/63/567069763.db2.gz XTSZJDSVGFGWAF-NSHDSACASA-N 0 0 257.337 3.812 50 30 CHEARN CN(C)c1ccc(C=[NH+][N-]c2cccc3cccnc32)cc1 ZINC000252630248 567069996 /nfs/dbraw/zinc/06/99/96/567069996.db2.gz UXVIRGRVDIAGKQ-UHFFFAOYSA-N 0 0 290.370 3.747 50 30 CHEARN CCC(C)N=Nc1nc(-c2ccc(F)cc2)cs1 ZINC000252630044 567070177 /nfs/dbraw/zinc/07/01/77/567070177.db2.gz UTFYZBFVOGADLT-UHFFFAOYSA-N 0 0 263.341 3.569 50 30 CHEARN Cc1cccc(-c2nc(C#N)c(N3CCCCCC3)o2)c1 ZINC000000468149 567103722 /nfs/dbraw/zinc/10/37/22/567103722.db2.gz DLKJQXJBMKJNDO-UHFFFAOYSA-N 0 0 281.359 3.902 50 30 CHEARN N#Cc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000000431589 567104103 /nfs/dbraw/zinc/10/41/03/567104103.db2.gz XZXHCQXTYFAJQQ-UHFFFAOYSA-N 0 0 257.296 3.682 50 30 CHEARN CC(=O)Nc1ccc(Cl)c(NCc2ccccc2C#N)c1 ZINC000078920796 567112690 /nfs/dbraw/zinc/11/26/90/567112690.db2.gz LMPIBECTNBXBKA-UHFFFAOYSA-N 0 0 299.761 3.782 50 30 CHEARN O=C(/C=C/c1ccc(F)cc1F)c1ccc(O)cc1 ZINC000013002752 567115549 /nfs/dbraw/zinc/11/55/49/567115549.db2.gz HZMPCLHZHFXPFR-XBXARRHUSA-N 0 0 260.239 3.567 50 30 CHEARN C=CC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000328598718 567119108 /nfs/dbraw/zinc/11/91/08/567119108.db2.gz NXKLVWWVOHDWTG-GFCCVEGCSA-N 0 0 295.342 3.921 50 30 CHEARN Cc1ccc(Cc2ccccn2)cc1NC(=O)[C@H]1CCOC1 ZINC000330032931 567125072 /nfs/dbraw/zinc/12/50/72/567125072.db2.gz VDCHHSQXSGSSSN-HNNXBMFYSA-N 0 0 296.370 3.605 50 30 CHEARN O=C(CC1CC1)Nc1csc(-c2ccncc2)n1 ZINC000330032348 567125393 /nfs/dbraw/zinc/12/53/93/567125393.db2.gz MEWLTGTVFJWDRF-UHFFFAOYSA-N 0 0 259.334 3.593 50 30 CHEARN Cc1ccc(C)c(CCC(=O)c2ccc(C#N)cc2)c1 ZINC000002517532 567128771 /nfs/dbraw/zinc/12/87/71/567128771.db2.gz NMZSPIWWJPQPFH-UHFFFAOYSA-N 0 0 263.340 3.991 50 30 CHEARN CC(=O)c1c(F)cc(F)cc1OCCCC(C)(C)C#N ZINC000095427694 567131641 /nfs/dbraw/zinc/13/16/41/567131641.db2.gz GZCQBDJUPUUTJI-UHFFFAOYSA-N 0 0 281.302 3.876 50 30 CHEARN CC(C)(C)Nc1cccc(Br)c1C#N ZINC000095495720 567136215 /nfs/dbraw/zinc/13/62/15/567136215.db2.gz GRPLPXAHLFBGOD-UHFFFAOYSA-N 0 0 253.143 3.531 50 30 CHEARN N#Cc1c2c(sc1N=Cc1cc(O)ccc1O)CCCC2 ZINC000254520867 567141827 /nfs/dbraw/zinc/14/18/27/567141827.db2.gz PBFLETRCIBZYRP-UHFFFAOYSA-N 0 0 298.367 3.660 50 30 CHEARN N#Cc1ccccc1C(=O)c1ccc(Br)cc1 ZINC000002567541 567149322 /nfs/dbraw/zinc/14/93/22/567149322.db2.gz FKICEKCIBHVQER-UHFFFAOYSA-N 0 0 286.128 3.552 50 30 CHEARN Cc1ccc(N=NC(C)Cc2nc3ccccc3[nH]2)cc1 ZINC000028294527 567150474 /nfs/dbraw/zinc/15/04/74/567150474.db2.gz BZCVWYXJVNSOBP-MOSHPQCFSA-N 0 0 278.359 3.902 50 30 CHEARN Cc1cccc(N[C@H](C)C(=O)Nc2sccc2C#N)c1C ZINC000028758460 567152990 /nfs/dbraw/zinc/15/29/90/567152990.db2.gz DHHRUIYMTDSBFC-GFCCVEGCSA-N 0 0 299.399 3.676 50 30 CHEARN Cc1cc(C)cc(C(=O)OCc2cc(C#N)ccc2F)c1 ZINC000029867684 567158610 /nfs/dbraw/zinc/15/86/10/567158610.db2.gz VAMOXGREAMCWOD-UHFFFAOYSA-N 0 0 283.302 3.671 50 30 CHEARN N#CCSc1ccccc1C(=O)NC1CCCCCC1 ZINC000030057577 567160633 /nfs/dbraw/zinc/16/06/33/567160633.db2.gz WERGQQIXKMKXJP-UHFFFAOYSA-N 0 0 288.416 3.755 50 30 CHEARN N#Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000003321855 567168927 /nfs/dbraw/zinc/16/89/27/567168927.db2.gz OZFVDJOUFYJUTG-UHFFFAOYSA-N 0 0 290.244 3.829 50 30 CHEARN FC(F)(F)c1ccc(N=NCc2ccccc2)nc1 ZINC000004117234 567186975 /nfs/dbraw/zinc/18/69/75/567186975.db2.gz KCBAUSWIOQFUER-QGMBQPNBSA-N 0 0 265.238 3.546 50 30 CHEARN N#CCC(=O)c1ccccc1Oc1ccc(F)cc1 ZINC000004105460 567187179 /nfs/dbraw/zinc/18/71/79/567187179.db2.gz VCTUEJJUKLWVFC-UHFFFAOYSA-N 0 0 255.248 3.714 50 30 CHEARN COc1ccc(/C=N/Cc2ccccc2Cl)cc1OC ZINC000004180489 567189369 /nfs/dbraw/zinc/18/93/69/567189369.db2.gz WDPQNOGEIQOQKF-VCHYOVAHSA-N 0 0 289.762 3.976 50 30 CHEARN CC(C)(C)c1nnc(SCc2ccccc2C#N)o1 ZINC000042570648 567206251 /nfs/dbraw/zinc/20/62/51/567206251.db2.gz ZVPIXRGOCSPQBZ-UHFFFAOYSA-N 0 0 273.361 3.531 50 30 CHEARN O=C(/C=C/c1ccc(N2CCCC2)cc1)c1ccncc1 ZINC000019879535 567211056 /nfs/dbraw/zinc/21/10/56/567211056.db2.gz IHDFOSJDZSVJHB-VMPITWQZSA-N 0 0 278.355 3.578 50 30 CHEARN Oc1cccc(/C=N/c2ccc(OC(F)(F)F)cc2)c1O ZINC000000046457 567816942 /nfs/dbraw/zinc/81/69/42/567816942.db2.gz XATPCXJHEVTHQO-QGMBQPNBSA-N 0 0 297.232 3.747 50 30 CHEARN CSC1=NC2(CC13C=CC(=O)C=C3)CCCCC2 ZINC000000087385 567817809 /nfs/dbraw/zinc/81/78/09/567817809.db2.gz XPCUYQDXKBDDMJ-UHFFFAOYSA-N 0 0 261.390 3.536 50 30 CHEARN CC1(C)CC(=O)C=C(Nc2ccc(F)cc2F)C1 ZINC000000127964 567819034 /nfs/dbraw/zinc/81/90/34/567819034.db2.gz XHITZSIFDPYHCU-UHFFFAOYSA-N 0 0 251.276 3.650 50 30 CHEARN N#Cc1c(NC(=O)/C=C/c2ccco2)sc2c1CCCC2 ZINC000000126117 567819066 /nfs/dbraw/zinc/81/90/66/567819066.db2.gz SDFIOFKDADNBDN-BQYQJAHWSA-N 0 0 298.367 3.743 50 30 CHEARN Cc1ccc(C(=O)/C=C/Sc2nc(C)cc(C)n2)cc1 ZINC000000133854 567819779 /nfs/dbraw/zinc/81/97/79/567819779.db2.gz HFIPOGNXIWFSIN-CMDGGOBGSA-N 0 0 284.384 3.891 50 30 CHEARN N#CCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000160978 567820721 /nfs/dbraw/zinc/82/07/21/567820721.db2.gz CIYQEFRYVJBRQJ-UHFFFAOYSA-N 0 0 259.312 3.605 50 30 CHEARN Cc1cccc(/C=N/c2cc([N+](=O)[O-])ccc2C)c1 ZINC000000297430 567824381 /nfs/dbraw/zinc/82/43/81/567824381.db2.gz QRLLECDVIJQLJW-MHWRWJLKSA-N 0 0 254.289 3.962 50 30 CHEARN CO[C@@]1(C)C(C)(C)[C@@H](c2ccc(Cl)cc2)C1(C#N)C#N ZINC000000340746 567826038 /nfs/dbraw/zinc/82/60/38/567826038.db2.gz FNOZGXLMDPALNO-HIFRSBDPSA-N 0 0 288.778 3.902 50 30 CHEARN O=C1c2ccccc2C(=O)C1=CNc1ccc2c(c1)CCC2 ZINC000000435216 567829927 /nfs/dbraw/zinc/82/99/27/567829927.db2.gz JFRCCNVTQQINOI-UHFFFAOYSA-N 0 0 289.334 3.550 50 30 CHEARN Cc1ccc([C@]2(CC#N)CCO[C@H](C(C)C)C2)cc1 ZINC000000477147 567832198 /nfs/dbraw/zinc/83/21/98/567832198.db2.gz ZVDWJYFFCODMKL-DLBZAZTESA-N 0 0 257.377 3.982 50 30 CHEARN N#C[C@H](c1ccccn1)c1ncc(C(F)(F)F)cc1Cl ZINC000001385461 567836690 /nfs/dbraw/zinc/83/66/90/567836690.db2.gz NHLFYQDLTPJOFM-SECBINFHSA-N 0 0 297.667 3.804 50 30 CHEARN N#CCCCCC(=O)c1ccccc1Br ZINC000002392774 567845872 /nfs/dbraw/zinc/84/58/72/567845872.db2.gz WNKOYLWJIKUNRJ-UHFFFAOYSA-N 0 0 266.138 3.716 50 30 CHEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1O ZINC000002633836 567848681 /nfs/dbraw/zinc/84/86/81/567848681.db2.gz WZABPKWZZLRQDA-GXDHUFHOSA-N 0 0 280.323 3.613 50 30 CHEARN CCN(Cc1ccccc1)c1ccc(/C=N/O)cc1 ZINC000003278509 567851893 /nfs/dbraw/zinc/85/18/93/567851893.db2.gz KEIIVQNUZAOBHX-SFQUDFHCSA-N 0 0 254.333 3.521 50 30 CHEARN O=C(Cc1ccccc1)O/N=C1\CCCc2ccccc21 ZINC000004014735 567854670 /nfs/dbraw/zinc/85/46/70/567854670.db2.gz JAJWWJPSUJORDV-HTXNQAPBSA-N 0 0 279.339 3.513 50 30 CHEARN O=C(C=CNc1ccccc1OC(F)(F)F)C(F)(F)F ZINC000004052124 567854997 /nfs/dbraw/zinc/85/49/97/567854997.db2.gz QBSIIZGXKKBGRB-AATRIKPKSA-N 0 0 299.170 3.642 50 30 CHEARN O=C1c2ccccc2CSC[C@@]12O[C@@H]2c1cccs1 ZINC000004085361 567855118 /nfs/dbraw/zinc/85/51/18/567855118.db2.gz KPNUVJYTDMMWSA-HUUCEWRRSA-N 0 0 288.393 3.688 50 30 CHEARN O=C(/C=C/c1ccc2nccnc2c1)c1ccccc1 ZINC000004280301 567856502 /nfs/dbraw/zinc/85/65/02/567856502.db2.gz MLZGULNJUUZRRX-VQHVLOKHSA-N 0 0 260.296 3.526 50 30 CHEARN N#CCCCN=Nc1ccc(OCc2ccccc2)cc1 ZINC000004350389 567856929 /nfs/dbraw/zinc/85/69/29/567856929.db2.gz YKCFPWZBONEVBP-CPNJWEJPSA-N 0 0 279.343 3.967 50 30 CHEARN O=C(/C=C/c1ccc(Br)o1)c1cccs1 ZINC000004538917 567858151 /nfs/dbraw/zinc/85/81/51/567858151.db2.gz HRBOFFXDVIPAFK-HWKANZROSA-N 0 0 283.146 4.000 50 30 CHEARN C=C1SC(Nc2ccccc2Cl)=NC1(C)C ZINC000004693100 567859226 /nfs/dbraw/zinc/85/92/26/567859226.db2.gz ZSGOSNMXAFPQOR-UHFFFAOYSA-N 0 0 252.770 3.956 50 30 CHEARN Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)c(C)c1 ZINC000015028927 567861474 /nfs/dbraw/zinc/86/14/74/567861474.db2.gz ZWYJJXKBMPKTES-UHFFFAOYSA-N 0 0 264.328 3.622 50 30 CHEARN COc1ccc(C2=NO[C@](C)([C@H]3CC=C(C)C(=O)C3)C2)cc1 ZINC000012416791 567863095 /nfs/dbraw/zinc/86/30/95/567863095.db2.gz NVVAGVNIVYUIOB-KSSFIOAISA-N 0 0 299.370 3.504 50 30 CHEARN C=CCCC(=O)N1CCS[C@H](c2ccccc2C)CC1 ZINC000219269175 567863538 /nfs/dbraw/zinc/86/35/38/567863538.db2.gz VYOGFFBGBWRZSG-INIZCTEOSA-N 0 0 289.444 3.968 50 30 CHEARN Cn1c(/C=N/c2ccc(Cl)cc2)nc2ccccc21 ZINC000013614611 567866786 /nfs/dbraw/zinc/86/67/86/567866786.db2.gz OETWTOVYXQVGDQ-LICLKQGHSA-N 0 0 269.735 3.977 50 30 CHEARN C=CCn1c(C)cs/c1=N\N=C\c1ccccc1Cl ZINC000016768101 567873784 /nfs/dbraw/zinc/87/37/84/567873784.db2.gz XCZRUEIIWXZZBJ-WIWSFIFXSA-N 0 0 291.807 3.632 50 30 CHEARN N#Cc1cc(F)c(NCCc2ccc(F)cc2)c(F)c1 ZINC000060196954 567877656 /nfs/dbraw/zinc/87/76/56/567877656.db2.gz KYMNEMFQYOWQOA-UHFFFAOYSA-N 0 0 276.261 3.630 50 30 CHEARN C=CC(C)(C)[C@@H]1Nc2ccccc2[C@@H]1CCCCO ZINC000012381797 567881131 /nfs/dbraw/zinc/88/11/31/567881131.db2.gz CFWDENGKAQIHGO-GOEBONIOSA-N 0 0 259.393 3.939 50 30 CHEARN C[C@@H](Cc1ccccc1)N1CCC(=O)C2=C1CCCC2 ZINC000000208834 567887569 /nfs/dbraw/zinc/88/75/69/567887569.db2.gz CQQFYRXUVKSYBX-AWEZNQCLSA-N 0 0 269.388 3.721 50 30 CHEARN O=C1C(=CNc2ccc3c(c2)OCO3)CCc2ccccc21 ZINC000000240692 567887586 /nfs/dbraw/zinc/88/75/86/567887586.db2.gz YTAIJWSDTLMCTL-RAXLEYEMSA-N 0 0 293.322 3.540 50 30 CHEARN N#CC1CCN(C(=O)c2cccc(-c3ccccc3)c2)CC1 ZINC000041118326 567890752 /nfs/dbraw/zinc/89/07/52/567890752.db2.gz IPGNLVPSUVBPFO-UHFFFAOYSA-N 0 0 290.366 3.729 50 30 CHEARN COc1cc(C(=O)/C=C\c2cccnc2)ccc1SC ZINC000096314665 567894297 /nfs/dbraw/zinc/89/42/97/567894297.db2.gz OHBQJQBTSGHRNA-ALCCZGGFSA-N 0 0 285.368 3.708 50 30 CHEARN CC(=O)C(Cl)=NNc1ccc(Cl)cc1Cl ZINC000100316259 567912907 /nfs/dbraw/zinc/91/29/07/567912907.db2.gz SOTSGIPEYHCULQ-NTEUORMPSA-N 0 0 265.527 3.547 50 30 CHEARN CC(NCc1ccccc1)=C1Sc2ccccc2C1=O ZINC000100095441 567914803 /nfs/dbraw/zinc/91/48/03/567914803.db2.gz NCNJXMAAPYTCAZ-ATVHPVEESA-N 0 0 281.380 3.996 50 30 CHEARN CC(C)/C=N/c1ccccc1C(=O)Nc1nccs1 ZINC000101379049 567914844 /nfs/dbraw/zinc/91/48/44/567914844.db2.gz NSXUVUNDVARNSH-CXUHLZMHSA-N 0 0 273.361 3.754 50 30 CHEARN COc1ccc2c(c1)CC/C2=N\OC(=O)c1ccccc1C ZINC000000208811 567924947 /nfs/dbraw/zinc/92/49/47/567924947.db2.gz PUIANGFXJAMSMY-HTXNQAPBSA-N 0 0 295.338 3.511 50 30 CHEARN N#Cc1ccc(Oc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000000233155 567925317 /nfs/dbraw/zinc/92/53/17/567925317.db2.gz IELPBVPVEHVXNY-UHFFFAOYSA-N 0 0 291.266 3.807 50 30 CHEARN CCOc1ccc(/C=C2\Cc3ccccc3C2=O)cc1 ZINC000000247053 567925329 /nfs/dbraw/zinc/92/53/29/567925329.db2.gz ZSHFPJLKENMPIN-RVDMUPIBSA-N 0 0 264.324 3.908 50 30 CHEARN O=C1c2ccccc2SC1=CNc1ccccc1[N+](=O)[O-] ZINC000100557162 567927895 /nfs/dbraw/zinc/92/78/95/567927895.db2.gz KJRUYPQYQIVVDF-NTEUORMPSA-N 0 0 298.323 3.837 50 30 CHEARN CC(=NOC(=O)/C=C\c1ccccc1)c1ccc(F)cc1 ZINC000252633881 567930078 /nfs/dbraw/zinc/93/00/78/567930078.db2.gz WIAUVMXWAVZQCD-ZZTMIRKXSA-N 0 0 283.302 3.806 50 30 CHEARN O=C(/C=C/C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000003168008 567932160 /nfs/dbraw/zinc/93/21/60/567932160.db2.gz DFDBGMHKVAGJAI-ZHACJKMWSA-N 0 0 270.715 3.962 50 30 CHEARN O=C1CCCC2=C1[C@@H](c1ccco1)Nc1ccccc1N2 ZINC000000106556 567935348 /nfs/dbraw/zinc/93/53/48/567935348.db2.gz PUVIFCAWBISIJN-QGZVFWFLSA-N 0 0 280.327 3.865 50 30 CHEARN C=CCCC(=O)N1CCCC[C@H](c2ccc(OC)cc2)C1 ZINC000206883166 567938693 /nfs/dbraw/zinc/93/86/93/567938693.db2.gz KRYIPIWDHWTYCE-INIZCTEOSA-N 0 0 287.403 3.758 50 30 CHEARN CCCOP(=O)(CN(CCC)CCC#N)OCCC ZINC000097929747 567939215 /nfs/dbraw/zinc/93/92/15/567939215.db2.gz YVNCIODDXPYAEO-UHFFFAOYSA-N 0 0 290.344 3.616 50 30 CHEARN C#CC1(NC(=O)Nc2cccc(Cl)c2)CCCCC1 ZINC000004108924 567940144 /nfs/dbraw/zinc/94/01/44/567940144.db2.gz FYSZHTLQAAFJFW-UHFFFAOYSA-N 0 0 276.767 3.798 50 30 CHEARN Cc1cc(-c2ccccc2)nc2sc(C#N)c(N)c21 ZINC000000500557 567940441 /nfs/dbraw/zinc/94/04/41/567940441.db2.gz QQDRICLCDLNVEJ-UHFFFAOYSA-N 0 0 265.341 3.726 50 30 CHEARN COc1ccc(/C=N/c2ccc3c(c2)nc(C)n3C)cc1 ZINC000018212462 567940517 /nfs/dbraw/zinc/94/05/17/567940517.db2.gz UUPGGGHVAXUNKF-WOJGMQOQSA-N 0 0 279.343 3.641 50 30 CHEARN CC1=NOC(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000101416020 567941100 /nfs/dbraw/zinc/94/11/00/567941100.db2.gz YMYQRETYZXMZST-GZTJUZNOSA-N 0 0 293.322 3.582 50 30 CHEARN CCCCCC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl ZINC000102983989 567942416 /nfs/dbraw/zinc/94/24/16/567942416.db2.gz WQQGUDIFXACZID-LLVKDONJSA-N 0 0 292.766 3.568 50 30 CHEARN CCC(=O)[C@@H](C#N)[C@H](c1ccco1)c1ccccc1OC ZINC000000546235 567943096 /nfs/dbraw/zinc/94/30/96/567943096.db2.gz YCRNBNOENAWLRS-CXAGYDPISA-N 0 0 283.327 3.539 50 30 CHEARN N#Cc1ccc(NCc2ccc(C(F)(F)F)cc2)nc1 ZINC000024528694 567943122 /nfs/dbraw/zinc/94/31/22/567943122.db2.gz MHYIMLXYQSLHIK-UHFFFAOYSA-N 0 0 277.249 3.584 50 30 CHEARN COc1ccc(/N=C\c2ccccc2O)cc1Cl ZINC000000576384 567943791 /nfs/dbraw/zinc/94/37/91/567943791.db2.gz XEEGVWCBNUYBFT-SXGWCWSVSA-N 0 0 261.708 3.805 50 30 CHEARN CCc1ccccc1NC=CC(=O)c1ccc2c(c1)OCO2 ZINC000044842358 567945952 /nfs/dbraw/zinc/94/59/52/567945952.db2.gz JDQYNZBIIWFMNL-MDZDMXLPSA-N 0 0 295.338 3.786 50 30 CHEARN COc1c(Cl)cc(Cl)cc1CN1CCC[C@@H](C#N)C1 ZINC000216426297 567947595 /nfs/dbraw/zinc/94/75/95/567947595.db2.gz RDWXLPUOOGWHPC-JTQLQIEISA-N 0 0 299.201 3.738 50 30 CHEARN C=CCOc1ccc(/C=C/Br)cc1OC ZINC000221513454 567948665 /nfs/dbraw/zinc/94/86/65/567948665.db2.gz NXOKJSIMLDNUKS-VOTSOKGWSA-N 0 0 269.138 3.626 50 30 CHEARN COc1ccc(C(=O)C=CNc2ccccc2C)cc1OC ZINC000102965169 570285812 /nfs/dbraw/zinc/28/58/12/570285812.db2.gz PIAHVMAIMIVTPB-KHPPLWFESA-N 0 0 297.354 3.821 50 30 CHEARN CC(C)(C)CC(C)(C)NC(=O)c1ccc(C#N)cc1 ZINC000048150149 570296185 /nfs/dbraw/zinc/29/61/85/570296185.db2.gz MGZQNPJFHHDXOK-UHFFFAOYSA-N 0 0 258.365 3.503 50 30 CHEARN C#CCSc1nnc(-c2ccccc2)c2sc(C)nc21 ZINC000012232767 570300590 /nfs/dbraw/zinc/30/05/90/570300590.db2.gz TWVFSFUPAOANIJ-UHFFFAOYSA-N 0 0 297.408 3.787 50 30 CHEARN CC(C)c1ccc(C(=O)Nc2ccccc2C#N)cc1 ZINC000000309688 570302384 /nfs/dbraw/zinc/30/23/84/570302384.db2.gz ONQDLZZTDXYBDH-UHFFFAOYSA-N 0 0 264.328 3.934 50 30 CHEARN C=C(C)Cn1c2ccccc2nc1[C@@H](C)NC(=O)CCC ZINC000002721389 570302940 /nfs/dbraw/zinc/30/29/40/570302940.db2.gz WYNKJPHTOHPZSH-CYBMUJFWSA-N 0 0 285.391 3.590 50 30 CHEARN COC(=O)C(C)N=Nc1c(Cl)cc(Cl)cc1Cl ZINC000012362608 570311013 /nfs/dbraw/zinc/31/10/13/570311013.db2.gz ZSUPHRWAORTQEP-LHHJGKSTSA-N 0 0 295.553 3.608 50 30 CHEARN N#Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@@H](c1ccccc1)N2 ZINC000222361053 570322646 /nfs/dbraw/zinc/32/26/46/570322646.db2.gz OJBHROLRSPCVNR-BMGDILEWSA-N 0 0 276.339 3.803 50 30 CHEARN N#Cc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1 ZINC000012746477 570334221 /nfs/dbraw/zinc/33/42/21/570334221.db2.gz ZOFOHXZNJWSJGX-UHFFFAOYSA-N 0 0 294.329 3.502 50 30 CHEARN C#C[C@]1(C)CC[C@@H]2[C@H](O1)c1ccccc1OC2(C)C ZINC000003881661 570337727 /nfs/dbraw/zinc/33/77/27/570337727.db2.gz XJYIHLZPVJZAOI-FRFSOERESA-N 0 0 256.345 3.717 50 30 biogenic CHEARN C=CCOc1cccc(NC(=O)c2ccccc2OCC)c1 ZINC000012137929 570339449 /nfs/dbraw/zinc/33/94/49/570339449.db2.gz AXUJGQJWVZHWCT-UHFFFAOYSA-N 0 0 297.354 3.902 50 30 CHEARN Cc1cc(C)cc(C=C2C(=O)c3ccccc3C2=O)c1 ZINC000000208881 570341873 /nfs/dbraw/zinc/34/18/73/570341873.db2.gz CTVRUAMGCSIBKN-UHFFFAOYSA-N 0 0 262.308 3.766 50 30 CHEARN C#CC[C@@H](NC(=O)c1sccc1C)c1ccccc1 ZINC000089701992 570368121 /nfs/dbraw/zinc/36/81/21/570368121.db2.gz KWEWEGTXZNDYPE-CQSZACIVSA-N 0 0 269.369 3.551 50 30 CHEARN Cc1cccc(NN=C(C#N)C(=O)c2ccccc2Cl)c1 ZINC000252632038 570376442 /nfs/dbraw/zinc/37/64/42/570376442.db2.gz VOUZATVXFTWXSJ-UHFFFAOYSA-N 0 0 297.745 3.823 50 30 CHEARN Cc1ccccc1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000000244030 570387460 /nfs/dbraw/zinc/38/74/60/570387460.db2.gz DQRYOEAUOHMSQC-UHFFFAOYSA-N 0 0 282.368 3.669 50 30 CHEARN Cc1cc(C)nc(SCc2ccc(C#N)cc2Cl)n1 ZINC000000340195 570387992 /nfs/dbraw/zinc/38/79/92/570387992.db2.gz QQUZXWLWSORERU-UHFFFAOYSA-N 0 0 289.791 3.911 50 30 CHEARN N#Cc1cccc(C(=O)N2CCCSc3ccccc32)c1 ZINC000012921200 570390224 /nfs/dbraw/zinc/39/02/24/570390224.db2.gz FHEBELQMMHUAST-UHFFFAOYSA-N 0 0 294.379 3.701 50 30 CHEARN Cc1[nH]n(C2CCCC2)c2nc(-c3ccc(C#N)cc3)nc1-2 ZINC000065507495 570393294 /nfs/dbraw/zinc/39/32/94/570393294.db2.gz LSZQKPPVFQANMQ-UHFFFAOYSA-N 0 0 291.358 3.722 50 30 CHEARN Cc1cc(C)n(-c2cc(C)ccc2-c2ccc(C#N)nc2)n1 ZINC000067819143 570394082 /nfs/dbraw/zinc/39/40/82/570394082.db2.gz GVCALUADJXWWPN-UHFFFAOYSA-N 0 0 288.354 3.731 50 30 CHEARN CN(C)c1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000012598794 570395131 /nfs/dbraw/zinc/39/51/31/570395131.db2.gz GUTSWDYMYNLJEK-LFYBBSHMSA-N 0 0 296.326 3.557 50 30 CHEARN Cc1occc1SCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000131433547 570396924 /nfs/dbraw/zinc/39/69/24/570396924.db2.gz RCPOGUZSKICKIZ-UHFFFAOYSA-N 0 0 297.339 3.802 50 30 CHEARN COc1cccc(SCc2ccc(C#N)cc2)c1OC ZINC000030952885 570399724 /nfs/dbraw/zinc/39/97/24/570399724.db2.gz KYRSHPBTBIWCJI-UHFFFAOYSA-N 0 0 285.368 3.868 50 30 CHEARN CC(C)(C)CC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000041555291 570404105 /nfs/dbraw/zinc/40/41/05/570404105.db2.gz VHJXXGUYJOXZLO-JTQLQIEISA-N 0 0 284.281 3.713 50 30 CHEARN C=CCOc1nc(C(C)C)c2c(c1C#N)CCCC2 ZINC000013692441 1125507665 /nfs/dbraw/zinc/50/76/65/1125507665.db2.gz YYQUEEFQARWIIT-UHFFFAOYSA-N 0 0 256.349 3.520 50 30 CHEARN CCc1ccc(/C=C2\COc3ccccc3C2=O)cc1 ZINC000003280514 1125680985 /nfs/dbraw/zinc/68/09/85/1125680985.db2.gz MLGBWUFXOWXUNS-RVDMUPIBSA-N 0 0 264.324 3.908 50 30 CHEARN Fc1ccc(C=NNC2=Nc3cccc4cccc2c34)cc1 ZINC000012729220 1127917200 /nfs/dbraw/zinc/91/72/00/1127917200.db2.gz JWPZSFIEQDPLJW-UHFFFAOYSA-N 0 0 289.313 3.994 50 30 CHEARN N#Cc1ccccc1NC(=O)/C=C/c1ccc(Cl)s1 ZINC000012789172 1127925083 /nfs/dbraw/zinc/92/50/83/1127925083.db2.gz HOURVNZYVXGNGN-SOFGYWHQSA-N 0 0 288.759 3.925 50 30 CHEARN COc1cccc(/C=C\C(=O)c2ccc(OC)c(OC)c2)c1 ZINC000033395682 1128520013 /nfs/dbraw/zinc/52/00/13/1128520013.db2.gz BRUPFIAANJWNTN-CLFYSBASSA-N 0 0 298.338 3.609 50 30 CHEARN N#Cc1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cc1 ZINC000033688930 1128590384 /nfs/dbraw/zinc/59/03/84/1128590384.db2.gz WJJRUOYCUWUNDZ-AUWJEWJLSA-N 0 0 280.714 3.704 50 30 CHEARN N#CCCCCSc1cncc(Br)c1 ZINC000757216182 1118118888 /nfs/dbraw/zinc/11/88/88/1118118888.db2.gz YHDHFEFRLLRZFA-UHFFFAOYSA-N 0 0 271.183 3.630 50 30 CHEARN CN(CC#N)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000060294507 1118294050 /nfs/dbraw/zinc/29/40/50/1118294050.db2.gz UOQGPBVNCFPJJJ-INIZCTEOSA-N 0 0 296.395 3.502 50 30 CHEARN C=CCCCOc1ccccc1I ZINC000070592617 1118347779 /nfs/dbraw/zinc/34/77/79/1118347779.db2.gz IGHVHICIUUQRJG-UHFFFAOYSA-N 0 0 288.128 3.636 50 30 CHEARN N#Cc1ccc(CN(CCF)Cc2cccc(F)c2)cc1 ZINC000078971087 1118503796 /nfs/dbraw/zinc/50/37/96/1118503796.db2.gz GZWJUXZWOALEMM-UHFFFAOYSA-N 0 0 286.325 3.669 50 30 CHEARN O=[N+]([O-])c1ccc(/C=N/c2cccc(Cl)c2)cc1 ZINC000000143291 1119625271 /nfs/dbraw/zinc/62/52/71/1119625271.db2.gz ITRPQIGCYZACJJ-OQLLNIDSSA-N 0 0 260.680 3.999 50 30 CHEARN O=C(/C=C\c1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000096766379 1119980941 /nfs/dbraw/zinc/98/09/41/1119980941.db2.gz DEQHXABAESHYPB-UTCJRWHESA-N 0 0 288.690 3.539 50 30 CHEARN N#Cc1c(N)nc2c(c1-c1cccs1)CCCCCC2 ZINC000019536104 1120559623 /nfs/dbraw/zinc/55/96/23/1120559623.db2.gz LOSJPYMOVONESZ-UHFFFAOYSA-N 0 0 283.400 3.923 50 30 CHEARN Cc1cc2c(n1-c1cccc(C#N)c1)CC(C)(C)CC2=O ZINC000002571187 1120656795 /nfs/dbraw/zinc/65/67/95/1120656795.db2.gz SHXUHQAXDUEORY-UHFFFAOYSA-N 0 0 278.355 3.813 50 30 CHEARN N#Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H](c1ccccc1)N2 ZINC000222361004 1121648554 /nfs/dbraw/zinc/64/85/54/1121648554.db2.gz OJBHROLRSPCVNR-ZTFGCOKTSA-N 0 0 276.339 3.803 50 30 CHEARN c1ccc2c(c1)cnnc2N=NC1CCCc2ccccc21 ZINC000254701500 1121685597 /nfs/dbraw/zinc/68/55/97/1121685597.db2.gz CIZOAKMUVJCGJT-UHFFFAOYSA-N 0 0 288.354 3.782 50 30 CHEARN O=C(/C=C/c1cccc(O)c1)c1c(Cl)nc2ccccn21 ZINC000078023158 1122252169 /nfs/dbraw/zinc/25/21/69/1122252169.db2.gz FOVGXFIXHNDGQD-BQYQJAHWSA-N 0 0 298.729 3.589 50 30 CHEARN N#Cc1cn(CCOc2ccccc2F)c2ccccc12 ZINC000000034115 1125418067 /nfs/dbraw/zinc/41/80/67/1125418067.db2.gz IVOXOYGHPHAHHR-UHFFFAOYSA-N 0 0 280.302 3.731 50 30 CHEARN Cc1cc(C)c(C#N)c(SCc2ccc(C#N)cc2)n1 ZINC000000617194 1125423172 /nfs/dbraw/zinc/42/31/72/1125423172.db2.gz CZGLJFNARSFOMG-UHFFFAOYSA-N 0 0 279.368 3.734 50 30 CHEARN O=C(/C=C/c1cccnc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000095941576 1129500585 /nfs/dbraw/zinc/50/05/85/1129500585.db2.gz PFVKHWJOQAVYNG-VOTSOKGWSA-N 0 0 288.690 3.539 50 30 CHEARN C=CCNc1nnc(SC/C=C\c2ccccc2)s1 ZINC000096449082 1129537473 /nfs/dbraw/zinc/53/74/73/1129537473.db2.gz MJSPKPMPWSGTOE-TWGQIWQCSA-N 0 0 289.429 3.942 50 30 CHEARN CCOc1cccc(/C=C2\Cc3c(cccc3O)C2=O)c1 ZINC000097152279 1129586092 /nfs/dbraw/zinc/58/60/92/1129586092.db2.gz VRGOFSKFIATBKW-UKTHLTGXSA-N 0 0 280.323 3.613 50 30 CHEARN C(=CN=Nc1nc2ccccc2[nH]1)Cc1ccccc1 ZINC000253995059 1129673218 /nfs/dbraw/zinc/67/32/18/1129673218.db2.gz KPJPSAJGKAYSMB-VFXUPEKQSA-N 0 0 262.316 3.674 50 30 CHEARN FC(F)Oc1cccc(C=NNc2ccccc2)c1 ZINC000254304085 1129683084 /nfs/dbraw/zinc/68/30/84/1129683084.db2.gz VZACPDUHDMYSTG-UHFFFAOYSA-N 0 0 262.259 3.734 50 30 CHEARN COc1ccc(C(C)=NN2[C@H](C)CCC[C@H]2C)c(OC)c1 ZINC000254483949 1129696923 /nfs/dbraw/zinc/69/69/23/1129696923.db2.gz WVWQSPFLYDQOJZ-CHWSQXEVSA-N 0 0 290.407 3.691 50 30 CHEARN C(=NN=c1[nH]c2ccccc2o1)c1c[nH]c2ccccc12 ZINC000254826672 1129712415 /nfs/dbraw/zinc/71/24/15/1129712415.db2.gz HUVARDVZCXUVNV-UHFFFAOYSA-N 0 0 276.299 3.755 50 30 CHEARN Nc1c(F)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1F ZINC000757185571 1132376431 /nfs/dbraw/zinc/37/64/31/1132376431.db2.gz BILFPHCUPOOMNC-UHFFFAOYSA-N 0 0 297.120 3.836 50 30 CHEARN O=C(/C=C\c1ccccc1[N+](=O)[O-])c1c[nH]c2ccccc12 ZINC000098007533 230389377 /nfs/dbraw/zinc/38/93/77/230389377.db2.gz QSTAPGVWVVZXMN-KTKRTIGZSA-N 0 0 292.294 3.972 50 30 CHEARN CCCCCn1cc(C(=O)NC[C@H](C)C#N)c2ccccc21 ZINC000095992014 185058475 /nfs/dbraw/zinc/05/84/75/185058475.db2.gz RWZMKGIRIGLYMK-CQSZACIVSA-N 0 0 297.402 3.721 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(C)cc2)cc1O ZINC000096766168 185112096 /nfs/dbraw/zinc/11/20/96/185112096.db2.gz VCXKSLUELZEWRM-UITAMQMPSA-N 0 0 268.312 3.605 50 30 CHEARN Cc1cc(/C=C2/COc3ccccc3C2=O)cc(C)c1O ZINC000096767423 185112509 /nfs/dbraw/zinc/11/25/09/185112509.db2.gz ALIWPHSJPQMBSC-ZROIWOOFSA-N 0 0 280.323 3.668 50 30 CHEARN N#Cc1ccc(/C=C2/CSc3ccccc3C2=O)cc1 ZINC000096792535 185114369 /nfs/dbraw/zinc/11/43/69/185114369.db2.gz WHZUMVJYIZYXKU-ZROIWOOFSA-N 0 0 277.348 3.930 50 30 CHEARN O=C(/C=C\c1ccc(F)c(F)c1)c1cccc(O)c1 ZINC000096792662 185114874 /nfs/dbraw/zinc/11/48/74/185114874.db2.gz JZTHGMXTYYBKAB-ALCCZGGFSA-N 0 0 260.239 3.567 50 30 CHEARN COc1cccc(/C=C\C(=O)c2ccccc2C)c1OC ZINC000096792726 185115109 /nfs/dbraw/zinc/11/51/09/185115109.db2.gz KIMFWOXKRNXNCS-QXMHVHEDSA-N 0 0 282.339 3.908 50 30 CHEARN Cc1ccc(/C=C2/Cc3c(cccc3O)C2=O)cc1 ZINC000096931931 185132336 /nfs/dbraw/zinc/13/23/36/185132336.db2.gz FRBUTMGYFZNUTK-LCYFTJDESA-N 0 0 250.297 3.523 50 30 CHEARN C#Cc1cccc(NC(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC000096942669 185133584 /nfs/dbraw/zinc/13/35/84/185133584.db2.gz PSYZNIKMYYKUPS-FLIBITNWSA-N 0 0 281.742 3.973 50 30 CHEARN C=CCOc1ccc(C(=O)N(C)[C@@H](C)c2ccco2)cc1 ZINC000084661176 178910129 /nfs/dbraw/zinc/91/01/29/178910129.db2.gz SSYSDRJQNPISNQ-ZDUSSCGKSA-N 0 0 285.343 3.678 50 30 CHEARN CC(C)[C@H]1C[C@@](CC#N)(Cc2ccccc2)CCO1 ZINC000085375930 179044134 /nfs/dbraw/zinc/04/41/34/179044134.db2.gz YGMRGLNLBOWLEJ-IAGOWNOFSA-N 0 0 257.377 3.964 50 30 CHEARN N#Cc1ccccc1-c1ccc(C(=O)N2CCCCC2)cc1 ZINC000085477074 179079558 /nfs/dbraw/zinc/07/95/58/179079558.db2.gz MNHQVANVDAWQCI-UHFFFAOYSA-N 0 0 290.366 3.851 50 30 CHEARN N#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100046740 185703348 /nfs/dbraw/zinc/70/33/48/185703348.db2.gz SIRKRRJSXWDMMJ-UHFFFAOYSA-N 0 0 295.051 3.613 50 30 CHEARN CCCCCCCCCCCCCOC[C@@H](O)CO ZINC000085809221 179176863 /nfs/dbraw/zinc/17/68/63/179176863.db2.gz DOFWOIRVDLZRBO-INIZCTEOSA-N 0 0 274.445 3.667 50 30 CHEARN CCCCCCCCCCCC[C@H](O)C(=O)OC ZINC000085913276 179197550 /nfs/dbraw/zinc/19/75/50/179197550.db2.gz ATFSJSYRBAGGIS-AWEZNQCLSA-N 0 0 258.402 3.831 50 30 CHEARN CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#N)CC[C@H]21 ZINC000102286960 185773987 /nfs/dbraw/zinc/77/39/87/185773987.db2.gz OCCKPAXCEIDZSF-IVMMDQJWSA-N 0 0 257.333 3.608 50 30 biogenic CHEARN O=C(C=CNc1cccc2ccccc21)C(F)(F)F ZINC000105924853 186090512 /nfs/dbraw/zinc/09/05/12/186090512.db2.gz UUKWIPJODJANNC-HJWRWDBZSA-N 0 0 265.234 3.897 50 30 CHEARN C[C@H](Nc1ncnc2ccc(F)cc21)c1cccc(C#N)c1 ZINC000170644296 188680938 /nfs/dbraw/zinc/68/09/38/188680938.db2.gz YSVSHETUTBLADU-NSHDSACASA-N 0 0 292.317 3.814 50 30 CHEARN N#CCc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000002584339 169814165 /nfs/dbraw/zinc/81/41/65/169814165.db2.gz BJEJFFSIEUOCNS-UHFFFAOYSA-N 0 0 253.145 3.790 50 30 CHEARN CC(C)c1nc(CN(C)Cc2ccccc2C#N)cs1 ZINC000215466173 189693492 /nfs/dbraw/zinc/69/34/92/189693492.db2.gz FTGZLJYOJUANRD-UHFFFAOYSA-N 0 0 285.416 3.770 50 30 CHEARN C[C@@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1[C@H]1O[C@H]1C2=O ZINC000257356668 190037576 /nfs/dbraw/zinc/03/75/76/190037576.db2.gz JORKPPZTZOSXIM-PGNHOOTLSA-N 0 0 288.431 3.976 50 30 CHEARN N#Cc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000000125280 169545314 /nfs/dbraw/zinc/54/53/14/169545314.db2.gz DQTNTQPYAZWWTJ-UHFFFAOYSA-N 0 0 271.707 3.856 50 30 CHEARN N#CC(C#N)[C@@H](CC(=O)c1ccccc1)c1cccs1 ZINC000000407476 169632653 /nfs/dbraw/zinc/63/26/53/169632653.db2.gz AODUFQZOKUAUPI-CQSZACIVSA-N 0 0 280.352 3.768 50 30 CHEARN CSC(=NSc1ccc([N+](=O)[O-])cc1)SC ZINC000000440785 169641263 /nfs/dbraw/zinc/64/12/63/169641263.db2.gz NXWIWEIMNMGHJJ-UHFFFAOYSA-N 0 0 274.392 3.684 50 30 CHEARN CC[C@@H](C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000000456061 169645137 /nfs/dbraw/zinc/64/51/37/169645137.db2.gz NJDJIBCVGFUGOR-OAHLLOKOSA-N 0 0 264.328 3.691 50 30 CHEARN Cc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1C ZINC000051354147 184565978 /nfs/dbraw/zinc/56/59/78/184565978.db2.gz UBFZZCWCEDGLEZ-UHFFFAOYSA-N 0 0 265.316 3.819 50 30 CHEARN CCCCO/C=C/C(=O)c1ccc(SC)cc1 ZINC000096308287 256889414 /nfs/dbraw/zinc/88/94/14/256889414.db2.gz ZPMWRQNNBUUHIZ-PKNBQFBNSA-N 0 0 250.363 3.922 50 30 CHEARN Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1Cl ZINC000000858575 169681422 /nfs/dbraw/zinc/68/14/22/169681422.db2.gz CGPOWMGBQMTDDE-UHFFFAOYSA-N 0 0 270.719 3.772 50 30 CHEARN C=Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 ZINC000225387065 130810454 /nfs/dbraw/zinc/81/04/54/130810454.db2.gz ILUOSYUVVXDZFA-AWEZNQCLSA-N 0 0 287.322 3.696 50 30 CHEARN COc1cccc([C@H](C#N)[C@H](C#N)c2ccccc2)c1OC ZINC000002518851 169800899 /nfs/dbraw/zinc/80/08/99/169800899.db2.gz YBHXSYSKNJRBNJ-CVEARBPZSA-N 0 0 292.338 3.618 50 30 CHEARN CCCCCCCCn1nnnc1NCc1ccccc1 ZINC000002518826 169800988 /nfs/dbraw/zinc/80/09/88/169800988.db2.gz NNZNPIBYTUYFAB-UHFFFAOYSA-N 0 0 287.411 3.646 50 30 CHEARN N#Cc1ccc(-c2nc3ccccc3s2)cc1C#N ZINC000002565427 169809856 /nfs/dbraw/zinc/80/98/56/169809856.db2.gz ZRIIKSZIELTYKB-UHFFFAOYSA-N 0 0 261.309 3.707 50 30 CHEARN N#Cc1ncc(C(F)(F)F)cc1Sc1ccccc1N ZINC000002567105 169810270 /nfs/dbraw/zinc/81/02/70/169810270.db2.gz RIYAVBCWDKJNNO-UHFFFAOYSA-N 0 0 295.289 3.705 50 30 CHEARN Cc1cc(C=C2C(=O)CC(C)(C)CC2=O)c(C)n1C1CC1 ZINC000003192722 169866913 /nfs/dbraw/zinc/86/69/13/169866913.db2.gz OAEVNYWKDBXIHN-UHFFFAOYSA-N 0 0 285.387 3.781 50 30 CHEARN Cc1cc(C(=O)CC#N)c(C)n1-c1ccc(Cl)cc1 ZINC000003361065 169882859 /nfs/dbraw/zinc/88/28/59/169882859.db2.gz LIYAMILFMNETHF-UHFFFAOYSA-N 0 0 272.735 3.844 50 30 CHEARN O=C(/C=C/c1ccccc1)c1cc2ccccc2oc1=O ZINC000003896055 169921650 /nfs/dbraw/zinc/92/16/50/169921650.db2.gz VDRABZCZJGJDSC-ZHACJKMWSA-N 0 0 276.291 3.689 50 30 biogenic CHEARN Cc1ccc(C(=O)O/N=C2\CCCc3ccccc32)cc1 ZINC000004014718 169930349 /nfs/dbraw/zinc/93/03/49/169930349.db2.gz RYVQMPQKETVJOU-HTXNQAPBSA-N 0 0 279.339 3.892 50 30 CHEARN O=C(Nc1ccccc1)N1CCS/C1=N\c1ccccc1 ZINC000004531399 169978764 /nfs/dbraw/zinc/97/87/64/169978764.db2.gz CMTXOCZFUVQSCA-VLGSPTGOSA-N 0 0 297.383 3.955 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1 ZINC000004713031 170003905 /nfs/dbraw/zinc/00/39/05/170003905.db2.gz LZKUKRHYIAJORK-VMPITWQZSA-N 0 0 273.313 3.861 50 30 CHEARN Cc1cc(OCC#N)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000004747515 170010836 /nfs/dbraw/zinc/01/08/36/170010836.db2.gz DAKBUYLQSJEOEX-UHFFFAOYSA-N 0 0 291.306 3.671 50 30 CHEARN O=[N+]([O-])c1ccc(/C=N/N=C2\C[C@H](c3ccccc3)N=N2)o1 ZINC000004754540 170012239 /nfs/dbraw/zinc/01/22/39/170012239.db2.gz HCBKLYQNERFMTN-BJBSBSRGSA-N 0 0 297.274 3.517 50 30 CHEARN O=C1/C(=C/c2cccnc2)CCC/C1=C\c1cccnc1 ZINC000004762362 170013558 /nfs/dbraw/zinc/01/35/58/170013558.db2.gz LYDLODGAUHPYGN-OTYYAQKOSA-N 0 0 276.339 3.697 50 30 CHEARN CCC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000004795985 170018558 /nfs/dbraw/zinc/01/85/58/170018558.db2.gz GQDGOHVEZIYAJL-ICFOKQHNSA-N 0 0 269.304 3.821 50 30 CHEARN N#Cc1ccc(OCc2cccc(Br)c2)cc1 ZINC000004826653 170024377 /nfs/dbraw/zinc/02/43/77/170024377.db2.gz PFNZBHHWHQBERA-UHFFFAOYSA-N 0 0 288.144 3.900 50 30 CHEARN C=CCOc1ccc(NC(=O)c2ccccc2OC)cc1 ZINC000004856618 170031601 /nfs/dbraw/zinc/03/16/01/170031601.db2.gz CTBQXFATDKWNRD-UHFFFAOYSA-N 0 0 283.327 3.512 50 30 CHEARN C=CCOc1ccc(NC(=O)c2ccccc2C)cc1 ZINC000004868313 170034005 /nfs/dbraw/zinc/03/40/05/170034005.db2.gz WQDLMSOHIDDKQJ-UHFFFAOYSA-N 0 0 267.328 3.812 50 30 CHEARN Cc1cc(C)nc(N=NCc2cccc3ccccc32)n1 ZINC000004880641 170035612 /nfs/dbraw/zinc/03/56/12/170035612.db2.gz CUJAPUSHKBHUAZ-WOJGMQOQSA-N 0 0 276.343 3.693 50 30 CHEARN CCCSC1=N/C(=C\c2ccc(F)cc2)C(=O)S1 ZINC000004915190 170040499 /nfs/dbraw/zinc/04/04/99/170040499.db2.gz ULOQRALJOMEYBL-FLIBITNWSA-N 0 0 281.377 3.939 50 30 CHEARN COc1ccc(C(=O)C=C(C)Nc2ccc(O)cc2C)cc1 ZINC000004917820 170041285 /nfs/dbraw/zinc/04/12/85/170041285.db2.gz WXXNVCYWDYHLCB-ACCUITESSA-N 0 0 297.354 3.908 50 30 CHEARN C/C(=N/OC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000005003555 170053953 /nfs/dbraw/zinc/05/39/53/170053953.db2.gz USZMRMOXPZKKKA-JJLAUHSJSA-N 0 0 279.339 3.758 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1OC ZINC000005080804 170064735 /nfs/dbraw/zinc/06/47/35/170064735.db2.gz MWFPOMHEKFNGLA-OQFOIZHKSA-N 0 0 286.302 3.739 50 30 CHEARN CO/N=C(/Cc1cccnc1)c1ccc(Cl)cc1Cl ZINC000005141038 170070598 /nfs/dbraw/zinc/07/05/98/170070598.db2.gz CKPCAYZTYMHQEX-JXAWBTAJSA-N 0 0 295.169 3.982 50 30 in-vitro CHEARN COc1cc(C(=O)/C=C/c2ccc(Cl)cc2)ccc1O ZINC000005156304 170071804 /nfs/dbraw/zinc/07/18/04/170071804.db2.gz REMYTIQITMSNEO-XBXARRHUSA-N 0 0 288.730 3.950 50 30 CHEARN CCOc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O ZINC000005215692 170076658 /nfs/dbraw/zinc/07/66/58/170076658.db2.gz SIQGZCXMZCHEAJ-DHDCSXOGSA-N 0 0 270.284 3.603 50 30 CHEARN CCOc1cccc(/C=N/c2cc(F)ccc2C)c1O ZINC000005287294 170083124 /nfs/dbraw/zinc/08/31/24/170083124.db2.gz GLZWVGSCFLPTRK-VCHYOVAHSA-N 0 0 273.307 3.989 50 30 CHEARN C[C@H](C#N)OC(=O)c1c2ccccc2nc2c1CCCCC2 ZINC000005291342 170083794 /nfs/dbraw/zinc/08/37/94/170083794.db2.gz NZBHXCJVCNQOGL-GFCCVEGCSA-N 0 0 294.354 3.573 50 30 CHEARN CC1(C)[C@H](CC#N)C[C@@H]1C(=O)/C=C/c1ccccc1 ZINC000005477874 170103120 /nfs/dbraw/zinc/10/31/20/170103120.db2.gz NJBLUXNBMCTNQT-VMFRVMOISA-N 0 0 253.345 3.845 50 30 CHEARN N#Cc1ccc(CSc2ncnc3ccccc32)cc1 ZINC000005517367 170107153 /nfs/dbraw/zinc/10/71/53/170107153.db2.gz SJROZTSNWJRASV-UHFFFAOYSA-N 0 0 277.352 3.794 50 30 CHEARN CCN(CC)c1ccc(/C=C/C(=O)c2cccnc2)cc1 ZINC000005603500 170118528 /nfs/dbraw/zinc/11/85/28/170118528.db2.gz YVFBKRKBRUUIHF-FMIVXFBMSA-N 0 0 280.371 3.824 50 30 CHEARN OC[C@H](/N=C(/c1ccccc1)C(F)(F)F)c1ccccc1 ZINC000005604333 170118917 /nfs/dbraw/zinc/11/89/17/170118917.db2.gz NNULSLZUCWLDJK-HGVMIPIXSA-N 0 0 293.288 3.772 50 30 CHEARN N#Cc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000005699352 170130191 /nfs/dbraw/zinc/13/01/91/170130191.db2.gz ZKIKSRJFEJKFLV-UHFFFAOYSA-N 0 0 290.244 3.829 50 30 CHEARN Cc1ccccc1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000005748366 170136654 /nfs/dbraw/zinc/13/66/54/170136654.db2.gz AONQOVMQGVFVNI-UHFFFAOYSA-N 0 0 270.719 3.772 50 30 CHEARN O=C(/C=C/c1ccc(O)cc1)c1ccccc1Cl ZINC000005771490 170139109 /nfs/dbraw/zinc/13/91/09/170139109.db2.gz FDGQCKIOOCJPLO-JXMROGBWSA-N 0 0 258.704 3.942 50 30 CHEARN C=CCn1c([C@@H](CCC(C)C)CC(C)(C)O)n[nH]c1=S ZINC000005789648 170140538 /nfs/dbraw/zinc/14/05/38/170140538.db2.gz RJWQBXHNZUOUFK-LBPRGKRZSA-N 0 0 297.468 3.807 50 30 CHEARN N#CCCCSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000006027907 170169851 /nfs/dbraw/zinc/16/98/51/170169851.db2.gz AKONNLSGVWMBGC-UHFFFAOYSA-N 0 0 279.346 3.600 50 30 CHEARN Cc1cccc(C(=O)C=CNc2ccc3c(c2)OCCO3)c1 ZINC000006276205 170187450 /nfs/dbraw/zinc/18/74/50/170187450.db2.gz SEDPRQMEDRVQCF-BQYQJAHWSA-N 0 0 295.338 3.575 50 30 CHEARN c1ccc2c(c1)cnnc2N=NC1C2CC3CC(C2)CC1C3 ZINC000006287586 170188690 /nfs/dbraw/zinc/18/86/90/170188690.db2.gz ZYKLBCXGFOEVEL-UHFFFAOYSA-N 0 0 292.386 3.854 50 30 CHEARN C=CCn1c(=S)[nH]nc1[C@@H](C)Oc1cccc(Cl)c1 ZINC000006525428 170210065 /nfs/dbraw/zinc/21/00/65/170210065.db2.gz VRSMSCVGAYKVFE-SECBINFHSA-N 0 0 295.795 3.920 50 30 CHEARN N#Cc1ccc(NC(=O)CCC2CCCCC2)cc1 ZINC000006526649 170210506 /nfs/dbraw/zinc/21/05/06/170210506.db2.gz OYARADFVIPRLBK-UHFFFAOYSA-N 0 0 256.349 3.857 50 30 CHEARN CCn1cc(/C=C/C(=O)c2ccc3ccccc3c2)cn1 ZINC000006637025 170220681 /nfs/dbraw/zinc/22/06/81/170220681.db2.gz RBEDAMCIEDFGJL-JXMROGBWSA-N 0 0 276.339 3.952 50 30 CHEARN C=CCOc1ccc(NC(=O)c2ccc(OC)cc2)cc1 ZINC000006702552 170229820 /nfs/dbraw/zinc/22/98/20/170229820.db2.gz MZKKVNBOPZHMQB-UHFFFAOYSA-N 0 0 283.327 3.512 50 30 CHEARN C=CCSc1ccccc1C(=O)Nc1cccnc1 ZINC000006715935 170231974 /nfs/dbraw/zinc/23/19/74/170231974.db2.gz FJWSHUWTVGQIJD-UHFFFAOYSA-N 0 0 270.357 3.612 50 30 CHEARN C=CCOc1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000006745980 170238908 /nfs/dbraw/zinc/23/89/08/170238908.db2.gz HIZUXXLWMYZUOU-UHFFFAOYSA-N 0 0 274.364 3.706 50 30 CHEARN C=CCn1c2ccccc2nc1NCc1ccccc1F ZINC000006752543 170240938 /nfs/dbraw/zinc/24/09/38/170240938.db2.gz CSEHIBJEWGVJJK-UHFFFAOYSA-N 0 0 281.334 3.974 50 30 CHEARN Cc1nc2ccccc2c(SCCCCC#N)n1 ZINC000006850901 170249036 /nfs/dbraw/zinc/24/90/36/170249036.db2.gz HXYYYOGECHBZOF-UHFFFAOYSA-N 0 0 257.362 3.724 50 30 CHEARN C=CCN(C(=O)c1noc2c1CCCCC2)c1ccccc1 ZINC000006999977 170261431 /nfs/dbraw/zinc/26/14/31/170261431.db2.gz NNSMCIWUBQWCJB-UHFFFAOYSA-N 0 0 296.370 3.776 50 30 CHEARN N#Cc1ccsc1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000007158707 170269484 /nfs/dbraw/zinc/26/94/84/170269484.db2.gz HKGBVZWWBQJPEF-UHFFFAOYSA-N 0 0 298.154 3.574 50 30 CHEARN Cc1cc(C)c(/C=C/C(=O)c2cccnc2)cc1C ZINC000007739871 170299960 /nfs/dbraw/zinc/29/99/60/170299960.db2.gz LSHZSDAUHVEMFF-VOTSOKGWSA-N 0 0 251.329 3.903 50 30 CHEARN CC(=O)Nc1ccc(/C=C/C(=O)c2ccccc2F)cc1 ZINC000007740998 170300143 /nfs/dbraw/zinc/30/01/43/170300143.db2.gz RMMALSXYPDECQR-DHZHZOJOSA-N 0 0 283.302 3.680 50 30 CHEARN O=C(/C=C/c1cccc(Cl)c1)c1cccc(O)c1 ZINC000008322396 170330907 /nfs/dbraw/zinc/33/09/07/170330907.db2.gz HWENTGQOATXSPU-BQYQJAHWSA-N 0 0 258.704 3.942 50 30 CHEARN C=C(C)COc1cccc(C(=O)NCc2ccc(F)cc2)c1 ZINC000008570631 170341556 /nfs/dbraw/zinc/34/15/56/170341556.db2.gz QTBZFPOIOGHWAZ-UHFFFAOYSA-N 0 0 299.345 3.711 50 30 CHEARN COc1ccc(NC(=S)NN2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000008687724 170345852 /nfs/dbraw/zinc/34/58/52/170345852.db2.gz ONHCMFCIWAEVCM-RYUDHWBXSA-N 0 0 293.436 3.571 50 30 CHEARN N#Cc1ccc(/C=C2\CSc3ccccc3C2=O)cc1 ZINC000009691461 170384217 /nfs/dbraw/zinc/38/42/17/170384217.db2.gz WHZUMVJYIZYXKU-NTEUORMPSA-N 0 0 277.348 3.930 50 30 CHEARN C=C(C)COc1cccc(NC(=O)COc2ccccc2)c1 ZINC000009823779 170386371 /nfs/dbraw/zinc/38/63/71/170386371.db2.gz ZGWBIBYTXWQLSY-UHFFFAOYSA-N 0 0 297.354 3.659 50 30 CHEARN COc1ccc(/N=C2/SCC(C(C)(C)C)=NN2C)cc1 ZINC000013468753 170552761 /nfs/dbraw/zinc/55/27/61/170552761.db2.gz YIVNYBQBSHWHIC-JQIJEIRASA-N 0 0 291.420 3.763 50 30 CHEARN Cc1ccc(/C=C2/COc3ccccc3C2=O)cc1 ZINC000013763599 170590346 /nfs/dbraw/zinc/59/03/46/170590346.db2.gz WBNQZJCOQHDUHB-UVTDQMKNSA-N 0 0 250.297 3.654 50 30 CHEARN Cc1ccc2c(c1)/C(=N\c1ccc(C)c(C)c1)C(=O)N2 ZINC000013855875 170604861 /nfs/dbraw/zinc/60/48/61/170604861.db2.gz CGGQOBXQUQKYEZ-UHFFFAOYSA-N 0 0 264.328 3.685 50 30 CHEARN O=C1CCCCC1=CNc1ccc(Br)cc1 ZINC000018067013 170741424 /nfs/dbraw/zinc/74/14/24/170741424.db2.gz GYOKGFBGQVTWHW-KTKRTIGZSA-N 0 0 280.165 3.888 50 30 CHEARN CCCSc1nc(N)c(C#N)c(-c2ccccc2)c1C#N ZINC000019595480 170830205 /nfs/dbraw/zinc/83/02/05/170830205.db2.gz YUAPYHWWJAORQB-UHFFFAOYSA-N 0 0 294.383 3.576 50 30 CHEARN CC#CCn1ccc(-c2cccc(-c3nccs3)c2)n1 ZINC000020167334 171040931 /nfs/dbraw/zinc/04/09/31/171040931.db2.gz MORYSBNSYZICRG-UHFFFAOYSA-N 0 0 279.368 3.697 50 30 CHEARN CCc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C ZINC000020389394 171178417 /nfs/dbraw/zinc/17/84/17/171178417.db2.gz WYKFMQVTLGCOQL-UHFFFAOYSA-N 0 0 271.751 3.727 50 30 CHEARN Cn1ccc(-c2cccc(-c3ccc(C#N)cc3)c2)n1 ZINC000020785824 171272908 /nfs/dbraw/zinc/27/29/08/171272908.db2.gz HTSSHKWVZUXXEP-UHFFFAOYSA-N 0 0 259.312 3.626 50 30 CHEARN Cc1noc2c1[C@@H](c1ccccc1C)C1=C(CCCC1=O)N2 ZINC000021660272 171318661 /nfs/dbraw/zinc/31/86/61/171318661.db2.gz YEFFZILGNSYMBK-MRXNPFEDSA-N 0 0 294.354 3.856 50 30 CHEARN Cc1cc(NC(=O)c2ccc(C#N)cc2)c2ccccc2n1 ZINC000022264209 171383002 /nfs/dbraw/zinc/38/30/02/171383002.db2.gz ORRAPQXCFICWRH-UHFFFAOYSA-N 0 0 287.322 3.667 50 30 CHEARN N#CCCN1CCCC[C@H]1c1nc2ccccc2s1 ZINC000024863567 171442147 /nfs/dbraw/zinc/44/21/47/171442147.db2.gz AJHDMZOZKHVECG-ZDUSSCGKSA-N 0 0 271.389 3.737 50 30 CHEARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000033403266 171789967 /nfs/dbraw/zinc/78/99/67/171789967.db2.gz YNTQJIBSFGNMIH-SREVYHEPSA-N 0 0 259.286 3.552 50 30 CHEARN C=C(C)c1nnc(-c2ccc(Br)cc2)o1 ZINC000038537004 174144759 /nfs/dbraw/zinc/14/47/59/174144759.db2.gz YUUBWQRLLKKXNN-UHFFFAOYSA-N 0 0 265.110 3.532 50 30 CHEARN CCCCC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000040049491 174184978 /nfs/dbraw/zinc/18/49/78/174184978.db2.gz ZBHCDMDAVBXSRJ-UHFFFAOYSA-N 0 0 278.355 3.610 50 30 CHEARN CCN(Cc1ccc(C#N)cc1F)C(=O)c1cccc(C)c1 ZINC000040108421 174192200 /nfs/dbraw/zinc/19/22/00/174192200.db2.gz RVSMLVDTHVFJCT-UHFFFAOYSA-N 0 0 296.345 3.668 50 30 CHEARN N#CC1(NC(=O)c2ccc3ccccc3c2)CCCCC1 ZINC000040215329 174204248 /nfs/dbraw/zinc/20/42/48/174204248.db2.gz QCGFGIZCUQWECV-UHFFFAOYSA-N 0 0 278.355 3.796 50 30 CHEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)Br ZINC000044351466 175166466 /nfs/dbraw/zinc/16/64/66/175166466.db2.gz CVEIKEYTQKDDQK-UHFFFAOYSA-N 0 0 298.930 3.807 50 30 CHEARN COc1cccc(/C=N/c2c(C)cccc2C)c1O ZINC000044835913 175262356 /nfs/dbraw/zinc/26/23/56/175262356.db2.gz SZLZMKVBOXJBLV-LICLKQGHSA-N 0 0 255.317 3.768 50 30 CHEARN CCOc1cccc(/C=N/[C@@H](C)c2ccccc2)c1O ZINC000044836104 175262860 /nfs/dbraw/zinc/26/28/60/175262860.db2.gz ULPGNARTZYCJML-HTMJNSLASA-N 0 0 269.344 3.971 50 30 CHEARN N#Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccsc2)c1 ZINC000044936996 175281725 /nfs/dbraw/zinc/28/17/25/175281725.db2.gz KXAVJSDVHQGPIX-OAHLLOKOSA-N 0 0 297.383 3.989 50 30 CHEARN CCN(C(=O)c1ccoc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000045500026 175381127 /nfs/dbraw/zinc/38/11/27/175381127.db2.gz WXPPLYIBTSEVCY-LBPRGKRZSA-N 0 0 282.343 3.683 50 30 CHEARN CCO[C@H](C)c1ccc(-c2ncccc2C#N)cc1 ZINC000067605684 175779254 /nfs/dbraw/zinc/77/92/54/175779254.db2.gz LWLZYZIQSQLACN-GFCCVEGCSA-N 0 0 252.317 3.718 50 30 CHEARN CCOC(=O)c1c2ccc(C#N)cc2[nH]c1-c1ccccc1 ZINC000068675272 175812929 /nfs/dbraw/zinc/81/29/29/175812929.db2.gz HVLNMHUZRWXUPJ-UHFFFAOYSA-N 0 0 290.322 3.883 50 30 CHEARN N#CCc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000071575911 176203310 /nfs/dbraw/zinc/20/33/10/176203310.db2.gz MJUOCSWMYVPAMY-UHFFFAOYSA-N 0 0 254.358 3.755 50 30 CHEARN CCc1cc(CNc2c(C#N)cnc3c(C)cccc32)on1 ZINC000078302590 177331806 /nfs/dbraw/zinc/33/18/06/177331806.db2.gz WBGXJZOZRRPZQY-UHFFFAOYSA-N 0 0 292.342 3.577 50 30 CHEARN COc1ccc(NC=CC(=O)c2cccc(OC)c2)cc1 ZINC000004663694 260015995 /nfs/dbraw/zinc/01/59/95/260015995.db2.gz GEZKOZBIBIXUJY-ZHACJKMWSA-N 0 0 283.327 3.512 50 30 CHEARN C#Cc1cccc(NC(=O)c2ccccc2SCC#N)c1 ZINC000023010121 260125206 /nfs/dbraw/zinc/12/52/06/260125206.db2.gz AYAAZMVKSAVKJR-UHFFFAOYSA-N 0 0 292.363 3.536 50 30 CHEARN N#C[C@@H](C(=O)CCc1cccc(Cl)c1)c1ccccn1 ZINC000041492088 260183860 /nfs/dbraw/zinc/18/38/60/260183860.db2.gz NEXWFDCMJYJWBC-CQSZACIVSA-N 0 0 284.746 3.544 50 30 CHEARN CCOc1cccc(/C=N/c2ccccc2F)c1O ZINC000006508970 326818915 /nfs/dbraw/zinc/81/89/15/326818915.db2.gz RIWGCNDRBMYWGW-LICLKQGHSA-N 0 0 259.280 3.681 50 30 CHEARN O=C(Cc1nc2ccccc2[nH]c1=O)c1ccc(F)cc1 ZINC000015220781 326845150 /nfs/dbraw/zinc/84/51/50/326845150.db2.gz UIXFWJVCVKBYOF-NTEUORMPSA-N 0 0 282.274 3.606 50 30 CHEARN CC(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000032915034 326898034 /nfs/dbraw/zinc/89/80/34/326898034.db2.gz JCECARWRZMYCPB-QGZVFWFLSA-N 0 0 278.355 3.937 50 30 CHEARN N#Cc1ccc(C=Cc2c[nH]c(-c3ccccc3)n2)nc1 ZINC000255726072 327008565 /nfs/dbraw/zinc/00/85/65/327008565.db2.gz FZGVNHBROVMKCN-HJWRWDBZSA-N 0 0 272.311 3.514 50 30 CHEARN C[C@@H]1CCC2=C(C3(CC2)SCCS3)[C@@]1(C)C=O ZINC000045071866 328754624 /nfs/dbraw/zinc/75/46/24/328754624.db2.gz GKTSPAHUOPQXLZ-MFKMUULPSA-N 0 0 268.447 3.888 50 30 CHEARN N#CC[C@H]1C[C@H]2[C@H]3C[C@@H](CC#N)[C@H]4[C@@H]5C=C[C@@H]6[C@H]5[C@@H]([C@H]2[C@H]16)[C@@H]34 ZINC000253614277 328757529 /nfs/dbraw/zinc/75/75/29/328757529.db2.gz OGHCMZRVEOKIBU-DCSOIGAASA-N 0 0 290.410 3.626 50 30 CHEARN C/C(=N\OCCO/N=C(\C)c1ccccc1)c1ccccc1 ZINC000005059041 518472138 /nfs/dbraw/zinc/47/21/38/518472138.db2.gz RWCKFIWNPCJXMB-MXWIWYRXSA-N 0 0 296.370 3.868 50 30 CHEARN C=CCc1cc(-c2nc3ccccc3[nH]2)cc(OC)c1O ZINC000055088183 519123108 /nfs/dbraw/zinc/12/31/08/519123108.db2.gz QWVJDZVAPAZHSH-UHFFFAOYSA-N 0 0 280.327 3.673 50 30 CHEARN CCCCCCCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000100719646 520034918 /nfs/dbraw/zinc/03/49/18/520034918.db2.gz KSGBGJPFXWSKIW-UHFFFAOYSA-N 0 0 292.379 3.994 50 30 CHEARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000008496216 522890248 /nfs/dbraw/zinc/89/02/48/522890248.db2.gz VRJGLVYISFYTQR-KRWDZBQOSA-N 0 0 294.354 3.549 50 30 CHEARN CN1c2ccccc2C=C/C1=C\C=C1C=CC(=O)C=C1 ZINC000334157855 524035280 /nfs/dbraw/zinc/03/52/80/524035280.db2.gz MHXPBDRJBLYRCN-MHWRWJLKSA-N 0 0 261.324 3.655 50 30 CHEARN Cc1c2ccccc2oc1C(=O)N(CCC#N)C(C)C ZINC000069517275 525976549 /nfs/dbraw/zinc/97/65/49/525976549.db2.gz RWENQUHHFRHPCP-UHFFFAOYSA-N 0 0 270.332 3.506 50 30 CHEARN N#Cc1ccc(C=Cc2c[nH]c(-c3ccccc3)n2)nc1 ZINC000172817596 526586132 /nfs/dbraw/zinc/58/61/32/526586132.db2.gz FZGVNHBROVMKCN-CMDGGOBGSA-N 0 0 272.311 3.514 50 30 CHEARN C#CCCCCC(=O)Nc1c(C)cccc1SC ZINC000184229574 526690653 /nfs/dbraw/zinc/69/06/53/526690653.db2.gz FWRBERHFJNUXPC-UHFFFAOYSA-N 0 0 261.390 3.849 50 30 CHEARN CC(=O)Nc1cccc(CSc2cccc(C#N)c2)c1 ZINC000096467329 527060878 /nfs/dbraw/zinc/06/08/78/527060878.db2.gz WLTQCKDSYYESDI-UHFFFAOYSA-N 0 0 282.368 3.809 50 30 CHEARN CCCCCCCCNC(=O)COc1ccccc1 ZINC000097941760 528129502 /nfs/dbraw/zinc/12/95/02/528129502.db2.gz FKBHZOGTJRZHQQ-UHFFFAOYSA-N 0 0 263.381 3.542 50 30 CHEARN CC(C)=C[C@@H]1[C@@H](C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)C1(C)C ZINC000229731624 535372017 /nfs/dbraw/zinc/37/20/17/535372017.db2.gz AJNYFYOZLVZJPF-LZWOXQAQSA-N 0 0 297.402 3.508 50 30 CHEARN CCCSC1=N/C(=C\C=C\c2ccco2)C(=O)S1 ZINC000012731642 567863950 /nfs/dbraw/zinc/86/39/50/567863950.db2.gz NJAKAYNSGVTTFF-PGACXJNKSA-N 0 0 279.386 3.949 50 30 CHEARN CCCC(CCC)=NNC(=S)NC1CCCCC1 ZINC000005786046 566827567 /nfs/dbraw/zinc/82/75/67/566827567.db2.gz AKNPMQIIDGRAAZ-UHFFFAOYSA-N 0 0 269.458 3.739 50 30 CHEARN N#CC1(C(=O)Nc2ccc3[nH]ccc3c2)CCCCC1 ZINC000079043209 566829511 /nfs/dbraw/zinc/82/95/11/566829511.db2.gz QGGFDQBWHZUPNI-UHFFFAOYSA-N 0 0 267.332 3.580 50 30 CHEARN C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@H]2O ZINC000253498980 566832347 /nfs/dbraw/zinc/83/23/47/566832347.db2.gz RSIHSRDYCUFFLA-VEAXJEOVSA-N 0 0 286.415 3.655 50 30 CHEARN Cn1cc(-c2ccccc2CNc2ccc(C#N)cc2)cn1 ZINC000366964032 566843982 /nfs/dbraw/zinc/84/39/82/566843982.db2.gz WWILEZNGCDWSMG-UHFFFAOYSA-N 0 0 288.354 3.571 50 30 CHEARN CSc1ccc(C#N)cc1NC(=O)c1ccccc1C ZINC000001383050 566867464 /nfs/dbraw/zinc/86/74/64/566867464.db2.gz DNISEWKNJMJDAL-UHFFFAOYSA-N 0 0 282.368 3.841 50 30 CHEARN Cc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004582414 566867484 /nfs/dbraw/zinc/86/74/84/566867484.db2.gz SBRXCTYIGBXNJY-WDZFZDKYSA-N 0 0 267.284 3.799 50 30 CHEARN N#Cc1ncc(C(F)(F)F)cc1Nc1ccc(F)cc1 ZINC000001391422 566868671 /nfs/dbraw/zinc/86/86/71/566868671.db2.gz JMMCSTYJUNBTDD-UHFFFAOYSA-N 0 0 281.212 3.855 50 30 CHEARN COc1ccnc(Oc2cccc(C(F)(F)F)c2)c1C#N ZINC000001391994 566869930 /nfs/dbraw/zinc/86/99/30/566869930.db2.gz CFWLONICMGQEOY-UHFFFAOYSA-N 0 0 294.232 3.773 50 30 CHEARN N#Cc1ccc(NCc2csc(-c3ccccc3)n2)nc1 ZINC000012777371 566886283 /nfs/dbraw/zinc/88/62/83/566886283.db2.gz DFAJYSRPYCPTDX-UHFFFAOYSA-N 0 0 292.367 3.689 50 30 CHEARN COc1ccc2[nH]c(SCCC(C)(C)C#N)nc2c1 ZINC000087324152 566886413 /nfs/dbraw/zinc/88/64/13/566886413.db2.gz FPZHIHLUEIKIHO-UHFFFAOYSA-N 0 0 275.377 3.603 50 30 CHEARN C=CCn1c(COc2ccccc2)nc2ccccc21 ZINC000000114192 566898646 /nfs/dbraw/zinc/89/86/46/566898646.db2.gz FUAYEDDOAXHBOY-UHFFFAOYSA-N 0 0 264.328 3.801 50 30 CHEARN C=C(Br)CSCc1nc2ccccc2[nH]1 ZINC000000561995 566899609 /nfs/dbraw/zinc/89/96/09/566899609.db2.gz UKRBXHVBPGPBIH-UHFFFAOYSA-N 0 0 283.194 3.705 50 30 CHEARN C=CCn1cnc2sc(C)c(-c3ccc(C)cc3)c2c1=O ZINC000001942806 566901853 /nfs/dbraw/zinc/90/18/53/566901853.db2.gz XVTHTIRLBUGJPY-UHFFFAOYSA-N 0 0 296.395 3.928 50 30 CHEARN N#Cc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000015788110 566906302 /nfs/dbraw/zinc/90/63/02/566906302.db2.gz KKJYUFSMRVYPOP-CQSZACIVSA-N 0 0 282.368 3.597 50 30 CHEARN Cc1ccccc1NC1=C(Cl)C(=O)c2ccccc2C1=O ZINC000001726921 566911273 /nfs/dbraw/zinc/91/12/73/566911273.db2.gz YAYFVDVCXXGDPM-UHFFFAOYSA-N 0 0 297.741 3.937 50 30 CHEARN CCOc1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000002171597 566913977 /nfs/dbraw/zinc/91/39/77/566913977.db2.gz XAHYMWZEWOBOCL-LFIBNONCSA-N 0 0 270.288 3.744 50 30 CHEARN N#C[C@H]1CCC[C@H]1Nc1ncnc2sc3c(c21)CCCC3 ZINC000075092952 566935634 /nfs/dbraw/zinc/93/56/34/566935634.db2.gz REEDQTQYKAXEKZ-ZYHUDNBSSA-N 0 0 298.415 3.674 50 30 CHEARN O=C(CCOc1ccccc1)NC1CCC(F)(F)CC1 ZINC000330031875 566960325 /nfs/dbraw/zinc/96/03/25/566960325.db2.gz FIRMYZNGLRONPW-UHFFFAOYSA-N 0 0 283.318 3.990 50 30 CHEARN C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O ZINC000031483555 566962413 /nfs/dbraw/zinc/96/24/13/566962413.db2.gz YEWSFUFGMDJFFG-QAGGRKNESA-N 0 0 284.399 3.863 50 30 CHEARN C[C@@H](Nc1ncnc2cccc(F)c21)c1ccc(C#N)cc1 ZINC000054058409 566971845 /nfs/dbraw/zinc/97/18/45/566971845.db2.gz RERNFTUNOMCXCY-LLVKDONJSA-N 0 0 292.317 3.814 50 30 CHEARN C=C(C)C(=O)OCCn1c2ccccc2c2ccccc21 ZINC000002030425 566975404 /nfs/dbraw/zinc/97/54/04/566975404.db2.gz PCRXBGQWYLIHKQ-UHFFFAOYSA-N 0 0 279.339 3.914 50 30 biogenic CHEARN C[C@H]1Oc2ccccc2C=C1/C=C/C(=O)c1ccc(O)cc1 ZINC000012895412 566976110 /nfs/dbraw/zinc/97/61/10/566976110.db2.gz KFWCDKZQGODNOI-RUNBWSAHSA-N 0 0 292.334 3.996 50 30 biogenic CHEARN Cc1ccnc2[nH]c(SCc3ccc(F)cc3C#N)nc21 ZINC000239654058 567009785 /nfs/dbraw/zinc/00/97/85/567009785.db2.gz BMPCSBJXKBCTDH-UHFFFAOYSA-N 0 0 298.346 3.569 50 30 CHEARN Oc1ccccc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000252462816 567051299 /nfs/dbraw/zinc/05/12/99/567051299.db2.gz WOEBAKPXJFRAPH-UHFFFAOYSA-N 0 0 295.367 3.962 50 30 CHEARN Cc1cccc(-c2nnc(S[C@@H](C)CCC#N)n2C)c1 ZINC000252507976 567059561 /nfs/dbraw/zinc/05/95/61/567059561.db2.gz WZDWAZIGQYCFEJ-LBPRGKRZSA-N 0 0 286.404 3.575 50 30 CHEARN COc1cc(OC)c(/N=C\c2ccccc2O)cc1Cl ZINC000002160193 567060637 /nfs/dbraw/zinc/06/06/37/567060637.db2.gz VTSXAEWTTOXZHR-MFOYZWKCSA-N 0 0 291.734 3.813 50 30 CHEARN CC1(C)C[C@H](O)c2cc(N[C@H]3CCC[C@@H](C#N)C3)ccc21 ZINC000252498831 567060824 /nfs/dbraw/zinc/06/08/24/567060824.db2.gz RNBKJNTXQNBLLB-IGCXYCKISA-N 0 0 284.403 3.896 50 30 CHEARN CCOc1cccc(C=Nc2cccc3nsnc32)c1O ZINC000252595997 567066297 /nfs/dbraw/zinc/06/62/97/567066297.db2.gz CFGCTCACYAHZFM-UHFFFAOYSA-N 0 0 299.355 3.546 50 30 CHEARN Cc1ccc(C(=O)ON=C2C=C(C(C)C)C(=O)C=C2C)cc1 ZINC000252625397 567068182 /nfs/dbraw/zinc/06/81/82/567068182.db2.gz QJDHTGOJTXHYEL-UHFFFAOYSA-N 0 0 297.354 3.619 50 30 CHEARN CC(C)(C)[C@]1([C@H]2O[C@@H]2c2ccc(Cl)cc2)CO1 ZINC000002274383 567073200 /nfs/dbraw/zinc/07/32/00/567073200.db2.gz NTXHEYMUPOIYSN-MBNYWOFBSA-N 0 0 252.741 3.595 50 30 CHEARN N#Cc1c(N)nc2c(c1-c1ccc(Cl)cc1)CCCC2 ZINC000018143195 567107891 /nfs/dbraw/zinc/10/78/91/567107891.db2.gz ACWNROPVQQXFAO-UHFFFAOYSA-N 0 0 283.762 3.735 50 30 CHEARN COc1ccc(-c2c(C)sc(NC(C)=O)c2C#N)cc1 ZINC000013327989 567118974 /nfs/dbraw/zinc/11/89/74/567118974.db2.gz HYMCSWCBJJGLSP-UHFFFAOYSA-N 0 0 286.356 3.562 50 30 CHEARN Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)cs1 ZINC000013327642 567119236 /nfs/dbraw/zinc/11/92/36/567119236.db2.gz OXOQDTWNWMWZTI-UHFFFAOYSA-N 0 0 288.397 3.731 50 30 CHEARN Cc1cc(C)cc(CCC(=O)c2cccc(C#N)c2)c1 ZINC000002517687 567119788 /nfs/dbraw/zinc/11/97/88/567119788.db2.gz VGMDXSWBTXHCRE-UHFFFAOYSA-N 0 0 263.340 3.991 50 30 CHEARN CCc1nc(NCCC(C)C)c(C#N)c2c1CCCC2 ZINC000019706987 567122072 /nfs/dbraw/zinc/12/20/72/567122072.db2.gz BXFBZVYWFSEXCS-UHFFFAOYSA-N 0 0 271.408 3.852 50 30 CHEARN O=C(Cc1ccsc1)NCc1nccn1-c1ccccc1 ZINC000330032399 567126370 /nfs/dbraw/zinc/12/63/70/567126370.db2.gz MNOMQNADMDABKM-UHFFFAOYSA-N 0 0 297.383 3.633 50 30 CHEARN C=CCCCCCCCCCSc1nc(N)n[nH]1 ZINC000094993248 567126968 /nfs/dbraw/zinc/12/69/68/567126968.db2.gz QJJAUDWFHVGDQI-UHFFFAOYSA-N 0 0 268.430 3.786 50 30 CHEARN O=C1c2ccc(O)cc2CC/C1=C/c1ccccc1 ZINC000096315802 567140220 /nfs/dbraw/zinc/14/02/20/567140220.db2.gz RLOCYFFTXGLYGZ-UVTDQMKNSA-N 0 0 250.297 3.605 50 30 CHEARN Cc1nc(-c2ccc(C#N)cc2)n(-c2ccc(N)cc2)c1C ZINC000002553898 567149205 /nfs/dbraw/zinc/14/92/05/567149205.db2.gz ZTQTUATXALMELW-UHFFFAOYSA-N 0 0 288.354 3.610 50 30 CHEARN CCSc1ccccc1C(=O)Nc1ccccc1C#N ZINC000002852699 567152800 /nfs/dbraw/zinc/15/28/00/567152800.db2.gz HLRNRGSCAUEAHL-UHFFFAOYSA-N 0 0 282.368 3.923 50 30 CHEARN C[C@H](Nc1ncnc2ccccc21)c1ccc(C#N)cc1 ZINC000029588825 567156163 /nfs/dbraw/zinc/15/61/63/567156163.db2.gz PNUTWEJKNPOSLN-LBPRGKRZSA-N 0 0 274.327 3.675 50 30 CHEARN Cc1noc(C)c1CSCc1ccc(C#N)cc1 ZINC000057654596 567160527 /nfs/dbraw/zinc/16/05/27/567160527.db2.gz ZDOWGYFKRMOYGB-UHFFFAOYSA-N 0 0 258.346 3.597 50 30 CHEARN C=CC[C@H]1CC=C[C@@H](C)N1C(=O)OCc1ccccc1 ZINC000003354708 567172741 /nfs/dbraw/zinc/17/27/41/567172741.db2.gz ZIHKRMPHQOGTEV-ZBFHGGJFSA-N 0 0 271.360 3.918 50 30 CHEARN CCn1c(S[C@@H](C)C#N)nnc1-c1ccc(Cl)cc1 ZINC000003498969 567176911 /nfs/dbraw/zinc/17/69/11/567176911.db2.gz HQWDKVSXLMEFJF-VIFPVBQESA-N 0 0 292.795 3.623 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1Oc1ccccc1Cl ZINC000003611784 567179719 /nfs/dbraw/zinc/17/97/19/567179719.db2.gz OVUDUJKNHDOXEX-UHFFFAOYSA-N 0 0 274.663 3.912 50 30 CHEARN COc1ccc(/C=C/C(=O)c2c(C)nc3ccccn32)cc1 ZINC000004002926 567181065 /nfs/dbraw/zinc/18/10/65/567181065.db2.gz BDUPTEXAYHRIKB-DHZHZOJOSA-N 0 0 292.338 3.547 50 30 CHEARN CSc1ccc([C@H](C)NC(=O)c2ccc(C#N)cc2)cc1 ZINC000031694522 567181360 /nfs/dbraw/zinc/18/13/60/567181360.db2.gz BOMDJJZNOFTRGU-LBPRGKRZSA-N 0 0 296.395 3.771 50 30 CHEARN O=C(Nc1cc(Cl)c(F)cc1[N+](=O)[O-])C(F)(F)F ZINC000004276736 567191723 /nfs/dbraw/zinc/19/17/23/567191723.db2.gz VVYISDLLOLJBNR-UHFFFAOYSA-N 0 0 286.568 3.538 50 30 CHEARN O=C(/C=C/c1ccccc1O)c1ccccc1Cl ZINC000004288278 567192767 /nfs/dbraw/zinc/19/27/67/567192767.db2.gz GJHOECHVMHCVTK-MDZDMXLPSA-N 0 0 258.704 3.942 50 30 CHEARN Cc1ccc(C#N)cc1NC(=O)Nc1cc(C#N)ccc1C ZINC000069452484 567200706 /nfs/dbraw/zinc/20/07/06/567200706.db2.gz ZCPUKTYLIWCCCL-UHFFFAOYSA-N 0 0 290.326 3.691 50 30 CHEARN C=C(Cl)CSc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000071877735 567206964 /nfs/dbraw/zinc/20/69/64/567206964.db2.gz RVOHTDWBRWNLBJ-UHFFFAOYSA-N 0 0 265.769 3.625 50 30 CHEARN CC(C)(C#N)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 ZINC000025437950 567213654 /nfs/dbraw/zinc/21/36/54/567213654.db2.gz HLIPPGUOTSCCTN-ZDUSSCGKSA-N 0 0 268.360 3.783 50 30 CHEARN Cc1[nH]c2ccccc2c1/C=N/c1ccc(O)cc1 ZINC000000046098 567817033 /nfs/dbraw/zinc/81/70/33/567817033.db2.gz CNPNCAOCVPCUOV-LICLKQGHSA-N 0 0 250.301 3.933 50 30 CHEARN CC(=O)c1ccccc1N[C@@H](C#N)c1ccccc1 ZINC000000102292 567818139 /nfs/dbraw/zinc/81/81/39/567818139.db2.gz SKZAGHGTJDLZMI-INIZCTEOSA-N 0 0 250.301 3.566 50 30 CHEARN CC(C)(C)c1ccc(O)c(/C(=N/O)c2ccccc2)c1 ZINC000000133192 567819658 /nfs/dbraw/zinc/81/96/58/567819658.db2.gz AKLGESQYXMFHBK-FBMGVBCBSA-N 0 0 269.344 3.916 50 30 CHEARN C=C1SC(Nc2cccc(Cl)c2)=NC1(C)C ZINC000000167425 567820986 /nfs/dbraw/zinc/82/09/86/567820986.db2.gz OHPOLOWQRDIKJN-UHFFFAOYSA-N 0 0 252.770 3.956 50 30 CHEARN CCS/C(=N/Nc1cccc(Cl)c1C)C(C)=O ZINC000000276428 567823595 /nfs/dbraw/zinc/82/35/95/567823595.db2.gz BMHSUNCGYVZUHQ-NTCAYCPXSA-N 0 0 270.785 3.716 50 30 CHEARN Cc1ccc(NC(=S)N/N=C/c2ccccc2C)cc1 ZINC000000297559 567824285 /nfs/dbraw/zinc/82/42/85/567824285.db2.gz FLYCNFKRXZMVJA-GZTJUZNOSA-N 0 0 283.400 3.624 50 30 CHEARN COc1ccc(C(=O)C=CNc2ccccc2)cc1OC ZINC000000352409 567826311 /nfs/dbraw/zinc/82/63/11/567826311.db2.gz BMKNFTBFLZBNGJ-ZHACJKMWSA-N 0 0 283.327 3.512 50 30 CHEARN Cc1ccc(NN=C(C#N)C(=O)c2ccc(Cl)cc2)cc1 ZINC000000353289 567826407 /nfs/dbraw/zinc/82/64/07/567826407.db2.gz HATIVMPEIAFSQF-HKWRFOASSA-N 0 0 297.745 3.823 50 30 CHEARN COc1ccc(C(=O)C=CNc2ccccc2F)cc1 ZINC000000449467 567830536 /nfs/dbraw/zinc/83/05/36/567830536.db2.gz GVCPVGXMLIVNPH-ZHACJKMWSA-N 0 0 271.291 3.643 50 30 CHEARN COc1ccc(C(=O)C=CNc2ccc(N(C)C)cc2)cc1 ZINC000000463170 567831694 /nfs/dbraw/zinc/83/16/94/567831694.db2.gz VOZHUNIPUIQYDR-OUKQBFOZSA-N 0 0 296.370 3.570 50 30 CHEARN Cc1ccsc1/C=N/c1cc([N+](=O)[O-])ccc1F ZINC000000566775 567833765 /nfs/dbraw/zinc/83/37/65/567833765.db2.gz DVBINGIREIYGMK-VGOFMYFVSA-N 0 0 264.281 3.854 50 30 CHEARN O=C1C=C2c3ccccc3C[C@@H]2[C@H](c2ccccc2)C1 ZINC000001017371 567835881 /nfs/dbraw/zinc/83/58/81/567835881.db2.gz RWUGLYBNPDTXKJ-ZWKOTPCHSA-N 0 0 260.336 3.999 50 30 CHEARN N#C[C@@H](c1ccccn1)c1ncc(C(F)(F)F)cc1Cl ZINC000001385462 567836814 /nfs/dbraw/zinc/83/68/14/567836814.db2.gz NHLFYQDLTPJOFM-VIFPVBQESA-N 0 0 297.667 3.804 50 30 CHEARN N#Cc1cccc(COC(=O)c2csc3c2CCCC3)c1 ZINC000010534048 567837255 /nfs/dbraw/zinc/83/72/55/567837255.db2.gz PNTONJZBNRNWDW-UHFFFAOYSA-N 0 0 297.379 3.856 50 30 CHEARN Oc1ccccc1/C=N/c1cccc(Br)c1 ZINC000002163584 567844809 /nfs/dbraw/zinc/84/48/09/567844809.db2.gz WZMRGZLLMIKMQL-OQLLNIDSSA-N 0 0 276.133 3.905 50 30 CHEARN N#CCc1cc(C(F)(F)F)ccc1Br ZINC000002541335 567847866 /nfs/dbraw/zinc/84/78/66/567847866.db2.gz BUPMKGVGKPGMOB-UHFFFAOYSA-N 0 0 264.044 3.534 50 30 CHEARN N#CCc1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000002569909 567848335 /nfs/dbraw/zinc/84/83/35/567848335.db2.gz PMNBXHKKVPKJER-UHFFFAOYSA-N 0 0 253.145 3.790 50 30 CHEARN Cc1nn(CCC#N)c(C)c1Oc1ccc(Cl)cc1 ZINC000003046152 567851325 /nfs/dbraw/zinc/85/13/25/567851325.db2.gz WGYNLKCTTAZNMV-UHFFFAOYSA-N 0 0 275.739 3.859 50 30 CHEARN CC(=O)/C(=C/c1ccccc1)Oc1ccc(C#N)cc1 ZINC000003116988 567851643 /nfs/dbraw/zinc/85/16/43/567851643.db2.gz IKIXSQVRFRUWLQ-BOPFTXTBSA-N 0 0 263.296 3.567 50 30 CHEARN COc1ccc(/C=C/C(C)=N/OC(=O)c2ccccc2)cc1 ZINC000034929156 567852861 /nfs/dbraw/zinc/85/28/61/567852861.db2.gz SVVCCFYIZSZAFV-ZMYBKAFPSA-N 0 0 295.338 3.941 50 30 CHEARN O=C(/C=C/c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000003898856 567854109 /nfs/dbraw/zinc/85/41/09/567854109.db2.gz YMQIOFDMELMTTG-XCVCLJGOSA-N 0 0 271.247 3.630 50 30 CHEARN CC(=O)/C=C/c1ccc(OCc2ccc(Cl)nc2)cc1 ZINC000004089533 567855084 /nfs/dbraw/zinc/85/50/84/567855084.db2.gz SGJHBDQRMPPIRN-NSCUHMNNSA-N 0 0 287.746 3.916 50 30 CHEARN S=C(N/N=C/c1ccccc1)Nc1cccc(Cl)c1 ZINC000004360398 567857033 /nfs/dbraw/zinc/85/70/33/567857033.db2.gz TUKNDEBVMFELDU-MHWRWJLKSA-N 0 0 289.791 3.661 50 30 CHEARN COc1ccc(C(=O)/C=C\c2ccc(N3N=N3)cc2)cc1 ZINC000004532213 567857998 /nfs/dbraw/zinc/85/79/98/567857998.db2.gz RKJYOHXKHUNKNA-WCIBSUBMSA-N 0 0 279.299 3.694 50 30 CHEARN CCOc1ccc(C(=O)/C=C/c2ccccc2)cc1 ZINC000004539019 567858331 /nfs/dbraw/zinc/85/83/31/567858331.db2.gz RFEBZPOCGLTDQH-MDWZMJQESA-N 0 0 252.313 3.981 50 30 CHEARN CCc1ccc(/C=C\C(=O)c2ccccc(NC)c2=O)cc1 ZINC000097474736 567861015 /nfs/dbraw/zinc/86/10/15/567861015.db2.gz YTTZEMIZKISWCH-SEYXRHQNSA-N 0 0 293.366 3.547 50 30 CHEARN CCCCCOc1ccc(/C=C2/C(=O)ON=C2C)cc1 ZINC000004321012 567861310 /nfs/dbraw/zinc/86/13/10/567861310.db2.gz RKNZKLVITBLWRY-RVDMUPIBSA-N 0 0 273.332 3.572 50 30 CHEARN O=C1/C(=C\c2ccc(Cl)c(Cl)c2)N2CCC1CC2 ZINC000012340230 567862637 /nfs/dbraw/zinc/86/26/37/567862637.db2.gz BBPIJAHKBWZYBU-MDWZMJQESA-N 0 0 282.170 3.629 50 30 CHEARN Cc1ccc(C(=O)O/N=C2/C=C(C(C)C)C(=O)C=C2C)cc1 ZINC000012447637 567863551 /nfs/dbraw/zinc/86/35/51/567863551.db2.gz QJDHTGOJTXHYEL-MNDPQUGUSA-N 0 0 297.354 3.619 50 30 biogenic CHEARN COc1cccc(C(=O)C=CNc2cc(C)ccc2O)c1 ZINC000013755411 567867423 /nfs/dbraw/zinc/86/74/23/567867423.db2.gz KACTVXHQTLEWGD-CMDGGOBGSA-N 0 0 283.327 3.518 50 30 CHEARN N#Cc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1Cl ZINC000004524580 567869036 /nfs/dbraw/zinc/86/90/36/567869036.db2.gz RNQZJZGVFTZVDW-UHFFFAOYSA-N 0 0 297.956 3.520 50 30 CHEARN COc1cc(SC)ccc1C(=O)Nc1ccc(C#N)cc1 ZINC000004524531 567869038 /nfs/dbraw/zinc/86/90/38/567869038.db2.gz JTHKQDMGLZEOFC-UHFFFAOYSA-N 0 0 298.367 3.541 50 30 CHEARN C(=C/c1ccccc1)\C=N/N1CCN(c2ccccc2)CC1 ZINC000015685285 567870977 /nfs/dbraw/zinc/87/09/77/567870977.db2.gz DRZKQZGSCHQABC-WAYKPHQQSA-N 0 0 291.398 3.508 50 30 CHEARN COc1ccc(C(C)=NNc2ccccc2)c(OC)c1 ZINC000004579341 567871951 /nfs/dbraw/zinc/87/19/51/567871951.db2.gz CDRSYGYIRWBMHG-SFQUDFHCSA-N 0 0 270.332 3.540 50 30 CHEARN C/C(CCc1ccccc1)=N\NC(=S)Nc1ccccc1 ZINC000016137160 567872343 /nfs/dbraw/zinc/87/23/43/567872343.db2.gz OCYWOSRNCJDFEL-XMHGGMMESA-N 0 0 297.427 3.982 50 30 CHEARN Clc1ccccc1/C=N/C[C@H]1COc2ccccc2O1 ZINC000018085333 567876602 /nfs/dbraw/zinc/87/66/02/567876602.db2.gz MRCAECHJWCINNN-VVSAQIQQSA-N 0 0 287.746 3.599 50 30 CHEARN N#CCSc1ncnc2sc3c(c21)CCCCC3 ZINC000019796903 567879017 /nfs/dbraw/zinc/87/90/17/567879017.db2.gz XHIPCPWGDHQZFR-UHFFFAOYSA-N 0 0 275.402 3.576 50 30 CHEARN Cc1ccc(/C=C2\Sc3nc(C)cc(C)c3C2=O)o1 ZINC000019797202 567879021 /nfs/dbraw/zinc/87/90/21/567879021.db2.gz KXWBZACJTRUCSK-GHXNOFRVSA-N 0 0 271.341 3.929 50 30 CHEARN N#C[C@H](c1c[nH]c2ccccc21)N1CCCCCC1 ZINC000019772678 567879027 /nfs/dbraw/zinc/87/90/27/567879027.db2.gz URYIMUUOQGIFBH-MRXNPFEDSA-N 0 0 253.349 3.609 50 30 CHEARN O=C1C=C(Nc2ccccc2O)C[C@@H](c2ccccc2)C1 ZINC000000580421 567887959 /nfs/dbraw/zinc/88/79/59/567887959.db2.gz BMRPVNKWXFHBRM-CQSZACIVSA-N 0 0 279.339 3.835 50 30 CHEARN CCS[C@H](C)C[C@H]1Cc2onc(CC)c2/C(=N\O)C1 ZINC000096243517 567888746 /nfs/dbraw/zinc/88/87/46/567888746.db2.gz KQTKQKSKKRBLDB-HDNPNFOBSA-N 0 0 282.409 3.509 50 30 CHEARN O=C(/C=C/c1cccc2nccnc12)c1ccc(F)cc1 ZINC000072314700 567893137 /nfs/dbraw/zinc/89/31/37/567893137.db2.gz ZQKYHVIIRALBCO-RMKNXTFCSA-N 0 0 278.286 3.665 50 30 CHEARN N#CCCSc1nc2cc(Cl)ccc2n1CCC#N ZINC000058156499 567895605 /nfs/dbraw/zinc/89/56/05/567895605.db2.gz PPXMXGKFIRDWCO-UHFFFAOYSA-N 0 0 290.779 3.609 50 30 CHEARN CCCCCCCC(=O)Nc1cc(N)ccc1F ZINC000059082179 567896393 /nfs/dbraw/zinc/89/63/93/567896393.db2.gz YDVUYRNEZJEGCV-UHFFFAOYSA-N 0 0 252.333 3.707 50 30 CHEARN CC(=O)c1ccc(C#CCOC(=O)Nc2ccccc2)s1 ZINC000003137745 567896629 /nfs/dbraw/zinc/89/66/29/567896629.db2.gz WDZUJCZWQSXKQR-UHFFFAOYSA-N 0 0 299.351 3.551 50 30 CHEARN CC(C)n1cc(C(=O)/C=C/N(C)C)c2cc(Cl)ncc21 ZINC000072319664 567902553 /nfs/dbraw/zinc/90/25/53/567902553.db2.gz JWMWYICOIUDZTP-AATRIKPKSA-N 0 0 291.782 3.529 50 30 CHEARN N#Cc1csc(CNc2nnc(C3CCCCC3)o2)c1 ZINC000097045386 567903791 /nfs/dbraw/zinc/90/37/91/567903791.db2.gz KGRLQYVEUBFVDT-UHFFFAOYSA-N 0 0 288.376 3.663 50 30 CHEARN O=C(/C=C1\C(=O)Nc2ccccc21)c1ccc(Cl)cc1 ZINC000000033956 567904736 /nfs/dbraw/zinc/90/47/36/567904736.db2.gz XGBNPLHPMFBPJP-LCYFTJDESA-N 0 0 283.714 3.558 50 30 CHEARN C#Cc1cccc(NCc2c(C)nn(CCC)c2C)c1 ZINC000097146809 567904794 /nfs/dbraw/zinc/90/47/94/567904794.db2.gz DXQJNTFMDWSMOV-UHFFFAOYSA-N 0 0 267.376 3.503 50 30 CHEARN C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000023081475 567905516 /nfs/dbraw/zinc/90/55/16/567905516.db2.gz GYVGOVFTWYJOQO-ZDUSSCGKSA-N 0 0 299.345 3.882 50 30 CHEARN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1O ZINC000000062634 567906698 /nfs/dbraw/zinc/90/66/98/567906698.db2.gz DZERVNWKZUFQDJ-LICLKQGHSA-N 0 0 255.317 3.768 50 30 CHEARN N#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000247644639 567908568 /nfs/dbraw/zinc/90/85/68/567908568.db2.gz JPXIORIYKBSQLA-BHYGNILZSA-N 0 0 282.387 3.647 50 30 CHEARN O=C(O/N=C\c1cc(Cl)nc(Cl)c1)c1ccccc1 ZINC000033376849 567910376 /nfs/dbraw/zinc/91/03/76/567910376.db2.gz YFCFHXCAFCBTLM-PXNMLYILSA-N 0 0 295.125 3.579 50 30 CHEARN FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100029236 567911865 /nfs/dbraw/zinc/91/18/65/567911865.db2.gz WXFBZGUXZMEPIR-UHFFFAOYSA-N 0 0 270.041 3.720 50 30 CHEARN CC1(C)CC(=O)C=C(C=CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000100098517 567912071 /nfs/dbraw/zinc/91/20/71/567912071.db2.gz YLKKSOCYKNGOHD-BQYQJAHWSA-N 0 0 286.331 3.836 50 30 CHEARN CCCCCCCC(=O)NCCOc1ccccc1 ZINC000100281316 567912629 /nfs/dbraw/zinc/91/26/29/567912629.db2.gz BTGZYHCYVMWEKU-UHFFFAOYSA-N 0 0 263.381 3.542 50 30 CHEARN COc1ccc(Sc2ccccc2/C=N/O)cc1 ZINC000103607714 567915537 /nfs/dbraw/zinc/91/55/37/567915537.db2.gz GNLVPNPQQFHRPY-XNTDXEJSSA-N 0 0 259.330 3.655 50 30 CHEARN O=C1CC(=O)CC(c2ccccc2C(F)(F)F)C1 ZINC000103566407 567915578 /nfs/dbraw/zinc/91/55/78/567915578.db2.gz RKKIMQUARSSVSM-MRVPVSSYSA-N 0 0 256.223 3.594 50 30 CHEARN N#Cc1ccsc1NC(=O)c1ccccc1C(F)(F)F ZINC000014626641 567922997 /nfs/dbraw/zinc/92/29/97/567922997.db2.gz RNUXENCASSHBAA-UHFFFAOYSA-N 0 0 296.273 3.891 50 30 CHEARN O=C1c2ccccc2S/C1=C\c1ccc(O)cc1 ZINC000000182371 567924639 /nfs/dbraw/zinc/92/46/39/567924639.db2.gz BHYUBYSOQLBDOH-ZROIWOOFSA-N 0 0 254.310 3.722 50 30 CHEARN C[C@H]1CCCN(CC(=O)Nc2nc3ccccc3s2)C1 ZINC000050097571 567925056 /nfs/dbraw/zinc/92/50/56/567925056.db2.gz XMOAPXCJWGXCKX-NSHDSACASA-N 0 0 289.404 3.616 50 30 CHEARN C=CCn1c2ccccc2nc1COc1ccc(OC)cc1 ZINC000000118460 567925406 /nfs/dbraw/zinc/92/54/06/567925406.db2.gz RUKCXNSKNMUKPN-UHFFFAOYSA-N 0 0 294.354 3.810 50 30 CHEARN COc1ccc(O)c(/C=N/c2cccc(Cl)c2)c1 ZINC000000259919 567925724 /nfs/dbraw/zinc/92/57/24/567925724.db2.gz GEEAUUHDBPGLIV-CXUHLZMHSA-N 0 0 261.708 3.805 50 30 CHEARN Cc1ccc(C(=O)C=CNc2ccccc2O)cc1 ZINC000100763280 567928580 /nfs/dbraw/zinc/92/85/80/567928580.db2.gz VMWLDTROZUFXDI-KHPPLWFESA-N 0 0 253.301 3.509 50 30 CHEARN Cc1cccc(-c2nnc(S[C@H](C)CCC#N)n2C)c1 ZINC000252507975 567930284 /nfs/dbraw/zinc/93/02/84/567930284.db2.gz WZDWAZIGQYCFEJ-GFCCVEGCSA-N 0 0 286.404 3.575 50 30 CHEARN Cc1ccc(C(=O)Nc2ccc3[nH]cc(C#N)c3c2)cc1 ZINC000000114711 567934714 /nfs/dbraw/zinc/93/47/14/567934714.db2.gz LTCKNRDJSHEYEY-UHFFFAOYSA-N 0 0 275.311 3.600 50 30 CHEARN CCCCCC1COC(c2ccc(C#N)cc2)OC1 ZINC000002565420 567938346 /nfs/dbraw/zinc/93/83/46/567938346.db2.gz SSXIKUCDZOQOKB-UHFFFAOYSA-N 0 0 259.349 3.800 50 30 CHEARN N#CCCN(C(=O)Nc1ccccc1)c1ccccc1 ZINC000001569028 567937322 /nfs/dbraw/zinc/93/73/22/567937322.db2.gz OPNCHZPQWWKHEM-UHFFFAOYSA-N 0 0 265.316 3.639 50 30 CHEARN C/C(=C\c1cccc(OCCCC#N)c1)c1cnccn1 ZINC000187648599 567938095 /nfs/dbraw/zinc/93/80/95/567938095.db2.gz IXAXMBSAKNPODE-SDNWHVSQSA-N 0 0 279.343 3.720 50 30 CHEARN Cc1ccc(N2C(=O)CC[C@@]2(C#N)c2ccccc2)cc1 ZINC000000550206 567942939 /nfs/dbraw/zinc/94/29/39/567942939.db2.gz XFHZHMCQRMNDPT-GOSISDBHSA-N 0 0 276.339 3.541 50 30 CHEARN N#Cc1ccc(NCCNc2cccc3ccccc32)nc1 ZINC000024528713 567943058 /nfs/dbraw/zinc/94/30/58/567943058.db2.gz SZHNCHWFELMFDP-UHFFFAOYSA-N 0 0 288.354 3.630 50 30 CHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)C(C)(C)C)sc2C1 ZINC000000570348 567943432 /nfs/dbraw/zinc/94/34/32/567943432.db2.gz YCKHYXLLWWZYJB-SECBINFHSA-N 0 0 276.405 3.729 50 30 CHEARN COc1cc(/C=C/C(=O)c2cccnc2)ccc1SC ZINC000049487592 567946710 /nfs/dbraw/zinc/94/67/10/567946710.db2.gz GQNWCRNVDHSTPB-FNORWQNLSA-N 0 0 285.368 3.708 50 30 CHEARN COc1cccc([C@@H](C#N)[C@@H](C#N)c2ccccc2)c1OC ZINC000025758867 570231402 /nfs/dbraw/zinc/23/14/02/570231402.db2.gz YBHXSYSKNJRBNJ-JKSUJKDBSA-N 0 0 292.338 3.618 50 30 CHEARN C=CCN(Cc1ccc(C)s1)Cc1cccnc1 ZINC000055385474 570242956 /nfs/dbraw/zinc/24/29/56/570242956.db2.gz PEOIVXXRFHDPFD-UHFFFAOYSA-N 0 0 258.390 3.640 50 30 CHEARN Cc1sc2ncnc(N=NCc3ccccc3)c2c1C ZINC000004680393 570248568 /nfs/dbraw/zinc/24/85/68/570248568.db2.gz MLUQHKPSGRJTIM-QGMBQPNBSA-N 0 0 282.372 3.754 50 30 CHEARN Cc1ccc(NC(=O)/C=N/C(=O)Nc2ccc(C)cc2)cc1 ZINC000000225120 570264546 /nfs/dbraw/zinc/26/45/46/570264546.db2.gz GHXKXSCPHLGQCQ-WOJGMQOQSA-N 0 0 295.342 3.545 50 30 CHEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C#N ZINC000000075542 570273144 /nfs/dbraw/zinc/27/31/44/570273144.db2.gz BGAZAVHIYJQMRP-UHFFFAOYSA-N 0 0 253.088 3.829 50 30 CHEARN CCCCCCCCCC[C@@H]1C[C@@H]2C[C@H](O)O[C@@H]2O1 ZINC000106524217 570292411 /nfs/dbraw/zinc/29/24/11/570292411.db2.gz JBVBWQPXSQZSQR-FPCVCCKLSA-N 0 0 270.413 3.987 50 30 CHEARN O=C(/C=C/c1csc(-c2ncccn2)n1)C1CCCCC1 ZINC000048325503 570297136 /nfs/dbraw/zinc/29/71/36/570297136.db2.gz WABXAVFPKBMDJK-BQYQJAHWSA-N 0 0 299.399 3.763 50 30 CHEARN C=CCOCCOc1ccc(OCc2ccccc2)cc1 ZINC000113565767 570299913 /nfs/dbraw/zinc/29/99/13/570299913.db2.gz FWXOWRYTIJQKGL-UHFFFAOYSA-N 0 0 284.355 3.847 50 30 CHEARN Cn1cc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)cn1 ZINC000049151433 570299976 /nfs/dbraw/zinc/29/99/76/570299976.db2.gz KZXBWHCIXNHFCR-JXMROGBWSA-N 0 0 268.360 3.614 50 30 CHEARN C=CCNC(=S)NCc1cccc(Oc2ccccc2)c1 ZINC000002812300 570302889 /nfs/dbraw/zinc/30/28/89/570302889.db2.gz RUDGZDSBSFICDN-UHFFFAOYSA-N 0 0 298.411 3.629 50 30 CHEARN C[C@]12CCC[C@@H]1[C@@H]1CCC3=CC(=O)CC[C@@]3(C)[C@H]1[C@H](O)C2 ZINC000257345667 570324386 /nfs/dbraw/zinc/32/43/86/570324386.db2.gz FQGSVKQDUSIVGQ-DOQFWFFUSA-N 0 0 288.431 3.879 50 30 CHEARN C=C(Br)CCc1cc(OC)cc(OC)c1 ZINC000043208808 570331063 /nfs/dbraw/zinc/33/10/63/570331063.db2.gz NMJOAAUBDNOPBD-UHFFFAOYSA-N 0 0 271.154 3.545 50 30 CHEARN C=CCn1cnc(-c2ccccc2)c1-c1ccncc1 ZINC000063869816 570335003 /nfs/dbraw/zinc/33/50/03/570335003.db2.gz QIOUNUOPACVLGF-UHFFFAOYSA-N 0 0 261.328 3.798 50 30 CHEARN C=C(C)COc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000012138002 570339346 /nfs/dbraw/zinc/33/93/46/570339346.db2.gz BWSGLKORRQOFFP-UHFFFAOYSA-N 0 0 281.355 3.572 50 30 CHEARN C=CCOc1cccc(NC(=O)c2ccc(F)cc2F)c1 ZINC000012137870 570339413 /nfs/dbraw/zinc/33/94/13/570339413.db2.gz QDYXXNNPZYBMGU-UHFFFAOYSA-N 0 0 289.281 3.782 50 30 CHEARN C=CCOc1ccc(C(=O)N(C)C2CCCCC2)cc1 ZINC000012137617 570339455 /nfs/dbraw/zinc/33/94/55/570339455.db2.gz GADVXIXTLDMWSV-UHFFFAOYSA-N 0 0 273.376 3.656 50 30 CHEARN Cc1ccccc1C(=O)n1cc(C#N)c2ccccc21 ZINC000049848287 570348734 /nfs/dbraw/zinc/34/87/34/570348734.db2.gz DUOVRZTVKOLOEW-UHFFFAOYSA-N 0 0 260.296 3.510 50 30 CHEARN [O-]c1ccc(O)cc1[S+]1CCC(c2ccccc2)CC1 ZINC000022590636 570358593 /nfs/dbraw/zinc/35/85/93/570358593.db2.gz BUTIRTFIZUCTAM-UHFFFAOYSA-O 0 0 287.404 3.653 50 30 CHEARN N#Cc1cccc(OCc2coc(-c3ccccc3)n2)c1 ZINC000036650007 570361525 /nfs/dbraw/zinc/36/15/25/570361525.db2.gz AYGZQCRBKXLXGT-UHFFFAOYSA-N 0 0 276.295 3.792 50 30 CHEARN COc1ccc(C(=O)C=CNc2ccc(F)c(F)c2)cc1 ZINC000000476067 570369571 /nfs/dbraw/zinc/36/95/71/570369571.db2.gz XDWYUWZATNQRAP-CMDGGOBGSA-N 0 0 289.281 3.782 50 30 CHEARN Cc1cnc(CSc2ccc(C#N)cc2Cl)o1 ZINC000095437151 570371851 /nfs/dbraw/zinc/37/18/51/570371851.db2.gz JQLZFSRJVDLRNY-UHFFFAOYSA-N 0 0 264.737 3.800 50 30 CHEARN CSc1ccc([C@H](C)NC(=O)c2cccc(C#N)c2)cc1 ZINC000027159882 570373588 /nfs/dbraw/zinc/37/35/88/570373588.db2.gz XGBOIVCVIRWUHY-LBPRGKRZSA-N 0 0 296.395 3.771 50 30 CHEARN Cc1ccc(N=Cc2c(O)ccc3ccccc32)nc1 ZINC000252631126 570376453 /nfs/dbraw/zinc/37/64/53/570376453.db2.gz VIKWCECQLQVWHC-UHFFFAOYSA-N 0 0 262.312 3.999 50 30 CHEARN N#CC(=NNc1ccccc1)C(=O)c1ccc(Cl)cc1 ZINC000252642273 570377876 /nfs/dbraw/zinc/37/78/76/570377876.db2.gz ZKLSGTDLUKMBTP-UHFFFAOYSA-N 0 0 283.718 3.514 50 30 CHEARN COc1cccc(/C=C2\Cc3ccccc3C2=O)c1 ZINC000000084732 570382519 /nfs/dbraw/zinc/38/25/19/570382519.db2.gz JBFBIBIFVKXKDA-NTEUORMPSA-N 0 0 250.297 3.518 50 30 CHEARN N#Cc1ccc(N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)nc1 ZINC000253398108 570385053 /nfs/dbraw/zinc/38/50/53/570385053.db2.gz LKOWEGPIIZOTHJ-GFCCVEGCSA-N 0 0 295.308 3.512 50 30 CHEARN N#Cc1ccc(N2CC[C@H](C(F)(F)F)C3(CCC3)C2)nc1 ZINC000253398109 570385106 /nfs/dbraw/zinc/38/51/06/570385106.db2.gz LKOWEGPIIZOTHJ-LBPRGKRZSA-N 0 0 295.308 3.512 50 30 CHEARN N#Cc1cc2c(nc1SCc1cccnc1)CCCCC2 ZINC000000377316 570387913 /nfs/dbraw/zinc/38/79/13/570387913.db2.gz NHDULFCCABKQLW-UHFFFAOYSA-N 0 0 295.411 3.909 50 30 CHEARN C[C@H](C#N)Sc1nn(-c2ccccc2)c(=S)s1 ZINC000002639947 570397635 /nfs/dbraw/zinc/39/76/35/570397635.db2.gz MYYGJTJFLVZXAD-MRVPVSSYSA-N 0 0 279.415 3.667 50 30 CHEARN Cc1ccc(N[C@H](C)C(=O)Nc2sccc2C#N)c(C)c1 ZINC000028744476 570398349 /nfs/dbraw/zinc/39/83/49/570398349.db2.gz XLYSGLRMZGZWAU-GFCCVEGCSA-N 0 0 299.399 3.676 50 30 CHEARN CCOc1ccc([C@H]2CCCN2c2ccc(C#N)cn2)cc1 ZINC000012796688 1125495190 /nfs/dbraw/zinc/49/51/90/1125495190.db2.gz CJCHVUQLRHLUDR-QGZVFWFLSA-N 0 0 293.370 3.693 50 30 CHEARN C=CCN(CC=C)C(=O)Cc1c(Cl)cccc1Cl ZINC000047465471 1122207688 /nfs/dbraw/zinc/20/76/88/1122207688.db2.gz LNBHKUWLCGQBKL-UHFFFAOYSA-N 0 0 284.186 3.737 50 30 CHEARN N#Cc1c(N)nc(-c2ccc(O)cc2)cc1-c1ccccc1 ZINC000013126601 1126754963 /nfs/dbraw/zinc/75/49/63/1126754963.db2.gz VVFRJCXNTHXSOG-UHFFFAOYSA-N 0 0 287.322 3.575 50 30 CHEARN N#Cc1cnccc1/C=C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349105131 1127147887 /nfs/dbraw/zinc/14/78/87/1127147887.db2.gz FTNLRLDZHVAVNN-KQBQUPHGSA-N 0 0 277.283 3.588 50 30 CHEARN O=C(/C=C\c1cccc(Br)c1)c1ccco1 ZINC000254941661 1127166214 /nfs/dbraw/zinc/16/62/14/1127166214.db2.gz ALEXOHUGRROEJA-SREVYHEPSA-N 0 0 277.117 3.938 50 30 CHEARN C=CCCC(=O)NC[C@@H](c1ccsc1)c1ccco1 ZINC000667647558 1127449251 /nfs/dbraw/zinc/44/92/51/1127449251.db2.gz FKQQMPIZUITMPE-ZDUSSCGKSA-N 0 0 275.373 3.555 50 30 CHEARN O=[N+]([O-])c1cccc(N=NC2CCCc3ccccc32)c1 ZINC000005754186 1127479106 /nfs/dbraw/zinc/47/91/06/1127479106.db2.gz IAYQGXMDGFFLGJ-UHFFFAOYSA-N 0 0 281.315 3.747 50 30 CHEARN C/C(=C/c1cccc(OCCCC#N)c1)c1cnccn1 ZINC000126546339 1127547129 /nfs/dbraw/zinc/54/71/29/1127547129.db2.gz IXAXMBSAKNPODE-KAMYIIQDSA-N 0 0 279.343 3.720 50 30 CHEARN O=C1c2cccc(O)c2C/C1=C/c1ccc(Cl)cc1 ZINC000011335862 1127779451 /nfs/dbraw/zinc/77/94/51/1127779451.db2.gz HQPGYYFEXMQWST-FLIBITNWSA-N 0 0 270.715 3.868 50 30 CHEARN O=C(/C=C/c1ccsc1)c1ccc2c(c1)CCO2 ZINC000013007044 1127948128 /nfs/dbraw/zinc/94/81/28/1127948128.db2.gz DEXGNOHILFGYTF-HNQUOIGGSA-N 0 0 256.326 3.579 50 30 CHEARN COc1ccc(/C=C/C(=O)/C=C\c2ccc(OC)cc2)cc1 ZINC000017156357 1128061680 /nfs/dbraw/zinc/06/16/80/1128061680.db2.gz IOZVKDXPBWBUKY-INWPEIIHSA-N 0 0 294.350 4.000 50 30 CHEARN C=CCNC(=O)/C(=C\c1cccc(C)c1)c1cccs1 ZINC000032906782 1128407166 /nfs/dbraw/zinc/40/71/66/1128407166.db2.gz MALKMCYHDLYOPN-QINSGFPZSA-N 0 0 283.396 3.899 50 30 CHEARN O=C(/C=C\C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000033682459 1128588045 /nfs/dbraw/zinc/58/80/45/1128588045.db2.gz DFDBGMHKVAGJAI-KHPPLWFESA-N 0 0 270.715 3.962 50 30 CHEARN COc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=NN)[C@]3(C)CC[C@H]21 ZINC000254912256 1117878798 /nfs/dbraw/zinc/87/87/98/1117878798.db2.gz SOXXAISJFSZAOS-VXIBKDFQSA-N 0 0 298.430 3.866 50 30 CHEARN Cc1oc2cc(C#N)c(C#N)cc2c1[C@@H](O)c1cccs1 ZINC000066087647 1128760401 /nfs/dbraw/zinc/76/04/01/1128760401.db2.gz OAAVAXZITWGYMD-INIZCTEOSA-N 0 0 294.335 3.628 50 30 CHEARN CN(CC#N)C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000060294503 1118293553 /nfs/dbraw/zinc/29/35/53/1118293553.db2.gz UOQGPBVNCFPJJJ-MRXNPFEDSA-N 0 0 296.395 3.502 50 30 CHEARN N#CCCCOc1cccc(/C=C/C(=O)c2nccs2)c1 ZINC000078989230 1118572211 /nfs/dbraw/zinc/57/22/11/1118572211.db2.gz WWCLIDRJOHZFAV-VOTSOKGWSA-N 0 0 298.367 3.722 50 30 CHEARN CN/N=C1\CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000240067790 1128880778 /nfs/dbraw/zinc/88/07/78/1128880778.db2.gz SBVFQTNRIXLYNI-MTNOOBJLSA-N 0 0 298.430 3.824 50 30 CHEARN CC(=O)c1cc(C#N)c(SCCC(C)C)nc1C ZINC000000612796 1120190537 /nfs/dbraw/zinc/19/05/37/1120190537.db2.gz PEHZIMXGJRCCQT-UHFFFAOYSA-N 0 0 262.378 3.603 50 30 CHEARN CCCNC(=S)N1CCC(Cc2ccccc2)CC1 ZINC000013827929 1120236655 /nfs/dbraw/zinc/23/66/55/1120236655.db2.gz ONTIOBQBCMJYFN-UHFFFAOYSA-N 0 0 276.449 3.637 50 30 CHEARN C=C(C)CSc1n[nH]c(C=Cc2ccc(F)cc2)n1 ZINC000014158955 1120314312 /nfs/dbraw/zinc/31/43/12/1120314312.db2.gz IKDOMHGUBZCYCV-VMPITWQZSA-N 0 0 275.352 3.782 50 30 CHEARN O=C1c2cc(F)ccc2OCC/C1=C\c1ccccc1 ZINC000024978178 1120528515 /nfs/dbraw/zinc/52/85/15/1120528515.db2.gz UWNTZLNMXMELFW-JLHYYAGUSA-N 0 0 268.287 3.875 50 30 CHEARN O=C(Cc1nc2ccccc2sc1=O)c1ccc(F)cc1 ZINC000107953140 1120734706 /nfs/dbraw/zinc/73/47/06/1120734706.db2.gz KWYQANYRFFMVER-LCYFTJDESA-N 0 0 299.326 3.637 50 30 CHEARN C=CCCCC(=O)Nc1nc2ccc(OCC)cc2s1 ZINC000005953749 1121002168 /nfs/dbraw/zinc/00/21/68/1121002168.db2.gz MGUGXZPRYXPQDD-UHFFFAOYSA-N 0 0 290.388 3.990 50 30 CHEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@H]2O ZINC000242649038 1121424398 /nfs/dbraw/zinc/42/43/98/1121424398.db2.gz RSIHSRDYCUFFLA-VWQYPGANSA-N 0 0 286.415 3.655 50 30 CHEARN COc1cccc(C=NNc2ccc(Cl)cc2)c1 ZINC000606346816 1121665396 /nfs/dbraw/zinc/66/53/96/1121665396.db2.gz BKRXCFLVOMVQIX-UHFFFAOYSA-N 0 0 260.724 3.795 50 30 CHEARN Cc1nn(C)cc1C(=O)/C=C\c1ccccc1C(F)(F)F ZINC000047380216 1121681969 /nfs/dbraw/zinc/68/19/69/1121681969.db2.gz INXWVUZSOAMNSV-FPLPWBNLSA-N 0 0 294.276 3.643 50 30 CHEARN CC(C)C(Cl)=NOC(=O)Nc1ccccc1F ZINC000073332903 1121728108 /nfs/dbraw/zinc/72/81/08/1121728108.db2.gz YCDALHLZEUKJJQ-XNTDXEJSSA-N 0 0 258.680 3.583 50 30 CHEARN CCCC(Cl)=NOC(=O)Nc1ccc(F)cc1 ZINC000073370915 1121728468 /nfs/dbraw/zinc/72/84/68/1121728468.db2.gz OQUACCLBOWIBQX-XNTDXEJSSA-N 0 0 258.680 3.727 50 30 CHEARN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1Cl ZINC000620316758 1125227100 /nfs/dbraw/zinc/22/71/00/1125227100.db2.gz HFTRQHJPQWZGDO-TXEJJXNPSA-N 0 0 261.752 3.663 50 30 CHEARN Cc1nc(C)c(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)s1 ZINC000102851995 1125307025 /nfs/dbraw/zinc/30/70/25/1125307025.db2.gz DKGXGOQIXVMMEL-YVMONPNESA-N 0 0 288.328 3.564 50 30 CHEARN N#Cc1c(=S)[nH]nc(-c2ccccc2)c1-c1ccccc1 ZINC000000068675 1125418142 /nfs/dbraw/zinc/41/81/42/1125418142.db2.gz MEKUCDLQIOYTBG-UHFFFAOYSA-N 0 0 289.363 3.971 50 30 CHEARN CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000208400313 1125422369 /nfs/dbraw/zinc/42/23/69/1125422369.db2.gz DCPYXGMLIRLWSP-GQCTYLIASA-N 0 0 296.182 3.876 50 30 CHEARN O=C(/C=C\c1cccc2c1OCO2)c1cccc(Cl)c1 ZINC000097147182 1129585356 /nfs/dbraw/zinc/58/53/56/1129585356.db2.gz YMEANYUHWRSKDX-FPLPWBNLSA-N 0 0 286.714 3.965 50 30 CHEARN CCOc1ccc(C(=O)/C=C\c2ccc(O)c(OC)c2)cc1 ZINC000097993417 1129636078 /nfs/dbraw/zinc/63/60/78/1129636078.db2.gz DVLWZQWKCPDAMB-WMZJFQQLSA-N 0 0 298.338 3.696 50 30 CHEARN Cc1ncsc1/C=C\C(=O)c1c(C)nn(C(C)C)c1C ZINC000098056085 1129643347 /nfs/dbraw/zinc/64/33/47/1129643347.db2.gz QLEFVSNTMIMKPC-SREVYHEPSA-N 0 0 289.404 3.742 50 30 CHEARN CC(=CCc1ccco1)N=Nc1ccc([N+](=O)[O-])cc1 ZINC000254633232 1129702976 /nfs/dbraw/zinc/70/29/76/1129702976.db2.gz YNAXMLAOOUQJLX-VGNFQKFRSA-N 0 0 271.276 3.689 50 30 CHEARN CCOc1ccc(C=NN2[C@H](C)CCC[C@H]2C)cc1 ZINC000254793570 1129710380 /nfs/dbraw/zinc/71/03/80/1129710380.db2.gz RJGVCVSDSYAGKX-ZIAGYGMSSA-N 0 0 260.381 3.682 50 30 CHEARN N#Cc1c(N=Cc2ccco2)sc2c1CCCC2 ZINC000254790384 1129710681 /nfs/dbraw/zinc/71/06/81/1129710681.db2.gz KIKHLWUGBYXMQG-UHFFFAOYSA-N 0 0 256.330 3.842 50 30 CHEARN C=C1CC(c2noc(-c3ccccc3-c3nc(C)no3)n2)C1 ZINC000952876199 1132017360 /nfs/dbraw/zinc/01/73/60/1132017360.db2.gz FNOWFYIWRGASFZ-UHFFFAOYSA-N 0 0 294.314 3.529 50 30 CHEARN O/N=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000100250141 230391767 /nfs/dbraw/zinc/39/17/67/230391767.db2.gz RIXPNWPKNIZOHD-SXGWCWSVSA-N 0 0 261.708 3.727 50 30 CHEARN N#CCCN(CCC#N)Cc1cccc(Cl)c1Cl ZINC000180041720 230395760 /nfs/dbraw/zinc/39/57/60/230395760.db2.gz OUZHALDSFDSRQZ-UHFFFAOYSA-N 0 0 282.174 3.623 50 30 CHEARN N#CCc1ccc(Cl)c(OC(F)F)c1Cl ZINC000263623531 230402110 /nfs/dbraw/zinc/40/21/10/230402110.db2.gz IGOPTOOETCAJSH-UHFFFAOYSA-N 0 0 252.047 3.661 50 30 CHEARN COc1ccc(NC=C2CCc3ccccc3C2=O)cc1 ZINC000095550121 185008643 /nfs/dbraw/zinc/00/86/43/185008643.db2.gz KYOUCUAHDBNJJJ-WYMLVPIESA-N 0 0 279.339 3.820 50 30 CHEARN C=CCN(O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095627586 185016950 /nfs/dbraw/zinc/01/69/50/185016950.db2.gz ZYPQOAGPJVDZNJ-UHFFFAOYSA-N 0 0 295.338 3.813 50 30 CHEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS ZINC000095697022 185018403 /nfs/dbraw/zinc/01/84/03/185018403.db2.gz GQJXVHYUQPXZOL-UHFFFAOYSA-N 0 0 280.155 3.775 50 30 CHEARN CCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000095740368 185024572 /nfs/dbraw/zinc/02/45/72/185024572.db2.gz FBNGMQQIKKKFHC-UHFFFAOYSA-N 0 0 264.325 3.894 50 30 CHEARN O=C(/C=C\c1cccc2nccnc12)c1ccc(F)cc1 ZINC000096035399 185069578 /nfs/dbraw/zinc/06/95/78/185069578.db2.gz ZQKYHVIIRALBCO-TWGQIWQCSA-N 0 0 278.286 3.665 50 30 CHEARN C[C@H](c1ccc(F)cc1)[S@](=O)CCCC(C)(C)C#N ZINC000083079954 178337411 /nfs/dbraw/zinc/33/74/11/178337411.db2.gz FMLVWECCVYWMTD-BLVKFPJESA-N 0 0 281.396 3.965 50 30 CHEARN Cc1cccc2c1OCC/C(=C\c1cccc(O)c1)C2=O ZINC000096988714 185146208 /nfs/dbraw/zinc/14/62/08/185146208.db2.gz XIDGWQCPRUCILS-GXDHUFHOSA-N 0 0 280.323 3.749 50 30 CHEARN N#Cc1cccc(/C=C2/CCOc3ccc(F)cc3C2=O)c1 ZINC000096988710 185146474 /nfs/dbraw/zinc/14/64/74/185146474.db2.gz UKOUMYPTRSHGJC-ZROIWOOFSA-N 0 0 293.297 3.746 50 30 CHEARN COc1ccc2c(c1)C(=O)/C(=C\c1cccc(C)c1)CO2 ZINC000096993448 185149080 /nfs/dbraw/zinc/14/90/80/185149080.db2.gz DNIMPBILJRVAPE-ZROIWOOFSA-N 0 0 280.323 3.662 50 30 CHEARN CCc1ccc(/C=C\C(=O)c2ccc(O)c(OC)c2)cc1 ZINC000096792755 529588615 /nfs/dbraw/zinc/58/86/15/529588615.db2.gz LXYQEPMMBPXJPR-NTMALXAHSA-N 0 0 282.339 3.859 50 30 CHEARN C#CCN(C(=O)c1nccc2ccccc21)C1CCCCC1 ZINC000083812519 178749790 /nfs/dbraw/zinc/74/97/90/178749790.db2.gz NGODMAHMWJXZKS-UHFFFAOYSA-N 0 0 292.382 3.643 50 30 CHEARN Cc1cccc(C)c1NC(=O)/C=C\c1ccc(C#N)cc1 ZINC000098053377 185677529 /nfs/dbraw/zinc/67/75/29/185677529.db2.gz ZLOQLUDUUCJBMM-KHPPLWFESA-N 0 0 276.339 3.827 50 30 CHEARN CC(=O)C(=CNc1ccc(C(C)=O)cc1)c1ccccc1 ZINC000100068187 185704273 /nfs/dbraw/zinc/70/42/73/185704273.db2.gz FLILAHTZTVPBGP-PDGQHHTCSA-N 0 0 279.339 3.931 50 30 CHEARN CCCCCOc1cc(Br)ccc1C#N ZINC000088344947 179580860 /nfs/dbraw/zinc/58/08/60/179580860.db2.gz FGERVAFNJHNURW-UHFFFAOYSA-N 0 0 268.154 3.890 50 30 CHEARN N#Cc1ccc(Br)cc1OCCC(F)(F)F ZINC000123513729 187096197 /nfs/dbraw/zinc/09/61/97/187096197.db2.gz FFRYSMFNCXKWRF-UHFFFAOYSA-N 0 0 294.070 3.652 50 30 CHEARN N#Cc1ccc(-c2cn3cccc(C(F)(F)F)c3n2)cc1 ZINC000258837362 190038573 /nfs/dbraw/zinc/03/85/73/190038573.db2.gz RONGFIJDRONUKQ-UHFFFAOYSA-N 0 0 287.244 3.892 50 30 CHEARN CN(C)c1ccc(/C=C2\Cc3ccccc3C2=O)cc1 ZINC000000084741 169530898 /nfs/dbraw/zinc/53/08/98/169530898.db2.gz YCKZAOPKIOWTEH-RVDMUPIBSA-N 0 0 263.340 3.575 50 30 CHEARN O=C(/C=C/C(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000000085638 169531274 /nfs/dbraw/zinc/53/12/74/169531274.db2.gz OXUZAAMYHTYRBZ-MDZDMXLPSA-N 0 0 272.250 3.587 50 30 CHEARN CC(=O)N1CCc2cc(/N=C/c3ccc(Cl)cc3)ccc21 ZINC000000247899 169586359 /nfs/dbraw/zinc/58/63/59/169586359.db2.gz WJDOMNHDPROTQF-YBFXNURJSA-N 0 0 298.773 4.000 50 30 CHEARN Cc1ccc(C)c(/N=C/c2ccccc2[N+](=O)[O-])c1 ZINC000000273807 169594171 /nfs/dbraw/zinc/59/41/71/169594171.db2.gz VWGAEMSUQJFANT-MHWRWJLKSA-N 0 0 254.289 3.962 50 30 CHEARN CCOC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccccc1 ZINC000000292471 169599100 /nfs/dbraw/zinc/59/91/00/169599100.db2.gz BCOSVNLOERSBOV-UHFFFAOYSA-N 0 0 298.367 3.768 50 30 CHEARN N#Cc1ccc(OC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000398221 169630373 /nfs/dbraw/zinc/63/03/73/169630373.db2.gz RTFAJNXNXWMWOZ-UHFFFAOYSA-N 0 0 272.691 3.823 50 30 CHEARN CC1(C)CC(=O)C(=CNc2cccc(Cl)c2)C(=O)C1 ZINC000000436533 169640035 /nfs/dbraw/zinc/64/00/35/169640035.db2.gz GHOBGLRVLQMNLZ-UHFFFAOYSA-N 0 0 277.751 3.594 50 30 CHEARN CC[C@H](C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000000456060 169645074 /nfs/dbraw/zinc/64/50/74/169645074.db2.gz NJDJIBCVGFUGOR-HNNXBMFYSA-N 0 0 264.328 3.691 50 30 CHEARN COc1ccc(-c2[nH]c3ccccc3c2CC#N)cc1 ZINC000000402378 184527657 /nfs/dbraw/zinc/52/76/57/184527657.db2.gz RKLQCZXCTRBUDO-UHFFFAOYSA-N 0 0 262.312 3.910 50 30 CHEARN N#Cc1cccc(Oc2ccc(Br)cc2)c1C#N ZINC000000482203 169653005 /nfs/dbraw/zinc/65/30/05/169653005.db2.gz YWYOHZDGDWHPPQ-UHFFFAOYSA-N 0 0 299.127 3.985 50 30 CHEARN CSC(=NSc1ccc(C)cc1[N+](=O)[O-])SC ZINC000000496379 169656407 /nfs/dbraw/zinc/65/64/07/169656407.db2.gz MOWRWJHWMZRTAE-UHFFFAOYSA-N 0 0 288.419 3.992 50 30 CHEARN COc1ccc(C=NNc2cccc3cccnc32)cc1 ZINC000004016798 256872233 /nfs/dbraw/zinc/87/22/33/256872233.db2.gz MFZBMJHWTLEYSE-XDHOZWIPSA-N 0 0 277.327 3.689 50 30 CHEARN CCC[C@H]1CCc2c(C#N)c(NC(=O)OC)sc2C1 ZINC000001053682 169687537 /nfs/dbraw/zinc/68/75/37/169687537.db2.gz RXKNDHBGJWKOGN-VIFPVBQESA-N 0 0 278.377 3.703 50 30 CHEARN CCCC(=O)Nc1ccc(C#Cc2ccccc2)cc1 ZINC000001384314 169697524 /nfs/dbraw/zinc/69/75/24/169697524.db2.gz QANIAORLZJKBAP-UHFFFAOYSA-N 0 0 263.340 3.825 50 30 CHEARN Cc1cccc(C(=O)O/N=C2\CCCc3ccccc32)c1 ZINC000001396230 169700848 /nfs/dbraw/zinc/70/08/48/169700848.db2.gz BBZNBHCMNOAMGH-HTXNQAPBSA-N 0 0 279.339 3.892 50 30 CHEARN C=CCCC[C@H](C=C)S(=O)(=O)c1ccc(C)cc1 ZINC000002074660 169774025 /nfs/dbraw/zinc/77/40/25/169774025.db2.gz QIWXZMRMBMTRGY-AWEZNQCLSA-N 0 0 264.390 3.680 50 30 CHEARN CC(C)(C)C#CC(O)(C#CC(C)(C)C)C#CC(C)(C)C ZINC000004321932 169957636 /nfs/dbraw/zinc/95/76/36/169957636.db2.gz LUAKXJPRIUIGSE-UHFFFAOYSA-N 0 0 272.432 3.866 50 30 CHEARN Cc1cccc(Nc2nc(C)c([N+](=O)[O-])c(C)c2C#N)c1 ZINC000004713622 170003374 /nfs/dbraw/zinc/00/33/74/170003374.db2.gz SURIOSTVZCCRMS-UHFFFAOYSA-N 0 0 282.303 3.530 50 30 CHEARN O=C1/C(=C/c2ccncc2)CCC/C1=C\c1ccncc1 ZINC000004762361 170013557 /nfs/dbraw/zinc/01/35/57/170013557.db2.gz CYVVJSKZRBZHAV-UNZYHPAISA-N 0 0 276.339 3.697 50 30 in-vitro CHEARN Cc1ccc(-n2c3ccccc3nc2SCC#N)cc1 ZINC000004829701 170025460 /nfs/dbraw/zinc/02/54/60/170025460.db2.gz LCNYPMNACKPVKC-UHFFFAOYSA-N 0 0 279.368 3.950 50 30 CHEARN Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000004832336 170026212 /nfs/dbraw/zinc/02/62/12/170026212.db2.gz BNGHOUOGMJAAFT-ZDUSSCGKSA-N 0 0 296.395 3.986 50 30 CHEARN CCOC(=O)C(C)=NNc1ccc2oc3ccccc3c2c1 ZINC000004834837 170026382 /nfs/dbraw/zinc/02/63/82/170026382.db2.gz HLDFZLPBZYWCJL-WOJGMQOQSA-N 0 0 296.326 3.937 50 30 CHEARN C#CCn1c2ccccc2nc1COc1ccccc1C ZINC000004908458 170039723 /nfs/dbraw/zinc/03/97/23/170039723.db2.gz ITKJTHYRBSMQJO-UHFFFAOYSA-N 0 0 276.339 3.557 50 30 CHEARN O=C(C=CNCc1ccccc1)c1ccc(Cl)cc1 ZINC000004954985 170045344 /nfs/dbraw/zinc/04/53/44/170045344.db2.gz LGNUXBSMVQHDFS-ZHACJKMWSA-N 0 0 271.747 3.826 50 30 CHEARN C/C(=N/OC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000005003558 170053657 /nfs/dbraw/zinc/05/36/57/170053657.db2.gz USZMRMOXPZKKKA-ZAODVUJUSA-N 0 0 279.339 3.758 50 30 CHEARN N#C[C@@H]1C(=S)NC2=C(CCCC2)C12CCCCC2 ZINC000005044025 170060313 /nfs/dbraw/zinc/06/03/13/170060313.db2.gz NBQLMTHFUYOGJT-GFCCVEGCSA-N 0 0 260.406 3.835 50 30 CHEARN CCOC(=O)/C(=C\c1ccccc1)C(=O)c1ccccc1 ZINC000005052607 170061742 /nfs/dbraw/zinc/06/17/42/170061742.db2.gz BHKXLHNAIARBLO-SSZFMOIBSA-N 0 0 280.323 3.516 50 30 CHEARN COc1ccc(CN=Nc2nc(C(C)(C)C)cs2)cc1 ZINC000005068593 170063409 /nfs/dbraw/zinc/06/34/09/170063409.db2.gz LVCJMNBJEPSJHS-CXUHLZMHSA-N 0 0 289.404 3.895 50 30 CHEARN Cc1ccc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000005112292 170067224 /nfs/dbraw/zinc/06/72/24/170067224.db2.gz CHHQEJQSRYJWBV-MDZDMXLPSA-N 0 0 267.284 3.799 50 30 CHEARN CN1c2ccccc2S/C1=C\C(=O)c1ccccc1 ZINC000005248286 170079169 /nfs/dbraw/zinc/07/91/69/170079169.db2.gz ZOSCLVRDFHFOHY-WJDWOHSUSA-N 0 0 267.353 3.953 50 30 CHEARN Clc1cccc(CN=Nc2ncnc3ccccc32)c1 ZINC000005280413 170082458 /nfs/dbraw/zinc/08/24/58/170082458.db2.gz NMIGSHVBGMMIAN-DJKKODMXSA-N 0 0 282.734 3.729 50 30 CHEARN CCOc1cccc(/C=N/c2cc(F)ccc2F)c1O ZINC000005287431 170083179 /nfs/dbraw/zinc/08/31/79/170083179.db2.gz WUJIMNYQYJGTQX-GIJQJNRQSA-N 0 0 277.270 3.820 50 30 CHEARN CCc1cccc(C)c1NC1=CC(=O)C(=O)c2ccccc21 ZINC000005569406 170114578 /nfs/dbraw/zinc/11/45/78/170114578.db2.gz FGBAOWPCALJVGA-UHFFFAOYSA-N 0 0 291.350 3.776 50 30 CHEARN O=C1SC(c2ccccc2)=CC1=NNc1ccccc1 ZINC000005647890 170123917 /nfs/dbraw/zinc/12/39/17/170123917.db2.gz VWAOIAJDHBLMSZ-JXAWBTAJSA-N 0 0 280.352 3.769 50 30 CHEARN C=CCn1c([C@H](CCC(C)C)CC(C)(C)O)n[nH]c1=S ZINC000005789649 170140529 /nfs/dbraw/zinc/14/05/29/170140529.db2.gz RJWQBXHNZUOUFK-GFCCVEGCSA-N 0 0 297.468 3.807 50 30 CHEARN CC(C)C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000005906058 170153262 /nfs/dbraw/zinc/15/32/62/170153262.db2.gz ZKFNKNFIQRGCRB-UHFFFAOYSA-N 0 0 276.405 3.873 50 30 CHEARN CCc1c(C)sc(NC(=O)c2ccc(F)cc2)c1C#N ZINC000006122899 170177575 /nfs/dbraw/zinc/17/75/75/170177575.db2.gz KBQIWWDCHBGEKY-UHFFFAOYSA-N 0 0 288.347 3.882 50 30 CHEARN CC1(C)OC(C)(C)/C(=C/c2ccc3cccnc3c2)C1=O ZINC000006137952 170178823 /nfs/dbraw/zinc/17/88/23/170178823.db2.gz KTBLHPTXJHRGOI-GXDHUFHOSA-N 0 0 281.355 3.775 50 30 CHEARN Cc1ccc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1F ZINC000006399798 170198483 /nfs/dbraw/zinc/19/84/83/170198483.db2.gz YRFYTJADESNSSA-UHFFFAOYSA-N 0 0 271.251 3.658 50 30 CHEARN CC(C)c1nc(C#N)c(N=NCc2cccc(Cl)c2)o1 ZINC000006617027 170219424 /nfs/dbraw/zinc/21/94/24/170219424.db2.gz CFPIKROOWPKKSP-CAOOACKPSA-N 0 0 288.738 3.769 50 30 CHEARN Cc1cc(O)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000006661252 170223712 /nfs/dbraw/zinc/22/37/12/170223712.db2.gz LWPQQWPXDJLEMY-AUWJEWJLSA-N 0 0 286.714 3.970 50 30 CHEARN COc1ccc2c(c1)CC/C(=C\c1ccc(C#N)cc1)C2=O ZINC000006665251 170223774 /nfs/dbraw/zinc/22/37/74/170223774.db2.gz IIDKNUHFKDAWNT-MHWRWJLKSA-N 0 0 289.334 3.779 50 30 CHEARN C=C(C)COc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000006742868 170238251 /nfs/dbraw/zinc/23/82/51/170238251.db2.gz QEDMHFDIDYOMDU-UHFFFAOYSA-N 0 0 293.366 3.844 50 30 CHEARN C=C(C)COc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000006745119 170239006 /nfs/dbraw/zinc/23/90/06/170239006.db2.gz SORVDZBFGXIZJS-UHFFFAOYSA-N 0 0 297.354 3.902 50 30 CHEARN C#CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000006746826 170239371 /nfs/dbraw/zinc/23/93/71/170239371.db2.gz FYDQPBNLWSNTLU-UHFFFAOYSA-N 0 0 299.757 3.913 50 30 CHEARN CN(C)c1ccc(/C=C/C=N/OC(=O)c2ccccc2)cc1 ZINC000006995502 170260770 /nfs/dbraw/zinc/26/07/70/170260770.db2.gz GNDSLBYSASXAJU-KUZBFYBWSA-N 0 0 294.354 3.609 50 30 CHEARN COC(=O)c1cccc(CSCc2ccc(C#N)cc2)c1 ZINC000007208614 170271440 /nfs/dbraw/zinc/27/14/40/170271440.db2.gz FAOUHOVPCRXSKD-UHFFFAOYSA-N 0 0 297.379 3.778 50 30 CHEARN Cc1ccc(N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1C ZINC000007222936 170272838 /nfs/dbraw/zinc/27/28/38/170272838.db2.gz QKZFODFJVBWDNJ-AWEZNQCLSA-N 0 0 293.370 3.614 50 30 CHEARN CCOc1ccccc1CCC(=O)Nc1cccc(C#N)c1 ZINC000007268489 170275205 /nfs/dbraw/zinc/27/52/05/170275205.db2.gz STPPIPLFZGHQJS-UHFFFAOYSA-N 0 0 294.354 3.528 50 30 CHEARN Cc1cc(Cl)ccc1NC(=O)C1(C#N)CCCC1 ZINC000007334543 170277849 /nfs/dbraw/zinc/27/78/49/170277849.db2.gz ARFKQZJCRBSIAB-UHFFFAOYSA-N 0 0 262.740 3.671 50 30 CHEARN N#Cc1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1 ZINC000007734778 170299332 /nfs/dbraw/zinc/29/93/32/170299332.db2.gz JFDXVPUMCOPRNM-UHFFFAOYSA-N 0 0 290.366 3.618 50 30 CHEARN O=C1c2ccccc2CC/C1=C\c1cccc(O)c1 ZINC000007741521 170300298 /nfs/dbraw/zinc/30/02/98/170300298.db2.gz FPPNGOCBEIBIFH-GXDHUFHOSA-N 0 0 250.297 3.605 50 30 CHEARN CN(Cc1ccc(Cl)s1)C(=O)c1cccc(C#N)c1 ZINC000007979776 170311368 /nfs/dbraw/zinc/31/13/68/170311368.db2.gz LZNXKLABPZUCQJ-UHFFFAOYSA-N 0 0 290.775 3.545 50 30 CHEARN N#C[C@H](c1nc2ccccc2[nH]1)c1nc2ccccc2s1 ZINC000008863418 170357718 /nfs/dbraw/zinc/35/77/18/170357718.db2.gz SJHDRTCEBQYPLA-SNVBAGLBSA-N 0 0 290.351 3.828 50 30 CHEARN C=CCSc1nnc(NCc2ccc(F)cc2)s1 ZINC000008878666 170358221 /nfs/dbraw/zinc/35/82/21/170358221.db2.gz KPJWUHUTFBZCLE-UHFFFAOYSA-N 0 0 281.381 3.567 50 30 CHEARN C=CCN(CC=C)Cc1c(C)[nH]c2c(CC)cccc2c1=O ZINC000008926972 170359263 /nfs/dbraw/zinc/35/92/63/170359263.db2.gz CYJNTTWKELBNNS-UHFFFAOYSA-N 0 0 296.414 3.985 50 30 CHEARN C[C@@H](NC(=O)/C=C/c1ccccc1C#N)c1cccs1 ZINC000009256774 170368882 /nfs/dbraw/zinc/36/88/82/170368882.db2.gz VMDQLMNUNPLGCP-IDVQTMNDSA-N 0 0 282.368 3.510 50 30 CHEARN C=C(C)COc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000009813030 170386161 /nfs/dbraw/zinc/38/61/61/170386161.db2.gz ZMBLAWSZPGIRMY-UHFFFAOYSA-N 0 0 281.355 3.823 50 30 CHEARN O=C(/C=C/c1ccc(F)c(F)c1)c1ccc2c(c1)CCO2 ZINC000014198042 170624685 /nfs/dbraw/zinc/62/46/85/170624685.db2.gz ZHTYKDMRILCRPL-GORDUTHDSA-N 0 0 286.277 3.796 50 30 CHEARN COc1cccc(/N=C/C=C2OC(C)(C)C(C)(C)O2)c1 ZINC000015961428 170683579 /nfs/dbraw/zinc/68/35/79/170683579.db2.gz NCLDADPWPBFRGN-LICLKQGHSA-N 0 0 275.348 3.843 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)s1 ZINC000016046752 170686408 /nfs/dbraw/zinc/68/64/08/170686408.db2.gz HCOFMERQANGYHI-HWKANZROSA-N 0 0 286.352 3.724 50 30 CHEARN CC1=CC2=C(O[C@H]1N(C)C)c1cccc3cccc(c31)C2=O ZINC000019883037 170908785 /nfs/dbraw/zinc/90/87/85/170908785.db2.gz IIJYHLHWHGZFRM-LJQANCHMSA-N 0 0 291.350 3.611 50 30 biogenic CHEARN CC(C)CNc1oc(/C=C/c2ccc(F)cc2)nc1C#N ZINC000020446564 171206744 /nfs/dbraw/zinc/20/67/44/171206744.db2.gz KSVZNAOSKYQCEJ-VMPITWQZSA-N 0 0 285.322 3.924 50 30 CHEARN CNc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000020458569 171208946 /nfs/dbraw/zinc/20/89/46/171208946.db2.gz FFJWSMNUSHDPEA-UHFFFAOYSA-N 0 0 283.278 3.742 50 30 CHEARN C[C@H](NC(=O)c1ccccc1SCC#N)c1ccccc1 ZINC000021706712 171319578 /nfs/dbraw/zinc/31/95/78/171319578.db2.gz FBZJFYMSRUTOCW-ZDUSSCGKSA-N 0 0 296.395 3.793 50 30 CHEARN N#CCCCSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000021746093 171321322 /nfs/dbraw/zinc/32/13/22/171321322.db2.gz QADXDAIQMIUMLP-UHFFFAOYSA-N 0 0 278.768 3.521 50 30 CHEARN CC(C)(C)c1cc(-c2ccc(F)cc2)c(C#N)c(N)n1 ZINC000022130710 171354686 /nfs/dbraw/zinc/35/46/86/171354686.db2.gz DXILOQPDULTKQV-UHFFFAOYSA-N 0 0 269.323 3.639 50 30 CHEARN C#CCN(C)C(=O)c1ccc(-c2ccc(OCC)cc2)s1 ZINC000022336327 171385718 /nfs/dbraw/zinc/38/57/18/171385718.db2.gz PFRBJRLRJFDGBH-UHFFFAOYSA-N 0 0 299.395 3.519 50 30 CHEARN O=C(/C=C\c1ccco1)c1ccc(Br)cc1 ZINC000033926764 171827158 /nfs/dbraw/zinc/82/71/58/171827158.db2.gz HMVCKSXANOKQAS-FPLPWBNLSA-N 0 0 277.117 3.938 50 30 CHEARN Cc1cc(NCc2ccccc2)nc(Cl)c1C#N ZINC000035326800 172127954 /nfs/dbraw/zinc/12/79/54/172127954.db2.gz WDIWKTVBFXUQAX-UHFFFAOYSA-N 0 0 257.724 3.527 50 30 CHEARN C#Cc1cccc(NC(=O)/C=C/c2cc(C)ccc2OC)c1 ZINC000036660995 172645279 /nfs/dbraw/zinc/64/52/79/172645279.db2.gz AIZUWEOQJWFIIO-PKNBQFBNSA-N 0 0 291.350 3.637 50 30 CHEARN N#CC1(c2ccc(Cl)cc2Cl)CCC(=O)CC1 ZINC000039251587 174167383 /nfs/dbraw/zinc/16/73/83/174167383.db2.gz OUKRPSQXZBCMEC-UHFFFAOYSA-N 0 0 268.143 3.898 50 30 CHEARN Cc1cc([C@@H](C)NC(=O)c2ccc(C#N)cc2)c(C)s1 ZINC000040074301 174186723 /nfs/dbraw/zinc/18/67/23/174186723.db2.gz CFMIGIAUTZBIMP-LLVKDONJSA-N 0 0 284.384 3.728 50 30 CHEARN Cc1cc([C@H](C)NC(=O)c2ccc(C#N)cc2)c(C)s1 ZINC000040074302 174186995 /nfs/dbraw/zinc/18/69/95/174186995.db2.gz CFMIGIAUTZBIMP-NSHDSACASA-N 0 0 284.384 3.728 50 30 CHEARN N#Cc1cccc(/C=C/C(=O)N(C2CC2)C2CCCC2)c1 ZINC000040090280 174189164 /nfs/dbraw/zinc/18/91/64/174189164.db2.gz FUCCADHXCQPIMF-DHZHZOJOSA-N 0 0 280.371 3.505 50 30 CHEARN CCCN(CCC)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000040104338 174191470 /nfs/dbraw/zinc/19/14/70/174191470.db2.gz UALQCTVQCPULLM-UHFFFAOYSA-N 0 0 279.771 3.866 50 30 CHEARN N#Cc1cccc(/C=C/C(=O)c2ccccc2-n2cccn2)c1 ZINC000040146036 174195031 /nfs/dbraw/zinc/19/50/31/174195031.db2.gz ZFLNVIKVRLWNMF-MDZDMXLPSA-N 0 0 299.333 3.640 50 30 CHEARN C=CCn1c(S[C@@H](C)C#N)nnc1C1CCCCC1 ZINC000040456759 174267567 /nfs/dbraw/zinc/26/75/67/174267567.db2.gz DAWZFXRTZJNTIE-NSHDSACASA-N 0 0 276.409 3.516 50 30 CHEARN C=CCSCC(=O)N(C)Cc1cccc2ccccc21 ZINC000044484477 175180461 /nfs/dbraw/zinc/18/04/61/175180461.db2.gz XAZSBDPVSLUWCN-UHFFFAOYSA-N 0 0 285.412 3.717 50 30 CHEARN C=CCn1c(C)nnc1S[C@@H](C)c1ccc(F)cc1 ZINC000044865830 175267803 /nfs/dbraw/zinc/26/78/03/175267803.db2.gz JCRCULGFTWLROE-JTQLQIEISA-N 0 0 277.368 3.765 50 30 CHEARN N#Cc1ccc(Sc2nc3ccccc3o2)cc1 ZINC000019867982 326857745 /nfs/dbraw/zinc/85/77/45/326857745.db2.gz ITZDULMHKGDJGC-UHFFFAOYSA-N 0 0 252.298 3.851 50 30 CHEARN N#CCCN(C(=O)c1ccoc1C1CC1)c1ccc(F)cc1 ZINC000577254909 335330284 /nfs/dbraw/zinc/33/02/84/335330284.db2.gz SXTYVHQQQWPLET-UHFFFAOYSA-N 0 0 298.317 3.857 50 30 CHEARN CC#CC(=O)N1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000330032673 519330614 /nfs/dbraw/zinc/33/06/14/519330614.db2.gz QKHCDFCTYXWUJH-NHYWBVRUSA-N 0 0 295.304 3.638 50 30 CHEARN CCCCCCCCCCSc1nc(N)n[nH]1 ZINC000008440343 520023173 /nfs/dbraw/zinc/02/31/73/520023173.db2.gz VGCORPJWJQCVBM-UHFFFAOYSA-N 0 0 256.419 3.620 50 30 CHEARN CCCc1c/c(=N/OC(C)=O)oc2cc3occ(C)c3cc12 ZINC000013690907 521340186 /nfs/dbraw/zinc/34/01/86/521340186.db2.gz OVXQDSFOBXZQNB-ZCXUNETKSA-N 0 0 299.326 3.819 50 30 CHEARN CC[C@H](C)N(CC#Cc1ccccc1)Cc1nccs1 ZINC000055211134 523924006 /nfs/dbraw/zinc/92/40/06/523924006.db2.gz AIJMWEMDJPEIAC-HNNXBMFYSA-N 0 0 284.428 3.795 50 30 CHEARN C[C@@H]1C[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)CCO1 ZINC000274761538 525273505 /nfs/dbraw/zinc/27/35/05/525273505.db2.gz RQXLDPQGDLAXLE-KOLCDFICSA-N 0 0 284.281 3.556 50 30 CHEARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(C#N)c1 ZINC000012976035 526055395 /nfs/dbraw/zinc/05/53/95/526055395.db2.gz HIFYKERALODNTM-LBPRGKRZSA-N 0 0 282.318 3.531 50 30 CHEARN C=CCNC(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000005613120 526638569 /nfs/dbraw/zinc/63/85/69/526638569.db2.gz BRPVCAPZRUIPSO-UHFFFAOYSA-N 0 0 285.290 3.836 50 30 CHEARN CC(C)(C)c1ccc(-c2nnc(SCC#N)o2)cc1 ZINC000004060618 526760674 /nfs/dbraw/zinc/76/06/74/526760674.db2.gz UAMOPZUOGQHISM-UHFFFAOYSA-N 0 0 273.361 3.650 50 30 CHEARN O=C1c2cc(Cl)ccc2O/C1=C\c1cccc(O)c1 ZINC000039842304 527120736 /nfs/dbraw/zinc/12/07/36/527120736.db2.gz CALHKJQZBSNHRA-AUWJEWJLSA-N 0 0 272.687 3.662 50 30 CHEARN CCCCCCCCOC(=O)c1ccc(O)cc1 ZINC000001568934 528130627 /nfs/dbraw/zinc/13/06/27/528130627.db2.gz RIKCMEDSBFQFAL-UHFFFAOYSA-N 0 0 250.338 3.910 50 30 CHEARN C#CC(C)(C)OC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002532677 567929759 /nfs/dbraw/zinc/92/97/59/567929759.db2.gz VGNSWIRCHXTNKS-UHFFFAOYSA-N 0 0 271.238 3.666 50 30 CHEARN N#Cc1c(F)cccc1OCc1ccc(Cl)cc1 ZINC000000162087 570387151 /nfs/dbraw/zinc/38/71/51/570387151.db2.gz UCZCRTPNBWBCBM-UHFFFAOYSA-N 0 0 261.683 3.930 50 30 CHEARN C#CC(CC)(CC)NC(=O)Nc1cc(C)ccc1C ZINC000013323063 570340129 /nfs/dbraw/zinc/34/01/29/570340129.db2.gz XXGNPYXZBJBPMZ-UHFFFAOYSA-N 0 0 258.365 3.617 50 30 CHEARN N#Cc1cccc(CN[C@H](c2ccccc2)c2ccccn2)c1 ZINC000025420632 566838805 /nfs/dbraw/zinc/83/88/05/566838805.db2.gz TWHHMXCCNFVUET-HXUWFJFHSA-N 0 0 299.377 3.832 50 30 CHEARN COc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)s1 ZINC000035005598 566843492 /nfs/dbraw/zinc/84/34/92/566843492.db2.gz JLGALXHJYQIVOM-DAXSKMNVSA-N 0 0 289.312 3.561 50 30 CHEARN N#Cc1ccc(OCc2nc3ccccc3n2C(F)F)cc1 ZINC000031676304 566845309 /nfs/dbraw/zinc/84/53/09/566845309.db2.gz AAQRWRDYKIVVDQ-UHFFFAOYSA-N 0 0 299.280 3.882 50 30 CHEARN Fc1c(F)c(F)c(NC2=NCCCCC2)c(F)c1F ZINC000012561739 566850176 /nfs/dbraw/zinc/85/01/76/566850176.db2.gz BQGRBEPQQKAXQK-UHFFFAOYSA-N 0 0 278.224 3.576 50 30 CHEARN C#CCOc1ccc2cc(Br)ccc2c1 ZINC000041634674 566856480 /nfs/dbraw/zinc/85/64/80/566856480.db2.gz PFQJYGYZEXHZJV-UHFFFAOYSA-N 0 0 261.118 3.614 50 30 CHEARN Cc1nccc2nc(Oc3ccc(C#N)cc3)ccc12 ZINC000001392992 566869955 /nfs/dbraw/zinc/86/99/55/566869955.db2.gz SSWQEQCPOQKBFB-UHFFFAOYSA-N 0 0 261.284 3.602 50 30 CHEARN C[C@@H](c1cccs1)[S@@](=O)Cc1ccc(C#N)cc1 ZINC000084667332 566885177 /nfs/dbraw/zinc/88/51/77/566885177.db2.gz RYPBXVUDQUNFMI-BBATYDOGSA-N 0 0 275.398 3.630 50 30 CHEARN N#CCSc1nc(-c2ccco2)nc2ccccc21 ZINC000012782362 566887615 /nfs/dbraw/zinc/88/76/15/566887615.db2.gz GEHLBFZORCAOKE-UHFFFAOYSA-N 0 0 267.313 3.505 50 30 CHEARN C=CCn1c2ccccc2nc1NCc1cccs1 ZINC000004608295 566889404 /nfs/dbraw/zinc/88/94/04/566889404.db2.gz WMDOCQHIDCJHQI-UHFFFAOYSA-N 0 0 269.373 3.896 50 30 CHEARN N#Cc1ncc(C(F)(F)F)cc1-c1cccc(F)c1 ZINC000047203962 566890158 /nfs/dbraw/zinc/89/01/58/566890158.db2.gz UOHDNGVZWXNRPD-UHFFFAOYSA-N 0 0 266.197 3.778 50 30 CHEARN Cc1ccc(C)c(/N=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000100003858 566896034 /nfs/dbraw/zinc/89/60/34/566896034.db2.gz ZEUBPYWOKZYFNG-MHWRWJLKSA-N 0 0 254.289 3.962 50 30 CHEARN C=CCN(CC=C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000000395237 566898623 /nfs/dbraw/zinc/89/86/23/566898623.db2.gz FNCJZRMAWBHPLG-UHFFFAOYSA-N 0 0 264.756 3.854 50 30 CHEARN C#C[C@@]1(C)CC[C@@H]2[C@H](O1)c1ccccc1OC2(C)C ZINC000001233805 566900035 /nfs/dbraw/zinc/90/00/35/566900035.db2.gz XJYIHLZPVJZAOI-UNEWFSDZSA-N 0 0 256.345 3.717 50 30 CHEARN O=C(/C=C\c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000004582543 566910833 /nfs/dbraw/zinc/91/08/33/566910833.db2.gz GJELHMVLECRVNP-WTKPLQERSA-N 0 0 271.247 3.630 50 30 CHEARN O=[N+]([O-])c1ccc(S/N=C/c2ccccc2)cc1 ZINC000004831620 566911869 /nfs/dbraw/zinc/91/18/69/566911869.db2.gz MCPZKFPUXRBOLJ-GXDHUFHOSA-N 0 0 258.302 3.721 50 30 CHEARN N#CC[C@H]1C[C@H]2[C@H]3C[C@@H](CC#N)[C@@H]4[C@@H]5C=C[C@H]6[C@@H]1[C@@H]2[C@@H]([C@@H]34)[C@H]65 ZINC000253614279 566923386 /nfs/dbraw/zinc/92/33/86/566923386.db2.gz OGHCMZRVEOKIBU-PNJYOBFISA-N 0 0 290.410 3.626 50 30 CHEARN O=C(Nc1cccc(C#Cc2ccccc2)c1)c1ccoc1 ZINC000012904993 566927476 /nfs/dbraw/zinc/92/74/76/566927476.db2.gz FNXNCTGLQRTHQF-UHFFFAOYSA-N 0 0 287.318 3.932 50 30 CHEARN N#CCCSc1nc(-c2ccco2)nc2ccccc21 ZINC000012931498 566930845 /nfs/dbraw/zinc/93/08/45/566930845.db2.gz RGOFYMIDOAVTPE-UHFFFAOYSA-N 0 0 281.340 3.896 50 30 CHEARN O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccco1 ZINC000012928821 566930913 /nfs/dbraw/zinc/93/09/13/566930913.db2.gz RAQJEVCZNJHWFC-UHFFFAOYSA-N 0 0 293.347 3.993 50 30 CHEARN COc1ccc2nc(CSCCCC#N)sc2c1 ZINC000191021591 566952259 /nfs/dbraw/zinc/95/22/59/566952259.db2.gz QUHWRLYFQXMDFF-UHFFFAOYSA-N 0 0 278.402 3.842 50 30 CHEARN Cc1cc(N=Cc2ccc([N+](=O)[O-])cc2)cc(C)c1O ZINC000252622261 566960352 /nfs/dbraw/zinc/96/03/52/566960352.db2.gz NRJOPZLPFBQHMP-UHFFFAOYSA-N 0 0 270.288 3.668 50 30 CHEARN N#CCC[C@H](C#N)CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000241383134 566968139 /nfs/dbraw/zinc/96/81/39/566968139.db2.gz MSTOYVNTAJYNRW-CJNGLKHVSA-N 0 0 287.794 3.920 50 30 CHEARN S=C1N=NC(C2CCCCC2)N1N=Cc1cccs1 ZINC000244735018 566968257 /nfs/dbraw/zinc/96/82/57/566968257.db2.gz NRQAYODBARNDDA-UHFFFAOYSA-N 0 0 292.433 3.558 50 30 CHEARN CC1=CC2=C(O[C@@H]1N(C)C)c1cccc3cccc(c31)C2=O ZINC000019883039 566979092 /nfs/dbraw/zinc/97/90/92/566979092.db2.gz IIJYHLHWHGZFRM-IBGZPJMESA-N 0 0 291.350 3.611 50 30 biogenic CHEARN Cc1ccc2c(c1)C/C(=C/c1ccc(N(C)C)cc1)C2=O ZINC000036382845 567002373 /nfs/dbraw/zinc/00/23/73/567002373.db2.gz DCNZSOINCRFTJX-WJDWOHSUSA-N 0 0 277.367 3.883 50 30 CHEARN C=C(C)COc1ccc2c(c1)NC(=O)C[C@@H]2CCSC ZINC000065395092 567008094 /nfs/dbraw/zinc/00/80/94/567008094.db2.gz YRLNUHQBUQCMEW-LBPRGKRZSA-N 0 0 291.416 3.820 50 30 CHEARN C[C@H](Sc1cccc(C#N)c1)c1nc(C2CC2)no1 ZINC000089913638 567030756 /nfs/dbraw/zinc/03/07/56/567030756.db2.gz XHVGLVIMGFNREH-VIFPVBQESA-N 0 0 271.345 3.672 50 30 CHEARN Cc1ccc2ncnc(N[C@@H](C)c3ccc(C#N)cc3)c2c1 ZINC000170638277 567042638 /nfs/dbraw/zinc/04/26/38/567042638.db2.gz MLVXKZXBFPYZAJ-ZDUSSCGKSA-N 0 0 288.354 3.983 50 30 CHEARN CCN(CC)c1ccc(C=Nc2ccccc2C#N)c(O)c1 ZINC000252460561 567051457 /nfs/dbraw/zinc/05/14/57/567051457.db2.gz GHOSKFQKLYSZBK-UHFFFAOYSA-N 0 0 293.370 3.861 50 30 CHEARN Cc1ccc(C=Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000252462304 567051710 /nfs/dbraw/zinc/05/17/10/567051710.db2.gz RJCVNEHVZDDAKR-UHFFFAOYSA-N 0 0 264.281 3.854 50 30 CHEARN N#Cc1cccc(N=Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000252462846 567051770 /nfs/dbraw/zinc/05/17/70/567051770.db2.gz WSSONWRPMGRGPD-UHFFFAOYSA-N 0 0 285.690 3.870 50 30 CHEARN Cc1c(N=Cc2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000252462676 567051830 /nfs/dbraw/zinc/05/18/30/567051830.db2.gz VHOFTJBRNQDBLP-UHFFFAOYSA-N 0 0 283.331 3.720 50 30 CHEARN Cc1ccc(N=Cc2c[nH]c3ccccc23)c(O)c1 ZINC000252462382 567052596 /nfs/dbraw/zinc/05/25/96/567052596.db2.gz RWUOFLQCFWKZQH-UHFFFAOYSA-N 0 0 250.301 3.933 50 30 CHEARN CC(=NOCc1c(Cl)cccc1Cl)c1cnn(C)c1 ZINC000252463509 567054706 /nfs/dbraw/zinc/05/47/06/567054706.db2.gz KURIWPSITYAQJV-UHFFFAOYSA-N 0 0 298.173 3.668 50 30 CHEARN N#C[C@@H](OC(=O)c1ccccc1)c1ccccc1Cl ZINC000003122993 567056317 /nfs/dbraw/zinc/05/63/17/567056317.db2.gz DKVVGPYKLNKJKH-CQSZACIVSA-N 0 0 271.703 3.762 50 30 CHEARN Cc1ccc2ncnc(N[C@@H](C)c3cccc(C#N)c3)c2c1 ZINC000170644291 567060983 /nfs/dbraw/zinc/06/09/83/567060983.db2.gz TVEQKGVYRYUUIS-ZDUSSCGKSA-N 0 0 288.354 3.983 50 30 CHEARN N#C[C@@H]1CCC[C@@H](Nc2ccc(SCCCO)cc2)C1 ZINC000252499617 567061092 /nfs/dbraw/zinc/06/10/92/567061092.db2.gz SCVMXRDKWAUQJV-UKRRQHHQSA-N 0 0 290.432 3.655 50 30 CHEARN CC(C)=C[C@@H]1[C@H](C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)C1(C)C ZINC000252515220 567062182 /nfs/dbraw/zinc/06/21/82/567062182.db2.gz HWZUYTMXTHSULC-ATNYBXOESA-N 0 0 288.435 3.813 50 30 CHEARN CC(C)=C[C@@H]1[C@H](C(=O)O[C@@H]2CCCC[C@H]2C#N)C1(C)C ZINC000252515551 567062950 /nfs/dbraw/zinc/06/29/50/567062950.db2.gz LJIIAUDKMQFNMS-GBJTYRQASA-N 0 0 275.392 3.850 50 30 CHEARN COc1cc(C=NN(C)c2ccccc2)cc(Cl)c1O ZINC000252598062 567066134 /nfs/dbraw/zinc/06/61/34/567066134.db2.gz CXTHNYNLOKLZLJ-UHFFFAOYSA-N 0 0 290.750 3.525 50 30 CHEARN Cc1c(Cl)cccc1N=Cc1ccc(O)cc1O ZINC000252620443 567066826 /nfs/dbraw/zinc/06/68/26/567066826.db2.gz MEHOCZITVYBIFC-UHFFFAOYSA-N 0 0 261.708 3.810 50 30 CHEARN N#CC(=NNc1cccc(Cl)c1)C(=O)c1ccccc1 ZINC000252622668 567066876 /nfs/dbraw/zinc/06/68/76/567066876.db2.gz OACSOFKENCAAQU-UHFFFAOYSA-N 0 0 283.718 3.514 50 30 CHEARN CC(C)C=Nc1ccccc1C(=O)Nc1nccs1 ZINC000252622334 567068157 /nfs/dbraw/zinc/06/81/57/567068157.db2.gz NSXUVUNDVARNSH-UHFFFAOYSA-N 0 0 273.361 3.754 50 30 CHEARN O=C1CCCCC1=NNc1ccc(N2CCCCC2)cc1 ZINC000252628613 567069752 /nfs/dbraw/zinc/06/97/52/567069752.db2.gz SUFSHLSOMFYULF-UHFFFAOYSA-N 0 0 285.391 3.588 50 30 CHEARN C=CCNc1nc(-c2c[nH]c3ccccc32)cs1 ZINC000002327417 567099122 /nfs/dbraw/zinc/09/91/22/567099122.db2.gz GOAMKSCNBPCWSN-UHFFFAOYSA-N 0 0 255.346 3.889 50 30 CHEARN N#Cc1ccc2[nH]c(-c3ccc4[nH]ccc4c3)nc2c1 ZINC000055358876 567101850 /nfs/dbraw/zinc/10/18/50/567101850.db2.gz LPXPUVLSBKPMJI-UHFFFAOYSA-N 0 0 258.284 3.583 50 30 CHEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC=O)sc2C1 ZINC000000575966 567105965 /nfs/dbraw/zinc/10/59/65/567105965.db2.gz GAIFBJOQQVTTNQ-SNVBAGLBSA-N 0 0 276.405 3.729 50 30 CHEARN N#Cc1c(C(F)(F)F)cc(-c2cccs2)[nH]c1=S ZINC000018122040 567107039 /nfs/dbraw/zinc/10/70/39/567107039.db2.gz NRRMGADRBHVSNC-UHFFFAOYSA-N 0 0 286.303 3.989 50 30 CHEARN N#Cc1cc2c([nH]c1=S)CC[C@@H](c1ccccc1)C2 ZINC000068812745 567113200 /nfs/dbraw/zinc/11/32/00/567113200.db2.gz HYCRABJLNHOJTQ-GFCCVEGCSA-N 0 0 266.369 3.514 50 30 CHEARN COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1O ZINC000012978648 567117248 /nfs/dbraw/zinc/11/72/48/567117248.db2.gz XJXLWNVWMIVZOT-BQYQJAHWSA-N 0 0 288.730 3.950 50 30 CHEARN C=CC(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000328594403 567118573 /nfs/dbraw/zinc/11/85/73/567118573.db2.gz IKLNYFKPDVAADE-HOCLYGCPSA-N 0 0 259.349 3.605 50 30 CHEARN N#Cc1c(N)nc(-c2ccccc2)cc1-c1ccccc1 ZINC000018995588 567119366 /nfs/dbraw/zinc/11/93/66/567119366.db2.gz YFQVSTNNJZZYLY-UHFFFAOYSA-N 0 0 271.323 3.869 50 30 in-vivo CHEARN N#Cc1ccc(OCc2nc3ccccc3o2)c(Cl)c1 ZINC000019357701 567120549 /nfs/dbraw/zinc/12/05/49/567120549.db2.gz ASCFNZSEMWZQIS-UHFFFAOYSA-N 0 0 284.702 3.932 50 30 CHEARN Cc1ccc(CCC(=O)c2ccccc2C#N)cc1C ZINC000002517634 567120742 /nfs/dbraw/zinc/12/07/42/567120742.db2.gz ZZOWIAGMGHHCKQ-UHFFFAOYSA-N 0 0 263.340 3.991 50 30 CHEARN CCCCOc1ccc(CNc2oc(C)nc2C#N)cc1 ZINC000080343815 567129602 /nfs/dbraw/zinc/12/96/02/567129602.db2.gz RUIKCKQYLWWRDR-UHFFFAOYSA-N 0 0 285.347 3.646 50 30 CHEARN C[C@@H]1CCN(c2cc(C#N)ccn2)[C@H](c2ccco2)C1 ZINC000283778655 567143226 /nfs/dbraw/zinc/14/32/26/567143226.db2.gz PWUGYDBDZZXSPY-OCCSQVGLSA-N 0 0 267.332 3.524 50 30 CHEARN COc1cc(/C=C\C(=O)c2ccc(C)o2)cc(OC)c1 ZINC000096404381 567143754 /nfs/dbraw/zinc/14/37/54/567143754.db2.gz YFXMEPWNIPFVHS-WAYWQWQTSA-N 0 0 272.300 3.501 50 30 CHEARN N#Cc1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2 ZINC000002476406 567145695 /nfs/dbraw/zinc/14/56/95/567145695.db2.gz SXLXVBUANMHTQU-UHFFFAOYSA-N 0 0 264.240 3.743 50 30 biogenic CHEARN CCc1ccc(-c2cc(C(F)F)n3ncc(C#N)c3n2)cc1 ZINC000002758653 567152138 /nfs/dbraw/zinc/15/21/38/567152138.db2.gz DXJGYPCQNCYGHT-UHFFFAOYSA-N 0 0 298.296 3.768 50 30 CHEARN CCCCOc1ccc(/N=C2/c3ccccc3NC2=O)cc1 ZINC000226762362 567156272 /nfs/dbraw/zinc/15/62/72/567156272.db2.gz IZZFBQBLLWEWGV-UHFFFAOYSA-N 0 0 294.354 3.938 50 30 CHEARN Cc1cc(=O)oc2cc(OCc3ccccc3C#N)ccc12 ZINC000003378698 567171685 /nfs/dbraw/zinc/17/16/85/567171685.db2.gz MVJZEGANLGSLSO-UHFFFAOYSA-N 0 0 291.306 3.552 50 30 CHEARN Cc1cccc(C)c1NC(=O)/C=C/c1ccccc1C#N ZINC000058377736 567177702 /nfs/dbraw/zinc/17/77/02/567177702.db2.gz VNDHKMQWCSCRLS-ZHACJKMWSA-N 0 0 276.339 3.827 50 30 CHEARN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1)c1ccc(C#N)cc1 ZINC000031102479 567179015 /nfs/dbraw/zinc/17/90/15/567179015.db2.gz IXLBCLRHTMTFAK-UONOGXRCSA-N 0 0 293.370 3.680 50 30 CHEARN Cc1cc(C#N)c(Nc2ccccc2[N+](=O)[O-])s1 ZINC000004101102 567187604 /nfs/dbraw/zinc/18/76/04/567187604.db2.gz NPXUFPFFHANGDL-UHFFFAOYSA-N 0 0 259.290 3.580 50 30 CHEARN Cc1ccc2nc(C)c(C(=O)N(CCC#N)C(C)C)cc2c1 ZINC000069413883 567200601 /nfs/dbraw/zinc/20/06/01/567200601.db2.gz IJDGKTMTOGUOAI-UHFFFAOYSA-N 0 0 295.386 3.616 50 30 CHEARN CC/C(=N\Cc1ccc(C#N)cc1)c1ccccc1O ZINC000000098108 567818206 /nfs/dbraw/zinc/81/82/06/567818206.db2.gz FQVOMYFHCLLINJ-KNTRCKAVSA-N 0 0 264.328 3.663 50 30 CHEARN N#Cc1cc(Cl)ccc1/N=C/c1cccc([N+](=O)[O-])c1 ZINC000000097589 567818233 /nfs/dbraw/zinc/81/82/33/567818233.db2.gz VPPHCTDCRDYTOI-RQZCQDPDSA-N 0 0 285.690 3.870 50 30 CHEARN O=C1c2ccccc2S/C1=C/c1ccccc1[N+](=O)[O-] ZINC000000106053 567818531 /nfs/dbraw/zinc/81/85/31/567818531.db2.gz CXKLLLPQMSFRKN-NTEUORMPSA-N 0 0 283.308 3.924 50 30 CHEARN O=C1c2ccccc2CC/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000000105108 567818557 /nfs/dbraw/zinc/81/85/57/567818557.db2.gz WEBULUVFDZSBFP-KAMYIIQDSA-N 0 0 279.295 3.807 50 30 aggregator CHEARN CNC(=O)O/N=C1\CC(C)(C)Cc2csc(SC)c21 ZINC000000126017 567819096 /nfs/dbraw/zinc/81/90/96/567819096.db2.gz DTRJUVDNCSGGCU-OQLLNIDSSA-N 0 0 298.433 3.503 50 30 CHEARN N#Cc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000283025 567823865 /nfs/dbraw/zinc/82/38/65/567823865.db2.gz ZGWRVLCCQRAGQE-RQZCQDPDSA-N 0 0 285.690 3.870 50 30 CHEARN C[C@@]1(c2ccccc2)OC(=O)[C@@H](C#N)C12CCCCC2 ZINC000000289526 567824045 /nfs/dbraw/zinc/82/40/45/567824045.db2.gz IBWRSXPLRFQYDT-ZBFHGGJFSA-N 0 0 269.344 3.549 50 30 CHEARN N#C[C@@H](Cc1cccs1)C(=O)Nc1ccccc1Cl ZINC000000419704 567830056 /nfs/dbraw/zinc/83/00/56/567830056.db2.gz PUNFCBWYVDXFAD-SNVBAGLBSA-N 0 0 290.775 3.722 50 30 CHEARN CC(C)(C)C(=O)C=CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000464012 567831712 /nfs/dbraw/zinc/83/17/12/567831712.db2.gz ZJCIFCSBLLRAPV-VOTSOKGWSA-N 0 0 282.727 3.789 50 30 CHEARN CC1=NN([C@H](C#N)c2ccc(Cl)cc2)C(C)(C)C1 ZINC000001424763 567837106 /nfs/dbraw/zinc/83/71/06/567837106.db2.gz CNBQIBOSSWXEKL-CYBMUJFWSA-N 0 0 261.756 3.765 50 30 CHEARN COc1ccc2c(ccc3c2CC[C@](C)(C#N)C3=O)c1 ZINC000001729291 567842876 /nfs/dbraw/zinc/84/28/76/567842876.db2.gz RFJHBKVTFIOPAK-QGZVFWFLSA-N 0 0 265.312 3.507 50 30 CHEARN Cc1cccc(/N=C/c2ccc3c(c2)OCO3)c1C ZINC000002164425 567844908 /nfs/dbraw/zinc/84/49/08/567844908.db2.gz HMJCYXAENKXVRG-RQZCQDPDSA-N 0 0 253.301 3.783 50 30 CHEARN COc1ccc(Br)cc1CSCCC#N ZINC000002886374 567850243 /nfs/dbraw/zinc/85/02/43/567850243.db2.gz MZVPTXIPQSOCGA-UHFFFAOYSA-N 0 0 286.194 3.605 50 30 CHEARN Cc1c(Sc2ccc(Cl)cc2)cnn1CCC#N ZINC000003046143 567851448 /nfs/dbraw/zinc/85/14/48/567851448.db2.gz ZJKCJWKJJFGWCI-UHFFFAOYSA-N 0 0 277.780 3.910 50 30 CHEARN CCSc1ncc(C=NNc2ccc(Cl)cc2)n1C ZINC000004002500 567854610 /nfs/dbraw/zinc/85/46/10/567854610.db2.gz VXHDIPBISFRJKK-CXUHLZMHSA-N 0 0 294.811 3.632 50 30 CHEARN N#CC(C#N)=NNc1ccc(N=Nc2ccccc2)cc1 ZINC000004617001 567858542 /nfs/dbraw/zinc/85/85/42/567858542.db2.gz LDBWPTYGGBUCTJ-VHEBQXMUSA-N 0 0 274.287 3.917 50 30 CHEARN N#CC1(c2ccc(NC(=O)c3cccnc3)cc2)CCCC1 ZINC000012389767 567863113 /nfs/dbraw/zinc/86/31/13/567863113.db2.gz PFIOBYCSAGPMMG-UHFFFAOYSA-N 0 0 291.354 3.669 50 30 CHEARN C#CCn1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000004385619 567864346 /nfs/dbraw/zinc/86/43/46/567864346.db2.gz LEOXFURJAYUVCC-UHFFFAOYSA-N 0 0 266.731 3.990 50 30 CHEARN COc1ccc(/C(=N/O)c2ccc(OCC(C)C)cc2)cc1 ZINC000013465879 567866211 /nfs/dbraw/zinc/86/62/11/567866211.db2.gz DILOAHKPMNSJEM-HNENSFHCSA-N 0 0 299.370 3.957 50 30 CHEARN Nc1ccccc1NC1=CC(=O)C[C@H](c2ccccc2)C1 ZINC000013572450 567866674 /nfs/dbraw/zinc/86/66/74/567866674.db2.gz FHBLFDXTCULSMB-CQSZACIVSA-N 0 0 278.355 3.711 50 30 CHEARN CCN(C(=S)NCCOC)c1cccc2ccccc21 ZINC000013684238 567867006 /nfs/dbraw/zinc/86/70/06/567867006.db2.gz KYXZILWTVUCZGI-UHFFFAOYSA-N 0 0 288.416 3.598 50 30 CHEARN O=C1ON=C(c2ccccc2)/C1=C/C=C/c1ccccc1 ZINC000015685571 567871082 /nfs/dbraw/zinc/87/10/82/567871082.db2.gz CBJRQTXYKQLWTN-SBFJKYRKSA-N 0 0 275.307 3.587 50 30 CHEARN O=C1/C(=C/c2cc3ccccc3nc2Cl)N2CCC1CC2 ZINC000016525700 567873041 /nfs/dbraw/zinc/87/30/41/567873041.db2.gz ITRZHANRVKOHDW-GDNBJRDFSA-N 0 0 298.773 3.524 50 30 CHEARN Clc1ccc(/C=N/C[C@@H]2COc3ccccc3O2)cc1 ZINC000016849514 567873593 /nfs/dbraw/zinc/87/35/93/567873593.db2.gz NBSGSSLVUGITLE-UHPUNMKFSA-N 0 0 287.746 3.599 50 30 CHEARN Cc1ccc2cc(/C=C/C(=O)c3cccs3)c(=O)[nH]c2c1 ZINC000016945764 567874204 /nfs/dbraw/zinc/87/42/04/567874204.db2.gz BGQROJABWFTPOD-VOTSOKGWSA-N 0 0 295.363 3.794 50 30 CHEARN N#Cc1ccc(-c2nc(Cc3ccccc3Cl)no2)cc1 ZINC000000426167 567875637 /nfs/dbraw/zinc/87/56/37/567875637.db2.gz HIKAGBRTCZUEPS-UHFFFAOYSA-N 0 0 295.729 3.852 50 30 CHEARN CCN(C[C@@H](C)C#N)C(=O)Nc1c(C)cc(C)cc1C ZINC000072309796 567887400 /nfs/dbraw/zinc/88/74/00/567887400.db2.gz NOXJHDWSJREYMS-LBPRGKRZSA-N 0 0 273.380 3.625 50 30 CHEARN CC1(C)OC(C)(C)/C(=C\c2ccc(Cl)cc2)C1=O ZINC000004602437 567892596 /nfs/dbraw/zinc/89/25/96/567892596.db2.gz OMDWSHFCAAJUGZ-XFXZXTDPSA-N 0 0 264.752 3.880 50 30 CHEARN Cc1ccc(-c2cc3c(nn2)-c2ccccc2/C3=N/[O-])cc1 ZINC000013571668 567892614 /nfs/dbraw/zinc/89/26/14/567892614.db2.gz IJIAYHWULYKOIQ-UZYVYHOESA-N 0 0 287.322 3.659 50 30 CHEARN CN=C(NCc1csc(C(C)(C)C)n1)c1cccs1 ZINC000057991435 567895552 /nfs/dbraw/zinc/89/55/52/567895552.db2.gz USIFABFDHRFDGA-UHFFFAOYSA-N 0 0 293.461 3.668 50 30 CHEARN N#Cc1c(Cl)nsc1NCc1cc2ccccc2[nH]1 ZINC000058544060 567896029 /nfs/dbraw/zinc/89/60/29/567896029.db2.gz BNBNWJOMOCCIAV-UHFFFAOYSA-N 0 0 288.763 3.762 50 30 CHEARN COC(=O)CC1=C(C)C(=O)C[C@H]2C(C)(C)CCC[C@]12C ZINC000000034193 567904686 /nfs/dbraw/zinc/90/46/86/567904686.db2.gz YTAQULCZDXWXPY-WMLDXEAASA-N 0 0 278.392 3.671 50 30 biogenic CHEARN Cc1nccn1CCCCSc1ccccc1C#N ZINC000097230446 567905795 /nfs/dbraw/zinc/90/57/95/567905795.db2.gz BWXNXJYQIKDDMY-UHFFFAOYSA-N 0 0 271.389 3.636 50 30 CHEARN C=CCN(CC=C)c1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000000098714 567910621 /nfs/dbraw/zinc/91/06/21/567910621.db2.gz XMQGCHIKAUFRFN-LBPRGKRZSA-N 0 0 299.443 3.995 50 30 CHEARN Cc1cc(/C=N/c2ccc(Cl)cc2O)c(C)n1C ZINC000100206915 567912419 /nfs/dbraw/zinc/91/24/19/567912419.db2.gz XJMUMBSVRQOEJI-LZYBPNLTSA-N 0 0 262.740 3.752 50 30 CHEARN COC(=O)Nc1ccc(N=Cc2cccs2)cc1 ZINC000100312120 567912865 /nfs/dbraw/zinc/91/28/65/567912865.db2.gz IEPLOTOFZZSIRY-NTEUORMPSA-N 0 0 260.318 3.677 50 30 CHEARN CCCCCCCCCC(=O)OCc1cc(=O)c(O)co1 ZINC000101172395 567914642 /nfs/dbraw/zinc/91/46/42/567914642.db2.gz QTIUGCJXNKJRBK-UHFFFAOYSA-N 0 0 296.363 3.529 50 30 CHEARN CCC(Cl)=NOC(=O)Nc1cccc(Cl)c1 ZINC000100157236 567917294 /nfs/dbraw/zinc/91/72/94/567917294.db2.gz PHNMDUPGVSEIAM-NTEUORMPSA-N 0 0 261.108 3.851 50 30 CHEARN Cc1cc(C)c(O)c(/N=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000000243518 567925448 /nfs/dbraw/zinc/92/54/48/567925448.db2.gz CADSGXXDDBPQSN-CXUHLZMHSA-N 0 0 270.288 3.668 50 30 CHEARN Cc1sc(NC(=O)c2ccccc2C)c(C#N)c1C ZINC000000311610 567926708 /nfs/dbraw/zinc/92/67/08/567926708.db2.gz JALDCMPAGNRJTL-UHFFFAOYSA-N 0 0 270.357 3.797 50 30 CHEARN O/N=C/c1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000100468419 567927437 /nfs/dbraw/zinc/92/74/37/567927437.db2.gz IAPLKXUVLRMUMN-OVCLIPMQSA-N 0 0 264.737 3.694 50 30 CHEARN C=CCn1c(=S)[nH]nc1-c1ccc(C(C)C)cc1 ZINC000002526667 567930233 /nfs/dbraw/zinc/93/02/33/567930233.db2.gz PNTLJYXWEGOQAV-UHFFFAOYSA-N 0 0 259.378 3.917 50 30 CHEARN CCOC1=CC(=O)[C@@H]([C@@H](OC)C2([Si](C)(C)C)CC2)CC1 ZINC000169829325 567931379 /nfs/dbraw/zinc/93/13/79/567931379.db2.gz CPEKADFKQMEUQS-DZGCQCFKSA-N 0 0 296.483 3.773 50 30 CHEARN CC(=O)c1ccc(Oc2ncccc2C#N)c(Cl)c1 ZINC000120386781 567938567 /nfs/dbraw/zinc/93/85/67/567938567.db2.gz YPBWASXLSARXEX-UHFFFAOYSA-N 0 0 272.691 3.602 50 30 CHEARN Fc1ccc(/N=C/c2ccc(-n3ccnc3)cc2)cc1 ZINC000100939713 567939474 /nfs/dbraw/zinc/93/94/74/567939474.db2.gz GCBATEXUNWXEOY-YBFXNURJSA-N 0 0 265.291 3.762 50 30 CHEARN C=CCSc1nnc(-c2c[nH]c3ccccc23)n1CC ZINC000018126888 567940226 /nfs/dbraw/zinc/94/02/26/567940226.db2.gz QVBMIROITKEZAG-UHFFFAOYSA-N 0 0 284.388 3.724 50 30 CHEARN Cc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1C ZINC000000500700 567940467 /nfs/dbraw/zinc/94/04/67/567940467.db2.gz HRSNLYAEGLLXDT-UHFFFAOYSA-N 0 0 262.308 3.766 50 30 CHEARN CC(=O)C1=C(NC(=O)c2ccc(F)cc2)C[C@@H]2[C@H]1C2(C)C ZINC000101152778 567940691 /nfs/dbraw/zinc/94/06/91/567940691.db2.gz JMQYLHIUIYAORC-DTVFMSSWSA-N 0 0 287.334 3.915 50 30 CHEARN Cc1ccc(NC(=O)C(O)=CC(=O)c2ccccc2)cc1C ZINC000101355134 567940980 /nfs/dbraw/zinc/94/09/80/567940980.db2.gz NEXKNDSPDWHFCW-BOPFTXTBSA-N 0 0 295.338 3.567 50 30 CHEARN C=C(C)c1c(-c2ccc(OC)cc2)noc1C(C)(C)O ZINC000004344219 567944627 /nfs/dbraw/zinc/94/46/27/567944627.db2.gz MUEXSRIIZSLKIK-UHFFFAOYSA-N 0 0 273.332 3.611 50 30 CHEARN Cc1ccc(C)c(C(=O)C=CNc2ccc(C#N)cc2)c1 ZINC000044844434 567946024 /nfs/dbraw/zinc/94/60/24/567946024.db2.gz IBKQPDDYKNBSPS-MDZDMXLPSA-N 0 0 276.339 3.984 50 30 CHEARN Cc1ccc(C)c(C(=O)C=CNc2cccc(C#N)c2)c1 ZINC000044844429 567946026 /nfs/dbraw/zinc/94/60/26/567946026.db2.gz LFLOEKWTEBENDD-CMDGGOBGSA-N 0 0 276.339 3.984 50 30 CHEARN COc1ccc(/C=C2/CCc3cc(OC)ccc3C2=O)cc1 ZINC000012368760 567948592 /nfs/dbraw/zinc/94/85/92/567948592.db2.gz KZEFPCJXJJHUOS-PTNGSMBKSA-N 0 0 294.350 3.916 50 30 CHEARN Cc1ccc(C[C@@H](C#N)Sc2ccc(Cl)nn2)cc1 ZINC000225442520 567953635 /nfs/dbraw/zinc/95/36/35/567953635.db2.gz MZFAQJHLMXJFKB-LBPRGKRZSA-N 0 0 289.791 3.665 50 30 CHEARN CCCCCCCOS(=O)(=O)c1ccc(C)cc1 ZINC000002522829 570215208 /nfs/dbraw/zinc/21/52/08/570215208.db2.gz BQPVBPLMUCJNOX-UHFFFAOYSA-N 0 0 270.394 3.671 50 30 CHEARN Cc1cc(SCC#N)c2cc(Br)ccc2n1 ZINC000014807657 570224835 /nfs/dbraw/zinc/22/48/35/570224835.db2.gz ZJHDOHVPXQRLEL-UHFFFAOYSA-N 0 0 293.189 3.921 50 30 CHEARN CC(C)(C#N)c1ccc(NC(=O)c2ccc[nH]c2=S)cc1 ZINC000025439718 570230601 /nfs/dbraw/zinc/23/06/01/570230601.db2.gz UPQIIKUGOFFIKX-UHFFFAOYSA-N 0 0 297.383 3.798 50 30 CHEARN Cc1cc(C(=O)Nc2ccc(OCC#N)cc2)c(C)s1 ZINC000025915530 570231405 /nfs/dbraw/zinc/23/14/05/570231405.db2.gz JWUWNFIRHLRWEX-UHFFFAOYSA-N 0 0 286.356 3.520 50 30 CHEARN Oc1cccc(/N=C/c2cc(Br)ccc2O)c1 ZINC000100463427 570258861 /nfs/dbraw/zinc/25/88/61/570258861.db2.gz STRJPBTXRHDIKD-OVCLIPMQSA-N 0 0 292.132 3.611 50 30 CHEARN COc1ccc(/C=C\C(=O)c2cccs2)cc1OC ZINC000033417228 570262293 /nfs/dbraw/zinc/26/22/93/570262293.db2.gz FLHBTIDYDRABCO-ALCCZGGFSA-N 0 0 274.341 3.661 50 30 CHEARN CN1c2ccccc2S/C1=C/C(=O)c1ccco1 ZINC000100290536 570266787 /nfs/dbraw/zinc/26/67/87/570266787.db2.gz QFMMCZYCLQDQGW-NTEUORMPSA-N 0 0 257.314 3.546 50 30 CHEARN O=C(C1=C(O)C(=Cc2cccc(O)c2)CCC1)C(F)(F)F ZINC000000479730 570277777 /nfs/dbraw/zinc/27/77/77/570277777.db2.gz HHAHQKPPDRWHNC-ZHMDIZEESA-N 0 0 298.260 3.903 50 30 CHEARN COc1ccc(-c2c3c([nH]c(=S)c2C#N)CCC3)cc1 ZINC000000495569 570283151 /nfs/dbraw/zinc/28/31/51/570283151.db2.gz IVCIQZKVLKGZAG-UHFFFAOYSA-N 0 0 282.368 3.780 50 30 CHEARN N#Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000000555471 570287721 /nfs/dbraw/zinc/28/77/21/570287721.db2.gz OSYLUNXPTOZRQS-UHFFFAOYSA-N 0 0 250.276 3.700 50 30 CHEARN Cc1ccc(C)c(N[C@@H](C)C(=O)Nc2sccc2C#N)c1 ZINC000028758212 570325225 /nfs/dbraw/zinc/32/52/25/570325225.db2.gz QCEBKTMJMXGGTJ-LBPRGKRZSA-N 0 0 299.399 3.676 50 30 CHEARN Cc1ccccc1/C=C\C(=O)c1ccccc1N(C)C ZINC000004531834 570332018 /nfs/dbraw/zinc/33/20/18/570332018.db2.gz DTSZCKLSODVEFH-SEYXRHQNSA-N 0 0 265.356 3.957 50 30 CHEARN C=CCc1cc2oc(-c3ccccc3)cc(=O)c2cc1O ZINC000075172827 570332775 /nfs/dbraw/zinc/33/27/75/570332775.db2.gz FZNDGLHNTNGOIS-UHFFFAOYSA-N 0 0 278.307 3.894 50 30 biogenic CHEARN C=CCc1cc(C(=O)Nc2ccc(F)cc2)ccc1OC ZINC000014397389 570340656 /nfs/dbraw/zinc/34/06/56/570340656.db2.gz CPMBJMKYDWGKRY-UHFFFAOYSA-N 0 0 285.318 3.815 50 30 CHEARN CCN(C[C@@H](C)C#N)C(=O)Nc1cc(C)cc2cccnc21 ZINC000092146588 570355553 /nfs/dbraw/zinc/35/55/53/570355553.db2.gz XZQSDXOFMKDKLR-ZDUSSCGKSA-N 0 0 296.374 3.557 50 30 CHEARN CCC(CC)CN(CCC#N)C(=O)Cc1ccc(F)cc1 ZINC000075583914 570356343 /nfs/dbraw/zinc/35/63/43/570356343.db2.gz KLTWVKBZETTZMP-UHFFFAOYSA-N 0 0 290.382 3.547 50 30 CHEARN CC(C)(C#N)c1ccccc1COc1ccc(CO)cc1 ZINC000089620895 570366980 /nfs/dbraw/zinc/36/69/80/570366980.db2.gz YKJFCDFVZJWBNC-UHFFFAOYSA-N 0 0 281.355 3.559 50 30 CHEARN CN/N=C1\CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C ZINC000252448900 570374284 /nfs/dbraw/zinc/37/42/84/570374284.db2.gz SBVFQTNRIXLYNI-DNNUAVPBSA-N 0 0 298.430 3.824 50 30 CHEARN N#Cc1cn(CCCOc2ccccc2)c2ccccc12 ZINC000002177170 570375161 /nfs/dbraw/zinc/37/51/61/570375161.db2.gz AGPINAKWCPQLMO-UHFFFAOYSA-N 0 0 276.339 3.982 50 30 CHEARN CCOc1ccccc1C=Nc1nc2ccccc2n1C ZINC000252644114 570377887 /nfs/dbraw/zinc/37/78/87/570377887.db2.gz ZZKBVIZOPXBDJU-UHFFFAOYSA-N 0 0 279.343 3.723 50 30 CHEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1OC ZINC000000214573 570382515 /nfs/dbraw/zinc/38/25/15/570382515.db2.gz GAWLBBIQPOSEMR-RVDMUPIBSA-N 0 0 294.350 3.916 50 30 CHEARN Cc1cc(C)c(C#N)c(SCc2ccccc2C#N)n1 ZINC000000096397 570386490 /nfs/dbraw/zinc/38/64/90/570386490.db2.gz NHVWLUSKXQFCLF-UHFFFAOYSA-N 0 0 279.368 3.734 50 30 CHEARN Cc1c(-c2ccccc2)nnn1-c1cccc(Cl)c1C#N ZINC000000140564 570386816 /nfs/dbraw/zinc/38/68/16/570386816.db2.gz MTKQVWMPQBJDKY-UHFFFAOYSA-N 0 0 294.745 3.768 50 30 CHEARN N#Cc1ccc(Oc2ccc(Cl)cc2)cc1C#N ZINC000000186561 570387159 /nfs/dbraw/zinc/38/71/59/570387159.db2.gz XNIZTIUZSWYUKC-UHFFFAOYSA-N 0 0 254.676 3.876 50 30 CHEARN Cc1nnc(Oc2cccc(C#N)c2)c2ccccc12 ZINC000012870584 570390197 /nfs/dbraw/zinc/39/01/97/570390197.db2.gz IYCKRODRXXYICO-UHFFFAOYSA-N 0 0 261.284 3.602 50 30 CHEARN Cc1sc(NC(=O)[C@H]2CC=CCC2)c(C#N)c1C ZINC000013015169 570391082 /nfs/dbraw/zinc/39/10/82/570391082.db2.gz AOABKQAUTAYAND-NSHDSACASA-N 0 0 260.362 3.531 50 30 CHEARN Cc1cccc(/C=C2\Cc3c(cccc3O)C2=O)c1 ZINC000011335977 570393794 /nfs/dbraw/zinc/39/37/94/570393794.db2.gz CGLJVTGKDOGMRD-UKTHLTGXSA-N 0 0 250.297 3.523 50 30 CHEARN N#C[C@@H](C(=O)c1ccsc1)c1ccc(C(F)(F)F)cn1 ZINC000041554547 570404179 /nfs/dbraw/zinc/40/41/79/570404179.db2.gz YWGZYVKYFDXTOW-SNVBAGLBSA-N 0 0 296.273 3.652 50 30 CHEARN Cc1cccc(C)c1NC(=S)NN=Cc1ccsc1 ZINC000263630945 1125583795 /nfs/dbraw/zinc/58/37/95/1125583795.db2.gz KKUVJUMVSQXHMS-UHFFFAOYSA-N 0 0 289.429 3.685 50 30 CHEARN CCOc1ccccc1/C=C1/Cc2c(cccc2O)C1=O ZINC000082065891 1126754903 /nfs/dbraw/zinc/75/49/03/1126754903.db2.gz WOAFEOWKXYUIBD-RAXLEYEMSA-N 0 0 280.323 3.613 50 30 CHEARN Cc1ccc2c(c1)C(=NOCc1ccccc1)C(=O)N2 ZINC000011102800 1127766590 /nfs/dbraw/zinc/76/65/90/1127766590.db2.gz PLAILGFJVQLLAO-UHFFFAOYSA-N 0 0 266.300 3.518 50 30 CHEARN COc1ccc(Cl)cc1NCc1ccc(C#N)cc1 ZINC000000923771 1128102567 /nfs/dbraw/zinc/10/25/67/1128102567.db2.gz JJURGSXLZFWGRX-UHFFFAOYSA-N 0 0 272.735 3.832 50 30 CHEARN Clc1ccc(Oc2cccc(C=Nn3cnnc3)c2)cc1 ZINC000004164247 1128374839 /nfs/dbraw/zinc/37/48/39/1128374839.db2.gz RAPYCYNSEAIRJF-UHFFFAOYSA-N 0 0 298.733 3.606 50 30 CHEARN COc1cc(C(=O)/C=C\c2ccc(C)cc2)ccc1O ZINC000097993511 1120086814 /nfs/dbraw/zinc/08/68/14/1120086814.db2.gz KDCLWYQQWHARDU-CLFYSBASSA-N 0 0 268.312 3.605 50 30 CHEARN CCNc1oc(-c2cccc3ccccc32)nc1C#N ZINC000000615084 1120190283 /nfs/dbraw/zinc/19/02/83/1120190283.db2.gz IGZOETULBZWTBX-UHFFFAOYSA-N 0 0 263.300 3.798 50 30 CHEARN Cc1cc(N2CC[C@H](C)C2)n2c3ccccc3nc2c1C#N ZINC000075582061 1120262134 /nfs/dbraw/zinc/26/21/34/1120262134.db2.gz PETYTAHXYHZKKT-LBPRGKRZSA-N 0 0 290.370 3.514 50 30 CHEARN Cc1[nH]c2ccccc2c1C(=O)/C=C/c1cccnc1 ZINC000004007024 1120289872 /nfs/dbraw/zinc/28/98/72/1120289872.db2.gz KAXQTHWJCHIZSB-CMDGGOBGSA-N 0 0 262.312 3.767 50 30 CHEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C)on1 ZINC000045603431 1120763469 /nfs/dbraw/zinc/76/34/69/1120763469.db2.gz LFJCTKDSHYTSCY-UHFFFAOYSA-N 0 0 296.779 3.526 50 30 CHEARN C[C@]1(C#N)CCCN(Cc2[nH]c3ccccc3c2Cl)C1 ZINC000670449176 1121029624 /nfs/dbraw/zinc/02/96/24/1121029624.db2.gz HWOHCAOQSQYYSH-MRXNPFEDSA-N 0 0 287.794 3.947 50 30 CHEARN Cc1ccc(C(=O)C=C(O)C(=O)c2ccc(C)cc2)cc1 ZINC000106903977 1121054868 /nfs/dbraw/zinc/05/48/68/1121054868.db2.gz ZIMYAQKABUYSPW-GZTJUZNOSA-N 0 0 280.323 3.811 50 30 CHEARN C=C1CCC(NC(=O)c2nc3ccccc3s2)CC1 ZINC000618256421 1121701609 /nfs/dbraw/zinc/70/16/09/1121701609.db2.gz HWZFGNQMYVBYQJ-UHFFFAOYSA-N 0 0 272.373 3.525 50 30 CHEARN N#Cc1cccc(C(=O)Nc2cccc3c2CCCC3)c1 ZINC000015315550 1122815291 /nfs/dbraw/zinc/81/52/91/1122815291.db2.gz ADXFGOUBGMVZRN-UHFFFAOYSA-N 0 0 276.339 3.689 50 30 CHEARN COc1cccc(/C=N/[C@H](C)c2sc(C)nc2C)c1O ZINC000102140609 1124678711 /nfs/dbraw/zinc/67/87/11/1124678711.db2.gz SXPTXZISOCMZTL-PTPOTIKZSA-N 0 0 290.388 3.654 50 30 CHEARN COc1cccc(/C=C\C(=O)/C=C\c2ccc(C#N)cc2)c1 ZINC000097996514 1129637041 /nfs/dbraw/zinc/63/70/41/1129637041.db2.gz MQEDKELWTMAMRP-HWAYABPNSA-N 0 0 289.334 3.863 50 30 CHEARN CCOc1cccc(/C=C\C(=O)c2ccc3c(c2)OCO3)c1 ZINC000098008553 1129638290 /nfs/dbraw/zinc/63/82/90/1129638290.db2.gz FJHHNSVGVCGGEM-VURMDHGXSA-N 0 0 296.322 3.710 50 30 CHEARN CC(=O)Nc1ccc(C(=O)/C=C\c2cccs2)cc1 ZINC000098006592 1129638387 /nfs/dbraw/zinc/63/83/87/1129638387.db2.gz QHJJXKQSCIFPAM-HJWRWDBZSA-N 0 0 271.341 3.603 50 30 CHEARN O=C(/C=C\c1cccc2c1OCO2)c1ccc(Cl)cc1 ZINC000098008531 1129638449 /nfs/dbraw/zinc/63/84/49/1129638449.db2.gz ZTCIEKFXSXQJGY-TWGQIWQCSA-N 0 0 286.714 3.965 50 30 CHEARN Cc1ccc(C(=O)/C=C\c2cc(O)c(O)c(Cl)c2)cc1 ZINC000098053871 1129642302 /nfs/dbraw/zinc/64/23/02/1129642302.db2.gz BBMJGRZLURKUHQ-DAXSKMNVSA-N 0 0 288.730 3.956 50 30 CHEARN C[C@@H](CN=Nc1nc2ccccc2[nH]1)c1ccccc1 ZINC000254412183 1129693563 /nfs/dbraw/zinc/69/35/63/1129693563.db2.gz LBGQVLARMMBDQC-LBPRGKRZSA-N 0 0 264.332 3.764 50 30 CHEARN CCCCc1[nH]nc2c1C(=NO)C[C@H](c1ccccc1)C2 ZINC000254704535 1129705814 /nfs/dbraw/zinc/70/58/14/1129705814.db2.gz CISOEJCXHMYFBI-CYBMUJFWSA-N 0 0 283.375 3.661 50 30 CHEARN C[C@H]1CCC[C@H](C)N1N=Cc1cccc(Cl)c1 ZINC000254825807 1129711615 /nfs/dbraw/zinc/71/16/15/1129711615.db2.gz PWCKHGFTIOCEAT-RYUDHWBXSA-N 0 0 250.773 3.937 50 30 CHEARN CC(=NOCc1ccccc1)c1nc2ccccc2n1C ZINC000254825953 1129711634 /nfs/dbraw/zinc/71/16/34/1129711634.db2.gz AUZGIVBXNLXASH-UHFFFAOYSA-N 0 0 279.343 3.514 50 30 CHEARN C=C1CCC(NC(=O)CCc2sccc2C)CC1 ZINC000667618503 1130677007 /nfs/dbraw/zinc/67/70/07/1130677007.db2.gz GZQKDEGFTWBOMC-UHFFFAOYSA-N 0 0 263.406 3.604 50 30 CHEARN COc1ccc(F)c(NCC(C)(C)CCC#N)c1 ZINC000095978159 185051871 /nfs/dbraw/zinc/05/18/71/185051871.db2.gz CBSLVWSQBHWWIT-UHFFFAOYSA-N 0 0 250.317 3.576 50 30 CHEARN C[C@@H](NCC#N)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000095984454 185054762 /nfs/dbraw/zinc/05/47/62/185054762.db2.gz VLUURUFJXSEKMG-CYBMUJFWSA-N 0 0 294.358 3.505 50 30 CHEARN C=C(Br)CN[C@H](CCC#N)c1ccccc1 ZINC000095986031 185056653 /nfs/dbraw/zinc/05/66/53/185056653.db2.gz HSVNCFLMEGDSBE-CYBMUJFWSA-N 0 0 279.181 3.530 50 30 CHEARN C#CCCCCCOC(=O)c1ccc2ncccc2c1 ZINC000095997375 185060918 /nfs/dbraw/zinc/06/09/18/185060918.db2.gz YLECZLARNSWYHR-UHFFFAOYSA-N 0 0 267.328 3.585 50 30 CHEARN C#CC[C@@H](C)OC(=O)c1nc(C)sc1-c1ccccc1 ZINC000095997426 185061070 /nfs/dbraw/zinc/06/10/70/185061070.db2.gz OGLVNIVNOSBVGS-LLVKDONJSA-N 0 0 285.368 3.687 50 30 CHEARN Cc1ccc(/C=C\C(=O)c2ccc(C#N)cc2)s1 ZINC000096766315 185112298 /nfs/dbraw/zinc/11/22/98/185112298.db2.gz HIMFCAVCFVMKGB-HJWRWDBZSA-N 0 0 253.326 3.824 50 30 CHEARN Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(O)c(O)c1)CC2 ZINC000096767050 185112322 /nfs/dbraw/zinc/11/23/22/185112322.db2.gz PUILQDYIHMDXGN-ZROIWOOFSA-N 0 0 294.350 3.927 50 30 CHEARN O=C(/C=C\c1ccc(F)c(F)c1)c1ccc(O)cc1 ZINC000096766227 185112336 /nfs/dbraw/zinc/11/23/36/185112336.db2.gz WXNYDNZGTWPJEY-WAPJZHGLSA-N 0 0 260.239 3.567 50 30 CHEARN COc1cc(C(=O)/C=C\c2ccccc2Cl)ccc1O ZINC000096792743 185114483 /nfs/dbraw/zinc/11/44/83/185114483.db2.gz NIHNZOGKXLNJOY-VURMDHGXSA-N 0 0 288.730 3.950 50 30 CHEARN C[C@H](c1cccs1)N(C)C(=O)/C=C\c1ccccc1C#N ZINC000096793792 185114598 /nfs/dbraw/zinc/11/45/98/185114598.db2.gz WUHLTOQYPZDRAB-ASCRHOAZSA-N 0 0 296.395 3.853 50 30 CHEARN C[C@@H](c1ccccc1)N(C)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000096858985 185117186 /nfs/dbraw/zinc/11/71/86/185117186.db2.gz QDLABUQOVVUGAM-LLNWESEBSA-N 0 0 290.366 3.791 50 30 CHEARN Cc1cn2c(/C=C\C(=O)c3ccccc3)c(C)nc2s1 ZINC000096930319 185132076 /nfs/dbraw/zinc/13/20/76/185132076.db2.gz VUGVWGSTJQDYPL-HJWRWDBZSA-N 0 0 282.368 3.909 50 30 CHEARN CC(C)Cc1ccc(C(=O)/C=C\c2cnn(C)c2)cc1 ZINC000096939692 185132825 /nfs/dbraw/zinc/13/28/25/185132825.db2.gz RZWLLHRYPNTDGN-TWGQIWQCSA-N 0 0 268.360 3.515 50 30 CHEARN COc1ccc2cc(/C=C3/Cn4cccc4C3=O)ccc2c1 ZINC000096941991 185133914 /nfs/dbraw/zinc/13/39/14/185133914.db2.gz AAQYVKDUWSEBSZ-YBEGLDIGSA-N 0 0 289.334 3.930 50 30 CHEARN COc1ccc(F)cc1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000096973242 185143933 /nfs/dbraw/zinc/14/39/33/185143933.db2.gz QUMATGUQKLBBGX-VURMDHGXSA-N 0 0 281.286 3.602 50 30 CHEARN COc1cccc(/N=C\c2c[nH]c3ccccc23)c1 ZINC000100369585 185713856 /nfs/dbraw/zinc/71/38/56/185713856.db2.gz DCPWMQVQFZFQFQ-YVLHZVERSA-N 0 0 250.301 3.927 50 30 biogenic CHEARN CCCCCCCCCCCC[C@@H](O)C(=O)OC ZINC000085913279 179198097 /nfs/dbraw/zinc/19/80/97/179198097.db2.gz ATFSJSYRBAGGIS-CQSZACIVSA-N 0 0 258.402 3.831 50 30 CHEARN O=C1CC(=O)CC(c2ccc(C(F)(F)F)cc2)C1 ZINC000091696144 180229277 /nfs/dbraw/zinc/22/92/77/180229277.db2.gz GBQFDYLJNZTZOS-SECBINFHSA-N 0 0 256.223 3.594 50 30 CHEARN Cc1cccc2ncnc(NCc3cc(C#N)ccc3F)c12 ZINC000170652385 188681421 /nfs/dbraw/zinc/68/14/21/188681421.db2.gz JRJDLOQXUHTAIN-UHFFFAOYSA-N 0 0 292.317 3.561 50 30 CHEARN N#Cc1cccc(C[S@@](=O)Cc2ccccc2Cl)c1 ZINC000188277390 189496976 /nfs/dbraw/zinc/49/69/76/189496976.db2.gz JYCJYGYBRDJBSH-LJQANCHMSA-N 0 0 289.787 3.661 50 30 CHEARN COc1ccccc1-c1ccc(-c2cccc(C#N)c2)nn1 ZINC000215205117 189692336 /nfs/dbraw/zinc/69/23/36/189692336.db2.gz BJIWLSWCQZGKRG-UHFFFAOYSA-N 0 0 287.322 3.691 50 30 CHEARN N#Cc1ccc(OCC(=O)c2ccc3ccccc3c2)cc1 ZINC000002640840 169817109 /nfs/dbraw/zinc/81/71/09/169817109.db2.gz SNKPAQYPTGCGOS-UHFFFAOYSA-N 0 0 287.318 3.973 50 30 CHEARN FC(F)(F)Oc1ccc(/N=C/c2ccc[nH]2)cc1 ZINC000000046096 169516467 /nfs/dbraw/zinc/51/64/67/169516467.db2.gz XUIVQDHFMGMMRH-CAOOACKPSA-N 0 0 254.211 3.664 50 30 CHEARN COc1cccc(/N=C/c2ccc(N(C)C)cc2)c1 ZINC000000066025 169524197 /nfs/dbraw/zinc/52/41/97/169524197.db2.gz RUMOKUKKDWIUJO-SFQUDFHCSA-N 0 0 254.333 3.512 50 30 CHEARN COc1ccc(/C=N/c2c[nH]c3ccccc23)c(OC)c1 ZINC000000107251 169538315 /nfs/dbraw/zinc/53/83/15/169538315.db2.gz JIDPWBKJNKOAOY-VCHYOVAHSA-N 0 0 280.327 3.936 50 30 CHEARN CSc1c(C#N)c(-c2cc(C(C)(C)C)oc2C)nn1C ZINC000000114435 169540703 /nfs/dbraw/zinc/54/07/03/169540703.db2.gz QRZFQFKTOMFEJX-UHFFFAOYSA-N 0 0 289.404 3.880 50 30 CHEARN N#Cc1c(F)cccc1NCc1ccc(Cl)cc1 ZINC000000139171 169550976 /nfs/dbraw/zinc/55/09/76/169550976.db2.gz AMJLOWAVLLEHPS-UHFFFAOYSA-N 0 0 260.699 3.963 50 30 CHEARN COc1ccc(Cl)cc1/C=C1\N=C(SC)SC1=O ZINC000000199454 169571866 /nfs/dbraw/zinc/57/18/66/169571866.db2.gz QODVTZATZJRKGB-TWGQIWQCSA-N 0 0 299.804 3.682 50 30 CHEARN Cc1cc(C)cc(/N=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000000261132 169590303 /nfs/dbraw/zinc/59/03/03/169590303.db2.gz RYSDSTOCXZQMJL-MHWRWJLKSA-N 0 0 254.289 3.962 50 30 CHEARN C[C@H]1C[C@H](C)CN(c2oc(-c3ccc(F)cc3)nc2C#N)C1 ZINC000000468157 169648638 /nfs/dbraw/zinc/64/86/38/169648638.db2.gz YNFGTUCWIRQEKB-RYUDHWBXSA-N 0 0 299.349 3.835 50 30 CHEARN N#CC1(c2ccc(-c3cncc(N)c3)cc2)CCCC1 ZINC000096136762 256882907 /nfs/dbraw/zinc/88/29/07/256882907.db2.gz BIHSRPXFCUFEIX-UHFFFAOYSA-N 0 0 263.344 3.666 50 30 CHEARN CC(=O)NCc1ccc(C(=O)/C=C/c2ccc(C)cc2)s1 ZINC000009219093 260035372 /nfs/dbraw/zinc/03/53/72/260035372.db2.gz NOVTWWXZMGSWOF-VQHVLOKHSA-N 0 0 299.395 3.589 50 30 CHEARN CCC(=O)[C@H](C#N)[C@@H](c1ccco1)c1ccccc1OC ZINC000000546238 169665643 /nfs/dbraw/zinc/66/56/43/169665643.db2.gz YCRNBNOENAWLRS-GUYCJALGSA-N 0 0 283.327 3.539 50 30 CHEARN C[C@H]1CCc2c(C#N)c(NC(=O)C(C)(C)C)sc2C1 ZINC000000570347 169670178 /nfs/dbraw/zinc/67/01/78/169670178.db2.gz YCKHYXLLWWZYJB-VIFPVBQESA-N 0 0 276.405 3.729 50 30 CHEARN C=CCOC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl ZINC000002027910 169769105 /nfs/dbraw/zinc/76/91/05/169769105.db2.gz UYCHZVLKYFGKFW-UHFFFAOYSA-N 0 0 290.702 3.755 50 30 CHEARN Cc1cc(C)cc(/N=C/c2ccc3c(c2)OCO3)c1 ZINC000002164439 169778063 /nfs/dbraw/zinc/77/80/63/169778063.db2.gz CPQQHOAJFCXMBG-RQZCQDPDSA-N 0 0 253.301 3.783 50 30 CHEARN C#CCSc1nnc(-c2cccc3ccccc32)o1 ZINC000002405758 169791201 /nfs/dbraw/zinc/79/12/01/169791201.db2.gz AOASDPSVRLZCDT-UHFFFAOYSA-N 0 0 266.325 3.615 50 30 CHEARN S=C1N=NC(C2CCCCC2)N1N=Cc1cccs1 ZINC000002700083 169821155 /nfs/dbraw/zinc/82/11/55/169821155.db2.gz NRQAYODBARNDDA-NTEUORMPSA-N 0 0 292.433 3.558 50 30 CHEARN COc1ccc(Cl)cc1NC=C1CCCCC1=O ZINC000002826946 169835068 /nfs/dbraw/zinc/83/50/68/169835068.db2.gz KVQDBMAEXDXDMA-KTKRTIGZSA-N 0 0 265.740 3.788 50 30 CHEARN COc1ccc(O)c(/C=N/CCc2c[nH]c3ccccc23)c1 ZINC000003129785 169858673 /nfs/dbraw/zinc/85/86/73/169858673.db2.gz UCCBJYIBVULASF-YBFXNURJSA-N 0 0 294.354 3.544 50 30 CHEARN CSc1ccc(/C=C/C(=O)c2cccc(N)c2)cc1 ZINC000004181506 169941688 /nfs/dbraw/zinc/94/16/88/169941688.db2.gz MGWUMZFAYGKELJ-JXMROGBWSA-N 0 0 269.369 3.887 50 30 CHEARN Clc1ccc(CN=Nc2ncnc3ccccc32)cc1 ZINC000004536913 169979170 /nfs/dbraw/zinc/97/91/70/169979170.db2.gz WIZGHVHTTJMOKR-DJKKODMXSA-N 0 0 282.734 3.729 50 30 CHEARN CCSc1ccc(C(=O)Nc2sccc2C#N)cc1 ZINC000004585862 169987117 /nfs/dbraw/zinc/98/71/17/169987117.db2.gz RPBAUPMTZXUXBV-UHFFFAOYSA-N 0 0 288.397 3.984 50 30 CHEARN CCN1c2ccccc2S/C1=C\C(=O)c1ccco1 ZINC000004601027 169988722 /nfs/dbraw/zinc/98/87/22/169988722.db2.gz YHHNGOUUJHVMAA-GDNBJRDFSA-N 0 0 271.341 3.936 50 30 CHEARN CC(C)(C)c1csc(N=NCc2ccccc2O)n1 ZINC000004616634 169990254 /nfs/dbraw/zinc/99/02/54/169990254.db2.gz YRMKBKRHTFNDRL-OVCLIPMQSA-N 0 0 275.377 3.592 50 30 CHEARN C=CCN(CC=C)C(=O)/C=C/c1ccc(Cl)cc1 ZINC000004702920 170001789 /nfs/dbraw/zinc/00/17/89/170001789.db2.gz GDOUIYNWSHFJPP-JXMROGBWSA-N 0 0 261.752 3.554 50 30 CHEARN O=C(C1=C(O)C(=Cc2ccc(O)cc2)CCC1)C(F)(F)F ZINC000004705521 170002517 /nfs/dbraw/zinc/00/25/17/170002517.db2.gz WJMPXEAGGXTQMC-ZNUXKPFCSA-N 0 0 298.260 3.903 50 30 CHEARN CN(C)c1ccc(C(=O)/C(F)=C/c2ccccc2)cc1 ZINC000004718298 170004999 /nfs/dbraw/zinc/00/49/99/170004999.db2.gz SYSXNPOGGDIXBV-VBKFSLOCSA-N 0 0 269.319 3.946 50 30 CHEARN CSC1=N/C(=C\c2ccccc2Cl)C(=O)S1 ZINC000004755189 170011758 /nfs/dbraw/zinc/01/17/58/170011758.db2.gz HHSPTGARYZTCLY-TWGQIWQCSA-N 0 0 269.778 3.673 50 30 CHEARN O=C(/C=C/c1ccc(Br)o1)c1ccccc1 ZINC000004755679 170012664 /nfs/dbraw/zinc/01/26/64/170012664.db2.gz FKAVUSVUFAQHJR-SOFGYWHQSA-N 0 0 277.117 3.938 50 30 CHEARN N#C[C@H](c1cn2cc(Cl)ccc2n1)c1ccccc1 ZINC000004809919 170020403 /nfs/dbraw/zinc/02/04/03/170020403.db2.gz OSSYNAWLXFINRU-ZDUSSCGKSA-N 0 0 267.719 3.643 50 30 CHEARN N#Cc1ccc(OCc2ccccc2Br)cc1 ZINC000004828598 170024847 /nfs/dbraw/zinc/02/48/47/170024847.db2.gz XWPNRRLPTICAKE-UHFFFAOYSA-N 0 0 288.144 3.900 50 30 CHEARN C=CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000004869822 170034851 /nfs/dbraw/zinc/03/48/51/170034851.db2.gz ZHXYUAKOSAIJLV-AWEZNQCLSA-N 0 0 281.355 3.742 50 30 CHEARN Cc1cc(C)c2c(C#N)c3nc4ccccc4nc3n2c1 ZINC000004952933 170044962 /nfs/dbraw/zinc/04/49/62/170044962.db2.gz AQCPKEVAIDTMDB-UHFFFAOYSA-N 0 0 272.311 3.524 50 30 CHEARN O=[N+]([O-])c1ccc(NN=Cc2c[nH]c3ccccc23)cc1 ZINC000004955565 170045155 /nfs/dbraw/zinc/04/51/55/170045155.db2.gz SZXLLFMXEKZWSA-LICLKQGHSA-N 0 0 280.287 3.522 50 30 CHEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(Br)cc2)o1 ZINC000004991566 170051265 /nfs/dbraw/zinc/05/12/65/170051265.db2.gz DHLJUPXEESUWIU-NTUHNPAUSA-N 0 0 295.092 3.701 50 30 CHEARN COC(=O)c1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 ZINC000005068323 170063304 /nfs/dbraw/zinc/06/33/04/170063304.db2.gz POMIMGJTJRPWKN-NYYWCZLTSA-N 0 0 284.286 3.508 50 30 CHEARN CCc1ccc(/C=C/C(=O)c2ccc(O)c(OC)c2)cc1 ZINC000005156319 170071763 /nfs/dbraw/zinc/07/17/63/170071763.db2.gz LXYQEPMMBPXJPR-CSKARUKUSA-N 0 0 282.339 3.859 50 30 CHEARN CO/N=C1\C[C@H](C)Cc2nnc(-c3ccc(F)c(C)c3)cc21 ZINC000005212287 170076746 /nfs/dbraw/zinc/07/67/46/170076746.db2.gz CUSRGEAFLNBMJW-GVLHCBDOSA-N 0 0 299.349 3.524 50 30 CHEARN O=C(/C=C/c1ccc(N2N=N2)cc1)c1ccc(N2N=N2)cc1 ZINC000005252460 170080173 /nfs/dbraw/zinc/08/01/73/170080173.db2.gz BSXRSQHMIDOVCY-XCVCLJGOSA-N 0 0 290.286 3.787 50 30 CHEARN COc1cccc(/C=N/Cc2ccccc2Cl)c1O ZINC000005287501 170083115 /nfs/dbraw/zinc/08/31/15/170083115.db2.gz KBCPAWBAJZWROU-LICLKQGHSA-N 0 0 275.735 3.673 50 30 CHEARN COc1cc(C#N)ccc1OCc1ccccc1Cl ZINC000005473654 170102658 /nfs/dbraw/zinc/10/26/58/170102658.db2.gz MQBVQOBHISGEQP-UHFFFAOYSA-N 0 0 273.719 3.799 50 30 CHEARN C=CCOc1c(C)n(-c2ccccc2)nc1C(F)(F)F ZINC000005531038 170109598 /nfs/dbraw/zinc/10/95/98/170109598.db2.gz SQFPEPBZLHPXJA-UHFFFAOYSA-N 0 0 282.265 3.764 50 30 CHEARN C=C(C)CN(CC)C(=S)Nc1c(C)cccc1C ZINC000005560709 170113654 /nfs/dbraw/zinc/11/36/54/170113654.db2.gz PBNFTPJCBXFQRD-UHFFFAOYSA-N 0 0 262.422 3.898 50 30 CHEARN C[C@@H]1CC(=O)C=C(Nc2ccccc2Br)C1 ZINC000005587062 170116780 /nfs/dbraw/zinc/11/67/80/170116780.db2.gz RDQSPFDYPQPHMZ-VIFPVBQESA-N 0 0 280.165 3.744 50 30 CHEARN Cc1nnc(SCc2ccc(C#N)cc2Cl)s1 ZINC000005669906 170125892 /nfs/dbraw/zinc/12/58/92/170125892.db2.gz ITSTWLJUPKWCRV-UHFFFAOYSA-N 0 0 281.793 3.664 50 30 CHEARN Cc1ccc(NC(=S)Nc2ccccc2C#N)cc1 ZINC000005689462 170129789 /nfs/dbraw/zinc/12/97/89/170129789.db2.gz IKXXHEKRZXAMJA-UHFFFAOYSA-N 0 0 267.357 3.676 50 30 CHEARN CCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O ZINC000005824674 170144548 /nfs/dbraw/zinc/14/45/48/170144548.db2.gz XUPIZZLVOIGTDI-YBEGLDIGSA-N 0 0 294.306 3.618 50 30 biogenic CHEARN COc1ccc(C)cc1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000005895393 170151327 /nfs/dbraw/zinc/15/13/27/170151327.db2.gz KDRCRTOCECXYBY-UHFFFAOYSA-N 0 0 283.287 3.527 50 30 CHEARN CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#N)CC[C@@H]21 ZINC000005903206 170152398 /nfs/dbraw/zinc/15/23/98/170152398.db2.gz OCCKPAXCEIDZSF-DUVNUKRYSA-N 0 0 257.333 3.608 50 30 biogenic CHEARN CCc1c(C)sc(NC(=O)c2ccoc2C)c1C#N ZINC000006122914 170177635 /nfs/dbraw/zinc/17/76/35/170177635.db2.gz FOJBVRBMRAQUAW-UHFFFAOYSA-N 0 0 274.345 3.644 50 30 CHEARN Cc1ccc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000006267047 170187041 /nfs/dbraw/zinc/18/70/41/170187041.db2.gz SEJCWGOGLGXBLJ-UHFFFAOYSA-N 0 0 253.261 3.519 50 30 CHEARN N#Cc1ccc(OCc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000006566841 170214194 /nfs/dbraw/zinc/21/41/94/170214194.db2.gz DEOGCIDBTHJCPV-UHFFFAOYSA-N 0 0 283.718 3.667 50 30 CHEARN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000006702431 170229757 /nfs/dbraw/zinc/22/97/57/170229757.db2.gz ZETOQMHGCLJOGX-KRWDZBQOSA-N 0 0 294.354 3.663 50 30 CHEARN Cc1nc(SCc2ccc(C#N)cc2)nc2c1CCCC2 ZINC000006727737 170233866 /nfs/dbraw/zinc/23/38/66/170233866.db2.gz UEDORGAKQMQERY-UHFFFAOYSA-N 0 0 295.411 3.828 50 30 CHEARN C#CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000006746513 170239165 /nfs/dbraw/zinc/23/91/65/170239165.db2.gz BJLZHCMERFSSFI-UHFFFAOYSA-N 0 0 285.730 3.604 50 30 CHEARN Cc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)s1 ZINC000006788901 170243842 /nfs/dbraw/zinc/24/38/42/170243842.db2.gz NDZFAGSMLIYXHT-AATRIKPKSA-N 0 0 286.352 3.724 50 30 CHEARN N#Cc1ccc(OC(=O)c2cccc(-n3cccc3)c2)cc1 ZINC000006831623 170247965 /nfs/dbraw/zinc/24/79/65/170247965.db2.gz RIXZEAJEPVMWTC-UHFFFAOYSA-N 0 0 288.306 3.568 50 30 CHEARN Cc1nc2ccc(NC(=O)c3cccc(C#N)c3)cc2s1 ZINC000006879278 170252092 /nfs/dbraw/zinc/25/20/92/170252092.db2.gz JQZRGJTVMWCUML-UHFFFAOYSA-N 0 0 293.351 3.729 50 30 CHEARN C[C@H](Oc1ccccc1C#N)C(=O)c1c[nH]c2ccccc21 ZINC000006880177 170252286 /nfs/dbraw/zinc/25/22/86/170252286.db2.gz BEOQFXOKTGASAS-LBPRGKRZSA-N 0 0 290.322 3.690 50 30 CHEARN CC[C@@H]1CSC(Nc2ccccc2C(F)(F)F)=N1 ZINC000006936909 170256613 /nfs/dbraw/zinc/25/66/13/170256613.db2.gz AYLUWFOOWIALAM-MRVPVSSYSA-N 0 0 274.311 3.808 50 30 CHEARN Cc1ccc(C)c(N[C@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000007041997 170263658 /nfs/dbraw/zinc/26/36/58/170263658.db2.gz BUBLSKYYGMXEDB-CQSZACIVSA-N 0 0 293.370 3.614 50 30 CHEARN Cc1nc(CSc2nc(C)c(C)c(C)c2C#N)cs1 ZINC000007059583 170265099 /nfs/dbraw/zinc/26/50/99/170265099.db2.gz ONNCMQFMDVCVSL-UHFFFAOYSA-N 0 0 289.429 3.936 50 30 CHEARN COc1ccc(OC)c(C(=O)/C=C/c2cccs2)c1 ZINC000007062843 170265558 /nfs/dbraw/zinc/26/55/58/170265558.db2.gz YYFBJAFPDJWVSF-VOTSOKGWSA-N 0 0 274.341 3.661 50 30 CHEARN N#Cc1cccc(COC(=O)c2cc(Cl)ccc2F)c1 ZINC000007523265 170288712 /nfs/dbraw/zinc/28/87/12/170288712.db2.gz CCPLQPGADXZCEX-UHFFFAOYSA-N 0 0 289.693 3.708 50 30 CHEARN O=C1c2cc(F)ccc2SC/C1=C\c1cccnc1 ZINC000007586502 170291617 /nfs/dbraw/zinc/29/16/17/170291617.db2.gz MSVCHUUHBXBVPH-IZZDOVSWSA-N 0 0 271.316 3.593 50 30 CHEARN Cc1ccc(/C=C2\COc3ccccc3C2=O)c(C)c1 ZINC000007747127 170300581 /nfs/dbraw/zinc/30/05/81/170300581.db2.gz IEYNDNDLCUSUQD-XNTDXEJSSA-N 0 0 264.324 3.962 50 30 CHEARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1cccs1 ZINC000007981060 170311429 /nfs/dbraw/zinc/31/14/29/170311429.db2.gz WZNPPQVLWAIWAQ-SECBINFHSA-N 0 0 273.317 3.701 50 30 CHEARN N#Cc1ccc(CSc2n[nH]c(-c3cccs3)n2)cc1 ZINC000008230948 170326091 /nfs/dbraw/zinc/32/60/91/170326091.db2.gz XEZXHNTXNVFCGV-UHFFFAOYSA-N 0 0 298.396 3.697 50 30 CHEARN C=CCn1c(=S)[nH]nc1-c1ccc(C)cc1Cl ZINC000008306602 170329957 /nfs/dbraw/zinc/32/99/57/170329957.db2.gz LZLJBOBKQPCCCB-UHFFFAOYSA-N 0 0 265.769 3.756 50 30 CHEARN O=C(C=C1NC=Nc2ccccc21)c1cc2ccccc2o1 ZINC000008520330 170338729 /nfs/dbraw/zinc/33/87/29/170338729.db2.gz HRJWPRIKBWFVFK-GDNBJRDFSA-N 0 0 288.306 3.920 50 30 CHEARN C[C@@H]1CCC/C(=N/NC(=S)Nc2ccccc2)C1 ZINC000008685033 170345378 /nfs/dbraw/zinc/34/53/78/170345378.db2.gz RQRCEVNKLAYFPF-KDUNNAQNSA-N 0 0 261.394 3.539 50 30 CHEARN CN(C)c1ccc(C(=S)Nc2ccccc2)cc1 ZINC000008683561 170345539 /nfs/dbraw/zinc/34/55/39/170345539.db2.gz YHLDLUMVWQSJHW-UHFFFAOYSA-N 0 0 256.374 3.761 50 30 CHEARN N#Cc1c(=S)[nH]c2c(c1-c1ccccc1)CSCC2 ZINC000008706672 170348295 /nfs/dbraw/zinc/34/82/95/170348295.db2.gz NPTRVSYUOFUEOZ-UHFFFAOYSA-N 0 0 284.409 3.698 50 30 CHEARN Cn1cc(/C=C2\Oc3cc(O)ccc3C2=O)c2ccccc21 ZINC000008764837 170354716 /nfs/dbraw/zinc/35/47/16/170354716.db2.gz FIBUPWAMVDZIAE-IUXPMGMMSA-N 0 0 291.306 3.500 50 30 biogenic CHEARN O=C(/C=C/c1ccc2ccccc2n1)c1ccc(O)cc1 ZINC000008792588 170356040 /nfs/dbraw/zinc/35/60/40/170356040.db2.gz STEKRMLPVTWKTN-FMIVXFBMSA-N 0 0 275.307 3.837 50 30 biogenic CHEARN CCOc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O ZINC000008823635 170356561 /nfs/dbraw/zinc/35/65/61/170356561.db2.gz XTMODEYGCSZTKP-YVLHZVERSA-N 0 0 296.322 3.710 50 30 biogenic CHEARN C=CCN1C(=O)C(C)=C(C)[C@@H]1c1c[nH]c2ccccc21 ZINC000009095117 170363362 /nfs/dbraw/zinc/36/33/62/170363362.db2.gz ZRXQXSNQPFNOKW-MRXNPFEDSA-N 0 0 266.344 3.574 50 30 CHEARN COc1ccc(/C=N/c2oc(C)c(C)c2C#N)c(OC)c1 ZINC000013115067 170532628 /nfs/dbraw/zinc/53/26/28/170532628.db2.gz QBCUKMZGRDUXQT-GIJQJNRQSA-N 0 0 284.315 3.536 50 30 CHEARN Cc1cccc(C)c1NC(=S)NCc1ccncc1 ZINC000013658037 170574778 /nfs/dbraw/zinc/57/47/78/170574778.db2.gz OQPVXPIWXQMCJK-UHFFFAOYSA-N 0 0 271.389 3.596 50 30 CHEARN C[C@H](C#N)Sc1nc(-c2ccco2)nc2ccccc21 ZINC000014095272 170618504 /nfs/dbraw/zinc/61/85/04/170618504.db2.gz HCJKSVWHSHXBKJ-SNVBAGLBSA-N 0 0 281.340 3.894 50 30 CHEARN CCc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)s1 ZINC000019732853 170846980 /nfs/dbraw/zinc/84/69/80/170846980.db2.gz ACSDVSFFDGGFJO-UHFFFAOYSA-N 0 0 283.400 3.705 50 30 CHEARN N#Cc1ccccc1CNc1cccc(Cl)c1F ZINC000020361656 171159935 /nfs/dbraw/zinc/15/99/35/171159935.db2.gz XCOZEIIGNGOWFB-UHFFFAOYSA-N 0 0 260.699 3.963 50 30 CHEARN Cc1ccc(-c2cc(-c3ccc(F)cc3)nc(N)c2C#N)o1 ZINC000020502216 171227857 /nfs/dbraw/zinc/22/78/57/171227857.db2.gz JGFBHBHXLJQMOK-UHFFFAOYSA-N 0 0 293.301 3.910 50 30 CHEARN N#Cc1cccc(-c2nc3c[nH]n(C4CCCCC4)c-3n2)c1 ZINC000020540135 171241686 /nfs/dbraw/zinc/24/16/86/171241686.db2.gz DYPPJOMBWPGACW-UHFFFAOYSA-N 0 0 291.358 3.803 50 30 CHEARN N#CCc1ccc(NC(=O)c2cccc3ncccc32)cc1 ZINC000021448545 171304016 /nfs/dbraw/zinc/30/40/16/171304016.db2.gz KCWSRSJPCQEQPL-UHFFFAOYSA-N 0 0 287.322 3.553 50 30 CHEARN Clc1ccc(C=NNc2nc3ccccc3[nH]2)cc1 ZINC000031904393 171657231 /nfs/dbraw/zinc/65/72/31/171657231.db2.gz VNPZBFQBRDXABT-SXGWCWSVSA-N 0 0 270.723 3.662 50 30 CHEARN Cc1sc(NC(=O)/C=C\c2cccs2)c(C#N)c1C ZINC000033318481 171782834 /nfs/dbraw/zinc/78/28/34/171782834.db2.gz SPWKTHJTULXIPQ-WAYWQWQTSA-N 0 0 288.397 3.950 50 30 CHEARN O=C(/C=C\c1c(Cl)nc2sccn12)c1ccccc1 ZINC000033466938 171804515 /nfs/dbraw/zinc/80/45/15/171804515.db2.gz WNWLHTZTDJRTCP-SREVYHEPSA-N 0 0 288.759 3.945 50 30 CHEARN Cc1c(Cl)cccc1Nc1nccc(N(C)C)c1C#N ZINC000036383298 172628204 /nfs/dbraw/zinc/62/82/04/172628204.db2.gz OQDSWASTEBXKSC-UHFFFAOYSA-N 0 0 286.766 3.725 50 30 CHEARN CCOc1cccc(/C=C2\Cc3ccccc3C2=O)c1 ZINC000040139546 174193990 /nfs/dbraw/zinc/19/39/90/174193990.db2.gz XWZKNNJIDDZPRF-XNTDXEJSSA-N 0 0 264.324 3.908 50 30 CHEARN COc1ccc(C(=O)/C=C/c2csnn2)c2ccccc12 ZINC000040549511 174326529 /nfs/dbraw/zinc/32/65/29/174326529.db2.gz NSHAQACDYXCANX-SOFGYWHQSA-N 0 0 296.351 3.596 50 30 CHEARN C[C@@H](CC#N)N1CCC(c2nc3ccccc3s2)CC1 ZINC000040554285 174329909 /nfs/dbraw/zinc/32/99/09/174329909.db2.gz PFQUHZNLPLDNNS-LBPRGKRZSA-N 0 0 285.416 3.778 50 30 CHEARN C=C(Cl)Cn1nc(-c2cccc3ccccc32)ccc1=O ZINC000044921128 175276904 /nfs/dbraw/zinc/27/69/04/175276904.db2.gz QLYWGNPPPDWYRP-UHFFFAOYSA-N 0 0 296.757 3.816 50 30 CHEARN CCc1ccc(CNC(=O)Nc2cccc(C#N)c2)s1 ZINC000045959729 175389309 /nfs/dbraw/zinc/38/93/09/175389309.db2.gz IIXPHGHTWZARCC-UHFFFAOYSA-N 0 0 285.372 3.504 50 30 CHEARN N#Cc1ccc(Nc2ncnc3ccc(Cl)cc32)cc1 ZINC000057519747 175597297 /nfs/dbraw/zinc/59/72/97/175597297.db2.gz KSVGJWOPLDZYFS-UHFFFAOYSA-N 0 0 280.718 3.898 50 30 CHEARN Cc1nc(-c2ccc(CNc3ccc(C#N)cn3)o2)cs1 ZINC000058356403 175620524 /nfs/dbraw/zinc/62/05/24/175620524.db2.gz ALIFQJROXYCCQI-UHFFFAOYSA-N 0 0 296.355 3.590 50 30 CHEARN Cc1noc(C)c1CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000067369645 175773903 /nfs/dbraw/zinc/77/39/03/175773903.db2.gz KYFIXAMRHYTIEJ-UHFFFAOYSA-N 0 0 295.264 3.794 50 30 CHEARN O=C(c1ccc(Cl)cc1)[C@@H]1O[C@@H]1C(Cl)(Cl)Cl ZINC000071771536 176262569 /nfs/dbraw/zinc/26/25/69/176262569.db2.gz YAIYJBDYMUOYEZ-IUCAKERBSA-N 0 0 299.968 3.660 50 30 CHEARN C=C(C)COc1cccc(NC(=O)N(CC)CC)c1 ZINC000072093555 176314710 /nfs/dbraw/zinc/31/47/10/176314710.db2.gz BNEMHHLHXKMGCA-UHFFFAOYSA-N 0 0 262.353 3.515 50 30 CHEARN CCCc1nc(CSc2cc(C#N)ccn2)cs1 ZINC000077906405 177309655 /nfs/dbraw/zinc/30/96/55/177309655.db2.gz DMCIYGIYXDKRJI-UHFFFAOYSA-N 0 0 275.402 3.655 50 30 CHEARN N#Cc1cccc(NC(=O)Nc2ccc(Cl)cc2C#N)c1 ZINC000002622201 260009859 /nfs/dbraw/zinc/00/98/59/260009859.db2.gz OLCPIVHCNPJYCD-UHFFFAOYSA-N 0 0 296.717 3.727 50 30 CHEARN Cc1snc(SCc2ccc(C)cc2)c1C#N ZINC000003133381 260011053 /nfs/dbraw/zinc/01/10/53/260011053.db2.gz KVMOSXBFOCPTTB-UHFFFAOYSA-N 0 0 260.387 3.924 50 30 CHEARN C/C(=N\NC(=S)NN)C1CCCCCCCCCCC1 ZINC000408728168 260030949 /nfs/dbraw/zinc/03/09/49/260030949.db2.gz IMSKWOLAHGDOIK-QGOAFFKASA-N 0 0 298.500 3.621 50 30 CHEARN CCOC(=O)C(C)=NNc1ccc(Oc2ccccc2)cc1 ZINC000013943378 260076387 /nfs/dbraw/zinc/07/63/87/260076387.db2.gz GHBUXPSXBDMAPG-AQTBWJFISA-N 0 0 298.342 3.830 50 30 CHEARN CCOc1cccc(C=C2C(=O)c3ccccc3C2=O)c1 ZINC000047080960 260194541 /nfs/dbraw/zinc/19/45/41/260194541.db2.gz GOYACSLEJPZTFC-UHFFFAOYSA-N 0 0 278.307 3.548 50 30 CHEARN Cc1ccc(NC2=C([N+](=O)[O-])CCCC2)cc1Cl ZINC000043761391 263296145 /nfs/dbraw/zinc/29/61/45/263296145.db2.gz OBOCZZWCJFVCIR-MLJWKTOOSA-N 0 0 266.728 3.940 50 30 CHEARN C/C(=N\N[C@@H](C)Oc1ccccc1)c1ccc2c(c1)CCC2 ZINC000043761338 263296392 /nfs/dbraw/zinc/29/63/92/263296392.db2.gz KGBFLDSEDWJXMF-NPQOUYBPSA-N 0 0 294.398 3.914 50 30 CHEARN C=C(C)CN(CC)C(=O)Nc1cnn([C@H](C)CC)c1C ZINC000331129728 264148219 /nfs/dbraw/zinc/14/82/19/264148219.db2.gz ORFZLDJFEJRAFD-GFCCVEGCSA-N 0 0 278.400 3.606 50 30 CHEARN COc1cccc(-c2ccc(C(C)(C)C#N)cc2)n1 ZINC000534636216 328333763 /nfs/dbraw/zinc/33/37/63/328333763.db2.gz MAZNUSMMHCELDO-UHFFFAOYSA-N 0 0 252.317 3.558 50 30 CHEARN CCCCC(=O)Nc1sc2c(c1C#N)CC(C)(C)OC2 ZINC000002282877 326796659 /nfs/dbraw/zinc/79/66/59/326796659.db2.gz GJMQFSXVXCPFIT-UHFFFAOYSA-N 0 0 292.404 3.600 50 30 CHEARN Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(OC(F)F)cc1 ZINC000040114064 326926899 /nfs/dbraw/zinc/92/68/99/326926899.db2.gz FKEYJLNNGAJHOT-BQYQJAHWSA-N 0 0 292.285 3.524 50 30 CHEARN N#Cc1ccc(C(=O)Nc2nc(-c3ccco3)cs2)cc1 ZINC000040111382 326927023 /nfs/dbraw/zinc/92/70/23/326927023.db2.gz BXDBQAWCLWWFRA-UHFFFAOYSA-N 0 0 295.323 3.527 50 30 CHEARN C=C(C)CCC[S@](=O)c1nc2ccccc2s1 ZINC000043199220 328753970 /nfs/dbraw/zinc/75/39/70/328753970.db2.gz RIRKTLSGEFPFTO-QGZVFWFLSA-N 0 0 265.403 3.760 50 30 CHEARN Cc1cc2c(c(C)c1Cl)C(=O)/C(=C/c1ccncc1)O2 ZINC000299738204 329529382 /nfs/dbraw/zinc/52/93/82/329529382.db2.gz JFQZAPSOIVYXQO-JYRVWZFOSA-N 0 0 285.730 3.968 50 30 CHEARN C#CCOc1ccccc1-c1c(-c2ccccc2)ncn1C ZINC000065398297 518332524 /nfs/dbraw/zinc/33/25/24/518332524.db2.gz QIABIEUCYOYNSQ-UHFFFAOYSA-N 0 0 288.350 3.766 50 30 CHEARN C=CC(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000328594402 518654701 /nfs/dbraw/zinc/65/47/01/518654701.db2.gz IKLNYFKPDVAADE-GOEBONIOSA-N 0 0 259.349 3.605 50 30 CHEARN Cc1nc(CSc2ccc(C#N)cc2F)cs1 ZINC000098013155 534402302 /nfs/dbraw/zinc/40/23/02/534402302.db2.gz UOEUZRUYHLWRMV-UHFFFAOYSA-N 0 0 264.350 3.755 50 30 CHEARN CCCCCCCCCC(=O)Nc1nccc(C)n1 ZINC000008452231 519978157 /nfs/dbraw/zinc/97/81/57/519978157.db2.gz OGODQPKDJIXXKK-UHFFFAOYSA-N 0 0 263.385 3.864 50 30 CHEARN CCCCCCCCCC[C@H]1C[C@H]2C[C@H](O)O[C@H]2O1 ZINC000008384595 520025107 /nfs/dbraw/zinc/02/51/07/520025107.db2.gz JBVBWQPXSQZSQR-CAOSSQGBSA-N 0 0 270.413 3.987 50 30 CHEARN CC/C=C(/C)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000055570038 520186581 /nfs/dbraw/zinc/18/65/81/520186581.db2.gz JSPAOCHMGGLCRQ-QPEQYQDCSA-N 0 0 272.348 3.664 50 30 CHEARN C=CCNc1ncnc2cc(-c3ccc(OC)cc3)sc21 ZINC000013008306 526683037 /nfs/dbraw/zinc/68/30/37/526683037.db2.gz CPZYVOIUFNKUJO-UHFFFAOYSA-N 0 0 297.383 3.965 50 30 CHEARN CCCCCCCNC(=O)CCc1ccc(OC)cc1 ZINC000102064228 528134730 /nfs/dbraw/zinc/13/47/30/528134730.db2.gz VOGJWLHVQRNGCN-UHFFFAOYSA-N 0 0 277.408 3.714 50 30 CHEARN C=CCCC(=O)Nc1scnc1-c1ccc(F)cc1 ZINC000078464583 570405190 /nfs/dbraw/zinc/40/51/90/570405190.db2.gz SZNFTLOVQXMMIP-UHFFFAOYSA-N 0 0 276.336 3.854 50 30 CHEARN CCc1cccc(C)c1NC(=O)c1ccc(C#N)cc1 ZINC000003548641 566828226 /nfs/dbraw/zinc/82/82/26/566828226.db2.gz JOKGYIGXSBTBLH-UHFFFAOYSA-N 0 0 264.328 3.681 50 30 CHEARN FC(F)(F)c1ccc(Cl)c(NC2=NCCC2)c1 ZINC000003207967 566846333 /nfs/dbraw/zinc/84/63/33/566846333.db2.gz XTKFHUOECACTNA-UHFFFAOYSA-N 0 0 262.662 3.772 50 30 CHEARN CC(C)(C)c1csc(NC(=O)c2ccc(C#N)cc2)n1 ZINC000003210620 566846990 /nfs/dbraw/zinc/84/69/90/566846990.db2.gz RMJZYXJQLLDEBQ-UHFFFAOYSA-N 0 0 285.372 3.565 50 30 CHEARN N#Cc1c(CN2CCCc3ccccc32)cn2ccccc12 ZINC000012554065 566849888 /nfs/dbraw/zinc/84/98/88/566849888.db2.gz KSHLXAZGLHZLBT-UHFFFAOYSA-N 0 0 287.366 3.764 50 30 CHEARN Cc1cc2ncn(Cc3cccc(C#N)c3)c2cc1C ZINC000019804788 566862975 /nfs/dbraw/zinc/86/29/75/566862975.db2.gz GMGLDUABVWAOSA-UHFFFAOYSA-N 0 0 261.328 3.573 50 30 CHEARN C=CCNC(=O)N(Cc1ccccc1)[C@H](C)c1ccccn1 ZINC000072270473 566865055 /nfs/dbraw/zinc/86/50/55/566865055.db2.gz KHFKFHRAMIOVRC-OAHLLOKOSA-N 0 0 295.386 3.540 50 30 CHEARN N#Cc1cc(-c2ccccc2)nnc1Oc1ccccc1 ZINC000001390982 566868224 /nfs/dbraw/zinc/86/82/24/566868224.db2.gz BFHAUEIYEGWWEN-UHFFFAOYSA-N 0 0 273.295 3.808 50 30 CHEARN C=CCn1cc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)c(C)n1 ZINC000055282258 566868787 /nfs/dbraw/zinc/86/87/87/566868787.db2.gz FHAUMWKOROZUDQ-HNNXBMFYSA-N 0 0 283.419 3.845 50 30 CHEARN C=CCN(Cc1cccs1)C(=O)c1cccs1 ZINC000058316695 566873940 /nfs/dbraw/zinc/87/39/40/566873940.db2.gz JSLFEOQKWCNKGW-UHFFFAOYSA-N 0 0 263.387 3.638 50 30 CHEARN C#Cc1cccc(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000012749090 566877057 /nfs/dbraw/zinc/87/70/57/566877057.db2.gz LLCLJCOBZXGVKQ-UHFFFAOYSA-N 0 0 287.721 3.642 50 30 CHEARN Cc1cccc(/N=C/c2c(O)ccc3ccccc32)n1 ZINC000016666376 566878324 /nfs/dbraw/zinc/87/83/24/566878324.db2.gz GOXMIRPGNYQUGX-WOJGMQOQSA-N 0 0 262.312 3.999 50 30 CHEARN N#Cc1nc(C(F)(F)F)ccc1-c1cccc(F)c1 ZINC000047206358 566890346 /nfs/dbraw/zinc/89/03/46/566890346.db2.gz UPCOITWNOKPMLB-UHFFFAOYSA-N 0 0 266.197 3.778 50 30 CHEARN C=CCSc1nnc(-c2ccc(C)cc2)n1CC=C ZINC000001791863 566901809 /nfs/dbraw/zinc/90/18/09/566901809.db2.gz GSEOXLQWBPLBQP-UHFFFAOYSA-N 0 0 271.389 3.718 50 30 CHEARN C(=N/c1ccccn1)\c1ccc(/C=N/c2ccccn2)cc1 ZINC000001761524 566911299 /nfs/dbraw/zinc/91/12/99/566911299.db2.gz GEESYBLNAPUAMQ-JFMUQQRKSA-N 0 0 286.338 3.978 50 30 CHEARN C[C@H]1CCC2=C(C3(CC2)SCCS3)[C@@]1(C)C=O ZINC000045071868 566917516 /nfs/dbraw/zinc/91/75/16/566917516.db2.gz GKTSPAHUOPQXLZ-GWCFXTLKSA-N 0 0 268.447 3.888 50 30 CHEARN C#Cc1cccc(NC(=O)N(CC=C)C2CCCC2)c1 ZINC000075104739 566936655 /nfs/dbraw/zinc/93/66/55/566936655.db2.gz XRBZVBPSAMDFLO-UHFFFAOYSA-N 0 0 268.360 3.630 50 30 CHEARN CC(=O)Nc1c(C#N)c(C)c(C)n1-c1c(C)cc(C)cc1C ZINC000001660279 566944010 /nfs/dbraw/zinc/94/40/10/566944010.db2.gz SQNSSHZDFIHXLD-UHFFFAOYSA-N 0 0 295.386 3.849 50 30 CHEARN C[C@H](NC(=S)NC1CCCCC1)c1ccccc1 ZINC000000129823 566953961 /nfs/dbraw/zinc/95/39/61/566953961.db2.gz HENUXILFJOCRKP-LBPRGKRZSA-N 0 0 262.422 3.956 50 30 CHEARN C=CCNC(=O)N[C@H](c1ccccc1)c1ccc(C)c(C)c1 ZINC000012982853 566954517 /nfs/dbraw/zinc/95/45/17/566954517.db2.gz MYHXOTWEYIQSPB-GOSISDBHSA-N 0 0 294.398 3.878 50 30 CHEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC/C2=N\N ZINC000245228842 566968831 /nfs/dbraw/zinc/96/88/31/566968831.db2.gz GWWXKVVUGDVQGO-YMVWAPLMSA-N 0 0 284.403 3.563 50 30 biogenic CHEARN CC(=NNc1nc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000245240794 566969204 /nfs/dbraw/zinc/96/92/04/566969204.db2.gz SWRGHMCZWNHVKA-UHFFFAOYSA-N 0 0 268.295 3.538 50 30 CHEARN O=C1C=Cc2ccccc2C1=NNc1ccccc1Cl ZINC000252428595 566972508 /nfs/dbraw/zinc/97/25/08/566972508.db2.gz PRQXXWQHJWHDHV-UHFFFAOYSA-N 0 0 282.730 3.752 50 30 CHEARN Cc1ccc(/N=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 ZINC000016661701 566982384 /nfs/dbraw/zinc/98/23/84/566982384.db2.gz JJNLCFPXJQIPSB-GZTJUZNOSA-N 0 0 283.331 3.720 50 30 CHEARN N#CCC[C@@H](C#N)CN1CCC(=Cc2ccccc2)CC1 ZINC000089828176 567027129 /nfs/dbraw/zinc/02/71/29/567027129.db2.gz TYIDZHAZCVDAKI-SFHVURJKSA-N 0 0 279.387 3.609 50 30 CHEARN N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000075964349 567028543 /nfs/dbraw/zinc/02/85/43/567028543.db2.gz VIHBOLJUFLYDEF-HOTGVXAUSA-N 0 0 299.443 3.544 50 30 CHEARN C#Cc1cccc(NC(=O)N2C[C@H](C)CCC[C@@H]2C)c1 ZINC000076069050 567030349 /nfs/dbraw/zinc/03/03/49/567030349.db2.gz XXTXJURRJCMGSG-KGLIPLIRSA-N 0 0 270.376 3.710 50 30 CHEARN Cc1cc(C(=O)OCc2cccc(C#N)c2)c(C)n1C1CC1 ZINC000017131594 567032599 /nfs/dbraw/zinc/03/25/99/567032599.db2.gz OBTNLIHDIRHGHW-UHFFFAOYSA-N 0 0 294.354 3.669 50 30 CHEARN Cc1ccc(N=Cc2ccc([N+](=O)[O-])s2)cc1[N+](=O)[O-] ZINC000252462016 567051792 /nfs/dbraw/zinc/05/17/92/567051792.db2.gz PEMCMVVFFGNBJE-UHFFFAOYSA-N 0 0 291.288 3.624 50 30 CHEARN Cc1cc(C)c(N=Cc2ccc(O)cc2O)c(C)c1 ZINC000252462649 567052089 /nfs/dbraw/zinc/05/20/89/567052089.db2.gz VALFVRSRQPMCBA-UHFFFAOYSA-N 0 0 255.317 3.774 50 30 CHEARN Cc1ccc2ncnc(N[C@H](C)c3cccc(C#N)c3)c2c1 ZINC000170644292 567059915 /nfs/dbraw/zinc/05/99/15/567059915.db2.gz TVEQKGVYRYUUIS-CYBMUJFWSA-N 0 0 288.354 3.983 50 30 CHEARN CCCCCCNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000252491628 567060311 /nfs/dbraw/zinc/06/03/11/567060311.db2.gz LOSYDHJIHCQCLY-MRXNPFEDSA-N 0 0 272.392 3.770 50 30 CHEARN N#Cc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000252604096 567064951 /nfs/dbraw/zinc/06/49/51/567064951.db2.gz FWICIRTZVWMIOM-UHFFFAOYSA-N 0 0 278.340 3.614 50 30 CHEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=NN ZINC000252606875 567066183 /nfs/dbraw/zinc/06/61/83/567066183.db2.gz GWWXKVVUGDVQGO-CVYDXHPNSA-N 0 0 284.403 3.563 50 30 CHEARN N#Cc1c2c(sc1N=Cc1ccc(F)cc1)CCC2 ZINC000252595872 567066273 /nfs/dbraw/zinc/06/62/73/567066273.db2.gz CESMVEOICYAICI-UHFFFAOYSA-N 0 0 270.332 3.998 50 30 CHEARN Cc1ccc(C=NN=c2ccc3ccccc3[nH]2)o1 ZINC000252613943 567067094 /nfs/dbraw/zinc/06/70/94/567067094.db2.gz JFHKFWQDHDEOON-UHFFFAOYSA-N 0 0 251.289 3.582 50 30 CHEARN CC(=NOCCON=C(C)c1ccccc1)c1ccccc1 ZINC000252627520 567070225 /nfs/dbraw/zinc/07/02/25/567070225.db2.gz RWCKFIWNPCJXMB-UHFFFAOYSA-N 0 0 296.370 3.868 50 30 CHEARN Cc1cc(N2CCCCC2)n2c3ccccc3nc2c1C#N ZINC000000154530 567102385 /nfs/dbraw/zinc/10/23/85/567102385.db2.gz QVBHLSXKUMTLQW-UHFFFAOYSA-N 0 0 290.370 3.658 50 30 CHEARN CC(C)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000000570356 567106714 /nfs/dbraw/zinc/10/67/14/567106714.db2.gz IPFDMGSSCFQFBB-SNVBAGLBSA-N 0 0 276.405 3.729 50 30 CHEARN COc1ccc([C@@H]2C[C@@H]2/C(=N/O)c2ccccc2)cc1 ZINC000013142430 567116679 /nfs/dbraw/zinc/11/66/79/567116679.db2.gz SVZRWBOWZMYECF-WZEOOOLQSA-N 0 0 267.328 3.677 50 30 CHEARN Cc1sc(NC(=O)CC(C)(C)C)c(C#N)c1C ZINC000013327164 567118672 /nfs/dbraw/zinc/11/86/72/567118672.db2.gz LJYAHOVWUZAJQW-UHFFFAOYSA-N 0 0 250.367 3.611 50 30 CHEARN C=CC(=O)N[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000328596885 567120039 /nfs/dbraw/zinc/12/00/39/567120039.db2.gz BFBGGQUUCJGDDV-BXKDBHETSA-N 0 0 274.320 3.649 50 30 CHEARN C=CCNC(=O)c1ccc(Oc2ccccc2Cl)o1 ZINC000096182544 567138798 /nfs/dbraw/zinc/13/87/98/567138798.db2.gz LTOYVLKHNDNHRZ-UHFFFAOYSA-N 0 0 277.707 3.641 50 30 CHEARN O=C1c2cccc(Cl)c2O/C1=C\c1cccc(O)c1 ZINC000299738329 567149487 /nfs/dbraw/zinc/14/94/87/567149487.db2.gz WHQYODFBYKDDFA-JYRVWZFOSA-N 0 0 272.687 3.662 50 30 CHEARN COc1ccc(C(=O)C=CNc2cccc(OC)c2)cc1 ZINC000002793440 567153028 /nfs/dbraw/zinc/15/30/28/567153028.db2.gz XLDYPPXIWMSJOV-ZHACJKMWSA-N 0 0 283.327 3.512 50 30 CHEARN Cc1nnc(NCC23CC4CC(CC(C4)C2)C3)c(C#N)c1C ZINC000029525150 567156117 /nfs/dbraw/zinc/15/61/17/567156117.db2.gz FVJBBVPFYXXWNY-UHFFFAOYSA-N 0 0 296.418 3.593 50 30 CHEARN N#Cc1ccc(COC(=O)c2c(F)cccc2Cl)cc1 ZINC000003263831 567165218 /nfs/dbraw/zinc/16/52/18/567165218.db2.gz LHGUJDLTLQLLFY-UHFFFAOYSA-N 0 0 289.693 3.708 50 30 CHEARN CC(C)c1ccccc1NC(=O)COc1cccc(C#N)c1 ZINC000003408288 567172582 /nfs/dbraw/zinc/17/25/82/567172582.db2.gz ARVBUONEIBJOAC-UHFFFAOYSA-N 0 0 294.354 3.699 50 30 CHEARN CCC1CCC(N(C)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000058405942 567179123 /nfs/dbraw/zinc/17/91/23/567179123.db2.gz QJAHJYGOPNFWLV-UHFFFAOYSA-N 0 0 285.391 3.991 50 30 CHEARN Cc1ccc(C#N)cc1NC(=O)N(C)Cc1ccccc1 ZINC000058453740 567180552 /nfs/dbraw/zinc/18/05/52/567180552.db2.gz OVKSGRWXTZKTAU-UHFFFAOYSA-N 0 0 279.343 3.531 50 30 CHEARN Oc1ccccc1C=NNc1ccc(Br)cc1 ZINC000004017901 567183831 /nfs/dbraw/zinc/18/38/31/567183831.db2.gz OIAFBKNZDHQDIW-OQLLNIDSSA-N 0 0 291.148 3.601 50 30 CHEARN CCC[C@@]1(C(=O)OCC)O[C@H]1c1ccc(OC(C)C)cc1 ZINC000004025061 567184011 /nfs/dbraw/zinc/18/40/11/567184011.db2.gz WMIGJGUVDFCQOU-DOTOQJQBSA-N 0 0 292.375 3.647 50 30 biogenic CHEARN O=C(/C=C1/C(=O)Nc2ccccc21)c1cc2ccccc2o1 ZINC000032012487 567187291 /nfs/dbraw/zinc/18/72/91/567187291.db2.gz DWYVKAMJILQLBI-JLHYYAGUSA-N 0 0 289.290 3.651 50 30 CHEARN Cc1coc(C)c1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000004079361 567187602 /nfs/dbraw/zinc/18/76/02/567187602.db2.gz YVSASPPFZSJUGY-VOTSOKGWSA-N 0 0 271.272 3.701 50 30 CHEARN CC(=O)C=C(C)Nc1cc2c(C)c(C)[nH]c2cc1C ZINC000004187627 567188771 /nfs/dbraw/zinc/18/87/71/567188771.db2.gz FUKGCVWXLZRSIH-JXMROGBWSA-N 0 0 256.349 3.998 50 30 CHEARN Cc1ccccc1-n1ccnc1SC[C@H](C#N)CCC#N ZINC000066402874 567194836 /nfs/dbraw/zinc/19/48/36/567194836.db2.gz HJRIWLZKYJMUGL-AWEZNQCLSA-N 0 0 296.399 3.716 50 30 CHEARN N#CCCCSc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000042568549 567204865 /nfs/dbraw/zinc/20/48/65/567204865.db2.gz LEXFSPPBBDTFTF-UHFFFAOYSA-N 0 0 285.294 3.978 50 30 CHEARN CCOc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000000043576 567817013 /nfs/dbraw/zinc/81/70/13/567817013.db2.gz FVHKQLAQQMARJA-UHFFFAOYSA-N 0 0 278.307 3.548 50 30 CHEARN CSc1nc(C2CC2)cc(-c2ccco2)c1C#N ZINC000000067457 567817633 /nfs/dbraw/zinc/81/76/33/567817633.db2.gz SKYUFEXRMFRFRT-UHFFFAOYSA-N 0 0 256.330 3.813 50 30 CHEARN CSc1nc(SC)c(C#N)c(-c2cccs2)n1 ZINC000000095060 567818033 /nfs/dbraw/zinc/81/80/33/567818033.db2.gz FZDRVUDHUYROGB-UHFFFAOYSA-N 0 0 279.415 3.521 50 30 CHEARN Cc1ccc(/N=C/c2cccnc2)cc1Br ZINC000000136753 567819830 /nfs/dbraw/zinc/81/98/30/567819830.db2.gz JDHXNLMIRPSVLI-CXUHLZMHSA-N 0 0 275.149 3.903 50 30 CHEARN CN(C)/C=C/C(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000000142633 567820015 /nfs/dbraw/zinc/82/00/15/567820015.db2.gz NPWVLJBJSWANRE-GFGVWQOPSA-N 0 0 270.159 3.651 50 30 CHEARN Cc1nnc(C)n1/N=C/c1cccc(Oc2ccccc2)c1 ZINC000000228432 567822664 /nfs/dbraw/zinc/82/26/64/567822664.db2.gz CSPGMDKBWZOPIE-LDADJPATSA-N 0 0 292.342 3.569 50 30 CHEARN CC(=O)Nc1ccc(/N=C/c2cccc(C)c2)cc1 ZINC000000267503 567823418 /nfs/dbraw/zinc/82/34/18/567823418.db2.gz PUWFJPVMASEQBF-GZTJUZNOSA-N 0 0 252.317 3.704 50 30 CHEARN Cc1cc(C)c(/N=C/c2ccc(O)cc2O)c(C)c1 ZINC000000357649 567826730 /nfs/dbraw/zinc/82/67/30/567826730.db2.gz VALFVRSRQPMCBA-RQZCQDPDSA-N 0 0 255.317 3.774 50 30 CHEARN COC12c3ccccc3C(C[C@H]1C#N)c1ccccc12 ZINC000000400598 567829430 /nfs/dbraw/zinc/82/94/30/567829430.db2.gz BDDYWZITOVMIRJ-RTYYOJRZSA-N 0 0 261.324 3.565 50 30 CHEARN CSc1cccc(NC=C2C(=O)CC(C)(C)CC2=O)c1 ZINC000000436484 567830131 /nfs/dbraw/zinc/83/01/31/567830131.db2.gz HDAVRIRKAWSLED-UHFFFAOYSA-N 0 0 289.400 3.663 50 30 CHEARN CCOc1ccc(/C=N/c2ccc(C#N)cc2)cc1 ZINC000000588062 567834030 /nfs/dbraw/zinc/83/40/30/567834030.db2.gz YFZISFITJTVAET-LDADJPATSA-N 0 0 250.301 3.708 50 30 CHEARN CCCOc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000002895766 567850150 /nfs/dbraw/zinc/85/01/50/567850150.db2.gz LTSCQABZXHDWEH-UHFFFAOYSA-N 0 0 292.334 3.938 50 30 CHEARN C(=CN=Nc1cccc2cccnc21)Cc1ccco1 ZINC000002906326 567850539 /nfs/dbraw/zinc/85/05/39/567850539.db2.gz NQROOORELAYARL-WYUFXOOSSA-N 0 0 263.300 3.939 50 30 CHEARN Cc1[nH]c2ccccc2c1C(=O)/C=C/c1ccco1 ZINC000003996181 567854621 /nfs/dbraw/zinc/85/46/21/567854621.db2.gz ZXWSFGLYKHATEG-CMDGGOBGSA-N 0 0 251.285 3.965 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC ZINC000004283227 567856558 /nfs/dbraw/zinc/85/65/58/567856558.db2.gz MWFPOMHEKFNGLA-YCRREMRBSA-N 0 0 286.302 3.739 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccsc2)cc1OC ZINC000005361053 567859464 /nfs/dbraw/zinc/85/94/64/567859464.db2.gz RKPIVDJRGWSFOE-HWKANZROSA-N 0 0 274.341 3.661 50 30 CHEARN Cc1[nH]c2ccccc2c1/C=C/C(=O)C(F)(F)F ZINC000012404789 567862982 /nfs/dbraw/zinc/86/29/82/567862982.db2.gz KEOHFOPOOMVLRS-VOTSOKGWSA-N 0 0 253.223 3.621 50 30 CHEARN COc1ccc(C2=NO[C@@](C)([C@H]3CC=C(C)C(=O)C3)C2)cc1 ZINC000012416793 567863022 /nfs/dbraw/zinc/86/30/22/567863022.db2.gz NVVAGVNIVYUIOB-KBXCAEBGSA-N 0 0 299.370 3.504 50 30 CHEARN Cc1ccc(NN=C2C=CC(=O)c3ncccc32)c(Cl)c1 ZINC000004362298 567864078 /nfs/dbraw/zinc/86/40/78/567864078.db2.gz RIYDSMWROIMXID-UYRXBGFRSA-N 0 0 297.745 3.612 50 30 CHEARN COc1cccc(/C=N/c2cc(C)cc(C)c2)c1O ZINC000013130826 567865304 /nfs/dbraw/zinc/86/53/04/567865304.db2.gz LFJUAEXQVJSJGX-LICLKQGHSA-N 0 0 255.317 3.768 50 30 CHEARN CCCCCNC1=CC(=O)C[C@H](c2ccccc2)C1 ZINC000017511176 567876277 /nfs/dbraw/zinc/87/62/77/567876277.db2.gz YSHXWVNUZDKYJC-OAHLLOKOSA-N 0 0 257.377 3.797 50 30 CHEARN N#Cc1nc(-c2ccccc2)oc1N=NCc1cccs1 ZINC000027016300 567883030 /nfs/dbraw/zinc/88/30/30/567883030.db2.gz SZWVRQOTQMCIHH-LICLKQGHSA-N 0 0 294.339 3.721 50 30 CHEARN Cc1nc(N=NCc2ccc(Cl)cc2)sc1C ZINC000031904215 567885055 /nfs/dbraw/zinc/88/50/55/567885055.db2.gz OVMPAFQBTARCTJ-AUWJEWJLSA-N 0 0 265.769 3.859 50 30 CHEARN N#Cc1sc(-c2ccncc2)nc1-c1ccccc1 ZINC000098072714 567907337 /nfs/dbraw/zinc/90/73/37/567907337.db2.gz FAOMVWUEFLWNPR-UHFFFAOYSA-N 0 0 263.325 3.744 50 30 CHEARN Fc1c(F)c(F)c(OC(F)(F)Cl)c(F)c1F ZINC000095215431 567909222 /nfs/dbraw/zinc/90/92/22/567909222.db2.gz FBOFGPDOFDHHGE-UHFFFAOYSA-N 0 0 268.515 3.550 50 30 CHEARN CCC[C@@H]1/C(=N\O)C[C@@H](c2ccco2)N[C@H]1c1ccco1 ZINC000100398610 567913113 /nfs/dbraw/zinc/91/31/13/567913113.db2.gz JMOPJIQNJJMZHQ-QNVPLHRRSA-N 0 0 288.347 3.895 50 30 CHEARN O/N=C/c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000100482847 567913324 /nfs/dbraw/zinc/91/33/24/567913324.db2.gz DZNFKQMOUAEDRF-CXUHLZMHSA-N 0 0 261.708 3.727 50 30 CHEARN N#Cc1c2c(sc1/N=C/c1ccc(F)cc1)CCC2 ZINC000100507582 567913407 /nfs/dbraw/zinc/91/34/07/567913407.db2.gz CESMVEOICYAICI-GIJQJNRQSA-N 0 0 270.332 3.998 50 30 CHEARN Cc1ccc(-c2n[nH]c3c2/C(=N\O)c2ccccc2-3)cc1 ZINC000100937200 567914336 /nfs/dbraw/zinc/91/43/36/567914336.db2.gz LWYLQOXGXKHIHX-JZJYNLBNSA-N 0 0 275.311 3.592 50 30 CHEARN N#Cc1ccc(Sc2nc3ccccc3s2)nc1 ZINC000014203980 567915623 /nfs/dbraw/zinc/91/56/23/567915623.db2.gz FJSSWQMRNJXYOY-UHFFFAOYSA-N 0 0 269.354 3.714 50 30 CHEARN Cn1cc(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)cn1 ZINC000210072626 567923028 /nfs/dbraw/zinc/92/30/28/567923028.db2.gz KZXBWHCIXNHFCR-YFHOEESVSA-N 0 0 268.360 3.614 50 30 CHEARN N#C[C@H]1c2ccccc2C=CN1C(=O)c1ccccc1F ZINC000000104452 567923067 /nfs/dbraw/zinc/92/30/67/567923067.db2.gz FASNABDNAHAYDM-INIZCTEOSA-N 0 0 278.286 3.517 50 30 CHEARN N#Cc1c2c(sc1NC1=CC(=O)CCC1)CCCC2 ZINC000000109166 567923069 /nfs/dbraw/zinc/92/30/69/567923069.db2.gz FNFIVBURIDEVAP-UHFFFAOYSA-N 0 0 272.373 3.547 50 30 CHEARN Cn1c2ccccc2c(C#N)c1CNc1ccc(F)cc1 ZINC000000128327 567923682 /nfs/dbraw/zinc/92/36/82/567923682.db2.gz GAHYRGJJMQPDEI-UHFFFAOYSA-N 0 0 279.318 3.801 50 30 CHEARN CSc1nc(-c2ccco2)cc(C(F)(F)F)c1C#N ZINC000000141928 567923868 /nfs/dbraw/zinc/92/38/68/567923868.db2.gz HWKODSGNNYGYJT-UHFFFAOYSA-N 0 0 284.262 3.954 50 30 CHEARN CCOc1ccc(/C=N/c2ccc3c(c2)ncn3C)cc1 ZINC000000237936 567925403 /nfs/dbraw/zinc/92/54/03/567925403.db2.gz DRSJTWDAUCQWGB-WOJGMQOQSA-N 0 0 279.343 3.723 50 30 CHEARN CCCCCCCCOCn1c2ccccc2n(C)c1=N ZINC000100729223 567928462 /nfs/dbraw/zinc/92/84/62/567928462.db2.gz CDKSFDIHSPXSFQ-UHFFFAOYSA-N 0 0 289.423 3.794 50 30 CHEARN O=[N+]([O-])c1ccc(/C=C\C=Nc2ccccc2O)cc1 ZINC000252610033 567930289 /nfs/dbraw/zinc/93/02/89/567930289.db2.gz HYFJDUBKWVILOC-DINFGWAUSA-N 0 0 268.272 3.716 50 30 CHEARN C=CCCC(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000206670321 567932772 /nfs/dbraw/zinc/93/27/72/567932772.db2.gz WYKCRYRGYKZPGR-OAHLLOKOSA-N 0 0 275.367 3.888 50 30 CHEARN CC1(C)Cc2[nH]c(-c3ccccc3)cc2/C(=N/O)C1 ZINC000017185896 567935222 /nfs/dbraw/zinc/93/52/22/567935222.db2.gz QLNQIYBKLWJHAC-OBGWFSINSA-N 0 0 254.333 3.832 50 30 CHEARN COc1ccc([C@@H]2CC(=O)C=C(NC3CCCC3)C2)cc1 ZINC000017532695 567935473 /nfs/dbraw/zinc/93/54/73/567935473.db2.gz JKWBWAWYXROHOO-AWEZNQCLSA-N 0 0 285.387 3.558 50 30 CHEARN COc1ccc([C@H](C#N)Nc2ccccc2C)cc1 ZINC000000477904 567936355 /nfs/dbraw/zinc/93/63/55/567936355.db2.gz VVKMAVNKLAFJPG-INIZCTEOSA-N 0 0 252.317 3.680 50 30 CHEARN O=C1CCCCC1=CNc1cccc(Br)c1 ZINC000002829163 567937889 /nfs/dbraw/zinc/93/78/89/567937889.db2.gz ARCJJVXHNUITHM-KTKRTIGZSA-N 0 0 280.165 3.888 50 30 CHEARN O=C(/C=C\c1ccc(Br)s1)c1cccnc1 ZINC000004566902 567938273 /nfs/dbraw/zinc/93/82/73/567938273.db2.gz LFGJUVLMPCFOHZ-HYXAFXHYSA-N 0 0 294.173 3.802 50 30 CHEARN CCCCCCCCCON1C(=O)c2ccccc2C1=O ZINC000100844477 567939133 /nfs/dbraw/zinc/93/91/33/567939133.db2.gz FFZCGCYLYXDYHT-UHFFFAOYSA-N 0 0 289.375 3.965 50 30 CHEARN COc1ccc(/N=C/C=C2OC(C)(C)C(C)(C)O2)cc1 ZINC000000502075 567940863 /nfs/dbraw/zinc/94/08/63/567940863.db2.gz APKVYLGVGJFNPG-GZTJUZNOSA-N 0 0 275.348 3.843 50 30 CHEARN O=C1C=CC2=N[C@]34CCCC[C@H]3CC3=C(CCCC3)N4C2=C1 ZINC000000517288 567941972 /nfs/dbraw/zinc/94/19/72/567941972.db2.gz DDBSWDOVRIISKC-LIRRHRJNSA-N 0 0 294.398 3.884 50 30 biogenic CHEARN N#Cc1nc(-c2ccc(F)cc2)oc1N1CCCCCC1 ZINC000000544506 567942806 /nfs/dbraw/zinc/94/28/06/567942806.db2.gz GLWKBUPXCUDAGW-UHFFFAOYSA-N 0 0 285.322 3.733 50 30 CHEARN COc1ccc(OC)c(NC=CC(=O)c2ccc(C)cc2)c1 ZINC000104125194 567943459 /nfs/dbraw/zinc/94/34/59/567943459.db2.gz JZMBRGKUDSUJFK-KHPPLWFESA-N 0 0 297.354 3.821 50 30 CHEARN COc1ccc(NC(C)=CC(=O)c2ccc(OC)cc2)cc1 ZINC000104733669 567943778 /nfs/dbraw/zinc/94/37/78/567943778.db2.gz BXSQXEQHVLGFAF-SEYXRHQNSA-N 0 0 297.354 3.902 50 30 CHEARN COC(=O)[C@@H]1CCCCC(=Cc2ccc(Cl)cc2)C1=O ZINC000051329882 567944660 /nfs/dbraw/zinc/94/46/60/567944660.db2.gz VNINQEWYPQDJIV-IEZBTEQYSA-N 0 0 292.762 3.656 50 30 CHEARN CC(C)[C@@H]1CC[C@@H]2C[C@@H]3O[C@@]34CC[C@H](C4)CC(=O)[C@H]21 ZINC000101141781 567946632 /nfs/dbraw/zinc/94/66/32/567946632.db2.gz VSBUDEPPTQGEIN-FGBAQLTPSA-N 0 0 262.393 3.585 50 30 CHEARN C[C@@H](SCc1ccccc1)C(=O)[C@@H](C#N)c1ccccn1 ZINC000049457623 567946882 /nfs/dbraw/zinc/94/68/82/567946882.db2.gz ZNLFUSAAFYIHOS-HIFRSBDPSA-N 0 0 296.395 3.580 50 30 CHEARN C=CCSc1nc(CC)c2c(c1C#N)CCCC2 ZINC000004550353 570224985 /nfs/dbraw/zinc/22/49/85/570224985.db2.gz YUIRGQMPGTXHLE-UHFFFAOYSA-N 0 0 258.390 3.673 50 30 CHEARN Cc1sc(/N=C/c2ccc([N+](=O)[O-])cc2)c(C#N)c1C ZINC000000059333 570250833 /nfs/dbraw/zinc/25/08/33/570250833.db2.gz BWSMPCSQNYWHFU-LZYBPNLTSA-N 0 0 285.328 3.895 50 30 CHEARN COCC[C@H](Oc1cccc(C#N)c1)c1ccccc1 ZINC000585135271 570252204 /nfs/dbraw/zinc/25/22/04/570252204.db2.gz NHHAOVBENQHKJI-KRWDZBQOSA-N 0 0 267.328 3.715 50 30 CHEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)C3CCC3)sc2C1 ZINC000000371613 570265986 /nfs/dbraw/zinc/26/59/86/570265986.db2.gz ROVUYYODUAZRSG-SNVBAGLBSA-N 0 0 288.416 3.873 50 30 CHEARN Cc1ccc(Nc2ccc(C#N)cc2[N+](=O)[O-])cc1F ZINC000018055162 570282778 /nfs/dbraw/zinc/28/27/78/570282778.db2.gz LGSVARYHVFMETM-UHFFFAOYSA-N 0 0 271.251 3.658 50 30 CHEARN CC1(C)Cc2ccccc2C(Nc2ccc(F)c(F)c2)=N1 ZINC000018041785 570282806 /nfs/dbraw/zinc/28/28/06/570282806.db2.gz UIOFNRJCXIGQFZ-UHFFFAOYSA-N 0 0 286.325 3.967 50 30 CHEARN O=C1c2cccc(Cl)c2C/C1=C\c1cccnc1 ZINC000049372187 570300356 /nfs/dbraw/zinc/30/03/56/570300356.db2.gz KLNYQUHKGVJMJF-YRNVUSSQSA-N 0 0 255.704 3.557 50 30 CHEARN O=C1c2cccc(O)c2C/C1=C\c1csc(C2CC2)n1 ZINC000063278235 570326004 /nfs/dbraw/zinc/32/60/04/570326004.db2.gz YUFKFJNXGBDADI-UXBLZVDNSA-N 0 0 283.352 3.549 50 30 CHEARN Cc1cc(Cl)ccc1NC(=O)CNc1ccc(C#N)cc1 ZINC000015291196 570329411 /nfs/dbraw/zinc/32/94/11/570329411.db2.gz AMTMWXZJDIORAU-UHFFFAOYSA-N 0 0 299.761 3.571 50 30 CHEARN C=C(C)CC[C@@H](C)[NH2+]Cc1nn(C)c2ccc(C)cc12 ZINC000065465323 570335908 /nfs/dbraw/zinc/33/59/08/570335908.db2.gz QYDIBGWUFSYGJI-CQSZACIVSA-N 0 0 271.408 3.716 50 30 CHEARN COc1ccc(NC(=S)NN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000013865597 570364403 /nfs/dbraw/zinc/36/44/03/570364403.db2.gz ONHCMFCIWAEVCM-TXEJJXNPSA-N 0 0 293.436 3.571 50 30 CHEARN CC(=O)C1=Cc2ccc(-c3ccccc3)cc2OC1 ZINC000675063945 570366017 /nfs/dbraw/zinc/36/60/17/570366017.db2.gz UQWQYEPUZXOUKN-UHFFFAOYSA-N 0 0 250.297 3.718 50 30 CHEARN CCCn1c(C)nnc1S[C@@H](C#N)C1CCCCC1 ZINC000089707468 570368156 /nfs/dbraw/zinc/36/81/56/570368156.db2.gz ZFZQAWHXGSEVPZ-ZDUSSCGKSA-N 0 0 278.425 3.561 50 30 CHEARN CCCCCC(=O)Nc1sc(C)c(C)c1C#N ZINC000002081481 570370999 /nfs/dbraw/zinc/37/09/99/570370999.db2.gz JNEWXVRBTVUKLJ-UHFFFAOYSA-N 0 0 250.367 3.755 50 30 CHEARN CSc1ccc([C@@H](C)NC(=O)c2cccc(C#N)c2)cc1 ZINC000027159881 570373534 /nfs/dbraw/zinc/37/35/34/570373534.db2.gz XGBOIVCVIRWUHY-GFCCVEGCSA-N 0 0 296.395 3.771 50 30 CHEARN C#Cc1cncc(C(=O)N[C@H](CC(C)C)c2ccccc2)c1 ZINC000253417798 570385251 /nfs/dbraw/zinc/38/52/51/570385251.db2.gz MOEIZUJLAMUVLH-GOSISDBHSA-N 0 0 292.382 3.580 50 30 CHEARN CC[C@@H]1/C(=N\O)C[C@H](c2ccco2)N[C@@H]1c1ccco1 ZINC000018024175 570387467 /nfs/dbraw/zinc/38/74/67/570387467.db2.gz RJPIWROLZXALRW-CWPFMVKGSA-N 0 0 274.320 3.505 50 30 CHEARN COc1cccc(CSc2nc3c(cc2C#N)CCC3)c1 ZINC000000377305 570387922 /nfs/dbraw/zinc/38/79/22/570387922.db2.gz FMJXBPNYCGIAAA-UHFFFAOYSA-N 0 0 296.395 3.743 50 30 CHEARN CCN(C/C=C/c1ccccc1)C(=O)c1cccc(C#N)c1 ZINC000065497667 570393267 /nfs/dbraw/zinc/39/32/67/570393267.db2.gz HTVKTBRNTLZHSA-YRNVUSSQSA-N 0 0 290.366 3.734 50 30 CHEARN CC1=NN([C@H](C#N)c2ccoc2)[C@H](c2ccccc2)C1 ZINC000230012389 570397967 /nfs/dbraw/zinc/39/79/67/570397967.db2.gz UCVAGGFEGLDZNG-JKSUJKDBSA-N 0 0 265.316 3.667 50 30 CHEARN Cc1sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c(C#N)c1C ZINC000002729700 570397971 /nfs/dbraw/zinc/39/79/71/570397971.db2.gz XIZXIKNKEHSKDO-ZIAGYGMSSA-N 0 0 296.395 3.979 50 30 CHEARN C=C(C)COc1cccc(C(=O)Nc2ccccc2O)c1 ZINC000010372908 1125480243 /nfs/dbraw/zinc/48/02/43/1125480243.db2.gz NMFHHONPMWWJPK-UHFFFAOYSA-N 0 0 283.327 3.599 50 30 CHEARN Cc1ncsc1/C=C1/CCOc2ccc(F)cc2C1=O ZINC000084065582 1126800716 /nfs/dbraw/zinc/80/07/16/1126800716.db2.gz QYXNZVWBBKKPQY-POHAHGRESA-N 0 0 289.331 3.639 50 30 CHEARN Cc1ncsc1/C=C1/CCOc2ccccc2C1=O ZINC000084065583 1126801085 /nfs/dbraw/zinc/80/10/85/1126801085.db2.gz PPXKGIVYCGNAFD-FLIBITNWSA-N 0 0 271.341 3.500 50 30 CHEARN CC(=NNC(=S)NC(C)C)c1ccc(C(C)(C)C)cc1 ZINC000254490162 1127101947 /nfs/dbraw/zinc/10/19/47/1127101947.db2.gz PKDRJTVWRAJXJM-UHFFFAOYSA-N 0 0 291.464 3.581 50 30 CHEARN CC(=NNc1nc2ccccc2[nH]1)c1ccc(C)cc1 ZINC000254762231 1127157209 /nfs/dbraw/zinc/15/72/09/1127157209.db2.gz MRJCJGZEDZAIIE-UHFFFAOYSA-N 0 0 264.332 3.707 50 30 CHEARN CCn1c2ccccc2nc1N=NCc1ccc(OC)cc1 ZINC000254853874 1127162840 /nfs/dbraw/zinc/16/28/40/1127162840.db2.gz KLVREYPGPXOYQB-UHFFFAOYSA-N 0 0 294.358 3.511 50 30 CHEARN O=C1c2ccccc2CCC/C1=C/c1ccc(O)cc1 ZINC000033407048 1128521567 /nfs/dbraw/zinc/52/15/67/1128521567.db2.gz OSPHWFZBBXCYSD-QINSGFPZSA-N 0 0 264.324 3.995 50 30 CHEARN CC(=O)Nc1ccc(/C=C\C(=O)c2cccs2)cc1 ZINC000033594820 1128562740 /nfs/dbraw/zinc/56/27/40/1128562740.db2.gz PMNTWMAKQSTUMA-TWGQIWQCSA-N 0 0 271.341 3.603 50 30 CHEARN CC1(C)CC(=O)C2=C(C1)OC1=C(S2)C(=O)CC(C)(C)C1 ZINC000022205533 1118357257 /nfs/dbraw/zinc/35/72/57/1118357257.db2.gz QLGISVWMERQCGW-UHFFFAOYSA-N 0 0 292.400 3.951 50 30 CHEARN C=CCOc1ccccc1/C=N/c1cccc([N+](=O)[O-])c1 ZINC000334160742 1118545103 /nfs/dbraw/zinc/54/51/03/1118545103.db2.gz LJPDUHLTZZGXMR-SFQUDFHCSA-N 0 0 282.299 3.910 50 30 CHEARN CC(=NN=c1cc(C)c2ccccc2[nH]1)c1ccccn1 ZINC000255968051 1120032784 /nfs/dbraw/zinc/03/27/84/1120032784.db2.gz CVDUGZRMCGEUJY-UHFFFAOYSA-N 0 0 276.343 3.774 50 30 CHEARN CCn1c2ccccc2nc1/N=C/c1ccccc1O ZINC000101028960 1120113107 /nfs/dbraw/zinc/11/31/07/1120113107.db2.gz OXVSOZCLALACOR-GZTJUZNOSA-N 0 0 265.316 3.512 50 30 CHEARN COc1ccc(/C=C\C(=O)c2cccc(OC)c2)cc1 ZINC000033410943 1128900913 /nfs/dbraw/zinc/90/09/13/1128900913.db2.gz FUXQAGDIFDLZMZ-FLIBITNWSA-N 0 0 268.312 3.600 50 30 CHEARN Cn1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cn1 ZINC000014175825 1120320648 /nfs/dbraw/zinc/32/06/48/1120320648.db2.gz PYGQZIHXEMCVTA-KPKJPENVSA-N 0 0 288.350 3.983 50 30 CHEARN CN(C)/C=C1/C(=O)c2ccccc2O[C@H]1C1CCCCC1 ZINC000108516376 1120752565 /nfs/dbraw/zinc/75/25/65/1120752565.db2.gz NRPVCLUVCYXKMQ-NZHZHZHDSA-N 0 0 285.387 3.656 50 30 CHEARN c1ccc2[nH]c(NN=C3CCCc4ccccc43)nc2c1 ZINC000005070770 1120958568 /nfs/dbraw/zinc/95/85/68/1120958568.db2.gz GATNWZZDQIZSHS-UHFFFAOYSA-N 0 0 276.343 3.715 50 30 CHEARN C=CCC(CC=C)(C(=O)N[C@H](C)CC)c1ccccc1 ZINC000002866943 1121031011 /nfs/dbraw/zinc/03/10/11/1121031011.db2.gz ARUFPWDTAHIORQ-OAHLLOKOSA-N 0 0 271.404 3.991 50 30 CHEARN C[C@@H](CC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000000860470 1121197195 /nfs/dbraw/zinc/19/71/95/1121197195.db2.gz ROYFLQACQXUEOF-ZDUSSCGKSA-N 0 0 264.328 3.691 50 30 CHEARN C[C@@H](c1ccccc1)[C@H](CS)NC(=O)OC(C)(C)C ZINC000685950272 1121620117 /nfs/dbraw/zinc/62/01/17/1121620117.db2.gz MANAXOOMAFCKST-AAEUAGOBSA-N 0 0 281.421 3.613 50 30 CHEARN CC(C)(C)[Si](C)(C)C#C[C@@H](O)C1CCCCC1 ZINC000195755147 1123229600 /nfs/dbraw/zinc/22/96/00/1123229600.db2.gz FQOJQYFOLYYDTP-CQSZACIVSA-N 0 0 252.474 3.979 50 30 CHEARN C=C(C)C[C@@H](C)C(=O)N1CCOc2ccccc2[C@@H]1C ZINC000585113960 1131299288 /nfs/dbraw/zinc/29/92/88/1131299288.db2.gz OZAACUUZXCABLF-KGLIPLIRSA-N 0 0 273.376 3.571 50 30 CHEARN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000620313885 1125226965 /nfs/dbraw/zinc/22/69/65/1125226965.db2.gz HWJJBDVJDRGLAE-CEYRACAXSA-N 0 0 285.431 3.912 50 30 CHEARN N#Cc1cc(Cl)ccc1Sc1ccc(N)cc1 ZINC000052859199 1125388391 /nfs/dbraw/zinc/38/83/91/1125388391.db2.gz MMIQQPMOKPAHEE-UHFFFAOYSA-N 0 0 260.749 3.945 50 30 CHEARN N#Cc1c(NC(=O)c2cccs2)sc2c1CCCC2 ZINC000000064830 1125418580 /nfs/dbraw/zinc/41/85/80/1125418580.db2.gz QQEDJFZGROIGHM-UHFFFAOYSA-N 0 0 288.397 3.812 50 30 CHEARN COc1ccccc1CC=CN=Nc1ccc([N+](=O)[O-])cc1 ZINC000252510591 1129582668 /nfs/dbraw/zinc/58/26/68/1129582668.db2.gz AMNPBYCYJJVLKZ-VYHDKECDSA-N 0 0 297.314 3.715 50 30 CHEARN C#CC(CC)(CC)NC(=O)/C=C\c1nc2ccccc2s1 ZINC000097986184 1129633594 /nfs/dbraw/zinc/63/35/94/1129633594.db2.gz JSOOKUHZWLCXRH-QXMHVHEDSA-N 0 0 298.411 3.618 50 30 CHEARN O=C(c1ccccc1)N1CCCSC1=Nc1ccccc1 ZINC000254392808 1129691961 /nfs/dbraw/zinc/69/19/61/1129691961.db2.gz DMTIZQYJJHZBCD-UHFFFAOYSA-N 0 0 296.395 3.953 50 30 CHEARN CN(C)c1ccc(C=Nc2sc3c(c2C#N)CCC3)cc1 ZINC000254706969 1129706004 /nfs/dbraw/zinc/70/60/04/1129706004.db2.gz ITVJQCZEIJNLMO-UHFFFAOYSA-N 0 0 295.411 3.925 50 30 CHEARN Cc1ccc(C=NN2CC(c3ccccc3)=NC2=S)o1 ZINC000254872647 1129715386 /nfs/dbraw/zinc/71/53/86/1129715386.db2.gz QWYAILFFUBHWBE-UHFFFAOYSA-N 0 0 283.356 3.622 50 30 CHEARN CCOc1ccc(C=NN2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000254877168 1129715800 /nfs/dbraw/zinc/71/58/00/1129715800.db2.gz WCZKXQHIFZVOSB-OKILXGFUSA-N 0 0 290.407 3.691 50 30 CHEARN COc1ccc(/C=C2\CCc3cc(O)ccc3C2=O)s1 ZINC000221885862 1131480093 /nfs/dbraw/zinc/48/00/93/1131480093.db2.gz WUJBOKYXHNZXBF-PKNBQFBNSA-N 0 0 286.352 3.675 50 30 CHEARN COc1cccc(/C=C/C(=O)/C=C/c2cccc(OC)c2)c1 ZINC000002570793 169811180 /nfs/dbraw/zinc/81/11/80/169811180.db2.gz GAEBYZAZSWAJBT-WGDLNXRISA-N 0 0 294.350 4.000 50 30 CHEARN CCOc1ccc(C(=O)/C=C\c2cccc(O)c2)cc1 ZINC000096792365 185114740 /nfs/dbraw/zinc/11/47/40/185114740.db2.gz VOFODISALASXES-WDZFZDKYSA-N 0 0 268.312 3.687 50 30 CHEARN COc1ccc(C(=O)/C=C\c2ccc(C#N)cc2)cc1F ZINC000096861775 185118340 /nfs/dbraw/zinc/11/83/40/185118340.db2.gz KRIUHXZEXGDZPK-VURMDHGXSA-N 0 0 281.286 3.602 50 30 CHEARN C[C@H](NC(=O)/C=C\c1ccccc1C#N)c1cccs1 ZINC000096930937 185131978 /nfs/dbraw/zinc/13/19/78/185131978.db2.gz VMDQLMNUNPLGCP-LAUAKBEESA-N 0 0 282.368 3.510 50 30 CHEARN CC[C@@H](C#N)SCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000127929319 187341475 /nfs/dbraw/zinc/34/14/75/187341475.db2.gz XDGWEIYNVWYBEA-ZDUSSCGKSA-N 0 0 298.452 3.669 50 30 CHEARN [N-]=[N+]=Nc1nccn2nc(-c3ccc(Cl)cc3)cc12 ZINC000098212940 185700978 /nfs/dbraw/zinc/70/09/78/185700978.db2.gz GIBPBRQHGBAKPF-UHFFFAOYSA-N 0 0 270.683 3.992 50 30 CHEARN COc1ccc(C(=O)C=CNc2cccc(F)c2)cc1 ZINC000100244944 185709694 /nfs/dbraw/zinc/70/96/94/185709694.db2.gz CAZQTZWMMSJSLI-MDZDMXLPSA-N 0 0 271.291 3.643 50 30 CHEARN Fc1c(F)c(F)c(CCC(F)(F)F)c(F)c1F ZINC000100974999 185731774 /nfs/dbraw/zinc/73/17/74/185731774.db2.gz FMUPCXGYMFKRMJ-UHFFFAOYSA-N 0 0 264.115 3.877 50 30 CHEARN CCOc1ccc(/C=C2\Nc3ccccc3C2=O)cc1OC ZINC000102442231 185778443 /nfs/dbraw/zinc/77/84/43/185778443.db2.gz LAJPIYLMXCYHFD-GDNBJRDFSA-N 0 0 295.338 3.743 50 30 CHEARN C#CC[C@H](NC(=O)c1sccc1C)c1ccccc1 ZINC000089701991 179848313 /nfs/dbraw/zinc/84/83/13/179848313.db2.gz KWEWEGTXZNDYPE-AWEZNQCLSA-N 0 0 269.369 3.551 50 30 CHEARN COc1ccc(COc2cc(Cl)cc(C#N)c2)cc1 ZINC000090547711 180001897 /nfs/dbraw/zinc/00/18/97/180001897.db2.gz GIOWFZJLEKWQFV-UHFFFAOYSA-N 0 0 273.719 3.799 50 30 CHEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1[C@H]1O[C@H]1C2=O ZINC000257345809 190037510 /nfs/dbraw/zinc/03/75/10/190037510.db2.gz JORKPPZTZOSXIM-QVATYDDDSA-N 0 0 288.431 3.976 50 30 CHEARN C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3CC(=O)[C@@H]4O[C@@H]4[C@]3(C)[C@H]1CC2 ZINC000257345534 190037680 /nfs/dbraw/zinc/03/76/80/190037680.db2.gz AELKZYLQKXEYRL-MZUSMVRPSA-N 0 0 288.431 3.976 50 30 CHEARN Cc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1F ZINC000000065487 169524210 /nfs/dbraw/zinc/52/42/10/169524210.db2.gz JBERAXUXGNJUHK-CXUHLZMHSA-N 0 0 258.252 3.793 50 30 CHEARN O=C1CCCC2=C1[C@@H](c1ccncc1)Nc1ccccc1N2 ZINC000000107434 169538621 /nfs/dbraw/zinc/53/86/21/169538621.db2.gz IQXQZEYNEDCXDV-GOSISDBHSA-N 0 0 291.354 3.667 50 30 CHEARN N#Cc1ccc(Oc2ccc(C(F)(F)F)cc2N)cc1 ZINC000000150624 169555346 /nfs/dbraw/zinc/55/53/46/169555346.db2.gz GGDVOMIBNSCJAL-UHFFFAOYSA-N 0 0 278.233 3.952 50 30 CHEARN CC[C@]1(C)C[C@](CC#N)(c2ccccc2OC)CCO1 ZINC000000171717 169562931 /nfs/dbraw/zinc/56/29/31/169562931.db2.gz OUPPYFQFNVASQA-IAGOWNOFSA-N 0 0 273.376 3.826 50 30 CHEARN C=CCc1cc2c3ccccc3c(=O)oc2c(C)c1O ZINC000000307652 169604025 /nfs/dbraw/zinc/60/40/25/169604025.db2.gz AEZCSVUXFDTMOY-UHFFFAOYSA-N 0 0 266.296 3.689 50 30 CHEARN C=C[C@]1(O)c2ccccc2CSc2ccccc21 ZINC000000346508 169612739 /nfs/dbraw/zinc/61/27/39/169612739.db2.gz POXMAXZGMOODAB-INIZCTEOSA-N 0 0 254.354 3.714 50 30 CHEARN COc1ccc([C@@H](C#N)[C@H](C#N)c2ccccc2)cc1 ZINC000000397083 169629816 /nfs/dbraw/zinc/62/98/16/169629816.db2.gz BROIWEJXIAKVSL-IAGOWNOFSA-N 0 0 262.312 3.610 50 30 CHEARN N#Cc1nc(-c2ccccc2F)oc1NCc1ccco1 ZINC000000467274 169648660 /nfs/dbraw/zinc/64/86/60/169648660.db2.gz PJHQKQKRJHCTMB-UHFFFAOYSA-N 0 0 283.262 3.557 50 30 CHEARN Cc1ccc(-c2cc(CC#N)n(-c3ccccc3)n2)cc1 ZINC000000481557 169652880 /nfs/dbraw/zinc/65/28/80/169652880.db2.gz FOQQKTWTTIRLBX-UHFFFAOYSA-N 0 0 273.339 3.914 50 30 CHEARN CC(=NOC(=O)Nc1ccccc1)c1ccc(C)cc1 ZINC000000484561 169653510 /nfs/dbraw/zinc/65/35/10/169653510.db2.gz GVYIAPIMWSHHBL-QGOAFFKASA-N 0 0 268.316 3.968 50 30 CHEARN COc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O ZINC000000537078 169664171 /nfs/dbraw/zinc/66/41/71/169664171.db2.gz XKZIXQXQVDIDCC-SXGWCWSVSA-N 0 0 266.296 3.620 50 30 biogenic CHEARN N#Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1 ZINC000095100073 184944380 /nfs/dbraw/zinc/94/43/80/184944380.db2.gz GOKMPVMRBNNBLD-UHFFFAOYSA-N 0 0 281.265 3.689 50 30 CHEARN CCOc1ccc(/C=N/N=C/c2ccc(OCC)cc2)cc1 ZINC000001610353 169724738 /nfs/dbraw/zinc/72/47/38/169724738.db2.gz WKZGXABQISQTKD-IWGRKNQJSA-N 0 0 296.370 3.937 50 30 CHEARN C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C(CCC(=O)C4)[C@@H]3CC[C@@]21C ZINC000245204850 131083914 /nfs/dbraw/zinc/08/39/14/131083914.db2.gz ICTXHFFSOAJUMG-KNJMJIDISA-N 0 0 298.426 3.637 50 30 biogenic CHEARN C=CCOc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000002122424 169775421 /nfs/dbraw/zinc/77/54/21/169775421.db2.gz HXHOFRIRBKTQLS-UHFFFAOYSA-N 0 0 290.318 3.714 50 30 CHEARN CCc1ccc(/N=C/c2cccc(OC)c2O)cc1 ZINC000002167658 169778358 /nfs/dbraw/zinc/77/83/58/169778358.db2.gz GFLDSWLYSPGGDZ-GZTJUZNOSA-N 0 0 255.317 3.714 50 30 CHEARN CC(=O)OC1(C(=O)/C=C/c2ccccc2)CCCCC1 ZINC000002469372 169793627 /nfs/dbraw/zinc/79/36/27/169793627.db2.gz GNFCVYFXWMANAM-ZHACJKMWSA-N 0 0 272.344 3.535 50 30 CHEARN Cc1ccc(-c2cc(C(F)F)n3ncc(C#N)c3n2)s1 ZINC000002766739 169827316 /nfs/dbraw/zinc/82/73/16/169827316.db2.gz CJXWCWQTDFCASD-UHFFFAOYSA-N 0 0 290.298 3.576 50 30 CHEARN C=C(C)c1cccc(C(C)(C)NC(=O)NCC(C)C)c1 ZINC000002847096 169836937 /nfs/dbraw/zinc/83/69/37/169836937.db2.gz JTGKLEXYDMIDNV-UHFFFAOYSA-N 0 0 274.408 3.910 50 30 CHEARN C=CCSC1=N/C(=C\c2sccc2C)C(=O)S1 ZINC000003001806 169848928 /nfs/dbraw/zinc/84/89/28/169848928.db2.gz PMEYLUCHFDVPIB-CLFYSBASSA-N 0 0 281.427 3.946 50 30 CHEARN C[C@H]1CCC[C@H](C)N1/N=C/c1ccc(Cl)cc1 ZINC000003004484 169849367 /nfs/dbraw/zinc/84/93/67/169849367.db2.gz IYADXABJUNSORD-ATARQRRYSA-N 0 0 250.773 3.937 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1/C=C/c1ccccc1 ZINC000003086305 169854218 /nfs/dbraw/zinc/85/42/18/169854218.db2.gz FJMVKIWLOOMXEB-VOTSOKGWSA-N 0 0 250.257 3.637 50 30 CHEARN O=C(/C=C/N(c1ccccc1)c1ccccn1)C(F)(F)F ZINC000003305057 169876825 /nfs/dbraw/zinc/87/68/25/169876825.db2.gz RXWQYXZWMIOFAP-PKNBQFBNSA-N 0 0 292.260 3.865 50 30 CHEARN Cc1c2ccccc2oc1C(=O)OCc1ccc(C#N)cc1 ZINC000003556191 169896759 /nfs/dbraw/zinc/89/67/59/169896759.db2.gz XSHXHTJQUCQKTQ-UHFFFAOYSA-N 0 0 291.306 3.970 50 30 CHEARN CC(C)=NOC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004794883 170018744 /nfs/dbraw/zinc/01/87/44/170018744.db2.gz JPBOATAKSWQDEJ-UHFFFAOYSA-N 0 0 260.215 3.650 50 30 CHEARN Cn1c2ccccc2s/c1=N\N=C1CCCCCC1 ZINC000004818897 170022790 /nfs/dbraw/zinc/02/27/90/170022790.db2.gz LQEMSERGCVPALA-ICFOKQHNSA-N 0 0 273.405 3.851 50 30 CHEARN CC1(C)CCC[C@]2(O[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000004888969 170036350 /nfs/dbraw/zinc/03/63/50/170036350.db2.gz RZJRQXASOLXLIZ-IUODEOHRSA-N 0 0 264.752 3.929 50 30 CHEARN Cc1ccc(C=NNc2cccc3cccnc32)c(O)c1 ZINC000004991756 170051024 /nfs/dbraw/zinc/05/10/24/170051024.db2.gz ZBJPAPFVFRJLEQ-YBFXNURJSA-N 0 0 277.327 3.695 50 30 CHEARN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccsc1 ZINC000005022572 170057077 /nfs/dbraw/zinc/05/70/77/170057077.db2.gz BWQKYTZAXKTZAZ-XYOKQWHBSA-N 0 0 286.381 3.640 50 30 CHEARN Cc1ccc(O)c(C=NN=c2[nH]c3ccccc3s2)c1 ZINC000005025638 170057769 /nfs/dbraw/zinc/05/77/69/170057769.db2.gz ZVPQGRXEGRGMPC-CXUHLZMHSA-N 0 0 283.356 3.756 50 30 CHEARN c1sc(N=NCc2cccnc2)nc1-c1ccccc1 ZINC000005059040 170062163 /nfs/dbraw/zinc/06/21/63/170062163.db2.gz NKKVRRKNFUAEDW-LICLKQGHSA-N 0 0 280.356 3.651 50 30 CHEARN Cc1ccccc1/C=C1/S/C(=N/c2ccccc2)NC1=O ZINC000005201254 170075643 /nfs/dbraw/zinc/07/56/43/170075643.db2.gz WUUDNVKYHJWRAI-RVDMUPIBSA-N 0 0 294.379 3.887 50 30 CHEARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1N1N=N1 ZINC000005277876 170081940 /nfs/dbraw/zinc/08/19/40/170081940.db2.gz ZEFBKMZTYMSNQL-JXMROGBWSA-N 0 0 294.270 3.593 50 30 CHEARN N#Cc1c(/N=C/c2nc3ccccc3[nH]2)sc2c1CCC2 ZINC000005635516 170122588 /nfs/dbraw/zinc/12/25/88/170122588.db2.gz LQDFQZOMXGHNRK-GIJQJNRQSA-N 0 0 292.367 3.735 50 30 CHEARN COc1ccc(CCSc2nc(C)cc(C)c2C#N)cc1 ZINC000005643100 170123424 /nfs/dbraw/zinc/12/34/24/170123424.db2.gz HSWDVTLOAPOFLJ-UHFFFAOYSA-N 0 0 298.411 3.914 50 30 CHEARN Cc1[nH]c(=S)c(C#N)c(C)c1Cc1ccccc1 ZINC000005730170 170134576 /nfs/dbraw/zinc/13/45/76/170134576.db2.gz RBGHVLAZSQXTLL-UHFFFAOYSA-N 0 0 254.358 3.824 50 30 CHEARN O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000005731583 170134747 /nfs/dbraw/zinc/13/47/47/170134747.db2.gz FYAMPAAHFQTEKD-UHFFFAOYSA-N 0 0 291.137 3.815 50 30 CHEARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)C(C)C)c1C#N ZINC000005921667 170155487 /nfs/dbraw/zinc/15/54/87/170155487.db2.gz ITINEUHNVIDKFT-UHFFFAOYSA-N 0 0 295.386 3.619 50 30 CHEARN N#C[C@@H]1c2ccccc2C=CN1C(=O)/C=C/c1ccccc1 ZINC000005946209 170160336 /nfs/dbraw/zinc/16/03/36/170160336.db2.gz HMBJFHBGJSBPCS-DOJUMQAQSA-N 0 0 286.334 3.778 50 30 CHEARN O=C1/C(=C/c2ccc(O)cc2)CC/C1=C\c1ccc(O)cc1 ZINC000005955757 170162145 /nfs/dbraw/zinc/16/21/45/170162145.db2.gz YSEMBYWAAKOCKW-JOBJLJCHSA-N 0 0 292.334 3.928 50 30 in-vivo CHEARN COc1ccc(OC)c(C(C)=NNc2ccccc2)c1 ZINC000006021757 170169370 /nfs/dbraw/zinc/16/93/70/170169370.db2.gz NXEVRHKSFYWPOO-ATVHPVEESA-N 0 0 270.332 3.540 50 30 CHEARN CCOC(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000006046947 170171566 /nfs/dbraw/zinc/17/15/66/170171566.db2.gz RTDDZZJPEGPBDQ-UHFFFAOYSA-N 0 0 278.377 3.847 50 30 CHEARN Cc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)s1 ZINC000006341030 170194017 /nfs/dbraw/zinc/19/40/17/170194017.db2.gz ABKGDSFSFZQWJG-AATRIKPKSA-N 0 0 272.325 3.681 50 30 biogenic,in-vitro CHEARN C=CCSc1n[nH]c(-c2ccc(OCCC)cc2)n1 ZINC000006492373 170206169 /nfs/dbraw/zinc/20/61/69/170206169.db2.gz PFMDTCRDAVZCOU-UHFFFAOYSA-N 0 0 275.377 3.539 50 30 CHEARN C=CCOc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000006704227 170230716 /nfs/dbraw/zinc/23/07/16/170230716.db2.gz AQYBWQJWMBGWBG-UHFFFAOYSA-N 0 0 283.327 3.512 50 30 CHEARN N#Cc1ccccc1NC(=O)c1ccc(F)cc1Cl ZINC000006726315 170233107 /nfs/dbraw/zinc/23/31/07/170233107.db2.gz AYRRAZLQCAMYII-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN CSc1ccccc1C(=O)Nc1ccc(C#N)cc1 ZINC000006728824 170234411 /nfs/dbraw/zinc/23/44/11/170234411.db2.gz WAMXJNDZGLPFOK-UHFFFAOYSA-N 0 0 268.341 3.532 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1O ZINC000006840526 170248286 /nfs/dbraw/zinc/24/82/86/170248286.db2.gz VCXKSLUELZEWRM-WEVVVXLNSA-N 0 0 268.312 3.605 50 30 CHEARN CSc1nc(C(C)(C)C)cc(C(F)(F)F)c1C#N ZINC000006858822 170250778 /nfs/dbraw/zinc/25/07/78/170250778.db2.gz KDFQTUHCBKMCMJ-UHFFFAOYSA-N 0 0 274.311 3.991 50 30 CHEARN O/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000006926349 170255641 /nfs/dbraw/zinc/25/56/41/170255641.db2.gz MDPCPLOZEWVVTE-CAOOACKPSA-N 0 0 279.698 3.866 50 30 CHEARN O=C(/C=C/c1cccs1)c1nc2ccccc2[nH]1 ZINC000007135617 170268544 /nfs/dbraw/zinc/26/85/44/170268544.db2.gz GADBDLDBULCPIT-BQYQJAHWSA-N 0 0 254.314 3.521 50 30 CHEARN Cc1cc(C)cc(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000007240063 170273304 /nfs/dbraw/zinc/27/33/04/170273304.db2.gz DGRKAOWTZLSZEQ-AWEZNQCLSA-N 0 0 293.370 3.614 50 30 CHEARN N#CC1(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000007334528 170278036 /nfs/dbraw/zinc/27/80/36/170278036.db2.gz NGHLGKXVESAFIA-UHFFFAOYSA-N 0 0 298.264 3.608 50 30 CHEARN CCC(=O)c1ccc(OCc2cccc(C#N)c2)cc1 ZINC000007420083 170284240 /nfs/dbraw/zinc/28/42/40/170284240.db2.gz IDLRJSQDTNRPJE-UHFFFAOYSA-N 0 0 265.312 3.730 50 30 CHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccccc1 ZINC000007666837 170296672 /nfs/dbraw/zinc/29/66/72/170296672.db2.gz NQKUQDAORFGRSI-UHFFFAOYSA-N 0 0 291.310 3.503 50 30 CHEARN CC(=O)Nc1cccc(C(=O)/C=C/c2sccc2C)c1 ZINC000007744018 170300062 /nfs/dbraw/zinc/30/00/62/170300062.db2.gz KGVJSBGULDXWIU-VOTSOKGWSA-N 0 0 285.368 3.911 50 30 CHEARN CCN(CC)c1nc(SC)nc(-c2ccccc2)c1C#N ZINC000007995259 170312831 /nfs/dbraw/zinc/31/28/31/170312831.db2.gz UCZLHLUZKFRTNX-UHFFFAOYSA-N 0 0 298.415 3.583 50 30 CHEARN N#CCc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000008062189 170316864 /nfs/dbraw/zinc/31/68/64/170316864.db2.gz QJAMCDJZPOYPMY-BJMVGYQFSA-N 0 0 280.302 3.544 50 30 CHEARN O=C1c2cccc(F)c2SC/C1=C/c1cccnc1 ZINC000008747259 170353839 /nfs/dbraw/zinc/35/38/39/170353839.db2.gz ANMSCWPIRXRVBJ-XFFZJAGNSA-N 0 0 271.316 3.593 50 30 CHEARN C[C@H](C#N)Sc1nnc(Nc2ccccc2Cl)s1 ZINC000009154202 170364564 /nfs/dbraw/zinc/36/45/64/170364564.db2.gz IWLSZOJNGIBWOF-SSDOTTSWSA-N 0 0 296.808 3.939 50 30 CHEARN Cc1ccc(Cl)cc1NC(=O)C1(C#N)CCCC1 ZINC000009336093 170372630 /nfs/dbraw/zinc/37/26/30/170372630.db2.gz CWIOTCZVZSWHPJ-UHFFFAOYSA-N 0 0 262.740 3.671 50 30 CHEARN C=CCOc1ccccc1NC(=O)c1ccc(C)cc1 ZINC000009815175 170385956 /nfs/dbraw/zinc/38/59/56/170385956.db2.gz NVYUGGWGZHWEGQ-UHFFFAOYSA-N 0 0 267.328 3.812 50 30 CHEARN C=CCOc1ccccc1NC(=O)NC1CCCCC1 ZINC000009815454 170385994 /nfs/dbraw/zinc/38/59/94/170385994.db2.gz KLVBROCGLDZGGU-UHFFFAOYSA-N 0 0 274.364 3.706 50 30 CHEARN C=C(C)COc1ccccc1NC(=O)Cc1ccccc1 ZINC000009822557 170386527 /nfs/dbraw/zinc/38/65/27/170386527.db2.gz JJTSJNIEJXMZRB-UHFFFAOYSA-N 0 0 281.355 3.823 50 30 CHEARN C[C@@H](NC(=O)/C=C/c1ccc(C#N)cc1)c1cccs1 ZINC000009836341 170386827 /nfs/dbraw/zinc/38/68/27/170386827.db2.gz QAQHBFCXFMJSMR-IDVQTMNDSA-N 0 0 282.368 3.510 50 30 CHEARN C=CCC(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 ZINC000011818510 170443455 /nfs/dbraw/zinc/44/34/55/170443455.db2.gz LYPNWCDGEIVMQV-QGZVFWFLSA-N 0 0 286.419 3.789 50 30 CHEARN N#Cc1c2c(sc1/N=C/c1cccs1)CCC2 ZINC000013116067 170533107 /nfs/dbraw/zinc/53/31/07/170533107.db2.gz PQDKZDOAEAIAGE-OVCLIPMQSA-N 0 0 258.371 3.921 50 30 CHEARN CC(C)N(C(=S)NCc1ccccc1)C(C)C ZINC000013518555 170557540 /nfs/dbraw/zinc/55/75/40/170557540.db2.gz MOJOSEFOLQPNRJ-UHFFFAOYSA-N 0 0 250.411 3.591 50 30 CHEARN O=C1C=C(Nc2ccc(Cc3ccncc3)cc2)CCC1 ZINC000016401952 170696482 /nfs/dbraw/zinc/69/64/82/170696482.db2.gz MBTBUJZTQSRZMQ-UHFFFAOYSA-N 0 0 278.355 3.721 50 30 CHEARN CC(Nc1cccc2ccccc21)=C1C(=O)C=C(C)OC1=O ZINC000017023818 170723014 /nfs/dbraw/zinc/72/30/14/170723014.db2.gz SJTIKPVDDRTOHX-ATVHPVEESA-N 0 0 293.322 3.555 50 30 CHEARN N#Cc1c(N)nc2c(c1-c1ccccc1)CCc1ccccc1-2 ZINC000019095725 170752226 /nfs/dbraw/zinc/75/22/26/170752226.db2.gz QLRABALSHCEMPD-UHFFFAOYSA-N 0 0 297.361 3.968 50 30 CHEARN COc1cc(C#N)ccc1OCc1ccc(Cl)s1 ZINC000019805054 170874169 /nfs/dbraw/zinc/87/41/69/170874169.db2.gz WKUAPMKPLSLAGM-UHFFFAOYSA-N 0 0 279.748 3.861 50 30 CHEARN CC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccccc1 ZINC000019848016 170896955 /nfs/dbraw/zinc/89/69/55/170896955.db2.gz DJZZJABZXHWXKR-QAPCUYQASA-N 0 0 280.323 3.625 50 30 CHEARN Cc1noc2c1[C@@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000020745045 171271251 /nfs/dbraw/zinc/27/12/51/171271251.db2.gz QDMHWERSXWPYGT-CQSZACIVSA-N 0 0 286.356 3.609 50 30 CHEARN Cc1cc(-c2ccc(C#N)cc2)nc2cc3c(cc12)OCO3 ZINC000022463267 171388421 /nfs/dbraw/zinc/38/84/21/171388421.db2.gz OEUKAIAEQIOISN-UHFFFAOYSA-N 0 0 288.306 3.811 50 30 CHEARN COc1ccc(F)cc1C(=O)/C=C/c1cccc(C#N)c1 ZINC000023609588 171424107 /nfs/dbraw/zinc/42/41/07/171424107.db2.gz YWNRICTUXCNJOF-FNORWQNLSA-N 0 0 281.286 3.602 50 30 CHEARN Cc1sc(NC(=O)N2CCCCCC2)c(C#N)c1C ZINC000024562023 171437134 /nfs/dbraw/zinc/43/71/34/171437134.db2.gz STWSAQPRSCKEBU-UHFFFAOYSA-N 0 0 277.393 3.645 50 30 CHEARN O=C1/C(=C/c2ccc(Cl)c(Cl)c2)N2CCC1CC2 ZINC000033289553 171778103 /nfs/dbraw/zinc/77/81/03/171778103.db2.gz BBPIJAHKBWZYBU-JYRVWZFOSA-N 0 0 282.170 3.629 50 30 CHEARN Cc1cccc(-c2cc(-c3cccnc3)c(C#N)c(N)n2)c1 ZINC000033789981 171820966 /nfs/dbraw/zinc/82/09/66/171820966.db2.gz GPTHBIGWCVKCLU-UHFFFAOYSA-N 0 0 286.338 3.573 50 30 CHEARN Cc1c(/C=C\C(=O)c2ccc(C(C)C)cc2)cnn1C ZINC000035190486 172044440 /nfs/dbraw/zinc/04/44/40/172044440.db2.gz PHLRDJXHXHHVHR-KTKRTIGZSA-N 0 0 268.360 3.748 50 30 CHEARN CCN(CC)c1nc(-c2ccccc2)c(C)c(C#N)c1C#N ZINC000035324058 172126383 /nfs/dbraw/zinc/12/63/83/172126383.db2.gz AOGGVDORTDKIFA-UHFFFAOYSA-N 0 0 290.370 3.647 50 30 CHEARN C=C(C)Cn1c(C(=O)NCCC)cc2sc(C)cc21 ZINC000037542506 173263859 /nfs/dbraw/zinc/26/38/59/173263859.db2.gz KIBROLZHXQHARY-UHFFFAOYSA-N 0 0 276.405 3.727 50 30 CHEARN O=C(/C=C/c1cc(F)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000040139510 174193657 /nfs/dbraw/zinc/19/36/57/174193657.db2.gz IVTWQCARNNBRLT-FPYGCLRLSA-N 0 0 289.237 3.769 50 30 CHEARN CCOc1cccc(/C=C2/Cc3c(cccc3O)C2=O)c1 ZINC000040139829 174194052 /nfs/dbraw/zinc/19/40/52/174194052.db2.gz VRGOFSKFIATBKW-LCYFTJDESA-N 0 0 280.323 3.613 50 30 CHEARN C=CCn1c(C)nnc1SCc1cccc2cccnc21 ZINC000040477984 174283279 /nfs/dbraw/zinc/28/32/79/174283279.db2.gz MWGFLYPQEDKCTA-UHFFFAOYSA-N 0 0 296.399 3.613 50 30 CHEARN CC(C)c1ccc(CNC(=O)c2ccc(C#N)cc2)cc1 ZINC000044316398 175162442 /nfs/dbraw/zinc/16/24/42/175162442.db2.gz GBQTZTFRHFMAJD-UHFFFAOYSA-N 0 0 278.355 3.612 50 30 CHEARN Cc1ccc(-c2nc(NC(=O)C=Cc3ccco3)n[nH]2)cc1 ZINC000044459769 175177154 /nfs/dbraw/zinc/17/71/54/175177154.db2.gz LKTSVKPRCKHSPB-HJWRWDBZSA-N 0 0 294.314 3.675 50 30 CHEARN C[C@H](Nc1ccc(C#N)cn1)c1ccc(OC(F)F)cc1 ZINC000044724843 175237598 /nfs/dbraw/zinc/23/75/98/175237598.db2.gz FHCPUFVPQRVULG-JTQLQIEISA-N 0 0 289.285 3.728 50 30 CHEARN CC(C)=CCC[C@H](C)OS(=O)(=O)c1ccc(C)cc1 ZINC000045071657 175301112 /nfs/dbraw/zinc/30/11/12/175301112.db2.gz YQUVVXHOSZUKBR-AWEZNQCLSA-N 0 0 282.405 3.835 50 30 CHEARN N#Cc1ccc(OCCOc2ccc3ncccc3c2)cc1 ZINC000065206066 175703986 /nfs/dbraw/zinc/70/39/86/175703986.db2.gz KYOHVRLCVDEVKB-UHFFFAOYSA-N 0 0 290.322 3.564 50 30 CHEARN O=C(c1ccc(Cl)cc1)[C@H]1O[C@H]1C(Cl)(Cl)Cl ZINC000071771530 176262501 /nfs/dbraw/zinc/26/25/01/176262501.db2.gz YAIYJBDYMUOYEZ-RKDXNWHRSA-N 0 0 299.968 3.660 50 30 CHEARN N#Cc1nnc2ccccc2c1Oc1ccc2ncccc2c1 ZINC000071920627 176300363 /nfs/dbraw/zinc/30/03/63/176300363.db2.gz IULUMPPVGKCIHX-UHFFFAOYSA-N 0 0 298.305 3.842 50 30 CHEARN O=C(/C=C/c1cccc(Br)c1)c1ccco1 ZINC000071977216 176306980 /nfs/dbraw/zinc/30/69/80/176306980.db2.gz ALEXOHUGRROEJA-VOTSOKGWSA-N 0 0 277.117 3.938 50 30 CHEARN Cc1ccsc1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000078665192 177368564 /nfs/dbraw/zinc/36/85/64/177368564.db2.gz LHOBCZDPDFGLSO-UHFFFAOYSA-N 0 0 287.388 3.737 50 30 CHEARN O=C(NCc1cc(Cl)sc1Cl)[C@H]1CCC(=O)N1 ZINC000329119102 227310124 /nfs/dbraw/zinc/31/01/24/227310124.db2.gz OXNGZSCWULXXPG-ZCFIWIBFSA-N 0 0 293.175 3.630 50 30 CHEARN Cc1nc(C)c(C(=O)N[C@@H](c2cccs2)C2CC2)o1 ZINC000329829537 227961436 /nfs/dbraw/zinc/96/14/36/227961436.db2.gz DSMNHTCQUXLOOQ-GFCCVEGCSA-N 0 0 276.361 3.809 50 30 CHEARN CCN(Cc1ccn(C(C)C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000071909859 260274687 /nfs/dbraw/zinc/27/46/87/260274687.db2.gz YQGDCRGJFXCFSX-HNNXBMFYSA-N 0 0 296.418 3.919 50 30 CHEARN C#CCOc1ccc(/C=C/C(=O)c2ccccc2)cc1OC ZINC000004619891 326811826 /nfs/dbraw/zinc/81/18/26/326811826.db2.gz WQTLAZPUPGJBGZ-PKNBQFBNSA-N 0 0 292.334 3.603 50 30 CHEARN C/C(=N\OC(=O)c1ccc(C(F)(F)F)cc1)c1ccc[nH]1 ZINC000066329115 327079812 /nfs/dbraw/zinc/07/98/12/327079812.db2.gz SGQYTPSZIPVIOE-DJKKODMXSA-N 0 0 296.248 3.615 50 30 CHEARN C=CC[C@@H]1[C@H]2CC3(OCCO3)C(=C)[C@@]2(CC=O)CC1(C)C ZINC000071786075 328755018 /nfs/dbraw/zinc/75/50/18/328755018.db2.gz XXJWEBQBPKWCAG-BFYDXBDKSA-N 0 0 290.403 3.503 50 30 CHEARN CSc1ccc(/C=C\c2ncccc2C#N)cc1 ZINC000486075562 331930781 /nfs/dbraw/zinc/93/07/81/331930781.db2.gz ITFYQZNSASCKMU-TWGQIWQCSA-N 0 0 252.342 3.846 50 30 CHEARN C(=NN=c1[nH]c2ccccc2o1)c1c[nH]c2ccccc12 ZINC000055456080 518380436 /nfs/dbraw/zinc/38/04/36/518380436.db2.gz HUVARDVZCXUVNV-ZDLGFXPLSA-N 0 0 276.299 3.755 50 30 CHEARN CC(=CC(=O)c1cccnc1)Nc1ccc(C)cc1 ZINC000008572910 518431525 /nfs/dbraw/zinc/43/15/25/518431525.db2.gz QKXUKAUFFRTIFS-JLHYYAGUSA-N 0 0 252.317 3.589 50 30 CHEARN C=CCC1(CC=C)CCCN1C(=O)c1cccc(C#N)c1 ZINC000067975594 518691212 /nfs/dbraw/zinc/69/12/12/518691212.db2.gz DHNRMIAGOHWRAU-UHFFFAOYSA-N 0 0 280.371 3.685 50 30 CHEARN C=CCCC(=O)N(CCc1cccs1)Cc1ccoc1 ZINC000090748158 518692644 /nfs/dbraw/zinc/69/26/44/518692644.db2.gz VVBWTEKWVBXVDO-UHFFFAOYSA-N 0 0 289.400 3.879 50 30 CHEARN C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1ccco1 ZINC000055358215 519119258 /nfs/dbraw/zinc/11/92/58/519119258.db2.gz KKUJHUHFWAEUDM-GJZGRUSLSA-N 0 0 271.360 3.961 50 30 CHEARN CC#CC(=O)N1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000330032674 519330714 /nfs/dbraw/zinc/33/07/14/519330714.db2.gz QKHCDFCTYXWUJH-XHDPSFHLSA-N 0 0 295.304 3.638 50 30 CHEARN CC(C)[C@](O)(C#Cc1ccccc1)c1ccccc1 ZINC000067319249 519829724 /nfs/dbraw/zinc/82/97/24/519829724.db2.gz GJXAWAHGOKKENH-GOSISDBHSA-N 0 0 250.341 3.582 50 30 CHEARN CCCCCCCCOC(=O)c1ccccc1O ZINC000001651839 520041405 /nfs/dbraw/zinc/04/14/05/520041405.db2.gz WCJLCOAEJIHPCW-UHFFFAOYSA-N 0 0 250.338 3.910 50 30 CHEARN CCCCN(CC#Cc1ccccc1)C(=O)c1occc1C ZINC000055042113 520441132 /nfs/dbraw/zinc/44/11/32/520441132.db2.gz FOXDTFLENNDXKP-UHFFFAOYSA-N 0 0 295.382 3.882 50 30 CHEARN CCCCOC(=O)N(CCC)OC(=O)Nc1ccccc1 ZINC000003155004 520715249 /nfs/dbraw/zinc/71/52/49/520715249.db2.gz OKHKHDXVIZSCBR-UHFFFAOYSA-N 0 0 294.351 3.799 50 30 CHEARN CCOc1ccc(/C=N/OC(=O)/C=C/c2ccccc2)cc1 ZINC000000044339 520853389 /nfs/dbraw/zinc/85/33/89/520853389.db2.gz JCUUFOJYTJIZBH-NIEGGPFSSA-N 0 0 295.338 3.676 50 30 CHEARN CN(CC(F)(F)F)C(=O)Nc1cccc2ccsc21 ZINC000330031918 522577715 /nfs/dbraw/zinc/57/77/15/522577715.db2.gz FXTJCIJVJSBXAA-UHFFFAOYSA-N 0 0 288.294 3.941 50 30 CHEARN Cc1ccccc1Nc1nnc(SCCCC#N)s1 ZINC000006650096 534825054 /nfs/dbraw/zinc/82/50/54/534825054.db2.gz ABYKVNDYZZJSSW-UHFFFAOYSA-N 0 0 290.417 3.986 50 30 CHEARN O=C(CCC1CCCCC1)NCC#Cc1ccccc1 ZINC000055103591 526406350 /nfs/dbraw/zinc/40/63/50/526406350.db2.gz NTAIEBMABFXVEX-UHFFFAOYSA-N 0 0 269.388 3.515 50 30 CHEARN N#CC(=NNc1ccccc1)C(=N)SCc1ccccc1 ZINC000000058508 526428138 /nfs/dbraw/zinc/42/81/38/526428138.db2.gz ODQZYCYPZXTWMB-ALKJHRAUSA-N 0 0 294.383 3.889 50 30 CHEARN C=CCOc1ccccc1NC(=O)COc1ccc(C)cc1 ZINC000009815098 526952056 /nfs/dbraw/zinc/95/20/56/526952056.db2.gz QQXPSWXBFIQRHS-UHFFFAOYSA-N 0 0 297.354 3.577 50 30 CHEARN C=CC[C@H]1CC=C[C@H](C)N1C(=O)OCc1ccccc1 ZINC000001456593 527222799 /nfs/dbraw/zinc/22/27/99/527222799.db2.gz ZIHKRMPHQOGTEV-HOCLYGCPSA-N 0 0 271.360 3.918 50 30 CHEARN CC[C@@H]1/C(=N\O)C[C@@H](c2ccco2)N[C@H]1c1ccco1 ZINC000004892908 529261260 /nfs/dbraw/zinc/26/12/60/529261260.db2.gz RJPIWROLZXALRW-QIJYZIRSSA-N 0 0 274.320 3.505 50 30 CHEARN C/C(=N/OC(=O)c1ccc(F)cc1)c1ccc(C)cc1 ZINC000012403931 537705875 /nfs/dbraw/zinc/70/58/75/537705875.db2.gz KFKKOMPVTPPYPO-PDGQHHTCSA-N 0 0 271.291 3.715 50 30 CHEARN Oc1ccccc1/C=N/c1ccc(Br)cc1 ZINC000013406338 567865951 /nfs/dbraw/zinc/86/59/51/567865951.db2.gz VWAMOQWOPYDCQR-OQLLNIDSSA-N 0 0 276.133 3.905 50 30 CHEARN C(=N/[C@@H](/N=C\c1ccco1)c1ccco1)\c1ccco1 ZINC000245325198 566828165 /nfs/dbraw/zinc/82/81/65/566828165.db2.gz CYGDSXFTXXFMNI-UVAHLPAUSA-N 0 0 268.272 3.702 50 30 CHEARN Cc1ccccc1NC=C1C(=O)c2ccccc2N1C ZINC000210954798 566830243 /nfs/dbraw/zinc/83/02/43/566830243.db2.gz XTDBYQURCFUCMU-LFIBNONCSA-N 0 0 264.328 3.581 50 30 CHEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C ZINC000253637080 566831593 /nfs/dbraw/zinc/83/15/93/566831593.db2.gz YOWOBPTVMDFSMZ-ZRNYENFQSA-N 0 0 296.410 3.557 50 30 CHEARN Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000001067154 566838626 /nfs/dbraw/zinc/83/86/26/566838626.db2.gz DBJQFJPOFUQNCV-CYBMUJFWSA-N 0 0 296.395 3.986 50 30 CHEARN CCC[C@@H]1CCc2c(C#N)c(NC(=O)OC)sc2C1 ZINC000001053684 566838738 /nfs/dbraw/zinc/83/87/38/566838738.db2.gz RXKNDHBGJWKOGN-SECBINFHSA-N 0 0 278.377 3.703 50 30 CHEARN CCC(CC)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000004144818 566863193 /nfs/dbraw/zinc/86/31/93/566863193.db2.gz FXLNDFDCEBCIIG-UHFFFAOYSA-N 0 0 276.405 3.873 50 30 CHEARN C=C(C)C(=O)OC1c2ccccc2-c2ccccc21 ZINC000071773545 566866281 /nfs/dbraw/zinc/86/62/81/566866281.db2.gz IFAFXDPXPSZLKZ-UHFFFAOYSA-N 0 0 250.297 3.876 50 30 CHEARN C#CCN(C(=O)c1cc2ccccc2[nH]1)C1CCCCC1 ZINC000058004160 566874670 /nfs/dbraw/zinc/87/46/70/566874670.db2.gz IBJGBESBCOSDSF-UHFFFAOYSA-N 0 0 280.371 3.576 50 30 CHEARN CN(C)c1ccc(/C=C/C(=O)[C@@H]2C[C@@H](CC#N)C2(C)C)cc1 ZINC000001410169 566875929 /nfs/dbraw/zinc/87/59/29/566875929.db2.gz MABQUJOTXRTTCV-WNEOQSQQSA-N 0 0 296.414 3.911 50 30 CHEARN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)OCc1ccccc1 ZINC000095495843 566878232 /nfs/dbraw/zinc/87/82/32/566878232.db2.gz GCXQMBRAJZBHMG-GASCZTMLSA-N 0 0 257.333 3.506 50 30 CHEARN N#Cc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000019841160 566886382 /nfs/dbraw/zinc/88/63/82/566886382.db2.gz OVXJOVLQFBGKNA-UHFFFAOYSA-N 0 0 264.206 3.764 50 30 CHEARN C=C(Cl)COc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000004803428 566889974 /nfs/dbraw/zinc/88/99/74/566889974.db2.gz AHVUSXDVJBOFQZ-UHFFFAOYSA-N 0 0 290.746 3.721 50 30 CHEARN CC(=O)c1c(C)c(C#N)sc1Cc1ccccc1 ZINC000001453003 566892552 /nfs/dbraw/zinc/89/25/52/566892552.db2.gz HCGFLUYZDOIPEB-UHFFFAOYSA-N 0 0 255.342 3.722 50 30 CHEARN C=CCN(CC=C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002147337 566901696 /nfs/dbraw/zinc/90/16/96/566901696.db2.gz PXNZFOSKKIVWFW-UHFFFAOYSA-N 0 0 284.281 3.911 50 30 CHEARN Cc1cccc(C)c1/N=C/c1ccccc1[N+](=O)[O-] ZINC000002171591 566913537 /nfs/dbraw/zinc/91/35/37/566913537.db2.gz HMLXFXNXZZMTLP-MHWRWJLKSA-N 0 0 254.289 3.962 50 30 CHEARN CC(C)[C@@H]1CC[C@H]2C[C@@H]3O[C@@]34CC[C@H](C4)CC(=O)[C@@H]21 ZINC000071786490 566917169 /nfs/dbraw/zinc/91/71/69/566917169.db2.gz VSBUDEPPTQGEIN-ZOGPMHITSA-N 0 0 262.393 3.585 50 30 CHEARN Fc1ccc(/C=N/CC/N=C/c2ccc(F)cc2)cc1 ZINC000083318925 566918979 /nfs/dbraw/zinc/91/89/79/566918979.db2.gz BUVGSMGTCXQKPR-AYKLPDECSA-N 0 0 272.298 3.503 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1 ZINC000003979084 566975537 /nfs/dbraw/zinc/97/55/37/566975537.db2.gz HVAKUYCEWDPRCA-IZZDOVSWSA-N 0 0 298.338 3.609 50 30 biogenic,in-man CHEARN CCC(C)(C)c1ccc(Oc2nccnc2C#N)cc1 ZINC000054379771 566988684 /nfs/dbraw/zinc/98/86/84/566988684.db2.gz ZENJOXLTVIFDJK-UHFFFAOYSA-N 0 0 267.332 3.828 50 30 CHEARN Cc1n[nH]cc1-c1ccc(C2(C#N)CCCC2)cc1 ZINC000426690533 566990832 /nfs/dbraw/zinc/99/08/32/566990832.db2.gz GAGOQHVDQLDXEG-UHFFFAOYSA-N 0 0 251.333 3.721 50 30 CHEARN N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)cc1 ZINC000036395738 567002226 /nfs/dbraw/zinc/00/22/26/567002226.db2.gz ZPPBIPYUGJCEQA-OAHLLOKOSA-N 0 0 282.368 3.597 50 30 CHEARN Cc1cc(F)ccc1NC(=O)N[C@H](CC#N)c1ccccc1 ZINC000170600037 567013635 /nfs/dbraw/zinc/01/36/35/567013635.db2.gz GZIYHAHLLOJWNB-MRXNPFEDSA-N 0 0 297.333 3.911 50 30 CHEARN C=CCn1c(C)cc(-c2csc(NC(=O)CC)n2)c1C ZINC000010255396 567018039 /nfs/dbraw/zinc/01/80/39/567018039.db2.gz WMIYOYDBMPHMPV-UHFFFAOYSA-N 0 0 289.404 3.763 50 30 CHEARN Cc1[nH]c2ccccc2c1C=Nc1ccc(O)cc1 ZINC000252460204 567052470 /nfs/dbraw/zinc/05/24/70/567052470.db2.gz CNPNCAOCVPCUOV-UHFFFAOYSA-N 0 0 250.301 3.933 50 30 CHEARN CC(=NO)c1ccc2c(c1)c1cc(C(C)=NO)ccc1n2C ZINC000252467353 567054168 /nfs/dbraw/zinc/05/41/68/567054168.db2.gz FLWJMRMCBRKRPD-UHFFFAOYSA-N 0 0 295.342 3.728 50 30 CHEARN C[C@@H](Nc1ncnc2cccc(F)c21)c1cccc(C#N)c1 ZINC000170644295 567060107 /nfs/dbraw/zinc/06/01/07/567060107.db2.gz ZUOSHLPORAGHFR-LLVKDONJSA-N 0 0 292.317 3.814 50 30 CHEARN CC1(C)C[C@H](O)c2cc(N[C@H]3CCC[C@H](C#N)C3)ccc21 ZINC000252498830 567061023 /nfs/dbraw/zinc/06/10/23/567061023.db2.gz RNBKJNTXQNBLLB-DCGLDWPTSA-N 0 0 284.403 3.896 50 30 CHEARN CC(C)=C[C@@H]1[C@H](C(=O)N[C@]2(C#N)CCC[C@H](C)C2)C1(C)C ZINC000252515222 567062883 /nfs/dbraw/zinc/06/28/83/567062883.db2.gz HWZUYTMXTHSULC-LUXYFRNMSA-N 0 0 288.435 3.813 50 30 CHEARN O=[N+]([O-])c1ccc(/C=C/C=Nc2ccccc2O)cc1 ZINC000252610034 567065296 /nfs/dbraw/zinc/06/52/96/567065296.db2.gz HYFJDUBKWVILOC-KJFCXQQNSA-N 0 0 268.272 3.716 50 30 CHEARN Fc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000252593483 567066113 /nfs/dbraw/zinc/06/61/13/567066113.db2.gz BKGJCLRGSVEPEN-UHFFFAOYSA-N 0 0 271.320 3.881 50 30 CHEARN CC(=O)Nc1ccc(N=Cc2cn(C)c3ccccc23)cc1 ZINC000252620923 567067115 /nfs/dbraw/zinc/06/71/15/567067115.db2.gz MPGFGIDXYKZAJQ-UHFFFAOYSA-N 0 0 291.354 3.887 50 30 CHEARN COc1ccc(N=C(C)c2nc3ccccc3[nH]2)cc1 ZINC000252623976 567067292 /nfs/dbraw/zinc/06/72/92/567067292.db2.gz PDKGBWYTUZEXOM-UHFFFAOYSA-N 0 0 265.316 3.712 50 30 CHEARN C=CCNc1nc2c3ccccc3n(C(C)=O)c2s1 ZINC000002230107 567072075 /nfs/dbraw/zinc/07/20/75/567072075.db2.gz CJPAZMFNJCZKDG-UHFFFAOYSA-N 0 0 271.345 3.509 50 30 CHEARN C1=C[C@H]2C[C@]3(O[C@@]34C[C@H]3C=C[C@H]5C=C[C@H]4[C@H]53)[C@@H]3C=C[C@@H]1[C@@H]23 ZINC000101138936 567090639 /nfs/dbraw/zinc/09/06/39/567090639.db2.gz ALTBPBKUUKCVED-GHPMHIFDSA-N 0 0 276.379 3.510 50 30 CHEARN Cc1ccccc1-c1nc(C#N)c(NCc2ccco2)o1 ZINC000000468395 567104240 /nfs/dbraw/zinc/10/42/40/567104240.db2.gz SMTUPGSVCXEPHW-UHFFFAOYSA-N 0 0 279.299 3.727 50 30 CHEARN Cc1ccc2[nH]c(CSc3nc(C)ccc3C#N)nc2c1 ZINC000013116666 567116641 /nfs/dbraw/zinc/11/66/41/567116641.db2.gz UJMMTOFYGMTFAD-UHFFFAOYSA-N 0 0 294.383 3.739 50 30 CHEARN Cc1sc(Cl)nc1C(=O)NC1(C#N)CCCCC1 ZINC000328595683 567118456 /nfs/dbraw/zinc/11/84/56/567118456.db2.gz ALTUWLSCBFMMHQ-UHFFFAOYSA-N 0 0 283.784 3.636 50 30 CHEARN COc1cccc(C(=O)Nc2nc(-c3ccccc3)co2)c1 ZINC000328589920 567119896 /nfs/dbraw/zinc/11/98/96/567119896.db2.gz RPYLVNFEAIYGGA-UHFFFAOYSA-N 0 0 294.310 3.987 50 30 CHEARN N#Cc1ccc(NCc2cccc(C(F)(F)F)c2)nc1 ZINC000019427883 567121023 /nfs/dbraw/zinc/12/10/23/567121023.db2.gz VFOGTRGETURNOS-UHFFFAOYSA-N 0 0 277.249 3.584 50 30 CHEARN N#Cc1c(N)nc(C2CC2)cc1-c1ccc(Cl)cc1 ZINC000019706760 567121937 /nfs/dbraw/zinc/12/19/37/567121937.db2.gz QAXJTDWBIGBWKB-UHFFFAOYSA-N 0 0 269.735 3.733 50 30 CHEARN N#Cc1ccc(NCc2c(F)cccc2Cl)cc1 ZINC000019951494 567125482 /nfs/dbraw/zinc/12/54/82/567125482.db2.gz PWKSFFDHQGXMFN-UHFFFAOYSA-N 0 0 260.699 3.963 50 30 CHEARN CC(C)(C)C(=O)c1ccsc1NC(=O)CC(C)(C)C#N ZINC000278389596 567126920 /nfs/dbraw/zinc/12/69/20/567126920.db2.gz RTTZNTUTERRRBC-UHFFFAOYSA-N 0 0 292.404 3.855 50 30 CHEARN CC(=O)Nc1ccc(/C=C\C(=O)c2ccccc2F)cc1 ZINC000096305129 567140115 /nfs/dbraw/zinc/14/01/15/567140115.db2.gz RMMALSXYPDECQR-FLIBITNWSA-N 0 0 283.302 3.680 50 30 CHEARN O=C(/C=C\c1cccnc1)c1ccc(Br)cc1 ZINC000096305124 567141447 /nfs/dbraw/zinc/14/14/47/567141447.db2.gz BSVUTQHUCAWGDV-BAQGIRSFSA-N 0 0 288.144 3.740 50 30 CHEARN N#CCc1ccc(NCc2csc(C3CC3)n2)cc1 ZINC000097049494 567143277 /nfs/dbraw/zinc/14/32/77/567143277.db2.gz CCRKDDWRCSTVEG-UHFFFAOYSA-N 0 0 269.373 3.699 50 30 CHEARN CCOc1cc(-c2cccs2)[o+]c2ccc(Cl)cc12 ZINC000334157830 567143634 /nfs/dbraw/zinc/14/36/34/567143634.db2.gz ABKZIDOOHZAHSK-PFONDFGASA-N 0 0 291.779 3.776 50 30 CHEARN CCCc1cc(=O)[nH]c(C(=Cc2cc(C#N)cs2)CC)n1 ZINC000225719499 567145529 /nfs/dbraw/zinc/14/55/29/567145529.db2.gz IREAMCZGLYMBCE-KPKJPENVSA-N 0 0 299.399 3.606 50 30 CHEARN CC(C)(C)c1nc(C#N)c(NCc2ccc(F)c(F)c2)o1 ZINC000227155017 567156234 /nfs/dbraw/zinc/15/62/34/567156234.db2.gz OGBMDCVDZUKEHV-UHFFFAOYSA-N 0 0 291.301 3.734 50 30 CHEARN CCOc1nc(-c2ccccc2Cl)ccc1C#N ZINC000003051055 567157434 /nfs/dbraw/zinc/15/74/34/567157434.db2.gz KBPSACAWRNAOLU-UHFFFAOYSA-N 0 0 258.708 3.672 50 30 CHEARN CCN(c1ccc(Nc2ccc(C#N)cn2)cc1)C(C)C ZINC000030539296 567165001 /nfs/dbraw/zinc/16/50/01/567165001.db2.gz HQHWBZRYNQRERH-UHFFFAOYSA-N 0 0 280.375 3.932 50 30 CHEARN N#CCOC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000003330270 567170426 /nfs/dbraw/zinc/17/04/26/567170426.db2.gz PTLPPXMHJPPPSB-UHFFFAOYSA-N 0 0 294.335 3.644 50 30 CHEARN N#Cc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1 ZINC000003356282 567172794 /nfs/dbraw/zinc/17/27/94/567172794.db2.gz BCDIQMMLNDTFMY-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1Cl ZINC000003549015 567178392 /nfs/dbraw/zinc/17/83/92/567178392.db2.gz LNLQRFCCMLLEMY-UHFFFAOYSA-N 0 0 270.719 3.772 50 30 CHEARN COc1ccc(C(C)=NNc2ccccc2)cc1OC ZINC000004050880 567185810 /nfs/dbraw/zinc/18/58/10/567185810.db2.gz GERUPIWLKRBVNV-ATVHPVEESA-N 0 0 270.332 3.540 50 30 CHEARN CCCC[C@H]1CCC[S@@+](c2cc(O)ccc2[O-])C1 ZINC000004084798 567187207 /nfs/dbraw/zinc/18/72/07/567187207.db2.gz JJHMEXRLDBFMEI-SGTLLEGYSA-O 0 0 267.414 3.675 50 30 CHEARN CC(C)(C)O/N=C(/c1ccc(C2CC2)nc1)C1CC1 ZINC000004089729 567187800 /nfs/dbraw/zinc/18/78/00/567187800.db2.gz XIMFDUBOBZOZJT-OBGWFSINSA-N 0 0 258.365 3.888 50 30 CHEARN CC(=O)CSC(F)=C(C(F)(F)F)C(F)(F)F ZINC000004141945 567189928 /nfs/dbraw/zinc/18/99/28/567189928.db2.gz LDWHMJVRGKAIHK-UHFFFAOYSA-N 0 0 270.169 3.614 50 30 CHEARN COc1ccc(O)c(C(=O)/C=C/c2ccc(C)cc2)c1 ZINC000032502208 567192087 /nfs/dbraw/zinc/19/20/87/567192087.db2.gz IVAGZLQFGZGOTC-VQHVLOKHSA-N 0 0 268.312 3.605 50 30 CHEARN Cc1ccc(/N=C/c2c[nH]c3ccccc23)c(O)c1 ZINC000000047188 567816875 /nfs/dbraw/zinc/81/68/75/567816875.db2.gz RWUOFLQCFWKZQH-VCHYOVAHSA-N 0 0 250.301 3.933 50 30 CHEARN CC1(C)CC(=O)C(=CNc2ccc(F)c(Cl)c2)C(=O)C1 ZINC000000095761 567818132 /nfs/dbraw/zinc/81/81/32/567818132.db2.gz GPZVXZKYYOIMFB-UHFFFAOYSA-N 0 0 295.741 3.733 50 30 CHEARN CC(=O)c1ccccc1N[C@H](C#N)c1ccccc1 ZINC000000102295 567818190 /nfs/dbraw/zinc/81/81/90/567818190.db2.gz SKZAGHGTJDLZMI-MRXNPFEDSA-N 0 0 250.301 3.566 50 30 CHEARN CC(=O)Nc1ccc(/C=C2\CCc3ccccc3C2=O)cc1 ZINC000000205702 567822083 /nfs/dbraw/zinc/82/20/83/567822083.db2.gz RERQTUGPOVUEME-FOWTUZBSSA-N 0 0 291.350 3.858 50 30 CHEARN COc1cccc(NC(=S)Nc2ccc(F)cc2)c1 ZINC000000258819 567823093 /nfs/dbraw/zinc/82/30/93/567823093.db2.gz GHSABYPLKMNQKJ-UHFFFAOYSA-N 0 0 276.336 3.864 50 30 CHEARN COc1cc(/C=N/c2cc(C)cc(C)c2)ccc1O ZINC000000297979 567824377 /nfs/dbraw/zinc/82/43/77/567824377.db2.gz SPSPHHQFEWICLN-LICLKQGHSA-N 0 0 255.317 3.768 50 30 CHEARN COC(=O)c1ccc(/N=C/c2ccc(Cl)cc2)cc1 ZINC000000354399 567826406 /nfs/dbraw/zinc/82/64/06/567826406.db2.gz SGHCFBPMDBNWLY-LICLKQGHSA-N 0 0 273.719 3.877 50 30 CHEARN Cc1ccc(C(=O)C=CNc2ccccc2F)cc1 ZINC000000449412 567830700 /nfs/dbraw/zinc/83/07/00/567830700.db2.gz DIWVNSNZPLUXBZ-ZHACJKMWSA-N 0 0 255.292 3.943 50 30 CHEARN O=C1CCCC(=O)C1=CNc1ccc(Cl)c(Cl)c1 ZINC000001392689 567836771 /nfs/dbraw/zinc/83/67/71/567836771.db2.gz ARVYRFJKGCSEAI-UHFFFAOYSA-N 0 0 284.142 3.611 50 30 CHEARN Cn1cccc1[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl ZINC000001385463 567836790 /nfs/dbraw/zinc/83/67/90/567836790.db2.gz JTNPPBPABKEVAW-SECBINFHSA-N 0 0 299.683 3.748 50 30 CHEARN N#C[C@H](c1ccc(Cl)nn1)c1c(F)cccc1Cl ZINC000001397061 567837217 /nfs/dbraw/zinc/83/72/17/567837217.db2.gz WPKNFVRIDSHDLH-SSDOTTSWSA-N 0 0 282.105 3.578 50 30 CHEARN COc1cccc(/C=C2\CCc3ccccc3C2=O)c1OC ZINC000001768026 567843594 /nfs/dbraw/zinc/84/35/94/567843594.db2.gz ZOFLFTGJLVVSTA-WYMLVPIESA-N 0 0 294.350 3.916 50 30 CHEARN Cc1c(/N=C/c2ccc([N+](=O)[O-])s2)cccc1[N+](=O)[O-] ZINC000002891405 567850117 /nfs/dbraw/zinc/85/01/17/567850117.db2.gz VKHHUVIKGHFMBJ-NTUHNPAUSA-N 0 0 291.288 3.624 50 30 CHEARN O=[N+]([O-])c1ccc(NN=Cc2ccccc2Cl)cc1 ZINC000003895201 567854392 /nfs/dbraw/zinc/85/43/92/567854392.db2.gz VYNDYTODNXRKJN-OQLLNIDSSA-N 0 0 275.695 3.694 50 30 CHEARN COc1ccc(/C(C)=N/N=C(\C)c2ccc(OC)cc2)cc1 ZINC000004567353 567858096 /nfs/dbraw/zinc/85/80/96/567858096.db2.gz GHKNYIKKEJMSCR-IWGRKNQJSA-N 0 0 296.370 3.937 50 30 CHEARN C=CCCC(=O)N1CCS[C@@H](c2ccccc2C)CC1 ZINC000219269226 567863629 /nfs/dbraw/zinc/86/36/29/567863629.db2.gz VYOGFFBGBWRZSG-MRXNPFEDSA-N 0 0 289.444 3.968 50 30 CHEARN Cc1ccc([C@H](C)NC(=O)c2cccc(C#N)c2)c(C)c1 ZINC000032610949 567863857 /nfs/dbraw/zinc/86/38/57/567863857.db2.gz MYUFDNWVTXFAAH-AWEZNQCLSA-N 0 0 278.355 3.666 50 30 CHEARN N#Cc1c(=S)[nH]c2c(c1C(F)(F)F)CCc1occc1-2 ZINC000004383909 567864383 /nfs/dbraw/zinc/86/43/83/567864383.db2.gz VKCSJMSORULOSD-UHFFFAOYSA-N 0 0 296.273 3.619 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000012954382 567864454 /nfs/dbraw/zinc/86/44/54/567864454.db2.gz VFNVMOXZNIOBKS-IZZDOVSWSA-N 0 0 267.284 3.799 50 30 CHEARN Clc1ccc(C=NNc2nc3ccccc3[nH]2)cc1 ZINC000013659414 567866807 /nfs/dbraw/zinc/86/68/07/567866807.db2.gz VNPZBFQBRDXABT-CXUHLZMHSA-N 0 0 270.723 3.662 50 30 CHEARN Cc1cc(NC=C2CCCC2=O)ccc1Br ZINC000016282157 567872735 /nfs/dbraw/zinc/87/27/35/567872735.db2.gz HGFLJKDQHRJVJZ-NTMALXAHSA-N 0 0 280.165 3.806 50 30 CHEARN CO/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000017696610 567875921 /nfs/dbraw/zinc/87/59/21/567875921.db2.gz MVKGDHBJUOEZQS-LICLKQGHSA-N 0 0 263.381 3.968 50 30 CHEARN CN(Cc1ccccc1)[C@H](C#N)c1c[nH]c2ccccc21 ZINC000019586513 567878064 /nfs/dbraw/zinc/87/80/64/567878064.db2.gz PGHGKVHLHIBJIH-GOSISDBHSA-N 0 0 275.355 3.865 50 30 CHEARN Cc1ccc(CNc2oc(CC(C)C)nc2C#N)cc1 ZINC000027061396 567883240 /nfs/dbraw/zinc/88/32/40/567883240.db2.gz OPRILTHABMGPCR-UHFFFAOYSA-N 0 0 269.348 3.665 50 30 CHEARN Cc1cccc(-c2nc(C#N)c(N3CCCCC3)o2)c1 ZINC000000468482 567885466 /nfs/dbraw/zinc/88/54/66/567885466.db2.gz SMJAAYGEDFTORN-UHFFFAOYSA-N 0 0 267.332 3.512 50 30 CHEARN C[C@@H](Sc1ccccc1)C(=O)N(CC#N)c1ccccc1 ZINC000057994230 567895397 /nfs/dbraw/zinc/89/53/97/567895397.db2.gz IGHITDBMVNPZBX-CQSZACIVSA-N 0 0 296.395 3.724 50 30 CHEARN Cc1ccccc1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000060085693 567896840 /nfs/dbraw/zinc/89/68/40/567896840.db2.gz JVWIFQJACCTZJV-SOFGYWHQSA-N 0 0 266.296 3.620 50 30 CHEARN N#CC1(c2ccc(Cl)cc2)Cc2ccccc2C1 ZINC000061997379 567897097 /nfs/dbraw/zinc/89/70/97/567897097.db2.gz MWXLEAGTVDJMCR-UHFFFAOYSA-N 0 0 253.732 3.900 50 30 CHEARN Oc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000004676396 567901417 /nfs/dbraw/zinc/90/14/17/567901417.db2.gz HMCZBEORMIKDPZ-UHFFFAOYSA-N 0 0 262.124 3.682 50 30 CHEARN C[C@H]1CCC[C@H](NC(=O)c2ccccc2SCC#N)C1 ZINC000033183861 567901783 /nfs/dbraw/zinc/90/17/83/567901783.db2.gz BZSPTDBNORWIMI-STQMWFEESA-N 0 0 288.416 3.611 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccc3nccnc3c2)cc1 ZINC000023190941 567906635 /nfs/dbraw/zinc/90/66/35/567906635.db2.gz VXLBEUFENVCCIN-YCRREMRBSA-N 0 0 290.322 3.535 50 30 CHEARN CC(=O)C/C(C)=N/c1ccc(Br)cc1 ZINC000101161138 567914628 /nfs/dbraw/zinc/91/46/28/567914628.db2.gz OSCDWHURFKVUBW-MDWZMJQESA-N 0 0 254.127 3.521 50 30 CHEARN C=CCNC(=S)NCCCCCCCCCC ZINC000101362776 567914821 /nfs/dbraw/zinc/91/48/21/567914821.db2.gz UQSUMDRAJQZTCG-UHFFFAOYSA-N 0 0 256.459 3.777 50 30 CHEARN c1ccc(CN2CCS/C2=N/c2ccccc2)cc1 ZINC000101259201 567914842 /nfs/dbraw/zinc/91/48/42/567914842.db2.gz LQRGKVHFSGIRFD-WUKNDPDISA-N 0 0 268.385 3.923 50 30 CHEARN O=C1CC(=O)CC(c2ccccc2C(F)(F)F)C1 ZINC000103566411 567915661 /nfs/dbraw/zinc/91/56/61/567915661.db2.gz RKKIMQUARSSVSM-QMMMGPOBSA-N 0 0 256.223 3.594 50 30 CHEARN N#CCCN(Cc1ccc(F)cc1Cl)CC(F)(F)F ZINC000072308850 567917081 /nfs/dbraw/zinc/91/70/81/567917081.db2.gz HYHHHWQSGMOJRW-UHFFFAOYSA-N 0 0 294.679 3.757 50 30 CHEARN N#CC[C@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000000169039 567924145 /nfs/dbraw/zinc/92/41/45/567924145.db2.gz XILVNJSKZFXRJZ-OAHLLOKOSA-N 0 0 265.312 3.655 50 30 CHEARN Cc1ccc(N/N=C2\Sc3ccccc3C2=O)cc1 ZINC000100719153 567928434 /nfs/dbraw/zinc/92/84/34/567928434.db2.gz YFMADDFFVFAOSW-ICFOKQHNSA-N 0 0 268.341 3.709 50 30 CHEARN CCn1nc(C)c(-c2ccc(C(C)(C)C#N)cc2)c1C ZINC000426477598 567929123 /nfs/dbraw/zinc/92/91/23/567929123.db2.gz RAUVHUNNORDCHJ-UHFFFAOYSA-N 0 0 267.376 3.988 50 30 CHEARN N#Cc1ccc(-c2cn3cc(Cl)ccc3n2)cc1 ZINC000034213313 567932164 /nfs/dbraw/zinc/93/21/64/567932164.db2.gz AHKKVQQCUJXUPP-UHFFFAOYSA-N 0 0 253.692 3.526 50 30 CHEARN c1ccc2c(c1)cccc2NC1=NCCCCS1 ZINC000017209215 567935149 /nfs/dbraw/zinc/93/51/49/567935149.db2.gz WKFNUOKSXONBIU-UHFFFAOYSA-N 0 0 256.374 3.944 50 30 CHEARN O/N=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000100237479 567935760 /nfs/dbraw/zinc/93/57/60/567935760.db2.gz YYEWUCQKHVBSBC-QPEQYQDCSA-N 0 0 266.094 3.517 50 30 CHEARN N#Cc1ccc(SC[C@@H](O)CC(F)(F)F)c(Cl)c1 ZINC000189394263 567938839 /nfs/dbraw/zinc/93/88/39/567938839.db2.gz OOCIVEYJAIPYFG-QMMMGPOBSA-N 0 0 295.713 3.617 50 30 CHEARN COc1ccc(C(=O)/C=C2/Sc3ccccc3N2C)cc1 ZINC000100834802 567939165 /nfs/dbraw/zinc/93/91/65/567939165.db2.gz UQGDGKXDRXRBGM-GZTJUZNOSA-N 0 0 297.379 3.961 50 30 CHEARN CCC/C(Cl)=N\O[P@@](=O)(OCC)N(CC)CC ZINC000100900256 567939380 /nfs/dbraw/zinc/93/93/80/567939380.db2.gz XKMZHPNJYBWOHC-JICACKBISA-N 0 0 284.724 3.842 50 30 CHEARN O=Cc1cc(F)ccc1OC(C(F)(F)F)C(F)(F)F ZINC000169725261 567939550 /nfs/dbraw/zinc/93/95/50/567939550.db2.gz PNUHDZVQENYSOQ-UHFFFAOYSA-N 0 0 290.134 3.510 50 30 CHEARN C[C@@H]1C[C@@H](C)CN(c2cc(C#N)c3ccccc3n2)C1 ZINC000018194580 567940577 /nfs/dbraw/zinc/94/05/77/567940577.db2.gz SOAQIDMASOAYAW-CHWSQXEVSA-N 0 0 265.360 3.589 50 30 CHEARN COc1ccc([C@H](/C(Cl)=N\O)c2ccccc2)cc1 ZINC000101314380 567940962 /nfs/dbraw/zinc/94/09/62/567940962.db2.gz BGBHZWXRIOJFFB-DHSYKJLNSA-N 0 0 275.735 3.854 50 30 CHEARN COc1ccc(/C=C/C(=O)c2cccc(F)c2)c(OC)c1 ZINC000012924290 567940972 /nfs/dbraw/zinc/94/09/72/567940972.db2.gz BVHRCZAYIRZIOP-VQHVLOKHSA-N 0 0 286.302 3.739 50 30 CHEARN CCCCCCC[C@@H]1CC(=O)Nc2c1c(=O)[nH]n2C(C)C ZINC000101710501 567941342 /nfs/dbraw/zinc/94/13/42/567941342.db2.gz YZQWINJYJMZMFX-GFCCVEGCSA-N 0 0 293.411 3.544 50 30 CHEARN CCOC(=O)[C@H](C#N)[C@](C)(c1cccs1)c1ccccc1 ZINC000000532590 567942559 /nfs/dbraw/zinc/94/25/59/567942559.db2.gz QBFZSHHTOKKTFK-WMLDXEAASA-N 0 0 299.395 3.757 50 30 CHEARN CCCc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1 ZINC000000547773 567942977 /nfs/dbraw/zinc/94/29/77/567942977.db2.gz QURYCQIXPCENKQ-VBKFSLOCSA-N 0 0 291.350 3.858 50 30 CHEARN N#CCc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1 ZINC000015029001 567943819 /nfs/dbraw/zinc/94/38/19/567943819.db2.gz LMFUAIXXNYBMGL-UHFFFAOYSA-N 0 0 288.709 3.797 50 30 CHEARN CCOc1ccc(C(=O)C=CNc2ccccc2)cc1 ZINC000051318751 567944201 /nfs/dbraw/zinc/94/42/01/567944201.db2.gz FIQOSDRAFTYSHB-OUKQBFOZSA-N 0 0 267.328 3.894 50 30 CHEARN CCOc1cccc(/C=N/c2ccccc2OCC)c1O ZINC000044835981 567946012 /nfs/dbraw/zinc/94/60/12/567946012.db2.gz YDRLIQGCSBFDCC-LDADJPATSA-N 0 0 285.343 3.940 50 30 CHEARN CC(C)(C)[S@@](=O)/N=C/c1ccccc1C(F)(F)F ZINC000206965591 567946545 /nfs/dbraw/zinc/94/65/45/567946545.db2.gz XYLYYAUYEZIYDC-XSZFBFBBSA-N 0 0 277.311 3.587 50 30 CHEARN CC[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000000311915 567947569 /nfs/dbraw/zinc/94/75/69/567947569.db2.gz GTMGHVKPPOTNTO-INIZCTEOSA-N 0 0 264.328 3.691 50 30 CHEARN COc1ccc(/C=C2/Cc3ccccc3C2=O)cc1OC ZINC000012368248 567948581 /nfs/dbraw/zinc/94/85/81/567948581.db2.gz FJGZVPFZRZDBNC-ZROIWOOFSA-N 0 0 280.323 3.526 50 30 CHEARN CC(C)NC(=S)NN=C1CCC(c2ccccc2)CC1 ZINC000013878997 570221867 /nfs/dbraw/zinc/22/18/67/570221867.db2.gz LXLVZYXPVLVMHG-UHFFFAOYSA-N 0 0 289.448 3.984 50 30 CHEARN C=CCN(CC=C)C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000023155398 570250725 /nfs/dbraw/zinc/25/07/25/570250725.db2.gz VIKBHCJJAOJOAM-UHFFFAOYSA-N 0 0 268.360 3.599 50 30 CHEARN CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(F)cc2)c1 ZINC000033447287 570266710 /nfs/dbraw/zinc/26/67/10/570266710.db2.gz GRFCLYLDLHMARH-YFHOEESVSA-N 0 0 283.302 3.680 50 30 CHEARN Cc1c(CC(C)C)nc(C#N)c(N)c1-c1ccccc1 ZINC000000053801 570271183 /nfs/dbraw/zinc/27/11/83/570271183.db2.gz CRNDUTGMYAELLD-UHFFFAOYSA-N 0 0 265.360 3.709 50 30 CHEARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000033927539 570272751 /nfs/dbraw/zinc/27/27/51/570272751.db2.gz SFJWGZZCTJKFEE-KMKOMSMNSA-N 0 0 271.247 3.630 50 30 CHEARN N#Cc1c2c(c(-c3ccco3)c(C#N)c1N)Cc1ccccc1-2 ZINC000000079790 570273149 /nfs/dbraw/zinc/27/31/49/570273149.db2.gz BCPAKRSHUBORCY-UHFFFAOYSA-N 0 0 297.317 3.843 50 30 CHEARN COc1ccc(CCNC(=S)Nc2ccccc2)cc1 ZINC000013543698 570284695 /nfs/dbraw/zinc/28/46/95/570284695.db2.gz ORBYPCMNAWNBFI-UHFFFAOYSA-N 0 0 286.400 3.636 50 30 CHEARN Cn1c(=S)n(/N=C/c2cccs2)c2ccccc21 ZINC000000529847 570286170 /nfs/dbraw/zinc/28/61/70/570286170.db2.gz UXZMOIULPAWENT-NTEUORMPSA-N 0 0 273.386 3.653 50 30 CHEARN C[C@@H](Cc1ccccc1Cl)Nc1ccc(C#N)cn1 ZINC000049320917 570300311 /nfs/dbraw/zinc/30/03/11/570300311.db2.gz LXHFBCIZGTZDHH-NSHDSACASA-N 0 0 271.751 3.650 50 30 CHEARN Cc1nc2c(s1)c(-c1ccccc1)nnc2SCC#N ZINC000012232843 570300698 /nfs/dbraw/zinc/30/06/98/570300698.db2.gz ZWAMEYNEIUHTEG-UHFFFAOYSA-N 0 0 298.396 3.677 50 30 CHEARN COc1ccc2c(c1)CC/C(=C\c1cccc(O)c1)C2=O ZINC000033466948 570312235 /nfs/dbraw/zinc/31/22/35/570312235.db2.gz YCJRLQLBVQTRKV-NTEUORMPSA-N 0 0 280.323 3.613 50 30 CHEARN C=CCNC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000002950523 570315052 /nfs/dbraw/zinc/31/50/52/570315052.db2.gz AASZUBQRYHINBF-UHFFFAOYSA-N 0 0 261.708 3.516 50 30 CHEARN CC[C@@H](C(=O)Nc1sccc1C#N)c1ccccc1 ZINC000001053459 570323892 /nfs/dbraw/zinc/32/38/92/570323892.db2.gz SMTHXSJMONUFKU-CYBMUJFWSA-N 0 0 270.357 3.752 50 30 CHEARN N#CCc1cc(OC(F)F)c(Cl)cc1Cl ZINC000263623142 570325622 /nfs/dbraw/zinc/32/56/22/570325622.db2.gz FANDXPGGCBQGIK-UHFFFAOYSA-N 0 0 252.047 3.661 50 30 CHEARN N#CCc1cc(Cl)c(OC(F)F)c(Cl)c1 ZINC000263624465 570325650 /nfs/dbraw/zinc/32/56/50/570325650.db2.gz QSVFUHXUVAXMBC-UHFFFAOYSA-N 0 0 252.047 3.661 50 30 CHEARN C[C@H](C#N)Sc1ncc(-c2ccccc2)n1C1CC1 ZINC000012541344 570327351 /nfs/dbraw/zinc/32/73/51/570327351.db2.gz MHGNCEDUTLSHFU-LLVKDONJSA-N 0 0 269.373 3.889 50 30 CHEARN CCCCCCCCCCCCS(=O)(=O)CCCO ZINC000101020164 570337622 /nfs/dbraw/zinc/33/76/22/570337622.db2.gz YZMRGNFPPVQMJZ-UHFFFAOYSA-N 0 0 292.485 3.705 50 30 CHEARN Cc1nc(SCC(=O)c2ccccc2)c(C#N)c(C)c1C ZINC000000108045 570386489 /nfs/dbraw/zinc/38/64/89/570386489.db2.gz OESVEFLEJFXDCW-UHFFFAOYSA-N 0 0 296.395 3.854 50 30 CHEARN N#Cc1ccc(Br)cc1OCc1ccccc1 ZINC000074934309 570391361 /nfs/dbraw/zinc/39/13/61/570391361.db2.gz OVZJRWOAAABUBJ-UHFFFAOYSA-N 0 0 288.144 3.900 50 30 CHEARN CC(C)(C)OC(=O)N[C@@](C)(CS)Cc1ccccc1F ZINC000685950463 570406071 /nfs/dbraw/zinc/40/60/71/570406071.db2.gz QTNQQHHRDNAHDK-OAHLLOKOSA-N 0 0 299.411 3.581 50 30 CHEARN C=CCSc1ncnc2sc3c(c21)CCCC3 ZINC000001778527 1125464652 /nfs/dbraw/zinc/46/46/52/1125464652.db2.gz JDZMFTGEKLOYIT-UHFFFAOYSA-N 0 0 262.403 3.848 50 30 CHEARN CCc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C ZINC000019520997 1120559897 /nfs/dbraw/zinc/55/98/97/1120559897.db2.gz COHDQXVMJVJVOX-UHFFFAOYSA-N 0 0 271.751 3.727 50 30 CHEARN N#Cc1ccccc1SCC(=O)c1ccccc1 ZINC000000163479 1125421999 /nfs/dbraw/zinc/42/19/99/1125421999.db2.gz YYCIPCJTEYDJDU-UHFFFAOYSA-N 0 0 253.326 3.533 50 30 CHEARN CC(C)[C@@H](C)N(Cc1ccco1)C(=O)c1ccccc1C#N ZINC000065374742 1125676457 /nfs/dbraw/zinc/67/64/57/1125676457.db2.gz XSEUNYQFLYMDLW-CQSZACIVSA-N 0 0 296.370 3.838 50 30 CHEARN C=CCNc1nc(-c2ccc(F)cc2)cc(C(F)F)n1 ZINC000036613587 1126748593 /nfs/dbraw/zinc/74/85/93/1126748593.db2.gz ULLDTQQFZOHVPC-UHFFFAOYSA-N 0 0 279.265 3.818 50 30 CHEARN CN1c2ccccc2C(C)(C)/C1=C\C=C\C(=O)C(F)(F)F ZINC000103437111 1126760787 /nfs/dbraw/zinc/76/07/87/1126760787.db2.gz ZDBYBCHZKHWJJW-LMZONGNASA-N 0 0 295.304 3.986 50 30 CHEARN CC1(C)CC(=O)C=C(NN=c2[nH]c3ccccc3s2)C1 ZINC000254481587 1127100032 /nfs/dbraw/zinc/10/00/32/1127100032.db2.gz AYLWTBMUJJNAHR-UHFFFAOYSA-N 0 0 287.388 3.843 50 30 CHEARN CCOc1ccc(/C=C2\Cc3c(cccc3O)C2=O)cc1 ZINC000011335936 1127779431 /nfs/dbraw/zinc/77/94/31/1127779431.db2.gz RSQRONDJKSCAQJ-JLHYYAGUSA-N 0 0 280.323 3.613 50 30 CHEARN COc1ccc(F)cc1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000023609437 1118162243 /nfs/dbraw/zinc/16/22/43/1118162243.db2.gz QUMATGUQKLBBGX-SOFGYWHQSA-N 0 0 281.286 3.602 50 30 CHEARN CC(=NNc1ccccc1Br)c1ccco1 ZINC000022015248 1118174038 /nfs/dbraw/zinc/17/40/38/1118174038.db2.gz JKMDKLZWNURBAP-NTEUORMPSA-N 0 0 279.137 3.878 50 30 CHEARN CC(=O)Nc1cccc(/N=C/c2cc(Cl)ccc2O)c1 ZINC000000222435 1119100365 /nfs/dbraw/zinc/10/03/65/1119100365.db2.gz KQFLCDYMROWSQY-RQZCQDPDSA-N 0 0 288.734 3.755 50 30 CHEARN CC1CCN(CC(=O)Nc2nc3ccccc3s2)CC1 ZINC000051448934 1119575133 /nfs/dbraw/zinc/57/51/33/1119575133.db2.gz CPPOZQRCGQYGLK-UHFFFAOYSA-N 0 0 289.404 3.616 50 30 CHEARN CCOc1ccc2c(c1)C(=O)C(=CN[C@@H](C)CC)S2 ZINC000103067434 1120244969 /nfs/dbraw/zinc/24/49/69/1120244969.db2.gz KZMZHDUGFYSQEY-ADVUTCEVSA-N 0 0 277.389 3.603 50 30 CHEARN CC(C)CC[C@H]1C[C@@H]1C(=O)Nc1ccccc1C#N ZINC000012382193 1120641294 /nfs/dbraw/zinc/64/12/94/1120641294.db2.gz SSBUZOOIRWMMGG-JSGCOSHPSA-N 0 0 256.349 3.569 50 30 CHEARN Cc1sc2ncnc(OCc3ccccc3C#N)c2c1C ZINC000002661181 1120663607 /nfs/dbraw/zinc/66/36/07/1120663607.db2.gz AFHNARRJRSOYNI-UHFFFAOYSA-N 0 0 295.367 3.759 50 30 CHEARN CC(C)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1 ZINC000003432711 1121021887 /nfs/dbraw/zinc/02/18/87/1121021887.db2.gz JEQQGLDDKPEXKT-UHFFFAOYSA-N 0 0 264.328 3.934 50 30 CHEARN C=C(C)COc1ccccc1NC(=O)CCC(F)(F)F ZINC000820530615 1121904578 /nfs/dbraw/zinc/90/45/78/1121904578.db2.gz IUIPTTOIPIOCIW-UHFFFAOYSA-N 0 0 287.281 3.923 50 30 CHEARN CSc1nc(Cl)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000001387648 1123139748 /nfs/dbraw/zinc/13/97/48/1123139748.db2.gz ASPBFSRVAPVCDU-UHFFFAOYSA-N 0 0 275.764 3.699 50 30 CHEARN CC(C)Cc1nc(C#N)c(N[C@@H](C)c2ccccc2)o1 ZINC000001463470 1123491352 /nfs/dbraw/zinc/49/13/52/1123491352.db2.gz NYFKUSXHUSFIET-LBPRGKRZSA-N 0 0 269.348 3.918 50 30 CHEARN C=CCOc1ccc(/C=C2/Oc3cc(O)ccc3C2=O)cc1 ZINC000023053397 1124583140 /nfs/dbraw/zinc/58/31/40/1124583140.db2.gz PIKRIIRWIZZAAL-LICLKQGHSA-N 0 0 294.306 3.573 50 30 CHEARN CCCCCCCCN1C(=O)c2ccccc2C1=O ZINC000001599133 1124655482 /nfs/dbraw/zinc/65/54/82/1124655482.db2.gz QCAXQEVNKBTMIT-UHFFFAOYSA-N 0 0 259.349 3.643 50 30 CHEARN COc1cccc(/C=N/[C@@H](C)c2sc(C)nc2C)c1O ZINC000102140615 1124678084 /nfs/dbraw/zinc/67/80/84/1124678084.db2.gz SXPTXZISOCMZTL-VKPPLCHCSA-N 0 0 290.388 3.654 50 30 CHEARN C=C(C)C[C@@H](C)C(=O)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000585126905 1131320493 /nfs/dbraw/zinc/32/04/93/1131320493.db2.gz KXGOYPJTOUKQEB-GDBMZVCRSA-N 0 0 284.403 3.738 50 30 CHEARN O=C(/C=C\c1ccc(F)cc1F)c1ccc(O)cc1 ZINC000097992937 1129636317 /nfs/dbraw/zinc/63/63/17/1129636317.db2.gz HZMPCLHZHFXPFR-YWEYNIOJSA-N 0 0 260.239 3.567 50 30 CHEARN CCOc1cccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000098008530 1129638421 /nfs/dbraw/zinc/63/84/21/1129638421.db2.gz CHJRKOCDONHVEK-WDZFZDKYSA-N 0 0 297.310 3.890 50 30 CHEARN CNN=C1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000254300851 1129682945 /nfs/dbraw/zinc/68/29/45/1129682945.db2.gz SBVFQTNRIXLYNI-NTDBWNAOSA-N 0 0 298.430 3.824 50 30 CHEARN Cc1csc(=NN=C2CCCCC2)n1Cc1ccco1 ZINC000254404643 1129692957 /nfs/dbraw/zinc/69/29/57/1129692957.db2.gz BUNXLLQYGTZADP-UHFFFAOYSA-N 0 0 289.404 3.720 50 30 CHEARN N#Cc1ccccc1CON=Cc1ccccc1Cl ZINC000254438697 1129694627 /nfs/dbraw/zinc/69/46/27/1129694627.db2.gz CZJFQRYPRYXRMQ-UHFFFAOYSA-N 0 0 270.719 3.762 50 30 CHEARN Oc1ccccc1C=Nc1cccc(-c2c[nH]cn2)c1 ZINC000000255219 1129738771 /nfs/dbraw/zinc/73/87/71/1129738771.db2.gz PCKQEGOEGWLCSH-GIJQJNRQSA-N 0 0 263.300 3.533 50 30 CHEARN C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)NCc1cccs1 ZINC000952961368 1132016793 /nfs/dbraw/zinc/01/67/93/1132016793.db2.gz MJVLEWBCEQRVEQ-CHWSQXEVSA-N 0 0 276.405 3.553 50 30 CHEARN COc1ccc(C(=O)/C=C\c2ccccc2C)cc1OC ZINC000097993089 230388802 /nfs/dbraw/zinc/38/88/02/230388802.db2.gz ZVQUFTOWZNZTAA-NTMALXAHSA-N 0 0 282.339 3.908 50 30 CHEARN C[C@]12CC[C@@H]3[C@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O ZINC000254013602 230401450 /nfs/dbraw/zinc/40/14/50/230401450.db2.gz UMDCOKNNLDEKJB-VWQYPGANSA-N 0 0 286.415 3.655 50 30 CHEARN Cc1occc1C(=O)Nc1ccccc1SCCC#N ZINC000095953480 185040886 /nfs/dbraw/zinc/04/08/86/185040886.db2.gz ZVEJMQLLRKLAMD-UHFFFAOYSA-N 0 0 286.356 3.846 50 30 CHEARN C#CC[C@H](C)OC(=O)c1nc(C)sc1-c1ccccc1 ZINC000095997425 185061117 /nfs/dbraw/zinc/06/11/17/185061117.db2.gz OGLVNIVNOSBVGS-NSHDSACASA-N 0 0 285.368 3.687 50 30 CHEARN Cc1[nH]c2ccc(C(=O)O[C@H](C#N)C(C)(C)C)cc2c1C ZINC000096013293 185065260 /nfs/dbraw/zinc/06/52/60/185065260.db2.gz QXWXHFRYGVJJDP-OAHLLOKOSA-N 0 0 284.359 3.880 50 30 CHEARN N#Cc1ccc(/C=C\C(=O)Nc2cccc3ncccc32)cc1 ZINC000096601812 185107727 /nfs/dbraw/zinc/10/77/27/185107727.db2.gz XXSUVVJSXGMMJA-KHPPLWFESA-N 0 0 299.333 3.758 50 30 CHEARN COC(=O)c1ccc(/C=C\C(=O)c2ccc(C)cc2C)cc1 ZINC000096792664 185114503 /nfs/dbraw/zinc/11/45/03/185114503.db2.gz MHNSDNMBRWVVAO-XFFZJAGNSA-N 0 0 294.350 3.986 50 30 CHEARN O=C(/C=C\c1cccs1)c1ccc(N2CCCC2=O)cc1 ZINC000096893575 185124420 /nfs/dbraw/zinc/12/44/20/185124420.db2.gz NWCUBNMXPGLVKB-KTKRTIGZSA-N 0 0 297.379 3.771 50 30 CHEARN COc1ccc(/C=C\C(=O)c2cc(C)ccc2OC)cc1O ZINC000096891562 185125009 /nfs/dbraw/zinc/12/50/09/185125009.db2.gz SUSUHJVLHXUPHG-ALCCZGGFSA-N 0 0 298.338 3.614 50 30 CHEARN C=CCOc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1 ZINC000096930447 185132312 /nfs/dbraw/zinc/13/23/12/185132312.db2.gz PIKRIIRWIZZAAL-YVLHZVERSA-N 0 0 294.306 3.573 50 30 CHEARN COc1ccc(F)cc1C(=O)/C=C\c1ccc(N(C)C)cc1 ZINC000096973197 185144026 /nfs/dbraw/zinc/14/40/26/185144026.db2.gz BOGNPVZCMSGJKQ-POHAHGRESA-N 0 0 299.345 3.796 50 30 CHEARN N#CC[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000097013628 185151338 /nfs/dbraw/zinc/15/13/38/185151338.db2.gz UBNOQCQZWWWDOE-CYBMUJFWSA-N 0 0 285.278 3.801 50 30 CHEARN CCc1ccc(C(=O)/C=C\c2ccc(O)cc2)cc1 ZINC000096551530 529589515 /nfs/dbraw/zinc/58/95/15/529589515.db2.gz YIJNRSLUKBTIEM-GHXNOFRVSA-N 0 0 252.313 3.851 50 30 CHEARN COc1ccc(C(=O)/C=C\c2csnn2)c2ccccc12 ZINC000097152240 185550414 /nfs/dbraw/zinc/55/04/14/185550414.db2.gz NSHAQACDYXCANX-VURMDHGXSA-N 0 0 296.351 3.596 50 30 CHEARN COCCOc1cccc(/C=C\C(=O)c2cccs2)c1 ZINC000097179511 185556671 /nfs/dbraw/zinc/55/66/71/185556671.db2.gz KDYNWWIDOGCYKC-FPLPWBNLSA-N 0 0 288.368 3.669 50 30 CHEARN CCOC(=O)C/C(=N/c1c(Cl)cccc1Cl)OC ZINC000102313759 185774365 /nfs/dbraw/zinc/77/43/65/185774365.db2.gz UEBJVXHPZRTUME-GDNBJRDFSA-N 0 0 290.146 3.623 50 30 CHEARN N#Cc1csc(CNc2cccc(OCCF)c2)c1 ZINC000089780709 179864890 /nfs/dbraw/zinc/86/48/90/179864890.db2.gz HXRMWGNQGVQDLB-UHFFFAOYSA-N 0 0 276.336 3.580 50 30 CHEARN COC(=O)Nc1ccc(O[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000170609022 188676399 /nfs/dbraw/zinc/67/63/99/188676399.db2.gz ZPWHVYJARLICSS-LBPRGKRZSA-N 0 0 296.326 3.877 50 30 CHEARN N#CCc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000000037204 169513090 /nfs/dbraw/zinc/51/30/90/169513090.db2.gz PGRAUUWGVWWQMR-UHFFFAOYSA-N 0 0 284.746 3.587 50 30 CHEARN O=C(OC1=C(Cl)C(=O)CCC1)c1ccc(Cl)cc1 ZINC000000149085 169554664 /nfs/dbraw/zinc/55/46/64/169554664.db2.gz GVDKBPSZQOVYOG-UHFFFAOYSA-N 0 0 285.126 3.700 50 30 CHEARN Cc1ccc(C)c(/N=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000000273814 169594486 /nfs/dbraw/zinc/59/44/86/169594486.db2.gz UPNBNWVLXAHCNJ-MHWRWJLKSA-N 0 0 254.289 3.962 50 30 CHEARN CC#C[C@H](Cc1ccccc1)OC(=O)Nc1ccccc1 ZINC000000343727 169612372 /nfs/dbraw/zinc/61/23/72/169612372.db2.gz RBGREFJAKPORHV-QGZVFWFLSA-N 0 0 279.339 3.870 50 30 CHEARN CCOC(=O)[C@H](C#N)C1(c2ccsc2)CCCCC1 ZINC000000385830 169626176 /nfs/dbraw/zinc/62/61/76/169626176.db2.gz QTOUBSUSBUHBDW-ZDUSSCGKSA-N 0 0 277.389 3.653 50 30 CHEARN N#Cc1ccc(OC(=O)Nc2ccccc2Cl)cc1 ZINC000000398180 169630352 /nfs/dbraw/zinc/63/03/52/169630352.db2.gz FJUVSNBNTYZBQD-UHFFFAOYSA-N 0 0 272.691 3.823 50 30 CHEARN N#C[C@H](C(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000000404629 169632010 /nfs/dbraw/zinc/63/20/10/169632010.db2.gz YCJMPRBLQDWITE-HNNXBMFYSA-N 0 0 269.731 3.759 50 30 CHEARN COc1cccc(C(=O)C=CNc2ccc(F)cc2F)c1 ZINC000000474114 169649890 /nfs/dbraw/zinc/64/98/90/169649890.db2.gz IGPHQJKOIRBAFU-BQYQJAHWSA-N 0 0 289.281 3.782 50 30 CHEARN COc1ccc([C@H](CC#N)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000000080259 533177653 /nfs/dbraw/zinc/17/76/53/533177653.db2.gz RFPAQGZYPUHWHW-ZBFHGGJFSA-N 0 0 273.376 3.898 50 30 CHEARN CCn1c2ccccc2nc1NN=Cc1ccccc1 ZINC000004663604 260015752 /nfs/dbraw/zinc/01/57/52/260015752.db2.gz GSFRANJCEAPVAX-SFQUDFHCSA-N 0 0 264.332 3.502 50 30 CHEARN COc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O ZINC000000535827 169664420 /nfs/dbraw/zinc/66/44/20/169664420.db2.gz MVUPMRNRHOXJLE-JYRVWZFOSA-N 0 0 272.325 3.681 50 30 CHEARN COc1ccc(OCCn2cc(C#N)c3ccccc32)cc1 ZINC000000555465 169667735 /nfs/dbraw/zinc/66/77/35/169667735.db2.gz OUNPYFJGJWGXCF-UHFFFAOYSA-N 0 0 292.338 3.601 50 30 CHEARN Cc1c(C=O)c2ccccc2n1Cc1ccc(C#N)cc1 ZINC000000578816 169672331 /nfs/dbraw/zinc/67/23/31/169672331.db2.gz KDKLVFPFYFMCEH-UHFFFAOYSA-N 0 0 274.323 3.682 50 30 CHEARN CC1(C)CC(=O)C(=NNc2cccc3ccccc32)C(=O)C1 ZINC000000983410 169684105 /nfs/dbraw/zinc/68/41/05/169684105.db2.gz WWLLVOJRFAYNLJ-UHFFFAOYSA-N 0 0 294.354 3.566 50 30 CHEARN N#Cc1c(Cl)cccc1[C@H](C#N)c1ccccc1 ZINC000001391586 169699311 /nfs/dbraw/zinc/69/93/11/169699311.db2.gz BEFBWKMQJBJPAA-CYBMUJFWSA-N 0 0 252.704 3.867 50 30 CHEARN Cc1snc(S/C=C/C(=O)c2ccccc2)c1C#N ZINC000001391612 169699493 /nfs/dbraw/zinc/69/94/93/169699493.db2.gz RREIZAQATPKATA-BQYQJAHWSA-N 0 0 286.381 3.812 50 30 CHEARN Cc1cc(Cl)n2c3cc(F)c(F)cc3nc2c1C#N ZINC000001427182 169704209 /nfs/dbraw/zinc/70/42/09/169704209.db2.gz ZRMURZLAKFYTGW-UHFFFAOYSA-N 0 0 277.661 3.599 50 30 CHEARN C=CCC1(C(=O)N2CC[C@@H]2c2ccccc2F)CCC1 ZINC000253427708 131143209 /nfs/dbraw/zinc/14/32/09/131143209.db2.gz ALMNSURBHZFEGX-OAHLLOKOSA-N 0 0 273.351 3.846 50 30 CHEARN C=CCN1C(=S)N=NC1[C@H](C)Oc1ccccc1Cl ZINC000002518744 169800626 /nfs/dbraw/zinc/80/06/26/169800626.db2.gz KFMDXJPUPSOPCM-VIFPVBQESA-N 0 0 295.795 3.546 50 30 CHEARN CSc1nc(-c2ccc(Cl)cc2)ccc1C#N ZINC000003128242 169858520 /nfs/dbraw/zinc/85/85/20/169858520.db2.gz UKKIZCIQVYDCAR-UHFFFAOYSA-N 0 0 260.749 3.996 50 30 CHEARN C=C(C)[C@H](C)CNC(=O)c1ccc(Cl)cc1Cl ZINC000003185510 169866273 /nfs/dbraw/zinc/86/62/73/169866273.db2.gz AWBQGROITRNJHA-SECBINFHSA-N 0 0 272.175 3.935 50 30 CHEARN N#Cc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000003324248 169879338 /nfs/dbraw/zinc/87/93/38/169879338.db2.gz NTIQTEALZAJBSD-UHFFFAOYSA-N 0 0 290.244 3.829 50 30 CHEARN C#C[C@]1(C)CC[C@H]2[C@H](O1)c1ccccc1OC2(C)C ZINC000003881662 169919438 /nfs/dbraw/zinc/91/94/38/169919438.db2.gz XJYIHLZPVJZAOI-YSVLISHTSA-N 0 0 256.345 3.717 50 30 biogenic CHEARN O=[N+]([O-])c1ccccc1C=NN=c1[nH]c2ccccc2s1 ZINC000004614172 169989509 /nfs/dbraw/zinc/98/95/09/169989509.db2.gz QMMWOFZCOSPFMY-OQLLNIDSSA-N 0 0 298.327 3.651 50 30 CHEARN Cc1ccc(/C=N/N=C2\C[C@@H](c3ccccc3)N=N2)o1 ZINC000004615653 169990331 /nfs/dbraw/zinc/99/03/31/169990331.db2.gz SSOCPSVYIXAKBI-QMEVUNDVSA-N 0 0 266.304 3.918 50 30 CHEARN CC1=NN([C@@H](C#N)c2ccoc2)[C@@H](c2ccccc2)C1 ZINC000004725056 170006146 /nfs/dbraw/zinc/00/61/46/170006146.db2.gz UCVAGGFEGLDZNG-CVEARBPZSA-N 0 0 265.316 3.667 50 30 CHEARN CC(N=Nc1nc2ccccc2o1)c1ccccc1 ZINC000004747147 170011025 /nfs/dbraw/zinc/01/10/25/170011025.db2.gz XJUBEKUCHDPMEX-BOPFTXTBSA-N 0 0 251.289 3.664 50 30 CHEARN CSC1=N/C(=C\c2cccc(Cl)c2)C(=O)S1 ZINC000004755070 170012222 /nfs/dbraw/zinc/01/22/22/170012222.db2.gz KKIYFHIEOWLPAE-TWGQIWQCSA-N 0 0 269.778 3.673 50 30 CHEARN O=C(C=CNCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000004813133 170021810 /nfs/dbraw/zinc/02/18/10/170021810.db2.gz DZRNYJSDJJJLHO-MDZDMXLPSA-N 0 0 289.737 3.965 50 30 CHEARN COc1ccc2c(c1)CC/C(=C\c1ccsc1)C2=O ZINC000004826066 170024657 /nfs/dbraw/zinc/02/46/57/170024657.db2.gz ZFGFARITSUJBGW-MDWZMJQESA-N 0 0 270.353 3.969 50 30 CHEARN COc1ccccc1[C@@H](CC#N)[C@@H]1CCOC(C)(C)C1 ZINC000004832139 170025920 /nfs/dbraw/zinc/02/59/20/170025920.db2.gz YVMJVMVBULDODL-KGLIPLIRSA-N 0 0 273.376 3.898 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccccc2)cc1OC ZINC000004834708 170026503 /nfs/dbraw/zinc/02/65/03/170026503.db2.gz DJUDWUHRZBILKP-CSKARUKUSA-N 0 0 268.312 3.600 50 30 CHEARN C=CCOc1ccc(C(=O)NC2CCCCCC2)cc1 ZINC000004841424 170027733 /nfs/dbraw/zinc/02/77/33/170027733.db2.gz AOQVZHXJZYABMD-UHFFFAOYSA-N 0 0 273.376 3.704 50 30 CHEARN C#CCN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O ZINC000004873187 170034745 /nfs/dbraw/zinc/03/47/45/170034745.db2.gz AXGHRIUBAKNCPO-PTNGSMBKSA-N 0 0 293.347 3.509 50 30 CHEARN C[C@]1(C(=O)/C=C/c2ccccc2)O[C@H]1c1ccccc1 ZINC000004898810 170038082 /nfs/dbraw/zinc/03/80/82/170038082.db2.gz BUFDWJZETKCZNJ-UCMOUWFMSA-N 0 0 264.324 3.799 50 30 CHEARN CCc1ccc(C(C)=NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004903942 170038935 /nfs/dbraw/zinc/03/89/35/170038935.db2.gz GITOPQDBQPVBNB-ATVHPVEESA-N 0 0 283.331 3.993 50 30 CHEARN CCc1cccc(Nc2ccc([N+](=O)[O-])cc2C#N)c1 ZINC000004906009 170039242 /nfs/dbraw/zinc/03/92/42/170039242.db2.gz IMANFBOJPBBZEI-UHFFFAOYSA-N 0 0 267.288 3.772 50 30 CHEARN CCCSC1=N/C(=C\c2cccc(OC)c2)C(=O)S1 ZINC000004906123 170039818 /nfs/dbraw/zinc/03/98/18/170039818.db2.gz AUNIRNJNTYBOTB-XFXZXTDPSA-N 0 0 293.413 3.809 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1OC ZINC000004949649 170044296 /nfs/dbraw/zinc/04/42/96/170044296.db2.gz QTKUEXSSQYRHHA-WEVVVXLNSA-N 0 0 286.302 3.739 50 30 CHEARN O=[N+]([O-])c1cccc(C=NNc2ccc3ccccc3n2)c1 ZINC000004982227 170048713 /nfs/dbraw/zinc/04/87/13/170048713.db2.gz KMZUXMDECSSILM-GZTJUZNOSA-N 0 0 292.298 3.589 50 30 CHEARN O=[N+]([O-])c1ccc(C=NNc2ccc3ccccc3n2)cc1 ZINC000004995505 170051511 /nfs/dbraw/zinc/05/15/11/170051511.db2.gz XRGFMCDILMNYRT-GZTJUZNOSA-N 0 0 292.298 3.589 50 30 CHEARN c1sc(N=NCc2ccccn2)nc1-c1ccccc1 ZINC000005010219 170055242 /nfs/dbraw/zinc/05/52/42/170055242.db2.gz JTHIWSXJCFHERN-YVLHZVERSA-N 0 0 280.356 3.651 50 30 CHEARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC1CCCC1 ZINC000005041624 170059566 /nfs/dbraw/zinc/05/95/66/170059566.db2.gz KYBMQGGUUSCPKN-UHFFFAOYSA-N 0 0 279.365 3.544 50 30 CHEARN CSC1=N/C(=C\C=C\c2cccs2)C(=O)S1 ZINC000005102400 170066409 /nfs/dbraw/zinc/06/64/09/170066409.db2.gz MYVZLCKDZMGVKR-RXXVAJQJSA-N 0 0 267.400 3.638 50 30 CHEARN N#Cc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 ZINC000005128602 170068977 /nfs/dbraw/zinc/06/89/77/170068977.db2.gz FSEDHFJMNWHTMD-BJMVGYQFSA-N 0 0 251.260 3.593 50 30 CHEARN COc1cccc(/C=N/c2ccc(F)cc2C)c1O ZINC000005289738 170083930 /nfs/dbraw/zinc/08/39/30/170083930.db2.gz RZLASFGZWCBIPK-RQZCQDPDSA-N 0 0 259.280 3.599 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1 ZINC000005361356 170089488 /nfs/dbraw/zinc/08/94/88/170089488.db2.gz JLGALXHJYQIVOM-QPJJXVBHSA-N 0 0 289.312 3.561 50 30 CHEARN CCN(CCC#N)C(=S)Nc1cccc2ccccc21 ZINC000005807687 170142211 /nfs/dbraw/zinc/14/22/11/170142211.db2.gz OTAYPKMFWJETQQ-UHFFFAOYSA-N 0 0 283.400 3.772 50 30 CHEARN N#Cc1c(NC(=O)C2CCCC2)sc2c1CCCC2 ZINC000005897809 170151791 /nfs/dbraw/zinc/15/17/91/170151791.db2.gz PFQBACAQJWHDLO-UHFFFAOYSA-N 0 0 274.389 3.627 50 30 CHEARN O=[N+]([O-])c1ccc(C=NNc2cccc3cccnc32)cc1 ZINC000005945650 170160417 /nfs/dbraw/zinc/16/04/17/170160417.db2.gz LTOSHEJAPUITAN-WOJGMQOQSA-N 0 0 292.298 3.589 50 30 CHEARN C[C@H](SCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000006313941 170190528 /nfs/dbraw/zinc/19/05/28/170190528.db2.gz BYIRIMOWSIJXHY-ZDUSSCGKSA-N 0 0 296.395 3.991 50 30 CHEARN O=C(/C=C/c1ccccc1Cl)c1cccc(O)c1 ZINC000006432869 170200933 /nfs/dbraw/zinc/20/09/33/170200933.db2.gz QNOFSSIICYUGIL-CMDGGOBGSA-N 0 0 258.704 3.942 50 30 CHEARN COc1cc(C(=O)/C=C/c2ccccc2Cl)ccc1O ZINC000006433129 170201002 /nfs/dbraw/zinc/20/10/02/170201002.db2.gz NIHNZOGKXLNJOY-SOFGYWHQSA-N 0 0 288.730 3.950 50 30 CHEARN Cc1nn(C)cc1/C=C/C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006527167 170210255 /nfs/dbraw/zinc/21/02/55/170210255.db2.gz RFMFONVBAQUDDH-ONEGZZNKSA-N 0 0 284.403 3.527 50 30 CHEARN COc1ccc(NC=CC(=O)c2ccccc2)c(OC)c1 ZINC000006565988 170213831 /nfs/dbraw/zinc/21/38/31/170213831.db2.gz LPSGEKBGTGCCCZ-ZHACJKMWSA-N 0 0 283.327 3.512 50 30 CHEARN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000006702005 170229715 /nfs/dbraw/zinc/22/97/15/170229715.db2.gz QYUPTIKCCHBGHL-CQSZACIVSA-N 0 0 294.354 3.581 50 30 CHEARN C#CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1 ZINC000006744228 170238896 /nfs/dbraw/zinc/23/88/96/170238896.db2.gz RBCIJOYLUWCUMV-UHFFFAOYSA-N 0 0 279.339 3.568 50 30 CHEARN COc1ccc(C)cc1/C=C/C(=O)Nc1cccc(C#N)c1 ZINC000006789337 170243796 /nfs/dbraw/zinc/24/37/96/170243796.db2.gz RGUFHIMDXXWNKR-VQHVLOKHSA-N 0 0 292.338 3.527 50 30 CHEARN Cc1ccc(C)c(/C=C/C(=O)c2cccc(O)c2)c1 ZINC000006788716 170244031 /nfs/dbraw/zinc/24/40/31/170244031.db2.gz YKKOOHFIDHLCED-CMDGGOBGSA-N 0 0 252.313 3.905 50 30 CHEARN Cn1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cn1 ZINC000006828140 170247485 /nfs/dbraw/zinc/24/74/85/170247485.db2.gz QSRZOWBOTRXTFR-GORDUTHDSA-N 0 0 281.142 3.623 50 30 CHEARN Cn1cc(Cl)c(C(=O)/C=C/c2c(F)cccc2Cl)n1 ZINC000006925487 170255682 /nfs/dbraw/zinc/25/56/82/170255682.db2.gz LUBMUAQOGMOZMU-AATRIKPKSA-N 0 0 299.132 3.762 50 30 CHEARN N#Cc1ccccc1CSc1nnc(C2CC2)n1C1CC1 ZINC000007007506 170262068 /nfs/dbraw/zinc/26/20/68/170262068.db2.gz LLHMSBWWJJACFE-UHFFFAOYSA-N 0 0 296.399 3.654 50 30 CHEARN Cc1occc1-c1nnc(SCc2ccc(C#N)cc2)o1 ZINC000007195496 170270867 /nfs/dbraw/zinc/27/08/67/170270867.db2.gz DVTNPUNIKOJTLY-UHFFFAOYSA-N 0 0 297.339 3.802 50 30 CHEARN CCCCNc1oc(/C=C/c2ccccc2OC)nc1C#N ZINC000007261763 170274037 /nfs/dbraw/zinc/27/40/37/170274037.db2.gz BPCMYJBUFOUVLO-MDZDMXLPSA-N 0 0 297.358 3.937 50 30 CHEARN C[C@H](C#N)OC(=O)c1sc2cc(F)ccc2c1Cl ZINC000007654799 170296232 /nfs/dbraw/zinc/29/62/32/170296232.db2.gz OICVIQWNSVUGCG-ZCFIWIBFSA-N 0 0 283.711 3.763 50 30 CHEARN CC(C)c1cccc(NC(=O)c2cccc(C#N)c2)c1 ZINC000007689834 170297534 /nfs/dbraw/zinc/29/75/34/170297534.db2.gz SACVVTMLQBAVMZ-UHFFFAOYSA-N 0 0 264.328 3.934 50 30 CHEARN CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1O ZINC000007717894 170298782 /nfs/dbraw/zinc/29/87/82/170298782.db2.gz HMJJWQRCISYMIO-UXBLZVDNSA-N 0 0 282.339 3.995 50 30 CHEARN O=C(/C=C/c1ccc(F)c(F)c1)c1ccc(O)cc1 ZINC000007718012 170299027 /nfs/dbraw/zinc/29/90/27/170299027.db2.gz WXNYDNZGTWPJEY-KRXBUXKQSA-N 0 0 260.239 3.567 50 30 CHEARN COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1O ZINC000007915527 170307545 /nfs/dbraw/zinc/30/75/45/170307545.db2.gz SUSUHJVLHXUPHG-FNORWQNLSA-N 0 0 298.338 3.614 50 30 CHEARN C=CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1 ZINC000008073572 170317505 /nfs/dbraw/zinc/31/75/05/170317505.db2.gz JNHMEHYCJUUVPX-UHFFFAOYSA-N 0 0 297.354 3.902 50 30 CHEARN C#CCOc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1 ZINC000008570557 170341073 /nfs/dbraw/zinc/34/10/73/170341073.db2.gz PPYBZGLNEHJFEF-UHFFFAOYSA-N 0 0 290.322 3.724 50 30 CHEARN Cc1cccc2c1NC(=O)/C2=N/c1ccc(Cl)cc1 ZINC000008656725 170344310 /nfs/dbraw/zinc/34/43/10/170344310.db2.gz ZWUKEUMIJRWGMM-UHFFFAOYSA-N 0 0 270.719 3.721 50 30 CHEARN C=CCN(CC=C)Cc1c(C)[nH]c2ccc(F)cc2c1=O ZINC000008717111 170349144 /nfs/dbraw/zinc/34/91/44/170349144.db2.gz HUWRELOAHAVHNQ-UHFFFAOYSA-N 0 0 286.350 3.562 50 30 CHEARN C=CCN(C(=O)c1noc2c1C[C@H](C)CC2)c1ccccc1 ZINC000009227041 170367682 /nfs/dbraw/zinc/36/76/82/170367682.db2.gz BBGOJMHELCCWRD-CYBMUJFWSA-N 0 0 296.370 3.632 50 30 CHEARN CC(C)C/N=C1\SCC(c2cccc(Cl)c2)=NN1C ZINC000009502267 170379593 /nfs/dbraw/zinc/37/95/93/170379593.db2.gz ORVROJRJWXWVRA-PEZBUJJGSA-N 0 0 295.839 3.735 50 30 CHEARN CCn1c2ccccc2nc1/N=C/c1ccc2c(c1)OCO2 ZINC000009553527 170381039 /nfs/dbraw/zinc/38/10/39/170381039.db2.gz DECOUTWTOJVVHE-VCHYOVAHSA-N 0 0 293.326 3.536 50 30 CHEARN C=C(C)COc1cccc(NC(=O)c2ccccc2)c1 ZINC000009823812 170386388 /nfs/dbraw/zinc/38/63/88/170386388.db2.gz QNHDAAHAYICQDB-UHFFFAOYSA-N 0 0 267.328 3.894 50 30 CHEARN C=CCNC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000012985153 170525924 /nfs/dbraw/zinc/52/59/24/170525924.db2.gz ROVNJCXTFGTWLC-KRWDZBQOSA-N 0 0 280.371 3.570 50 30 CHEARN Cc1sc(NC(=O)Oc2ccccc2)c(C#N)c1C ZINC000012997576 170526665 /nfs/dbraw/zinc/52/66/65/170526665.db2.gz ICTLCRJYSUBUDC-UHFFFAOYSA-N 0 0 272.329 3.848 50 30 CHEARN COC(=O)c1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1 ZINC000013135443 170535376 /nfs/dbraw/zinc/53/53/76/170535376.db2.gz MHNSDNMBRWVVAO-YRNVUSSQSA-N 0 0 294.350 3.986 50 30 CHEARN CC(=CC(=O)c1ccccc1)NCc1ccc(C)cc1 ZINC000013940462 170610079 /nfs/dbraw/zinc/61/00/79/170610079.db2.gz TYTPQCBKIIRPQG-NTCAYCPXSA-N 0 0 265.356 3.871 50 30 CHEARN N#Cc1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000020666557 171269413 /nfs/dbraw/zinc/26/94/13/171269413.db2.gz NSLBAXFNDWLRIM-UHFFFAOYSA-N 0 0 256.286 3.618 50 30 CHEARN CCCn1c2ccccc2nc1-c1ccc(C#N)cc1 ZINC000032750818 171747936 /nfs/dbraw/zinc/74/79/36/171747936.db2.gz HXFFOPYGMGGLJN-UHFFFAOYSA-N 0 0 261.328 3.985 50 30 CHEARN N#Cc1cnc2ccccc2c1NCc1ccccc1 ZINC000037507624 173242284 /nfs/dbraw/zinc/24/22/84/173242284.db2.gz QVHMRDSCPNTVLS-UHFFFAOYSA-N 0 0 259.312 3.719 50 30 CHEARN Cc1cc(/C=C\C(=O)c2cccs2)cc(C)c1O ZINC000038146867 174134480 /nfs/dbraw/zinc/13/44/80/174134480.db2.gz UIRSZQKUUOVMOR-WAYWQWQTSA-N 0 0 258.342 3.967 50 30 CHEARN N#Cc1cc(NC(=O)CC2CCCC2)ccc1Cl ZINC000040023492 174183213 /nfs/dbraw/zinc/18/32/13/174183213.db2.gz LBLJXNGTQKJAOY-UHFFFAOYSA-N 0 0 262.740 3.730 50 30 CHEARN Cc1cc(C(=O)/C=C/c2cccc3c2OCO3)c(C)s1 ZINC000040139724 174193984 /nfs/dbraw/zinc/19/39/84/174193984.db2.gz ZZECEQQUJZPAFE-VOTSOKGWSA-N 0 0 286.352 3.990 50 30 CHEARN CCOc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000040139509 174194166 /nfs/dbraw/zinc/19/41/66/174194166.db2.gz CHJRKOCDONHVEK-IZZDOVSWSA-N 0 0 297.310 3.890 50 30 CHEARN C=C(Cl)CSc1nnc(-c2ccccc2OC)o1 ZINC000040457026 174267585 /nfs/dbraw/zinc/26/75/85/174267585.db2.gz YEBWLGWCTQQQSU-UHFFFAOYSA-N 0 0 282.752 3.590 50 30 CHEARN O=C1C=C(Nc2ccccc2C(F)(F)F)CCC1 ZINC000040488505 174290308 /nfs/dbraw/zinc/29/03/08/174290308.db2.gz FMZMMRUWNOGZEJ-UHFFFAOYSA-N 0 0 255.239 3.754 50 30 CHEARN C=C(Br)Cc1cc(C)c(OC)c(C)c1 ZINC000043208814 174983623 /nfs/dbraw/zinc/98/36/23/174983623.db2.gz ULDBZIDWPYGRDT-UHFFFAOYSA-N 0 0 255.155 3.763 50 30 CHEARN N#Cc1ccc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)nc1 ZINC000071828011 176272266 /nfs/dbraw/zinc/27/22/66/176272266.db2.gz XECSOFQCJQRPQW-FUHWJXTLSA-N 0 0 293.370 3.533 50 30 CHEARN C=C(C)Cc1cc(C)cc(-n2nc3ccccc3n2)c1O ZINC000071973314 176305824 /nfs/dbraw/zinc/30/58/24/176305824.db2.gz HLTVXJZFIFRXDB-UHFFFAOYSA-N 0 0 279.343 3.553 50 30 CHEARN N#Cc1c(F)cccc1N1CCC(c2ccc(O)cc2)CC1 ZINC000072073020 176312272 /nfs/dbraw/zinc/31/22/72/176312272.db2.gz SEMRGJAYQVDSJW-UHFFFAOYSA-N 0 0 296.345 3.787 50 30 CHEARN N#Cc1ccc(N[C@@H](CCO)c2cccs2)cc1Cl ZINC000077236046 177236835 /nfs/dbraw/zinc/23/68/35/177236835.db2.gz NADSZJXQXLTNDQ-ZDUSSCGKSA-N 0 0 292.791 3.809 50 30 CHEARN O=C(Nc1cccc2c1OCC[C@H]2O)c1ccoc1C1CC1 ZINC000328588046 226697180 /nfs/dbraw/zinc/69/71/80/226697180.db2.gz NFBAANATKPDTDV-CQSZACIVSA-N 0 0 299.326 3.609 50 30 CHEARN COc1cccc(C(=O)C[C@@H](C#N)c2ccc(F)cc2)c1 ZINC000001397589 260004468 /nfs/dbraw/zinc/00/44/68/260004468.db2.gz MQOVNIPNHHLRQI-AWEZNQCLSA-N 0 0 283.302 3.714 50 30 CHEARN CCCCCCCSc1nc2nc(C)cc(C)n2n1 ZINC000002492438 260009470 /nfs/dbraw/zinc/00/94/70/260009470.db2.gz LCBGBWNCBKZTJC-UHFFFAOYSA-N 0 0 278.425 3.804 50 30 CHEARN Oc1cccc(CN=Nc2nc(-c3ccccc3)cs2)c1 ZINC000004672702 260016083 /nfs/dbraw/zinc/01/60/83/260016083.db2.gz FYBWJYLGOWNZEK-LICLKQGHSA-N 0 0 295.367 3.962 50 30 CHEARN C#Cc1cccc(NCc2cccc(OCC)c2)c1 ZINC000037678125 260115494 /nfs/dbraw/zinc/11/54/94/260115494.db2.gz HYSLPQMIZPPMFR-UHFFFAOYSA-N 0 0 251.329 3.679 50 30 CHEARN Cc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)o1 ZINC000096483675 534247955 /nfs/dbraw/zinc/24/79/55/534247955.db2.gz IHVQMJVAFFVFND-ZROIWOOFSA-N 0 0 298.367 3.788 50 30 CHEARN C=CCN(Cc1cccc(OC)c1)C(=O)C[C@@H]1C=CCC1 ZINC000055383587 518784603 /nfs/dbraw/zinc/78/46/03/518784603.db2.gz HYPCKOMSRGMBPK-OAHLLOKOSA-N 0 0 285.387 3.566 50 30 CHEARN C=CCNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000005899139 518919837 /nfs/dbraw/zinc/91/98/37/518919837.db2.gz MCWZKEOTIFQDNS-INIZCTEOSA-N 0 0 283.396 3.822 50 30 CHEARN CCCCCCCCSc1ncc(C(=O)OC)n1C ZINC000003134771 520045839 /nfs/dbraw/zinc/04/58/39/520045839.db2.gz KEZZMTDIHFNZCA-UHFFFAOYSA-N 0 0 284.425 3.659 50 30 CHEARN CC[C@@H](NC(=O)C1(C#N)CCCCC1)c1ccccc1 ZINC000050197531 522667776 /nfs/dbraw/zinc/66/77/76/522667776.db2.gz IUYFEVLYKKJGBA-OAHLLOKOSA-N 0 0 270.376 3.728 50 30 CHEARN CN(/C=C/C(=O)/C=C/N(C)c1ccccc1)c1ccccc1 ZINC000003150332 523769414 /nfs/dbraw/zinc/76/94/14/523769414.db2.gz NUVAMSHMRMOLFM-WXUKJITCSA-N 0 0 292.382 3.856 50 30 CHEARN Cc1cccc(-n2ccnc2SC[C@H](C#N)CCC#N)c1 ZINC000066401299 524145310 /nfs/dbraw/zinc/14/53/10/524145310.db2.gz BJXBWJZCQWWLSU-AWEZNQCLSA-N 0 0 296.399 3.716 50 30 CHEARN Cc1cccnc1CNc1c(Cl)cccc1C#N ZINC000301448061 525527774 /nfs/dbraw/zinc/52/77/74/525527774.db2.gz ZZSNQSKRFSCJJS-UHFFFAOYSA-N 0 0 257.724 3.527 50 30 CHEARN Cc1cc(C(=O)/C=C/N(C)C)c2c(c1)[C@@H](C)CC(C)(C)N2 ZINC000334161036 526196293 /nfs/dbraw/zinc/19/62/93/526196293.db2.gz ROQPFXACABRTMC-GWJCSSMESA-N 0 0 286.419 3.951 50 30 CHEARN N#C[C@H](C(=O)C1(c2ccc(F)cc2)CCC1)c1ccccn1 ZINC000049457402 526505051 /nfs/dbraw/zinc/50/50/51/526505051.db2.gz LNIDKTRIDBHBKQ-HNNXBMFYSA-N 0 0 294.329 3.519 50 30 CHEARN N#Cc1c(F)cccc1OCc1ccccc1Cl ZINC000062658912 526525787 /nfs/dbraw/zinc/52/57/87/526525787.db2.gz JZVVUAGSDNVINP-UHFFFAOYSA-N 0 0 261.683 3.930 50 30 CHEARN N#Cc1ncn(CC2CCC(c3ccccc3)CC2)c1C#N ZINC000275680006 526798092 /nfs/dbraw/zinc/79/80/92/526798092.db2.gz OGDPGNBCYLHKMD-UHFFFAOYSA-N 0 0 290.370 3.600 50 30 CHEARN C#Cc1cccc(NC(=O)Nc2ccc(C)cc2)c1 ZINC000032796849 527458075 /nfs/dbraw/zinc/45/80/75/527458075.db2.gz XTLLPJMWBJHINC-UHFFFAOYSA-N 0 0 250.301 3.620 50 30 CHEARN CCCCCCCCCS(=O)(=O)Nc1cc(C)ccn1 ZINC000008683448 528127700 /nfs/dbraw/zinc/12/77/00/528127700.db2.gz MLVWJOFMWDPFCX-UHFFFAOYSA-N 0 0 298.452 3.882 50 30 CHEARN C=C(C)[C@H]1CCC(C)=C1COC(=O)c1ccncc1 ZINC000000526334 567942404 /nfs/dbraw/zinc/94/24/04/567942404.db2.gz XJRKWXZLAWTTGH-CQSZACIVSA-N 0 0 257.333 3.541 50 30 biogenic CHEARN C=CCn1c(=S)[nH]nc1[C@@H](C)Oc1ccc(Cl)cc1 ZINC000000163566 570292999 /nfs/dbraw/zinc/29/29/99/570292999.db2.gz XJJBRAXNGPCVIZ-SECBINFHSA-N 0 0 295.795 3.920 50 30 CHEARN CC(C)(C)OC(=O)N[C@](C)(CS)Cc1ccc(F)cc1 ZINC000685950687 570406023 /nfs/dbraw/zinc/40/60/23/570406023.db2.gz VRESCPDIRZALFS-HNNXBMFYSA-N 0 0 299.411 3.581 50 30 CHEARN N#Cc1ccc(OC(=O)c2ccc(F)cc2Cl)cc1 ZINC000003279745 570327744 /nfs/dbraw/zinc/32/77/44/570327744.db2.gz CGUMCXMVKAKOHC-UHFFFAOYSA-N 0 0 275.666 3.570 50 30 CHEARN C/C(=C\C(=O)N(CC#N)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000083812921 566864079 /nfs/dbraw/zinc/86/40/79/566864079.db2.gz POEGJLHRNKKXTE-AWNIVKPZSA-N 0 0 298.430 3.664 50 30 CHEARN C=CCN(Cc1ccco1)C(=O)c1cc2ccccc2n1C ZINC000055107761 566869148 /nfs/dbraw/zinc/86/91/48/566869148.db2.gz GEIJMEDBZSKQSC-UHFFFAOYSA-N 0 0 294.354 3.600 50 30 CHEARN O=C(c1ccccc1)[C@H]1O[C@@H]1c1ccc(Cl)cc1 ZINC000001389316 566869476 /nfs/dbraw/zinc/86/94/76/566869476.db2.gz QZHVIBAUHZWGCS-HUUCEWRRSA-N 0 0 258.704 3.663 50 30 CHEARN CC(C)(C)NC(=O)O/N=C1\CCCc2c3ccccc3[nH]c21 ZINC000001402258 566875836 /nfs/dbraw/zinc/87/58/36/566875836.db2.gz ISEGDBADKDZURW-XSFVSMFZSA-N 0 0 299.374 3.733 50 30 CHEARN N#Cc1ccc(NC(=O)CC2CCCC2)cc1Cl ZINC000015540270 566883304 /nfs/dbraw/zinc/88/33/04/566883304.db2.gz LVEXHMBEGBAIOJ-UHFFFAOYSA-N 0 0 262.740 3.730 50 30 CHEARN C=CCN(CC=C)C(=O)Nc1cccc(Cl)c1 ZINC000000238986 566902953 /nfs/dbraw/zinc/90/29/53/566902953.db2.gz OCBBVQPZOCEOIS-UHFFFAOYSA-N 0 0 250.729 3.546 50 30 CHEARN CC1=C(C)CC2=C(C1)C(=O)C1=C(CC(C)=C(C)C1)C2=O ZINC000000399616 566909786 /nfs/dbraw/zinc/90/97/86/566909786.db2.gz FIIMOJPPRCYMGC-UHFFFAOYSA-N 0 0 268.356 3.992 50 30 CHEARN CCCCCCCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000001640269 566912009 /nfs/dbraw/zinc/91/20/09/566912009.db2.gz GBKNHPIEICTGKM-UHFFFAOYSA-N 0 0 293.367 3.995 50 30 CHEARN CC(C)[C@H]1CCC2=C(Br)C(=O)C[C@@]21C ZINC000071786932 566916764 /nfs/dbraw/zinc/91/67/64/566916764.db2.gz DZUZJIHFPUJCSD-PRHODGIISA-N 0 0 257.171 3.681 50 30 CHEARN C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(C#N)cc1 ZINC000012906141 566927936 /nfs/dbraw/zinc/92/79/36/566927936.db2.gz USUOVOAYEKIYHZ-LLVKDONJSA-N 0 0 297.383 3.771 50 30 CHEARN N#Cc1cn(C(=O)c2cccc(Cl)c2)c2ccccc12 ZINC000049877158 566942718 /nfs/dbraw/zinc/94/27/18/566942718.db2.gz ZJLHCEYEEXMYJA-UHFFFAOYSA-N 0 0 280.714 3.855 50 30 CHEARN COc1ccc(Nc2c(C#N)cnc3c(F)cccc32)cc1 ZINC000064438810 566976770 /nfs/dbraw/zinc/97/67/70/566976770.db2.gz BKUFFJHMTQFHGY-UHFFFAOYSA-N 0 0 293.301 3.998 50 30 CHEARN C=CCOc1ccccc1C[NH2+]Cc1ccc(C)cc1 ZINC000006600498 566982760 /nfs/dbraw/zinc/98/27/60/566982760.db2.gz XPTHEQUNSSTRES-UHFFFAOYSA-N 0 0 267.372 3.850 50 30 CHEARN O=C(/C=C/c1ccccc1[N+](=O)[O-])c1c[nH]c2ccccc12 ZINC000036843922 567007665 /nfs/dbraw/zinc/00/76/65/567007665.db2.gz QSTAPGVWVVZXMN-MDZDMXLPSA-N 0 0 292.294 3.972 50 30 CHEARN N#Cc1ccc(C=NNc2ccc3ccccc3n2)cc1 ZINC000004560730 567019325 /nfs/dbraw/zinc/01/93/25/567019325.db2.gz IBPAQJUFMRBBKD-XDHOZWIPSA-N 0 0 272.311 3.552 50 30 CHEARN N#CCC[C@H](C#N)CN1CCC(=Cc2ccccc2)CC1 ZINC000089828177 567027667 /nfs/dbraw/zinc/02/76/67/567027667.db2.gz TYIDZHAZCVDAKI-GOSISDBHSA-N 0 0 279.387 3.609 50 30 CHEARN C[C@@H]1C[C@H](C)CN(c2cc(C#N)c(C#N)cc2Cl)C1 ZINC000017123043 567032568 /nfs/dbraw/zinc/03/25/68/567032568.db2.gz DMQYENWZWTWSMM-PHIMTYICSA-N 0 0 273.767 3.566 50 30 CHEARN O=C(C1=CC=CC1=C(O)c1ccccc1)c1ccccc1 ZINC000096515462 567041127 /nfs/dbraw/zinc/04/11/27/567041127.db2.gz RWBSARGBEDGWIH-INIZCTEOSA-N 0 0 274.319 3.865 50 30 CHEARN CCC(=O)Nc1ccc(N=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000252462434 567050978 /nfs/dbraw/zinc/05/09/78/567050978.db2.gz SFGFBGYTFNNOCJ-UHFFFAOYSA-N 0 0 297.314 3.694 50 30 CHEARN NC(=O)c1ccccc1N=Cc1cccc(Cl)c1Cl ZINC000252461074 567051175 /nfs/dbraw/zinc/05/11/75/567051175.db2.gz KIMFDSCHBSCYND-UHFFFAOYSA-N 0 0 293.153 3.843 50 30 CHEARN Cc1c(N=Cc2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000252461292 567051436 /nfs/dbraw/zinc/05/14/36/567051436.db2.gz LVXFYSYUVBWJDS-UHFFFAOYSA-N 0 0 265.272 3.526 50 30 CHEARN Cc1ccc(N=Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000252460905 567051778 /nfs/dbraw/zinc/05/17/78/567051778.db2.gz JBERAXUXGNJUHK-UHFFFAOYSA-N 0 0 258.252 3.793 50 30 CHEARN N#C[C@@H](C(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000000162469 567054780 /nfs/dbraw/zinc/05/47/80/567054780.db2.gz ROQZDYUDIBWRFI-NSHDSACASA-N 0 0 295.729 3.706 50 30 CHEARN Cc1cccc2c(N[C@H](C)c3cccc(C#N)c3)ncnc12 ZINC000170673576 567065949 /nfs/dbraw/zinc/06/59/49/567065949.db2.gz QJBRWZCDPYFFHI-CYBMUJFWSA-N 0 0 288.354 3.983 50 30 CHEARN CCC=CN=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000252629966 567069485 /nfs/dbraw/zinc/06/94/85/567069485.db2.gz URMFIPFOCJMAIQ-FPZJHBACSA-N 0 0 288.332 3.692 50 30 CHEARN Clc1ccc2c(c1)c1ccccc1n2C[C@H]1CO1 ZINC000003159003 567073973 /nfs/dbraw/zinc/07/39/73/567073973.db2.gz ASRSYYRYCCIKGO-NSHDSACASA-N 0 0 257.720 3.847 50 30 CHEARN Cc1cccnc1N=Cc1c(O)ccc2ccccc21 ZINC000253618432 567103117 /nfs/dbraw/zinc/10/31/17/567103117.db2.gz KVJQPVPRIHFWLW-UHFFFAOYSA-N 0 0 262.312 3.999 50 30 CHEARN N#Cc1cccc(NC(=O)CCCc2ccccc2)c1 ZINC000000458318 567103802 /nfs/dbraw/zinc/10/38/02/567103802.db2.gz XKDHHEZEDCYUTM-UHFFFAOYSA-N 0 0 264.328 3.520 50 30 CHEARN Cc1cc(C)cc(OCCC(=O)Nc2cccc(C#N)c2)c1 ZINC000013011019 567116120 /nfs/dbraw/zinc/11/61/20/567116120.db2.gz QJGKBCCVTQPVQY-UHFFFAOYSA-N 0 0 294.354 3.583 50 30 CHEARN CNc1ccc(Cl)c(C(=O)NCc2nc(C)cs2)c1 ZINC000328592638 567118366 /nfs/dbraw/zinc/11/83/66/567118366.db2.gz RGOQTGUJOVYWOC-UHFFFAOYSA-N 0 0 295.795 3.651 50 30 CHEARN CCC(=O)Nc1ccccc1C(=O)NCC[C@H]1CCCO1 ZINC000328594189 567119604 /nfs/dbraw/zinc/11/96/04/567119604.db2.gz XWNGVVWTYGTQHT-GFCCVEGCSA-N 0 0 290.363 3.558 50 30 CHEARN CC(C)c1ccc(-c2c3c(nc(N)c2C#N)CCC3)cc1 ZINC000019771578 567123556 /nfs/dbraw/zinc/12/35/56/567123556.db2.gz NKJVIFLLTFDBNV-UHFFFAOYSA-N 0 0 277.371 3.815 50 30 CHEARN C=C(C)COc1cccc(NCc2c(C)nn(C)c2C)c1 ZINC000095429017 567130635 /nfs/dbraw/zinc/13/06/35/567130635.db2.gz GLWCAXJSQHVDRC-UHFFFAOYSA-N 0 0 285.391 3.604 50 30 CHEARN C[C@H](OC(=O)c1ccc(Br)cc1)C(C)(C)C#N ZINC000095435521 567133352 /nfs/dbraw/zinc/13/33/52/567133352.db2.gz AKTVATBXQBYKAU-VIFPVBQESA-N 0 0 296.164 3.544 50 30 CHEARN Cc1sc(NC(=O)c2cc(F)ccc2F)c(C#N)c1C ZINC000002743636 567153241 /nfs/dbraw/zinc/15/32/41/567153241.db2.gz NSDATYKCFODZRQ-UHFFFAOYSA-N 0 0 292.310 3.767 50 30 CHEARN N#Cc1cccc(OCc2ccccc2Br)c1 ZINC000002875961 567153537 /nfs/dbraw/zinc/15/35/37/567153537.db2.gz RHJYGBNPBORRIN-UHFFFAOYSA-N 0 0 288.144 3.900 50 30 CHEARN COc1ccc([C@H](C)/N=C/c2ccccc2O)cc1OC ZINC000057411811 567155102 /nfs/dbraw/zinc/15/51/02/567155102.db2.gz KICWJLCCKPSPAG-HWQJWEFDSA-N 0 0 285.343 3.590 50 30 CHEARN COc1ccc(-c2nc(C)c(C)cc2C#N)c2cccnc12 ZINC000216150959 567156188 /nfs/dbraw/zinc/15/61/88/567156188.db2.gz HVDAOQICLMGOCB-UHFFFAOYSA-N 0 0 289.338 3.794 50 30 CHEARN CS/C(=N/c1ccccc1)NN=Cc1ccccc1 ZINC000003157992 567161995 /nfs/dbraw/zinc/16/19/95/567161995.db2.gz XNDGCGQHPKWRSQ-UHFFFAOYSA-N 0 0 269.373 3.661 50 30 CHEARN N#Cc1ccc(NCCCn2cnc3ccccc32)c(F)c1 ZINC000058405753 567178789 /nfs/dbraw/zinc/17/87/89/567178789.db2.gz RKOSFSLIULRSEF-UHFFFAOYSA-N 0 0 294.333 3.549 50 30 CHEARN Cc1ccc(CNc2nc(Cl)c(C#N)s2)cc1 ZINC000004107390 567187703 /nfs/dbraw/zinc/18/77/03/567187703.db2.gz QMRKMASNJZQATL-UHFFFAOYSA-N 0 0 263.753 3.589 50 30 CHEARN N#Cc1cc(N)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000041021567 567203357 /nfs/dbraw/zinc/20/33/57/567203357.db2.gz LLHKBWFNHKLJEI-UHFFFAOYSA-N 0 0 278.233 3.952 50 30 CHEARN CSc1ccc([C@@H](C)Nc2ccc(C#N)cn2)cc1 ZINC000042102804 567205285 /nfs/dbraw/zinc/20/52/85/567205285.db2.gz SMLQPKXAHIXLJF-LLVKDONJSA-N 0 0 269.373 3.848 50 30 CHEARN Cc1c(Cl)cccc1/N=C/c1ccc([N+](=O)[O-])o1 ZINC000000046000 567817036 /nfs/dbraw/zinc/81/70/36/567817036.db2.gz IABHZZJOOHSJTL-VGOFMYFVSA-N 0 0 264.668 3.900 50 30 CHEARN COc1ccc(NC(=S)Nc2ccc(F)cc2)cc1 ZINC000000143237 567819940 /nfs/dbraw/zinc/81/99/40/567819940.db2.gz RUNCTPYJYOCBIB-UHFFFAOYSA-N 0 0 276.336 3.864 50 30 CHEARN CC1(C)C[C@H]([C@@H](CC#N)Cc2ccccc2)CCO1 ZINC000000209715 567822135 /nfs/dbraw/zinc/82/21/35/567822135.db2.gz XIDXZWBPVXHTDH-JKSUJKDBSA-N 0 0 257.377 3.964 50 30 CHEARN CC1(C)OC(C)(C)/C(=C/c2ccc(Cl)cc2)C1=O ZINC000000382005 567827887 /nfs/dbraw/zinc/82/78/87/567827887.db2.gz OMDWSHFCAAJUGZ-FMIVXFBMSA-N 0 0 264.752 3.880 50 30 CHEARN CCn1c(C)cc(C=C2C(=O)c3ccccc3C2=O)c1C ZINC000000382329 567828079 /nfs/dbraw/zinc/82/80/79/567828079.db2.gz UMIPDSYINQNGJY-UHFFFAOYSA-N 0 0 279.339 3.587 50 30 CHEARN CC(Nc1ccc(C)c(C)c1)=C1C(=O)CC(C)(C)CC1=O ZINC000000440143 567830223 /nfs/dbraw/zinc/83/02/23/567830223.db2.gz CSMBIVSEVHUPSH-UHFFFAOYSA-N 0 0 285.387 3.948 50 30 CHEARN O=C(/C=C1\C(=O)Nc2ccc(Cl)cc21)c1cccs1 ZINC000000616107 567834345 /nfs/dbraw/zinc/83/43/45/567834345.db2.gz VCQSZBOQPDRFDB-YFHOEESVSA-N 0 0 289.743 3.620 50 30 CHEARN CCCC[C@@](C#N)(Cn1cncn1)c1ccc(Cl)cc1 ZINC000002041295 567844596 /nfs/dbraw/zinc/84/45/96/567844596.db2.gz HZJKXKUJVSEEFU-OAHLLOKOSA-N 0 0 288.782 3.583 50 30 in-vitro CHEARN Cc1[nH]c(C(=O)Cc2ccccc2)c(C)c1CCC#N ZINC000002519639 567847519 /nfs/dbraw/zinc/84/75/19/567847519.db2.gz OOIDIGHSORNCBV-UHFFFAOYSA-N 0 0 266.344 3.513 50 30 CHEARN COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1Cl ZINC000002561749 567847973 /nfs/dbraw/zinc/84/79/73/567847973.db2.gz RRJYTVIIWVEXRH-UHFFFAOYSA-N 0 0 298.725 3.811 50 30 CHEARN CCCCCCCNC(=O)/C=C/c1ccccc1OC ZINC000002552039 567848174 /nfs/dbraw/zinc/84/81/74/567848174.db2.gz DOZJLPNZMHAMEC-OUKQBFOZSA-N 0 0 275.392 3.795 50 30 CHEARN N#C[C@H]1c2ccccc2C=CN1C(=O)/C=C\c1ccccc1 ZINC000034911700 567852554 /nfs/dbraw/zinc/85/25/54/567852554.db2.gz HMBJFHBGJSBPCS-LENZSSGSSA-N 0 0 286.334 3.778 50 30 CHEARN O=C1c2ccccc2CSC[C@]12O[C@@H]2c1cccs1 ZINC000004085363 567854949 /nfs/dbraw/zinc/85/49/49/567854949.db2.gz KPNUVJYTDMMWSA-CABCVRRESA-N 0 0 288.393 3.688 50 30 CHEARN COc1ccc(CC=CN=Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004528851 567857586 /nfs/dbraw/zinc/85/75/86/567857586.db2.gz CZVYLXGOXRNJPZ-FJRPBXJISA-N 0 0 297.314 3.715 50 30 CHEARN CCOc1ccccc1/C=N/c1ccc([N+](=O)[O-])cc1 ZINC000004589905 567858448 /nfs/dbraw/zinc/85/84/48/567858448.db2.gz IMJBNYMORWUPGG-LFIBNONCSA-N 0 0 270.288 3.744 50 30 CHEARN CCN(C[C@@H](C)C#N)C(=O)c1cc2ccccc2s1 ZINC000042296668 567859722 /nfs/dbraw/zinc/85/97/22/567859722.db2.gz OLKOSUVLIHVOQE-NSHDSACASA-N 0 0 272.373 3.523 50 30 CHEARN Cc1cccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)n1 ZINC000097378765 567860374 /nfs/dbraw/zinc/86/03/74/567860374.db2.gz XMKKRYJCAHQFMF-HNNXBMFYSA-N 0 0 294.358 3.557 50 30 CHEARN CN1c2ccccc2SC2=C1CC(C)(C)CC2=O ZINC000012384426 567862902 /nfs/dbraw/zinc/86/29/02/567862902.db2.gz IREANUFLUDTXSW-UHFFFAOYSA-N 0 0 259.374 3.829 50 30 CHEARN C[C@H]1CCC/C(=N\NC(=S)Nc2ccccc2)C1 ZINC000012404026 567863105 /nfs/dbraw/zinc/86/31/05/567863105.db2.gz RQRCEVNKLAYFPF-QRKKIEFCSA-N 0 0 261.394 3.539 50 30 aggregator CHEARN C/C(=N/NC(=S)Nc1cccc(C)c1)c1ccccc1 ZINC000012403845 567863180 /nfs/dbraw/zinc/86/31/80/567863180.db2.gz MCJIXNUKGJCWRD-AQTBWJFISA-N 0 0 283.400 3.706 50 30 CHEARN N#Cc1nccnc1-c1ccccc1OCc1ccccc1 ZINC000032578094 567863467 /nfs/dbraw/zinc/86/34/67/567863467.db2.gz HJIYKLBQAHJXDM-UHFFFAOYSA-N 0 0 287.322 3.594 50 30 CHEARN N#Cc1c2c(c(-c3ccccc3)nc1Cl)CCC2 ZINC000004365864 567863837 /nfs/dbraw/zinc/86/38/37/567863837.db2.gz WPDVTWJIMWADKI-UHFFFAOYSA-N 0 0 254.720 3.762 50 30 CHEARN C=CCSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000004358774 567863870 /nfs/dbraw/zinc/86/38/70/567863870.db2.gz QODHZRJYUMSOGY-UHFFFAOYSA-N 0 0 294.383 3.607 50 30 CHEARN COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1O ZINC000013305449 567865685 /nfs/dbraw/zinc/86/56/85/567865685.db2.gz FKOQCLIJNODUAK-DHDCSXOGSA-N 0 0 284.336 3.730 50 30 biogenic CHEARN C=CCn1c2ccccc2nc1SCC(=O)c1ccc[nH]1 ZINC000004485636 567868201 /nfs/dbraw/zinc/86/82/01/567868201.db2.gz LMNGMRRVTOMWHP-UHFFFAOYSA-N 0 0 297.383 3.525 50 30 CHEARN N#Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1Cl ZINC000004524411 567869017 /nfs/dbraw/zinc/86/90/17/567869017.db2.gz OZVHTTUFINQLPB-RMKNXTFCSA-N 0 0 282.730 3.864 50 30 CHEARN CC(Nc1cccc(F)c1)=C1C(=O)c2ccccc2C1=O ZINC000017008479 567874536 /nfs/dbraw/zinc/87/45/36/567874536.db2.gz SVLYAOLKKCPBOM-UHFFFAOYSA-N 0 0 281.286 3.591 50 30 CHEARN CC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccccc1 ZINC000019848019 567879345 /nfs/dbraw/zinc/87/93/45/567879345.db2.gz DJZZJABZXHWXKR-YJBOKZPZSA-N 0 0 280.323 3.625 50 30 CHEARN Fc1ccc(C/N=C/c2ccc3[nH]ccc3c2)cc1 ZINC000019894222 567879466 /nfs/dbraw/zinc/87/94/66/567879466.db2.gz WQBTYXJXHLEDQX-WOJGMQOQSA-N 0 0 252.292 3.926 50 30 CHEARN CC1(C#N)CN(C(c2ccccc2)c2ccccc2)C1 ZINC000034188955 567887097 /nfs/dbraw/zinc/88/70/97/567887097.db2.gz NSWNPSGUBRKOGU-UHFFFAOYSA-N 0 0 262.356 3.621 50 30 CHEARN CCCCc1nc(Cl)c(C#N)c2c1COC(C)(C)C2 ZINC000004610659 567893767 /nfs/dbraw/zinc/89/37/67/567893767.db2.gz NFTMMHCVWRAGPT-UHFFFAOYSA-N 0 0 278.783 3.801 50 30 CHEARN CCCCCCCC(=O)Nc1cc(N)ccc1OC ZINC000059082158 567896452 /nfs/dbraw/zinc/89/64/52/567896452.db2.gz DIUOBIKDEAEQSU-UHFFFAOYSA-N 0 0 264.369 3.576 50 30 CHEARN N#Cc1ccccc1NC(=O)c1scc2c1CCCC2 ZINC000000054367 567906140 /nfs/dbraw/zinc/90/61/40/567906140.db2.gz KOZFLXHEGCWXDW-UHFFFAOYSA-N 0 0 282.368 3.751 50 30 CHEARN O=C1/C(=C\c2c(Cl)cccc2Cl)N2CCC1CC2 ZINC000033294228 567906960 /nfs/dbraw/zinc/90/69/60/567906960.db2.gz MKZJRJJYFDQYPY-MDWZMJQESA-N 0 0 282.170 3.629 50 30 CHEARN C=CCc1cccc(/C=N/c2nc3ccccc3[nH]2)c1O ZINC000011613956 567910668 /nfs/dbraw/zinc/91/06/68/567910668.db2.gz SZRPPDDTKYCYAG-WOJGMQOQSA-N 0 0 277.327 3.748 50 30 CHEARN O=C1C=C(NCc2cccs2)C[C@H](c2ccccc2)C1 ZINC000100566857 567913517 /nfs/dbraw/zinc/91/35/17/567913517.db2.gz ZINNQTHBLSXAMM-AWEZNQCLSA-N 0 0 283.396 3.868 50 30 CHEARN O=C1C=C(NCc2ccc(F)cc2)C[C@@H](c2ccccc2)C1 ZINC000100864009 567913930 /nfs/dbraw/zinc/91/39/30/567913930.db2.gz HRQXVHYNFMVEKD-MRXNPFEDSA-N 0 0 295.357 3.946 50 30 CHEARN CCc1ccc([C@@H]2CCCCN2CC2(C#N)CC2)o1 ZINC000095452711 567914997 /nfs/dbraw/zinc/91/49/97/567914997.db2.gz WXAOWGFVKOGBFP-AWEZNQCLSA-N 0 0 258.365 3.673 50 30 CHEARN Cc1cc(C(F)(F)F)c(/C(=N\O)c2ccccc2)[nH]1 ZINC000100110610 567915666 /nfs/dbraw/zinc/91/56/66/567915666.db2.gz OZQOQSOFHWRZRI-WQRHYEAKSA-N 0 0 268.238 3.569 50 30 CHEARN Cc1[nH]c(=O)c(C(=O)/C=C\c2cccs2)c2c1CCCC2 ZINC000033394542 567916526 /nfs/dbraw/zinc/91/65/26/567916526.db2.gz QNCCWKHIPGYVMS-HJWRWDBZSA-N 0 0 299.395 3.520 50 30 CHEARN Oc1ccccc1/N=C\c1ccc(Br)cc1 ZINC000100183517 567923152 /nfs/dbraw/zinc/92/31/52/567923152.db2.gz XHIIEEPPCLKWQN-DHDCSXOGSA-N 0 0 276.133 3.905 50 30 CHEARN N#CCc1cccnc1Sc1ccc(Cl)cc1 ZINC000000346875 567926979 /nfs/dbraw/zinc/92/69/79/567926979.db2.gz WADUJQVSBLDDEE-UHFFFAOYSA-N 0 0 260.749 3.952 50 30 CHEARN CC(C)=N/N=C(\Cc1nc2ccccc2[nH]1)c1ccccc1 ZINC000000338824 567927044 /nfs/dbraw/zinc/92/70/44/567927044.db2.gz UPEBYKBPMDXIMW-OQKWZONESA-N 0 0 290.370 3.991 50 30 CHEARN C=C[C@@]1(O)c2ccccc2CSc2ccccc21 ZINC000000346507 567927079 /nfs/dbraw/zinc/92/70/79/567927079.db2.gz POXMAXZGMOODAB-MRXNPFEDSA-N 0 0 254.354 3.714 50 30 CHEARN O=C1c2ccccc2NC1=CNc1ccccc1Cl ZINC000100392075 567927258 /nfs/dbraw/zinc/92/72/58/567927258.db2.gz UMMXBADPSVQLDD-ZROIWOOFSA-N 0 0 270.719 3.902 50 30 CHEARN C=C(C)CSc1nnc(NCc2ccccc2)s1 ZINC000003490850 567929994 /nfs/dbraw/zinc/92/99/94/567929994.db2.gz NHRYBLSQBBSKDR-UHFFFAOYSA-N 0 0 277.418 3.818 50 30 CHEARN Cc1ccc(C)c(NC(=O)[C@@H](C#N)Cc2cccs2)c1 ZINC000000419682 567930312 /nfs/dbraw/zinc/93/03/12/567930312.db2.gz SDKXLAZOZWSTEG-CYBMUJFWSA-N 0 0 284.384 3.686 50 30 CHEARN CCCCN=C(Nc1ccccc1)c1cccnc1 ZINC000050914226 567930566 /nfs/dbraw/zinc/93/05/66/567930566.db2.gz HPFSZPRWEHBZCY-UHFFFAOYSA-N 0 0 253.349 3.550 50 30 CHEARN COC(=O)c1sc(C)cc1OCCCC(C)(C)C#N ZINC000095429760 567931563 /nfs/dbraw/zinc/93/15/63/567931563.db2.gz ZABMOSSXDPALLL-UHFFFAOYSA-N 0 0 281.377 3.552 50 30 CHEARN O=C1CCCC2=C1[C@H](c1ccco1)Nc1ccccc1N2 ZINC000000106553 567935304 /nfs/dbraw/zinc/93/53/04/567935304.db2.gz PUVIFCAWBISIJN-KRWDZBQOSA-N 0 0 280.327 3.865 50 30 CHEARN N#Cc1ccc(Sc2nc3ccccc3o2)cc1C#N ZINC000000482198 567939250 /nfs/dbraw/zinc/93/92/50/567939250.db2.gz BGHNRKZDIVPDEJ-UHFFFAOYSA-N 0 0 277.308 3.722 50 30 CHEARN C=C(C)[C@@H]1CC(NC(=O)/C=C/c2ccccc2)=C(C(C)=O)C1 ZINC000000517720 567941918 /nfs/dbraw/zinc/94/19/18/567941918.db2.gz VNRCAYMQDJDRNH-SCOAYWHSSA-N 0 0 295.382 3.645 50 30 biogenic CHEARN N#CCc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1 ZINC000016495924 567944277 /nfs/dbraw/zinc/94/42/77/567944277.db2.gz RXFQWOLWZMDTGQ-UHFFFAOYSA-N 0 0 288.709 3.797 50 30 CHEARN CCOc1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1 ZINC000004539036 567944528 /nfs/dbraw/zinc/94/45/28/567944528.db2.gz CDHWNXIYADIGFA-LFYBBSHMSA-N 0 0 268.312 3.687 50 30 CHEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCC[C@@H]3C)cc1 ZINC000019095741 567945240 /nfs/dbraw/zinc/94/52/40/567945240.db2.gz DNDOHRFCVODJQJ-NSHDSACASA-N 0 0 293.370 3.651 50 30 CHEARN CCc1cccc(NC=CC(=O)c2ccc3c(c2)OCO3)c1 ZINC000044842363 567946122 /nfs/dbraw/zinc/94/61/22/567946122.db2.gz UMMGJFGDWRHQGF-CMDGGOBGSA-N 0 0 295.338 3.786 50 30 CHEARN C=CCOc1cccc(NC(=O)c2ccc(Cl)nc2)c1 ZINC000048927075 567946638 /nfs/dbraw/zinc/94/66/38/567946638.db2.gz CTXBPKQXDYNYSC-UHFFFAOYSA-N 0 0 288.734 3.552 50 30 CHEARN O=C(/C=C/c1ccc(-n2ccnc2)c(F)c1)c1ccccc1 ZINC000024982480 567956369 /nfs/dbraw/zinc/95/63/69/567956369.db2.gz GUUVAYSBUUCIRB-VQHVLOKHSA-N 0 0 292.313 3.908 50 30 CHEARN Cc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000032860098 570225000 /nfs/dbraw/zinc/22/50/00/570225000.db2.gz IEQCBLJJIPKHMO-LBPRGKRZSA-N 0 0 281.315 3.948 50 30 CHEARN CC(C)(C)OC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000072313980 570236778 /nfs/dbraw/zinc/23/67/78/570236778.db2.gz PTKOINNZDGOBPI-UHFFFAOYSA-N 0 0 299.292 3.582 50 30 CHEARN Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)C(C#N)C#N ZINC000091690027 570255437 /nfs/dbraw/zinc/25/54/37/570255437.db2.gz FSMNYFMRBCVECW-SFHVURJKSA-N 0 0 286.338 3.667 50 30 CHEARN C[C@@H]1C[C@@H](C)CN(c2oc(Cc3ccccc3)nc2C#N)C1 ZINC000000352169 570264943 /nfs/dbraw/zinc/26/49/43/570264943.db2.gz FPYWORUYQDIISA-ZIAGYGMSSA-N 0 0 295.386 3.619 50 30 CHEARN CC[C@H]1CC[C@H](C(=O)Oc2ccc(C#N)c(F)c2)CC1 ZINC000261300783 570271628 /nfs/dbraw/zinc/27/16/28/570271628.db2.gz XKPXEPFCVKWEML-HAQNSBGRSA-N 0 0 275.323 3.819 50 30 CHEARN Cc1c(C#N)c(Sc2ccccn2)nc2ccccc12 ZINC000000127906 570277433 /nfs/dbraw/zinc/27/74/33/570277433.db2.gz HGMRSGMWPASZCH-UHFFFAOYSA-N 0 0 277.352 3.961 50 30 CHEARN C=CCc1ccccc1OCCOc1ccccc1OC ZINC000002983747 570314963 /nfs/dbraw/zinc/31/49/63/570314963.db2.gz NAXZYFUTOJDWNI-UHFFFAOYSA-N 0 0 284.355 3.882 50 30 CHEARN N#Cc1ccccc1COC(=O)c1ccc(Cl)cc1F ZINC000018808642 570322251 /nfs/dbraw/zinc/32/22/51/570322251.db2.gz UHSFVDOAVLYIMD-UHFFFAOYSA-N 0 0 289.693 3.708 50 30 CHEARN C=C(Br)Cc1sccc1Br ZINC000043209541 570331139 /nfs/dbraw/zinc/33/11/39/570331139.db2.gz FRFZDWYEGRQLQZ-UHFFFAOYSA-N 0 0 282.000 3.962 50 30 CHEARN C=C(Cl)Cc1ccc(O[C@@H]2CCCCO2)cc1 ZINC000043208753 570331131 /nfs/dbraw/zinc/33/11/31/570331131.db2.gz OKTQRHJMLZYCJX-CQSZACIVSA-N 0 0 252.741 3.887 50 30 CHEARN N#Cc1ccsc1C(=O)N(CC1CC1)c1ccccc1 ZINC000084243063 570336722 /nfs/dbraw/zinc/33/67/22/570336722.db2.gz AITZYWKQSCDLDK-UHFFFAOYSA-N 0 0 282.368 3.677 50 30 CHEARN C=C(C)C(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2 ZINC000003999088 570337772 /nfs/dbraw/zinc/33/77/72/570337772.db2.gz IPFPWXSNYMVBKQ-UHFFFAOYSA-N 0 0 257.333 3.776 50 30 biogenic CHEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=NN ZINC000004199033 570348822 /nfs/dbraw/zinc/34/88/22/570348822.db2.gz GWWXKVVUGDVQGO-CBZIJGRNSA-N 0 0 284.403 3.563 50 30 CHEARN C=CCOc1ccc(C(=O)N(C)CC2CCCC2)cc1 ZINC000064089260 570353369 /nfs/dbraw/zinc/35/33/69/570353369.db2.gz AEIXUEBRETVENL-UHFFFAOYSA-N 0 0 273.376 3.514 50 30 CHEARN C=C(C)Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000016619681 570357683 /nfs/dbraw/zinc/35/76/83/570357683.db2.gz UZJIVKUMIJKNQQ-UHFFFAOYSA-N 0 0 282.368 3.701 50 30 CHEARN C=CCCCN(C)C(=O)Cc1nc(-c2ccccc2)oc1C ZINC000076484446 570369647 /nfs/dbraw/zinc/36/96/47/570369647.db2.gz ULEKBBGSLKBLEY-UHFFFAOYSA-N 0 0 298.386 3.617 50 30 CHEARN Cc1cccc2ncnc(NCc3ccc(C#N)cc3F)c12 ZINC000170652381 570375719 /nfs/dbraw/zinc/37/57/19/570375719.db2.gz HTIMPUNWKNXWML-UHFFFAOYSA-N 0 0 292.317 3.561 50 30 CHEARN Cc1nc2cc(N=Cc3ccc(N(C)C)cc3)ccc2n1C ZINC000252612486 570376167 /nfs/dbraw/zinc/37/61/67/570376167.db2.gz IUFKTBAIOLFDPN-UHFFFAOYSA-N 0 0 292.386 3.698 50 30 CHEARN N#Cc1ccc(Sc2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000000209536 570387178 /nfs/dbraw/zinc/38/71/78/570387178.db2.gz AAMBIVWDDAAYHM-UHFFFAOYSA-N 0 0 297.295 3.759 50 30 CHEARN N#Cc1cccc(NC(=O)Nc2ccccc2Cl)c1 ZINC000000398531 570388225 /nfs/dbraw/zinc/38/82/25/570388225.db2.gz LSYBLGDEAQUBOH-UHFFFAOYSA-N 0 0 271.707 3.856 50 30 CHEARN CCO[C@H](C)c1ccc(-c2ccc(C#N)nc2)cc1 ZINC000067726524 570393980 /nfs/dbraw/zinc/39/39/80/570393980.db2.gz BRBZLNRPALUSHN-GFCCVEGCSA-N 0 0 252.317 3.718 50 30 CHEARN CC[C@H](NC(=O)c1cccc(C#N)c1)c1nc(C)c(C)s1 ZINC000067769759 570394211 /nfs/dbraw/zinc/39/42/11/570394211.db2.gz OWSNWRYFDXCVEF-AWEZNQCLSA-N 0 0 299.399 3.513 50 30 CHEARN COc1ccc(-c2cc(C(C)(C)C)nc(N)c2C#N)cc1 ZINC000016322989 570405241 /nfs/dbraw/zinc/40/52/41/570405241.db2.gz WSUBPIADHWVYGZ-UHFFFAOYSA-N 0 0 281.359 3.509 50 30 CHEARN C=C[C@@H](C(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000952994093 613441003 /nfs/dbraw/zinc/44/10/03/613441003.db2.gz PJJUPUMXKNIWQS-UONOGXRCSA-N 0 0 297.320 3.757 50 30 CHEARN CC(C)(C)c1nc(C#N)c(Sc2ccccc2)o1 ZINC000027664025 1125594172 /nfs/dbraw/zinc/59/41/72/1125594172.db2.gz PFKUGLOZWXDNBZ-UHFFFAOYSA-N 0 0 258.346 3.995 50 30 CHEARN O=C(/C=C\c1cccc(O)c1)c1c(Cl)nc2ccccn21 ZINC000255307825 1127285997 /nfs/dbraw/zinc/28/59/97/1127285997.db2.gz FOVGXFIXHNDGQD-FPLPWBNLSA-N 0 0 298.729 3.589 50 30 CHEARN CCCOc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1 ZINC000013007446 1127948840 /nfs/dbraw/zinc/94/88/40/1127948840.db2.gz CUFHUIVEPYRBIY-YVLHZVERSA-N 0 0 296.322 3.797 50 30 CHEARN Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(Cl)cc1 ZINC000040114054 1128513554 /nfs/dbraw/zinc/51/35/54/1128513554.db2.gz YQAPAWFBDBTLFI-BQYQJAHWSA-N 0 0 260.724 3.576 50 30 CHEARN CCc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])o2)cc1 ZINC000033409649 1128521817 /nfs/dbraw/zinc/52/18/17/1128521817.db2.gz XHELVCVSNPBDJB-CLFYSBASSA-N 0 0 271.272 3.646 50 30 CHEARN COc1ccc2c(c1)CC[C@H]1[C@H]3CCC(=NN)[C@@]3(C)CC[C@H]21 ZINC000254912254 1117878470 /nfs/dbraw/zinc/87/84/70/1117878470.db2.gz SOXXAISJFSZAOS-MTNOOBJLSA-N 0 0 298.430 3.866 50 30 CHEARN Cc1ccsc1CN(C)C(=O)/C=C\c1ccccc1C#N ZINC000073152280 1117924435 /nfs/dbraw/zinc/92/44/35/1117924435.db2.gz FGJRIELZBZQFSL-FPLPWBNLSA-N 0 0 296.395 3.600 50 30 CHEARN C=C(C)CN(CC)C(=O)c1cc(Cl)c2ccccc2n1 ZINC000109595578 1120789271 /nfs/dbraw/zinc/78/92/71/1120789271.db2.gz LFTCTQGPEQQBJA-UHFFFAOYSA-N 0 0 288.778 3.926 50 30 CHEARN COc1ccccc1/C=C/C(=O)c1ccc(C)cc1OC ZINC000024717880 1121003834 /nfs/dbraw/zinc/00/38/34/1121003834.db2.gz BDCTVVSZQLITSJ-PKNBQFBNSA-N 0 0 282.339 3.908 50 30 CHEARN C=C(C)COc1ccc(-c2nc(-c3ccccn3)no2)cc1 ZINC000012379179 1123494988 /nfs/dbraw/zinc/49/49/88/1123494988.db2.gz UOPIRCJNHWTDIN-UHFFFAOYSA-N 0 0 293.326 3.754 50 30 CHEARN C[Si](C)(C)C#Cc1ccccc1Br ZINC000169744011 1125277456 /nfs/dbraw/zinc/27/74/56/1125277456.db2.gz FABNGXSCLHXUOH-UHFFFAOYSA-N 0 0 253.215 3.678 50 30 CHEARN CCOC(=O)c1sc2sc(C#N)c(C)c2c1C ZINC000000125551 1125421278 /nfs/dbraw/zinc/42/12/78/1125421278.db2.gz AVADGSSQORDQMY-UHFFFAOYSA-N 0 0 265.359 3.628 50 30 CHEARN Cc1cc(/C=C\C(=O)c2ccc(N(C)C)cc2)cc(C)c1O ZINC000096765843 1129550236 /nfs/dbraw/zinc/55/02/36/1129550236.db2.gz ABOKXFNBNQXGOA-YHYXMXQVSA-N 0 0 295.382 3.971 50 30 CHEARN Cn1nccc1/C=C\C(=O)c1ccc(C(C)(C)C)cc1 ZINC000097015596 1129582656 /nfs/dbraw/zinc/58/26/56/1129582656.db2.gz XCSUEXFVKJWGTG-KTKRTIGZSA-N 0 0 268.360 3.614 50 30 CHEARN CC(C)c1ccc(N=Cc2cccc(O)c2O)cc1 ZINC000254302247 1129683107 /nfs/dbraw/zinc/68/31/07/1129683107.db2.gz FIVFIKJDKMCSFD-UHFFFAOYSA-N 0 0 255.317 3.972 50 30 CHEARN Cc1cccc(C)c1NC(=S)NN=C1C[C@H]2CC=C[C@H]12 ZINC000254309142 1129683996 /nfs/dbraw/zinc/68/39/96/1129683996.db2.gz FCGGAAUHJYVYHQ-OLZOCXBDSA-N 0 0 285.416 3.542 50 30 CHEARN Cc1ccc(N=Cc2ccc[nH]2)c(Br)c1 ZINC000254400986 1129692575 /nfs/dbraw/zinc/69/25/75/1129692575.db2.gz SNOMMVCEFYUTIQ-UHFFFAOYSA-N 0 0 263.138 3.836 50 30 CHEARN C[C@@H]1CCC[C@@H](C)N1N=Cc1c(F)cccc1F ZINC000254747061 1129708243 /nfs/dbraw/zinc/70/82/43/1129708243.db2.gz QTOQJADUWOLWFL-GHMZBOCLSA-N 0 0 252.308 3.562 50 30 CHEARN N#Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000002632368 230367447 /nfs/dbraw/zinc/36/74/47/230367447.db2.gz GMYBVRNHUDLCBL-UHFFFAOYSA-N 0 0 272.307 3.964 50 30 CHEARN CN(C)/C=N/c1nc(-c2ccc(Cl)cc2)cs1 ZINC000003134287 230367611 /nfs/dbraw/zinc/36/76/11/230367611.db2.gz WKWSJMZZPQSQPD-RIYZIHGNSA-N 0 0 265.769 3.685 50 30 CHEARN O=C(/C=C\c1nc2ccccc2[nH]1)c1cccc(F)c1 ZINC000096054876 185076316 /nfs/dbraw/zinc/07/63/16/185076316.db2.gz YYFLWTNETNTEHS-HJWRWDBZSA-N 0 0 266.275 3.598 50 30 CHEARN Cc1cn2c(/C=C\C(=O)c3cccc(O)c3)c(C)nc2s1 ZINC000096930377 185132191 /nfs/dbraw/zinc/13/21/91/185132191.db2.gz KPPXEVVZSWAYLZ-SREVYHEPSA-N 0 0 298.367 3.614 50 30 CHEARN Cc1cn2c(/C=C3/Cc4ccccc4C3=O)c(C)nc2s1 ZINC000096930328 185132228 /nfs/dbraw/zinc/13/22/28/185132228.db2.gz OLWANMDTQWZCRF-JYRVWZFOSA-N 0 0 294.379 3.835 50 30 CHEARN CN(CC1CCCCC1)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000097004879 185151053 /nfs/dbraw/zinc/15/10/53/185151053.db2.gz CZCKGFRNOHHUQX-QXMHVHEDSA-N 0 0 282.387 3.610 50 30 CHEARN CN(C)c1ccc(NC=CC(=O)c2ccccc2)cc1 ZINC000100450966 529783248 /nfs/dbraw/zinc/78/32/48/529783248.db2.gz NZADGJKUXBUGCH-OUKQBFOZSA-N 0 0 266.344 3.561 50 30 aggregator CHEARN CC[C@@H](O)c1ccc(OCCCC(C)(C)C#N)cc1 ZINC000084734129 178922706 /nfs/dbraw/zinc/92/27/06/178922706.db2.gz GLVGUSCMRFDVDH-OAHLLOKOSA-N 0 0 261.365 3.839 50 30 CHEARN O=C(C=CNc1ccccc1)C=CNc1ccccc1 ZINC000100742279 185723248 /nfs/dbraw/zinc/72/32/48/185723248.db2.gz XKEXDPOWWINMJQ-PHEQNACWSA-N 0 0 264.328 3.807 50 30 CHEARN CC(C)CCOc1cc(Br)ccc1C#N ZINC000123448758 187092785 /nfs/dbraw/zinc/09/27/85/187092785.db2.gz STTLAAZCSHAIRJ-UHFFFAOYSA-N 0 0 268.154 3.746 50 30 CHEARN N#Cc1c(/N=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 ZINC000000058427 169521532 /nfs/dbraw/zinc/52/15/32/169521532.db2.gz QPNRNNJVFCYBMC-RQZCQDPDSA-N 0 0 297.339 3.767 50 30 CHEARN COc1cc(/C=N/c2ccc(C)cc2)ccc1OC(C)=O ZINC000000062351 169522670 /nfs/dbraw/zinc/52/26/70/169522670.db2.gz IVUXUCHVGICNLP-WOJGMQOQSA-N 0 0 283.327 3.680 50 30 CHEARN N#Cc1ccc(/C=C2/CCc3ccccc3C2=O)cc1 ZINC000000103259 169537101 /nfs/dbraw/zinc/53/71/01/169537101.db2.gz MENDGUCJODVXAP-WJDWOHSUSA-N 0 0 259.308 3.771 50 30 CHEARN Cc1cccc(NC(=O)O/N=C/c2ccc3c(c2)CCO3)c1 ZINC000000168440 169561248 /nfs/dbraw/zinc/56/12/48/169561248.db2.gz CHDSVFCNCVEXIT-WOJGMQOQSA-N 0 0 296.326 3.513 50 30 CHEARN CCc1ccc(-c2nn(-c3ccccc3)cc2/C=N/O)cc1 ZINC000000176733 169564790 /nfs/dbraw/zinc/56/47/90/169564790.db2.gz XLGFNGMPXRMQPB-XDHOZWIPSA-N 0 0 291.354 3.910 50 30 CHEARN CCOc1ccc(/C=N/c2cc(Cl)ccc2O)c(O)c1 ZINC000000226946 169580163 /nfs/dbraw/zinc/58/01/63/169580163.db2.gz AWVWENDHOHMHBL-RQZCQDPDSA-N 0 0 291.734 3.901 50 30 CHEARN CSc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000000378288 169623594 /nfs/dbraw/zinc/62/35/94/169623594.db2.gz PAWURGIJQQCPSY-UHFFFAOYSA-N 0 0 280.348 3.871 50 30 CHEARN Nc1c(Cl)cc(/N=C/c2ccccn2)cc1Cl ZINC000000439870 169640988 /nfs/dbraw/zinc/64/09/88/169640988.db2.gz BNBYWHRQAFKBKQ-REZTVBANSA-N 0 0 266.131 3.721 50 30 CHEARN Cc1ccccc1-c1nc(C#N)c(N2CCCCCC2)o1 ZINC000000468517 169648851 /nfs/dbraw/zinc/64/88/51/169648851.db2.gz NDKBSVBTYQKEPC-UHFFFAOYSA-N 0 0 281.359 3.902 50 30 CHEARN N#Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000002648913 184528215 /nfs/dbraw/zinc/52/82/15/184528215.db2.gz BOSGNVYBIRVSNW-UHFFFAOYSA-N 0 0 290.244 3.829 50 30 CHEARN C=CCn1c2ccccc2n2cc(C(C)(C)C)nc21 ZINC000000499546 169657336 /nfs/dbraw/zinc/65/73/36/169657336.db2.gz OGXSTIXLQQAFJW-UHFFFAOYSA-N 0 0 253.349 3.773 50 30 CHEARN CCOc1ccc(/N=C/c2cc(OC)ccc2O)cc1 ZINC000000500540 169657405 /nfs/dbraw/zinc/65/74/05/169657405.db2.gz MXKKDIYCCGBIKL-GZTJUZNOSA-N 0 0 271.316 3.550 50 30 CHEARN COc1ccc(C(=O)/C=C\c2ccc(OC)cc2OC)cc1 ZINC000031319115 256810446 /nfs/dbraw/zinc/81/04/46/256810446.db2.gz QASJJCFLWLUQLE-XFFZJAGNSA-N 0 0 298.338 3.609 50 30 CHEARN C=C(Cl)COc1ccc2c(CCC)cc(=O)oc2c1 ZINC000000858458 169681233 /nfs/dbraw/zinc/68/12/33/169681233.db2.gz CQCJLXAMNSPNPW-UHFFFAOYSA-N 0 0 278.735 3.877 50 30 CHEARN N#Cc1ccc(Oc2ccc(Br)cc2)cc1C#N ZINC000001266797 169693388 /nfs/dbraw/zinc/69/33/88/169693388.db2.gz ZHWODKAGCZSVQP-UHFFFAOYSA-N 0 0 299.127 3.985 50 30 CHEARN Cn1cccc1[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl ZINC000001385464 169698164 /nfs/dbraw/zinc/69/81/64/169698164.db2.gz JTNPPBPABKEVAW-VIFPVBQESA-N 0 0 299.683 3.748 50 30 CHEARN C=CCSCC(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000222237963 130789349 /nfs/dbraw/zinc/78/93/49/130789349.db2.gz SXDLXNCQHGQFLO-SNGWPZLWSA-N 0 0 287.428 3.610 50 30 CHEARN N#CCCN(Cc1ccccc1)C(=S)Nc1ccccc1 ZINC000002313442 169785290 /nfs/dbraw/zinc/78/52/90/169785290.db2.gz OPIVGFAECGWYPU-UHFFFAOYSA-N 0 0 295.411 3.799 50 30 CHEARN O=C(C=CNc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000002871042 169839420 /nfs/dbraw/zinc/83/94/20/169839420.db2.gz RFKAPZRAJMGVBU-SNAWJCMRSA-N 0 0 283.171 3.762 50 30 CHEARN CCC[C@@](C)(O)C#C[C@](C)(O)c1ccc2ccccc2c1 ZINC000003154477 169860998 /nfs/dbraw/zinc/86/09/98/169860998.db2.gz DXMABHSRXYIDRB-MOPGFXCFSA-N 0 0 282.383 3.602 50 30 CHEARN O=C(C=CNc1cccc2ccccc21)C(F)(F)F ZINC000003194670 169867150 /nfs/dbraw/zinc/86/71/50/169867150.db2.gz UUKWIPJODJANNC-CMDGGOBGSA-N 0 0 265.234 3.897 50 30 CHEARN CC(C)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000003383484 169883917 /nfs/dbraw/zinc/88/39/17/169883917.db2.gz SLBKLRWESWVHMI-UHFFFAOYSA-N 0 0 290.417 3.522 50 30 CHEARN Clc1ccc(/C=N/Cc2ccc3c(c2)OCO3)cc1 ZINC000003418833 169886528 /nfs/dbraw/zinc/88/65/28/169886528.db2.gz SMYPKFPKKBUWFX-CAOOACKPSA-N 0 0 273.719 3.688 50 30 CHEARN Cc1cccc2sc(NC(=O)c3cccc(C#N)c3)nc21 ZINC000003524359 169894248 /nfs/dbraw/zinc/89/42/48/169894248.db2.gz OZECQVSRWJWVKH-UHFFFAOYSA-N 0 0 293.351 3.729 50 30 CHEARN N#Cc1cccc(NC(=O)/C=C/c2cccc(Cl)c2)c1 ZINC000003603854 169900968 /nfs/dbraw/zinc/90/09/68/169900968.db2.gz HHMRLGCUKQERJN-BQYQJAHWSA-N 0 0 282.730 3.864 50 30 CHEARN CCOC(=O)c1ccc(NC=C2CCC[C@H](C)C2=O)cc1 ZINC000003639211 169905398 /nfs/dbraw/zinc/90/53/98/169905398.db2.gz QILOQIZGPVTJGT-PBBNAPBQSA-N 0 0 287.359 3.548 50 30 CHEARN Cc1ccc2cc(C)c(NN=Cc3cccnc3)nc2c1 ZINC000004719070 170004962 /nfs/dbraw/zinc/00/49/62/170004962.db2.gz KCVVYUKNOSWKCX-YBFXNURJSA-N 0 0 276.343 3.693 50 30 CHEARN C/C(=N\N=c1/sc2ccccc2n1C)c1ccccc1 ZINC000004793373 170018213 /nfs/dbraw/zinc/01/82/13/170018213.db2.gz AIWFKBWBZIPMHA-XCXBMYBGSA-N 0 0 281.384 3.565 50 30 CHEARN C=CCNC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000004813931 170022062 /nfs/dbraw/zinc/02/20/62/170022062.db2.gz FMDVMIWCTXHLDH-UHFFFAOYSA-N 0 0 295.260 3.881 50 30 CHEARN COc1ccc(C(=O)/C=C/c2cccc(OC)c2OC)cc1 ZINC000004829442 170025358 /nfs/dbraw/zinc/02/53/58/170025358.db2.gz IECVLMVZGCYCSZ-FMIVXFBMSA-N 0 0 298.338 3.609 50 30 in-vitro CHEARN C=CCOc1ccc(NC(=O)c2cccc(OC)c2)cc1 ZINC000004838747 170026722 /nfs/dbraw/zinc/02/67/22/170026722.db2.gz KACBSDURNPLLRZ-UHFFFAOYSA-N 0 0 283.327 3.512 50 30 CHEARN CCOc1cc(C#N)ccc1OCc1ccc(F)cc1 ZINC000004837926 170027026 /nfs/dbraw/zinc/02/70/26/170027026.db2.gz ACQGDLCXVYRQGD-UHFFFAOYSA-N 0 0 271.291 3.675 50 30 CHEARN C=CCOc1cccc(C(=O)Nc2nc(C)c(C)s2)c1 ZINC000004840986 170027934 /nfs/dbraw/zinc/02/79/34/170027934.db2.gz MXUIQOOZNLFYSW-UHFFFAOYSA-N 0 0 288.372 3.577 50 30 CHEARN C=CCOc1cccc(NC(=O)c2ccccc2)c1 ZINC000004855845 170030929 /nfs/dbraw/zinc/03/09/29/170030929.db2.gz QLLXAGSWTMCJDX-UHFFFAOYSA-N 0 0 253.301 3.504 50 30 CHEARN C=CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1 ZINC000004868995 170034280 /nfs/dbraw/zinc/03/42/80/170034280.db2.gz BYZCPYPLGUGPNF-UHFFFAOYSA-N 0 0 297.354 3.821 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1OC ZINC000004954154 170045262 /nfs/dbraw/zinc/04/52/62/170045262.db2.gz MBFUXAKECSBERE-CSKARUKUSA-N 0 0 282.339 3.908 50 30 CHEARN CN(C)c1ccc(C=[NH+][N-]c2cccc3cccnc32)cc1 ZINC000004991240 170050511 /nfs/dbraw/zinc/05/05/11/170050511.db2.gz UXVIRGRVDIAGKQ-DEDYPNTBSA-N 0 0 290.370 3.747 50 30 CHEARN CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2)cc1 ZINC000005068494 170063343 /nfs/dbraw/zinc/06/33/43/170063343.db2.gz LIPQXABAYAKUJH-KPKJPENVSA-N 0 0 282.339 3.990 50 30 CHEARN N#Cc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1 ZINC000005127600 170068868 /nfs/dbraw/zinc/06/88/68/170068868.db2.gz NWLQTSUNPOMVPU-VMPITWQZSA-N 0 0 269.250 3.733 50 30 CHEARN CN(C)c1ccc(C(=O)/C=C/c2ccc(C#N)cc2)cc1 ZINC000005127859 170068874 /nfs/dbraw/zinc/06/88/74/170068874.db2.gz QFUATAZEPSXBFN-KPKJPENVSA-N 0 0 276.339 3.520 50 30 CHEARN CC(=O)c1cccc2c1=NC1=C(CN=2)C(=O)CC(C)(C)C1 ZINC000005137079 170070035 /nfs/dbraw/zinc/07/00/35/170070035.db2.gz JTRUXFRWCVMMPB-UHFFFAOYSA-N 0 0 282.343 3.660 50 30 CHEARN CO/N=C1\C[C@@H](C)Cc2nnc(-c3ccc(F)c(C)c3)cc21 ZINC000005212286 170076671 /nfs/dbraw/zinc/07/66/71/170076671.db2.gz CUSRGEAFLNBMJW-JGUYYCHDSA-N 0 0 299.349 3.524 50 30 CHEARN COc1cccc(/C=N/c2ccc(F)cc2Cl)c1O ZINC000005287516 170083358 /nfs/dbraw/zinc/08/33/58/170083358.db2.gz YDEMGGMMNMWORX-CAOOACKPSA-N 0 0 279.698 3.944 50 30 CHEARN CO/N=C1/C[C@H](C)Cc2c1cc(C)n2-c1ccc(F)cc1 ZINC000005362568 170089632 /nfs/dbraw/zinc/08/96/32/170089632.db2.gz RMMOKZABXSNVBA-WTAXECHQSA-N 0 0 286.350 3.858 50 30 CHEARN C=CCn1c2ccc(OC)cc2c2nc3ccccc3nc21 ZINC000005516549 170107300 /nfs/dbraw/zinc/10/73/00/170107300.db2.gz UVGHUFLOXDQJGR-UHFFFAOYSA-N 0 0 289.338 3.932 50 30 CHEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccco3)S2)cc1C ZINC000005589079 170116473 /nfs/dbraw/zinc/11/64/73/170116473.db2.gz JXTJVDBIQKIAAJ-ZROIWOOFSA-N 0 0 298.367 3.788 50 30 CHEARN CC[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000005666291 170125484 /nfs/dbraw/zinc/12/54/84/170125484.db2.gz LACVQCNLGZFCJS-MRXNPFEDSA-N 0 0 264.328 3.691 50 30 CHEARN CCCN(CCC#N)C(=S)Nc1ccc(C)c(C)c1 ZINC000005784844 170140445 /nfs/dbraw/zinc/14/04/45/170140445.db2.gz QALMILOFOBCJCX-UHFFFAOYSA-N 0 0 275.421 3.626 50 30 CHEARN CCOc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O ZINC000005906387 170152900 /nfs/dbraw/zinc/15/29/00/170152900.db2.gz NZNZJVAIPRWUNW-YVLHZVERSA-N 0 0 296.322 3.710 50 30 biogenic CHEARN COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1O ZINC000005915905 170154738 /nfs/dbraw/zinc/15/47/38/170154738.db2.gz KCTNGNPVURILGU-KRXBUXKQSA-N 0 0 288.730 3.950 50 30 CHEARN CC(=O)Nc1cccc(C(=O)/C=C/c2ccsc2)c1 ZINC000006341145 170193975 /nfs/dbraw/zinc/19/39/75/170193975.db2.gz ZAWRIUPSRRJQTC-AATRIKPKSA-N 0 0 271.341 3.603 50 30 CHEARN N#Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000006375120 170195953 /nfs/dbraw/zinc/19/59/53/170195953.db2.gz IYMRFDHFEGICMF-UHFFFAOYSA-N 0 0 262.268 3.557 50 30 CHEARN O=C1C[C@H](c2ccco2)CC2=Nc3ccccc3N=CC12 ZINC000006498655 170207032 /nfs/dbraw/zinc/20/70/32/170207032.db2.gz WEOQQHOOSDUXHE-LLVKDONJSA-N 0 0 278.311 3.808 50 30 CHEARN C=CCn1c(=S)[nH]nc1-c1csc(C)c1CC ZINC000006519531 170208932 /nfs/dbraw/zinc/20/89/32/170208932.db2.gz MPJVRRILZIGBDP-UHFFFAOYSA-N 0 0 265.407 3.726 50 30 CHEARN C=CCOc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000006701010 170229403 /nfs/dbraw/zinc/22/94/03/170229403.db2.gz QTTXJVKOKHGORM-ZIAGYGMSSA-N 0 0 273.376 3.655 50 30 CHEARN COc1ccc(O)c(C(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000006736027 170236350 /nfs/dbraw/zinc/23/63/50/170236350.db2.gz AOJRQRFPKBBMPX-XBXARRHUSA-N 0 0 288.730 3.950 50 30 CHEARN Cn1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000006828129 170247375 /nfs/dbraw/zinc/24/73/75/170247375.db2.gz MLOQFYINEKKIJV-GORDUTHDSA-N 0 0 281.142 3.623 50 30 CHEARN COc1ccccc1/C=C/c1nc(C#N)c(NCC(C)C)o1 ZINC000006883683 170252772 /nfs/dbraw/zinc/25/27/72/170252772.db2.gz DFQVDMBSPNQKBM-CMDGGOBGSA-N 0 0 297.358 3.793 50 30 CHEARN CC[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc(C)cc1 ZINC000007792499 170303049 /nfs/dbraw/zinc/30/30/49/170303049.db2.gz HBEQEVXQQLLAMM-KRWDZBQOSA-N 0 0 278.355 3.748 50 30 CHEARN Cc1cc(C)c(OC(=O)c2cccc(C#N)c2)c(C)c1 ZINC000007797228 170303592 /nfs/dbraw/zinc/30/35/92/170303592.db2.gz ZBBYFCVCLDVOSP-UHFFFAOYSA-N 0 0 265.312 3.703 50 30 CHEARN COc1ccc(C)cc1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000007915495 170307632 /nfs/dbraw/zinc/30/76/32/170307632.db2.gz PQLYKVBIENRKCQ-CMDGGOBGSA-N 0 0 277.323 3.771 50 30 CHEARN N#Cc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1 ZINC000008015115 170313516 /nfs/dbraw/zinc/31/35/16/170313516.db2.gz HCUUMAQCKFCFQD-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN CCOc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1 ZINC000008322404 170331054 /nfs/dbraw/zinc/33/10/54/170331054.db2.gz RUOLPVLVNKGHPV-DHZHZOJOSA-N 0 0 268.312 3.687 50 30 CHEARN CCCCCCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000008453310 170336563 /nfs/dbraw/zinc/33/65/63/170336563.db2.gz YXMSMTPSKFSODB-UHFFFAOYSA-N 0 0 264.325 3.894 50 30 CHEARN C=C(C)COc1ccccc1C(=O)Nc1ccccc1 ZINC000008538018 170339680 /nfs/dbraw/zinc/33/96/80/170339680.db2.gz PNQCEOALXBGNFJ-UHFFFAOYSA-N 0 0 267.328 3.894 50 30 CHEARN C[C@H]1C[C@H](C)CN(C(=S)NC2CCCCC2)C1 ZINC000008690602 170345786 /nfs/dbraw/zinc/34/57/86/170345786.db2.gz QLNVTSLHVPXNKC-RYUDHWBXSA-N 0 0 254.443 3.583 50 30 CHEARN O=C(/C=C/c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000008715801 170348879 /nfs/dbraw/zinc/34/88/79/170348879.db2.gz RGMMFOHZUXUSPV-IZZDOVSWSA-N 0 0 274.323 3.768 50 30 CHEARN O=C1c2ccc(O)cc2O/C1=C\c1ccc2ccccc2n1 ZINC000008792580 170356101 /nfs/dbraw/zinc/35/61/01/170356101.db2.gz QKLICKFAHNDKHG-MFOYZWKCSA-N 0 0 289.290 3.557 50 30 biogenic CHEARN N#CCc1ccc(Nc2ncnc3sccc32)cc1 ZINC000009313535 170371092 /nfs/dbraw/zinc/37/10/92/170371092.db2.gz LOKJSAFPLXHUMO-UHFFFAOYSA-N 0 0 266.329 3.501 50 30 CHEARN Cc1ccc([C@@H](C#N)N2CCC(c3ccccc3)=N2)cc1 ZINC000009355836 170373721 /nfs/dbraw/zinc/37/37/21/170373721.db2.gz FEVDWDQGSXLTOD-GOSISDBHSA-N 0 0 275.355 3.670 50 30 CHEARN N#Cc1ccsc1NC(=O)CCCc1cccs1 ZINC000009377612 170375182 /nfs/dbraw/zinc/37/51/82/170375182.db2.gz HZSZQDGTFDVVEF-UHFFFAOYSA-N 0 0 276.386 3.643 50 30 CHEARN C=CCOc1ccccc1NC(=O)c1ccccc1 ZINC000009815058 170385902 /nfs/dbraw/zinc/38/59/02/170385902.db2.gz VMAVRRZOKHDNRE-UHFFFAOYSA-N 0 0 253.301 3.504 50 30 CHEARN C=C(C)COc1cccc(NC(=O)c2cccs2)c1 ZINC000009823785 170386404 /nfs/dbraw/zinc/38/64/04/170386404.db2.gz HCOCEUSTPZTARS-UHFFFAOYSA-N 0 0 273.357 3.955 50 30 CHEARN O=C1c2ccccc2OC/C1=C/c1ccc(Cl)cc1 ZINC000012368251 170480285 /nfs/dbraw/zinc/48/02/85/170480285.db2.gz DCQYQJQFGBXYDD-XFXZXTDPSA-N 0 0 270.715 3.999 50 30 CHEARN N#Cc1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000012599518 170500181 /nfs/dbraw/zinc/50/01/81/170500181.db2.gz JTVJMAAEVDXIRL-UHFFFAOYSA-N 0 0 265.341 3.727 50 30 CHEARN O=C1c2cc(F)ccc2OCC/C1=C\c1ccsc1 ZINC000012758376 170508066 /nfs/dbraw/zinc/50/80/66/170508066.db2.gz UMVJZFBTESZBTB-YRNVUSSQSA-N 0 0 274.316 3.936 50 30 CHEARN COc1ccc(/N=C/c2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000018032121 170740520 /nfs/dbraw/zinc/74/05/20/170740520.db2.gz AOWCZJIJPQAVHM-YBFXNURJSA-N 0 0 292.338 3.596 50 30 CHEARN N#CCSc1ccccc1C(=O)Nc1cccc(F)c1 ZINC000021706780 171319448 /nfs/dbraw/zinc/31/94/48/171319448.db2.gz MVAJQFOZZWMSEK-UHFFFAOYSA-N 0 0 286.331 3.694 50 30 CHEARN COc1cccc(NC(=O)c2ccccc2SCC#N)c1 ZINC000021706751 171319684 /nfs/dbraw/zinc/31/96/84/171319684.db2.gz XZPFPVYAJPMPDE-UHFFFAOYSA-N 0 0 298.367 3.563 50 30 CHEARN COc1cc(C#N)cc(Cl)c1OC(=O)c1ccsc1 ZINC000024697696 171439479 /nfs/dbraw/zinc/43/94/79/171439479.db2.gz LVXHOCQLQDNYPI-UHFFFAOYSA-N 0 0 293.731 3.501 50 30 CHEARN CCN(CC)C(=O)c1ccccc1-c1ccccc1C#N ZINC000027475357 171517909 /nfs/dbraw/zinc/51/79/09/171517909.db2.gz OOYGAIGBNMTOKO-UHFFFAOYSA-N 0 0 278.355 3.707 50 30 CHEARN O=[N+]([O-])c1ccc(NN=Cc2ccccc2Cl)cc1 ZINC000031723665 171644597 /nfs/dbraw/zinc/64/45/97/171644597.db2.gz VYNDYTODNXRKJN-DHDCSXOGSA-N 0 0 275.695 3.694 50 30 CHEARN CCOc1ccccc1/C=C1/Cc2ccccc2C1=O ZINC000033472183 171804838 /nfs/dbraw/zinc/80/48/38/171804838.db2.gz YFWPUXGGJLUEKD-QINSGFPZSA-N 0 0 264.324 3.908 50 30 CHEARN O=C1c2cccn2C/C1=C\c1ccc2ccccc2c1 ZINC000040039786 174184425 /nfs/dbraw/zinc/18/44/25/174184425.db2.gz BNKNTNVWBIYFRE-LFIBNONCSA-N 0 0 259.308 3.921 50 30 CHEARN C=CCOc1cc(C(=O)N2CCCCC2)cc2occc21 ZINC000072240273 176347987 /nfs/dbraw/zinc/34/79/87/176347987.db2.gz AGESYZSYGWFYJV-UHFFFAOYSA-N 0 0 285.343 3.624 50 30 CHEARN C=CCOc1cc(C(=O)N(CC=C)CC=C)cc2occc21 ZINC000072240261 176348115 /nfs/dbraw/zinc/34/81/15/176348115.db2.gz WTYVAAQPIHCIRL-UHFFFAOYSA-N 0 0 297.354 3.812 50 30 CHEARN N#Cc1ccccc1[C@@H](C#N)c1ccc(Cl)cc1 ZINC000003133304 260011138 /nfs/dbraw/zinc/01/11/38/260011138.db2.gz NLYDHCDZKHWMOB-HNNXBMFYSA-N 0 0 252.704 3.867 50 30 CHEARN O=C(C1=C(O)C(=Cc2ccc(O)cc2)CCC1)C(F)(F)F ZINC000039277145 260171927 /nfs/dbraw/zinc/17/19/27/260171927.db2.gz WJMPXEAGGXTQMC-TXXRRDSISA-N 0 0 298.260 3.903 50 30 CHEARN N#CC1(C(=O)N2CC=C(c3ccc(F)cc3)CC2)CCCC1 ZINC000071794478 260274138 /nfs/dbraw/zinc/27/41/38/260274138.db2.gz DZEWCTDSISVMMB-UHFFFAOYSA-N 0 0 298.361 3.525 50 30 CHEARN Cc1ccc(C(C)C)c(OCC#CCNCc2ccco2)c1 ZINC000008752967 261080281 /nfs/dbraw/zinc/08/02/81/261080281.db2.gz LAMSBKSJJYTFPS-UHFFFAOYSA-N 0 0 297.398 3.883 50 30 CHEARN Cc1cc(Cl)ccc1NC(=O)c1cccc(C#N)c1 ZINC000005577856 261358654 /nfs/dbraw/zinc/35/86/54/261358654.db2.gz LQOOHTNRUHWNMD-UHFFFAOYSA-N 0 0 270.719 3.772 50 30 CHEARN CC(C)Oc1cncc(C(=O)N[C@@]2(C)CC=CCC2)c1 ZINC000331338379 264194704 /nfs/dbraw/zinc/19/47/04/264194704.db2.gz JKBOKFXSZSDBBV-INIZCTEOSA-N 0 0 274.364 3.672 50 30 CHEARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)/C=C/N(C)C ZINC000043798948 326935911 /nfs/dbraw/zinc/93/59/11/326935911.db2.gz YNKSIKCLBRHNMU-MDZDMXLPSA-N 0 0 286.400 3.685 50 30 CHEARN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000000443002 534772680 /nfs/dbraw/zinc/77/26/80/534772680.db2.gz VOPLDSXLRUPECJ-VQHVLOKHSA-N 0 0 283.283 3.847 50 30 CHEARN COc1cccc(C(=O)C=CNc2ccc(N(C)C)cc2)c1 ZINC000000465479 525780717 /nfs/dbraw/zinc/78/07/17/525780717.db2.gz IZKMQDYOKKVELA-VAWYXSNFSA-N 0 0 296.370 3.570 50 30 CHEARN C=CCc1ccccc1OCc1nc2cc(OC)ccc2[nH]1 ZINC000033004134 527266201 /nfs/dbraw/zinc/26/62/01/527266201.db2.gz IOXDMGVELJWFLT-UHFFFAOYSA-N 0 0 294.354 3.879 50 30 CHEARN N#Cc1ccc(NC(=O)[C@H]2CCCSC2)cc1Cl ZINC000329791004 567929979 /nfs/dbraw/zinc/92/99/79/567929979.db2.gz DFNJUTBYJLOUFO-JTQLQIEISA-N 0 0 280.780 3.943 50 30 CHEARN Cc1sc(/N=C/c2ccccc2O)c(C#N)c1C ZINC000100032781 570256740 /nfs/dbraw/zinc/25/67/40/570256740.db2.gz YTDLXGRSRDVSKQ-LZYBPNLTSA-N 0 0 256.330 3.693 50 30 CHEARN CCCN(CC1CC1)c1oc(-c2ccc(F)cc2)nc1C#N ZINC000003305686 566850792 /nfs/dbraw/zinc/85/07/92/566850792.db2.gz JBBWRDTYLPXFJL-UHFFFAOYSA-N 0 0 299.349 3.979 50 30 CHEARN C=CCNC(=O)[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000002500792 566860825 /nfs/dbraw/zinc/86/08/25/566860825.db2.gz JFSZAPMLZVPJDQ-XBMUEBEBSA-N 0 0 289.378 3.586 50 30 CHEARN N#Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000001384858 566867537 /nfs/dbraw/zinc/86/75/37/566867537.db2.gz MCJLGBCVCPGBIF-UHFFFAOYSA-N 0 0 259.721 3.588 50 30 CHEARN C=CCSc1nnc(-c2ccccc2Cl)o1 ZINC000059188507 566876588 /nfs/dbraw/zinc/87/65/88/566876588.db2.gz KSRCZDWXFWGGDO-UHFFFAOYSA-N 0 0 252.726 3.668 50 30 CHEARN N#Cc1cccc(NC(=O)c2ccc(F)cc2Cl)c1 ZINC000012767765 566882779 /nfs/dbraw/zinc/88/27/79/566882779.db2.gz CNPPWHKZXLZJBV-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN C=CCNC(=S)N1CCc2c3ccccc3[nH]c2[C@H]1C ZINC000013521659 566897398 /nfs/dbraw/zinc/89/73/98/566897398.db2.gz FEPJEXLFDUWIAV-LLVKDONJSA-N 0 0 285.416 3.559 50 30 CHEARN C=CCN(C(=O)c1ccc2snnc2c1)c1ccccc1 ZINC000000095028 566897909 /nfs/dbraw/zinc/89/79/09/566897909.db2.gz ZVFAPMZUPKMFKT-UHFFFAOYSA-N 0 0 295.367 3.524 50 30 CHEARN C=CC[C@H]([NH2+]Cc1ccco1)c1ccc(N(C)C)cc1 ZINC000000250577 566898980 /nfs/dbraw/zinc/89/89/80/566898980.db2.gz PFLIGGWMYMSVHX-KRWDZBQOSA-N 0 0 270.376 3.753 50 30 CHEARN C#CCOc1ccc(CNc2ccc(F)cc2)cc1OCC ZINC000002140665 566903634 /nfs/dbraw/zinc/90/36/34/566903634.db2.gz XNVQGZXQILLAMU-UHFFFAOYSA-N 0 0 299.345 3.849 50 30 CHEARN C=C(Br)CCc1cccc(C(=O)OCC)c1 ZINC000002245359 566903760 /nfs/dbraw/zinc/90/37/60/566903760.db2.gz MBYUCSRIHQKAMP-UHFFFAOYSA-N 0 0 283.165 3.705 50 30 CHEARN COc1ccc(C[C@H](C#N)c2ccc(OC)cc2)cc1 ZINC000004582735 566911366 /nfs/dbraw/zinc/91/13/66/566911366.db2.gz WXTLYNYQEYBSHU-OAHLLOKOSA-N 0 0 267.328 3.554 50 30 CHEARN COc1ccc(OC)c(/C=N/c2ccc(C)cc2)c1 ZINC000002171617 566914284 /nfs/dbraw/zinc/91/42/84/566914284.db2.gz VJCDRUUUTBOCBX-GZTJUZNOSA-N 0 0 255.317 3.763 50 30 CHEARN CCOc1ccc(/N=C/c2cc(OC)ccc2OC)cc1 ZINC000002171638 566914921 /nfs/dbraw/zinc/91/49/21/566914921.db2.gz RIYAMISYXHCSIE-LDADJPATSA-N 0 0 285.343 3.853 50 30 CHEARN C=C[C@]1(O)CCCC[C@@H]1C1=C[C@H]2[C@@H](C[C@H]1OC)C2(C)C ZINC000071786520 566917502 /nfs/dbraw/zinc/91/75/02/566917502.db2.gz UFTZBGUGBMLGCF-DXWTWGPWSA-N 0 0 276.420 3.711 50 30 CHEARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(C#N)cc1 ZINC000049545476 566926024 /nfs/dbraw/zinc/92/60/24/566926024.db2.gz AOBLBNSLIANMDZ-CYBMUJFWSA-N 0 0 294.358 3.633 50 30 CHEARN Cc1ccc(/C=C2/Sc3nc(C)cc(C)c3C2=O)o1 ZINC000075287201 566940341 /nfs/dbraw/zinc/94/03/41/566940341.db2.gz KXWBZACJTRUCSK-KPKJPENVSA-N 0 0 271.341 3.929 50 30 CHEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CCC2=O ZINC000242548813 566968353 /nfs/dbraw/zinc/96/83/53/566968353.db2.gz LUJVUUWNAPIQQI-RFLLJTPXSA-N 0 0 284.399 3.863 50 30 in-vitro CHEARN C#CCC[C@@H](CC)OC(=O)C[C@H](C)c1ccccc1OC ZINC000079111817 566973664 /nfs/dbraw/zinc/97/36/64/566973664.db2.gz CESXXTCMKNIMRV-LSDHHAIUSA-N 0 0 288.387 3.924 50 30 CHEARN N#Cc1cccc(C(=O)N2CCC[C@@H]2c2ccsc2)c1 ZINC000036397941 567002458 /nfs/dbraw/zinc/00/24/58/567002458.db2.gz GJUKZQRHGHDIBD-OAHLLOKOSA-N 0 0 282.368 3.597 50 30 CHEARN N#Cc1ccccc1N=NNc1cccc([N+](=O)[O-])c1 ZINC000016921635 567027367 /nfs/dbraw/zinc/02/73/67/567027367.db2.gz KHEXCBDPEVFPGF-UHFFFAOYSA-N 0 0 267.248 3.577 50 30 CHEARN CC(=O)/C(=C\c1ccc(N(C)C)cc1)C(=O)c1ccccc1 ZINC000016957431 567030538 /nfs/dbraw/zinc/03/05/38/567030538.db2.gz FKIAMBAPWGKHRW-QGOAFFKASA-N 0 0 293.366 3.608 50 30 CHEARN O=[N+]([O-])c1ccccc1C=Nc1ccccc1Cl ZINC000252462068 567051537 /nfs/dbraw/zinc/05/15/37/567051537.db2.gz PMTVGHRWZFDOMT-UHFFFAOYSA-N 0 0 260.680 3.999 50 30 CHEARN CCOc1ccc(/N=C/c2ccc(OC)cc2)cc1 ZINC000001045266 567055977 /nfs/dbraw/zinc/05/59/77/567055977.db2.gz QFRLSYNEBYPEHA-SFQUDFHCSA-N 0 0 255.317 3.845 50 30 CHEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CCC2=NN ZINC000252606877 567065872 /nfs/dbraw/zinc/06/58/72/567065872.db2.gz GWWXKVVUGDVQGO-KONPQCLYSA-N 0 0 284.403 3.563 50 30 CHEARN N#C[C@H](C(=O)CC1=CCCCC1)c1nc2ccccc2[nH]1 ZINC000066003469 567068038 /nfs/dbraw/zinc/06/80/38/567068038.db2.gz DKIYHHZEPQFBCV-CYBMUJFWSA-N 0 0 279.343 3.630 50 30 CHEARN C[C@@H](CN=Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000252617256 567068287 /nfs/dbraw/zinc/06/82/87/567068287.db2.gz KPKLTYVCSMKXQN-LBPRGKRZSA-N 0 0 269.304 3.796 50 30 CHEARN CC(=NOC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000252630029 567069400 /nfs/dbraw/zinc/06/94/00/567069400.db2.gz USZMRMOXPZKKKA-DLBZAZTESA-N 0 0 279.339 3.758 50 30 CHEARN C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3CC(=O)[C@@H]4O[C@@H]4[C@@]3(C)[C@@H]1CC2 ZINC000025544856 567088118 /nfs/dbraw/zinc/08/81/18/567088118.db2.gz AELKZYLQKXEYRL-YDYJPCBBSA-N 0 0 288.431 3.976 50 30 CHEARN C[C@@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1[C@H]1O[C@H]1C2=O ZINC000039941939 567088168 /nfs/dbraw/zinc/08/81/68/567088168.db2.gz JORKPPZTZOSXIM-LVMKNDMYSA-N 0 0 288.431 3.976 50 30 CHEARN CC(C)(C(=O)NCC#Cc1ccccc1)c1ccc(O)cc1 ZINC000328594486 567120080 /nfs/dbraw/zinc/12/00/80/567120080.db2.gz NSGVAZZWKPNXGJ-UHFFFAOYSA-N 0 0 293.366 3.678 50 30 CHEARN Cc1cccc(CCC(=O)c2cccc(C#N)c2)c1C ZINC000002517427 567120571 /nfs/dbraw/zinc/12/05/71/567120571.db2.gz KGHJQVWKEMDCIP-UHFFFAOYSA-N 0 0 263.340 3.991 50 30 CHEARN Cc1cc(C)cc(CCC(=O)c2ccccc2C#N)c1 ZINC000002517686 567120858 /nfs/dbraw/zinc/12/08/58/567120858.db2.gz SFIAPBVXEPAHKO-UHFFFAOYSA-N 0 0 263.340 3.991 50 30 CHEARN N#Cc1ccccc1CNc1ccccc1Br ZINC000020051601 567125542 /nfs/dbraw/zinc/12/55/42/567125542.db2.gz VXKZNPPOFXIHCX-UHFFFAOYSA-N 0 0 287.160 3.933 50 30 CHEARN CC(C)(C#N)CC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000280111306 567135594 /nfs/dbraw/zinc/13/55/94/567135594.db2.gz XVESQNSPJJQGBN-HIFRSBDPSA-N 0 0 288.366 3.518 50 30 CHEARN O=C1c2ccccc2OC/C1=C/c1ccc(F)c(F)c1 ZINC000096305137 567140332 /nfs/dbraw/zinc/14/03/32/567140332.db2.gz RRGAEVVQUWDQIN-XFFZJAGNSA-N 0 0 272.250 3.624 50 30 CHEARN COc1cccc(/C=C\C(=O)c2ccc(F)c(F)c2)c1 ZINC000096297667 567140753 /nfs/dbraw/zinc/14/07/53/567140753.db2.gz RHQDHEBZIMWUPN-YVMONPNESA-N 0 0 274.266 3.870 50 30 CHEARN O=C(/C=C\c1cccnc1)c1ccc(N2CCCCC2)cc1 ZINC000096297675 567141371 /nfs/dbraw/zinc/14/13/71/567141371.db2.gz KHOIRNGSJYIDQO-WDZFZDKYSA-N 0 0 292.382 3.968 50 30 CHEARN COc1ccc(OC)c(C(=O)/C=C\c2ccccc2OC)c1 ZINC000096401287 567141844 /nfs/dbraw/zinc/14/18/44/567141844.db2.gz GNXWDCYUIVJPQR-NTMALXAHSA-N 0 0 298.338 3.609 50 30 CHEARN C[C@@H]1CCCN(c2oc(-c3cccc(F)c3)nc2C#N)C1 ZINC000096346375 567141875 /nfs/dbraw/zinc/14/18/75/567141875.db2.gz XPWUWMFFGMQMKZ-LLVKDONJSA-N 0 0 285.322 3.589 50 30 CHEARN CCCC[C@H](CC)CC(=O)[C@H](C#N)c1nc(C)cc(C)n1 ZINC000096409743 567142819 /nfs/dbraw/zinc/14/28/19/567142819.db2.gz QONVWUAJIGXNQZ-GJZGRUSLSA-N 0 0 287.407 3.876 50 30 CHEARN CCCC[C@@H](CC)CC(=O)[C@@H](C#N)c1nc(C)cc(C)n1 ZINC000096409740 567144043 /nfs/dbraw/zinc/14/40/43/567144043.db2.gz QONVWUAJIGXNQZ-HUUCEWRRSA-N 0 0 287.407 3.876 50 30 CHEARN CCOC(=O)c1sc(-n2c(C)ccc2C)c(C#N)c1C ZINC000002890599 567152443 /nfs/dbraw/zinc/15/24/43/567152443.db2.gz ACYFWZBLIUXUNL-UHFFFAOYSA-N 0 0 288.372 3.512 50 30 CHEARN CC(=O)N1c2ccccc2C(=O)/C1=C/c1sccc1C ZINC000002785869 567152903 /nfs/dbraw/zinc/15/29/03/567152903.db2.gz PWEMNRJUSLYLOU-ZROIWOOFSA-N 0 0 283.352 3.647 50 30 CHEARN N#CCSc1nc2ccccc2c(NC2CCCCC2)n1 ZINC000002948710 567155023 /nfs/dbraw/zinc/15/50/23/567155023.db2.gz KUZXPPYNZTUSEA-UHFFFAOYSA-N 0 0 298.415 3.990 50 30 CHEARN N#CCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000057464632 567157727 /nfs/dbraw/zinc/15/77/27/567157727.db2.gz BONARNRMWKNOOO-UHFFFAOYSA-N 0 0 269.144 3.627 50 30 CHEARN Cc1cc(C(=O)Nc2sccc2C#N)c2ccccc2n1 ZINC000003406814 567172929 /nfs/dbraw/zinc/17/29/29/567172929.db2.gz SWOGMGDDJXLGMM-UHFFFAOYSA-N 0 0 293.351 3.729 50 30 CHEARN N#Cc1ccc(CSc2ccc3c(c2)OCCO3)cc1 ZINC000003489526 567175946 /nfs/dbraw/zinc/17/59/46/567175946.db2.gz NFVDQOPDMMRADA-UHFFFAOYSA-N 0 0 283.352 3.622 50 30 CHEARN Cc1ccc2c(c1)CCCN2CCOc1ccccc1C#N ZINC000058823029 567180954 /nfs/dbraw/zinc/18/09/54/567180954.db2.gz JKYJMGYTYYITOF-UHFFFAOYSA-N 0 0 292.382 3.698 50 30 CHEARN CCN(CC)c1ccc(C=[NH+][N-]c2nc(C)cs2)cc1 ZINC000031829235 567182740 /nfs/dbraw/zinc/18/27/40/567182740.db2.gz AMMCMHHZEFUZMX-YBEGLDIGSA-N 0 0 288.420 3.744 50 30 CHEARN CCCCO/N=C1/c2ccccc2N(c2ccccc2)C1=O ZINC000004013157 567185291 /nfs/dbraw/zinc/18/52/91/567185291.db2.gz PSZSVHMSWFYWPG-ZPHPHTNESA-N 0 0 294.354 3.886 50 30 CHEARN CCCC[C@H]1CCC[S@+](c2cc(O)ccc2[O-])C1 ZINC000004084792 567187194 /nfs/dbraw/zinc/18/71/94/567187194.db2.gz JJHMEXRLDBFMEI-KPZWWZAWSA-O 0 0 267.414 3.675 50 30 CHEARN COc1cccc(/C=N/c2sc(C)c(C)c2C#N)c1O ZINC000004150678 567190495 /nfs/dbraw/zinc/19/04/95/567190495.db2.gz SONCUOKJQLDTBX-CAOOACKPSA-N 0 0 286.356 3.701 50 30 CHEARN CCCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066545452 567195267 /nfs/dbraw/zinc/19/52/67/567195267.db2.gz TUGYGJHYZSDKBA-CYBMUJFWSA-N 0 0 295.367 3.658 50 30 CHEARN N#Cc1cnc(NCc2cccc3cccnc32)c(Cl)c1 ZINC000069489061 567200145 /nfs/dbraw/zinc/20/01/45/567200145.db2.gz KDXCKJAJGQTTJU-UHFFFAOYSA-N 0 0 294.745 3.767 50 30 CHEARN Oc1ccc(/C=N/c2ccc(Br)cc2)cc1O ZINC000000046054 567816989 /nfs/dbraw/zinc/81/69/89/567816989.db2.gz SCESVRSZRKTPMC-OVCLIPMQSA-N 0 0 292.132 3.611 50 30 CHEARN Cc1ccccc1/C=N/c1cc([N+](=O)[O-])ccc1F ZINC000000095470 567818037 /nfs/dbraw/zinc/81/80/37/567818037.db2.gz RDUHEPFQQOUJPX-CXUHLZMHSA-N 0 0 258.252 3.793 50 30 CHEARN C[C@]1(c2ccccc2)OC(=O)[C@@H](C#N)C12CCCCC2 ZINC000000289525 567823937 /nfs/dbraw/zinc/82/39/37/567823937.db2.gz IBWRSXPLRFQYDT-GDBMZVCRSA-N 0 0 269.344 3.549 50 30 CHEARN NC(=O)c1ccccc1/N=C/c1cccc2ccccc12 ZINC000000297950 567824245 /nfs/dbraw/zinc/82/42/45/567824245.db2.gz ZLZLWMOYURNHCW-UDWIEESQSA-N 0 0 274.323 3.689 50 30 CHEARN Cc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000000296912 567824253 /nfs/dbraw/zinc/82/42/53/567824253.db2.gz LSNCGKYQMXSBJE-MHWRWJLKSA-N 0 0 254.289 3.962 50 30 CHEARN CC(=O)Oc1ccc(/C=C2/Sc3ccccc3C2=O)cc1 ZINC000000315438 567825187 /nfs/dbraw/zinc/82/51/87/567825187.db2.gz XIOBFTGKFOVORM-MHWRWJLKSA-N 0 0 296.347 3.941 50 30 CHEARN CC1=C(c2ccccc2)[C@@](O)(c2ccccc2)[C@H](C)C1=O ZINC000000391474 567828557 /nfs/dbraw/zinc/82/85/57/567828557.db2.gz VAAQGIJITBVELH-KUHUBIRLSA-N 0 0 278.351 3.567 50 30 CHEARN O=C1c2ccccc2C(=O)C1=Cc1cc(Cl)ccc1O ZINC000002561939 567847990 /nfs/dbraw/zinc/84/79/90/567847990.db2.gz KYYQWLXVJPSHSN-UHFFFAOYSA-N 0 0 284.698 3.508 50 30 CHEARN CCCCCCCNC(=O)COc1cccc(C)c1C ZINC000002863076 567849930 /nfs/dbraw/zinc/84/99/30/567849930.db2.gz LLSLHKDFRDRZLR-UHFFFAOYSA-N 0 0 277.408 3.769 50 30 CHEARN COc1ccc(OC)c(NC=CC(=O)c2ccccc2)c1 ZINC000002994172 567851037 /nfs/dbraw/zinc/85/10/37/567851037.db2.gz HHDHYFWVOOMKRY-ZHACJKMWSA-N 0 0 283.327 3.512 50 30 CHEARN Cn1c2ccccc2c(C(=O)CC#N)c1-c1ccccc1 ZINC000003289242 567852127 /nfs/dbraw/zinc/85/21/27/567852127.db2.gz PDGSUVUSLPTBIF-UHFFFAOYSA-N 0 0 274.323 3.942 50 30 CHEARN COc1ccc(C(=O)/C=C/c2cccs2)c(OC)c1 ZINC000003997961 567854482 /nfs/dbraw/zinc/85/44/82/567854482.db2.gz AVXJZBXDALNTAB-SOFGYWHQSA-N 0 0 274.341 3.661 50 30 CHEARN Cc1[nH]c2ccccc2c1C=NNc1ccc([N+](=O)[O-])cc1 ZINC000004099293 567855063 /nfs/dbraw/zinc/85/50/63/567855063.db2.gz RBKVBYNUCKZGOJ-LICLKQGHSA-N 0 0 294.314 3.831 50 30 CHEARN COc1ccc(C(=O)/C=C/c2cccs2)cc1OC ZINC000004290093 567856520 /nfs/dbraw/zinc/85/65/20/567856520.db2.gz OTDMQXNDRHCXPL-VOTSOKGWSA-N 0 0 274.341 3.661 50 30 CHEARN O/N=C(\Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000004335881 567856889 /nfs/dbraw/zinc/85/68/89/567856889.db2.gz JONBOSZQNIIVDU-UHFFFAOYSA-N 0 0 280.249 3.953 50 30 CHEARN Cc1nc(N=NC2CCCc3ccccc32)sc1C ZINC000004323934 567856969 /nfs/dbraw/zinc/85/69/69/567856969.db2.gz YFWWVVRAYMYPSO-SAPNQHFASA-N 0 0 271.389 3.912 50 30 CHEARN Cc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000004416172 567857522 /nfs/dbraw/zinc/85/75/22/567857522.db2.gz IQVWSROYHAVGAA-SOFGYWHQSA-N 0 0 280.323 3.662 50 30 CHEARN COc1ccc(/C=C/C(=O)c2cccs2)cc1OC ZINC000004482178 567857788 /nfs/dbraw/zinc/85/77/88/567857788.db2.gz FLHBTIDYDRABCO-FNORWQNLSA-N 0 0 274.341 3.661 50 30 biogenic CHEARN COc1cccc2c1CC/C(=C\c1ccccc1)C2=O ZINC000004577574 567858267 /nfs/dbraw/zinc/85/82/67/567858267.db2.gz QMNLITROQHKLDF-WYMLVPIESA-N 0 0 264.324 3.908 50 30 CHEARN O=C(/C=C/c1ccc(Cl)cc1)c1cccc(O)c1 ZINC000004649236 567858576 /nfs/dbraw/zinc/85/85/76/567858576.db2.gz CJOVLNZNTALCJV-RMKNXTFCSA-N 0 0 258.704 3.942 50 30 CHEARN O=[N+]([O-])c1ccc(Cl)cc1N=NC1CCCCC1 ZINC000004618794 567858671 /nfs/dbraw/zinc/85/86/71/567858671.db2.gz FHJOUNPHYXPVOW-UHFFFAOYSA-N 0 0 267.716 3.980 50 30 CHEARN CC(=O)Nc1ccc(C(=O)/C=C\c2ccccc2)cc1 ZINC000012379608 567862981 /nfs/dbraw/zinc/86/29/81/567862981.db2.gz CUYJTAUCYGHYLW-GHXNOFRVSA-N 0 0 265.312 3.541 50 30 CHEARN N#Cc1ccc(Nc2ccnc3ccc(F)cc32)cc1 ZINC000032607199 567863262 /nfs/dbraw/zinc/86/32/62/567863262.db2.gz BPGHAUIMNRTPQN-UHFFFAOYSA-N 0 0 263.275 3.989 50 30 CHEARN Cc1ccc(C(=O)/C=C\C(=O)c2ccc(C)cc2)cc1 ZINC000013523385 567866159 /nfs/dbraw/zinc/86/61/59/567866159.db2.gz XHTZEZLDTOKEGI-QXMHVHEDSA-N 0 0 264.324 3.925 50 30 CHEARN CNC(=S)Nc1ccc(OCc2ccccc2)cc1 ZINC000013496743 567866196 /nfs/dbraw/zinc/86/61/96/567866196.db2.gz DCYNWWMJVSFZQO-UHFFFAOYSA-N 0 0 272.373 3.593 50 30 CHEARN C/C(=N\OC(=O)c1ccc(Cl)cc1)c1ccccc1O ZINC000013464456 567866370 /nfs/dbraw/zinc/86/63/70/567866370.db2.gz BFFPEGPNOAMBNK-LICLKQGHSA-N 0 0 289.718 3.627 50 30 CHEARN N#C[C@@H](C(=S)Nc1ccccc1)c1nc2ccccc2[nH]1 ZINC000013658639 567866558 /nfs/dbraw/zinc/86/65/58/567866558.db2.gz MADDIHBERRLZRF-GFCCVEGCSA-N 0 0 292.367 3.610 50 30 CHEARN Cc1cc(S[C@@H](C)C#N)n2c3ccccc3nc2c1C#N ZINC000004485073 567868199 /nfs/dbraw/zinc/86/81/99/567868199.db2.gz MQAGTOCTALAMJU-NSHDSACASA-N 0 0 292.367 3.672 50 30 CHEARN COc1ccc(C(C)N=Nc2cccc(Cl)n2)cc1 ZINC000004576284 567871514 /nfs/dbraw/zinc/87/15/14/567871514.db2.gz UQNJIDFPGNERNT-LICLKQGHSA-N 0 0 275.739 3.580 50 30 CHEARN CC[C@H](C)NC(=NC(=O)c1ccccc1C)OCC(C)C ZINC000004589220 567872536 /nfs/dbraw/zinc/87/25/36/567872536.db2.gz XSJAGASBRIAZKV-AWEZNQCLSA-N 0 0 290.407 3.552 50 30 CHEARN CC(N=Nc1nc(C(C)(C)C)cs1)c1ccc(O)cc1 ZINC000018105658 567876365 /nfs/dbraw/zinc/87/63/65/567876365.db2.gz LTNAFIFKJTYPQY-LICLKQGHSA-N 0 0 289.404 3.982 50 30 CHEARN CCOc1ccc(NC=CC(=O)c2ccc(OC)cc2)cc1 ZINC000018100381 567876379 /nfs/dbraw/zinc/87/63/79/567876379.db2.gz MFYHNUBVYBISRF-OUKQBFOZSA-N 0 0 297.354 3.902 50 30 CHEARN CN(C)c1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N ZINC000018244567 567876838 /nfs/dbraw/zinc/87/68/38/567876838.db2.gz XDMHFHIEGRYJPS-UHFFFAOYSA-N 0 0 291.276 3.705 50 30 CHEARN Cc1ccc2c(c1)/C(=N\c1ccc(C)cc1C)C(=O)N2 ZINC000018244042 567876950 /nfs/dbraw/zinc/87/69/50/567876950.db2.gz RWHDFEYAFQCNML-UHFFFAOYSA-N 0 0 264.328 3.685 50 30 CHEARN CCN1C(=O)CS/C1=N/c1ccc(Cl)c(Cl)c1 ZINC000018251518 567876957 /nfs/dbraw/zinc/87/69/57/567876957.db2.gz AEWXHIXQUWDUJN-SDNWHVSQSA-N 0 0 289.187 3.576 50 30 CHEARN CCCOc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000029753644 567884536 /nfs/dbraw/zinc/88/45/36/567884536.db2.gz KLWKEYUNRCQTLT-UHFFFAOYSA-N 0 0 254.289 3.534 50 30 CHEARN CCCCCCCCCCCCCC(=O)NCCO ZINC000059725634 567896934 /nfs/dbraw/zinc/89/69/34/567896934.db2.gz JHIXEZNTXMFXEK-UHFFFAOYSA-N 0 0 271.445 3.796 50 30 in-vitro CHEARN N#Cc1c(=S)[nH]c(-c2cccs2)c2c1CCCC2 ZINC000004640635 567897672 /nfs/dbraw/zinc/89/76/72/567897672.db2.gz XBFJWHLLHGQRFS-UHFFFAOYSA-N 0 0 272.398 3.849 50 30 CHEARN CCCCCCCCCCC[C@@H](O)CC(=O)OC ZINC000072399948 567902716 /nfs/dbraw/zinc/90/27/16/567902716.db2.gz UOZZAMWODZQSOA-CQSZACIVSA-N 0 0 258.402 3.831 50 30 in-vitro CHEARN CCCCCCCCCCCCN1CNC(=S)NC1 ZINC000078327629 567906020 /nfs/dbraw/zinc/90/60/20/567906020.db2.gz TYYWCVCFXRCUIP-UHFFFAOYSA-N 0 0 285.501 3.602 50 30 CHEARN CC(=O)Nc1ccc(/N=C/c2sccc2C)cc1 ZINC000000062458 567906474 /nfs/dbraw/zinc/90/64/74/567906474.db2.gz BZKMDBBNCJNZLT-OQLLNIDSSA-N 0 0 258.346 3.766 50 30 CHEARN N#Cc1sc(-c2ccccn2)nc1-c1ccccc1 ZINC000098072716 567907455 /nfs/dbraw/zinc/90/74/55/567907455.db2.gz UPVXOHSZQQAWEX-UHFFFAOYSA-N 0 0 263.325 3.744 50 30 CHEARN N#Cc1sc(-c2cccnc2)nc1-c1ccccc1 ZINC000098072721 567907539 /nfs/dbraw/zinc/90/75/39/567907539.db2.gz QBABKNRVLIDXCF-UHFFFAOYSA-N 0 0 263.325 3.744 50 30 CHEARN CC(=O)N(C)c1ccc(/N=C/c2ccc(C)s2)cc1 ZINC000096254679 567910043 /nfs/dbraw/zinc/91/00/43/567910043.db2.gz RUIUEKQMMMZWBJ-MHWRWJLKSA-N 0 0 272.373 3.790 50 30 CHEARN O=c1sc2ccccc2nc1Cc1ccccc1 ZINC000100095935 567912076 /nfs/dbraw/zinc/91/20/76/567912076.db2.gz MQWWHLFHJVMIOD-JLHYYAGUSA-N 0 0 253.326 3.772 50 30 CHEARN CCCCCNC=C1Sc2ccc(OCC)cc2C1=O ZINC000100174161 567912362 /nfs/dbraw/zinc/91/23/62/567912362.db2.gz HPLKOXVCIXDTNJ-PTNGSMBKSA-N 0 0 291.416 3.995 50 30 CHEARN COc1ccc(N=NC2c3ccccc3N=C2C)cc1 ZINC000100473587 567913296 /nfs/dbraw/zinc/91/32/96/567913296.db2.gz MPXRUBDUAMECCD-KNTRCKAVSA-N 0 0 265.316 3.617 50 30 CHEARN C[C@@H]1Cc2ccccc2N1Cc1cc(C#N)cs1 ZINC000095456980 567915366 /nfs/dbraw/zinc/91/53/66/567915366.db2.gz GJWBUKPRVISMJQ-LLVKDONJSA-N 0 0 254.358 3.571 50 30 CHEARN C=CC#CC(C)(C)c1ccc(OCC=C)c(OC)c1 ZINC000003093373 567915668 /nfs/dbraw/zinc/91/56/68/567915668.db2.gz DYOJSVXEPQQESN-UHFFFAOYSA-N 0 0 256.345 3.727 50 30 biogenic CHEARN O/N=C/c1cccnc1Sc1ccc(Cl)cc1 ZINC000100468452 567927242 /nfs/dbraw/zinc/92/72/42/567927242.db2.gz YXHNXLMYDOJIGJ-OVCLIPMQSA-N 0 0 264.737 3.694 50 30 CHEARN C=CCSc1nnc2cc(C)c3cccc(C)c3n21 ZINC000011907893 567928895 /nfs/dbraw/zinc/92/88/95/567928895.db2.gz WKASGPALHULBQQ-UHFFFAOYSA-N 0 0 269.373 3.777 50 30 CHEARN Cc1ccc(NN=C2CCc3ccccc3C2=O)cc1 ZINC000252636885 567930064 /nfs/dbraw/zinc/93/00/64/567930064.db2.gz XMWQRVJIHNLSNY-UHFFFAOYSA-N 0 0 264.328 3.592 50 30 CHEARN C=CCSc1nc2sc3c(c2c(N)n1)C[C@@H](C)CC3 ZINC000002592157 567930927 /nfs/dbraw/zinc/93/09/27/567930927.db2.gz XFNXFIJPOQACMU-QMMMGPOBSA-N 0 0 291.445 3.676 50 30 CHEARN O=C(Cc1nc2ccccc2sc1=O)c1ccc(F)cc1 ZINC000136623400 567932785 /nfs/dbraw/zinc/93/27/85/567932785.db2.gz KWYQANYRFFMVER-UKTHLTGXSA-N 0 0 299.326 3.637 50 30 CHEARN CC(C)c1nc([C@@H](C)Nc2ccc(C#N)nc2)cs1 ZINC000081003444 567933812 /nfs/dbraw/zinc/93/38/12/567933812.db2.gz CCDXIKTVPSNQTA-SNVBAGLBSA-N 0 0 272.377 3.706 50 30 CHEARN Clc1cccc(NC2=NCCCS2)c1Cl ZINC000017744487 567936697 /nfs/dbraw/zinc/93/66/97/567936697.db2.gz QTGFLYJUDMDZPU-UHFFFAOYSA-N 0 0 261.177 3.707 50 30 CHEARN C=CCc1cccc(/C=N/c2cncc(Cl)c2)c1O ZINC000003156376 567938977 /nfs/dbraw/zinc/93/89/77/567938977.db2.gz LRTDYDIABZNATB-QGMBQPNBSA-N 0 0 272.735 3.920 50 30 CHEARN CCC[C@@](C)(O)C#C[C@@](C)(O)c1ccc2ccccc2c1 ZINC000004013895 567940186 /nfs/dbraw/zinc/94/01/86/567940186.db2.gz DXMABHSRXYIDRB-RTBURBONSA-N 0 0 282.383 3.602 50 30 CHEARN Cc1ccc(-c2ccc(C=Nc3nc[nH]n3)o2)cc1Cl ZINC000018191728 567940346 /nfs/dbraw/zinc/94/03/46/567940346.db2.gz JIAITZIAVOMCNL-FRKPEAEDSA-N 0 0 286.722 3.777 50 30 CHEARN Cc1[nH]nc2c1[C@@H](C)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018197827 567940381 /nfs/dbraw/zinc/94/03/81/567940381.db2.gz NQFWDQMXEDUHLS-PSASIEDQSA-N 0 0 299.399 3.709 50 30 CHEARN Oc1ccc(Cl)cc1/C=N/c1ccc2c(c1)OCO2 ZINC000018196277 567940610 /nfs/dbraw/zinc/94/06/10/567940610.db2.gz JQWZFDDINFEXQF-FRKPEAEDSA-N 0 0 275.691 3.525 50 30 CHEARN O=C(C1=C(O)C(=Cc2ccc(O)cc2)CCC1)C(F)(F)F ZINC000101735005 567941266 /nfs/dbraw/zinc/94/12/66/567941266.db2.gz WJMPXEAGGXTQMC-FUPPWZCUSA-N 0 0 298.260 3.903 50 30 CHEARN O=C(C1=C(O)C(=Cc2ccc(O)cc2)CCC1)C(F)(F)F ZINC000101735008 567941405 /nfs/dbraw/zinc/94/14/05/567941405.db2.gz WJMPXEAGGXTQMC-SHQVAAIUSA-N 0 0 298.260 3.903 50 30 CHEARN CO[P@@](=O)(C#CC(C)(C)C)[C@@H](O)c1ccc(F)cc1 ZINC000000547424 567943121 /nfs/dbraw/zinc/94/31/21/567943121.db2.gz NKTJBGHVZOODSW-YJYMSZOUSA-N 0 0 284.267 3.748 50 30 CHEARN CCc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1 ZINC000000575548 567943824 /nfs/dbraw/zinc/94/38/24/567943824.db2.gz KQOIITAYXUUGKZ-HMMYKYKNSA-N 0 0 294.398 3.836 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])s2)cc1 ZINC000051330163 567944911 /nfs/dbraw/zinc/94/49/11/567944911.db2.gz RAVUDZSUFREUTE-SOFGYWHQSA-N 0 0 289.312 3.561 50 30 CHEARN C#CC(CC)(CC)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000003442852 567945648 /nfs/dbraw/zinc/94/56/48/567945648.db2.gz ZUBREQRLJHXSJG-UHFFFAOYSA-N 0 0 283.293 3.627 50 30 CHEARN Cc1cc(NC=CC(=O)c2ccc3c(c2)OCO3)ccc1F ZINC000044842767 567946016 /nfs/dbraw/zinc/94/60/16/567946016.db2.gz GPEXNBKTDXJQNA-VOTSOKGWSA-N 0 0 299.301 3.671 50 30 CHEARN COc1c(Cl)cc(Cl)cc1CN1CCC[C@H](C#N)C1 ZINC000216426253 567947611 /nfs/dbraw/zinc/94/76/11/567947611.db2.gz RDWXLPUOOGWHPC-SNVBAGLBSA-N 0 0 299.201 3.738 50 30 CHEARN CCc1ccc(CN=NC(=S)Nc2ccccc2)cc1 ZINC000012374265 567949108 /nfs/dbraw/zinc/94/91/08/567949108.db2.gz HXCTZYONZIBXKZ-ATVHPVEESA-N 0 0 283.400 3.981 50 30 CHEARN CCOc1ccc(/C=C/C(=O)c2ccc(N)cc2)cc1 ZINC000016991195 570225985 /nfs/dbraw/zinc/22/59/85/570225985.db2.gz OGUJDVUPWMVNPA-LFYBBSHMSA-N 0 0 267.328 3.564 50 30 CHEARN Cc1cscc1C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000176586648 570278359 /nfs/dbraw/zinc/27/83/59/570278359.db2.gz HRGGPWVOOBWUCX-QGZVFWFLSA-N 0 0 298.411 3.701 50 30 CHEARN OCC/N=C1/CCc2c3cc(C4CCCCC4)ccc3[nH]c21 ZINC000102893669 570285464 /nfs/dbraw/zinc/28/54/64/570285464.db2.gz JBYVFOPXRSPEMK-ZZEZOPTASA-N 0 0 296.414 3.943 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1c1ccsc1 ZINC000048231257 570296442 /nfs/dbraw/zinc/29/64/42/570296442.db2.gz DVXRFEMHTMSHKQ-CQSZACIVSA-N 0 0 299.355 3.869 50 30 CHEARN C[C@H](c1cccs1)N(C)C(=O)/C=C/c1ccccc1C#N ZINC000048249284 570296472 /nfs/dbraw/zinc/29/64/72/570296472.db2.gz WUHLTOQYPZDRAB-WTNCMQEWSA-N 0 0 296.395 3.853 50 30 CHEARN N#CCc1ccc(NCc2cnc(C3CC3)s2)cc1 ZINC000095940045 570301419 /nfs/dbraw/zinc/30/14/19/570301419.db2.gz DYHARYMYMFJKGD-UHFFFAOYSA-N 0 0 269.373 3.699 50 30 CHEARN N#CC1(C(=O)N2CCC3(CCCC3)CC2)CCCCC1 ZINC000062959366 570301108 /nfs/dbraw/zinc/30/11/08/570301108.db2.gz SPMWCTQCFFCXBH-UHFFFAOYSA-N 0 0 274.408 3.643 50 30 CHEARN CC(=[NH+][N-]c1ccc2ccccc2n1)c1ccc(N)cc1 ZINC000012362623 570311275 /nfs/dbraw/zinc/31/12/75/570311275.db2.gz GNMGLZJCXJHJLP-UDWIEESQSA-N 0 0 276.343 3.653 50 30 CHEARN N#CCN1CCc2cc(-c3nc4ccccc4s3)ccc21 ZINC000685944050 570318735 /nfs/dbraw/zinc/31/87/35/570318735.db2.gz YWRNHYRRBWKALL-UHFFFAOYSA-N 0 0 291.379 3.849 50 30 CHEARN Cc1ccc(C(=O)O[C@@H](C)C(C)(C)C#N)cc1Cl ZINC000084182878 570336166 /nfs/dbraw/zinc/33/61/66/570336166.db2.gz DWNZECINYPKSAC-JTQLQIEISA-N 0 0 265.740 3.744 50 30 CHEARN C#CCn1cnc(-c2ccccc2)c1CCc1ccccc1 ZINC000065433858 570335842 /nfs/dbraw/zinc/33/58/42/570335842.db2.gz IPQXNIFDFASUKH-UHFFFAOYSA-N 0 0 286.378 3.969 50 30 CHEARN N#Cc1cccnc1Oc1ccc(Oc2ccccn2)cc1 ZINC000012755596 570336831 /nfs/dbraw/zinc/33/68/31/570336831.db2.gz HYGSUDFLNSFLRA-UHFFFAOYSA-N 0 0 289.294 3.933 50 30 CHEARN C=CCOc1cccc(NC(=O)COc2ccc(C)cc2)c1 ZINC000012137977 570339396 /nfs/dbraw/zinc/33/93/96/570339396.db2.gz IMLASXHGHZBTBI-UHFFFAOYSA-N 0 0 297.354 3.577 50 30 CHEARN CSc1c(Cl)cccc1NC(=O)N(C)[C@@H](C)CC#N ZINC000086300209 570341304 /nfs/dbraw/zinc/34/13/04/570341304.db2.gz YDWDVDHSXJNNDS-VIFPVBQESA-N 0 0 297.811 3.828 50 30 CHEARN Cc1nc(C2CC2)nc(SCc2cccc(F)c2)c1C#N ZINC000012950218 570347982 /nfs/dbraw/zinc/34/79/82/570347982.db2.gz LXAHNJXTFFKUKO-UHFFFAOYSA-N 0 0 299.374 3.966 50 30 CHEARN CCCC(C#N)(CCC)NC(=O)[C@@H](C)c1ccsc1 ZINC000089949486 570369036 /nfs/dbraw/zinc/36/90/36/570369036.db2.gz ARKPRDUZMWCSJS-LBPRGKRZSA-N 0 0 278.421 3.830 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000000093456 570386492 /nfs/dbraw/zinc/38/64/92/570386492.db2.gz KUWFTPAQURHOBN-UHFFFAOYSA-N 0 0 256.286 3.618 50 30 CHEARN Cc1nc2ccc(NC(=O)c3ccc(C#N)cc3)cc2s1 ZINC000000191238 570387186 /nfs/dbraw/zinc/38/71/86/570387186.db2.gz IXKXBZDHMQHYHQ-UHFFFAOYSA-N 0 0 293.351 3.729 50 30 CHEARN N#Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC000012908872 570390257 /nfs/dbraw/zinc/39/02/57/570390257.db2.gz WMPDUIXOWVZFOJ-KRWDZBQOSA-N 0 0 291.354 3.927 50 30 CHEARN CC(C)CCn1cc(-c2cc(C#N)n(C(F)F)c2)cn1 ZINC000426495637 570394546 /nfs/dbraw/zinc/39/45/46/570394546.db2.gz OKXRMSZGEKRAAJ-UHFFFAOYSA-N 0 0 278.306 3.664 50 30 CHEARN COc1ccccc1NC(C)=C1C(=O)C[C@@H]2[C@H]1C2(C)C ZINC000012661643 570395487 /nfs/dbraw/zinc/39/54/87/570395487.db2.gz UZOQDLREUIMSED-OHLSAQJJSA-N 0 0 271.360 3.626 50 30 biogenic CHEARN O=C1c2ccc(O)cc2O/C1=C\C=C\c1ccccc1 ZINC000012662788 570395531 /nfs/dbraw/zinc/39/55/31/570395531.db2.gz ZSYCWSICLOFYGZ-GVEAZFNLSA-N 0 0 264.280 3.565 50 30 biogenic CHEARN C=C(C)[C@@H]1CC[C@@H](C)O[C@@H]1c1ccc2c(c1)OCO2 ZINC000012654026 570395581 /nfs/dbraw/zinc/39/55/81/570395581.db2.gz WDZGUUIUJGFBQD-PVXIVEMSSA-N 0 0 260.333 3.848 50 30 biogenic CHEARN N#Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000002649858 570397638 /nfs/dbraw/zinc/39/76/38/570397638.db2.gz DLWOIZMSQKQUDQ-UHFFFAOYSA-N 0 0 290.244 3.829 50 30 CHEARN N#Cc1c(NC(=O)Nc2ccccc2)sc2c1CCC2 ZINC000028579362 570397661 /nfs/dbraw/zinc/39/76/61/570397661.db2.gz NJBNSHYYLVPZKH-UHFFFAOYSA-N 0 0 283.356 3.752 50 30 CHEARN O=C1c2ccccc2SC/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000003368342 1125688407 /nfs/dbraw/zinc/68/84/07/1125688407.db2.gz YNMNLYLGAHCVGP-XYOKQWHBSA-N 0 0 297.335 3.967 50 30 CHEARN CC(C)SCc1cccc(NC(=O)N[C@H](C)CC#N)c1 ZINC000160944573 1126791150 /nfs/dbraw/zinc/79/11/50/1126791150.db2.gz HPKHJIHSAWDVGT-GFCCVEGCSA-N 0 0 291.420 3.752 50 30 CHEARN COc1ccc(/C=C2/CCOc3ccccc3C2=O)cc1 ZINC000170852154 1127659944 /nfs/dbraw/zinc/65/99/44/1127659944.db2.gz SCZXHSSASDTNOK-OWBHPGMISA-N 0 0 280.323 3.744 50 30 CHEARN CC(=CC(=O)c1ccc(Cl)cc1)NCc1ccco1 ZINC000105309671 1127914916 /nfs/dbraw/zinc/91/49/16/1127914916.db2.gz YVDQZZYUNNTALB-LUAWRHEFSA-N 0 0 275.735 3.809 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)o1 ZINC000012977805 1127946156 /nfs/dbraw/zinc/94/61/56/1127946156.db2.gz JGUWBBQWUUTRRF-CMDGGOBGSA-N 0 0 278.311 3.670 50 30 CHEARN CCc1ccc(/C=C2/COc3ccccc3C2=O)cc1 ZINC000033413015 1128521767 /nfs/dbraw/zinc/52/17/67/1128521767.db2.gz MLGBWUFXOWXUNS-PTNGSMBKSA-N 0 0 264.324 3.908 50 30 CHEARN Cc1ccc(C)c(/C=C\C(=O)c2ccc(O)cc2)c1 ZINC000033472152 1128533208 /nfs/dbraw/zinc/53/32/08/1128533208.db2.gz YVEPXIBUMIQDRR-YFHOEESVSA-N 0 0 252.313 3.905 50 30 CHEARN CN(C)c1ccc(/C=C/C(=O)[C@H]2C[C@H](CC#N)C2(C)C)cc1 ZINC000004478058 1117980905 /nfs/dbraw/zinc/98/09/05/1117980905.db2.gz MABQUJOTXRTTCV-LEJBJHNTSA-N 0 0 296.414 3.911 50 30 CHEARN N#Cc1ccc(N2CC[C@H](C(F)(F)F)C3(CCC3)C2)cn1 ZINC000242106211 1128793460 /nfs/dbraw/zinc/79/34/60/1128793460.db2.gz WHWWQBOCKKOLJX-ZDUSSCGKSA-N 0 0 295.308 3.512 50 30 CHEARN CC(N=NC(=N)SCc1ccccc1)C(C)(C)C ZINC000252635189 1128886812 /nfs/dbraw/zinc/88/68/12/1128886812.db2.gz WUUQPEQWWIDBNG-UHFFFAOYSA-N 0 0 263.410 3.657 50 30 CHEARN C=CCn1c(Cc2ccc(OCCC)cc2)n[nH]c1=S ZINC000002371670 1120267445 /nfs/dbraw/zinc/26/74/45/1120267445.db2.gz CQBZKMOFLHESDT-UHFFFAOYSA-N 0 0 289.404 3.506 50 30 CHEARN C[C@@]1(C#N)CCCN(Cc2[nH]c3ccccc3c2Cl)C1 ZINC000670449175 1121030170 /nfs/dbraw/zinc/03/01/70/1121030170.db2.gz HWOHCAOQSQYYSH-INIZCTEOSA-N 0 0 287.794 3.947 50 30 CHEARN COc1ccc(/C=C2/CCc3ccccc3C2=O)c(OC)c1 ZINC000033294305 1121034719 /nfs/dbraw/zinc/03/47/19/1121034719.db2.gz FJDDRTSHMRZSMG-PTNGSMBKSA-N 0 0 294.350 3.916 50 30 CHEARN CC(C)(C)c1ncc(/C=C2/OCc3ccccc3C2=O)cn1 ZINC000888099322 1121085730 /nfs/dbraw/zinc/08/57/30/1121085730.db2.gz HFSKQLUHMZFNJB-OVCLIPMQSA-N 0 0 294.354 3.528 50 30 CHEARN N#CCCN(Cc1ccco1)C(=O)CCCc1ccccc1 ZINC000069349638 1121177490 /nfs/dbraw/zinc/17/74/90/1121177490.db2.gz QCXCRLMNENEVEH-UHFFFAOYSA-N 0 0 296.370 3.545 50 30 CHEARN O=C(C=C1NC[C@@H](c2ccccc2)O1)c1ccc(Cl)cc1 ZINC000252506301 1121653570 /nfs/dbraw/zinc/65/35/70/1121653570.db2.gz VYSZAJKDBQTOGB-KFXAOSDLSA-N 0 0 299.757 3.725 50 30 CHEARN CCCCNC(=S)NN=C/C=C(\C)CCC=C(C)C ZINC000606347453 1121665322 /nfs/dbraw/zinc/66/53/22/1121665322.db2.gz LUJIFJJPECKBJK-DBNPOWKGSA-N 0 0 281.469 3.929 50 30 CHEARN C=C(C)CN(CC)C(=O)N[C@H](c1ncc(C)s1)C1CC1 ZINC000074703170 1124014066 /nfs/dbraw/zinc/01/40/66/1124014066.db2.gz AWJPBGZMASTOLF-ZDUSSCGKSA-N 0 0 293.436 3.510 50 30 CHEARN C=C(C)C[C@@H](C)C(=O)NCc1nsc2ccccc21 ZINC000585126617 1131319205 /nfs/dbraw/zinc/31/92/05/1131319205.db2.gz DEMMGYQHHDSGEX-LLVKDONJSA-N 0 0 274.389 3.515 50 30 CHEARN C=C(C)C[C@H](C)C(=O)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000585126907 1131320536 /nfs/dbraw/zinc/32/05/36/1131320536.db2.gz KXGOYPJTOUKQEB-HOCLYGCPSA-N 0 0 284.403 3.738 50 30 CHEARN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(SC)c1 ZINC000620302324 1125227058 /nfs/dbraw/zinc/22/70/58/1125227058.db2.gz YSGWVYLZJHLKOA-OKILXGFUSA-N 0 0 273.401 3.732 50 30 CHEARN CCCCCCCCCC[C@@H]1[NH2+][C@H](C(=O)[O-])CS1 ZINC000043382128 1125393588 /nfs/dbraw/zinc/39/35/88/1125393588.db2.gz LUMXFYRGPARGCA-QWHCGFSZSA-N 0 0 273.442 3.633 50 30 CHEARN COc1ccccc1/C=C\C(=O)c1cccc(NC(C)=O)c1 ZINC000096766882 1129551118 /nfs/dbraw/zinc/55/11/18/1129551118.db2.gz YKQGGHIDSLEPDU-KHPPLWFESA-N 0 0 295.338 3.550 50 30 CHEARN O=C(/C=C\c1ccc(-n2ccnc2)c(F)c1)c1ccccc1 ZINC000098004313 1129637334 /nfs/dbraw/zinc/63/73/34/1129637334.db2.gz GUUVAYSBUUCIRB-CLFYSBASSA-N 0 0 292.313 3.908 50 30 CHEARN CCOc1ccc(C=NNc2ccc(F)cc2F)c(O)c1 ZINC000254378620 1129690960 /nfs/dbraw/zinc/69/09/60/1129690960.db2.gz UYDSTCKSGUMAOD-UHFFFAOYSA-N 0 0 292.285 3.515 50 30 CHEARN O=[N+]([O-])c1ccc(N=Cc2ccccn2)c(C(F)(F)F)c1 ZINC000254521680 1129699958 /nfs/dbraw/zinc/69/99/58/1129699958.db2.gz FNGJBAOUXHLSAG-UHFFFAOYSA-N 0 0 295.220 3.759 50 30 CHEARN CCOc1ccc(C=NN2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000254793568 1129710815 /nfs/dbraw/zinc/71/08/15/1129710815.db2.gz RJGVCVSDSYAGKX-KBPBESRZSA-N 0 0 260.381 3.682 50 30 CHEARN C[C@@H]1CCC[C@@H](C)N1N=Cc1ccccc1OC(F)F ZINC000254841686 1129713389 /nfs/dbraw/zinc/71/33/89/1129713389.db2.gz SLCKKVHNXCAZQY-VXGBXAGGSA-N 0 0 282.334 3.885 50 30 CHEARN C[C@H]1CCC[C@H](C)N1N=Cc1ccccc1OC(F)F ZINC000254841682 1129713624 /nfs/dbraw/zinc/71/36/24/1129713624.db2.gz SLCKKVHNXCAZQY-RYUDHWBXSA-N 0 0 282.334 3.885 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(C)o2)c(OC)c1 ZINC000098002042 230389404 /nfs/dbraw/zinc/38/94/04/230389404.db2.gz UUBJJIKRXWYVEX-VURMDHGXSA-N 0 0 272.300 3.501 50 30 CHEARN COC(=O)c1ccc(/C=C\C(=O)c2ccccc2F)cc1 ZINC000096766538 185111952 /nfs/dbraw/zinc/11/19/52/185111952.db2.gz UXRMMVYRWSIYIN-FLIBITNWSA-N 0 0 284.286 3.508 50 30 CHEARN N#Cc1ccccc1/C=C\C(=O)Nc1cccc2ncccc21 ZINC000096930859 185131809 /nfs/dbraw/zinc/13/18/09/185131809.db2.gz DHVMFELIDFPZAI-KHPPLWFESA-N 0 0 299.333 3.758 50 30 CHEARN Cc1cccc2c1OCC/C(=C\c1cccc(C#N)c1)C2=O ZINC000096988720 185146255 /nfs/dbraw/zinc/14/62/55/185146255.db2.gz UQPGBLZZLOFADJ-LFIBNONCSA-N 0 0 289.334 3.916 50 30 CHEARN N#CC1(c2ccc(Br)c(Cl)c2)CC1 ZINC000085476785 179079553 /nfs/dbraw/zinc/07/95/53/179079553.db2.gz BGXVQYBQBYXGKL-UHFFFAOYSA-N 0 0 256.530 3.658 50 30 CHEARN C=CCN1c2ccccc2/C(=N/c2ccc(C)cc2)C1=O ZINC000100138260 185706284 /nfs/dbraw/zinc/70/62/84/185706284.db2.gz PNYGHLVNIMXRTQ-ZPHPHTNESA-N 0 0 276.339 3.648 50 30 CHEARN O=C(C=C1NC=Nc2ccccc21)c1cc2ccccc2o1 ZINC000105725416 186069729 /nfs/dbraw/zinc/06/97/29/186069729.db2.gz HRJWPRIKBWFVFK-XNTDXEJSSA-N 0 0 288.306 3.920 50 30 CHEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC=O)sc2C1 ZINC000000575965 169671948 /nfs/dbraw/zinc/67/19/48/169671948.db2.gz GAIFBJOQQVTTNQ-JTQLQIEISA-N 0 0 276.405 3.729 50 30 CHEARN N#Cc1sc2nc(-c3ccccc3)c3c(c2c1N)CCC3 ZINC000001384133 169697767 /nfs/dbraw/zinc/69/77/67/169697767.db2.gz VFGSHKNLLIJLDT-UHFFFAOYSA-N 0 0 291.379 3.906 50 30 CHEARN COc1cc(/C=N/O)ccc1OCc1ccc(Cl)cc1 ZINC000100250288 533482973 /nfs/dbraw/zinc/48/29/73/533482973.db2.gz GOJBOTXFJSHHLA-RQZCQDPDSA-N 0 0 291.734 3.736 50 30 CHEARN Cc1oc(-c2ccccc2)c(C(=O)N[C@H](C#N)C2CC2)c1C ZINC000189689765 130009059 /nfs/dbraw/zinc/00/90/59/130009059.db2.gz AJGGXDOCOIWFIP-OAHLLOKOSA-N 0 0 294.354 3.595 50 30 CHEARN N#Cc1c(Cl)nc(N2CCCCC2)c(Cl)c1Cl ZINC000019943273 134713051 /nfs/dbraw/zinc/71/30/51/134713051.db2.gz DOAHKOVGHRZDDY-UHFFFAOYSA-N 0 0 290.581 3.904 50 30 CHEARN Cc1cc(C)c2ncc(C#N)c(N3CC=C(C)CC3)c2c1 ZINC000089582707 135060147 /nfs/dbraw/zinc/06/01/47/135060147.db2.gz OFIGUVKAKQRZDV-UHFFFAOYSA-N 0 0 277.371 3.880 50 30 CHEARN Cc1ccccc1N(C=O)/C=C1\Sc2ccccc2C1=O ZINC000002419674 169791621 /nfs/dbraw/zinc/79/16/21/169791621.db2.gz CQFNKIHHASLVBU-YBEGLDIGSA-N 0 0 295.363 3.788 50 30 CHEARN COc1ccc(C(=O)C(Cl)=C(Cl)Cl)cc1 ZINC000003080736 169853804 /nfs/dbraw/zinc/85/38/04/169853804.db2.gz JQJFSUAMSSQDOI-UHFFFAOYSA-N 0 0 265.523 3.763 50 30 CHEARN N#Cc1ccc(CSc2nc3ccccc3o2)cc1 ZINC000003555948 169896955 /nfs/dbraw/zinc/89/69/55/169896955.db2.gz CETJKLXDCSXDJO-UHFFFAOYSA-N 0 0 266.325 3.992 50 30 CHEARN CCCC[C@H](CC)[C@H]1CC(=O)C=C(C)[C@@H]1C(=O)OCC ZINC000003881997 169919377 /nfs/dbraw/zinc/91/93/77/169919377.db2.gz VOMWEKBBFUHRJE-IMJJTQAJSA-N 0 0 280.408 3.917 50 30 CHEARN N#CC(C#N)[C@H](CC(=O)c1cccs1)c1ccccc1 ZINC000003898596 169922137 /nfs/dbraw/zinc/92/21/37/169922137.db2.gz YNOJQWPBNUHADO-CQSZACIVSA-N 0 0 280.352 3.768 50 30 CHEARN COc1ccc(/C=C/C(=O)c2c(OC)cccc2OC)cc1 ZINC000004252743 169949236 /nfs/dbraw/zinc/94/92/36/169949236.db2.gz TVSRYIMWKRTCEP-FMIVXFBMSA-N 0 0 298.338 3.609 50 30 CHEARN Cn1c(SCCCC#N)nnc1-c1ccc(Cl)cc1 ZINC000004287347 169953608 /nfs/dbraw/zinc/95/36/08/169953608.db2.gz QITVOJYDCKJTHZ-UHFFFAOYSA-N 0 0 292.795 3.531 50 30 CHEARN CC(N=Nc1nc(C(C)(C)C)cs1)c1ccccc1O ZINC000004588526 169987951 /nfs/dbraw/zinc/98/79/51/169987951.db2.gz KBLFJVHIVZOJRF-LICLKQGHSA-N 0 0 289.404 3.982 50 30 CHEARN C[C@H](CN=Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000004695827 170000137 /nfs/dbraw/zinc/00/01/37/170000137.db2.gz KPKLTYVCSMKXQN-PILJQMSFSA-N 0 0 269.304 3.796 50 30 CHEARN CC1=NN([C@@H](C#N)c2ccoc2)[C@H](c2ccccc2)C1 ZINC000004725053 170006264 /nfs/dbraw/zinc/00/62/64/170006264.db2.gz UCVAGGFEGLDZNG-HOTGVXAUSA-N 0 0 265.316 3.667 50 30 CHEARN CSc1sc(SC)c(/C=N\O)c1Br ZINC000004745321 170010518 /nfs/dbraw/zinc/01/05/18/170010518.db2.gz IXIHTIIDBKVDIE-OQFOIZHKSA-N 0 0 298.252 3.763 50 30 CHEARN O=C1c2ccccc2C/C1=C\c1ccc(F)c(F)c1 ZINC000004826567 170024533 /nfs/dbraw/zinc/02/45/33/170024533.db2.gz XJTYITRVRMWOSV-KPKJPENVSA-N 0 0 256.251 3.787 50 30 CHEARN Cc1sc2ncnc(N=NCc3cccs3)c2c1C ZINC000004866177 170032626 /nfs/dbraw/zinc/03/26/26/170032626.db2.gz ASKASIPSPQHLCS-OMCISZLKSA-N 0 0 288.401 3.816 50 30 CHEARN Cc1cc(C)nc(N=NCc2ccc(C(C)C)cc2)n1 ZINC000004871525 170034607 /nfs/dbraw/zinc/03/46/07/170034607.db2.gz ZDKNKRYOLDWDLU-LICLKQGHSA-N 0 0 268.364 3.663 50 30 CHEARN CCOC(=O)c1[nH]c(C)c(C(C)=NNc2ccccc2)c1C ZINC000004877851 170035876 /nfs/dbraw/zinc/03/58/76/170035876.db2.gz AVMTVTRNGPDQPW-CPNJWEJPSA-N 0 0 299.374 3.644 50 30 CHEARN CC(CCc1ccco1)N=Nc1ccc([N+](=O)[O-])cc1 ZINC000004990719 170050730 /nfs/dbraw/zinc/05/07/30/170050730.db2.gz YNSUFFNAUYJPTM-PTNGSMBKSA-N 0 0 273.292 3.608 50 30 CHEARN COc1cccc(C(=O)/C=C2\Sc3ccccc3N2C)c1 ZINC000004998854 170052584 /nfs/dbraw/zinc/05/25/84/170052584.db2.gz YUHNIFOSXXJDOM-BOPFTXTBSA-N 0 0 297.379 3.961 50 30 CHEARN COc1ccc(/C=C/C(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000005059693 170062382 /nfs/dbraw/zinc/06/23/82/170062382.db2.gz JYYFWGMDYJZUME-GQCTYLIASA-N 0 0 289.312 3.561 50 30 CHEARN CCOc1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000005073121 170064232 /nfs/dbraw/zinc/06/42/32/170064232.db2.gz AHBXSQONQVUHJD-FMIVXFBMSA-N 0 0 297.310 3.890 50 30 CHEARN COc1ccc(OC)c(/C=C/C(=O)c2ccc(F)cc2)c1 ZINC000005072993 170064459 /nfs/dbraw/zinc/06/44/59/170064459.db2.gz WNEXAQQSIRHLFE-WEVVVXLNSA-N 0 0 286.302 3.739 50 30 CHEARN N#Cc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1 ZINC000005127725 170068921 /nfs/dbraw/zinc/06/89/21/170068921.db2.gz QQQBXNLRAQMCPS-CSKARUKUSA-N 0 0 272.307 3.982 50 30 CHEARN COc1ccc(OC)c(C(=O)/C=C/c2ccc(F)cc2)c1 ZINC000005129399 170069102 /nfs/dbraw/zinc/06/91/02/170069102.db2.gz SECIINCKZHWTSO-WEVVVXLNSA-N 0 0 286.302 3.739 50 30 CHEARN CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1 ZINC000005217246 170076953 /nfs/dbraw/zinc/07/69/53/170076953.db2.gz QNVPXIXIIKJDKI-KPKJPENVSA-N 0 0 279.339 3.850 50 30 CHEARN Nc1ccc(NC2=CC(=O)C[C@@H](c3ccccc3)C2)cc1 ZINC000005224658 170077522 /nfs/dbraw/zinc/07/75/22/170077522.db2.gz YLFLJDSQDWIXTH-AWEZNQCLSA-N 0 0 278.355 3.711 50 30 CHEARN O=C(/C=C/c1cccs1)c1ccc(N2CCCC2=O)cc1 ZINC000005231526 170078052 /nfs/dbraw/zinc/07/80/52/170078052.db2.gz NWCUBNMXPGLVKB-MDZDMXLPSA-N 0 0 297.379 3.771 50 30 CHEARN Oc1ccc(Cl)cc1/C=N/Cc1ccccc1F ZINC000005289271 170083192 /nfs/dbraw/zinc/08/31/92/170083192.db2.gz SCNUNIOKLRYHTR-RQZCQDPDSA-N 0 0 263.699 3.804 50 30 CHEARN O=C(/C=C/c1ccccc1F)c1nc2ccccc2[nH]1 ZINC000005314636 170085288 /nfs/dbraw/zinc/08/52/88/170085288.db2.gz FVZXTGJIKWBOHR-MDZDMXLPSA-N 0 0 266.275 3.598 50 30 CHEARN CO/N=C/c1ccc(Sc2ccccc2Cl)nc1 ZINC000005353968 170089030 /nfs/dbraw/zinc/08/90/30/170089030.db2.gz MTSSCKHSGPTSLQ-CXUHLZMHSA-N 0 0 278.764 3.867 50 30 CHEARN C=CCNc1nc(SCC=C)nc2ccsc21 ZINC000005631262 170121969 /nfs/dbraw/zinc/12/19/69/170121969.db2.gz HQKDZYIVSFPCKJ-UHFFFAOYSA-N 0 0 263.391 3.567 50 30 CHEARN CC1=NC(=N)S/C1=N\Nc1cccc2ccccc21 ZINC000005811646 170142460 /nfs/dbraw/zinc/14/24/60/170142460.db2.gz PMXWWVPWYMZOBD-QAVXEVKCSA-N 0 0 268.345 3.708 50 30 CHEARN C=CCn1c(CSCc2ccc(F)cc2)n[nH]c1=S ZINC000005817015 170142993 /nfs/dbraw/zinc/14/29/93/170142993.db2.gz LZZWKIARADMZHK-UHFFFAOYSA-N 0 0 295.408 3.699 50 30 CHEARN CCCCc1ccc(-c2ccc(/C(N)=N/O)cc2)cc1 ZINC000005825398 170144449 /nfs/dbraw/zinc/14/44/49/170144449.db2.gz CJMFLZICXYZCJB-UHFFFAOYSA-N 0 0 268.360 3.791 50 30 CHEARN COc1cc(C#N)cc(Cl)c1OCc1ccc(F)cc1 ZINC000006126891 170178674 /nfs/dbraw/zinc/17/86/74/170178674.db2.gz HCEXYXNILGRUPF-UHFFFAOYSA-N 0 0 291.709 3.938 50 30 CHEARN N#Cc1ccccc1NC(=O)c1cc2c(s1)CCCC2 ZINC000006698720 170227758 /nfs/dbraw/zinc/22/77/58/170227758.db2.gz DZWZIBIRXMJBDX-UHFFFAOYSA-N 0 0 282.368 3.751 50 30 CHEARN C[C@H]1CCc2c(C(=O)Nc3ccccc3C#N)csc2C1 ZINC000006726347 170233417 /nfs/dbraw/zinc/23/34/17/170233417.db2.gz RZJAJTVJHPYPTN-NSHDSACASA-N 0 0 296.395 3.997 50 30 CHEARN C=CCOc1ccc(NC(=O)c2ccccc2OCC)cc1 ZINC000006746303 170239207 /nfs/dbraw/zinc/23/92/07/170239207.db2.gz XWDFQLXESRNVJV-UHFFFAOYSA-N 0 0 297.354 3.902 50 30 CHEARN Cc1nn(C)c(C)c1/C=C/C(=O)c1ccc(Cl)cc1 ZINC000006920987 170255231 /nfs/dbraw/zinc/25/52/31/170255231.db2.gz OVKGAHUEGSOKKJ-CMDGGOBGSA-N 0 0 274.751 3.586 50 30 CHEARN N#Cc1ccccc1COC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006942297 170257531 /nfs/dbraw/zinc/25/75/31/170257531.db2.gz ZLNHGEHHQVQPMF-UHFFFAOYSA-N 0 0 295.382 3.818 50 30 CHEARN O=C(/C=C/c1ccc(O)cc1)c1nc2ccccc2s1 ZINC000007335824 170277757 /nfs/dbraw/zinc/27/77/57/170277757.db2.gz VCLUMSARULASMI-JXMROGBWSA-N 0 0 281.336 3.898 50 30 CHEARN CCCOc1ccccc1OC(=O)c1cccc(C#N)c1 ZINC000007594656 170291826 /nfs/dbraw/zinc/29/18/26/170291826.db2.gz SAKTVQZCTWHIIK-UHFFFAOYSA-N 0 0 281.311 3.566 50 30 CHEARN O=C1c2ccccc2C/C1=C\c1cnn(-c2ccccc2)c1 ZINC000007905217 170306791 /nfs/dbraw/zinc/30/67/91/170306791.db2.gz VMWNRJPENQFAJG-MHWRWJLKSA-N 0 0 286.334 3.695 50 30 CHEARN N#CCOc1ccc(C(=O)/C=C/c2ccsc2)cc1 ZINC000008321700 170331030 /nfs/dbraw/zinc/33/10/30/170331030.db2.gz AZYDLBXWZSJKHG-LZCJLJQNSA-N 0 0 269.325 3.547 50 30 CHEARN CCCCNC(=S)NCc1ccc2c(cc(C)n2C)c1 ZINC000008685211 170345622 /nfs/dbraw/zinc/34/56/22/170345622.db2.gz QBKROBIXUFEEBY-UHFFFAOYSA-N 0 0 289.448 3.662 50 30 CHEARN Cc1cccc(NC(=S)NCc2ccncc2)c1C ZINC000008687695 170345788 /nfs/dbraw/zinc/34/57/88/170345788.db2.gz AJHHWVYYRJKSJW-UHFFFAOYSA-N 0 0 271.389 3.596 50 30 CHEARN C=CCN1C(=O)C(C)=C(C)[C@H]1c1c[nH]c2ccccc21 ZINC000009095116 170363476 /nfs/dbraw/zinc/36/34/76/170363476.db2.gz ZRXQXSNQPFNOKW-INIZCTEOSA-N 0 0 266.344 3.574 50 30 CHEARN C=CCN(C(=O)c1noc2c1C[C@@H](C)CC2)c1ccccc1 ZINC000009227045 170367741 /nfs/dbraw/zinc/36/77/41/170367741.db2.gz BBGOJMHELCCWRD-ZDUSSCGKSA-N 0 0 296.370 3.632 50 30 CHEARN C=CCOc1ccccc1NC(=O)c1ccc(OC)cc1 ZINC000009815066 170386167 /nfs/dbraw/zinc/38/61/67/170386167.db2.gz CRDMQKZEERLRSZ-UHFFFAOYSA-N 0 0 283.327 3.512 50 30 CHEARN C[C@H](NC(=O)/C=C/c1ccc(C#N)cc1)c1cccs1 ZINC000009836340 170386897 /nfs/dbraw/zinc/38/68/97/170386897.db2.gz QAQHBFCXFMJSMR-BCPZQOPPSA-N 0 0 282.368 3.510 50 30 CHEARN CC(C)Nc1nnc(SCc2cccc(C#N)c2)s1 ZINC000009911024 170389683 /nfs/dbraw/zinc/38/96/83/170389683.db2.gz NNSLMCPMGUEERS-UHFFFAOYSA-N 0 0 290.417 3.522 50 30 CHEARN N#Cc1ccc(OCc2coc(-c3ccccc3)n2)cc1 ZINC000010028357 170396022 /nfs/dbraw/zinc/39/60/22/170396022.db2.gz NAQVWYFLBXCLBX-UHFFFAOYSA-N 0 0 276.295 3.792 50 30 CHEARN C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)C1CC1 ZINC000010031389 170396124 /nfs/dbraw/zinc/39/61/24/170396124.db2.gz LROAIEJNVFCLMF-ZDUSSCGKSA-N 0 0 290.366 3.754 50 30 CHEARN O=C1C(=CNc2ccc3c(c2)OCO3)CCc2ccccc21 ZINC000012513234 170492873 /nfs/dbraw/zinc/49/28/73/170492873.db2.gz YTAIJWSDTLMCTL-JLHYYAGUSA-N 0 0 293.322 3.540 50 30 CHEARN O=C(Nc1ccccc1)O/N=C\c1ccccc1Cl ZINC000013113654 170532487 /nfs/dbraw/zinc/53/24/87/170532487.db2.gz HFMWTCUMCWUXMW-YBEGLDIGSA-N 0 0 274.707 3.923 50 30 CHEARN C[C@@H]1C[C@H](C)CN(c2oc(-c3ccc(F)cc3)nc2C#N)C1 ZINC000013646858 170572990 /nfs/dbraw/zinc/57/29/90/170572990.db2.gz YNFGTUCWIRQEKB-TXEJJXNPSA-N 0 0 299.349 3.835 50 30 CHEARN Cn1cc(/C=C/C(=O)CC23CC4CC(CC(C4)C2)C3)cn1 ZINC000013960071 170613272 /nfs/dbraw/zinc/61/32/72/170613272.db2.gz UPCRQADLSMKXAQ-NSCUHMNNSA-N 0 0 284.403 3.609 50 30 CHEARN CCCc1ccc(C(=O)Oc2ccc(C#N)c(F)c2)cc1 ZINC000019074707 170751729 /nfs/dbraw/zinc/75/17/29/170751729.db2.gz RDPCRVRASQOZBX-UHFFFAOYSA-N 0 0 283.302 3.869 50 30 CHEARN N#Cc1c(N)nc2c(c1-c1cccs1)CCCCC2 ZINC000019537122 170826666 /nfs/dbraw/zinc/82/66/66/170826666.db2.gz QEGCUTJXSOSSBD-UHFFFAOYSA-N 0 0 269.373 3.533 50 30 CHEARN CC(=O)c1cc(C#N)c(NCc2ccc(Cl)cc2)nc1C ZINC000020219172 171082556 /nfs/dbraw/zinc/08/25/56/171082556.db2.gz DHRUAPIDNGQQFP-UHFFFAOYSA-N 0 0 299.761 3.730 50 30 CHEARN Cc1cccc(N[C@@H](C)C(=O)Nc2sccc2C#N)c1C ZINC000028758463 171572931 /nfs/dbraw/zinc/57/29/31/171572931.db2.gz DHHRUIYMTDSBFC-LBPRGKRZSA-N 0 0 299.399 3.676 50 30 CHEARN N#Cc1cccc(OCc2nc3ccccc3n2C(F)F)c1 ZINC000032788821 171751269 /nfs/dbraw/zinc/75/12/69/171751269.db2.gz XTNWDVKZNVGNPM-UHFFFAOYSA-N 0 0 299.280 3.882 50 30 CHEARN Nc1ccc(C(=O)/C=C/c2cccc3[nH]ccc32)cc1 ZINC000034926313 171894497 /nfs/dbraw/zinc/89/44/97/171894497.db2.gz JINRQSOKLDBKHW-RMKNXTFCSA-N 0 0 262.312 3.646 50 30 CHEARN C=CCn1cnc2c(-c3ccc(C)cc3)csc2c1=O ZINC000035512133 172243061 /nfs/dbraw/zinc/24/30/61/172243061.db2.gz WLHDQMGGBBZSRC-UHFFFAOYSA-N 0 0 282.368 3.619 50 30 CHEARN N#Cc1c(Cl)nsc1-c1ccc(Cl)cc1 ZINC000036460530 172637085 /nfs/dbraw/zinc/63/70/85/172637085.db2.gz XQLJQRRNDITPRG-UHFFFAOYSA-N 0 0 255.129 3.989 50 30 CHEARN N#Cc1ccccc1CNc1ccc(F)c(Cl)c1 ZINC000040007920 174182598 /nfs/dbraw/zinc/18/25/98/174182598.db2.gz LUAGDDCTOYQEEY-UHFFFAOYSA-N 0 0 260.699 3.963 50 30 CHEARN CN(Cc1ccc2ccccc2c1)c1ccc(C#N)cn1 ZINC000040024847 174183542 /nfs/dbraw/zinc/18/35/42/174183542.db2.gz IPDAMCAALSPMKX-UHFFFAOYSA-N 0 0 273.339 3.743 50 30 CHEARN Cc1cc2cc(NC(=O)c3ccc(C#N)cc3)ccc2[nH]1 ZINC000040072708 174186744 /nfs/dbraw/zinc/18/67/44/174186744.db2.gz YLQIPJLVOYPRRY-UHFFFAOYSA-N 0 0 275.311 3.600 50 30 CHEARN N#CCOc1ccc(C(=O)/C=C/c2cc(F)ccc2F)cc1 ZINC000040139701 174193591 /nfs/dbraw/zinc/19/35/91/174193591.db2.gz OMFKFFBOWILOKR-FPYGCLRLSA-N 0 0 299.276 3.763 50 30 CHEARN CCc1cc(Oc2nnc(C)c(C)c2C#N)ccc1Cl ZINC000040217329 174205331 /nfs/dbraw/zinc/20/53/31/174205331.db2.gz BTXBXZZEHSRUAJ-UHFFFAOYSA-N 0 0 287.750 3.973 50 30 CHEARN C[C@H](CC#N)N1CCC(c2nc3ccccc3s2)CC1 ZINC000040554286 174330167 /nfs/dbraw/zinc/33/01/67/174330167.db2.gz PFQUHZNLPLDNNS-GFCCVEGCSA-N 0 0 285.416 3.778 50 30 CHEARN N#Cc1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000052859870 175539795 /nfs/dbraw/zinc/53/97/95/175539795.db2.gz HGBMZGVAQYVJGH-UHFFFAOYSA-N 0 0 274.663 3.912 50 30 CHEARN N#Cc1c(N)c(-c2ccccc2)sc1N1CCCCC1 ZINC000059100868 175630919 /nfs/dbraw/zinc/63/09/19/175630919.db2.gz LEXBZTXNHGWVOZ-UHFFFAOYSA-N 0 0 283.400 3.859 50 30 CHEARN CCc1c(C)sc(NC(=O)c2scnc2C)c1C#N ZINC000068677448 175813145 /nfs/dbraw/zinc/81/31/45/175813145.db2.gz YALBCPBCAOESOT-UHFFFAOYSA-N 0 0 291.401 3.508 50 30 CHEARN N#Cc1ccccc1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000071795752 176264720 /nfs/dbraw/zinc/26/47/20/176264720.db2.gz GYLVGAPYYLAQIK-PWSUYJOCSA-N 0 0 296.292 3.865 50 30 CHEARN N#Cc1cnc(Cl)c2cc(Br)sc21 ZINC000077011548 177146731 /nfs/dbraw/zinc/14/67/31/177146731.db2.gz KKLKBFNWWLKRCD-UHFFFAOYSA-N 0 0 273.542 3.584 50 30 CHEARN CC(C)CC(=O)Nc1ccccc1SCCC#N ZINC000078568817 177355287 /nfs/dbraw/zinc/35/52/87/177355287.db2.gz ARJRDZJGRLKLPY-UHFFFAOYSA-N 0 0 262.378 3.677 50 30 CHEARN Cc1ncsc1/C=C/C(=O)c1c(C)nn(C(C)C)c1C ZINC000078694000 177372681 /nfs/dbraw/zinc/37/26/81/177372681.db2.gz QLEFVSNTMIMKPC-VOTSOKGWSA-N 0 0 289.404 3.742 50 30 CHEARN Cc1oc(C#N)cc1C(=O)N1CCCc2ccc(C)c(C)c21 ZINC000332068473 228145957 /nfs/dbraw/zinc/14/59/57/228145957.db2.gz UJXUUSKUEREVSF-UHFFFAOYSA-N 0 0 294.354 3.670 50 30 CHEARN CS/C(=C\C(=O)c1cccs1)NCc1ccccc1 ZINC000013466553 260071333 /nfs/dbraw/zinc/07/13/33/260071333.db2.gz UQEBTTYOEXSBMI-GDNBJRDFSA-N 0 0 289.425 3.925 50 30 CHEARN Cc1[nH]c2ccccc2c1[C@H](c1cccnc1)C(C#N)C#N ZINC000091690029 260482301 /nfs/dbraw/zinc/48/23/01/260482301.db2.gz FSMNYFMRBCVECW-GOSISDBHSA-N 0 0 286.338 3.667 50 30 CHEARN C[C@H]1CCC2=C(C3(CC2)SCCS3)[C@]1(C)C=O ZINC000045071872 328754594 /nfs/dbraw/zinc/75/45/94/328754594.db2.gz GKTSPAHUOPQXLZ-GXFFZTMASA-N 0 0 268.447 3.888 50 30 CHEARN CC1(C)[C@H]2CC[C@]13O[C@H]3C[C@H]1CCCC[C@H]1C(=O)C2 ZINC000071786503 328754973 /nfs/dbraw/zinc/75/49/73/328754973.db2.gz RIWWPTPGOLXNKF-JINKPPJBSA-N 0 0 262.393 3.730 50 30 CHEARN C#Cc1cccc(NC(=O)/C=C\c2cccc(C)c2)c1 ZINC000096404445 330438680 /nfs/dbraw/zinc/43/86/80/330438680.db2.gz GXYPFXGQSPPPLH-KHPPLWFESA-N 0 0 261.324 3.628 50 30 CHEARN C#CCCCCCCCCC(=O)NCc1ccco1 ZINC000003616990 518247734 /nfs/dbraw/zinc/24/77/34/518247734.db2.gz KAMUEWFRROTBEQ-UHFFFAOYSA-N 0 0 261.365 3.650 50 30 CHEARN C#Cc1cccc(NC(=O)COc2cccc(C(C)C)c2)c1 ZINC000032831027 518363503 /nfs/dbraw/zinc/36/35/03/518363503.db2.gz NMOGCKVSYMHZIT-UHFFFAOYSA-N 0 0 293.366 3.809 50 30 CHEARN C=CCCC(=O)N1CCC[C@@H](CCc2ccccc2)C1 ZINC000012577206 518691833 /nfs/dbraw/zinc/69/18/33/518691833.db2.gz XXTICMPRXVARME-KRWDZBQOSA-N 0 0 271.404 3.824 50 30 CHEARN C=CCN(CC=C)C(=O)c1nc(-c2ccco2)sc1C ZINC000069323482 518768146 /nfs/dbraw/zinc/76/81/46/518768146.db2.gz UOVURXAGGZWXKE-UHFFFAOYSA-N 0 0 288.372 3.526 50 30 CHEARN C=CCN(Cc1ccccc1C)C(=O)c1cccc(O)c1 ZINC000055344298 518785573 /nfs/dbraw/zinc/78/55/73/518785573.db2.gz FHTIAZYFBJQLEV-UHFFFAOYSA-N 0 0 281.355 3.529 50 30 CHEARN C=CCS[C@@H](C)c1nnc(CCc2ccccc2)[nH]1 ZINC000067675299 519077601 /nfs/dbraw/zinc/07/76/01/519077601.db2.gz YXQOSDIMTYAYRK-LBPRGKRZSA-N 0 0 273.405 3.570 50 30 CHEARN C=CCSc1ncccc1C(=O)NCc1ccc(C)cc1 ZINC000003045930 519083649 /nfs/dbraw/zinc/08/36/49/519083649.db2.gz HSXRKKZVOWTXQQ-UHFFFAOYSA-N 0 0 298.411 3.598 50 30 CHEARN CCCCCCCCn1c2ccccc2nc1CO ZINC000050704858 520051774 /nfs/dbraw/zinc/05/17/74/520051774.db2.gz KRKNGUJCQSTLML-UHFFFAOYSA-N 0 0 260.381 3.889 50 30 CHEARN CC/C=C(\C)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000055570037 520193232 /nfs/dbraw/zinc/19/32/32/520193232.db2.gz JSPAOCHMGGLCRQ-NTUHNPAUSA-N 0 0 272.348 3.664 50 30 CHEARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(C#N)cc1 ZINC000013015849 526054912 /nfs/dbraw/zinc/05/49/12/526054912.db2.gz JGSQGURKSORDLE-LBPRGKRZSA-N 0 0 282.318 3.531 50 30 CHEARN C=CCOc1ccc(CN(C)C(=O)Nc2ccccc2)cc1 ZINC000008919002 526861467 /nfs/dbraw/zinc/86/14/67/526861467.db2.gz UWJRQYBOFREQCO-UHFFFAOYSA-N 0 0 296.370 3.915 50 30 CHEARN C=CC[C@@H](NCc1ccco1)c1ccc(OC)cc1OC ZINC000000250556 527112308 /nfs/dbraw/zinc/11/23/08/527112308.db2.gz FHLRGWXVDDMYIT-MRXNPFEDSA-N 0 0 287.359 3.704 50 30 CHEARN CC(C)CCN(CCC#N)C(=O)c1ccc2[nH]ccc2c1 ZINC000107593664 527713888 /nfs/dbraw/zinc/71/38/88/527713888.db2.gz UMGJRUIXKQAYAJ-UHFFFAOYSA-N 0 0 283.375 3.570 50 30 CHEARN CCCCCCCCNC(=O)c1ccc(OC)cc1OC ZINC000097941781 528129716 /nfs/dbraw/zinc/12/97/16/528129716.db2.gz WCUILRNXIOTZRM-UHFFFAOYSA-N 0 0 293.407 3.794 50 30 CHEARN Cc1cc(C)c(C#N)c(Nc2cccc(C)c2C)n1 ZINC000000411812 567930236 /nfs/dbraw/zinc/93/02/36/567930236.db2.gz GAZIRJJBLIBFSV-UHFFFAOYSA-N 0 0 251.333 3.931 50 30 CHEARN C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C ZINC000253637078 566831387 /nfs/dbraw/zinc/83/13/87/566831387.db2.gz YOWOBPTVMDFSMZ-YRPNKDGESA-N 0 0 296.410 3.557 50 30 CHEARN Cc1sc(NC(=O)c2cccs2)c(C#N)c1C ZINC000000994522 566834710 /nfs/dbraw/zinc/83/47/10/566834710.db2.gz PJZFVSVWPQATEF-UHFFFAOYSA-N 0 0 262.359 3.550 50 30 CHEARN N#Cc1c(=O)c2sc3cc(F)ccc3c2n2ccccc12 ZINC000001270226 566860919 /nfs/dbraw/zinc/86/09/19/566860919.db2.gz HTUANXVBYVQOKU-UHFFFAOYSA-N 0 0 294.310 3.678 50 30 CHEARN CCCCOc1ccc(OCCCC)c(C#N)c1C#N ZINC000002504734 566861066 /nfs/dbraw/zinc/86/10/66/566861066.db2.gz RJFAMAFEWDBSLX-UHFFFAOYSA-N 0 0 272.348 3.788 50 30 CHEARN Cc1nc2c(c(-c3ccco3)c1C#N)C(=O)c1ccccc1-2 ZINC000001390322 566868798 /nfs/dbraw/zinc/86/87/98/566868798.db2.gz TTXAEIKXGRCLKC-UHFFFAOYSA-N 0 0 286.290 3.733 50 30 CHEARN COc1nccc(-c2cccc(C(F)(F)F)c2)c1C#N ZINC000001403511 566871337 /nfs/dbraw/zinc/87/13/37/566871337.db2.gz OQDNCWKTKZEPHP-UHFFFAOYSA-N 0 0 278.233 3.648 50 30 CHEARN N#Cc1c(SCc2ccccc2)nc2sccn12 ZINC000001400667 566872252 /nfs/dbraw/zinc/87/22/52/566872252.db2.gz YBSHODVVRCYYGV-UHFFFAOYSA-N 0 0 271.370 3.560 50 30 CHEARN N#Cc1cccnc1NCc1cccc(C(F)(F)F)c1 ZINC000019429057 566885504 /nfs/dbraw/zinc/88/55/04/566885504.db2.gz HEHFGQUECUPNTR-UHFFFAOYSA-N 0 0 277.249 3.584 50 30 CHEARN C=CCNC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000004505389 566888865 /nfs/dbraw/zinc/88/88/65/566888865.db2.gz RCCJHDMJKGGLIR-UHFFFAOYSA-N 0 0 297.141 3.564 50 30 CHEARN N#Cc1nc(C(F)(F)F)ccc1-c1ccc(F)cc1 ZINC000047206360 566889278 /nfs/dbraw/zinc/88/92/78/566889278.db2.gz PIUBCJVOXOIZCI-UHFFFAOYSA-N 0 0 266.197 3.778 50 30 CHEARN N#Cc1ccc(C(F)(F)F)nc1-c1cccc(F)c1 ZINC000047203959 566889946 /nfs/dbraw/zinc/88/99/46/566889946.db2.gz WOSBXZNNGXZWJL-UHFFFAOYSA-N 0 0 266.197 3.778 50 30 CHEARN O=C(Nc1ccccc1)c1ccc(C#Cc2ccccc2)o1 ZINC000000170552 566896243 /nfs/dbraw/zinc/89/62/43/566896243.db2.gz COUPYOGKKIZPGX-UHFFFAOYSA-N 0 0 287.318 3.932 50 30 CHEARN C=CCNC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000016180998 566897988 /nfs/dbraw/zinc/89/79/88/566897988.db2.gz LAPHKCJAAORRKK-UHFFFAOYSA-N 0 0 271.291 3.534 50 30 CHEARN C=CCN(CC=C)C(=O)Nc1ccc(Br)cc1 ZINC000000396601 566898772 /nfs/dbraw/zinc/89/87/72/566898772.db2.gz ULAYXZDXIFGMQM-UHFFFAOYSA-N 0 0 295.180 3.655 50 30 CHEARN CCCCCCCC(=O)NCc1ccc(OC)c(OC)c1 ZINC000100661805 566916739 /nfs/dbraw/zinc/91/67/39/566916739.db2.gz PDNJQJUFMCECTJ-UHFFFAOYSA-N 0 0 293.407 3.681 50 30 CHEARN CC(C)(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(C#N)cc1 ZINC000049545474 566925643 /nfs/dbraw/zinc/92/56/43/566925643.db2.gz AOBLBNSLIANMDZ-ZDUSSCGKSA-N 0 0 294.358 3.633 50 30 CHEARN C=C(C)CN(c1cnn(C)c1)[C@@H](C)c1cccc(OC)c1 ZINC000075094047 566936288 /nfs/dbraw/zinc/93/62/88/566936288.db2.gz YAZKJWLRZYLLNR-AWEZNQCLSA-N 0 0 285.391 3.572 50 30 CHEARN N#Cc1c2nc3ccccc3cc2cnc1N1CCCCC1 ZINC000019535350 566938348 /nfs/dbraw/zinc/93/83/48/566938348.db2.gz QCTHFXUJJLLCMS-UHFFFAOYSA-N 0 0 288.354 3.645 50 30 CHEARN COc1ccc2c(c1)C(=O)/C(=C\c1ccccc1Cl)O2 ZINC000075260576 566941072 /nfs/dbraw/zinc/94/10/72/566941072.db2.gz BMDZENNMGSWEOT-OVCLIPMQSA-N 0 0 286.714 3.965 50 30 CHEARN C#CC[C@@]1(O)c2ccccc2CSc2ccccc21 ZINC000006261682 566948351 /nfs/dbraw/zinc/94/83/51/566948351.db2.gz QQBLSYBHBIISCD-QGZVFWFLSA-N 0 0 266.365 3.552 50 30 CHEARN N#Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccccc1)N2 ZINC000104291469 566960411 /nfs/dbraw/zinc/96/04/11/566960411.db2.gz OJBHROLRSPCVNR-FHLIZLRMSA-N 0 0 276.339 3.803 50 30 CHEARN O=C1c2ccccc2S/C1=C\c1ccccc1[N+](=O)[O-] ZINC000016449014 566960485 /nfs/dbraw/zinc/96/04/85/566960485.db2.gz CXKLLLPQMSFRKN-ZROIWOOFSA-N 0 0 283.308 3.924 50 30 CHEARN COc1cccc2c1ncc(C#N)c2Nc1cccc(F)c1 ZINC000064438727 566976630 /nfs/dbraw/zinc/97/66/30/566976630.db2.gz ANGDUMGVWPXJPC-UHFFFAOYSA-N 0 0 293.301 3.998 50 30 CHEARN N#C[C@H]1CCCN(C(=O)c2ccc(-c3cccs3)cc2)C1 ZINC000426438939 566988426 /nfs/dbraw/zinc/98/84/26/566988426.db2.gz UHNDXKBWSRAHML-CYBMUJFWSA-N 0 0 296.395 3.791 50 30 CHEARN CN(Cc1cccnc1)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000036771613 567005748 /nfs/dbraw/zinc/00/57/48/567005748.db2.gz AOYULHVCERCLOV-UHFFFAOYSA-N 0 0 291.276 3.608 50 30 CHEARN N#C[C@@H](CC1CC1)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000170595810 567012570 /nfs/dbraw/zinc/01/25/70/567012570.db2.gz NNJSPGMVUDDDKI-GFCCVEGCSA-N 0 0 295.342 3.584 50 30 CHEARN N#Cc1cccc(/C=C/C(=O)c2ccccc2F)c1 ZINC000014175859 567022783 /nfs/dbraw/zinc/02/27/83/567022783.db2.gz DIXFYJOPYWMLTK-CMDGGOBGSA-N 0 0 251.260 3.593 50 30 CHEARN N#Cc1nc(/C=C/c2ccccc2)oc1N1CCCCC1 ZINC000016807458 567025996 /nfs/dbraw/zinc/02/59/96/567025996.db2.gz VBXSASVVGGLGNJ-MDZDMXLPSA-N 0 0 279.343 3.707 50 30 CHEARN C=CCCc1csc(-c2cccc(-c3nnc(N)o3)c2)n1 ZINC000090065537 567032091 /nfs/dbraw/zinc/03/20/91/567032091.db2.gz AAXDSCBYKPHTGE-UHFFFAOYSA-N 0 0 298.371 3.561 50 30 CHEARN O=[N+]([O-])c1ccc(C=Nc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000252462189 567051401 /nfs/dbraw/zinc/05/14/01/567051401.db2.gz QMQPMNLTXZMAHI-UHFFFAOYSA-N 0 0 295.638 3.500 50 30 CHEARN CC(=O)c1cccc(N=Cc2ccc([N+](=O)[O-])s2)c1 ZINC000252460476 567051475 /nfs/dbraw/zinc/05/14/75/567051475.db2.gz FSJQOQXXKBMRBY-UHFFFAOYSA-N 0 0 274.301 3.610 50 30 CHEARN COc1ccc(C=Nc2oc(C)c(C)c2C#N)c(OC)c1 ZINC000252462130 567052134 /nfs/dbraw/zinc/05/21/34/567052134.db2.gz QBCUKMZGRDUXQT-UHFFFAOYSA-N 0 0 284.315 3.536 50 30 CHEARN Cc1ccc([N+](=O)[O-])cc1N=Cc1cccc([N+](=O)[O-])c1 ZINC000252462882 567052150 /nfs/dbraw/zinc/05/21/50/567052150.db2.gz XAPLJGILHAMKAX-UHFFFAOYSA-N 0 0 285.259 3.562 50 30 CHEARN O=[N+]([O-])c1ccccc1N=NCc1c[nH]c2ccccc12 ZINC000252461027 567052528 /nfs/dbraw/zinc/05/25/28/567052528.db2.gz JZUFKEQJFQIJPR-UHFFFAOYSA-N 0 0 280.287 3.522 50 30 CHEARN C=CCN(CC=C)C(=O)Nc1ccc(Cl)cc1 ZINC000000395088 567054840 /nfs/dbraw/zinc/05/48/40/567054840.db2.gz VYCAHPBJVVVEBW-UHFFFAOYSA-N 0 0 250.729 3.546 50 30 CHEARN CC(=O)C1=Cc2ccc(OCc3ccccc3)cc2OC1 ZINC000202923063 567060133 /nfs/dbraw/zinc/06/01/33/567060133.db2.gz NYOILBSVNPGFPX-UHFFFAOYSA-N 0 0 280.323 3.630 50 30 CHEARN CCCc1cc(=O)[nH]c(C(=Cc2ccc(C#N)cc2)CC)n1 ZINC000193618691 567060988 /nfs/dbraw/zinc/06/09/88/567060988.db2.gz WJIFLRVWGBSCGF-GDNBJRDFSA-N 0 0 293.370 3.545 50 30 CHEARN Cc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000002167919 567062704 /nfs/dbraw/zinc/06/27/04/567062704.db2.gz SXMXFLHIVRNIJC-VOTSOKGWSA-N 0 0 264.284 3.945 50 30 CHEARN O=[N+]([O-])c1ccc(N=Cc2c[nH]c3ccccc23)cc1 ZINC000252607511 567066001 /nfs/dbraw/zinc/06/60/01/567066001.db2.gz HCEQQBGGYWDSEA-UHFFFAOYSA-N 0 0 265.272 3.827 50 30 CHEARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CCC2=NN ZINC000252606876 567066210 /nfs/dbraw/zinc/06/62/10/567066210.db2.gz GWWXKVVUGDVQGO-HPFXQQBRSA-N 0 0 284.403 3.563 50 30 CHEARN N#Cc1ccccc1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000252621012 567067976 /nfs/dbraw/zinc/06/79/76/567067976.db2.gz MQZKQAUTFRFIEF-UHFFFAOYSA-N 0 0 285.690 3.870 50 30 CHEARN CC(=NOC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000252630031 567070065 /nfs/dbraw/zinc/07/00/65/567070065.db2.gz USZMRMOXPZKKKA-IRXDYDNUSA-N 0 0 279.339 3.758 50 30 CHEARN CC1(C)[C@H]2CC[C@]1(C)C(=NOC(=O)c1ccco1)C2 ZINC000252633153 567070925 /nfs/dbraw/zinc/07/09/25/567070925.db2.gz WALGUWXUWFIBGI-ZUZCIYMTSA-N 0 0 261.321 3.639 50 30 CHEARN Cc1nc(C)c(C#N)c(SCc2ccc(Cl)cc2)n1 ZINC000025959345 567088151 /nfs/dbraw/zinc/08/81/51/567088151.db2.gz PCWTXQTZJSMDIO-UHFFFAOYSA-N 0 0 289.791 3.911 50 30 CHEARN N#Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000000555472 567106365 /nfs/dbraw/zinc/10/63/65/567106365.db2.gz RHGBBFJGYYKFAH-UHFFFAOYSA-N 0 0 250.276 3.700 50 30 CHEARN C#CCC[C@@H](CC)OC(=O)C[C@@H](C)c1ccccc1OC ZINC000079111814 567121986 /nfs/dbraw/zinc/12/19/86/567121986.db2.gz CESXXTCMKNIMRV-HUUCEWRRSA-N 0 0 288.387 3.924 50 30 CHEARN N#C[C@@H](c1ccccc1O)N1CCCC[C@@H]1c1cccnc1 ZINC000020112725 567125299 /nfs/dbraw/zinc/12/52/99/567125299.db2.gz IDQFGKVZIKXFRS-SJORKVTESA-N 0 0 293.370 3.579 50 30 biogenic CHEARN CC(C)n1ncnc1CSc1ccc(C#N)cc1Cl ZINC000278824027 567126674 /nfs/dbraw/zinc/12/66/74/567126674.db2.gz YDZQHYNXGFZJQO-UHFFFAOYSA-N 0 0 292.795 3.676 50 30 CHEARN N#Cc1ccc(NCc2cc(Cl)ccc2O)cc1 ZINC000019951298 567126910 /nfs/dbraw/zinc/12/69/10/567126910.db2.gz KQPXLGTUFGSOIQ-UHFFFAOYSA-N 0 0 258.708 3.529 50 30 CHEARN CC(C)(C#N)CCCSCc1nc(C(C)(C)C)no1 ZINC000095967179 567136493 /nfs/dbraw/zinc/13/64/93/567136493.db2.gz HFJNWIIUXQRZQL-UHFFFAOYSA-N 0 0 281.425 3.930 50 30 CHEARN CC[C@H](C)Nc1oc(-c2cccc(F)c2)nc1C#N ZINC000096346103 567141097 /nfs/dbraw/zinc/14/10/97/567141097.db2.gz JIWXRFWNUPIKJN-VIFPVBQESA-N 0 0 259.284 3.563 50 30 CHEARN N#Cc1cccc2c(-c3ccc4c(c3)CCCC4)n[nH]c21 ZINC000096361317 567141806 /nfs/dbraw/zinc/14/18/06/567141806.db2.gz LINGOPQHELDLIA-UHFFFAOYSA-N 0 0 273.339 3.980 50 30 CHEARN CCCC[C@@H](CC)CC(=O)[C@H](C#N)c1nc(C)cc(C)n1 ZINC000096409742 567142400 /nfs/dbraw/zinc/14/24/00/567142400.db2.gz QONVWUAJIGXNQZ-CABCVRRESA-N 0 0 287.407 3.876 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc2cccnc21 ZINC000002543558 567148193 /nfs/dbraw/zinc/14/81/93/567148193.db2.gz PQJTWTDCTFSLBT-UHFFFAOYSA-N 0 0 291.266 3.807 50 30 CHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)c1cccc(Cl)c1 ZINC000002655954 567150875 /nfs/dbraw/zinc/15/08/75/567150875.db2.gz LAIOETRVCRADFC-LLVKDONJSA-N 0 0 285.730 3.862 50 30 CHEARN Cc1ccc(/C=C/C(=O)Nc2sc(C)c(C)c2C#N)o1 ZINC000002749852 567153700 /nfs/dbraw/zinc/15/37/00/567153700.db2.gz OSRKWWLDLUMZBO-VOTSOKGWSA-N 0 0 286.356 3.790 50 30 CHEARN COc1cc(C#N)cc(Cl)c1OCCc1ccccc1 ZINC000002876440 567153781 /nfs/dbraw/zinc/15/37/81/567153781.db2.gz VNGHWZOCPOHQAM-UHFFFAOYSA-N 0 0 287.746 3.842 50 30 CHEARN C[C@@H](CCc1ccccc1)/N=C/c1ccccc1O ZINC000057411834 567155990 /nfs/dbraw/zinc/15/59/90/567155990.db2.gz VCYKLZPEKINGBD-RAOBZKRQSA-N 0 0 253.345 3.832 50 30 CHEARN N#Cc1ccc(COC(=O)c2ccc(F)cc2Cl)cc1 ZINC000003269276 567165473 /nfs/dbraw/zinc/16/54/73/567165473.db2.gz LRPXYNGUWAELOQ-UHFFFAOYSA-N 0 0 289.693 3.708 50 30 CHEARN CCCCNC(=S)N(c1ccccc1)C(C)C ZINC000003272657 567165605 /nfs/dbraw/zinc/16/56/05/567165605.db2.gz NDSGNOUXQLRRJA-UHFFFAOYSA-N 0 0 250.411 3.987 50 30 CHEARN N#CCCN(C(=O)C1CCCCC1)c1ccccc1F ZINC000003287467 567168598 /nfs/dbraw/zinc/16/85/98/567168598.db2.gz AFIYIYLHDARIEC-UHFFFAOYSA-N 0 0 274.339 3.653 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccc(C)cc2)c(OC)c1 ZINC000003997925 567182987 /nfs/dbraw/zinc/18/29/87/567182987.db2.gz RQNVFNZPTFAPJZ-DHZHZOJOSA-N 0 0 282.339 3.908 50 30 biogenic CHEARN COc1cccc(/N=C/c2cc(Cl)ccc2O)c1 ZINC000004113502 567187405 /nfs/dbraw/zinc/18/74/05/567187405.db2.gz KVODPSWVCAVADT-CXUHLZMHSA-N 0 0 261.708 3.805 50 30 CHEARN N#Cc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000004176913 567189011 /nfs/dbraw/zinc/18/90/11/567189011.db2.gz OLVLDDNRDKFSJD-UHFFFAOYSA-N 0 0 290.244 3.829 50 30 CHEARN Oc1ccccc1/N=C/c1ccc(Br)s1 ZINC000004178254 567189514 /nfs/dbraw/zinc/18/95/14/567189514.db2.gz CFXHLQHDZJLYDX-NTUHNPAUSA-N 0 0 282.162 3.967 50 30 CHEARN CN(C)/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004315896 567195585 /nfs/dbraw/zinc/19/55/85/567195585.db2.gz GUGKHMMOCCHMNS-WOJGMQOQSA-N 0 0 276.424 3.883 50 30 CHEARN C[C@@H]1CC(C)(C)C[C@]1(C#N)Nc1ccc(CC#N)cc1 ZINC000000094644 567817965 /nfs/dbraw/zinc/81/79/65/567817965.db2.gz OQSYYHSHARAGET-CXAGYDPISA-N 0 0 267.376 3.883 50 30 CHEARN O=C(/C=C/Sc1ccccn1)c1ccc(F)cc1 ZINC000000174393 567821351 /nfs/dbraw/zinc/82/13/51/567821351.db2.gz KJZHAVRBIFMKDI-CSKARUKUSA-N 0 0 259.305 3.709 50 30 CHEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)c(OC)c1 ZINC000000214611 567822374 /nfs/dbraw/zinc/82/23/74/567822374.db2.gz FJDDRTSHMRZSMG-RVDMUPIBSA-N 0 0 294.350 3.916 50 30 CHEARN CC1(C)CC(=O)C(=CNc2ccc(Cl)cc2)C(=O)C1 ZINC000000260240 567823408 /nfs/dbraw/zinc/82/34/08/567823408.db2.gz BJLPOPUHHSFHDD-UHFFFAOYSA-N 0 0 277.751 3.594 50 30 CHEARN O=C(Nc1ccc(Cl)cc1)ON=C1CCCC1 ZINC000000289204 567823943 /nfs/dbraw/zinc/82/39/43/567823943.db2.gz XNARUPPBFLWGSI-UHFFFAOYSA-N 0 0 252.701 3.819 50 30 CHEARN C(=N/N=C1c2ccccc2-c2ccccc21)\c1ccncc1 ZINC000000312017 567824992 /nfs/dbraw/zinc/82/49/92/567824992.db2.gz YFEDYVFRMJVHIP-FYJGNVAPSA-N 0 0 283.334 3.934 50 30 CHEARN CO[C@]1(C)C(C)(C)[C@@H](c2ccc(Cl)cc2)C1(C#N)C#N ZINC000000340744 567826111 /nfs/dbraw/zinc/82/61/11/567826111.db2.gz FNOZGXLMDPALNO-UKRRQHHQSA-N 0 0 288.778 3.902 50 30 CHEARN O=C1ON=C(c2ccccc2)/C1=C\C=C\c1ccccc1 ZINC000000445928 567830776 /nfs/dbraw/zinc/83/07/76/567830776.db2.gz CBJRQTXYKQLWTN-NJKRNUQASA-N 0 0 275.307 3.587 50 30 CHEARN O=C1C=C2c3ccccc3C[C@H]2[C@@H](c2ccccc2)C1 ZINC000001017372 567835730 /nfs/dbraw/zinc/83/57/30/567835730.db2.gz RWUGLYBNPDTXKJ-MSOLQXFVSA-N 0 0 260.336 3.999 50 30 CHEARN O=C1C=C2c3ccccc3C[C@@H]2[C@@H](c2ccccc2)C1 ZINC000001017370 567835852 /nfs/dbraw/zinc/83/58/52/567835852.db2.gz RWUGLYBNPDTXKJ-QZTJIDSGSA-N 0 0 260.336 3.999 50 30 CHEARN C[S@](=N)(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000100216393 567839917 /nfs/dbraw/zinc/83/99/17/567839917.db2.gz DFZZDATYDOFVGL-FQEVSTJZSA-N 0 0 290.319 3.525 50 30 CHEARN N#CCOc1cc(Sc2ccccc2)ccc1[N+](=O)[O-] ZINC000002162913 567844684 /nfs/dbraw/zinc/84/46/84/567844684.db2.gz WCJUKLVFXSOLCZ-UHFFFAOYSA-N 0 0 286.312 3.648 50 30 CHEARN CCCCCCCNC(=S)Nc1ccccc1 ZINC000002169699 567845242 /nfs/dbraw/zinc/84/52/42/567845242.db2.gz KDENPZDEEVSRQR-UHFFFAOYSA-N 0 0 250.411 3.943 50 30 CHEARN Cc1cc(C)c2nc(SCCC#N)nc(C)c2c1 ZINC000002288312 567845619 /nfs/dbraw/zinc/84/56/19/567845619.db2.gz GKRIVSNRCPVCKJ-UHFFFAOYSA-N 0 0 257.362 3.561 50 30 CHEARN O=C(C1=C(O)C(=Cc2ccccc2)CCC1)C(F)(F)F ZINC000002528709 567847865 /nfs/dbraw/zinc/84/78/65/567847865.db2.gz SGWBMTTZEOAUDY-LMMOQWNQSA-N 0 0 282.261 3.571 50 30 CHEARN N#CCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002579794 567848375 /nfs/dbraw/zinc/84/83/75/567848375.db2.gz GFZFAQOKWZGMQL-UHFFFAOYSA-N 0 0 281.155 3.821 50 30 CHEARN O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C=C1 ZINC000003874879 567854371 /nfs/dbraw/zinc/85/43/71/567854371.db2.gz FYEHYMARPSSOBO-UHFFFAOYSA-N 0 0 290.318 3.595 50 30 in-vitro CHEARN C(=NN=c1[nH]c2ccccc2s1)c1c[nH]c2ccccc12 ZINC000003909721 567854634 /nfs/dbraw/zinc/85/46/34/567854634.db2.gz XJFLTNDKFGTCIO-VCHYOVAHSA-N 0 0 292.367 3.646 50 30 CHEARN Cc1ccc([C@H](C#N)CC(=O)c2ccc(F)cc2)o1 ZINC000004108775 567855471 /nfs/dbraw/zinc/85/54/71/567855471.db2.gz FDDNCNRLXDQFSB-LBPRGKRZSA-N 0 0 257.264 3.607 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1 ZINC000004262514 567856286 /nfs/dbraw/zinc/85/62/86/567856286.db2.gz AOINTYAZKYYNGN-NYYWCZLTSA-N 0 0 256.276 3.730 50 30 biogenic CHEARN Cc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000004276686 567856737 /nfs/dbraw/zinc/85/67/37/567856737.db2.gz JWGMSRAHCNKMBC-XBXARRHUSA-N 0 0 266.296 3.620 50 30 CHEARN CCNc1ccccc(C(=O)/C=C\c2ccccc2C)c1=O ZINC000097474749 567860865 /nfs/dbraw/zinc/86/08/65/567860865.db2.gz RDSKEOIFCXVOKP-SEYXRHQNSA-N 0 0 293.366 3.683 50 30 CHEARN Cc1ccc(S(=O)(=O)OCCC2CCCCC2)cc1 ZINC000012649631 567864094 /nfs/dbraw/zinc/86/40/94/567864094.db2.gz UKXWRHNPGQFSDD-UHFFFAOYSA-N 0 0 282.405 3.671 50 30 CHEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C)s1)CO2 ZINC000012822930 567864349 /nfs/dbraw/zinc/86/43/49/567864349.db2.gz WXTLRQRKEBEHQJ-YRNVUSSQSA-N 0 0 286.352 3.724 50 30 CHEARN C=CCNC(=O)c1c(C)c(C)sc1-n1c(C)ccc1C ZINC000032727577 567866600 /nfs/dbraw/zinc/86/66/00/567866600.db2.gz PQMRGOBDNHCPRW-UHFFFAOYSA-N 0 0 288.416 3.688 50 30 CHEARN Cc1ccc(NC(=S)Nc2ccccn2)c(C)c1 ZINC000013658965 567866822 /nfs/dbraw/zinc/86/68/22/567866822.db2.gz DNOYMPGXCHOGHR-UHFFFAOYSA-N 0 0 257.362 3.728 50 30 CHEARN CC(C)NC(=S)N1CCC(Cc2ccccc2)CC1 ZINC000013684459 567866996 /nfs/dbraw/zinc/86/69/96/567866996.db2.gz LCQYECZIKDKZRM-UHFFFAOYSA-N 0 0 276.449 3.635 50 30 CHEARN C=CCCC(=O)N1CCS[C@H](c2cccs2)CC1 ZINC000219468095 567867774 /nfs/dbraw/zinc/86/77/74/567867774.db2.gz FQHDWTFYVXAGOR-ZDUSSCGKSA-N 0 0 281.446 3.721 50 30 CHEARN COc1cccc(/C=N/c2ccc3ncccc3c2)c1O ZINC000013774474 567868073 /nfs/dbraw/zinc/86/80/73/567868073.db2.gz LBYNUHRSLLVQEZ-YBFXNURJSA-N 0 0 278.311 3.700 50 30 CHEARN Cc1nc(C#N)c(N=NCc2ccc(C(C)(C)C)cc2)o1 ZINC000015226414 567870578 /nfs/dbraw/zinc/87/05/78/567870578.db2.gz PHKMAWKNSVZCLI-VCHYOVAHSA-N 0 0 282.347 3.598 50 30 CHEARN CSc1nsc(C=CNc2ccccc2)c1C#N ZINC000100381641 567870588 /nfs/dbraw/zinc/87/05/88/567870588.db2.gz FODWRFJUJJFKKI-BQYQJAHWSA-N 0 0 273.386 3.819 50 30 CHEARN N#Cc1ccc(OC(=O)c2ccc(Cl)cc2F)cc1 ZINC000015578454 567870892 /nfs/dbraw/zinc/87/08/92/567870892.db2.gz DJEDNTSTSISQKS-UHFFFAOYSA-N 0 0 275.666 3.570 50 30 CHEARN Cc1ccc(NC(=O)N(CCC#N)[C@@H](C)C2CC2)cc1 ZINC000072305970 567886654 /nfs/dbraw/zinc/88/66/54/567886654.db2.gz NFNHYBYLZFQLIF-ZDUSSCGKSA-N 0 0 271.364 3.541 50 30 CHEARN CCC[C@](C)(O)C#C[C@](C)(O)c1ccc2ccccc2c1 ZINC000003154476 567896626 /nfs/dbraw/zinc/89/66/26/567896626.db2.gz DXMABHSRXYIDRB-OALUTQOASA-N 0 0 282.383 3.602 50 30 CHEARN Clc1ccc(C2=NN=CC2=NNc2ccccc2)cc1 ZINC000100396711 567913106 /nfs/dbraw/zinc/91/31/06/567913106.db2.gz OVLGDTDDNIBREU-XMHGGMMESA-N 0 0 282.734 3.597 50 30 CHEARN CCCCCCCOC(=O)c1ccnc(Cl)c1 ZINC000100592869 567913513 /nfs/dbraw/zinc/91/35/13/567913513.db2.gz WYFMNYWWXZQBTL-UHFFFAOYSA-N 0 0 255.745 3.862 50 30 CHEARN CCCCCCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000100719643 567913658 /nfs/dbraw/zinc/91/36/58/567913658.db2.gz AVYFHWIJBQASRX-UHFFFAOYSA-N 0 0 278.352 3.603 50 30 CHEARN CCCCCCCCCC(=O)O[C@H]1CCC[C@@H](O)C1 ZINC000101455797 567914905 /nfs/dbraw/zinc/91/49/05/567914905.db2.gz QHRSZDRHNWFDMH-CABCVRRESA-N 0 0 270.413 3.974 50 30 CHEARN C#C[C@@](C)(CC)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000100185 567915124 /nfs/dbraw/zinc/91/51/24/567915124.db2.gz GRKYZYLKOSJCER-ZDUSSCGKSA-N 0 0 270.159 3.525 50 30 CHEARN C=CCc1cccc(C=NNc2ccccc2OC)c1O ZINC000095482112 567916957 /nfs/dbraw/zinc/91/69/57/567916957.db2.gz APZMXVQZNLBLPT-LDADJPATSA-N 0 0 282.343 3.575 50 30 CHEARN CCC/C(Cl)=N\O[P@](=O)(OCC)N(CC)CC ZINC000100900250 567939382 /nfs/dbraw/zinc/93/93/82/567939382.db2.gz XKMZHPNJYBWOHC-DPCFLFMUSA-N 0 0 284.724 3.842 50 30 CHEARN CCOC(=O)c1ccc(N=CN(C)c2ccccc2)cc1 ZINC000242495710 567923288 /nfs/dbraw/zinc/92/32/88/567923288.db2.gz GNGYPJUKIKDJQT-UHFFFAOYSA-N 0 0 282.343 3.660 50 30 CHEARN Cc1sc(/N=C/c2cccc([N+](=O)[O-])c2)c(C#N)c1C ZINC000000296545 567926404 /nfs/dbraw/zinc/92/64/04/567926404.db2.gz ZYCVJUMQTGGJNQ-LZYBPNLTSA-N 0 0 285.328 3.895 50 30 CHEARN O=C1c2ccccc2SC1=CNc1ccc(O)cc1 ZINC000100463136 567927294 /nfs/dbraw/zinc/92/72/94/567927294.db2.gz WFEPSOVFDOMUIF-ZROIWOOFSA-N 0 0 269.325 3.634 50 30 CHEARN C=CCO/N=C1\c2ccccc2-c2c1c(C(C)(C)C)nn2C ZINC000033579608 567927562 /nfs/dbraw/zinc/92/75/62/567927562.db2.gz YOICVWJAANQINL-HMMYKYKNSA-N 0 0 295.386 3.653 50 30 CHEARN N#Cc1ccc(NC(=O)[C@@H]2CCCSC2)cc1Cl ZINC000329791005 567929985 /nfs/dbraw/zinc/92/99/85/567929985.db2.gz DFNJUTBYJLOUFO-SNVBAGLBSA-N 0 0 280.780 3.943 50 30 CHEARN COc1ccc(C(C)=NN=C(C)c2ccc(OC)cc2)cc1 ZINC000252605289 567930070 /nfs/dbraw/zinc/93/00/70/567930070.db2.gz GHKNYIKKEJMSCR-UHFFFAOYSA-N 0 0 296.370 3.937 50 30 CHEARN Cc1ccc(C(=O)C(C#N)=NNc2ccccc2Cl)cc1 ZINC000252609060 567930133 /nfs/dbraw/zinc/93/01/33/567930133.db2.gz HQEKESYRVDAIDE-UHFFFAOYSA-N 0 0 297.745 3.823 50 30 CHEARN C#CCSc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000002531670 567931123 /nfs/dbraw/zinc/93/11/23/567931123.db2.gz CIEGSVGFGAFVBO-UHFFFAOYSA-N 0 0 285.343 3.803 50 30 CHEARN CC(=O)/C(=C\c1ccccc1)C(=O)c1ccccc1 ZINC000005283353 567931764 /nfs/dbraw/zinc/93/17/64/567931764.db2.gz HBHTVGRYGXGEFG-FOWTUZBSSA-N 0 0 250.297 3.542 50 30 CHEARN Cc1cc2c(cc1C(=O)/C=C/N(C)C)NC(C)(C)C[C@H]2C ZINC000584906181 567938612 /nfs/dbraw/zinc/93/86/12/567938612.db2.gz GYHLZLLIKPLNDU-SBDDDAINSA-N 0 0 286.419 3.951 50 30 CHEARN N#Cc1ccc2c(ccn2Cc2ccc(F)cc2)c1 ZINC000206254730 567939019 /nfs/dbraw/zinc/93/90/19/567939019.db2.gz CQWVFQCFBDHHLT-UHFFFAOYSA-N 0 0 250.276 3.700 50 30 CHEARN Cc1ccc(C(=O)N=C2C(C)=CC(=O)C(N=[N+]=[N-])=C2C)cc1 ZINC000100855701 567939225 /nfs/dbraw/zinc/93/92/25/567939225.db2.gz JHNWTHRICCHRSD-JXAWBTAJSA-N 0 0 294.314 3.690 50 30 CHEARN C[C@@H]1C[C@H](C)CN(c2cc(C#N)c3ccccc3n2)C1 ZINC000018194584 567940617 /nfs/dbraw/zinc/94/06/17/567940617.db2.gz SOAQIDMASOAYAW-BETUJISGSA-N 0 0 265.360 3.589 50 30 CHEARN CCOC(=O)[C@H](C#N)[C@@](C)(c1cccs1)c1ccccc1 ZINC000000532592 567942570 /nfs/dbraw/zinc/94/25/70/567942570.db2.gz QBFZSHHTOKKTFK-YOEHRIQHSA-N 0 0 299.395 3.757 50 30 CHEARN N#Cc1nc(-c2cccs2)oc1NCCc1ccccc1 ZINC000000544490 567942674 /nfs/dbraw/zinc/94/26/74/567942674.db2.gz VOHJGRSRBPHBFC-UHFFFAOYSA-N 0 0 295.367 3.929 50 30 CHEARN COc1ccccc1-c1nc(C#N)c(N2CCCCCC2)o1 ZINC000000537079 567942808 /nfs/dbraw/zinc/94/28/08/567942808.db2.gz WXNBFFNDVMNQLE-UHFFFAOYSA-N 0 0 297.358 3.602 50 30 CHEARN CC1=NOC(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000100100142 567943586 /nfs/dbraw/zinc/94/35/86/567943586.db2.gz OZCTZEQRPXUHPT-MDWZMJQESA-N 0 0 287.702 3.916 50 30 CHEARN N#Cc1ccccc1OCc1ccc(F)c2cccnc12 ZINC000024569662 567943782 /nfs/dbraw/zinc/94/37/82/567943782.db2.gz FEQUEVHIBCYTMJ-UHFFFAOYSA-N 0 0 278.286 3.825 50 30 CHEARN COC(=O)[C@H]1CCCCC(=Cc2ccc(Cl)cc2)C1=O ZINC000051329884 567944751 /nfs/dbraw/zinc/94/47/51/567944751.db2.gz VNINQEWYPQDJIV-WONIAPNHSA-N 0 0 292.762 3.656 50 30 CHEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCC[C@H]3C)cc1 ZINC000019095738 567945221 /nfs/dbraw/zinc/94/52/21/567945221.db2.gz DNDOHRFCVODJQJ-LLVKDONJSA-N 0 0 293.370 3.651 50 30 CHEARN O=C1c2cc(F)ccc2OCC/C1=C/c1ccsc1 ZINC000048521035 567946513 /nfs/dbraw/zinc/94/65/13/567946513.db2.gz UMVJZFBTESZBTB-XFFZJAGNSA-N 0 0 274.316 3.936 50 30 CHEARN C[C@H](SCc1ccccc1)C(=O)[C@H](C#N)c1ccccn1 ZINC000049457625 567946707 /nfs/dbraw/zinc/94/67/07/567946707.db2.gz ZNLFUSAAFYIHOS-DZGCQCFKSA-N 0 0 296.395 3.580 50 30 CHEARN O=C(CN1CCCCC1)Nc1nc2ccc(F)cc2s1 ZINC000049691368 567946879 /nfs/dbraw/zinc/94/68/79/567946879.db2.gz ANASGDHAROWOGL-UHFFFAOYSA-N 0 0 293.367 3.509 50 30 CHEARN Cc1ccc(C(C)C)c(OCC#CC[NH+]2CCCCC2)c1 ZINC000002862909 567948685 /nfs/dbraw/zinc/94/86/85/567948685.db2.gz JEIPPAPJTPYYKX-UHFFFAOYSA-N 0 0 285.431 3.987 50 30 CHEARN CSc1nnc(S[C@H](C#N)C2CCCCC2)s1 ZINC000071908665 570216982 /nfs/dbraw/zinc/21/69/82/570216982.db2.gz IWVKHWIIJVCBIU-SECBINFHSA-N 0 0 285.463 3.825 50 30 CHEARN CCCN=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000004475448 570221881 /nfs/dbraw/zinc/22/18/81/570221881.db2.gz HNYBTRGMJVEARV-NTUHNPAUSA-N 0 0 276.321 3.526 50 30 CHEARN Cn1cccc1CNC(=S)Nc1ccccc1Cl ZINC000013544745 570237609 /nfs/dbraw/zinc/23/76/09/570237609.db2.gz LBYLWVJXRNLRAP-UHFFFAOYSA-N 0 0 279.796 3.576 50 30 CHEARN CCOC(=O)c1ccc(/N=C/c2ccc(F)cc2)cc1 ZINC000100042046 570257527 /nfs/dbraw/zinc/25/75/27/570257527.db2.gz LFEWMDYDRJCFTL-WOJGMQOQSA-N 0 0 271.291 3.753 50 30 CHEARN CCC(Nc1ccccc1)=C1C(=O)CC(C)(C)CC1=O ZINC000100459140 570258856 /nfs/dbraw/zinc/25/88/56/570258856.db2.gz HHBPLOMBDKKTQN-UHFFFAOYSA-N 0 0 271.360 3.721 50 30 CHEARN N#Cc1ccc(-c2noc(C3CCC3)n2)cc1Cl ZINC000725273584 570263992 /nfs/dbraw/zinc/26/39/92/570263992.db2.gz MSACNEWZNRKFJK-UHFFFAOYSA-N 0 0 259.696 3.529 50 30 CHEARN CCc1ccc(O)c(/N=C/c2cc(C)ccc2O)c1 ZINC000000225338 570264408 /nfs/dbraw/zinc/26/44/08/570264408.db2.gz OUEPCWIMDFXWOQ-LICLKQGHSA-N 0 0 255.317 3.719 50 30 CHEARN O=C(CCc1c[nH]cn1)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000329356333 570269150 /nfs/dbraw/zinc/26/91/50/570269150.db2.gz WEHGGVJEPKXKKI-ZFWWWQNUSA-N 0 0 275.396 3.515 50 30 CHEARN N#Cc1cc(Cl)c(N2CCc3ccccc3C2)cc1C#N ZINC000000529189 570286261 /nfs/dbraw/zinc/28/62/61/570286261.db2.gz QEKCKLZVCIEJPN-UHFFFAOYSA-N 0 0 293.757 3.646 50 30 CHEARN CCc1nc(OCc2ccccc2F)c(C#N)c2c1CCC2 ZINC000012325065 570307628 /nfs/dbraw/zinc/30/76/28/570307628.db2.gz DZESTJIWRSGJGJ-UHFFFAOYSA-N 0 0 296.345 3.722 50 30 CHEARN C=CCOc1cccc(C(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000002877958 570310999 /nfs/dbraw/zinc/31/09/99/570310999.db2.gz LCAWVMIWYFFMAN-UHFFFAOYSA-N 0 0 295.338 3.706 50 30 CHEARN Cc1cc(/C=N/c2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000003080654 570320061 /nfs/dbraw/zinc/32/00/61/570320061.db2.gz BJYUHPFDQNALBD-MHWRWJLKSA-N 0 0 254.289 3.962 50 30 CHEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC2=O ZINC000003881421 570321850 /nfs/dbraw/zinc/32/18/50/570321850.db2.gz LUJVUUWNAPIQQI-QAGGRKNESA-N 0 0 284.399 3.863 50 30 biogenic,world CHEARN C=C(C)CC[C@H](C)[NH2+]Cc1nn(C)c2ccc(C)cc12 ZINC000065465321 570335925 /nfs/dbraw/zinc/33/59/25/570335925.db2.gz QYDIBGWUFSYGJI-AWEZNQCLSA-N 0 0 271.408 3.716 50 30 CHEARN N#Cc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1 ZINC000012755397 570336778 /nfs/dbraw/zinc/33/67/78/570336778.db2.gz WZCQWABNAWHEOY-UHFFFAOYSA-N 0 0 297.383 3.536 50 30 CHEARN C=CCN1C(=S)N=NC1CC12CC3CC(CC(C3)C1)C2 ZINC000017022290 570345543 /nfs/dbraw/zinc/34/55/43/570345543.db2.gz KTTHSBRNIUQNBI-UHFFFAOYSA-N 0 0 289.448 3.512 50 30 CHEARN COc1cc(C(=O)/C=C/c2cccnc2)ccc1SC ZINC000050234602 570352101 /nfs/dbraw/zinc/35/21/01/570352101.db2.gz OHBQJQBTSGHRNA-FNORWQNLSA-N 0 0 285.368 3.708 50 30 CHEARN N#CCCCSCc1ccn(-c2ccc(F)cc2)n1 ZINC000190958790 570352512 /nfs/dbraw/zinc/35/25/12/570352512.db2.gz KJCMQQPKTYIEPI-UHFFFAOYSA-N 0 0 275.352 3.548 50 30 CHEARN Cc1ccc2c(CC(=O)Nc3sccc3C#N)coc2c1 ZINC000014626496 570366533 /nfs/dbraw/zinc/36/65/33/570366533.db2.gz AYXZYNNDDHFRHH-UHFFFAOYSA-N 0 0 296.351 3.856 50 30 CHEARN N#CC1(C(=O)N2CCC(=Cc3ccccc3)CC2)CCCC1 ZINC000089828162 570371061 /nfs/dbraw/zinc/37/10/61/570371061.db2.gz CWMXOZUARPYTIE-UHFFFAOYSA-N 0 0 294.398 3.776 50 30 CHEARN COc1ccc(Cl)cc1Nc1nc(C)cc(C)c1C#N ZINC000000508320 570389717 /nfs/dbraw/zinc/38/97/17/570389717.db2.gz UERXHBKIIIBYQM-UHFFFAOYSA-N 0 0 287.750 3.976 50 30 CHEARN CCC[C@@H]1CCc2c(sc(=O)n2CC2(CC#N)CC2)C1 ZINC000585098272 570392347 /nfs/dbraw/zinc/39/23/47/570392347.db2.gz OJZUPNJZNJZOCH-GFCCVEGCSA-N 0 0 290.432 3.509 50 30 CHEARN CC(C)Oc1cccc(F)c1-c1ncccc1C#N ZINC000067805194 570394071 /nfs/dbraw/zinc/39/40/71/570394071.db2.gz BXEZYIMUMUDXJH-UHFFFAOYSA-N 0 0 256.280 3.547 50 30 CHEARN CC(C)(C)OC(=O)N1CC=C(c2ccccc2C#N)CC1 ZINC000116404625 570394617 /nfs/dbraw/zinc/39/46/17/570394617.db2.gz WCRUBXNQVAOTCB-UHFFFAOYSA-N 0 0 284.359 3.582 50 30 CHEARN N#Cc1ccsc1NC(=O)c1cccc(Cl)c1 ZINC000002642282 570397626 /nfs/dbraw/zinc/39/76/26/570397626.db2.gz PHHGPRXBBOEEMT-UHFFFAOYSA-N 0 0 262.721 3.525 50 30 CHEARN CN/N=C1\CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000245225835 570401638 /nfs/dbraw/zinc/40/16/38/570401638.db2.gz SBVFQTNRIXLYNI-FBCRTLRFSA-N 0 0 298.430 3.824 50 30 CHEARN O=C(/C=C/c1csc(Br)c1)c1cccnc1 ZINC000031823873 1120222864 /nfs/dbraw/zinc/22/28/64/1120222864.db2.gz NLEQRDIICCKAOV-ONEGZZNKSA-N 0 0 294.173 3.802 50 30 CHEARN CC(C)(C)OC(=O)Nc1ccc(C#C[Si](C)(C)C)cn1 ZINC000169794038 1125281103 /nfs/dbraw/zinc/28/11/03/1125281103.db2.gz YGCSGXBHBYIJFY-UHFFFAOYSA-N 0 0 290.439 3.658 50 30 CHEARN CCc1sc(C(=O)N2CCc3ccc(C#N)cc32)cc1C ZINC000089280292 1125583411 /nfs/dbraw/zinc/58/34/11/1125583411.db2.gz SMWVRMMFNHUANT-UHFFFAOYSA-N 0 0 296.395 3.694 50 30 CHEARN COc1ccc(-c2csc(N=NCc3ccco3)n2)cc1 ZINC000254483330 1127099647 /nfs/dbraw/zinc/09/96/47/1127099647.db2.gz DUWWCFGIRJNKHY-UHFFFAOYSA-N 0 0 299.355 3.858 50 30 CHEARN Cc1cn2c(/C=C/C(=O)c3ccccc3)c(C)nc2s1 ZINC000012541267 1127894612 /nfs/dbraw/zinc/89/46/12/1127894612.db2.gz VUGVWGSTJQDYPL-CMDGGOBGSA-N 0 0 282.368 3.909 50 30 CHEARN N#Cc1c(/N=C/c2cccc([N+](=O)[O-])c2)sc2c1CCC2 ZINC000000223097 1119100692 /nfs/dbraw/zinc/10/06/92/1119100692.db2.gz FQHLNFSWCKZTHQ-RQZCQDPDSA-N 0 0 297.339 3.767 50 30 CHEARN C[C@@H](Nc1oc(-c2ccco2)nc1C#N)c1ccccc1 ZINC000000352180 1119144168 /nfs/dbraw/zinc/14/41/68/1119144168.db2.gz ZKPMZIARYJWEMD-LLVKDONJSA-N 0 0 279.299 3.979 50 30 CHEARN CCCCCCCCCCOc1nc(N)nc(N)c1N=O ZINC000135817668 1119247126 /nfs/dbraw/zinc/24/71/26/1119247126.db2.gz TYBAXDJDPMGXDB-UHFFFAOYSA-N 0 0 295.387 3.558 50 30 CHEARN CC(C)(C)n1cc(NC(=O)c2cccnc2C2CC2)cn1 ZINC000329509714 1119425666 /nfs/dbraw/zinc/42/56/66/1119425666.db2.gz BHHLZYLPTUMYCY-UHFFFAOYSA-N 0 0 284.363 3.547 50 30 CHEARN Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccc(O)c(O)c1)CC2 ZINC000013137620 1119776277 /nfs/dbraw/zinc/77/62/77/1119776277.db2.gz PUILQDYIHMDXGN-NTEUORMPSA-N 0 0 294.350 3.927 50 30 CHEARN N#CC(=NNc1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000252637632 1128894788 /nfs/dbraw/zinc/89/47/88/1128894788.db2.gz XUVHXSZZCICDTF-UHFFFAOYSA-N 0 0 283.718 3.514 50 30 CHEARN CC(=O)Nc1ccccc1C(=O)C=Cc1cccnc1 ZINC000328599653 1120181712 /nfs/dbraw/zinc/18/17/12/1120181712.db2.gz SSBKSFZJLJEHIL-CMDGGOBGSA-N 0 0 266.300 3.586 50 30 CHEARN Cc1ccc(CN=Nc2nc(C)cc(-c3ccccc3)n2)o1 ZINC000252638295 1128896603 /nfs/dbraw/zinc/89/66/03/1128896603.db2.gz YAXBODFQAYQIML-UHFFFAOYSA-N 0 0 292.342 3.799 50 30 CHEARN C=CCNC(=O)CSC(c1ccccc1)c1ccccc1 ZINC000045964122 1120779345 /nfs/dbraw/zinc/77/93/45/1120779345.db2.gz YYSHCHWLZNNGIT-UHFFFAOYSA-N 0 0 297.423 3.811 50 30 CHEARN CC(=O)c1cn(Cc2ccc(C#N)cc2)c2ccccc12 ZINC000000807237 1120994138 /nfs/dbraw/zinc/99/41/38/1120994138.db2.gz OGNZQMLSGDISFY-UHFFFAOYSA-N 0 0 274.323 3.764 50 30 CHEARN Cc1c([N+](=O)[O-])cc(/N=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000003658860 1121029804 /nfs/dbraw/zinc/02/98/04/1121029804.db2.gz ZLQSXSBUMBXBSV-OQLLNIDSSA-N 0 0 285.259 3.562 50 30 CHEARN C=CCOc1c(Cl)cc(/C=C/[N+](=O)[O-])cc1OCC ZINC000002866428 1121031499 /nfs/dbraw/zinc/03/14/99/1121031499.db2.gz AQNCVGJEUARXCJ-AATRIKPKSA-N 0 0 283.711 3.551 50 30 CHEARN CC(C)CCN(CCC#N)C(=O)c1nccc2ccccc21 ZINC000069873571 1121241309 /nfs/dbraw/zinc/24/13/09/1121241309.db2.gz FBIUAVREDPYDGZ-UHFFFAOYSA-N 0 0 295.386 3.637 50 30 CHEARN Cc1csc(C2(NC(=O)c3csnc3C)CCC2)n1 ZINC000329714730 1123649056 /nfs/dbraw/zinc/64/90/56/1123649056.db2.gz TZZDVAFQWWDMLG-UHFFFAOYSA-N 0 0 293.417 3.600 50 30 CHEARN COc1ccc(-c2cccc(CC(C)(C)C#N)c2)c(CO)c1 ZINC000596642896 1123812751 /nfs/dbraw/zinc/81/27/51/1123812751.db2.gz WLTNGAXRDZFLAD-UHFFFAOYSA-N 0 0 295.382 3.947 50 30 CHEARN C=C(C)CN(CC)C(=O)N[C@@H](c1ncc(C)s1)C1CC1 ZINC000074703168 1124013726 /nfs/dbraw/zinc/01/37/26/1124013726.db2.gz AWJPBGZMASTOLF-CYBMUJFWSA-N 0 0 293.436 3.510 50 30 CHEARN CC(C)/N=C1\SCN(c2ccccc2)C(=O)N1C(C)C ZINC000039321320 1124064257 /nfs/dbraw/zinc/06/42/57/1124064257.db2.gz HSXMWAMNNUETHN-PEZBUJJGSA-N 0 0 291.420 3.792 50 30 CHEARN C=C(C)CN=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000585098614 1131292512 /nfs/dbraw/zinc/29/25/12/1131292512.db2.gz YSSDJGXXPKGYHF-QGZVFWFLSA-N 0 0 263.284 3.609 50 30 CHEARN C#CCN(C(=O)c1cccc(SC(F)(F)F)c1)C1CC1 ZINC000585107802 1131296480 /nfs/dbraw/zinc/29/64/80/1131296480.db2.gz ZSNMPBVBCUPCNH-UHFFFAOYSA-N 0 0 299.317 3.536 50 30 CHEARN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2ccc(F)cc2)CC1 ZINC000620314855 1125227752 /nfs/dbraw/zinc/22/77/52/1125227752.db2.gz SQPADFXIJVFUNV-IYBDPMFKSA-N 0 0 285.362 3.567 50 30 CHEARN CCOC(=O)CCCCCCC(=O)c1cccc(C#N)c1 ZINC000002378996 1125430587 /nfs/dbraw/zinc/43/05/87/1125430587.db2.gz OSGYMPWFPQEZMH-UHFFFAOYSA-N 0 0 287.359 3.645 50 30 CHEARN O=C(/C=C\c1cc(F)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000097147129 1129585731 /nfs/dbraw/zinc/58/57/31/1129585731.db2.gz IVTWQCARNNBRLT-BAQGIRSFSA-N 0 0 289.237 3.769 50 30 CHEARN N#Cc1cccc(/C=C\C(=O)c2ccccc2-n2cccn2)c1 ZINC000097161578 1129586118 /nfs/dbraw/zinc/58/61/18/1129586118.db2.gz ZFLNVIKVRLWNMF-KTKRTIGZSA-N 0 0 299.333 3.640 50 30 CHEARN N#Cc1cccc(C(=O)/C=C/c2c[nH]c(C(F)(F)F)c2)c1 ZINC000253426516 1129632432 /nfs/dbraw/zinc/63/24/32/1129632432.db2.gz WEJUUBGBOJDRJR-SNAWJCMRSA-N 0 0 290.244 3.801 50 30 CHEARN Cc1ccc(C)c(CON=Cc2cccc([N+](=O)[O-])c2)c1 ZINC000254349918 1129689688 /nfs/dbraw/zinc/68/96/88/1129689688.db2.gz PHOIEFVWZBHPDR-UHFFFAOYSA-N 0 0 284.315 3.762 50 30 CHEARN Cc1ccc(NC(=S)NN=C2C[C@@H]3CC=C[C@@H]23)c(C)c1 ZINC000254614825 1129702452 /nfs/dbraw/zinc/70/24/52/1129702452.db2.gz AVLRAPXDMAWMOO-QWHCGFSZSA-N 0 0 285.416 3.542 50 30 CHEARN C=C(C)CN=c1scc(C)n1N=Cc1sccc1C ZINC000254841635 1129713508 /nfs/dbraw/zinc/71/35/08/1129713508.db2.gz SAJFNFZHLKGOIH-UHFFFAOYSA-N 0 0 291.445 3.587 50 30 CHEARN COC(=O)CC1=C(C)C(=O)C=C2C(C)(C)CCC[C@@]21C ZINC000000298143 1129742191 /nfs/dbraw/zinc/74/21/91/1129742191.db2.gz LSPIOZBHWPANRN-QGZVFWFLSA-N 0 0 276.376 3.592 50 30 CHEARN C#CCCC1(CCC(=O)N2CCC3(CCCC3)CC2)N=N1 ZINC000952881536 1132016633 /nfs/dbraw/zinc/01/66/33/1132016633.db2.gz NPWTZWGKRTUQHN-UHFFFAOYSA-N 0 0 287.407 3.525 50 30 CHEARN C=CCN(Cc1ccc(C)s1)C(=O)c1ccsc1 ZINC000952961189 1132017069 /nfs/dbraw/zinc/01/70/69/1132017069.db2.gz USPRBEVVFQOUKD-UHFFFAOYSA-N 0 0 277.414 3.946 50 30 CHEARN Cc1cc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc(C)c1O ZINC000016391904 230371578 /nfs/dbraw/zinc/37/15/78/230371578.db2.gz ABOKXFNBNQXGOA-BJMVGYQFSA-N 0 0 295.382 3.971 50 30 CHEARN CCn1cc(/C=C\C(=O)c2cc3ccccc3o2)cn1 ZINC000096456687 230377614 /nfs/dbraw/zinc/37/76/14/230377614.db2.gz AJWYGVAYJXMYHN-FPLPWBNLSA-N 0 0 266.300 3.545 50 30 CHEARN N#CCSc1nnc(-c2ccccc2)c2ccccc21 ZINC000001788275 230367117 /nfs/dbraw/zinc/36/71/17/230367117.db2.gz ZUHFRQBHPVROAN-UHFFFAOYSA-N 0 0 277.352 3.912 50 30 CHEARN CC(C)SCC(=O)Nc1ccccc1SCCC#N ZINC000095953463 185040920 /nfs/dbraw/zinc/04/09/20/185040920.db2.gz XVKVLSFCDCAHKU-UHFFFAOYSA-N 0 0 294.445 3.772 50 30 CHEARN Cc1nc(NC(=O)C[C@H]2CCCC(C)(C)C2)sc1C#N ZINC000096011080 185064475 /nfs/dbraw/zinc/06/44/75/185064475.db2.gz VQQYQIDSWQTHNJ-LLVKDONJSA-N 0 0 291.420 3.868 50 30 CHEARN O=C1/C(=C\c2cccc(O)c2)CC/C1=C/c1cccc(O)c1 ZINC000096766277 185111911 /nfs/dbraw/zinc/11/19/11/185111911.db2.gz ZWTZKZDFAIDISY-VULZFCBJSA-N 0 0 292.334 3.928 50 30 CHEARN C=CCOc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1 ZINC000096766233 185112289 /nfs/dbraw/zinc/11/22/89/185112289.db2.gz ZJKQWRPBIQRCFS-XGICHPGQSA-N 0 0 280.323 3.853 50 30 CHEARN O=C(/C=C\c1csc(Br)c1)c1cccnc1 ZINC000097015575 185152314 /nfs/dbraw/zinc/15/23/14/185152314.db2.gz NLEQRDIICCKAOV-ARJAWSKDSA-N 0 0 294.173 3.802 50 30 CHEARN C/C(=N/[O-])c1cn(Cc2c(Cl)cccc2Cl)c(C)[nH+]1 ZINC000100067431 185704760 /nfs/dbraw/zinc/70/47/60/185704760.db2.gz WZHMSTSUBAKXGA-IUXPMGMMSA-N 0 0 298.173 3.745 50 30 CHEARN CCc1ccc(C(=O)C=CNc2cccc(O)c2)cc1 ZINC000101716043 185756534 /nfs/dbraw/zinc/75/65/34/185756534.db2.gz HUNILBOWNWBDHL-ZHACJKMWSA-N 0 0 267.328 3.763 50 30 CHEARN CN1N=C(c2ccccc2)CS/C1=N/Cc1ccccc1 ZINC000105785933 186071253 /nfs/dbraw/zinc/07/12/53/186071253.db2.gz CXIRIYXTJHFDIS-ISLYRVAYSA-N 0 0 295.411 3.626 50 30 CHEARN N#Cc1c(Br)cccc1OCCC(F)(F)F ZINC000168642886 188651526 /nfs/dbraw/zinc/65/15/26/188651526.db2.gz AOECNQJOQBLODR-UHFFFAOYSA-N 0 0 294.070 3.652 50 30 CHEARN C[Si](C)(C)C#Cc1ccc(C#Cc2ccc(N)cc2)cc1 ZINC000169982888 188666622 /nfs/dbraw/zinc/66/66/22/188666622.db2.gz PEJWBVCQYKGLQQ-UHFFFAOYSA-N 0 0 289.454 3.898 50 30 CHEARN Cc1ccc2ncnc(NCc3ccc(C#N)cc3F)c2c1 ZINC000170655555 188681355 /nfs/dbraw/zinc/68/13/55/188681355.db2.gz UTOZLYSHIMLXBC-UHFFFAOYSA-N 0 0 292.317 3.561 50 30 CHEARN Cc1nnc(CS[C@H](C)c2ccc(C#N)cc2)n1C1CC1 ZINC000180787681 189275370 /nfs/dbraw/zinc/27/53/70/189275370.db2.gz FPDQLZLMVUGLTM-LLVKDONJSA-N 0 0 298.415 3.788 50 30 CHEARN CC(C)(C)OC(=O)n1c(Cl)cc2ccc(C#N)cc21 ZINC000261493576 190039151 /nfs/dbraw/zinc/03/91/51/190039151.db2.gz DYKOBMHBAPVRAC-UHFFFAOYSA-N 0 0 276.723 3.950 50 30 CHEARN COc1cc(OC)c(C#N)c(SCc2ccccc2)c1 ZINC000000082061 169529916 /nfs/dbraw/zinc/52/99/16/169529916.db2.gz UZMNYMCWOGFEDI-UHFFFAOYSA-N 0 0 285.368 3.868 50 30 CHEARN Cc1cc(F)ccc1NC(=S)N/N=C/c1cccs1 ZINC000000099357 169535812 /nfs/dbraw/zinc/53/58/12/169535812.db2.gz BAENSGCULAMYOX-OVCLIPMQSA-N 0 0 293.392 3.516 50 30 CHEARN CC(=O)c1cc(C#N)c(SCc2ccccc2)nc1C ZINC000000115201 169541000 /nfs/dbraw/zinc/54/10/00/169541000.db2.gz FDMKMPPVHACAIP-UHFFFAOYSA-N 0 0 282.368 3.757 50 30 CHEARN C[C@H](Cc1ccccc1)N1CCC(=O)C2=C1CCCC2 ZINC000000208836 169574900 /nfs/dbraw/zinc/57/49/00/169574900.db2.gz CQQFYRXUVKSYBX-CQSZACIVSA-N 0 0 269.388 3.721 50 30 CHEARN CSc1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000000436485 169640171 /nfs/dbraw/zinc/64/01/71/169640171.db2.gz SROIEGZSISUDLM-UHFFFAOYSA-N 0 0 289.400 3.663 50 30 CHEARN CO/N=C/CC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000004001874 533116276 /nfs/dbraw/zinc/11/62/76/533116276.db2.gz PDYVIGWXPHTBON-SFQUDFHCSA-N 0 0 269.300 3.684 50 30 CHEARN C=C(C)COc1cc(C)cc2oc(=O)c(C)c(C)c12 ZINC000002811857 256870946 /nfs/dbraw/zinc/87/09/46/256870946.db2.gz ZKNAXBHQHNWUDD-UHFFFAOYSA-N 0 0 258.317 3.673 50 30 CHEARN O=C(/C=C/c1ccc(Cl)cc1)C1(O)CCCCC1 ZINC000001075365 169689438 /nfs/dbraw/zinc/68/94/38/169689438.db2.gz KUAPPNHKMNFXEG-RMKNXTFCSA-N 0 0 264.752 3.618 50 30 CHEARN C=CCc1ccc(OCc2ccc(C#N)cc2)c(OC)c1 ZINC000001386267 169698023 /nfs/dbraw/zinc/69/80/23/169698023.db2.gz UINXYBWAVRKQKV-UHFFFAOYSA-N 0 0 279.339 3.874 50 30 CHEARN C=C(Br)CCc1ccc(C(=O)OCC)cc1 ZINC000002245370 169783268 /nfs/dbraw/zinc/78/32/68/169783268.db2.gz IAIWCHNSFKSQJZ-UHFFFAOYSA-N 0 0 283.165 3.705 50 30 CHEARN O=C(O/N=C/c1ccc(Cl)cc1)C1CCCCC1 ZINC000002534660 169803882 /nfs/dbraw/zinc/80/38/82/169803882.db2.gz YIYHJDLATYKRGO-MHWRWJLKSA-N 0 0 265.740 3.797 50 30 CHEARN C=CCOc1cccc(C(=O)Nc2ccc(OCC)cc2)c1 ZINC000002875822 169839791 /nfs/dbraw/zinc/83/97/91/169839791.db2.gz AQLXCIORUYFNNX-UHFFFAOYSA-N 0 0 297.354 3.902 50 30 CHEARN CSc1ccc(NC(=O)c2cccc(C)c2)cc1C#N ZINC000003104724 169856496 /nfs/dbraw/zinc/85/64/96/169856496.db2.gz OORVVHJIIDMMEW-UHFFFAOYSA-N 0 0 282.368 3.841 50 30 CHEARN CCc1ccc(Nc2nnc(S[C@@H](C)C#N)s2)cc1 ZINC000003386685 169883855 /nfs/dbraw/zinc/88/38/55/169883855.db2.gz MOEGFTSRFHYHME-VIFPVBQESA-N 0 0 290.417 3.848 50 30 CHEARN O=C1/C(=C/c2cccs2)COC/C1=C\c1cccs1 ZINC000004697578 170000999 /nfs/dbraw/zinc/00/09/99/170000999.db2.gz GEWCSDVIGVPBJG-MKICQXMISA-N 0 0 288.393 3.876 50 30 CHEARN C=CCOc1ccc(/C=C2\N=C(SC)SC2=O)cc1 ZINC000004755139 170011692 /nfs/dbraw/zinc/01/16/92/170011692.db2.gz UDHUFYQXTSRFQZ-XFXZXTDPSA-N 0 0 291.397 3.585 50 30 CHEARN CC/C(=N\O)c1ccc(OCc2ccccc2)cc1OC ZINC000004755720 170012956 /nfs/dbraw/zinc/01/29/56/170012956.db2.gz MIJDHRVUCAISKA-FBMGVBCBSA-N 0 0 285.343 3.863 50 30 CHEARN CC1=C[C@](C)(C(Cl)(Cl)Cl)C(C)=CC1=O ZINC000004776797 170015557 /nfs/dbraw/zinc/01/55/57/170015557.db2.gz ACUGWBQJVJTCAG-VIFPVBQESA-N 0 0 253.556 3.838 50 30 CHEARN O=[N+]([O-])C(=NNc1ccccc1)c1ccc2ccccc2c1 ZINC000004800335 170019158 /nfs/dbraw/zinc/01/91/58/170019158.db2.gz BFOMBODDLXUPQD-HTXNQAPBSA-N 0 0 291.310 3.890 50 30 CHEARN C#CCn1c2ccccc2nc1[C@@H](C)Oc1ccccc1 ZINC000004810025 170020780 /nfs/dbraw/zinc/02/07/80/170020780.db2.gz HORNBXGOVSGCJM-CQSZACIVSA-N 0 0 276.339 3.810 50 30 CHEARN C=CCOc1cccc(NC(=O)c2cccc(OC)c2)c1 ZINC000004838830 170027400 /nfs/dbraw/zinc/02/74/00/170027400.db2.gz DVLCEUQRUGECJX-UHFFFAOYSA-N 0 0 283.327 3.512 50 30 CHEARN N#Cc1ccc(C(=O)Nc2ccccc2Cl)c(F)c1 ZINC000004840601 170027545 /nfs/dbraw/zinc/02/75/45/170027545.db2.gz NQKQMDAHNGTQIX-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(F)cc1 ZINC000004867077 170033470 /nfs/dbraw/zinc/03/34/70/170033470.db2.gz CZCSLZYIOLVCDV-GXDHUFHOSA-N 0 0 298.342 3.717 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc2c(c1)CCC2 ZINC000004904892 170039234 /nfs/dbraw/zinc/03/92/34/170039234.db2.gz VTNGKRMDKHZHPO-UHFFFAOYSA-N 0 0 279.299 3.699 50 30 CHEARN SCCCCCOc1ccccc1Br ZINC000004949747 170044346 /nfs/dbraw/zinc/04/43/46/170044346.db2.gz DXLOEXCCGYIABG-UHFFFAOYSA-N 0 0 275.211 3.928 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(OC)cc2OC)cc1 ZINC000004974443 170047216 /nfs/dbraw/zinc/04/72/16/170047216.db2.gz HVAKUYCEWDPRCA-WDZFZDKYSA-N 0 0 298.338 3.609 50 30 CHEARN CC(N=Nc1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc21 ZINC000004990479 170050628 /nfs/dbraw/zinc/05/06/28/170050628.db2.gz MACAZAICUYXHTF-WQRHYEAKSA-N 0 0 294.314 3.912 50 30 CHEARN O=C1c2ccccc2S/C1=C/c1ccc2c(c1)OCO2 ZINC000004991783 170051341 /nfs/dbraw/zinc/05/13/41/170051341.db2.gz RHBOABLKHKBOQT-OVCLIPMQSA-N 0 0 282.320 3.745 50 30 CHEARN CC/C(=N\N=C(/CC)c1ccccc1N)c1ccccc1N ZINC000005090836 170065199 /nfs/dbraw/zinc/06/51/99/170065199.db2.gz XLPVKDGBMHSGMS-KSTNYAOJSA-N 0 0 294.402 3.864 50 30 CHEARN O=C(/C=C\C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000005119088 170067900 /nfs/dbraw/zinc/06/79/00/170067900.db2.gz OTMHSXSPMNUEDL-WAYWQWQTSA-N 0 0 294.521 3.704 50 30 CHEARN O=C(/C=C/c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC000005129091 170068934 /nfs/dbraw/zinc/06/89/34/170068934.db2.gz XCQPLWRKVKRYTP-XVNBXDOJSA-N 0 0 286.714 3.965 50 30 CHEARN C/C(=N\Oc1cccc(F)n1)c1ccc(Cl)cc1 ZINC000005184395 170075077 /nfs/dbraw/zinc/07/50/77/170075077.db2.gz KNWARSNDUXPCFK-RQZCQDPDSA-N 0 0 264.687 3.677 50 30 CHEARN CCOc1ccc(/N=C/c2cccc(OCC)c2O)cc1 ZINC000005273531 170081755 /nfs/dbraw/zinc/08/17/55/170081755.db2.gz FUSQBEVWMYGKKT-LDADJPATSA-N 0 0 285.343 3.940 50 30 CHEARN N#C[C@@H](C(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000005278903 170081864 /nfs/dbraw/zinc/08/18/64/170081864.db2.gz YCJMPRBLQDWITE-OAHLLOKOSA-N 0 0 269.731 3.759 50 30 CHEARN C[C@H](Oc1ccccc1C#N)c1nnc(-c2ccccc2)o1 ZINC000005281657 170082381 /nfs/dbraw/zinc/08/23/81/170082381.db2.gz AMIYIMRRVSMFHG-LBPRGKRZSA-N 0 0 291.310 3.748 50 30 CHEARN COc1ccc(OC)c(/N=C/c2cc(Cl)ccc2O)c1 ZINC000005287703 170083427 /nfs/dbraw/zinc/08/34/27/170083427.db2.gz OHDOFOQCSBPFDW-RQZCQDPDSA-N 0 0 291.734 3.813 50 30 CHEARN COc1cccc(/C=N/c2ccc(SC)cc2)c1O ZINC000005335551 170086857 /nfs/dbraw/zinc/08/68/57/170086857.db2.gz JMBMHFGJHOHMAJ-MHWRWJLKSA-N 0 0 273.357 3.873 50 30 CHEARN CN(C)/C=N/c1nc(-c2sccc2Cl)cs1 ZINC000005342016 170087978 /nfs/dbraw/zinc/08/79/78/170087978.db2.gz JMJNSMZRSSFHGI-WUXMJOGZSA-N 0 0 271.798 3.746 50 30 CHEARN C=CCNC(=S)N(Cc1ccccc1)Cc1ccccc1 ZINC000005600904 170118021 /nfs/dbraw/zinc/11/80/21/170118021.db2.gz IPNYWESNDBXTQP-UHFFFAOYSA-N 0 0 296.439 3.749 50 30 CHEARN CCCNc1nc(SC)nc(-c2ccccc2)c1C#N ZINC000005607384 170119519 /nfs/dbraw/zinc/11/95/19/170119519.db2.gz SHESUSYPCGJKNJ-UHFFFAOYSA-N 0 0 284.388 3.559 50 30 CHEARN CC[C@@H]1CSC(Nc2cccc(C(F)(F)F)c2)=N1 ZINC000005719049 170132646 /nfs/dbraw/zinc/13/26/46/170132646.db2.gz AWXKNVOWWOPEHD-SECBINFHSA-N 0 0 274.311 3.808 50 30 CHEARN N#Cc1ccc(NC(=O)c2ccc(F)cc2)cc1Cl ZINC000005750368 170136994 /nfs/dbraw/zinc/13/69/94/170136994.db2.gz STEAOIAKINKUEY-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN C=CCNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000005899092 170152272 /nfs/dbraw/zinc/15/22/72/170152272.db2.gz NYHQTCAVUFEULW-UHFFFAOYSA-N 0 0 265.356 3.511 50 30 CHEARN Cc1c(/C=C/C(=O)c2ccc(Cl)cc2)cc(C#N)n1C ZINC000006049407 170172081 /nfs/dbraw/zinc/17/20/81/170172081.db2.gz AYZRTKCGYCUZQL-VMPITWQZSA-N 0 0 284.746 3.755 50 30 CHEARN C=CCOc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1 ZINC000006312959 170190189 /nfs/dbraw/zinc/19/01/89/170190189.db2.gz ZJKQWRPBIQRCFS-LFYBBSHMSA-N 0 0 280.323 3.853 50 30 CHEARN CN(C)c1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000006337831 170193690 /nfs/dbraw/zinc/19/36/90/170193690.db2.gz PUOMVBOKQMHOJU-IZZDOVSWSA-N 0 0 296.326 3.557 50 30 CHEARN N#Cc1cccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000006400891 170198415 /nfs/dbraw/zinc/19/84/15/170198415.db2.gz GASIFKKSACSXFS-UHFFFAOYSA-N 0 0 295.382 3.723 50 30 CHEARN N#Cc1cccc(OCC(=O)c2ccc3c(c2)CCCC3)c1 ZINC000006401069 170198423 /nfs/dbraw/zinc/19/84/23/170198423.db2.gz LYOQCPFKQRIFQT-UHFFFAOYSA-N 0 0 291.350 3.699 50 30 CHEARN CCn1ncc(Cl)c1/C=C/C(=O)c1ccc(C)cc1 ZINC000006556044 170212516 /nfs/dbraw/zinc/21/25/16/170212516.db2.gz ZMIHTYYTFUZPTI-CMDGGOBGSA-N 0 0 274.751 3.761 50 30 CHEARN Cc1c(CCC#N)n2ccccc2c1C(=O)c1cccs1 ZINC000006588628 170216824 /nfs/dbraw/zinc/21/68/24/170216824.db2.gz PDMYVLXTMUYGER-UHFFFAOYSA-N 0 0 294.379 3.996 50 30 CHEARN C=CCOc1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000006703990 170230661 /nfs/dbraw/zinc/23/06/61/170230661.db2.gz VQECLSMCXMLUPN-UHFFFAOYSA-N 0 0 267.328 3.812 50 30 CHEARN C=CCSc1ccccc1C(=O)NC1CCCC1 ZINC000006743121 170238323 /nfs/dbraw/zinc/23/83/23/170238323.db2.gz NSDMTLFGBCOUQS-UHFFFAOYSA-N 0 0 261.390 3.637 50 30 CHEARN C=C(C)COc1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000006746567 170239462 /nfs/dbraw/zinc/23/94/62/170239462.db2.gz BYYXVMGSIAPDMV-UHFFFAOYSA-N 0 0 299.345 3.711 50 30 CHEARN C=CCn1c2ccccc2nc1NCc1ccc(O)cc1 ZINC000006752541 170240619 /nfs/dbraw/zinc/24/06/19/170240619.db2.gz SHTJBSKULXZMEJ-UHFFFAOYSA-N 0 0 279.343 3.540 50 30 CHEARN Cc1ccc(/C=C/C(=N\O)c2ccccc2O)cc1 ZINC000006814241 170245791 /nfs/dbraw/zinc/24/57/91/170245791.db2.gz JQXRWFJWDXBYPZ-FQBHYKLYSA-N 0 0 253.301 3.592 50 30 CHEARN CC(=O)Nc1ccc(SCc2cccc(C#N)c2)cc1 ZINC000006919810 170255517 /nfs/dbraw/zinc/25/55/17/170255517.db2.gz VLZFOLZHYMCJPE-UHFFFAOYSA-N 0 0 282.368 3.809 50 30 CHEARN CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1O ZINC000007741976 170300153 /nfs/dbraw/zinc/30/01/53/170300153.db2.gz OVWVOARPOHZGTN-ONNFQVAWSA-N 0 0 298.338 3.696 50 30 CHEARN COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1O ZINC000007743344 170300262 /nfs/dbraw/zinc/30/02/62/170300262.db2.gz FGUIMIOKMFPSAY-VMPITWQZSA-N 0 0 282.339 3.914 50 30 CHEARN Cc1ccc(/C=C/C(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000008126240 170319910 /nfs/dbraw/zinc/31/99/10/170319910.db2.gz GUYXYMYRZIIISU-DHZHZOJOSA-N 0 0 276.339 3.713 50 30 CHEARN C[C@@H](Oc1cccc(C#N)c1)c1nnc(-c2ccccc2)o1 ZINC000008184753 170323159 /nfs/dbraw/zinc/32/31/59/170323159.db2.gz NHDJWRBDGIBDRX-GFCCVEGCSA-N 0 0 291.310 3.748 50 30 CHEARN Cc1occc1-c1nnc(SCc2ccccc2C#N)o1 ZINC000008276999 170328707 /nfs/dbraw/zinc/32/87/07/170328707.db2.gz AOZJBBACVAHNHD-UHFFFAOYSA-N 0 0 297.339 3.802 50 30 CHEARN COc1cccc(NC(=S)NN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000008687847 170345916 /nfs/dbraw/zinc/34/59/16/170345916.db2.gz ITZQHVJQAOKVES-RYUDHWBXSA-N 0 0 293.436 3.571 50 30 CHEARN C=CCN(CC=C)Cc1c(C)[nH]c2ccc(CC)cc2c1=O ZINC000008714143 170348525 /nfs/dbraw/zinc/34/85/25/170348525.db2.gz WMQJIKXZALFLPV-UHFFFAOYSA-N 0 0 296.414 3.985 50 30 CHEARN Cc1cn2c(/C=C/C(=O)c3cccc(O)c3)c(C)nc2s1 ZINC000009466547 170377583 /nfs/dbraw/zinc/37/75/83/170377583.db2.gz KPPXEVVZSWAYLZ-VOTSOKGWSA-N 0 0 298.367 3.614 50 30 CHEARN C=CCOc1ccccc1NC(=O)c1cccc(OCC)c1 ZINC000009815919 170386077 /nfs/dbraw/zinc/38/60/77/170386077.db2.gz VAIYAEIXHLYITI-UHFFFAOYSA-N 0 0 297.354 3.902 50 30 CHEARN C=CCOc1cccc(NC(=O)CCc2ccccc2)c1 ZINC000012137974 170470176 /nfs/dbraw/zinc/47/01/76/170470176.db2.gz OZQLDJJEXWGWKA-UHFFFAOYSA-N 0 0 281.355 3.823 50 30 CHEARN CC(C)(C)NC(=S)Nc1ccc(Br)cc1 ZINC000013482903 170554910 /nfs/dbraw/zinc/55/49/10/170554910.db2.gz FTOIAWAYWXGUGY-UHFFFAOYSA-N 0 0 287.226 3.945 50 30 CHEARN N#C[C@H](C(=S)Nc1ccccc1)c1nc2ccccc2[nH]1 ZINC000013658636 170574574 /nfs/dbraw/zinc/57/45/74/170574574.db2.gz MADDIHBERRLZRF-LBPRGKRZSA-N 0 0 292.367 3.610 50 30 CHEARN C=CCN(CC=C)C(=S)Nc1ccccc1CC ZINC000013824141 170599923 /nfs/dbraw/zinc/59/99/23/170599923.db2.gz KAPZZLQDUOVHPR-UHFFFAOYSA-N 0 0 260.406 3.620 50 30 CHEARN O=C1/C(=C\c2ccc(O)cc2)CC/C1=C/c1ccc(O)cc1 ZINC000017251668 170730912 /nfs/dbraw/zinc/73/09/12/170730912.db2.gz YSEMBYWAAKOCKW-NFLUSIDLSA-N 0 0 292.334 3.928 50 30 biogenic CHEARN Cc1ccc(OCCC(=O)Nc2ccc(C#N)cc2)c(C)c1 ZINC000020261444 171118797 /nfs/dbraw/zinc/11/87/97/171118797.db2.gz VXQOJGSLGLGCQK-UHFFFAOYSA-N 0 0 294.354 3.583 50 30 CHEARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)c1C ZINC000020261462 171119294 /nfs/dbraw/zinc/11/92/94/171119294.db2.gz XNPAVCNOCOUOFD-AWEZNQCLSA-N 0 0 294.354 3.581 50 30 CHEARN CCN(CC)c1nc(C2CC2)cc(C(F)(F)F)c1C#N ZINC000020387975 171177495 /nfs/dbraw/zinc/17/74/95/171177495.db2.gz GLFSGILGQHFFFA-UHFFFAOYSA-N 0 0 283.297 3.696 50 30 CHEARN N#Cc1ccsc1NC(=O)CSCc1cccs1 ZINC000032893481 171758249 /nfs/dbraw/zinc/75/82/49/171758249.db2.gz KJZCYLCOLAZZQJ-UHFFFAOYSA-N 0 0 294.426 3.553 50 30 CHEARN COc1cccc(/C=C2/Cc3ccccc3C2=O)c1OC ZINC000033406504 171790491 /nfs/dbraw/zinc/79/04/91/171790491.db2.gz XXVAUZIRWUKFIA-KAMYIIQDSA-N 0 0 280.323 3.526 50 30 CHEARN CCOC(=O)C(C)=NNc1ccc2oc3ccccc3c2c1 ZINC000036077442 172432952 /nfs/dbraw/zinc/43/29/52/172432952.db2.gz HLDFZLPBZYWCJL-WQRHYEAKSA-N 0 0 296.326 3.937 50 30 CHEARN C=CCn1c2ccccc2nc1SCCCC#N ZINC000039978313 174181154 /nfs/dbraw/zinc/18/11/54/174181154.db2.gz WJJJETIMTWVKNP-UHFFFAOYSA-N 0 0 257.362 3.618 50 30 CHEARN N#Cc1ccc(C(=O)/C=C/c2cc(F)ccc2F)cc1 ZINC000040139518 174194034 /nfs/dbraw/zinc/19/40/34/174194034.db2.gz CMKRAYAABBPHIR-VMPITWQZSA-N 0 0 269.250 3.733 50 30 CHEARN N#Cc1ccc(/N=C/c2cc(Cl)ccc2O)cc1 ZINC000040477007 174282746 /nfs/dbraw/zinc/28/27/46/174282746.db2.gz KUESNUZCWUFCEE-RQZCQDPDSA-N 0 0 256.692 3.668 50 30 CHEARN C[C@@H](NC(=O)C1(C#N)CCCCC1)c1ccccc1Cl ZINC000044385584 175169562 /nfs/dbraw/zinc/16/95/62/175169562.db2.gz ORDUHFDGDSAZSY-GFCCVEGCSA-N 0 0 290.794 3.991 50 30 CHEARN Cc1ccccc1-c1noc(CNc2cccc(C#N)c2)n1 ZINC000048345542 175429366 /nfs/dbraw/zinc/42/93/66/175429366.db2.gz IZWFFAQQVXDBOE-UHFFFAOYSA-N 0 0 290.326 3.529 50 30 CHEARN Cc1ccsc1-c1cc(-c2cc[nH]c2)nc(N)c1C#N ZINC000071750686 176260180 /nfs/dbraw/zinc/26/01/80/176260180.db2.gz MMQNOUFBSUTULH-UHFFFAOYSA-N 0 0 280.356 3.568 50 30 CHEARN CO/N=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000043761167 263296059 /nfs/dbraw/zinc/29/60/59/263296059.db2.gz MVKGDHBJUOEZQS-YVLHZVERSA-N 0 0 263.381 3.968 50 30 CHEARN C(=N/c1nc2ccccc2s1)\c1ccc2c(c1)OCO2 ZINC000043761155 263296414 /nfs/dbraw/zinc/29/64/14/263296414.db2.gz GRAZYXHVOXFKAW-LZYBPNLTSA-N 0 0 282.324 3.776 50 30 CHEARN N#Cc1cccc(C(=O)N(Cc2ccccc2F)C2CC2)c1 ZINC000019296140 326854446 /nfs/dbraw/zinc/85/44/46/326854446.db2.gz CGSSHKCFUUKIQJ-UHFFFAOYSA-N 0 0 294.329 3.502 50 30 CHEARN Cc1ccc(N=Cc2ccc3c(c2)OCO3)cc1C ZINC000254744723 328757846 /nfs/dbraw/zinc/75/78/46/328757846.db2.gz VDGKCGWQXUPNSS-UHFFFAOYSA-N 0 0 253.301 3.783 50 30 CHEARN C(#Cc1ccccc1)CN1CCCC[C@H]1c1cccnc1 ZINC000055231637 518368514 /nfs/dbraw/zinc/36/85/14/518368514.db2.gz VXZCEWJRUHZDHY-IBGZPJMESA-N 0 0 276.383 3.660 50 30 biogenic CHEARN C/C(=N/OC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000005003557 518454772 /nfs/dbraw/zinc/45/47/72/518454772.db2.gz USZMRMOXPZKKKA-WCAHNUQUSA-N 0 0 279.339 3.758 50 30 CHEARN C=C(C)COc1ccc2c(c1)NC(=O)C[C@H]2CCSC ZINC000065395093 518617775 /nfs/dbraw/zinc/61/77/75/518617775.db2.gz YRLNUHQBUQCMEW-GFCCVEGCSA-N 0 0 291.416 3.820 50 30 CHEARN C=CC(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000328597428 518656309 /nfs/dbraw/zinc/65/63/09/518656309.db2.gz HDITUXKGKMKWAJ-LURJTMIESA-N 0 0 278.661 3.957 50 30 CHEARN C=CCCC(=O)N1CCC[C@H](CCc2ccccc2)C1 ZINC000012577211 518691878 /nfs/dbraw/zinc/69/18/78/518691878.db2.gz XXTICMPRXVARME-QGZVFWFLSA-N 0 0 271.404 3.824 50 30 CHEARN C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1Cc1nccn1C ZINC000055090664 519109015 /nfs/dbraw/zinc/10/90/15/519109015.db2.gz MDBPHVFEHAYIGY-MSOLQXFVSA-N 0 0 293.414 3.868 50 30 CHEARN CCCc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 ZINC000049054927 521394612 /nfs/dbraw/zinc/39/46/12/521394612.db2.gz FBQRWQXSFWFNMM-OAHLLOKOSA-N 0 0 264.328 3.524 50 30 CHEARN CCOc1ccccc1/C=C/C(=O)c1ccc(O)c(OC)c1 ZINC000008322729 521448705 /nfs/dbraw/zinc/44/87/05/521448705.db2.gz HUZGIMXHGCSLTR-CSKARUKUSA-N 0 0 298.338 3.696 50 30 CHEARN CCCN(CC#N)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000059934317 521524704 /nfs/dbraw/zinc/52/47/04/521524704.db2.gz UXCOBVJVKQDPBN-UHFFFAOYSA-N 0 0 289.137 3.508 50 30 CHEARN COc1ccc(NC(C)=CC(=O)c2ccccc2)c(OC)c1 ZINC000005018880 524379538 /nfs/dbraw/zinc/37/95/38/524379538.db2.gz IGYMOWLQEUYMSK-ACCUITESSA-N 0 0 297.354 3.902 50 30 CHEARN C[C@@H]1C/C(=C\c2cccn2C)C(=O)/C(=C\c2cccn2C)C1 ZINC000245296692 526207532 /nfs/dbraw/zinc/20/75/32/526207532.db2.gz OSWJIKQLNKDUSD-BPRUBXSLSA-N 0 0 294.398 3.830 50 30 CHEARN Fc1ccccc1CN=NC(=S)Nc1ccccc1 ZINC000005182335 526409035 /nfs/dbraw/zinc/40/90/35/526409035.db2.gz QWIPQSKPRJVYFB-YBEGLDIGSA-N 0 0 273.336 3.558 50 30 CHEARN C=CCNC(=O)/C(=C/c1ccccc1OC)c1ccccc1 ZINC000098004340 526521002 /nfs/dbraw/zinc/52/10/02/526521002.db2.gz JCYKAHFLZZIMAD-SAPNQHFASA-N 0 0 293.366 3.538 50 30 CHEARN C=CCNc1nc(-c2ccc(NC(=O)CC)cc2)cs1 ZINC000002630654 526678226 /nfs/dbraw/zinc/67/82/26/526678226.db2.gz HKIRBWDOZHFOKH-UHFFFAOYSA-N 0 0 287.388 3.757 50 30 CHEARN C=C(C)[C@H](NC(=O)CC(F)(F)F)c1ccc(F)c(F)c1 ZINC000186054633 526817667 /nfs/dbraw/zinc/81/76/67/526817667.db2.gz JGOJMMYXKGENKE-LBPRGKRZSA-N 0 0 293.235 3.651 50 30 CHEARN O=C1CCC2=C1[C@H](c1ccccc1)Nc1ccccc1N2 ZINC000054202290 526964746 /nfs/dbraw/zinc/96/47/46/526964746.db2.gz LYNZGEOPZFPYRL-SFHVURJKSA-N 0 0 276.339 3.882 50 30 CHEARN Cn1cc(-c2ccc(/C=C\c3ccc(C#N)cn3)s2)cn1 ZINC000337875511 527131988 /nfs/dbraw/zinc/13/19/88/527131988.db2.gz YMDAGURLEDMZDM-PLNGDYQASA-N 0 0 292.367 3.586 50 30 CHEARN O=C(/C=C/c1ccc2ccccc2n1)c1ccncc1 ZINC000103235314 527622873 /nfs/dbraw/zinc/62/28/73/527622873.db2.gz UJJUKZPBUMCSJZ-BQYQJAHWSA-N 0 0 260.296 3.526 50 30 in-vitro CHEARN CC(C)COc1cccc(C(=O)Nc2ccccc2C#N)c1 ZINC000000513744 528167263 /nfs/dbraw/zinc/16/72/63/528167263.db2.gz RPXWGJGFTHHYOM-UHFFFAOYSA-N 0 0 294.354 3.845 50 30 CHEARN Oc1ccccc1/C=N/Cc1ccc(F)c(Cl)c1 ZINC000057411792 567889952 /nfs/dbraw/zinc/88/99/52/567889952.db2.gz RIPQWOJIZPIPPU-RQZCQDPDSA-N 0 0 263.699 3.804 50 30 CHEARN C=CCCC(=O)N(Cc1ccoc1)Cc1cccs1 ZINC000090747489 570354271 /nfs/dbraw/zinc/35/42/71/570354271.db2.gz JMGQMPCDIUXTJX-UHFFFAOYSA-N 0 0 275.373 3.836 50 30 CHEARN COc1ccc(N=Nc2sc(CC#N)nc2C)cc1 ZINC000252591610 570375959 /nfs/dbraw/zinc/37/59/59/570375959.db2.gz BBHPNOATWWBFDW-UHFFFAOYSA-N 0 0 272.333 3.942 50 30 CHEARN C=CCN1C(=O)c2ccccc2NC12CCC(C)CC2 ZINC000012598905 566853062 /nfs/dbraw/zinc/85/30/62/566853062.db2.gz NEOSRGSXCDYNBV-UHFFFAOYSA-N 0 0 270.376 3.647 50 30 CHEARN C=CCNc1nc(Nc2ccc(O)cc2)nc2ccccc21 ZINC000041150574 566856680 /nfs/dbraw/zinc/85/66/80/566856680.db2.gz WDOYAYYXWMOGFU-UHFFFAOYSA-N 0 0 292.342 3.677 50 30 CHEARN CC1=NN([C@@H](C#N)c2ccccc2O)[C@@H](c2ccccc2)C1 ZINC000001278377 566859085 /nfs/dbraw/zinc/85/90/85/566859085.db2.gz UHLAYLCGCDNPDG-SJORKVTESA-N 0 0 291.354 3.780 50 30 CHEARN C=CCO[C@H](C)C(=O)N[C@H](c1cccs1)C1CCCC1 ZINC000058025770 566874472 /nfs/dbraw/zinc/87/44/72/566874472.db2.gz UZTNDAVBBFKLKP-DOMZBBRYSA-N 0 0 293.432 3.687 50 30 CHEARN N#Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@H](c1cccc(O)c1)N2 ZINC000016649149 566878225 /nfs/dbraw/zinc/87/82/25/566878225.db2.gz UJAWKDAXAYUVLQ-JCGIZDLHSA-N 0 0 292.338 3.508 50 30 CHEARN C=C(C)C(=O)Nc1cccnc1Oc1ccc(F)cc1 ZINC000000093415 566897535 /nfs/dbraw/zinc/89/75/35/566897535.db2.gz VGXSDMQGVMARBV-UHFFFAOYSA-N 0 0 272.279 3.528 50 30 CHEARN C=CCn1c(=S)[nH]nc1[C@@H](C)Oc1ccc(C)cc1C ZINC000015933433 566897968 /nfs/dbraw/zinc/89/79/68/566897968.db2.gz UDQYETXTCVTUKW-GFCCVEGCSA-N 0 0 289.404 3.884 50 30 CHEARN C(=NN=c1[nH]c2ccccc2s1)c1cccs1 ZINC000004582930 566911062 /nfs/dbraw/zinc/91/10/62/566911062.db2.gz YHGVHRFSRANAMU-JYRVWZFOSA-N 0 0 259.359 3.804 50 30 CHEARN CC(C)=NOC(=O)Nc1cccc(Cl)c1Cl ZINC000004583119 566911074 /nfs/dbraw/zinc/91/10/74/566911074.db2.gz TYBCNNOQGIIQPO-UHFFFAOYSA-N 0 0 261.108 3.938 50 30 CHEARN CCCCCCCCCCCCOS(C)(=O)=O ZINC000001690886 566912029 /nfs/dbraw/zinc/91/20/29/566912029.db2.gz RUFILLDBEINNQV-UHFFFAOYSA-N 0 0 264.431 3.884 50 30 CHEARN O=[N+]([O-])c1cccc(C=Nc2ccc(Cl)cc2)c1 ZINC000254578839 566923248 /nfs/dbraw/zinc/92/32/48/566923248.db2.gz WVWIAWOOTNQWGY-UHFFFAOYSA-N 0 0 260.680 3.999 50 30 CHEARN C=CCCn1ccc(-c2cccc(-c3cncnc3)c2)n1 ZINC000019148149 566925591 /nfs/dbraw/zinc/92/55/91/566925591.db2.gz LXGNYAJZKXCUCY-UHFFFAOYSA-N 0 0 276.343 3.583 50 30 CHEARN N=C1NC(=Nc2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000015906180 566926984 /nfs/dbraw/zinc/92/69/84/566926984.db2.gz IYPUXPMROCMAHF-UHFFFAOYSA-N 0 0 290.153 3.791 50 30 CHEARN C=CCNc1nc(=S)[nH]c2sc3c(c21)CCCC3 ZINC000075153199 566938277 /nfs/dbraw/zinc/93/82/77/566938277.db2.gz DPFFWOFCRNHHNJ-UHFFFAOYSA-N 0 0 277.418 3.831 50 30 CHEARN CC(=NO)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000242464079 566968266 /nfs/dbraw/zinc/96/82/66/566968266.db2.gz DVFHLLSPLNIERZ-UHFFFAOYSA-N 0 0 259.280 3.603 50 30 CHEARN CCOC(=O)C(Cl)=NNc1ccc(Cl)cc1Cl ZINC000242554692 566968303 /nfs/dbraw/zinc/96/83/03/566968303.db2.gz MTWAKBYVMJYUSU-UHFFFAOYSA-N 0 0 295.553 3.521 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1 ZINC000015723430 566976968 /nfs/dbraw/zinc/97/69/68/566976968.db2.gz QSTYRJCRRHXXQH-KPKJPENVSA-N 0 0 252.313 3.900 50 30 biogenic CHEARN N#Cc1cnc2ccc(F)cc2c1Nc1ccccc1 ZINC000064438638 566977151 /nfs/dbraw/zinc/97/71/51/566977151.db2.gz XQMKGIKMBMNVAP-UHFFFAOYSA-N 0 0 263.275 3.989 50 30 CHEARN N#Cc1c2c(sc1/N=C\c1ccc(O)cc1O)CCCC2 ZINC000016669645 566984236 /nfs/dbraw/zinc/98/42/36/566984236.db2.gz XSVDVICOKJCXSF-NVMNQCDNSA-N 0 0 298.367 3.660 50 30 CHEARN N#Cc1cc(OCCC(F)(F)F)ccc1Br ZINC000169725815 566998572 /nfs/dbraw/zinc/99/85/72/566998572.db2.gz HSQIOVHYKFPBKJ-UHFFFAOYSA-N 0 0 294.070 3.652 50 30 CHEARN Cc1ccc(C[C@H](C#N)Sc2ccccn2)cc1 ZINC000036398363 567001031 /nfs/dbraw/zinc/00/10/31/567001031.db2.gz MOBGJSHVHZEINV-CQSZACIVSA-N 0 0 254.358 3.617 50 30 CHEARN N#Cc1ccccc1CN1CCC[C@H]1c1ccsc1 ZINC000036393219 567002019 /nfs/dbraw/zinc/00/20/19/567002019.db2.gz QBWQWTQNUGMRSG-INIZCTEOSA-N 0 0 268.385 3.957 50 30 CHEARN N#Cc1c(N)[nH]cc1-c1cccc(OCc2ccccc2)c1 ZINC000036709980 567005985 /nfs/dbraw/zinc/00/59/85/567005985.db2.gz GJVOUHLLVLIIOJ-UHFFFAOYSA-N 0 0 289.338 3.715 50 30 CHEARN CCCc1cc(=O)[nH]c(S[C@H](C)c2ccc(C#N)cc2)n1 ZINC000170630790 567015236 /nfs/dbraw/zinc/01/52/36/567015236.db2.gz BQMLSACTDXTFQD-LLVKDONJSA-N 0 0 299.399 3.860 50 30 CHEARN C[Si](C)(C)C#Cc1ccc(N2CCCCC2)cc1 ZINC000498045776 567024498 /nfs/dbraw/zinc/02/44/98/567024498.db2.gz KTIOEPQJLLAUQF-UHFFFAOYSA-N 0 0 257.453 3.906 50 30 CHEARN C=CCCC(=O)N(Cc1ccsc1)c1cccnc1 ZINC000193515100 567061028 /nfs/dbraw/zinc/06/10/28/567061028.db2.gz WKINWXVVBKTZAT-UHFFFAOYSA-N 0 0 272.373 3.643 50 30 CHEARN CC(C)=C[C@@H]1[C@H](C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)C1(C)C ZINC000252515219 567061985 /nfs/dbraw/zinc/06/19/85/567061985.db2.gz HWZUYTMXTHSULC-ADAWSYLGSA-N 0 0 288.435 3.813 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1/C=C/c1cccc([N+](=O)[O-])c1 ZINC000002167916 567062417 /nfs/dbraw/zinc/06/24/17/567062417.db2.gz AXDFQNZJBNTVJO-SNAWJCMRSA-N 0 0 295.254 3.545 50 30 CHEARN O=C(N=C1CCOc2ccccc21)c1ccccc1Cl ZINC000252599394 567065269 /nfs/dbraw/zinc/06/52/69/567065269.db2.gz DIHPFHBRGKDMTB-UHFFFAOYSA-N 0 0 285.730 3.752 50 30 CHEARN CC(=O)c1cccc(N=Cc2ccc(N(C)C)cc2)c1 ZINC000252608591 567066284 /nfs/dbraw/zinc/06/62/84/567066284.db2.gz HLQKQXMBUQLIRJ-UHFFFAOYSA-N 0 0 266.344 3.706 50 30 CHEARN C(=Nc1ccc2c(c1)OCO2)c1c[nH]c2ccccc12 ZINC000252617678 567068145 /nfs/dbraw/zinc/06/81/45/567068145.db2.gz KYFJQQKLAQMOCU-UHFFFAOYSA-N 0 0 264.284 3.647 50 30 CHEARN CCOc1ccc(C=Nc2ccc(C(C)=O)cc2)c(O)c1 ZINC000252627963 567069947 /nfs/dbraw/zinc/06/99/47/567069947.db2.gz SFBZJCXHMNJCEO-UHFFFAOYSA-N 0 0 283.327 3.744 50 30 CHEARN C[C@@](C#N)(Nc1ccc(Cl)cc1)c1ccncc1 ZINC000034398550 567089207 /nfs/dbraw/zinc/08/92/07/567089207.db2.gz XOAMWAGFVRSLTG-AWEZNQCLSA-N 0 0 257.724 3.586 50 30 CHEARN CC(C)(C)c1cc(CSc2cc(C#N)ccn2)no1 ZINC000253429290 567097794 /nfs/dbraw/zinc/09/77/94/567097794.db2.gz CHGGNEZOOUQFIH-UHFFFAOYSA-N 0 0 273.361 3.531 50 30 CHEARN COc1ccc([C@H]2C[C@@H]2/C(=N/O)c2ccccc2)cc1 ZINC000013142431 567116043 /nfs/dbraw/zinc/11/60/43/567116043.db2.gz SVZRWBOWZMYECF-ILCIMCFISA-N 0 0 267.328 3.677 50 30 CHEARN C[C@H]1Oc2ccccc2C=C1/C=C/C(=O)c1cccc(O)c1 ZINC000012892270 567116176 /nfs/dbraw/zinc/11/61/76/567116176.db2.gz SKOSFKFNBCGVID-WTNCMQEWSA-N 0 0 292.334 3.996 50 30 biogenic CHEARN C=CCOc1ccc(/C=N/c2ccc(OC)cc2)c(O)c1 ZINC000013120068 567116368 /nfs/dbraw/zinc/11/63/68/567116368.db2.gz VKEFSUHTTKOZOQ-LDADJPATSA-N 0 0 283.327 3.716 50 30 CHEARN Cc1cc2c(n1-c1ccc(C#N)cc1)CC(C)(C)CC2=O ZINC000002512865 567121219 /nfs/dbraw/zinc/12/12/19/567121219.db2.gz YIYVUIJDSIIQEP-UHFFFAOYSA-N 0 0 278.355 3.813 50 30 CHEARN N#Cc1c(N)nc2c(c1-c1ccc(F)cc1)CCCCC2 ZINC000019757252 567123340 /nfs/dbraw/zinc/12/33/40/567123340.db2.gz COABJFFHLKNVTB-UHFFFAOYSA-N 0 0 281.334 3.610 50 30 CHEARN N#CCNC(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC000330031827 567125270 /nfs/dbraw/zinc/12/52/70/567125270.db2.gz DUIBZICPHCZEBR-UHFFFAOYSA-N 0 0 278.355 3.568 50 30 CHEARN CC(C)Cc1nc(N2CCCCC2)c(C#N)c2c1CCC2 ZINC000020171899 567126388 /nfs/dbraw/zinc/12/63/88/567126388.db2.gz BQZUEMGPRHRGMG-UHFFFAOYSA-N 0 0 283.419 3.631 50 30 CHEARN COc1ccc(NC(=O)N[C@@H](C)C2=CCCCC2)cc1C#N ZINC000096153532 567138278 /nfs/dbraw/zinc/13/82/78/567138278.db2.gz UQGHKWXWZZETJR-LBPRGKRZSA-N 0 0 299.374 3.577 50 30 CHEARN N#CCCCOc1cccc(/C=C\C(=O)c2cccnc2)c1 ZINC000096189870 567138436 /nfs/dbraw/zinc/13/84/36/567138436.db2.gz HTRPBRJMYDCHLX-HJWRWDBZSA-N 0 0 292.338 3.660 50 30 CHEARN CC(=O)c1ccc(N=Cc2ccc(N(C)C)cc2)cc1 ZINC000254507881 567139618 /nfs/dbraw/zinc/13/96/18/567139618.db2.gz POVLCHRCTGPRKU-UHFFFAOYSA-N 0 0 266.344 3.706 50 30 CHEARN Cc1ccc(C(=O)/C=C\c2cnc(-c3ccccc3)nc2)o1 ZINC000096308926 567140188 /nfs/dbraw/zinc/14/01/88/567140188.db2.gz QDTVLIRZBQQDCI-HJWRWDBZSA-N 0 0 290.322 3.941 50 30 CHEARN N#Cc1ccccc1C(=O)c1ccccc1Br ZINC000002567539 567147848 /nfs/dbraw/zinc/14/78/48/567147848.db2.gz RAMDLDMVUHKNBK-UHFFFAOYSA-N 0 0 286.128 3.552 50 30 CHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)c1cccc(Cl)c1 ZINC000002655953 567151358 /nfs/dbraw/zinc/15/13/58/567151358.db2.gz LAIOETRVCRADFC-NSHDSACASA-N 0 0 285.730 3.862 50 30 CHEARN C=CCOc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000002999584 567158490 /nfs/dbraw/zinc/15/84/90/567158490.db2.gz RLHPIBCEINBSOF-DHZHZOJOSA-N 0 0 277.370 3.581 50 30 CHEARN N#C[C@@H](C(=O)c1cc(F)c(F)cc1Cl)c1ccccn1 ZINC000003171839 567162521 /nfs/dbraw/zinc/16/25/21/567162521.db2.gz PQKMHPXJDLUXDU-SECBINFHSA-N 0 0 292.672 3.503 50 30 CHEARN CN(CCCNc1cccc(F)c1C#N)c1ccccc1 ZINC000057797492 567163579 /nfs/dbraw/zinc/16/35/79/567163579.db2.gz XOXVDHOAMFMDMO-UHFFFAOYSA-N 0 0 283.350 3.636 50 30 CHEARN N#Cc1ccc(COC(=O)CCC2CCCC2)cc1 ZINC000003250938 567166206 /nfs/dbraw/zinc/16/62/06/567166206.db2.gz SNKNSABWHKYMHF-UHFFFAOYSA-N 0 0 257.333 3.572 50 30 CHEARN C[C@H](c1cccc(Cl)c1)N(C)c1ccc(C#N)cn1 ZINC000058003360 567167967 /nfs/dbraw/zinc/16/79/67/567167967.db2.gz FEYSZHOPESIQFE-LLVKDONJSA-N 0 0 271.751 3.804 50 30 CHEARN C[C@@H](C#N)OC(=O)c1ccccc1Oc1ccccc1 ZINC000003310704 567168237 /nfs/dbraw/zinc/16/82/37/567168237.db2.gz AIEVWABUQZNAGA-LBPRGKRZSA-N 0 0 267.284 3.548 50 30 CHEARN Cc1ccsc1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000003286452 567168725 /nfs/dbraw/zinc/16/87/25/567168725.db2.gz QTSZUVFWAANFQW-UHFFFAOYSA-N 0 0 288.397 3.731 50 30 CHEARN Cc1[nH]c2ccccc2c1/C=C/C(=O)c1ccncc1 ZINC000004006505 567182292 /nfs/dbraw/zinc/18/22/92/567182292.db2.gz LKXOPRJGYYWDEI-VOTSOKGWSA-N 0 0 262.312 3.767 50 30 CHEARN CCN1c2ccccc2S/C1=C/C=C(C(C)=O)C(C)=O ZINC000004117553 567187892 /nfs/dbraw/zinc/18/78/92/567187892.db2.gz TWMFLRXNNMQWSM-MHWRWJLKSA-N 0 0 287.384 3.564 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccccc2F)c(OC)c1 ZINC000004247292 567192426 /nfs/dbraw/zinc/19/24/26/567192426.db2.gz DDEGWQCQTFQKBQ-JXMROGBWSA-N 0 0 286.302 3.739 50 30 biogenic CHEARN C=CCCC(=O)N1CCS[C@@H](c2ccccc2F)CC1 ZINC000219079757 567192680 /nfs/dbraw/zinc/19/26/80/567192680.db2.gz SDAZHCMTBLIMNH-OAHLLOKOSA-N 0 0 293.407 3.799 50 30 CHEARN COc1ccc(/C=C/C(=O)c2cc(C)ccc2O)c(OC)c1 ZINC000004252589 567193008 /nfs/dbraw/zinc/19/30/08/567193008.db2.gz GBECLVFJNGNKHY-RMKNXTFCSA-N 0 0 298.338 3.614 50 30 biogenic CHEARN COc1ccc2sc(Nc3ccccc3C#N)nc2c1 ZINC000004272549 567193260 /nfs/dbraw/zinc/19/32/60/567193260.db2.gz APBVCSPLPOOSHZ-UHFFFAOYSA-N 0 0 281.340 3.920 50 30 CHEARN CSc1ccc([C@H](C)Nc2ccc(C#N)cn2)cc1 ZINC000042102802 567204308 /nfs/dbraw/zinc/20/43/08/567204308.db2.gz SMLQPKXAHIXLJF-NSHDSACASA-N 0 0 269.373 3.848 50 30 CHEARN C[C@H](CC#N)N(C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000063094807 567220279 /nfs/dbraw/zinc/22/02/79/567220279.db2.gz NVYKRIODZBEWGS-MRVPVSSYSA-N 0 0 286.162 3.759 50 30 CHEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1 ZINC000000070020 567817668 /nfs/dbraw/zinc/81/76/68/567817668.db2.gz QYTJDCMWDKBJFO-NTCAYCPXSA-N 0 0 264.324 3.908 50 30 biogenic,in-vitro CHEARN C[C@H]1CC(C)(C)C[C@]1(C#N)Nc1ccc(CC#N)cc1 ZINC000000094642 567818023 /nfs/dbraw/zinc/81/80/23/567818023.db2.gz OQSYYHSHARAGET-SUMWQHHRSA-N 0 0 267.376 3.883 50 30 CHEARN COc1ccc(/C=C2\Cc3ccccc3C2=O)cc1 ZINC000000104806 567818534 /nfs/dbraw/zinc/81/85/34/567818534.db2.gz VBOMEZWDBOXOKE-GXDHUFHOSA-N 0 0 250.297 3.518 50 30 CHEARN CSc1nc(/C=N/c2ccc(C)cc2)ccc1C#N ZINC000000123606 567819028 /nfs/dbraw/zinc/81/90/28/567819028.db2.gz GUGQCKCUCABCLD-LICLKQGHSA-N 0 0 267.357 3.734 50 30 CHEARN CCOC(=O)c1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000000131087 567819408 /nfs/dbraw/zinc/81/94/08/567819408.db2.gz PVWSWSYITWEMTE-GZTJUZNOSA-N 0 0 298.298 3.522 50 30 CHEARN FC(F)(F)c1cccc(/N=C/c2cccnc2)c1 ZINC000000137024 567819720 /nfs/dbraw/zinc/81/97/20/567819720.db2.gz HZUUQMJEAWZJQF-GIJQJNRQSA-N 0 0 250.223 3.851 50 30 CHEARN Cc1ccccc1OC1=C(Cl)C(=O)c2ccccc2C1=O ZINC000000162530 567820837 /nfs/dbraw/zinc/82/08/37/567820837.db2.gz HBBODWBSVPENGZ-UHFFFAOYSA-N 0 0 298.725 3.903 50 30 CHEARN CC1(C)Cc2ccccc2C(Nc2ccccc2)=N1 ZINC000000194297 567822261 /nfs/dbraw/zinc/82/22/61/567822261.db2.gz LAICBPBGQJRLLM-UHFFFAOYSA-N 0 0 250.345 3.689 50 30 CHEARN CCOc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000243094 567823054 /nfs/dbraw/zinc/82/30/54/567823054.db2.gz JWQQPNONJQQELE-LFIBNONCSA-N 0 0 270.288 3.744 50 30 CHEARN O=C1CCCC2=C1Sc1ccc(Cl)cc1N2 ZINC000000287009 567823907 /nfs/dbraw/zinc/82/39/07/567823907.db2.gz QWFZWSFGFWYAHQ-UHFFFAOYSA-N 0 0 251.738 3.822 50 30 CHEARN COC12c3ccccc3C(C[C@@H]1C#N)c1ccccc12 ZINC000000400599 567829320 /nfs/dbraw/zinc/82/93/20/567829320.db2.gz BDDYWZITOVMIRJ-QCGKTTIDSA-N 0 0 261.324 3.565 50 30 CHEARN Cc1ccc(NC=C2C(=O)CC(C)(C)CC2=O)c(C)c1 ZINC000000436518 567829854 /nfs/dbraw/zinc/82/98/54/567829854.db2.gz JQRGCEUKSUSXPB-UHFFFAOYSA-N 0 0 271.360 3.557 50 30 CHEARN COc1ccc(/N=C/c2ccc(Cl)s2)cn1 ZINC000000563795 567833683 /nfs/dbraw/zinc/83/36/83/567833683.db2.gz WPENOOVXCCFKMJ-NTUHNPAUSA-N 0 0 252.726 3.556 50 30 CHEARN C(=C/c1ccccc1)\C=N\N1CCN(c2ccccc2)CC1 ZINC000001743223 567843161 /nfs/dbraw/zinc/84/31/61/567843161.db2.gz DRZKQZGSCHQABC-ADCWSOHQSA-N 0 0 291.398 3.508 50 30 CHEARN O=C(/C=C/c1ncc[nH]1)c1cc2cc(Cl)ccc2o1 ZINC000071888701 567843399 /nfs/dbraw/zinc/84/33/99/567843399.db2.gz WPIMAARKBHGXQS-DUXPYHPUSA-N 0 0 272.691 3.705 50 30 CHEARN CCCCCCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002058281 567844455 /nfs/dbraw/zinc/84/44/55/567844455.db2.gz PGTBXBGEDDWOAV-UHFFFAOYSA-N 0 0 298.770 3.948 50 30 CHEARN CCOc1ccccc1/N=C/c1cccc(OC)c1O ZINC000002167600 567844738 /nfs/dbraw/zinc/84/47/38/567844738.db2.gz PISFPFQKTCVUPR-GZTJUZNOSA-N 0 0 271.316 3.550 50 30 CHEARN CCCN(CCC#N)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002167201 567844920 /nfs/dbraw/zinc/84/49/20/567844920.db2.gz IDVWCJHCGPPDDX-UHFFFAOYSA-N 0 0 299.296 3.863 50 30 CHEARN COc1cccc(C(=O)[C@H](CCC#N)c2ccccc2)c1 ZINC000002159924 567844945 /nfs/dbraw/zinc/84/49/45/567844945.db2.gz JDUAUOIGNYOCGG-QGZVFWFLSA-N 0 0 279.339 3.965 50 30 CHEARN COc1ccc(/C=C/C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000002581802 567848736 /nfs/dbraw/zinc/84/87/36/567848736.db2.gz RNSUHTAEBYEHIU-SNAWJCMRSA-N 0 0 290.318 3.714 50 30 CHEARN CC1(C)CSC(Nc2ccc(F)c(Cl)c2)=N1 ZINC000003308233 567852393 /nfs/dbraw/zinc/85/23/93/567852393.db2.gz TUSRGLUIQAXQSV-UHFFFAOYSA-N 0 0 258.749 3.582 50 30 CHEARN O=[N+]([O-])c1ccccc1N=NC=CCc1ccccc1 ZINC000003898876 567854360 /nfs/dbraw/zinc/85/43/60/567854360.db2.gz UOBWOFALILUNPU-LVEAOLTQSA-N 0 0 267.288 3.706 50 30 CHEARN N#CCn1c2ccccc2nc1SCc1ccc(F)cc1 ZINC000004082558 567855154 /nfs/dbraw/zinc/85/51/54/567855154.db2.gz LXRNJBLOAMOLHI-UHFFFAOYSA-N 0 0 297.358 3.991 50 30 CHEARN O=C(/C=C/c1ccc(Br)cc1)c1ccco1 ZINC000004152229 567855895 /nfs/dbraw/zinc/85/58/95/567855895.db2.gz FLNKMHRHZKBOHW-VMPITWQZSA-N 0 0 277.117 3.938 50 30 CHEARN O=C(/C=C/c1ccc2nccnc2c1)c1cccs1 ZINC000004280302 567856553 /nfs/dbraw/zinc/85/65/53/567856553.db2.gz BGXBGJHLEURXJZ-GQCTYLIASA-N 0 0 266.325 3.587 50 30 CHEARN O=C(C1=C(O)C(=Cc2cccc(O)c2)CCC1)C(F)(F)F ZINC000004397255 567857360 /nfs/dbraw/zinc/85/73/60/567857360.db2.gz HHAHQKPPDRWHNC-BCBKQYOUSA-N 0 0 298.260 3.903 50 30 CHEARN CC(C)(C)c1ccc([C@H]2CC(=O)NC3=C2C(=O)CCC3)cc1 ZINC000004502163 567857883 /nfs/dbraw/zinc/85/78/83/567857883.db2.gz DQIFQVVECCGUSN-CQSZACIVSA-N 0 0 297.398 3.595 50 30 CHEARN Cc1cccc(C)c1C=C1C(=O)c2ccccc2C1=O ZINC000004655743 567858689 /nfs/dbraw/zinc/85/86/89/567858689.db2.gz KDZBTGNCKZSBOH-UHFFFAOYSA-N 0 0 262.308 3.766 50 30 CHEARN O=C(/C=C/N1CCCCC1)c1ccc(Br)cc1 ZINC000002883515 567860773 /nfs/dbraw/zinc/86/07/73/567860773.db2.gz LXRXSABOVXHRIN-DHZHZOJOSA-N 0 0 294.192 3.631 50 30 CHEARN CO/N=C/c1ccc(-c2cc(C(F)(F)F)ccn2)cc1 ZINC000022873207 567861154 /nfs/dbraw/zinc/86/11/54/567861154.db2.gz STXMSQNKRAANNI-DJKKODMXSA-N 0 0 280.249 3.748 50 30 CHEARN C/C(=N\OCO/N=C(/C)c1ccccc1)c1ccccc1 ZINC000012378740 567863228 /nfs/dbraw/zinc/86/32/28/567863228.db2.gz PPLAOTVRDZHHLS-KPNKYRRCSA-N 0 0 282.343 3.826 50 30 CHEARN Cc1ccc(C2=NOC(=O)/C2=C\C=C\c2ccccc2)cc1 ZINC000012730114 567863964 /nfs/dbraw/zinc/86/39/64/567863964.db2.gz OCPXVDAZLOMXLU-WIXUPIFPSA-N 0 0 289.334 3.896 50 30 CHEARN N#Cc1ccc(CSc2cnc3ccccc3n2)cc1 ZINC000004393715 567864331 /nfs/dbraw/zinc/86/43/31/567864331.db2.gz CJGUCIRGUSHSQG-UHFFFAOYSA-N 0 0 277.352 3.794 50 30 CHEARN CC(=NNc1cccc2cccnc21)c1ccccc1O ZINC000013122657 567864731 /nfs/dbraw/zinc/86/47/31/567864731.db2.gz CMMMSEIGVZJLMS-XDHOZWIPSA-N 0 0 277.327 3.777 50 30 CHEARN Cc1ccc(C(=O)/N=C2\C=C(C(C)C)C(=O)C=C2C)cc1 ZINC000013115232 567864923 /nfs/dbraw/zinc/86/49/23/567864923.db2.gz CQZRFXNAGTXDIN-KNTRCKAVSA-N 0 0 281.355 3.688 50 30 biogenic CHEARN CN1N=C(C(C)(C)C)CS/C1=N/c1ccccc1 ZINC000013659139 567866601 /nfs/dbraw/zinc/86/66/01/567866601.db2.gz JCVQBVMRFDMTPQ-FYWRMAATSA-N 0 0 261.394 3.755 50 30 CHEARN CC(C)[C@](C)(C#N)NC(=O)c1cccc(Cl)c1Cl ZINC000032735981 567867965 /nfs/dbraw/zinc/86/79/65/567867965.db2.gz HOXHEMGLCOECKP-ZDUSSCGKSA-N 0 0 285.174 3.661 50 30 CHEARN Cc1cc(C)c(NC2=CC(=O)CC(C)(C)C2)c(C#N)c1 ZINC000013771841 567868071 /nfs/dbraw/zinc/86/80/71/567868071.db2.gz HUYYFZOLSHLWDH-UHFFFAOYSA-N 0 0 268.360 3.860 50 30 CHEARN COc1ccccc1/N=C/C=C1OC(C)(C)C(C)(C)O1 ZINC000015961409 567871663 /nfs/dbraw/zinc/87/16/63/567871663.db2.gz PKYSJTPAHAVCTL-GZTJUZNOSA-N 0 0 275.348 3.843 50 30 CHEARN Cc1nc(C)c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000016737389 567873733 /nfs/dbraw/zinc/87/37/33/567873733.db2.gz WWFLHMBYZZPPLR-VOTSOKGWSA-N 0 0 288.328 3.564 50 30 CHEARN O=C1CCCCC1=CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000018141132 567876526 /nfs/dbraw/zinc/87/65/26/567876526.db2.gz ZVCXFQYSMALWSA-HJWRWDBZSA-N 0 0 280.711 3.687 50 30 CHEARN O/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000018251330 567876907 /nfs/dbraw/zinc/87/69/07/567876907.db2.gz KTAKHMWXBCARFS-CXUHLZMHSA-N 0 0 261.708 3.727 50 30 CHEARN O=C1/C(=C/c2cccc(Cl)c2Cl)N2CCC1CC2 ZINC000019879887 567879734 /nfs/dbraw/zinc/87/97/34/567879734.db2.gz FDHVPIOJIPGSCQ-WQLSENKSSA-N 0 0 282.170 3.629 50 30 CHEARN O=C(Cc1coc2ccc3ccccc3c12)Nc1nc[nH]n1 ZINC000026263637 567882869 /nfs/dbraw/zinc/88/28/69/567882869.db2.gz WLOMBLSDDNQJRO-UHFFFAOYSA-N 0 0 292.298 3.535 50 30 CHEARN Clc1ccc(C=Nc2ccc3n[nH]cc3c2)cc1 ZINC000004598781 567892263 /nfs/dbraw/zinc/89/22/63/567892263.db2.gz KAVXPFPYCRLHPI-LZYBPNLTSA-N 0 0 255.708 3.967 50 30 CHEARN CCC[C@@H](C#N)NC(=O)/C=C/c1c(CC)oc2ccccc21 ZINC000058165809 567895275 /nfs/dbraw/zinc/89/52/75/567895275.db2.gz VSJNANLMWQNXHB-NHAQELONSA-N 0 0 296.370 3.817 50 30 CHEARN O=C(/C=C/c1csnn1)c1c[nH]c2cc(Cl)ccc12 ZINC000058246724 567896048 /nfs/dbraw/zinc/89/60/48/567896048.db2.gz VJRVYKOFSNAQLD-DUXPYHPUSA-N 0 0 289.747 3.569 50 30 CHEARN CCCCCCCCSc1ncnc2[nH]cnc21 ZINC000060188511 567896756 /nfs/dbraw/zinc/89/67/56/567896756.db2.gz YUEJEKKOQIRLNK-UHFFFAOYSA-N 0 0 264.398 3.806 50 30 CHEARN N#CCC[C@H](C#N)COc1cnc2ccc(Cl)cc2c1 ZINC000284055118 567901177 /nfs/dbraw/zinc/90/11/77/567901177.db2.gz SQJKUTFYRRMPPW-LLVKDONJSA-N 0 0 285.734 3.711 50 30 CHEARN CCc1ccc(/C(C)=N/NC(=S)Nc2ccccc2)cc1 ZINC000004688125 567901841 /nfs/dbraw/zinc/90/18/41/567901841.db2.gz IUHZGOUFHCZOIP-CPNJWEJPSA-N 0 0 297.427 3.960 50 30 CHEARN C[C@H]1CCC[C@@H](NC(=O)c2ccccc2SCC#N)C1 ZINC000033183859 567901878 /nfs/dbraw/zinc/90/18/78/567901878.db2.gz BZSPTDBNORWIMI-QWHCGFSZSA-N 0 0 288.416 3.611 50 30 CHEARN C[C@@H](c1cccs1)N(C)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000033235526 567902281 /nfs/dbraw/zinc/90/22/81/567902281.db2.gz FTJGTAJOGUPTPG-LXKVQUBZSA-N 0 0 296.395 3.853 50 30 CHEARN Cc1ccc(-c2nc(C#N)c(NCc3ccco3)o2)cc1 ZINC000000037882 567905588 /nfs/dbraw/zinc/90/55/88/567905588.db2.gz JOSDFZPNROPWLW-UHFFFAOYSA-N 0 0 279.299 3.727 50 30 CHEARN N#Cc1c(NC(=O)/C=C\c2ccco2)sc2c1CCCC2 ZINC000033286953 567907062 /nfs/dbraw/zinc/90/70/62/567907062.db2.gz SDFIOFKDADNBDN-FPLPWBNLSA-N 0 0 298.367 3.743 50 30 CHEARN Cc1ccc2[nH]c(=NN=Cc3ccccc3O)sc2c1 ZINC000098086920 567907411 /nfs/dbraw/zinc/90/74/11/567907411.db2.gz SSVKBJHKIVFPDJ-SXGWCWSVSA-N 0 0 283.356 3.756 50 30 CHEARN N#CC(=NNc1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000100480545 567913306 /nfs/dbraw/zinc/91/33/06/567913306.db2.gz XUVHXSZZCICDTF-XMHGGMMESA-N 0 0 283.718 3.514 50 30 CHEARN Cc1ccccc1NN=C(C#N)C(=O)c1ccccc1Cl ZINC000103743936 567915772 /nfs/dbraw/zinc/91/57/72/567915772.db2.gz FTWKHOHJRRYQRY-HMMYKYKNSA-N 0 0 297.745 3.823 50 30 CHEARN CCSc1cc(C(=O)Nc2c(C)ccnc2C)ccn1 ZINC000328595372 567923094 /nfs/dbraw/zinc/92/30/94/567923094.db2.gz SNYMZVCOJQHHMK-UHFFFAOYSA-N 0 0 287.388 3.842 50 30 CHEARN CCOC(=O)c1cc(C#N)c(SC)nc1-c1ccccc1 ZINC000000123414 567923490 /nfs/dbraw/zinc/92/34/90/567923490.db2.gz VTQCUDKZSNSMTR-UHFFFAOYSA-N 0 0 298.367 3.519 50 30 CHEARN Cc1sc(/N=C/c2ccc(O)cc2)c(C#N)c1C ZINC000000244984 567925345 /nfs/dbraw/zinc/92/53/45/567925345.db2.gz HEKODQHKJVMBJV-LZYBPNLTSA-N 0 0 256.330 3.693 50 30 CHEARN Clc1nc2sccn2c1/C=N/C1CCCCC1 ZINC000100329212 567927253 /nfs/dbraw/zinc/92/72/53/567927253.db2.gz URRSHIFXRXHDHH-RIYZIHGNSA-N 0 0 267.785 3.801 50 30 CHEARN C=CCn1c(=O)c(-c2ccccc2)c(O)c2ccccc21 ZINC000100672019 567928385 /nfs/dbraw/zinc/92/83/85/567928385.db2.gz YWWXWLRUZYYONF-UHFFFAOYSA-N 0 0 277.323 3.560 50 30 CHEARN C=CCn1c(=S)[nH]nc1[C@H](C)Oc1ccc(C)c(C)c1 ZINC000002526665 567930238 /nfs/dbraw/zinc/93/02/38/567930238.db2.gz SNSGXEXHULQKRB-LBPRGKRZSA-N 0 0 289.404 3.884 50 30 CHEARN Cc1nc([C@H]2CCCN2c2cccc(F)c2C#N)cs1 ZINC000275066386 567933852 /nfs/dbraw/zinc/93/38/52/567933852.db2.gz XPTRDXCBEMMDFF-OAHLLOKOSA-N 0 0 287.363 3.804 50 30 CHEARN N#Cc1c(Cl)nc(Cl)c(Cl)c1N1CCCCC1 ZINC000018271066 567940848 /nfs/dbraw/zinc/94/08/48/567940848.db2.gz HPKOZSIHEUSTSD-UHFFFAOYSA-N 0 0 290.581 3.904 50 30 CHEARN Cc1ccc(C(=O)C=C2Nc3ccccc3N2)cc1 ZINC000101483968 567941190 /nfs/dbraw/zinc/94/11/90/567941190.db2.gz AOUXSWPSYIOAKB-UHFFFAOYSA-N 0 0 250.301 3.557 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000102664098 567941778 /nfs/dbraw/zinc/94/17/78/567941778.db2.gz CLBYJZSPPMBDDF-XGICHPGQSA-N 0 0 295.338 3.550 50 30 CHEARN C[C@@H]1C[C@@H](C)CN(c2oc(-c3cccs3)nc2C#N)C1 ZINC000000551190 567942967 /nfs/dbraw/zinc/94/29/67/567942967.db2.gz PYGOOUQVAULJMR-GHMZBOCLSA-N 0 0 287.388 3.757 50 30 CHEARN O=C1C=C(N2CCCCC2)C(=O)c2cc3ccccc3cc21 ZINC000000552966 567943075 /nfs/dbraw/zinc/94/30/75/567943075.db2.gz YXJAULBYDJKCPK-UHFFFAOYSA-N 0 0 291.350 3.589 50 30 CHEARN O=C(C=CNc1cccc(O)c1)c1ccc(Cl)cc1 ZINC000104263167 567943442 /nfs/dbraw/zinc/94/34/42/567943442.db2.gz GLSYIJXJSHYMCQ-HJWRWDBZSA-N 0 0 273.719 3.854 50 30 CHEARN Cc1ccc(C(=O)C=CNc2ccc3c(c2)OCO3)cc1C ZINC000044843945 567945950 /nfs/dbraw/zinc/94/59/50/567945950.db2.gz GKJMZGUYAUQSDQ-BQYQJAHWSA-N 0 0 295.338 3.841 50 30 CHEARN Cc1cccc(NC=CC(=O)c2ccc3c(c2)OCO3)c1 ZINC000044842335 567946009 /nfs/dbraw/zinc/94/60/09/567946009.db2.gz WXLJYPPBMZLMNH-BQYQJAHWSA-N 0 0 281.311 3.532 50 30 CHEARN Cc1ccc(C(=O)C=CNc2ccccc2C#N)cc1C ZINC000044843965 567946140 /nfs/dbraw/zinc/94/61/40/567946140.db2.gz RZYVZGIIBKGKLN-MDZDMXLPSA-N 0 0 276.339 3.984 50 30 CHEARN CCOc1ccc(C(=O)/C=C/c2ccc(O)c(OC)c2)cc1 ZINC000023164472 570251111 /nfs/dbraw/zinc/25/11/11/570251111.db2.gz DVLWZQWKCPDAMB-ONNFQVAWSA-N 0 0 298.338 3.696 50 30 CHEARN COC(=O)c1ccc(-c2ccc(C#N)c(Cl)c2)cc1 ZINC000085210214 570262317 /nfs/dbraw/zinc/26/23/17/570262317.db2.gz UZKKNFVNRRMTGV-UHFFFAOYSA-N 0 0 271.703 3.665 50 30 CHEARN N#Cc1cc2c(nc1SCc1ccccc1F)CCC2 ZINC000000051000 570271342 /nfs/dbraw/zinc/27/13/42/570271342.db2.gz BINBNWBWZODGCC-UHFFFAOYSA-N 0 0 284.359 3.873 50 30 CHEARN N#CCCN(Cc1ccco1)Cc1cccc2cccnc21 ZINC000078993210 570272940 /nfs/dbraw/zinc/27/29/40/570272940.db2.gz PISGQZBAXMYNEB-UHFFFAOYSA-N 0 0 291.354 3.744 50 30 CHEARN Cc1ccccc1OCc1nc(C#N)c(NCC(C)C)o1 ZINC000000619098 570300880 /nfs/dbraw/zinc/30/08/80/570300880.db2.gz BIJRITMXIJKKNR-UHFFFAOYSA-N 0 0 285.347 3.502 50 30 CHEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2O ZINC000238901809 570319986 /nfs/dbraw/zinc/31/99/86/570319986.db2.gz MUMGGOZAMZWBJJ-QMROVXIMSA-N 0 0 288.431 3.879 50 30 biogenic,investigational CHEARN N#CCc1cc(Cl)cc(OC(F)F)c1Cl ZINC000263624222 570325712 /nfs/dbraw/zinc/32/57/12/570325712.db2.gz OLDBBJLSWDADDQ-UHFFFAOYSA-N 0 0 252.047 3.661 50 30 CHEARN C=C(Br)CCc1cccc(OC)c1OC ZINC000043208784 570331040 /nfs/dbraw/zinc/33/10/40/570331040.db2.gz GYWFFAJWDLDNQT-UHFFFAOYSA-N 0 0 271.154 3.545 50 30 CHEARN C=C(C)COc1cccc(CN(C)[C@H](C)c2ccncn2)c1 ZINC000063846264 570334953 /nfs/dbraw/zinc/33/49/53/570334953.db2.gz RVBIZBHERXRUSF-OAHLLOKOSA-N 0 0 297.402 3.625 50 30 CHEARN C=CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S ZINC000012343646 570339700 /nfs/dbraw/zinc/33/97/00/570339700.db2.gz TVOFOCMAJKBKNF-DEKJKZHBSA-N 0 0 287.409 3.630 50 30 CHEARN CCCCCCCc1cc(O)c2ccccc2[n+]1[O-] ZINC000001529909 570345417 /nfs/dbraw/zinc/34/54/17/570345417.db2.gz NZPACTGCRWDXCJ-UHFFFAOYSA-N 0 0 259.349 3.692 50 30 in-vivo CHEARN C=CCSc1nnc(-c2ccccc2F)n1C1CC1 ZINC000012886878 570346623 /nfs/dbraw/zinc/34/66/23/570346623.db2.gz WTEZUMOGEOQDMM-UHFFFAOYSA-N 0 0 275.352 3.697 50 30 CHEARN CC(C)(C)[C@@](O)(C#Cc1ccccc1)c1ccccc1 ZINC000034543919 570347414 /nfs/dbraw/zinc/34/74/14/570347414.db2.gz QMLXYBCCWSQGBH-LJQANCHMSA-N 0 0 264.368 3.972 50 30 CHEARN N#C[C@H]1CCCc2ccccc2N1Cc1ccccc1 ZINC000146689621 570349756 /nfs/dbraw/zinc/34/97/56/570349756.db2.gz KGGWLAARRLDQIE-QGZVFWFLSA-N 0 0 262.356 3.922 50 30 CHEARN N#CCCCSCc1csc([C@@H]2CCCO2)n1 ZINC000190989422 570352909 /nfs/dbraw/zinc/35/29/09/570352909.db2.gz YUTNDPCCNUOIQZ-NSHDSACASA-N 0 0 268.407 3.532 50 30 CHEARN C=CCn1c(Cc2c(C)[nH]c3ccccc32)n[nH]c1=S ZINC000000476230 570369697 /nfs/dbraw/zinc/36/96/97/570369697.db2.gz FWXTZMOAIANYMQ-UHFFFAOYSA-N 0 0 284.388 3.507 50 30 CHEARN CC(NN(C)c1ccccc1)=C1C(=O)CC(C)(C)CC1=O ZINC000252641340 570377962 /nfs/dbraw/zinc/37/79/62/570377962.db2.gz ZCGLEGKLCQSRRW-UHFFFAOYSA-N 0 0 286.375 3.700 50 30 CHEARN N#Cc1c(F)cccc1NC(=O)c1ccc(Cl)cc1 ZINC000000139259 570386830 /nfs/dbraw/zinc/38/68/30/570386830.db2.gz LXZOBNMITFROBU-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN N#Cc1cccc(-c2nccn2CCc2ccc(F)cc2)c1 ZINC000067432314 570393720 /nfs/dbraw/zinc/39/37/20/570393720.db2.gz WMVCIAYCJOIECM-UHFFFAOYSA-N 0 0 291.329 3.804 50 30 CHEARN C=CCNc1oc(-c2cccc3ccccc32)nc1C#N ZINC000002417921 570393731 /nfs/dbraw/zinc/39/37/31/570393731.db2.gz HSHVTKVVHVMJSJ-UHFFFAOYSA-N 0 0 275.311 3.964 50 30 CHEARN CC1=NN([C@H](C#N)c2ccco2)[C@H](c2ccccc2)C1 ZINC000230056311 570398342 /nfs/dbraw/zinc/39/83/42/570398342.db2.gz RHVNKVLKZPTBPV-LSDHHAIUSA-N 0 0 265.316 3.667 50 30 CHEARN N#Cc1c(Cl)nc2c(c1-c1cccnc1)CCCC2 ZINC000041390745 570403647 /nfs/dbraw/zinc/40/36/47/570403647.db2.gz JYRPSSHLWQDHPL-UHFFFAOYSA-N 0 0 269.735 3.547 50 30 CHEARN C/C(=N/N=Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000954204916 613267530 /nfs/dbraw/zinc/26/75/30/613267530.db2.gz TZAMHKUTURYHSL-LGNYSFJJSA-N 0 0 265.360 3.596 50 30 CHEARN C=CCO[C@@H](C)C(=O)N[C@H](CCC)c1ccc(F)cc1F ZINC000079102280 1125751916 /nfs/dbraw/zinc/75/19/16/1125751916.db2.gz QCTMVCOXTNQULM-XHDPSFHLSA-N 0 0 297.345 3.513 50 30 CHEARN C=CCSCC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000222237909 1125776612 /nfs/dbraw/zinc/77/66/12/1125776612.db2.gz SXDLXNCQHGQFLO-BLIJAFNYSA-N 0 0 287.428 3.610 50 30 CHEARN Cc1csc(=NC(C)C)n1N=C[C@@H](C)c1ccccc1 ZINC000254559071 1127114153 /nfs/dbraw/zinc/11/41/53/1127114153.db2.gz VHWALAWRLUPVJM-CYBMUJFWSA-N 0 0 287.432 3.805 50 30 CHEARN CCN(CC)c1ccc(C=Nc2ccc(O)cc2)c(O)c1 ZINC000249840312 1127321712 /nfs/dbraw/zinc/32/17/12/1127321712.db2.gz SIDRCSZRVYBXIA-UHFFFAOYSA-N 0 0 284.359 3.695 50 30 CHEARN N#Cc1cccc(SCc2nccn2CC(F)(F)F)c1 ZINC000089780784 1127919327 /nfs/dbraw/zinc/91/93/27/1127919327.db2.gz YQHJGMGNDPRQCQ-UHFFFAOYSA-N 0 0 297.305 3.609 50 30 CHEARN COc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=NN)[C@@]3(C)CC[C@H]21 ZINC000254912259 1117878826 /nfs/dbraw/zinc/87/88/26/1117878826.db2.gz SOXXAISJFSZAOS-VXNCWWDNSA-N 0 0 298.430 3.866 50 30 CHEARN C=CCN(Cc1cccs1)C(=O)c1cc(Cl)c[nH]1 ZINC000032768826 1117981043 /nfs/dbraw/zinc/98/10/43/1117981043.db2.gz YUWPMGFRQMCMQK-UHFFFAOYSA-N 0 0 280.780 3.558 50 30 CHEARN N#Cc1cccc(/C=C\C(=O)c2ccc(F)cc2)c1 ZINC000098002997 1118925087 /nfs/dbraw/zinc/92/50/87/1118925087.db2.gz REBXUIKNCVXETR-WTKPLQERSA-N 0 0 251.260 3.593 50 30 CHEARN C1CC2(C1)CS/C(=N/C13CC4CC(CC(C4)C1)C3)O2 ZINC000023114884 1119260230 /nfs/dbraw/zinc/26/02/30/1119260230.db2.gz FXSHSTINWVTMNN-SAPNQHFASA-N 0 0 277.433 3.997 50 30 CHEARN O=[N+]([O-])c1ccccc1N=NCc1cccc(Cl)c1 ZINC000252460355 1119529083 /nfs/dbraw/zinc/52/90/83/1119529083.db2.gz DTZKZEVRJYDUML-UHFFFAOYSA-N 0 0 275.695 3.694 50 30 CHEARN CNc1ccc(/C=C\C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000096766200 1119981198 /nfs/dbraw/zinc/98/11/98/1119981198.db2.gz YZTAZPXNFYETGC-POHAHGRESA-N 0 0 296.326 3.841 50 30 CHEARN Cc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1O ZINC000180637083 1120001928 /nfs/dbraw/zinc/00/19/28/1120001928.db2.gz CLBBYRADWBOHHC-UHFFFAOYSA-N 0 0 294.354 3.754 50 30 CHEARN [N-]=[N+]=Nc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cn1 ZINC000108517125 1120752111 /nfs/dbraw/zinc/75/21/11/1120752111.db2.gz PAIZYWAGJGDTSV-UHFFFAOYSA-N 0 0 293.208 3.693 50 30 CHEARN CCN(CC)C(=S)S/C=C/C(=O)c1ccccc1 ZINC000004956570 1120931953 /nfs/dbraw/zinc/93/19/53/1120931953.db2.gz ZPTULWADMXKCHO-ZHACJKMWSA-N 0 0 279.430 3.743 50 30 CHEARN Cc1[nH]c2ccccc2c1/C(Cc1ccccc1)=N/O ZINC000012437307 1121017967 /nfs/dbraw/zinc/01/79/67/1121017967.db2.gz QGSGURFVMITLNU-KNTRCKAVSA-N 0 0 264.328 3.897 50 30 CHEARN C#CCCC1(CCC(=O)Nc2ccc3occc3c2)N=N1 ZINC000888096073 1121080393 /nfs/dbraw/zinc/08/03/93/1121080393.db2.gz JFVGQLSODSZBFH-UHFFFAOYSA-N 0 0 281.315 3.727 50 30 CHEARN N#Cc1ccc(Oc2ncnc3ccccc32)c(Cl)c1 ZINC000025004560 1121195061 /nfs/dbraw/zinc/19/50/61/1121195061.db2.gz CLCQJQFMUWIJRG-UHFFFAOYSA-N 0 0 281.702 3.947 50 30 CHEARN Oc1ccccc1C=NNc1ccccc1C(F)(F)F ZINC000254290227 1121678184 /nfs/dbraw/zinc/67/81/84/1121678184.db2.gz KAUXXEODCKEYGP-UHFFFAOYSA-N 0 0 280.249 3.857 50 30 CHEARN CC(C)C(Cl)=NOC(=O)Nc1cccc(F)c1 ZINC000073293044 1121722883 /nfs/dbraw/zinc/72/28/83/1121722883.db2.gz GHOSAJILDFXTRJ-XNTDXEJSSA-N 0 0 258.680 3.583 50 30 CHEARN N#Cc1cccnc1NCCC12CC3CC(CC(C3)C1)C2 ZINC000015164403 1121726469 /nfs/dbraw/zinc/72/64/69/1121726469.db2.gz VRDDECVKUPFJPH-UHFFFAOYSA-N 0 0 281.403 3.972 50 30 CHEARN CN1C=C/C(=C/C=C2/C=CC=CC2=O)c2ccccc21 ZINC000334157418 1122667748 /nfs/dbraw/zinc/66/77/48/1122667748.db2.gz SPUYYCFQLHACCM-HYQBVQLESA-N 0 0 261.324 3.655 50 30 CHEARN Cc1nc2sccn2c1C(=O)/C=C\c1cccs1 ZINC000048520755 1122718563 /nfs/dbraw/zinc/71/85/63/1122718563.db2.gz YAJASASCCSNOEI-PLNGDYQASA-N 0 0 274.370 3.662 50 30 CHEARN C=CCc1cc(C(=O)N(C)c2ccccc2)ccc1OC ZINC000013646162 1123552658 /nfs/dbraw/zinc/55/26/58/1123552658.db2.gz OMDCZQCEMIUZNV-UHFFFAOYSA-N 0 0 281.355 3.700 50 30 CHEARN C=CCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC000025726702 1124015491 /nfs/dbraw/zinc/01/54/91/1124015491.db2.gz XBDWMCQFRSUYGG-DHZHZOJOSA-N 0 0 279.748 3.562 50 30 CHEARN N#CC1(C(=O)Nc2cccc3c(Cl)nccc23)CCCC1 ZINC000585124805 1131315886 /nfs/dbraw/zinc/31/58/86/1131315886.db2.gz SPUZNDRBRBXFHN-UHFFFAOYSA-N 0 0 299.761 3.911 50 30 CHEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000004215042 1125387710 /nfs/dbraw/zinc/38/77/10/1125387710.db2.gz RSIHSRDYCUFFLA-DYKIIFRCSA-N 0 0 286.415 3.655 50 30 in-man CHEARN Cn1ncc2c1CC/C(=C\c1csc3ccccc13)C2=O ZINC000089745432 1129251362 /nfs/dbraw/zinc/25/13/62/1129251362.db2.gz NWAXNKHBFOONOE-DHZHZOJOSA-N 0 0 294.379 3.847 50 30 CHEARN CCOc1ccc(C(=O)/C=C\c2ccc(OC)c(O)c2)cc1 ZINC000097993419 1129636284 /nfs/dbraw/zinc/63/62/84/1129636284.db2.gz SBNCCEMUPIYIGH-WMZJFQQLSA-N 0 0 298.338 3.696 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(C)c(C)c2)cc1O ZINC000097993038 1129636314 /nfs/dbraw/zinc/63/63/14/1129636314.db2.gz UXSZLRVSUCTYIK-YVMONPNESA-N 0 0 282.339 3.914 50 30 CHEARN N#Cc1ccc(C=NNc2ccc3ccccc3n2)cc1 ZINC000254292242 1129680899 /nfs/dbraw/zinc/68/08/99/1129680899.db2.gz IBPAQJUFMRBBKD-UHFFFAOYSA-N 0 0 272.311 3.552 50 30 CHEARN O=[N+]([O-])c1cccc(NN=Cc2ccc3ncccc3c2)c1 ZINC000254446869 1129695167 /nfs/dbraw/zinc/69/51/67/1129695167.db2.gz OFBIQERJRIUHGU-UHFFFAOYSA-N 0 0 292.298 3.589 50 30 CHEARN Clc1cccc(C=NN=c2[nH]c3ccccc3o2)c1 ZINC000254611108 1129702668 /nfs/dbraw/zinc/70/26/68/1129702668.db2.gz QWNWXUSSUITHDG-UHFFFAOYSA-N 0 0 271.707 3.927 50 30 CHEARN S=C1N=C(c2ccccc2)CN1N=Cc1cccs1 ZINC000254833622 1129712817 /nfs/dbraw/zinc/71/28/17/1129712817.db2.gz IEXVIZYMDZIMLI-UHFFFAOYSA-N 0 0 285.397 3.783 50 30 CHEARN COc1ccc2[nH]cc(C(=O)/C=C/c3scnc3C)c2c1 ZINC000078694461 1130217867 /nfs/dbraw/zinc/21/78/67/1130217867.db2.gz ZYENOVPRVVGURO-AATRIKPKSA-N 0 0 298.367 3.838 50 30 CHEARN Cc1ncsc1/C=C/C(=O)c1ccccc1-n1cccn1 ZINC000078693749 1130217971 /nfs/dbraw/zinc/21/79/71/1130217971.db2.gz GYOJJKBOKLYGPS-BQYQJAHWSA-N 0 0 295.367 3.533 50 30 CHEARN C=C1CCC(NC(=O)CCc2ccc(F)c(C)c2)CC1 ZINC000667618506 1130677302 /nfs/dbraw/zinc/67/73/02/1130677302.db2.gz HYDAQNOYTDCCHE-UHFFFAOYSA-N 0 0 275.367 3.682 50 30 CHEARN Cc1ccc(NC2=CC(=O)C(=O)c3ccccc32)c(C)c1 ZINC000100250868 230391784 /nfs/dbraw/zinc/39/17/84/230391784.db2.gz ZAGDPSPINVOXCU-UHFFFAOYSA-N 0 0 277.323 3.522 50 30 CHEARN N#Cc1ccc(NCc2cnc(C3CC3)s2)cc1 ZINC000095983156 185054467 /nfs/dbraw/zinc/05/44/67/185054467.db2.gz OIEQNIFACQPKLZ-UHFFFAOYSA-N 0 0 255.346 3.504 50 30 CHEARN CC(C)n1cc2c(n1)[C@H](NCc1ccc(C#N)cc1)CCC2 ZINC000096002626 185061738 /nfs/dbraw/zinc/06/17/38/185061738.db2.gz QIJXZNICISEHCQ-QGZVFWFLSA-N 0 0 294.402 3.503 50 30 CHEARN CC(=O)Nc1ccc(/C=C2\Cc3c(cccc3F)C2=O)cc1 ZINC000096032827 185067894 /nfs/dbraw/zinc/06/78/94/185067894.db2.gz YJWRZSFXACBQKU-UKTHLTGXSA-N 0 0 295.313 3.607 50 30 CHEARN COc1cc(C(=O)/C=C\c2ccc(F)c(F)c2)ccc1O ZINC000096792756 185114489 /nfs/dbraw/zinc/11/44/89/185114489.db2.gz ZVVPHQHLRMLTEN-UTCJRWHESA-N 0 0 290.265 3.575 50 30 CHEARN COc1ccc(C)cc1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000096891560 185125003 /nfs/dbraw/zinc/12/50/03/185125003.db2.gz PQLYKVBIENRKCQ-HJWRWDBZSA-N 0 0 277.323 3.771 50 30 CHEARN CC(C)C/N=C1/SCC(c2cccc(Cl)c2)=NN1C ZINC000096924923 185130785 /nfs/dbraw/zinc/13/07/85/185130785.db2.gz ORVROJRJWXWVRA-JQIJEIRASA-N 0 0 295.839 3.735 50 30 CHEARN N#CCCC[S@@](=O)Cc1c(Cl)cccc1Cl ZINC000097164039 185552343 /nfs/dbraw/zinc/55/23/43/185552343.db2.gz TZGBRSDEISAHCF-INIZCTEOSA-N 0 0 276.188 3.546 50 30 CHEARN N#Cc1cc2cc(-c3cccs3)oc2cc1C#N ZINC000085408885 179056028 /nfs/dbraw/zinc/05/60/28/179056028.db2.gz WOQUXDKGJIVUEZ-UHFFFAOYSA-N 0 0 250.282 3.905 50 30 CHEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1[C@@H]1O[C@@H]1C2=O ZINC000257345810 190037778 /nfs/dbraw/zinc/03/77/78/190037778.db2.gz JORKPPZTZOSXIM-UHPQUHDSSA-N 0 0 288.431 3.976 50 30 CHEARN O=C1c2ccccc2S/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000000063137 169523363 /nfs/dbraw/zinc/52/33/63/169523363.db2.gz PXHMYYSWROYWBS-ZROIWOOFSA-N 0 0 283.308 3.924 50 30 CHEARN O=C1C=C(Nc2ccc(Cl)cc2)C(=O)c2ccccc21 ZINC000000077289 169528196 /nfs/dbraw/zinc/52/81/96/169528196.db2.gz ZRDKVGHUNKZIOR-UHFFFAOYSA-N 0 0 283.714 3.715 50 30 CHEARN C=C(C)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000000093410 169533734 /nfs/dbraw/zinc/53/37/34/169533734.db2.gz SLCUQOIBWVWPTN-UHFFFAOYSA-N 0 0 272.279 3.528 50 30 CHEARN COc1ccc(O)c(/C=C2/Sc3ccccc3C2=O)c1 ZINC000000284085 169597087 /nfs/dbraw/zinc/59/70/87/169597087.db2.gz VBIQGRZYRBFPFV-OQLLNIDSSA-N 0 0 284.336 3.730 50 30 CHEARN COc1ccc(/C=N/c2sc(C)c(C)c2C#N)cc1 ZINC000000296039 169600292 /nfs/dbraw/zinc/60/02/92/169600292.db2.gz LKBUWXQSXWDENA-RQZCQDPDSA-N 0 0 270.357 3.996 50 30 CHEARN N#Cc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000000297387 169600572 /nfs/dbraw/zinc/60/05/72/169600572.db2.gz WSSONWRPMGRGPD-RQZCQDPDSA-N 0 0 285.690 3.870 50 30 CHEARN COc1ccc(CNC(=S)Nc2ccccc2F)cc1 ZINC000000455139 169645176 /nfs/dbraw/zinc/64/51/76/169645176.db2.gz QOWFNJRHGPDRLB-UHFFFAOYSA-N 0 0 290.363 3.732 50 30 CHEARN COc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O ZINC000000490614 169655237 /nfs/dbraw/zinc/65/52/37/169655237.db2.gz XRQSEZGWDUKPDJ-SXGWCWSVSA-N 0 0 266.296 3.620 50 30 biogenic CHEARN Cc1c(F)cccc1NC(=O)Nc1ccc(C#N)cc1 ZINC000051354513 184565676 /nfs/dbraw/zinc/56/56/76/184565676.db2.gz HAJFKCPZAOWQBW-UHFFFAOYSA-N 0 0 269.279 3.650 50 30 CHEARN Cc1ccccc1C1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000096405772 256770195 /nfs/dbraw/zinc/77/01/95/256770195.db2.gz IVUXFFNPABSSGL-INIZCTEOSA-N 0 0 281.403 3.618 50 30 CHEARN Cc1c(-c2cc(F)cc3cccnc32)cc(C#N)n1C ZINC000426407510 256861597 /nfs/dbraw/zinc/86/15/97/256861597.db2.gz ITENLZKCNVNWHI-UHFFFAOYSA-N 0 0 265.291 3.560 50 30 CHEARN CC(=O)NCc1ccc(C(=O)/C=C/c2cccc(C)c2)s1 ZINC000009219094 260035351 /nfs/dbraw/zinc/03/53/51/260035351.db2.gz FVKQOKTZCIXTCZ-SOFGYWHQSA-N 0 0 299.395 3.589 50 30 CHEARN CC1(C)CCC[C@]2(O[C@H]2c2ccc(Cl)cc2)C1=O ZINC000000546474 169666084 /nfs/dbraw/zinc/66/60/84/169666084.db2.gz RZJRQXASOLXLIZ-SWLSCSKDSA-N 0 0 264.752 3.929 50 30 CHEARN O=C1c2cc([N+](=O)[O-])ccc2CC/C1=C\c1ccc(O)cc1 ZINC000000999048 169685062 /nfs/dbraw/zinc/68/50/62/169685062.db2.gz HQPCYRNRNQFHJH-UKTHLTGXSA-N 0 0 295.294 3.513 50 30 CHEARN Fc1c(F)c(OC(F)(F)F)c(F)c(F)c1Cl ZINC000095215605 184947297 /nfs/dbraw/zinc/94/72/97/184947297.db2.gz FQAQMJGWOOVPKT-UHFFFAOYSA-N 0 0 268.515 3.795 50 30 CHEARN C=CCn1c2ccccc2nc1-c1cccnc1Cl ZINC000001386036 169698179 /nfs/dbraw/zinc/69/81/79/169698179.db2.gz LSLATZWQNULGKH-UHFFFAOYSA-N 0 0 269.735 3.938 50 30 CHEARN N#Cc1cnn2c1nccc2-c1ccc(Cl)c(Cl)c1 ZINC000001393363 169700153 /nfs/dbraw/zinc/70/01/53/169700153.db2.gz BOIIMOUIRJTBRT-UHFFFAOYSA-N 0 0 289.125 3.575 50 30 CHEARN N#Cc1cccc(/C=C\C(=O)c2ccnc(Cl)c2)c1 ZINC000222211789 130789325 /nfs/dbraw/zinc/78/93/25/130789325.db2.gz HXMGXWBAOCSROZ-PLNGDYQASA-N 0 0 268.703 3.503 50 30 CHEARN CCC(=O)/C(C)=C(\NC(=O)c1ccccc1)c1ccccc1 ZINC000002816576 169833995 /nfs/dbraw/zinc/83/39/95/169833995.db2.gz RGEYWSBHSPOPDR-JXAWBTAJSA-N 0 0 293.366 3.827 50 30 CHEARN C#CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C ZINC000003119791 169857819 /nfs/dbraw/zinc/85/78/19/169857819.db2.gz LUKAUOGWSZEEGC-UHFFFAOYSA-N 0 0 285.416 3.505 50 30 CHEARN CCC[C@](C)(O)C#C[C@@](C)(O)c1ccc2ccccc2c1 ZINC000003154478 169861183 /nfs/dbraw/zinc/86/11/83/169861183.db2.gz DXMABHSRXYIDRB-RBUKOAKNSA-N 0 0 282.383 3.602 50 30 CHEARN C[C@H]1Cc2ccccc2N1C1=CC(=O)CC(C)(C)C1 ZINC000003216871 169868526 /nfs/dbraw/zinc/86/85/26/169868526.db2.gz VAAORRNUAZHTSE-LBPRGKRZSA-N 0 0 255.361 3.711 50 30 CHEARN Cc1ccc(Cl)cc1NC(=O)c1ccc(C#N)cc1 ZINC000003430943 169887467 /nfs/dbraw/zinc/88/74/67/169887467.db2.gz XNNUNVPLVJPGLV-UHFFFAOYSA-N 0 0 270.719 3.772 50 30 CHEARN CN(C)c1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC000003895960 169921557 /nfs/dbraw/zinc/92/15/57/169921557.db2.gz PDKPRWFMRVBCOB-JLHYYAGUSA-N 0 0 251.329 3.649 50 30 biogenic CHEARN N#Cc1sc(NCc2cccc(Cl)c2)nc1Cl ZINC000004107384 169932751 /nfs/dbraw/zinc/93/27/51/169932751.db2.gz OQMONEKTLCOEPM-UHFFFAOYSA-N 0 0 284.171 3.934 50 30 CHEARN Nc1ccc(C(=O)/C=C/c2ccc(Br)o2)cc1 ZINC000004187960 169942073 /nfs/dbraw/zinc/94/20/73/169942073.db2.gz YGUKGHIUNSUYLL-FNORWQNLSA-N 0 0 292.132 3.520 50 30 CHEARN N#CCCN(Cc1cccs1)C(=O)Nc1ccccc1 ZINC000004325219 169957873 /nfs/dbraw/zinc/95/78/73/169957873.db2.gz YKDVLACDDYIDNB-UHFFFAOYSA-N 0 0 285.372 3.696 50 30 CHEARN O=C1c2ccccc2CC/C1=C\c1ccc2c(c1)OCO2 ZINC000004582833 169986865 /nfs/dbraw/zinc/98/68/65/169986865.db2.gz ZSWFGLVDMKTZIO-NTEUORMPSA-N 0 0 278.307 3.628 50 30 CHEARN COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc(C)cc2)c1C ZINC000004729788 170007047 /nfs/dbraw/zinc/00/70/47/170007047.db2.gz FRQVQZIKUPIBCG-MDZDMXLPSA-N 0 0 297.354 3.623 50 30 CHEARN Cc1ccc(CN=Nc2c(Cl)cncc2Cl)o1 ZINC000004738397 170008486 /nfs/dbraw/zinc/00/84/86/170008486.db2.gz IQWQWOQTOLZEGK-SYZQJQIISA-N 0 0 270.119 3.736 50 30 CHEARN C[C@H]1CCc2nc(N=NCc3ccccc3F)sc2C1 ZINC000004749565 170011374 /nfs/dbraw/zinc/01/13/74/170011374.db2.gz BZEZZWOJWYPLFO-HLGUWXJESA-N 0 0 289.379 3.853 50 30 CHEARN CCn1c(/C=N/c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000004786137 170016834 /nfs/dbraw/zinc/01/68/34/170016834.db2.gz KTMHVDBRDRZXRM-GZTJUZNOSA-N 0 0 294.314 3.715 50 30 CHEARN Cc1cc(C)cc(NC(=O)c2ccc(C#N)cc2F)c1 ZINC000004838379 170027067 /nfs/dbraw/zinc/02/70/67/170027067.db2.gz VOSRVTCJBOQXCT-UHFFFAOYSA-N 0 0 268.291 3.567 50 30 CHEARN N#Cc1ccc(OCCOc2cccc3cccnc32)cc1 ZINC000004841508 170028457 /nfs/dbraw/zinc/02/84/57/170028457.db2.gz LXVMHQBENMQHPR-UHFFFAOYSA-N 0 0 290.322 3.564 50 30 CHEARN C=CCOc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000004842618 170028970 /nfs/dbraw/zinc/02/89/70/170028970.db2.gz RFIQVEHWZVKXQY-UHFFFAOYSA-N 0 0 295.338 3.706 50 30 CHEARN C=CCOc1ccc(NC(=O)c2ccccc2F)cc1 ZINC000004855252 170031011 /nfs/dbraw/zinc/03/10/11/170031011.db2.gz JOGICFSSIBLQRN-UHFFFAOYSA-N 0 0 271.291 3.643 50 30 CHEARN Clc1nnc(N=NCc2cccs2)c2ccccc12 ZINC000004857574 170031747 /nfs/dbraw/zinc/03/17/47/170031747.db2.gz LVFGACYRKBBSQE-OVCLIPMQSA-N 0 0 288.763 3.791 50 30 CHEARN Cc1cc(C)cc(Nc2ccc([N+](=O)[O-])cc2C#N)c1 ZINC000004905778 170039280 /nfs/dbraw/zinc/03/92/80/170039280.db2.gz XGQYXWMGUBNOQL-UHFFFAOYSA-N 0 0 267.288 3.827 50 30 CHEARN CCN(CC)c1ccc(C=[NH+][N-]c2ccccc2)c(O)c1 ZINC000004992011 170051355 /nfs/dbraw/zinc/05/13/55/170051355.db2.gz VKZXHNORZJCJDH-QGOAFFKASA-N 0 0 283.375 3.684 50 30 CHEARN Cc1ccc(NC(=O)O/N=C\c2ccc(F)cc2)cc1 ZINC000004996505 170051751 /nfs/dbraw/zinc/05/17/51/170051751.db2.gz NVQONXZSWWCABJ-YVLHZVERSA-N 0 0 272.279 3.717 50 30 CHEARN N#CCSc1nc(-c2ccccc2)nc2ccccc21 ZINC000005007350 170054317 /nfs/dbraw/zinc/05/43/17/170054317.db2.gz JBVMLMHPHCOLAG-UHFFFAOYSA-N 0 0 277.352 3.912 50 30 CHEARN Cc1ccc(C)c(SCC(=O)Nc2cccc(C#N)c2)c1 ZINC000005019631 170056484 /nfs/dbraw/zinc/05/64/84/170056484.db2.gz OQXKAVCKLDIXPE-UHFFFAOYSA-N 0 0 296.395 3.906 50 30 CHEARN COc1ccccc1C=NN=c1[nH]c2ccccc2s1 ZINC000005024205 170057126 /nfs/dbraw/zinc/05/71/26/170057126.db2.gz UIMGGMPJDONFBG-MHWRWJLKSA-N 0 0 283.356 3.751 50 30 CHEARN Nc1ccccc1NC1=CC(=O)C[C@@H](c2cccs2)C1 ZINC000005137692 170070060 /nfs/dbraw/zinc/07/00/60/170070060.db2.gz KMDPYKBGADYFMV-NSHDSACASA-N 0 0 284.384 3.773 50 30 CHEARN CC(=O)C=C(C)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000005175642 170073702 /nfs/dbraw/zinc/07/37/02/170073702.db2.gz SYEUOMQFIJBEOY-QBFSEMIESA-N 0 0 279.339 3.822 50 30 CHEARN COc1cccc(/C=N/c2cc(F)ccc2C)c1O ZINC000005287292 170083084 /nfs/dbraw/zinc/08/30/84/170083084.db2.gz GTSGMCJKJUUWIE-RQZCQDPDSA-N 0 0 259.280 3.599 50 30 CHEARN CCOc1cccc(/C=N/c2ccc(C)cc2F)c1O ZINC000005288150 170083329 /nfs/dbraw/zinc/08/33/29/170083329.db2.gz WHKHHVUFTQAPOP-VCHYOVAHSA-N 0 0 273.307 3.989 50 30 CHEARN CCOc1cccc(/C=N/c2cc(C)ccc2F)c1O ZINC000005288291 170083407 /nfs/dbraw/zinc/08/34/07/170083407.db2.gz ZCMRJLAYVMQXLM-VCHYOVAHSA-N 0 0 273.307 3.989 50 30 CHEARN Cc1cc(C2=NNC3=C(C2)C(=O)C[C@@H](C)C3)ccc1Cl ZINC000005362050 170089639 /nfs/dbraw/zinc/08/96/39/170089639.db2.gz BGAHDUVMRXOICD-VIFPVBQESA-N 0 0 288.778 3.599 50 30 CHEARN N#Cc1cccc(C(=O)N[C@@H]2CCSc3ccccc32)c1 ZINC000005425872 170098104 /nfs/dbraw/zinc/09/81/04/170098104.db2.gz WWFHRTHVWZEWFS-OAHLLOKOSA-N 0 0 294.379 3.525 50 30 CHEARN C=CCn1cnc2sc(C)c(-c3ccccc3)c2c1=O ZINC000005458927 170101505 /nfs/dbraw/zinc/10/15/05/170101505.db2.gz RILDSYAUGFBSEG-UHFFFAOYSA-N 0 0 282.368 3.619 50 30 CHEARN Cc1ccc(Nc2ccc(C#N)cc2[N+](=O)[O-])cc1C ZINC000005687528 170129332 /nfs/dbraw/zinc/12/93/32/170129332.db2.gz KOVZRUFVNUWZPZ-UHFFFAOYSA-N 0 0 267.288 3.827 50 30 CHEARN CSc1cccc(Nc2ccc([N+](=O)[O-])cc2C#N)c1 ZINC000006250448 170185177 /nfs/dbraw/zinc/18/51/77/170185177.db2.gz PAPZWJPNMNXMCR-UHFFFAOYSA-N 0 0 285.328 3.932 50 30 CHEARN C=CCn1c(=S)[nH]nc1[C@@H](C)Oc1ccc(C)cc1 ZINC000006400938 170198350 /nfs/dbraw/zinc/19/83/50/170198350.db2.gz FPSUYMFRUVLWKW-LLVKDONJSA-N 0 0 275.377 3.575 50 30 CHEARN O=C1C[C@@H](c2ccco2)CC2=Nc3ccccc3N=CC12 ZINC000006498654 170206992 /nfs/dbraw/zinc/20/69/92/170206992.db2.gz WEOQQHOOSDUXHE-NSHDSACASA-N 0 0 278.311 3.808 50 30 CHEARN N#Cc1ccccc1COC(=O)c1ccccc1Cl ZINC000006708366 170231207 /nfs/dbraw/zinc/23/12/07/170231207.db2.gz VTOPZYNNFXAGAS-UHFFFAOYSA-N 0 0 271.703 3.569 50 30 CHEARN C=CCOc1cccc2c1cc(C(=O)NCCC)n2CC=C ZINC000006724656 170232504 /nfs/dbraw/zinc/23/25/04/170232504.db2.gz WLXFGQJRGGQIQJ-UHFFFAOYSA-N 0 0 298.386 3.532 50 30 CHEARN C=CCn1c(=S)[nH]nc1[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000006788750 170243971 /nfs/dbraw/zinc/24/39/71/170243971.db2.gz SNSGXEXHULQKRB-GFCCVEGCSA-N 0 0 289.404 3.884 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1 ZINC000006880478 170252322 /nfs/dbraw/zinc/25/23/22/170252322.db2.gz YTNJVVGCJHSGBM-UHFFFAOYSA-N 0 0 274.276 3.757 50 30 CHEARN Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc(OC(C)C)cc1 ZINC000006920995 170255300 /nfs/dbraw/zinc/25/53/00/170255300.db2.gz PMCHUYSIPHRBCD-DHZHZOJOSA-N 0 0 298.386 3.720 50 30 CHEARN COC(=O)c1ccc(/C=C/C(=O)c2ccccc2F)cc1 ZINC000007000281 170261286 /nfs/dbraw/zinc/26/12/86/170261286.db2.gz UXRMMVYRWSIYIN-DHZHZOJOSA-N 0 0 284.286 3.508 50 30 CHEARN COc1cc(C#N)ccc1OCCOc1cc(C)cc(C)c1 ZINC000007470575 170286429 /nfs/dbraw/zinc/28/64/29/170286429.db2.gz RWRHENWWIZPSGY-UHFFFAOYSA-N 0 0 297.354 3.642 50 30 CHEARN COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1O ZINC000007712430 170298607 /nfs/dbraw/zinc/29/86/07/170298607.db2.gz YVIVMDLWUCANJH-QHHAFSJGSA-N 0 0 290.265 3.575 50 30 CHEARN COc1ccccc1/C=C/C(=O)c1cccc(NC(C)=O)c1 ZINC000007744016 170300255 /nfs/dbraw/zinc/30/02/55/170300255.db2.gz YKQGGHIDSLEPDU-ZHACJKMWSA-N 0 0 295.338 3.550 50 30 CHEARN c1ccc2c(c1)CC(N=Nc1nc3ccccc3s1)C2 ZINC000007894767 170306355 /nfs/dbraw/zinc/30/63/55/170306355.db2.gz JMIZZLWCNKWBJI-UHFFFAOYSA-N 0 0 279.368 3.863 50 30 CHEARN C[C@H](NC(=O)c1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000008238831 170326356 /nfs/dbraw/zinc/32/63/56/170326356.db2.gz AQVKRKQXCZMDFK-LBPRGKRZSA-N 0 0 290.322 3.795 50 30 CHEARN Cc1ccc(F)cc1NC(=O)ON=C(Cl)C(C)C ZINC000008445346 170336574 /nfs/dbraw/zinc/33/65/74/170336574.db2.gz IPWGXHOJRNOZAV-WJDWOHSUSA-N 0 0 272.707 3.891 50 30 CHEARN C#CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000008570382 170341110 /nfs/dbraw/zinc/34/11/10/170341110.db2.gz DDIPOPUGCJRHPF-UHFFFAOYSA-N 0 0 299.757 3.913 50 30 CHEARN CC(CC(C)(C)C1CCCCC1)N=NC(N)=S ZINC000008670622 170344763 /nfs/dbraw/zinc/34/47/63/170344763.db2.gz GZHYISGBALYJAE-XNTDXEJSSA-N 0 0 255.431 3.603 50 30 CHEARN Cc1cccc(C)c1NC(=S)NCCc1ccccn1 ZINC000008687436 170345926 /nfs/dbraw/zinc/34/59/26/170345926.db2.gz SQZSFXDVTXHLQY-UHFFFAOYSA-N 0 0 285.416 3.639 50 30 CHEARN C=C(C)COc1ccc(NC(=O)c2ccccc2)cc1 ZINC000009812912 170385930 /nfs/dbraw/zinc/38/59/30/170385930.db2.gz UCRBORFTIJLZPH-UHFFFAOYSA-N 0 0 267.328 3.894 50 30 CHEARN C=C(C)COc1ccc(NC(=O)c2ccccc2OC)cc1 ZINC000009813199 170386109 /nfs/dbraw/zinc/38/61/09/170386109.db2.gz PABHANAEYKLUAD-UHFFFAOYSA-N 0 0 297.354 3.902 50 30 CHEARN C=CCOc1ccccc1NC(=O)CCc1ccccc1 ZINC000009814980 170386189 /nfs/dbraw/zinc/38/61/89/170386189.db2.gz OLYKPIYZGUIINV-UHFFFAOYSA-N 0 0 281.355 3.823 50 30 CHEARN COc1cc(C#N)ccc1OCCOc1cc(C)ccc1C ZINC000011955885 170461823 /nfs/dbraw/zinc/46/18/23/170461823.db2.gz UVOWZIHVNVKWOX-UHFFFAOYSA-N 0 0 297.354 3.642 50 30 CHEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3ccsc32)cc1 ZINC000012363612 170479867 /nfs/dbraw/zinc/47/98/67/170479867.db2.gz JGIFVNZRYLZQRN-ZDUSSCGKSA-N 0 0 285.368 3.787 50 30 CHEARN CC(C)CC[C@@H]1C[C@@H]1C(=O)Nc1ccccc1C#N ZINC000012382192 170482761 /nfs/dbraw/zinc/48/27/61/170482761.db2.gz SSBUZOOIRWMMGG-OCCSQVGLSA-N 0 0 256.349 3.569 50 30 CHEARN C=CCN1C(=O)S/C(=C\c2ccc(SC)cc2)C1=O ZINC000015011146 170653122 /nfs/dbraw/zinc/65/31/22/170653122.db2.gz GOTIAMZTOJXBIT-XFXZXTDPSA-N 0 0 291.397 3.631 50 30 CHEARN CC(C)Oc1ccc(C(=O)Oc2ccccc2C#N)cc1 ZINC000015657025 170673568 /nfs/dbraw/zinc/67/35/68/170673568.db2.gz FKHBZMLNOODLQV-UHFFFAOYSA-N 0 0 281.311 3.565 50 30 CHEARN Cc1[nH]c2ccc(C(=O)Nc3cccc(C#N)c3)cc2c1C ZINC000015738859 170676266 /nfs/dbraw/zinc/67/62/66/170676266.db2.gz XAMZKUUXRSITHQ-UHFFFAOYSA-N 0 0 289.338 3.909 50 30 CHEARN CC1(C)Cc2nc(NC3CCCCC3)c(C#N)cc2CO1 ZINC000019905128 170916553 /nfs/dbraw/zinc/91/65/53/170916553.db2.gz NMIPGTKZQFIPIC-UHFFFAOYSA-N 0 0 285.391 3.549 50 30 CHEARN Cc1cc(Cl)ccc1Oc1nccc(N(C)C)c1C#N ZINC000020218588 171081995 /nfs/dbraw/zinc/08/19/95/171081995.db2.gz XEJVOVDZHOXUAT-UHFFFAOYSA-N 0 0 287.750 3.773 50 30 CHEARN Cc1ccc(NC(=O)C2(C#N)CCCC2)c(Cl)c1 ZINC000020962402 171281962 /nfs/dbraw/zinc/28/19/62/171281962.db2.gz GKMSSVREGJFIMY-UHFFFAOYSA-N 0 0 262.740 3.671 50 30 CHEARN N#Cc1ccc(Sc2nc(-c3ccc(F)cc3)c[nH]2)nc1 ZINC000024988338 171446400 /nfs/dbraw/zinc/44/64/00/171446400.db2.gz DHIANFHIVTXXKE-UHFFFAOYSA-N 0 0 296.330 3.634 50 30 CHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)c1ccco1 ZINC000031776078 171646926 /nfs/dbraw/zinc/64/69/26/171646926.db2.gz HNPHFBPBGCPNJL-WJDWOHSUSA-N 0 0 267.328 3.774 50 30 CHEARN COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1O ZINC000033377881 171787833 /nfs/dbraw/zinc/78/78/33/171787833.db2.gz WZABPKWZZLRQDA-UVTDQMKNSA-N 0 0 280.323 3.613 50 30 CHEARN C[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(C#N)c1 ZINC000036397430 172633997 /nfs/dbraw/zinc/63/39/97/172633997.db2.gz BWQPIQJAOUICRF-GFCCVEGCSA-N 0 0 298.773 3.573 50 30 CHEARN C[C@@H](Nc1c(C#N)cnc2ccccc21)c1ccncc1 ZINC000037507656 173242200 /nfs/dbraw/zinc/24/22/00/173242200.db2.gz SIFSGNRQEVZOBS-GFCCVEGCSA-N 0 0 274.327 3.675 50 30 CHEARN Cc1csc(S[C@H](C#N)Cc2ccc(C)cc2)n1 ZINC000039976031 174180541 /nfs/dbraw/zinc/18/05/41/174180541.db2.gz CJNSETWWTAGAPZ-ZDUSSCGKSA-N 0 0 274.414 3.987 50 30 CHEARN C=CCOc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000040068018 174186513 /nfs/dbraw/zinc/18/65/13/174186513.db2.gz SPJJUAOEFGWCTG-AWEZNQCLSA-N 0 0 281.355 3.742 50 30 CHEARN CCOc1ccc(C(=O)/C=C/c2cccc3c2OCO3)cc1 ZINC000040139695 174194028 /nfs/dbraw/zinc/19/40/28/174194028.db2.gz QPLUXZVHXSGISZ-DHZHZOJOSA-N 0 0 296.322 3.710 50 30 CHEARN Cc1nc2ccccc2nc1N[C@H](C)c1ccc(C#N)cc1 ZINC000042099775 174637290 /nfs/dbraw/zinc/63/72/90/174637290.db2.gz FLSALDYICFVAKU-GFCCVEGCSA-N 0 0 288.354 3.983 50 30 CHEARN COc1cccc(/C=N/Cc2ccc(F)cc2Cl)c1O ZINC000044836084 175262708 /nfs/dbraw/zinc/26/27/08/175262708.db2.gz UFIVABZKEGRWNJ-GIJQJNRQSA-N 0 0 293.725 3.812 50 30 CHEARN CC(C)CN(Cc1ccsc1)C(=O)c1cccc(C#N)c1 ZINC000065370822 175722825 /nfs/dbraw/zinc/72/28/25/175722825.db2.gz HXGDKAXCMPBWKJ-UHFFFAOYSA-N 0 0 298.411 3.918 50 30 CHEARN C=CCOc1ccc(C(=O)N(C)Cc2cccs2)cc1 ZINC000071800158 176265983 /nfs/dbraw/zinc/26/59/83/176265983.db2.gz JXTQYGAFARGJCO-UHFFFAOYSA-N 0 0 287.384 3.585 50 30 CHEARN C=CCOc1cc(C(=O)N2CCC[C@H](C)C2)cc2occc21 ZINC000072240260 176347981 /nfs/dbraw/zinc/34/79/81/176347981.db2.gz VZHAAWCGQLMKJU-ZDUSSCGKSA-N 0 0 299.370 3.870 50 30 CHEARN CO/N=C/c1ccc(Oc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000003133366 260010998 /nfs/dbraw/zinc/01/09/98/260010998.db2.gz UIBGZGQMTKXKIE-MHWRWJLKSA-N 0 0 286.287 3.676 50 30 CHEARN N#C[C@@H](c1ccc(Cl)cc1)c1cnnc2ccccc21 ZINC000252497633 328105754 /nfs/dbraw/zinc/10/57/54/328105754.db2.gz QLLMXSSXJFUEKP-AWEZNQCLSA-N 0 0 279.730 3.939 50 30 CHEARN Cc1ccc(CN=Nc2nc(C)cc(-c3ccccc3)n2)o1 ZINC000004615205 326811803 /nfs/dbraw/zinc/81/18/03/326811803.db2.gz YAXBODFQAYQIML-WOJGMQOQSA-N 0 0 292.342 3.799 50 30 CHEARN CC1=C2C[C@]3(C)CC[C@@H](O)[C@H]4O[C@]43C[C@]2(C)CCC1 ZINC000071786177 328754908 /nfs/dbraw/zinc/75/49/08/328754908.db2.gz FZLAEAZTLVVXGY-UHDSXZAQSA-N 0 0 262.393 3.586 50 30 CHEARN CC[C@H](NCc1cc(C#N)ccc1F)c1c(C)noc1C ZINC000097374096 329527247 /nfs/dbraw/zinc/52/72/47/329527247.db2.gz ZYXZSEKYYHIYFQ-HNNXBMFYSA-N 0 0 287.338 3.543 50 30 CHEARN CCc1ccc([C@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001422973 517853754 /nfs/dbraw/zinc/85/37/54/517853754.db2.gz SCHZGPWGOPCHMB-CQSZACIVSA-N 0 0 298.382 3.923 50 30 CHEARN Cc1c(/C(Cc2ccccc2)=N/O)c2ccccc2n1C ZINC000100009500 518185725 /nfs/dbraw/zinc/18/57/25/518185725.db2.gz RRAAQXQHFOUAMU-KNTRCKAVSA-N 0 0 278.355 3.908 50 30 CHEARN C=C(C)COc1cccc(C(=O)NCc2ccccc2)c1 ZINC000006743102 518619132 /nfs/dbraw/zinc/61/91/32/518619132.db2.gz SMRBJJUAWWRRCM-UHFFFAOYSA-N 0 0 281.355 3.572 50 30 CHEARN C=CC(=O)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000328596886 518656298 /nfs/dbraw/zinc/65/62/98/518656298.db2.gz BFBGGQUUCJGDDV-SKDRFNHKSA-N 0 0 274.320 3.649 50 30 CHEARN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1 ZINC000048354209 518782908 /nfs/dbraw/zinc/78/29/08/518782908.db2.gz KQTIIRWQWKTXOX-UHFFFAOYSA-N 0 0 296.370 3.915 50 30 CHEARN C=CCN(Cc1cccnc1)c1nc(C)nc2sccc21 ZINC000055211201 518788390 /nfs/dbraw/zinc/78/83/90/518788390.db2.gz WYIPCYVTNMWZMX-UHFFFAOYSA-N 0 0 296.399 3.587 50 30 CHEARN C=CCn1c(-c2ccc(C)cc2)cnc1SCC#N ZINC000044085261 519148645 /nfs/dbraw/zinc/14/86/45/519148645.db2.gz IIGYIRGBXBUESL-UHFFFAOYSA-N 0 0 269.373 3.660 50 30 CHEARN CC(/C=C/c1ccccc1)=N\OC(=O)COc1ccccc1 ZINC000015938103 519348861 /nfs/dbraw/zinc/34/88/61/519348861.db2.gz RYIDBGBORDVYTB-RUWPHTKCSA-N 0 0 295.338 3.698 50 30 CHEARN CC(C)c1nc(C#N)c(N=NC=CCc2ccccc2)o1 ZINC000006307599 519858127 /nfs/dbraw/zinc/85/81/27/519858127.db2.gz ZYXPDZCAJQKANO-XICJKMHVSA-N 0 0 280.331 3.781 50 30 CHEARN CCCCCCCCCC[C@@H]1C[C@H]2C[C@H](O)O[C@H]2O1 ZINC000008384591 520026224 /nfs/dbraw/zinc/02/62/24/520026224.db2.gz JBVBWQPXSQZSQR-ZJIFWQFVSA-N 0 0 270.413 3.987 50 30 CHEARN CN1C=C/C(=C/C=C2\C=CC=CC2=O)c2ccccc21 ZINC000334157420 523738642 /nfs/dbraw/zinc/73/86/42/523738642.db2.gz SPUYYCFQLHACCM-YCRUPXPOSA-N 0 0 261.324 3.655 50 30 CHEARN C=CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000009815542 526952084 /nfs/dbraw/zinc/95/20/84/526952084.db2.gz PCLDZGMMVYBZHQ-CQSZACIVSA-N 0 0 297.354 3.657 50 30 CHEARN C=CCOc1ccccc1NC(=O)COc1ccccc1C ZINC000009815113 526952474 /nfs/dbraw/zinc/95/24/74/526952474.db2.gz CKUFVRGIZOEASK-UHFFFAOYSA-N 0 0 297.354 3.577 50 30 CHEARN c1coc(CN=Nc2nc(-c3ccccc3)cs2)c1 ZINC000004070315 527474026 /nfs/dbraw/zinc/47/40/26/527474026.db2.gz OLGQAKIYYSJBGL-OQLLNIDSSA-N 0 0 269.329 3.849 50 30 CHEARN CC(C)CN(C(=O)CC#N)c1ccc(C(F)(F)F)cc1 ZINC000408520640 527893318 /nfs/dbraw/zinc/89/33/18/527893318.db2.gz PPPQLJPOAVSKHX-UHFFFAOYSA-N 0 0 284.281 3.608 50 30 CHEARN N#Cc1cccnc1Sc1ccc(F)c(Cl)c1 ZINC000012550247 566848180 /nfs/dbraw/zinc/84/81/80/566848180.db2.gz RBOOAWDRIKXUIC-UHFFFAOYSA-N 0 0 264.712 3.897 50 30 CHEARN N#Cc1c(Cl)cccc1NC(=O)c1cccs1 ZINC000000139896 570386789 /nfs/dbraw/zinc/38/67/89/570386789.db2.gz NIRDQFHGBQMANM-UHFFFAOYSA-N 0 0 262.721 3.525 50 30 CHEARN N#Cc1cc2c(nc1SCc1ccncc1)CCCCC2 ZINC000000968930 566834916 /nfs/dbraw/zinc/83/49/16/566834916.db2.gz OZVPEVRCYWFVNL-UHFFFAOYSA-N 0 0 295.411 3.909 50 30 CHEARN CC(Cl)=NOC(=O)Nc1ccccc1C(F)(F)F ZINC000073241920 566835870 /nfs/dbraw/zinc/83/58/70/566835870.db2.gz QUDUBSLQGMYHHT-OMCISZLKSA-N 0 0 280.633 3.826 50 30 CHEARN Cc1noc(C)c1CNc1cc(C#N)ccc1OC(C)C ZINC000063469769 566841666 /nfs/dbraw/zinc/84/16/66/566841666.db2.gz WSAQPGVTGHJFNR-UHFFFAOYSA-N 0 0 285.347 3.562 50 30 CHEARN C[C@@H]1Cc2cc(C(=O)/C=C/c3ccccc3)ccc2O1 ZINC000004027515 566856032 /nfs/dbraw/zinc/85/60/32/566856032.db2.gz DPPSBECEYJCNCQ-BUUCAEBMSA-N 0 0 264.324 3.906 50 30 biogenic CHEARN Cc1ccc2cc(/C=N/c3ccccc3C)c(=O)[nH]c2c1 ZINC000001262042 566860468 /nfs/dbraw/zinc/86/04/68/566860468.db2.gz KLZBFYODKGDFRX-YBFXNURJSA-N 0 0 276.339 3.896 50 30 CHEARN COc1ccc(Oc2cc(C(F)(F)F)cnc2C#N)cc1 ZINC000001391398 566868999 /nfs/dbraw/zinc/86/89/99/566868999.db2.gz GYRMANAODURDCO-UHFFFAOYSA-N 0 0 294.232 3.773 50 30 CHEARN C[C@H](c1cccs1)[S@](=O)Cc1ccc(C#N)cc1 ZINC000084667337 566885153 /nfs/dbraw/zinc/88/51/53/566885153.db2.gz RYPBXVUDQUNFMI-ZMZPIMSZSA-N 0 0 275.398 3.630 50 30 CHEARN C=C(C)COc1cc(C)cc2oc(=O)c3c(c12)CCCC3 ZINC000000083553 566895942 /nfs/dbraw/zinc/89/59/42/566895942.db2.gz DQZZPCDUJTUOOO-UHFFFAOYSA-N 0 0 284.355 3.935 50 30 CHEARN C#CCSc1nc2ccccc2n1C(=O)c1cccs1 ZINC000015441608 566897803 /nfs/dbraw/zinc/89/78/03/566897803.db2.gz AZUPPRGRAHLISC-UHFFFAOYSA-N 0 0 298.392 3.512 50 30 CHEARN O=C(Nc1ccccc1)c1cncc(C#Cc2ccccc2)c1 ZINC000000170176 566899667 /nfs/dbraw/zinc/89/96/67/566899667.db2.gz LOWDGMCPNMJPPA-UHFFFAOYSA-N 0 0 298.345 3.734 50 30 CHEARN C=CCSc1nc(-c2ccccc2)ccc1C#N ZINC000002485567 566902298 /nfs/dbraw/zinc/90/22/98/566902298.db2.gz LZPZXAUONOCNHI-UHFFFAOYSA-N 0 0 252.342 3.898 50 30 CHEARN CCC(Cl)=NOC(=O)Nc1cccc(Cl)c1 ZINC000245311633 566907222 /nfs/dbraw/zinc/90/72/22/566907222.db2.gz PHNMDUPGVSEIAM-UHFFFAOYSA-N 0 0 261.108 3.851 50 30 CHEARN CC1=Cc2ccccc2[C@@H](C)[C@](C)(Br)C1=O ZINC000004530514 566909707 /nfs/dbraw/zinc/90/97/07/566909707.db2.gz SDADZVVKHSOCLV-YGRLFVJLSA-N 0 0 279.177 3.930 50 30 CHEARN Cc1ccc(C(=O)/C=C\C(=O)c2ccccc2)cc1 ZINC000033870328 566913832 /nfs/dbraw/zinc/91/38/32/566913832.db2.gz XGLDFBYLSWWPQM-QXMHVHEDSA-N 0 0 250.297 3.617 50 30 CHEARN C=CCNC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000024538248 566932173 /nfs/dbraw/zinc/93/21/73/566932173.db2.gz XEOQJJGWACRNHM-AWEZNQCLSA-N 0 0 282.387 3.630 50 30 CHEARN CCCCNc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 ZINC000075279566 566939790 /nfs/dbraw/zinc/93/97/90/566939790.db2.gz OJHAMYDJSZUHRC-UHFFFAOYSA-N 0 0 294.354 3.989 50 30 CHEARN C#CCNc1ncc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000075279048 566940839 /nfs/dbraw/zinc/94/08/39/566940839.db2.gz VRFZLTDRZCPZBQ-UHFFFAOYSA-N 0 0 285.350 3.856 50 30 CHEARN CCN(Cc1noc(C(C)C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000053610293 566944470 /nfs/dbraw/zinc/94/44/70/566944470.db2.gz FZFPGHMQWMAVRI-CYBMUJFWSA-N 0 0 298.390 3.648 50 30 CHEARN COc1ccccc1/N=C/c1ccc(N(C)C)cc1 ZINC000006871489 566954953 /nfs/dbraw/zinc/95/49/53/566954953.db2.gz JHYPPVVIENBNLT-SFQUDFHCSA-N 0 0 254.333 3.512 50 30 CHEARN N#Cc1cnc2ccccc2c1N1CCc2ccccc2C1 ZINC000064438617 566977330 /nfs/dbraw/zinc/97/73/30/566977330.db2.gz CZVGLFMQKZWGBH-UHFFFAOYSA-N 0 0 285.350 3.669 50 30 CHEARN N#Cc1c(Cl)nsc1NCCc1ccc(Cl)cc1 ZINC000036394026 567001318 /nfs/dbraw/zinc/00/13/18/567001318.db2.gz TWTMKTBOMFFQIB-UHFFFAOYSA-N 0 0 298.198 3.976 50 30 CHEARN CCN(C[C@@H](C)C#N)C(=O)c1ccccc1SC(C)C ZINC000065625836 567011599 /nfs/dbraw/zinc/01/15/99/567011599.db2.gz JJFKRLQZHVFUHC-ZDUSSCGKSA-N 0 0 290.432 3.809 50 30 CHEARN CCCc1cc(=O)[nH]c(S[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000170630788 567015895 /nfs/dbraw/zinc/01/58/95/567015895.db2.gz BQMLSACTDXTFQD-NSHDSACASA-N 0 0 299.399 3.860 50 30 CHEARN CC(C)C[C@@H]1CCCCN1C(=O)Nc1cccc(C#N)c1 ZINC000089821102 567027193 /nfs/dbraw/zinc/02/71/93/567027193.db2.gz QQJQCEOFLOIBOO-INIZCTEOSA-N 0 0 285.391 3.991 50 30 CHEARN CCOc1ccccc1C=Nc1cccc([N+](=O)[O-])c1 ZINC000252462692 567051226 /nfs/dbraw/zinc/05/12/26/567051226.db2.gz VJXOIVWDAJNLQB-UHFFFAOYSA-N 0 0 270.288 3.744 50 30 CHEARN N#C[C@H](C(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000000162464 567053604 /nfs/dbraw/zinc/05/36/04/567053604.db2.gz ROQZDYUDIBWRFI-LLVKDONJSA-N 0 0 295.729 3.706 50 30 CHEARN Cc1ccccc1NC(=S)NN=C/C=C/c1ccccc1 ZINC000252475009 567055646 /nfs/dbraw/zinc/05/56/46/567055646.db2.gz QLGMFJKWNOVWEO-CICINJRRSA-N 0 0 295.411 3.981 50 30 CHEARN Cc1ccc(-c2n[nH]cc2C=NOCc2ccccc2)o1 ZINC000252474506 567056774 /nfs/dbraw/zinc/05/67/74/567056774.db2.gz GSIMHWHYPXAMOU-UHFFFAOYSA-N 0 0 281.315 3.529 50 30 CHEARN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)C(C)C ZINC000054538167 567057518 /nfs/dbraw/zinc/05/75/18/567057518.db2.gz FEZSYCBZVKKGQX-GFCCVEGCSA-N 0 0 289.379 3.511 50 30 CHEARN CCc1noc(C)c1NC(=O)N(C)[C@@H](C)C1CCCCC1 ZINC000330430150 567063448 /nfs/dbraw/zinc/06/34/48/567063448.db2.gz IFEODPGJQXBKMG-NSHDSACASA-N 0 0 293.411 3.992 50 30 CHEARN CC(C)(C)c1ccc2[nH]c3c(c2c1)CCCC3=NO ZINC000252610030 567065649 /nfs/dbraw/zinc/06/56/49/567065649.db2.gz HYEYBQKKVWQICI-UHFFFAOYSA-N 0 0 256.349 3.980 50 30 CHEARN COc1ccc(C=Nc2ccccc2-c2c[nH]cn2)cc1 ZINC000252600560 567065990 /nfs/dbraw/zinc/06/59/90/567065990.db2.gz DSKQDNWFHSGMKA-UHFFFAOYSA-N 0 0 277.327 3.836 50 30 CHEARN Clc1ccc2c(c1)c1ccccc1n2C[C@@H]1CO1 ZINC000003159004 567074693 /nfs/dbraw/zinc/07/46/93/567074693.db2.gz ASRSYYRYCCIKGO-LLVKDONJSA-N 0 0 257.720 3.847 50 30 CHEARN N#Cc1cc2c(nc1SCc1ccccc1)CCCC2=O ZINC000002266281 567074724 /nfs/dbraw/zinc/07/47/24/567074724.db2.gz GVKPJQJDYSIFJH-UHFFFAOYSA-N 0 0 294.379 3.765 50 30 CHEARN N#Cc1ccccc1COc1ccc(C=O)cc1Cl ZINC000000586168 567105711 /nfs/dbraw/zinc/10/57/11/567105711.db2.gz IDHWCVFDELEBQH-UHFFFAOYSA-N 0 0 271.703 3.603 50 30 CHEARN C=CC(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000328597429 567118322 /nfs/dbraw/zinc/11/83/22/567118322.db2.gz HDITUXKGKMKWAJ-ZCFIWIBFSA-N 0 0 278.661 3.957 50 30 CHEARN CCCC[C@H](C)C(=O)Nc1cccc2[nH]c(=O)[nH]c21 ZINC000328591874 567119104 /nfs/dbraw/zinc/11/91/04/567119104.db2.gz BGQLQQOBLPYMGJ-VIFPVBQESA-N 0 0 261.325 3.683 50 30 CHEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(N)n2)o1 ZINC000019095766 567119902 /nfs/dbraw/zinc/11/99/02/567119902.db2.gz HEHSZSBMWMFSPW-UHFFFAOYSA-N 0 0 275.311 3.771 50 30 CHEARN Cn1cc(-c2ccc(/C=C/c3ccncc3C#N)s2)cn1 ZINC000390834548 567125732 /nfs/dbraw/zinc/12/57/32/567125732.db2.gz BVBYOIYJUPLPSR-NSCUHMNNSA-N 0 0 292.367 3.586 50 30 CHEARN Cc1cccc(C(=O)Nc2ccc(CC#N)cc2)c1C ZINC000015028880 567128650 /nfs/dbraw/zinc/12/86/50/567128650.db2.gz FWNROTZKQMSLAH-UHFFFAOYSA-N 0 0 264.328 3.622 50 30 CHEARN CC(C)(C#N)CC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000280111300 567136793 /nfs/dbraw/zinc/13/67/93/567136793.db2.gz XVESQNSPJJQGBN-DZGCQCFKSA-N 0 0 288.366 3.518 50 30 CHEARN CCC[C@@H](C#N)NC(=O)/C=C\c1c(CC)oc2ccccc21 ZINC000096315819 567140373 /nfs/dbraw/zinc/14/03/73/567140373.db2.gz VSJNANLMWQNXHB-OEYXZAGESA-N 0 0 296.370 3.817 50 30 CHEARN CCOc1cc(C#N)ccc1OCc1ccccc1 ZINC000002801494 567153170 /nfs/dbraw/zinc/15/31/70/567153170.db2.gz JTGKJQWMQUUCSC-UHFFFAOYSA-N 0 0 253.301 3.536 50 30 CHEARN C[C@@H](Nc1ncnc2ccccc21)c1ccc(C#N)cc1 ZINC000029588824 567154663 /nfs/dbraw/zinc/15/46/63/567154663.db2.gz PNUTWEJKNPOSLN-GFCCVEGCSA-N 0 0 274.327 3.675 50 30 CHEARN CC[C@@H](Nc1ncccc1C#N)c1ccc(OC)cc1 ZINC000069573318 567202017 /nfs/dbraw/zinc/20/20/17/567202017.db2.gz ILUKXYYUFZEGEL-OAHLLOKOSA-N 0 0 267.332 3.525 50 30 CHEARN Cc1nc(SC[C@@H](O)c2ccccc2)c(C#N)c(C)c1C ZINC000010273216 567204850 /nfs/dbraw/zinc/20/48/50/567204850.db2.gz MKTWWXFNOTYDNL-MRXNPFEDSA-N 0 0 298.411 3.704 50 30 CHEARN O=C1C=CC=C/C1=C/C=C1/OC=CC2=C1CCCC2 ZINC000409415895 567216450 /nfs/dbraw/zinc/21/64/50/567216450.db2.gz IVROPHVIKAMADU-WXYRWYTRSA-N 0 0 252.313 3.906 50 30 CHEARN CC(N=Nc1ccccc1)=C(C)NNc1ccccc1 ZINC000100070056 567217943 /nfs/dbraw/zinc/21/79/43/567217943.db2.gz NZSWAHHZVCLNEC-HBKJEHTGSA-N 0 0 266.348 3.962 50 30 CHEARN CC(=O)c1cccc(N=Cc2ccc([N+](=O)[O-])s2)c1 ZINC000000048973 567817238 /nfs/dbraw/zinc/81/72/38/567817238.db2.gz FSJQOQXXKBMRBY-RIYZIHGNSA-N 0 0 274.301 3.610 50 30 CHEARN Cc1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1F ZINC000000065477 567817416 /nfs/dbraw/zinc/81/74/16/567817416.db2.gz BJPXJAFSEYAMBL-CXUHLZMHSA-N 0 0 258.252 3.793 50 30 CHEARN N#CCc1ccc(NC2(C#N)C3CC4CC(C3)CC2C4)cc1 ZINC000000094636 567818127 /nfs/dbraw/zinc/81/81/27/567818127.db2.gz CIJHOVVPMJDHNB-UHFFFAOYSA-N 0 0 291.398 3.883 50 30 CHEARN COc1ccc(C(=O)C[C@H](C#N)c2ccc(OC)cc2)cc1 ZINC000000259293 567823303 /nfs/dbraw/zinc/82/33/03/567823303.db2.gz SOTWSEPIXMUMOY-OAHLLOKOSA-N 0 0 295.338 3.584 50 30 biogenic CHEARN N#C[C@H](c1ccccc1)c1ccc(-c2ccccc2)nn1 ZINC000000344017 567826047 /nfs/dbraw/zinc/82/60/47/567826047.db2.gz VJCWBCVSDHHTFB-MRXNPFEDSA-N 0 0 271.323 3.799 50 30 CHEARN O=[N+]([O-])c1ccc(/C=N/c2c(F)cccc2F)s1 ZINC000001045763 567835639 /nfs/dbraw/zinc/83/56/39/567835639.db2.gz RLISCAHBNRKLBX-MKMNVTDBSA-N 0 0 268.244 3.685 50 30 CHEARN COc1ccc(OC)c(/C=C2\CCc3ccccc3C2=O)c1 ZINC000001628696 567839698 /nfs/dbraw/zinc/83/96/98/567839698.db2.gz SUTYWHROSNPLDQ-SDNWHVSQSA-N 0 0 294.350 3.916 50 30 CHEARN COc1cccc(C(=O)[C@@H](CCC#N)c2ccccc2)c1 ZINC000001649116 567840097 /nfs/dbraw/zinc/84/00/97/567840097.db2.gz JDUAUOIGNYOCGG-KRWDZBQOSA-N 0 0 279.339 3.965 50 30 CHEARN CCc1ccc(C(=O)/C=C/S/C(=N/C#N)SC)cc1 ZINC000002146268 567844865 /nfs/dbraw/zinc/84/48/65/567844865.db2.gz JDJNBYJPAUAYGT-AXZFEOQBSA-N 0 0 290.413 3.879 50 30 CHEARN N#CCCCCC(=O)c1cccc(Br)c1 ZINC000002392778 567846059 /nfs/dbraw/zinc/84/60/59/567846059.db2.gz UKTLGIJCGDBFOT-UHFFFAOYSA-N 0 0 266.138 3.716 50 30 CHEARN O=C1CCCCC1=CNc1ccc(F)c(Cl)c1 ZINC000002831119 567849403 /nfs/dbraw/zinc/84/94/03/567849403.db2.gz VCRPZGLNSUVRKZ-HJWRWDBZSA-N 0 0 253.704 3.918 50 30 CHEARN CCCOc1ccccc1/C=C1\N=C(SC)SC1=O ZINC000002882711 567850275 /nfs/dbraw/zinc/85/02/75/567850275.db2.gz MQCREQXOIMIUNO-LUAWRHEFSA-N 0 0 293.413 3.809 50 30 CHEARN CCNc1ccccc(C(=O)/C=C/c2ccccc2C)c1=O ZINC000004667351 567858965 /nfs/dbraw/zinc/85/89/65/567858965.db2.gz RDSKEOIFCXVOKP-OUKQBFOZSA-N 0 0 293.366 3.683 50 30 CHEARN CS/C(=N\c1ccccc1F)N1CCCCC1 ZINC000004693381 567859212 /nfs/dbraw/zinc/85/92/12/567859212.db2.gz JVTIPLCCIIEZQE-SQFISAMPSA-N 0 0 252.358 3.662 50 30 CHEARN Cc1ccc([C@@H](C)NC(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000032610944 567864118 /nfs/dbraw/zinc/86/41/18/567864118.db2.gz LWBKPBIEGIGTEX-CQSZACIVSA-N 0 0 278.355 3.666 50 30 CHEARN Cc1ccc(NC(=S)NCc2cccs2)cc1 ZINC000013468566 567866183 /nfs/dbraw/zinc/86/61/83/567866183.db2.gz PDGPJGDYXRBMQB-UHFFFAOYSA-N 0 0 262.403 3.954 50 30 CHEARN CCc1ccc(NCc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000032803960 567868507 /nfs/dbraw/zinc/86/85/07/567868507.db2.gz KWSNRKFCIZLHFA-UHFFFAOYSA-N 0 0 281.315 3.641 50 30 CHEARN N#Cc1c(=S)[nH]c2c(c1[C@H]1CC=CCC1)CCC2 ZINC000004548890 567869271 /nfs/dbraw/zinc/86/92/71/567869271.db2.gz XOMFUEHMSLCFSH-JTQLQIEISA-N 0 0 256.374 3.928 50 30 CHEARN N#Cc1ccc(OC(=O)c2cc(Cl)ccc2F)cc1 ZINC000015578446 567870979 /nfs/dbraw/zinc/87/09/79/567870979.db2.gz MYIZJZGTYRWHMF-UHFFFAOYSA-N 0 0 275.666 3.570 50 30 CHEARN C=C(C)c1nc(C#N)c(N=NCc2ccccc2Cl)o1 ZINC000027562336 567883120 /nfs/dbraw/zinc/88/31/20/567883120.db2.gz UTJJOEPANGDBPM-CAOOACKPSA-N 0 0 286.722 3.679 50 30 CHEARN COc1ccc(/C=C\C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000033678843 567887099 /nfs/dbraw/zinc/88/70/99/567887099.db2.gz RNSUHTAEBYEHIU-PLNGDYQASA-N 0 0 290.318 3.714 50 30 CHEARN CC(C)c1cccc(NC(=O)CNc2ccc(C#N)cc2)c1 ZINC000011155784 567895564 /nfs/dbraw/zinc/89/55/64/567895564.db2.gz BFRIWGHRQXFZGD-UHFFFAOYSA-N 0 0 293.370 3.732 50 30 CHEARN CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000058431922 567895762 /nfs/dbraw/zinc/89/57/62/567895762.db2.gz WYZVUDUHANCNDE-RMKNXTFCSA-N 0 0 299.330 3.512 50 30 CHEARN Cc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)c(C)c1 ZINC000000043612 567905319 /nfs/dbraw/zinc/90/53/19/567905319.db2.gz LTIZGAYJGLHGLG-LFIBNONCSA-N 0 0 277.323 3.648 50 30 CHEARN C[C@H](CC#N)NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000097163229 567905351 /nfs/dbraw/zinc/90/53/51/567905351.db2.gz BQBYHNVNJFBQSZ-CYBMUJFWSA-N 0 0 279.343 3.777 50 30 CHEARN C=CCCCCCCCCNC(=O)C(F)(F)F ZINC000136783244 567906657 /nfs/dbraw/zinc/90/66/57/567906657.db2.gz XYRSNIPQOBJXDR-UHFFFAOYSA-N 0 0 251.292 3.582 50 30 CHEARN N#Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000247644642 567909663 /nfs/dbraw/zinc/90/96/63/567909663.db2.gz JPXIORIYKBSQLA-HYVNUMGLSA-N 0 0 282.387 3.647 50 30 CHEARN CC(NCc1ccccc1)=C1Sc2ccccc2C1=O ZINC000100095444 567914823 /nfs/dbraw/zinc/91/48/23/567914823.db2.gz NCNJXMAAPYTCAZ-SFQUDFHCSA-N 0 0 281.380 3.996 50 30 CHEARN CC(C)(C)c1ccc(Nc2ccc(C#N)cn2)cc1 ZINC000014204657 567915587 /nfs/dbraw/zinc/91/55/87/567915587.db2.gz AOTPZSLRJHGUGH-UHFFFAOYSA-N 0 0 251.333 3.994 50 30 CHEARN N#CC(=NNc1ccccc1)C(=O)c1ccccc1Cl ZINC000103743931 567915779 /nfs/dbraw/zinc/91/57/79/567915779.db2.gz LXTDBRZBJRMSSG-XMHGGMMESA-N 0 0 283.718 3.514 50 30 CHEARN N#Cc1ccccc1CSc1nc2ccccc2o1 ZINC000000187881 567924709 /nfs/dbraw/zinc/92/47/09/567924709.db2.gz IASSJIWEQNYOPQ-UHFFFAOYSA-N 0 0 266.325 3.992 50 30 CHEARN O=C1Nc2ccccc2/C1=N/c1ccc2ccccc2c1 ZINC000000185945 567924744 /nfs/dbraw/zinc/92/47/44/567924744.db2.gz LDNCLVKYXIXOPN-UHFFFAOYSA-N 0 0 272.307 3.913 50 30 CHEARN COc1cccc(/C=C2\Cc3ccccc3C2=O)c1OC ZINC000000247118 567925326 /nfs/dbraw/zinc/92/53/26/567925326.db2.gz XXVAUZIRWUKFIA-SDNWHVSQSA-N 0 0 280.323 3.526 50 30 CHEARN C=C(C)[C@H]1CCC(C)=C1COC(=O)c1cccnc1 ZINC000000281443 567926248 /nfs/dbraw/zinc/92/62/48/567926248.db2.gz NBVUVHRZJRUMEJ-CQSZACIVSA-N 0 0 257.333 3.541 50 30 biogenic CHEARN N#CC(=NNc1ccccc1)C(=N)SCc1ccccc1 ZINC000252622828 567930283 /nfs/dbraw/zinc/93/02/83/567930283.db2.gz ODQZYCYPZXTWMB-UHFFFAOYSA-N 0 0 294.383 3.889 50 30 CHEARN Cn1c(-c2ccccc2)cnc1SC[C@H](C#N)CCC#N ZINC000066402737 567930745 /nfs/dbraw/zinc/93/07/45/567930745.db2.gz QYRMRQGXLQDJQQ-ZDUSSCGKSA-N 0 0 296.399 3.623 50 30 CHEARN C=CCn1c(=S)[nH]nc1[C@H](C)Oc1cc(C)cc(C)c1 ZINC000002526638 567930959 /nfs/dbraw/zinc/93/09/59/567930959.db2.gz UUFKAPQFGWNOPJ-LBPRGKRZSA-N 0 0 289.404 3.884 50 30 CHEARN CC(C)CNc1oc(-c2ccc(Cl)cc2)nc1C#N ZINC000000065831 567931307 /nfs/dbraw/zinc/93/13/07/567931307.db2.gz PGIBKGXNTFGTQE-UHFFFAOYSA-N 0 0 275.739 3.935 50 30 CHEARN CCOC(=O)c1ccc(NC=C2CCC[C@@H](C)C2=O)cc1 ZINC000018113891 567940216 /nfs/dbraw/zinc/94/02/16/567940216.db2.gz QILOQIZGPVTJGT-POKNLVKOSA-N 0 0 287.359 3.548 50 30 CHEARN Cc1cccc(/N=C/c2ccc3ccccc3c2O)n1 ZINC000000499822 567940254 /nfs/dbraw/zinc/94/02/54/567940254.db2.gz OBCAUBKBMLIBQW-WOJGMQOQSA-N 0 0 262.312 3.999 50 30 CHEARN Cc1noc2c1[C@H](c1ccccc1F)C1=C(CCCC1=O)N2 ZINC000013721589 567942070 /nfs/dbraw/zinc/94/20/70/567942070.db2.gz FQUHTHHGYGNTJO-HNNXBMFYSA-N 0 0 298.317 3.687 50 30 CHEARN N#Cc1nc(-c2cccs2)oc1NCc1ccccc1 ZINC000000544849 567943120 /nfs/dbraw/zinc/94/31/20/567943120.db2.gz YOQKYBGLBXCXSE-UHFFFAOYSA-N 0 0 281.340 3.887 50 30 CHEARN Cc1cccc2cc(/C=C\C(=O)c3cccs3)c(=O)[nH]c12 ZINC000033436644 570266393 /nfs/dbraw/zinc/26/63/93/570266393.db2.gz HUNMYDFTYODYAC-FPLPWBNLSA-N 0 0 295.363 3.794 50 30 CHEARN COc1ccccc1[C@@]1(CC#N)CCO[C@@H](C(C)C)C1 ZINC000000520602 570285818 /nfs/dbraw/zinc/28/58/18/570285818.db2.gz PPMCNHHTASMGPG-SJORKVTESA-N 0 0 273.376 3.682 50 30 CHEARN N#Cc1ccc(CSC[C@H](O)c2ccccc2)cc1 ZINC000049302736 570300335 /nfs/dbraw/zinc/30/03/35/570300335.db2.gz MBRNLBJTESZIPQ-INIZCTEOSA-N 0 0 269.369 3.525 50 30 CHEARN O=C1CC(=O)CC(c2cccc(C(F)(F)F)c2)C1 ZINC000215742122 570303616 /nfs/dbraw/zinc/30/36/16/570303616.db2.gz VTLOBHLHXMJGIL-VIFPVBQESA-N 0 0 256.223 3.594 50 30 CHEARN C=CCSc1nc2scc(CC(C)C)c2c(N)n1 ZINC000012324974 570307544 /nfs/dbraw/zinc/30/75/44/570307544.db2.gz UOSHZHPDXOQDOA-UHFFFAOYSA-N 0 0 279.434 3.750 50 30 CHEARN C=CCc1ccccc1OCCOc1ccc(C=O)cc1 ZINC000002866689 570310948 /nfs/dbraw/zinc/31/09/48/570310948.db2.gz HANSUESKALTFCH-UHFFFAOYSA-N 0 0 282.339 3.685 50 30 CHEARN Cc1nc(CSc2nc(C)cc(C)c2C#N)cs1 ZINC000002710606 570319423 /nfs/dbraw/zinc/31/94/23/570319423.db2.gz SCOXCXHMYYXCTB-UHFFFAOYSA-N 0 0 275.402 3.627 50 30 CHEARN N#Cc1ccc(COC(=O)c2cc(Cl)ccc2F)cc1 ZINC000018798908 570322244 /nfs/dbraw/zinc/32/22/44/570322244.db2.gz WLPXVNNMDSAUSL-UHFFFAOYSA-N 0 0 289.693 3.708 50 30 CHEARN N#CCSc1nc2ccccc2n1-c1ccccc1 ZINC000012540650 570327433 /nfs/dbraw/zinc/32/74/33/570327433.db2.gz DNBPQJQNJNAVHZ-UHFFFAOYSA-N 0 0 265.341 3.641 50 30 CHEARN Cc1ccc(C=NN=c2[nH]c3ccccc3s2)o1 ZINC000003909661 570329186 /nfs/dbraw/zinc/32/91/86/570329186.db2.gz LTXDTWKNTWLFTN-RIYZIHGNSA-N 0 0 257.318 3.644 50 30 CHEARN Cc1nc2ccccc2nc1SCCCCC#N ZINC000084057726 570334102 /nfs/dbraw/zinc/33/41/02/570334102.db2.gz UDMDBRVFBYEUTK-UHFFFAOYSA-N 0 0 257.362 3.724 50 30 CHEARN C=CCn1cnc(-c2ccccc2)c1CCSC ZINC000065533425 570335756 /nfs/dbraw/zinc/33/57/56/570335756.db2.gz ARCSSYXZJBVFBZ-UHFFFAOYSA-N 0 0 258.390 3.642 50 30 CHEARN C=CCOc1cccc(NC(=O)[C@@H](C)Oc2ccccc2)c1 ZINC000012137964 570339382 /nfs/dbraw/zinc/33/93/82/570339382.db2.gz MDHJZQLTOYATIK-CQSZACIVSA-N 0 0 297.354 3.657 50 30 CHEARN C=CCNC(=O)[C@@H](CC)Oc1ccc(-c2ccccc2)cc1 ZINC000012137757 570339404 /nfs/dbraw/zinc/33/94/04/570339404.db2.gz OOYZSUKVEJSWOC-GOSISDBHSA-N 0 0 295.382 3.813 50 30 CHEARN N#Cc1ccc(CNc2ccc(F)c(F)c2F)cc1 ZINC000019907651 570341584 /nfs/dbraw/zinc/34/15/84/570341584.db2.gz FVSZDPRISLJOCB-UHFFFAOYSA-N 0 0 262.234 3.588 50 30 CHEARN C=CCc1c(O)ccc2oc(-c3ccccc3)cc(=O)c21 ZINC000036633729 570361124 /nfs/dbraw/zinc/36/11/24/570361124.db2.gz COVAYULFOQVVHL-UHFFFAOYSA-N 0 0 278.307 3.894 50 30 CHEARN CCCC[C@H](CC)[C@H]1CC(=O)C=C(C)[C@H]1C(=O)OCC ZINC000136615432 570381671 /nfs/dbraw/zinc/38/16/71/570381671.db2.gz VOMWEKBBFUHRJE-NUEKZKHPSA-N 0 0 280.408 3.917 50 30 CHEARN N#Cc1c(N=Cc2cccc([N+](=O)[O-])c2)sc2c1CCC2 ZINC000252603399 570391715 /nfs/dbraw/zinc/39/17/15/570391715.db2.gz FQHLNFSWCKZTHQ-UHFFFAOYSA-N 0 0 297.339 3.767 50 30 CHEARN COc1cccc(OCCCc2ccc(F)c(C#N)c2)c1 ZINC000082107676 570395484 /nfs/dbraw/zinc/39/54/84/570395484.db2.gz NIHHECIFOFZKBS-UHFFFAOYSA-N 0 0 285.318 3.718 50 30 CHEARN CC(C)(C)OC(=O)N[C@](C)(CS)Cc1ccccc1F ZINC000685950462 570406126 /nfs/dbraw/zinc/40/61/26/570406126.db2.gz QTNQQHHRDNAHDK-HNNXBMFYSA-N 0 0 299.411 3.581 50 30 CHEARN COc1cc2nc(C(C)C)c(C#N)c(C)c2cc1OC ZINC000077410419 570405024 /nfs/dbraw/zinc/40/50/24/570405024.db2.gz CXCVQGTWWCABRO-UHFFFAOYSA-N 0 0 270.332 3.556 50 30 CHEARN Cc1ccc(C[C@H](CS)NC(=O)OC(C)(C)C)cc1C ZINC000685950782 570406105 /nfs/dbraw/zinc/40/61/05/570406105.db2.gz ZDBGAMLETDZBJK-CQSZACIVSA-N 0 0 295.448 3.669 50 30 CHEARN O=C1c2ccccc2CC/C1=C/c1ccc2c(c1)OCCO2 ZINC000003330080 1125684130 /nfs/dbraw/zinc/68/41/30/1125684130.db2.gz MFFSJGXKVYPBGW-PTNGSMBKSA-N 0 0 292.334 3.670 50 30 CHEARN Cc1ccc2cc(/C=C\C(=O)c3cccs3)c(=O)[nH]c2c1 ZINC000083317162 1126766115 /nfs/dbraw/zinc/76/61/15/1126766115.db2.gz BGQROJABWFTPOD-SREVYHEPSA-N 0 0 295.363 3.794 50 30 CHEARN CCN=c1scc(-c2cccs2)n1N=C(C)CC ZINC000254467881 1127099493 /nfs/dbraw/zinc/09/94/93/1127099493.db2.gz RLPGDOVNVPLLRC-UHFFFAOYSA-N 0 0 279.434 3.833 50 30 CHEARN CCOc1ccc(C=NN2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC000254877167 1127164545 /nfs/dbraw/zinc/16/45/45/1127164545.db2.gz WCZKXQHIFZVOSB-KBPBESRZSA-N 0 0 290.407 3.691 50 30 CHEARN CN1N=C(c2ccccc2)CS/C1=N\Cc1ccccc1 ZINC000006671528 1127646393 /nfs/dbraw/zinc/64/63/93/1127646393.db2.gz CXIRIYXTJHFDIS-ZCXUNETKSA-N 0 0 295.411 3.626 50 30 CHEARN C=C(C)CSc1n[nH]c(C=Cc2ccccc2)n1 ZINC000012736092 1127918586 /nfs/dbraw/zinc/91/85/86/1127918586.db2.gz CAPOUAWUOSMOMX-CMDGGOBGSA-N 0 0 257.362 3.643 50 30 CHEARN COc1ccc(C(=O)/C=C\c2sccc2C)cc1OC ZINC000033410662 1128521877 /nfs/dbraw/zinc/52/18/77/1128521877.db2.gz GAKJKDNFDNZMEU-ALCCZGGFSA-N 0 0 288.368 3.970 50 30 CHEARN CN(C)c1ccc(/C=C\C(=O)c2ccc(C#N)cc2)cc1 ZINC000033466989 1128532956 /nfs/dbraw/zinc/53/29/56/1128532956.db2.gz ORFCDTXKANZHGH-GHXNOFRVSA-N 0 0 276.339 3.520 50 30 CHEARN COc1cccc(/C=N\[C@H](C)c2sc(C)nc2C)c1O ZINC000048627922 1128721491 /nfs/dbraw/zinc/72/14/91/1128721491.db2.gz SXPTXZISOCMZTL-KYZBGHIMSA-N 0 0 290.388 3.654 50 30 CHEARN N#Cc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1 ZINC000013013057 1117903877 /nfs/dbraw/zinc/90/38/77/1117903877.db2.gz WHDHJUSQNPTEQV-VQHVLOKHSA-N 0 0 272.307 3.982 50 30 CHEARN CN(C)c1ccc(/C=C/C(=O)[C@H]2C[C@@H](CC#N)C2(C)C)cc1 ZINC000004478057 1117981368 /nfs/dbraw/zinc/98/13/68/1117981368.db2.gz MABQUJOTXRTTCV-KHWCHDCRSA-N 0 0 296.414 3.911 50 30 CHEARN CC(C)(C)[C@H](C#N)NC(=O)c1cc2cc(F)ccc2s1 ZINC000085431963 1118122134 /nfs/dbraw/zinc/12/21/34/1118122134.db2.gz QKYZAIVDXOQACM-ZDUSSCGKSA-N 0 0 290.363 3.708 50 30 CHEARN COc1ccccc1NC=CC(=O)c1ccc(C)cc1 ZINC000000222863 1119100454 /nfs/dbraw/zinc/10/04/54/1119100454.db2.gz VYJSAMZYHJRUIM-VAWYXSNFSA-N 0 0 267.328 3.812 50 30 CHEARN COC(=O)c1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1 ZINC000013135210 1119773242 /nfs/dbraw/zinc/77/32/42/1119773242.db2.gz KQIKSPXVMPPBKB-YRNVUSSQSA-N 0 0 294.350 3.986 50 30 CHEARN Cc1c(F)cccc1NC(=O)Nc1ccccc1C#N ZINC000051354511 1120779522 /nfs/dbraw/zinc/77/95/22/1120779522.db2.gz FPGUWOKSLRQAPA-UHFFFAOYSA-N 0 0 269.279 3.650 50 30 CHEARN Fc1cc(Br)ccc1N=Cc1ccccn1 ZINC000254713672 1120907322 /nfs/dbraw/zinc/90/73/22/1120907322.db2.gz QOAJWEODYMWVCH-UHFFFAOYSA-N 0 0 279.112 3.734 50 30 CHEARN Cc1c2ccc3ccccc3c2oc1C(=O)O[C@H](C)C#N ZINC000003432157 1121021513 /nfs/dbraw/zinc/02/15/13/1121021513.db2.gz RNTQLWRKHVRWQQ-SNVBAGLBSA-N 0 0 279.295 3.963 50 30 CHEARN N#Cc1cccc(C(=O)/C=C\c2c[nH]c(C(F)(F)F)c2)c1 ZINC000606443644 1121665195 /nfs/dbraw/zinc/66/51/95/1121665195.db2.gz WEJUUBGBOJDRJR-PLNGDYQASA-N 0 0 290.244 3.801 50 30 CHEARN CCOc1cc(C=NNc2ccc(Cl)cc2)ccc1O ZINC000606346809 1121665971 /nfs/dbraw/zinc/66/59/71/1121665971.db2.gz AKMIHQSFEOLNAQ-UHFFFAOYSA-N 0 0 290.750 3.890 50 30 CHEARN C=CCCC(=O)N[C@H](C)Cc1csc2ccccc12 ZINC000618256080 1121702236 /nfs/dbraw/zinc/70/22/36/1121702236.db2.gz CUAFVMABQSERMA-GFCCVEGCSA-N 0 0 273.401 3.915 50 30 CHEARN CCC(Cl)=NOC(=O)Nc1ccc(F)c(Cl)c1 ZINC000073353256 1121729623 /nfs/dbraw/zinc/72/96/23/1121729623.db2.gz NQAHAHFDPBDUNI-OQLLNIDSSA-N 0 0 279.098 3.990 50 30 CHEARN CC(C)(C)[Si](C)(C)C#C[C@H](O)C1CCCCC1 ZINC000195755144 1123229495 /nfs/dbraw/zinc/22/94/95/1123229495.db2.gz FQOJQYFOLYYDTP-AWEZNQCLSA-N 0 0 252.474 3.979 50 30 CHEARN N#Cc1cccc(C(=O)Oc2ccccc2C(F)(F)F)c1 ZINC000012816255 1123493207 /nfs/dbraw/zinc/49/32/07/1123493207.db2.gz IPDGPFPVLPSLKD-UHFFFAOYSA-N 0 0 291.228 3.796 50 30 CHEARN C=C1CC(c2noc(CCCOCc3ccccc3)n2)C1 ZINC000585120428 1131311183 /nfs/dbraw/zinc/31/11/83/1131311183.db2.gz NDWFEJPMEUWUIX-UHFFFAOYSA-N 0 0 284.359 3.653 50 30 CHEARN Cc1nc(C)c(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)s1 ZINC000102851991 1125307172 /nfs/dbraw/zinc/30/71/72/1125307172.db2.gz WWFLHMBYZZPPLR-SREVYHEPSA-N 0 0 288.328 3.564 50 30 CHEARN CS/C(=N\C#N)S/C=C/C(=O)c1ccc(C)cc1 ZINC000002146260 1125429926 /nfs/dbraw/zinc/42/99/26/1125429926.db2.gz ATMVKUNVKFGSSF-QOEFFGCWSA-N 0 0 276.386 3.625 50 30 CHEARN CCOC(=O)CCCCCCC(=O)c1ccc(C#N)cc1 ZINC000002379001 1125430508 /nfs/dbraw/zinc/43/05/08/1125430508.db2.gz YWOXXIIYGFLHIF-UHFFFAOYSA-N 0 0 287.359 3.645 50 30 CHEARN CCc1cnccc1C(=O)/C=C/c1cc(OC)cc(OC)c1 ZINC000095452284 1129476718 /nfs/dbraw/zinc/47/67/18/1129476718.db2.gz BVEYUJCJELVDFB-AATRIKPKSA-N 0 0 297.354 3.557 50 30 CHEARN N#Cc1cccc(/C=C\C(=O)N(C2CC2)C2CCCC2)c1 ZINC000097073576 1129584099 /nfs/dbraw/zinc/58/40/99/1129584099.db2.gz FUCCADHXCQPIMF-FLIBITNWSA-N 0 0 280.371 3.505 50 30 CHEARN Cc1cc(C(=O)/C=C\c2ccc3nccnc3c2)c(C)o1 ZINC000098042401 1129640283 /nfs/dbraw/zinc/64/02/83/1129640283.db2.gz XYHUJTYWNCGXNQ-XQRVVYSFSA-N 0 0 278.311 3.736 50 30 CHEARN CCOc1ccccc1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000098053735 1129642247 /nfs/dbraw/zinc/64/22/47/1129642247.db2.gz VBROCDZLXHKCQM-QXMHVHEDSA-N 0 0 277.323 3.853 50 30 CHEARN Cc1ncsc1/C=C1\CCOc2ccccc2C1=O ZINC000098056087 1129642879 /nfs/dbraw/zinc/64/28/79/1129642879.db2.gz PPXKGIVYCGNAFD-DHZHZOJOSA-N 0 0 271.341 3.500 50 30 CHEARN Cc1ccc(C)c(C=NNc2nc3ccccc3[nH]2)c1 ZINC000254617934 1129703252 /nfs/dbraw/zinc/70/32/52/1129703252.db2.gz DVACIKKUQUWKQB-UHFFFAOYSA-N 0 0 264.332 3.626 50 30 CHEARN Fc1ccc(C=NN=Cc2ccc(F)cc2F)c(F)c1 ZINC000254704921 1129705918 /nfs/dbraw/zinc/70/59/18/1129705918.db2.gz ZNBIHNTWUSVJGG-UHFFFAOYSA-N 0 0 280.224 3.696 50 30 CHEARN Cc1ccc(NC=C(C=Nc2ccccc2)[N+](=O)[O-])cc1 ZINC000254790627 1129710750 /nfs/dbraw/zinc/71/07/50/1129710750.db2.gz CIPWHGXJBVCEBU-SERWPDBLSA-N 0 0 281.315 3.928 50 30 CHEARN C#CCCC1(CCC(=O)N2c3ccccc3CC[C@@H]2C)N=N1 ZINC000952882122 1132016654 /nfs/dbraw/zinc/01/66/54/1132016654.db2.gz LWOANPGBWSVISE-AWEZNQCLSA-N 0 0 295.386 3.710 50 30 CHEARN C#CCCC1(CCC(=O)N2c3ccccc3CC[C@H]2C)N=N1 ZINC000952882123 1132017308 /nfs/dbraw/zinc/01/73/08/1132017308.db2.gz LWOANPGBWSVISE-CQSZACIVSA-N 0 0 295.386 3.710 50 30 CHEARN CC(C)(C)OC(=O)Nc1cc(C#N)ccc1Br ZINC000259401219 1132690254 /nfs/dbraw/zinc/69/02/54/1132690254.db2.gz LNWJWNIWBIWDNN-UHFFFAOYSA-N 0 0 297.152 3.668 50 30 CHEARN Cc1cccc(Nc2nnc(SCCCC#N)s2)c1 ZINC000006650526 230369886 /nfs/dbraw/zinc/36/98/86/230369886.db2.gz CQEGQQSPFUCJBH-UHFFFAOYSA-N 0 0 290.417 3.986 50 30 CHEARN Cc1nnc(CSc2ccc(C#N)c(C(F)(F)F)c2)o1 ZINC000095997460 185061001 /nfs/dbraw/zinc/06/10/01/185061001.db2.gz FSABYWRBTYRMMF-UHFFFAOYSA-N 0 0 299.277 3.561 50 30 CHEARN CC(C)n1cc2c(n1)[C@@H](NCc1ccc(C#N)cc1)CCC2 ZINC000096002627 185062379 /nfs/dbraw/zinc/06/23/79/185062379.db2.gz QIJXZNICISEHCQ-KRWDZBQOSA-N 0 0 294.402 3.503 50 30 CHEARN N#Cc1ccc2ncc(/C=C\c3nc4ccccc4o3)n2c1 ZINC000096035107 185068524 /nfs/dbraw/zinc/06/85/24/185068524.db2.gz ZUELWIVQFBZTNI-VURMDHGXSA-N 0 0 286.294 3.518 50 30 CHEARN COc1ccc(C(=O)/C=C\c2ccc(F)cc2)cc1F ZINC000096124593 185103453 /nfs/dbraw/zinc/10/34/53/185103453.db2.gz OZZVPLQVEPKSAL-YWEYNIOJSA-N 0 0 274.266 3.870 50 30 CHEARN O=C1/C(=C/c2cccc(O)c2)CC/C1=C/c1cccc(O)c1 ZINC000096766276 185111946 /nfs/dbraw/zinc/11/19/46/185111946.db2.gz ZWTZKZDFAIDISY-CKOAPEAFSA-N 0 0 292.334 3.928 50 30 CHEARN CC(=O)Nc1cccc(C(=O)/C=C\c2ccsc2)c1 ZINC000096766884 185112186 /nfs/dbraw/zinc/11/21/86/185112186.db2.gz ZAWRIUPSRRJQTC-WAYWQWQTSA-N 0 0 271.341 3.603 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1C ZINC000096931554 185131819 /nfs/dbraw/zinc/13/18/19/185131819.db2.gz BKHMMJLMRWLEDY-OQFOIZHKSA-N 0 0 268.312 3.605 50 30 CHEARN O=C(/C=C\c1ccc(F)c(F)c1)c1ccc2c(c1)CCO2 ZINC000096939732 185132948 /nfs/dbraw/zinc/13/29/48/185132948.db2.gz ZHTYKDMRILCRPL-DJWKRKHSSA-N 0 0 286.277 3.796 50 30 CHEARN C=C(C)CSc1n[nH]c(C=Cc2ccccc2)n1 ZINC000096983434 185146358 /nfs/dbraw/zinc/14/63/58/185146358.db2.gz CAPOUAWUOSMOMX-HJWRWDBZSA-N 0 0 257.362 3.643 50 30 CHEARN CCOC(=O)c1ccc(/N=C/c2cccs2)cc1 ZINC000100039041 185702254 /nfs/dbraw/zinc/70/22/54/185702254.db2.gz UUSZEESQASLVQW-XNTDXEJSSA-N 0 0 259.330 3.675 50 30 CHEARN C=CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000091595511 180201080 /nfs/dbraw/zinc/20/10/80/180201080.db2.gz DHRDWIKGXZEUFR-INIZCTEOSA-N 0 0 293.794 3.583 50 30 CHEARN CCCC[C@@H]1C=CCN1C(=O)Nc1ccc(C#N)cc1F ZINC000299790915 200874649 /nfs/dbraw/zinc/87/46/49/200874649.db2.gz BQOGUHOYZYUWMK-CYBMUJFWSA-N 0 0 287.338 3.660 50 30 CHEARN O=C(Nc1ccccc1C#Cc1ccccc1)c1ccco1 ZINC000000051833 169518346 /nfs/dbraw/zinc/51/83/46/169518346.db2.gz LLRADAKZPZZTLY-UHFFFAOYSA-N 0 0 287.318 3.932 50 30 CHEARN C=CCn1c(N)c(-c2nc3ccccc3[nH]2)sc1=S ZINC000000058514 169521675 /nfs/dbraw/zinc/52/16/75/169521675.db2.gz ZQAGWXVDVGMIGQ-UHFFFAOYSA-N 0 0 288.401 3.591 50 30 CHEARN Cc1ccc(Sc2nc(C)c([N+](=O)[O-])c(C)c2C#N)cc1 ZINC000000075456 169527853 /nfs/dbraw/zinc/52/78/53/169527853.db2.gz PSBJAWHNHWIELO-UHFFFAOYSA-N 0 0 299.355 3.938 50 30 CHEARN CC(C)=CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000000145657 169553041 /nfs/dbraw/zinc/55/30/41/169553041.db2.gz KPRFLMYPGRECPQ-JTQLQIEISA-N 0 0 274.389 3.649 50 30 CHEARN O=C1c2[nH]c3ccccc3c2CC/C1=C\c1cccnc1 ZINC000004053887 184530690 /nfs/dbraw/zinc/53/06/90/184530690.db2.gz URYCQYQNCZJJIW-JLHYYAGUSA-N 0 0 274.323 3.775 50 30 CHEARN CCOC(=O)[C@@H](C#N)[C@](C)(c1cccs1)c1ccccc1 ZINC000000532589 169663316 /nfs/dbraw/zinc/66/33/16/169663316.db2.gz QBFZSHHTOKKTFK-RHSMWYFYSA-N 0 0 299.395 3.757 50 30 CHEARN N#Cc1cccc(/C=C\C(=O)c2ccccc2F)c1 ZINC000096298712 256774324 /nfs/dbraw/zinc/77/43/24/256774324.db2.gz DIXFYJOPYWMLTK-HJWRWDBZSA-N 0 0 251.260 3.593 50 30 CHEARN CC(=O)c1cc(C#N)c(SCOc2ccccc2)nc1C ZINC000000496332 256784028 /nfs/dbraw/zinc/78/40/28/256784028.db2.gz BSYJEGNKTGOCRW-UHFFFAOYSA-N 0 0 298.367 3.593 50 30 CHEARN N#Cc1ccccc1NC(=O)/C=C/c1ccccc1Cl ZINC000000579416 169672241 /nfs/dbraw/zinc/67/22/41/169672241.db2.gz HYQGJOQEGNMXFN-MDZDMXLPSA-N 0 0 282.730 3.864 50 30 CHEARN COc1c(C#N)c2nc3ccccc3n2c2ccccc21 ZINC000001279291 169693611 /nfs/dbraw/zinc/69/36/11/169693611.db2.gz DQGFHXDOSCWPAX-UHFFFAOYSA-N 0 0 273.295 3.521 50 30 CHEARN CC(C)Cc1nc(C#N)c(N[C@H](C)c2ccccc2)o1 ZINC000001463471 169707697 /nfs/dbraw/zinc/70/76/97/169707697.db2.gz NYFKUSXHUSFIET-GFCCVEGCSA-N 0 0 269.348 3.918 50 30 CHEARN O=[N+]([O-])c1ccc(/C=C/C=N/c2ccccc2O)cc1 ZINC000001883957 169762096 /nfs/dbraw/zinc/76/20/96/169762096.db2.gz HYFJDUBKWVILOC-RHHLNSGZSA-N 0 0 268.272 3.716 50 30 CHEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000002131660 169775709 /nfs/dbraw/zinc/77/57/09/169775709.db2.gz QMQPMNLTXZMAHI-AWNIVKPZSA-N 0 0 295.638 3.500 50 30 CHEARN N#Cc1ccsc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000002692887 169820689 /nfs/dbraw/zinc/82/06/89/169820689.db2.gz BMMIUNGWKPAVMB-UHFFFAOYSA-N 0 0 282.368 3.751 50 30 CHEARN N#Cc1c(-c2ccc(F)cc2)cc(C(F)(F)F)[nH]c1=S ZINC000002732155 169823006 /nfs/dbraw/zinc/82/30/06/169823006.db2.gz ZLLVXEGUAAGAPD-JTQLQIEISA-N 0 0 298.264 3.693 50 30 CHEARN O=C1C=C(C(Cl)(Cl)Cl)OC12CCCCC2 ZINC000002839650 169836236 /nfs/dbraw/zinc/83/62/36/169836236.db2.gz PKYFWKOWNUDNDR-UHFFFAOYSA-N 0 0 269.555 3.543 50 30 CHEARN Cc1cccc(Nc2nnc(S[C@H](C)C#N)s2)c1C ZINC000003463357 169889751 /nfs/dbraw/zinc/88/97/51/169889751.db2.gz LYMWFICUFJEJFA-SECBINFHSA-N 0 0 290.417 3.903 50 30 CHEARN Cc1cc([N+](=O)[O-])ccc1NC=CC(=O)c1ccccc1 ZINC000004718823 170004672 /nfs/dbraw/zinc/00/46/72/170004672.db2.gz HORBVYWNXBYDSU-MDZDMXLPSA-N 0 0 282.299 3.712 50 30 CHEARN CC1=CC(=C2C(=O)c3ccccc3C2=O)Nc2ccccc21 ZINC000004741335 170009217 /nfs/dbraw/zinc/00/92/17/170009217.db2.gz VRACFQHPPDIYAH-UHFFFAOYSA-N 0 0 287.318 3.849 50 30 CHEARN COc1cccc(C#N)c1OCc1ccccc1Cl ZINC000004807791 170020443 /nfs/dbraw/zinc/02/04/43/170020443.db2.gz IAVCIKQJEYBEJY-UHFFFAOYSA-N 0 0 273.719 3.799 50 30 CHEARN C#CCn1c2ccccc2nc1[C@H](C)Oc1ccccc1 ZINC000004810024 170020747 /nfs/dbraw/zinc/02/07/47/170020747.db2.gz HORNBXGOVSGCJM-AWEZNQCLSA-N 0 0 276.339 3.810 50 30 CHEARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC000004829479 170025523 /nfs/dbraw/zinc/02/55/23/170025523.db2.gz ASSGQEPGOYLKRK-GQCTYLIASA-N 0 0 277.663 3.737 50 30 CHEARN C(=NNc1nc2ccccc2[nH]1)c1ccc2ncccc2c1 ZINC000004864492 170032589 /nfs/dbraw/zinc/03/25/89/170032589.db2.gz JIGHIAFVRABHKK-YBFXNURJSA-N 0 0 287.326 3.557 50 30 CHEARN S=C(NN=C1C2CC3CC(C2)CC1C3)Nc1ccccc1 ZINC000004882401 170035344 /nfs/dbraw/zinc/03/53/44/170035344.db2.gz SXMZAYIWZDEIJS-UHFFFAOYSA-N 0 0 299.443 3.785 50 30 CHEARN Cc1ccc(O)c(C(=O)/C=C/c2ccccc2F)c1 ZINC000004898640 170037723 /nfs/dbraw/zinc/03/77/23/170037723.db2.gz QUHVQSWCEFWVCW-VQHVLOKHSA-N 0 0 256.276 3.736 50 30 CHEARN N#Cc1cccc(COC(=O)c2ccc(Cl)cc2)c1 ZINC000005077308 170064369 /nfs/dbraw/zinc/06/43/69/170064369.db2.gz LDFJSMPFXVBJOY-UHFFFAOYSA-N 0 0 271.703 3.569 50 30 CHEARN CC(=O)c1ccc(NC2=C(Cl)C(=O)C[C@H](C)C2)cc1 ZINC000005200028 170075590 /nfs/dbraw/zinc/07/55/90/170075590.db2.gz AKKGCJDJLITMCL-SECBINFHSA-N 0 0 277.751 3.751 50 30 CHEARN C=C(C)n1c2ccccc2n(Cc2ccc(C)cc2)c1=O ZINC000005235795 170078206 /nfs/dbraw/zinc/07/82/06/170078206.db2.gz QFBDJYPHHHJJNZ-UHFFFAOYSA-N 0 0 278.355 3.650 50 30 CHEARN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 ZINC000005257158 170080527 /nfs/dbraw/zinc/08/05/27/170080527.db2.gz HONRMHJBJQRDGO-VAWYXSNFSA-N 0 0 267.284 3.881 50 30 CHEARN COc1cccc(C/N=C/c2cc(Cl)ccc2O)c1 ZINC000005289396 170083222 /nfs/dbraw/zinc/08/32/22/170083222.db2.gz XTBFOEOTWQGHOA-LICLKQGHSA-N 0 0 275.735 3.673 50 30 CHEARN Oc1ccc(Br)cc1/C=N/Cc1cccs1 ZINC000005289178 170083349 /nfs/dbraw/zinc/08/33/49/170083349.db2.gz UBEDIQMWEVEJRM-VGOFMYFVSA-N 0 0 296.189 3.835 50 30 CHEARN Cc1ccccc1C/N=C/c1cc(Cl)ccc1O ZINC000005292083 170083822 /nfs/dbraw/zinc/08/38/22/170083822.db2.gz ZTBVBDQULFCDNZ-LICLKQGHSA-N 0 0 259.736 3.973 50 30 CHEARN Cn1c2ccccc2nc1C(=O)/C=C/c1ccccc1F ZINC000005314641 170085296 /nfs/dbraw/zinc/08/52/96/170085296.db2.gz ALKHHLUZGIOVEZ-ZHACJKMWSA-N 0 0 280.302 3.609 50 30 CHEARN O=C(/C=C/c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000005335574 170086899 /nfs/dbraw/zinc/08/68/99/170086899.db2.gz BPPOLUHSIHACEM-MDWZMJQESA-N 0 0 291.350 3.710 50 30 CHEARN C(=NNc1nc2ccccc2[nH]1)c1ccnc2ccccc12 ZINC000005456754 170101000 /nfs/dbraw/zinc/10/10/00/170101000.db2.gz ZBTBGVWZZYBOMV-YBFXNURJSA-N 0 0 287.326 3.557 50 30 CHEARN Cc1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005547381 170111516 /nfs/dbraw/zinc/11/15/16/170111516.db2.gz JYBYEOODMLXZOX-OQLLNIDSSA-N 0 0 285.259 3.562 50 30 CHEARN N#Cc1ccsc1NC(=O)CSC1CCCCC1 ZINC000005705298 170131378 /nfs/dbraw/zinc/13/13/78/170131378.db2.gz QJOYYLGWPOYFCC-UHFFFAOYSA-N 0 0 280.418 3.624 50 30 CHEARN CCc1c(C)sc(NC(=O)C(CC)CC)c1C#N ZINC000005719331 170132768 /nfs/dbraw/zinc/13/27/68/170132768.db2.gz UDDPLDVHMMTOOU-UHFFFAOYSA-N 0 0 264.394 3.865 50 30 CHEARN Cc1cccc2c3nnc(N=NC(C)C(C)(C)C)nc3[nH]c21 ZINC000005730768 170134634 /nfs/dbraw/zinc/13/46/34/170134634.db2.gz ZWXIXOYPKQGRRC-GRSHGNNSSA-N 0 0 296.378 3.648 50 30 CHEARN C/C(=N\NC(=S)Nc1ccccc1)c1ccc(C)cc1 ZINC000005798793 170141722 /nfs/dbraw/zinc/14/17/22/170141722.db2.gz FHDLPXDKZMUOJN-QGOAFFKASA-N 0 0 283.400 3.706 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc(Cl)cc1 ZINC000005863108 170148060 /nfs/dbraw/zinc/14/80/60/170148060.db2.gz JPILGPVACOGYCS-UHFFFAOYSA-N 0 0 273.679 3.863 50 30 CHEARN CCc1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1 ZINC000005911393 170154266 /nfs/dbraw/zinc/15/42/66/170154266.db2.gz YIJNRSLUKBTIEM-KPKJPENVSA-N 0 0 252.313 3.851 50 30 CHEARN O=[N+]([O-])c1ccc(NN=Cc2ccco2)c(C(F)(F)F)c1 ZINC000005945203 170160600 /nfs/dbraw/zinc/16/06/00/170160600.db2.gz MGWKRBNWVAZVSN-FRKPEAEDSA-N 0 0 299.208 3.653 50 30 CHEARN N#C[C@]1(c2nc3ccccc3[nH]2)C[C@@H]1c1cccs1 ZINC000006188408 170181793 /nfs/dbraw/zinc/18/17/93/170181793.db2.gz AHDAPILDWDOCPV-MEBBXXQBSA-N 0 0 265.341 3.573 50 30 CHEARN Fc1ccccc1CNC(=S)NC1CCCCC1 ZINC000006335188 170193233 /nfs/dbraw/zinc/19/32/33/170193233.db2.gz HJLIKOHENABMCT-UHFFFAOYSA-N 0 0 266.385 3.534 50 30 CHEARN Cc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000006339147 170193445 /nfs/dbraw/zinc/19/34/45/170193445.db2.gz RFDVSRVGFGDONC-BQYQJAHWSA-N 0 0 273.313 3.861 50 30 CHEARN N#CCCSc1nn(-c2ccccc2)c(=S)s1 ZINC000006543626 170212048 /nfs/dbraw/zinc/21/20/48/170212048.db2.gz MVQYPTSVWPOTOE-UHFFFAOYSA-N 0 0 279.415 3.669 50 30 CHEARN Cc1ccc2c(Cl)cc(Cl)c(OCC#N)c2n1 ZINC000006583412 170215967 /nfs/dbraw/zinc/21/59/67/170215967.db2.gz BVWGQYAEICASDT-UHFFFAOYSA-N 0 0 267.115 3.752 50 30 CHEARN C=CCSc1nnc(Nc2ccccc2OCC)s1 ZINC000006620668 170219488 /nfs/dbraw/zinc/21/94/88/170219488.db2.gz AGBUDHVWTUQEJA-UHFFFAOYSA-N 0 0 293.417 3.959 50 30 CHEARN CCc1c(C)sc(NC(=O)Cc2ccccc2C)c1C#N ZINC000006698722 170227894 /nfs/dbraw/zinc/22/78/94/170227894.db2.gz KFGMXVRVWSHHBW-UHFFFAOYSA-N 0 0 298.411 3.980 50 30 CHEARN Cc1ccccc1CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000006741687 170237723 /nfs/dbraw/zinc/23/77/23/170237723.db2.gz GQXFQKAHZVCYTL-UHFFFAOYSA-N 0 0 296.395 3.598 50 30 CHEARN C=CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000006744866 170238864 /nfs/dbraw/zinc/23/88/64/170238864.db2.gz MCIPPSOXOAMGHQ-CQSZACIVSA-N 0 0 297.354 3.657 50 30 CHEARN C=C(C)COc1ccc(-c2nc(-c3cccnc3)no2)cc1 ZINC000006747013 170239306 /nfs/dbraw/zinc/23/93/06/170239306.db2.gz LHGVPUCCQYNGMD-UHFFFAOYSA-N 0 0 293.326 3.754 50 30 CHEARN C#CCn1c2ccccc2nc1COc1cc(C)ccc1C ZINC000006753156 170240706 /nfs/dbraw/zinc/24/07/06/170240706.db2.gz ZTAJPOXUXYSSGP-UHFFFAOYSA-N 0 0 290.366 3.865 50 30 CHEARN C[C@@H](Oc1ccccc1C#N)C(=O)c1c[nH]c2ccccc21 ZINC000006880178 170252152 /nfs/dbraw/zinc/25/21/52/170252152.db2.gz BEOQFXOKTGASAS-GFCCVEGCSA-N 0 0 290.322 3.690 50 30 CHEARN N#Cc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000006889013 170253383 /nfs/dbraw/zinc/25/33/83/170253383.db2.gz GBGZBAHKDUYTBN-UHFFFAOYSA-N 0 0 292.672 3.742 50 30 CHEARN N#CCSc1nc(-c2ccc(F)cc2)cs1 ZINC000006948321 170258285 /nfs/dbraw/zinc/25/82/85/170258285.db2.gz GFCCRIDPGRUEKL-UHFFFAOYSA-N 0 0 250.323 3.565 50 30 CHEARN CCOc1ccccc1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000007713714 170298432 /nfs/dbraw/zinc/29/84/32/170298432.db2.gz VBROCDZLXHKCQM-VAWYXSNFSA-N 0 0 277.323 3.853 50 30 CHEARN COc1cccc(/C=C/C(=O)c2cc(OC)ccc2OC)c1 ZINC000007744807 170300162 /nfs/dbraw/zinc/30/01/62/170300162.db2.gz CCGBATDXWBHWKZ-VQHVLOKHSA-N 0 0 298.338 3.609 50 30 CHEARN Cc1cc(C)c(NC(=O)CNc2cccc(C#N)c2)c(C)c1 ZINC000007974222 170311057 /nfs/dbraw/zinc/31/10/57/170311057.db2.gz VOZHOUNPCLTOLN-UHFFFAOYSA-N 0 0 293.370 3.534 50 30 CHEARN C[C@H](Oc1cccc(C#N)c1)c1nnc(-c2ccccc2)o1 ZINC000008184751 170322963 /nfs/dbraw/zinc/32/29/63/170322963.db2.gz NHDJWRBDGIBDRX-LBPRGKRZSA-N 0 0 291.310 3.748 50 30 CHEARN COc1cccc(NC(=S)NCc2cccs2)c1 ZINC000008683559 170345548 /nfs/dbraw/zinc/34/55/48/170345548.db2.gz DTRRZHTVQFSZCW-UHFFFAOYSA-N 0 0 278.402 3.655 50 30 CHEARN C[C@H]1CCC/C(=N/NC(=S)Nc2ccccc2)C1 ZINC000008685034 170345627 /nfs/dbraw/zinc/34/56/27/170345627.db2.gz RQRCEVNKLAYFPF-CQINNJSPSA-N 0 0 261.394 3.539 50 30 CHEARN C=CCOc1cccc(NC(=O)NC2CCCCC2)c1 ZINC000008904948 170357995 /nfs/dbraw/zinc/35/79/95/170357995.db2.gz NFNLMJPPEWWVNX-UHFFFAOYSA-N 0 0 274.364 3.706 50 30 CHEARN CCSc1nc2c(c(C(F)(F)F)c1C#N)CCCC2 ZINC000009423261 170376336 /nfs/dbraw/zinc/37/63/36/170376336.db2.gz RSALDNAOUNCDBO-UHFFFAOYSA-N 0 0 286.322 3.963 50 30 CHEARN Cc1sc(NC(=O)Cc2ccccc2F)c(C#N)c1C ZINC000013327160 170545021 /nfs/dbraw/zinc/54/50/21/170545021.db2.gz QOYMDTZCEHEINA-UHFFFAOYSA-N 0 0 288.347 3.557 50 30 CHEARN CNC(=S)Nc1ccc(Nc2ccccc2)cc1 ZINC000013469014 170552909 /nfs/dbraw/zinc/55/29/09/170552909.db2.gz GIDBMBDZOLMSNT-UHFFFAOYSA-N 0 0 257.362 3.758 50 30 CHEARN CC(=O)C(=NNc1ccccc1)Nc1ccccc1Cl ZINC000013473599 170554012 /nfs/dbraw/zinc/55/40/12/170554012.db2.gz DWZRARIDEZJVAU-UHFFFAOYSA-N 0 0 287.750 3.576 50 30 CHEARN CC(C)(C)NNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000013659110 170574675 /nfs/dbraw/zinc/57/46/75/170574675.db2.gz FJCYFMUEKMQFSY-UHFFFAOYSA-N 0 0 291.342 3.706 50 30 CHEARN C=CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000014160562 170620805 /nfs/dbraw/zinc/62/08/05/170620805.db2.gz JLFXHSVZYUCRRR-FLIBITNWSA-N 0 0 295.816 3.727 50 30 CHEARN N#C[C@H](NCCc1ccccc1)c1ccc(Cl)cc1 ZINC000020174274 171041571 /nfs/dbraw/zinc/04/15/71/171041571.db2.gz DYQZDEGDBKRBCS-INIZCTEOSA-N 0 0 270.763 3.737 50 30 CHEARN CN1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 ZINC000020223423 171085524 /nfs/dbraw/zinc/08/55/24/171085524.db2.gz GHSYIDDDJZZVKM-KLCVKJMQSA-N 0 0 289.378 3.668 50 30 CHEARN N#Cc1ccccc1COc1cccc2cccnc21 ZINC000020296959 171136474 /nfs/dbraw/zinc/13/64/74/171136474.db2.gz CBDGQPAKMIELEN-UHFFFAOYSA-N 0 0 260.296 3.685 50 30 CHEARN Cc1sc(NC(=O)c2cccc(N(C)C)c2)c(C#N)c1C ZINC000020836520 171275581 /nfs/dbraw/zinc/27/55/81/171275581.db2.gz JVTQLHQXGZJPLF-UHFFFAOYSA-N 0 0 299.399 3.555 50 30 CHEARN C=C(Cl)COC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000021741138 171321308 /nfs/dbraw/zinc/32/13/08/171321308.db2.gz PCJJVPHOZIYTGM-UHFFFAOYSA-N 0 0 263.724 3.694 50 30 CHEARN N#Cc1cccc(CSc2nnc(C3CCCC3)[nH]2)c1 ZINC000021807663 171328244 /nfs/dbraw/zinc/32/82/44/171328244.db2.gz FXFFXAQWXNTTQM-UHFFFAOYSA-N 0 0 284.388 3.626 50 30 CHEARN N=C(NN=C1CCCCC1)SCc1ccccc1 ZINC000022016912 171349623 /nfs/dbraw/zinc/34/96/23/171349623.db2.gz NNMUQJORAQQCLU-UHFFFAOYSA-N 0 0 261.394 3.764 50 30 CHEARN Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)s1 ZINC000033409708 171790318 /nfs/dbraw/zinc/79/03/18/171790318.db2.gz LZKUKRHYIAJORK-YVMONPNESA-N 0 0 273.313 3.861 50 30 CHEARN N#Cc1cccc(NC(=O)/C=C\c2cccc(Cl)c2)c1 ZINC000033469821 171804957 /nfs/dbraw/zinc/80/49/57/171804957.db2.gz HHMRLGCUKQERJN-FPLPWBNLSA-N 0 0 282.730 3.864 50 30 CHEARN C=C(C)CN(CC)C(=O)c1cc2ccccc2c(Cl)n1 ZINC000037370955 173160288 /nfs/dbraw/zinc/16/02/88/173160288.db2.gz UVRXZWICVNAFKH-UHFFFAOYSA-N 0 0 288.778 3.926 50 30 CHEARN N#Cc1cccc(NC(=O)NCCC2=CCCCC2)c1 ZINC000040098553 174190689 /nfs/dbraw/zinc/19/06/89/174190689.db2.gz VZJRTQLCUKSVEL-UHFFFAOYSA-N 0 0 269.348 3.570 50 30 CHEARN N#Cc1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1 ZINC000040527924 174315003 /nfs/dbraw/zinc/31/50/03/174315003.db2.gz LQROIAOCFBYZNY-HNNXBMFYSA-N 0 0 297.383 3.989 50 30 CHEARN COc1ccc2cc(C(=O)/C=C/c3csnn3)ccc2c1 ZINC000040549470 174326679 /nfs/dbraw/zinc/32/66/79/174326679.db2.gz NBQSPCDATBMRGM-FNORWQNLSA-N 0 0 296.351 3.596 50 30 CHEARN C#Cc1cccc(NC(=O)NC2CCCCCC2)c1 ZINC000043986285 175134885 /nfs/dbraw/zinc/13/48/85/175134885.db2.gz ZPEGZUNWISFUGV-UHFFFAOYSA-N 0 0 256.349 3.512 50 30 CHEARN CCN(C(=O)c1ccoc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000045500027 175381126 /nfs/dbraw/zinc/38/11/26/175381126.db2.gz WXPPLYIBTSEVCY-GFCCVEGCSA-N 0 0 282.343 3.683 50 30 CHEARN CCc1ccc(NCc2cn3ccccc3c2C#N)cc1 ZINC000058177655 175610347 /nfs/dbraw/zinc/61/03/47/175610347.db2.gz VCWOJOLVTSBGSC-UHFFFAOYSA-N 0 0 275.355 3.985 50 30 CHEARN COc1cccc(Nc2c(C#N)cnc3ccc(F)cc32)c1 ZINC000064438652 175691053 /nfs/dbraw/zinc/69/10/53/175691053.db2.gz FWCVMEPMASSJQA-UHFFFAOYSA-N 0 0 293.301 3.998 50 30 CHEARN O=C1NC(=Nc2ccc(F)cc2)C(=Cc2ccncc2)S1 ZINC000071284666 176109242 /nfs/dbraw/zinc/10/92/42/176109242.db2.gz RIYLJVAMUKHPBR-LCYFTJDESA-N 0 0 299.330 3.953 50 30 CHEARN N#Cc1cccc(-c2nccn2Cc2ccc(F)c(F)c2)c1 ZINC000071749189 176259755 /nfs/dbraw/zinc/25/97/55/176259755.db2.gz HDYRCHMXOMTJFP-UHFFFAOYSA-N 0 0 295.292 3.748 50 30 CHEARN N#Cc1ccc(NC[C@@H]2CCCO[C@H]2c2ccccc2)nc1 ZINC000071828012 176272309 /nfs/dbraw/zinc/27/23/09/176272309.db2.gz XECSOFQCJQRPQW-WMZOPIPTSA-N 0 0 293.370 3.533 50 30 CHEARN C[C@@H](Nc1ncnc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000077304227 177250544 /nfs/dbraw/zinc/25/05/44/177250544.db2.gz NNNROLNYDMMVCQ-LLVKDONJSA-N 0 0 292.317 3.814 50 30 CHEARN CCCCCCCCc1nnc(NC(=O)CC)s1 ZINC000002842473 260010377 /nfs/dbraw/zinc/01/03/77/260010377.db2.gz OVUFELJSJGKCAM-UHFFFAOYSA-N 0 0 269.414 3.790 50 30 CHEARN CN(C)c1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1 ZINC000014179458 260078983 /nfs/dbraw/zinc/07/89/83/260078983.db2.gz ONFFDTIDJCEVTE-IZZDOVSWSA-N 0 0 276.339 3.520 50 30 CHEARN Cc1ccc([C@H]2CCCN2c2ccc(C#N)cn2)cc1 ZINC000024754267 260128084 /nfs/dbraw/zinc/12/80/84/260128084.db2.gz PLPXHHKNVBLBDO-MRXNPFEDSA-N 0 0 263.344 3.603 50 30 CHEARN CCCCCCCCCCCC(=O)ON1C(=O)CCC1=O ZINC000071788588 260273843 /nfs/dbraw/zinc/27/38/43/260273843.db2.gz LRKGVVJOUNKTGG-UHFFFAOYSA-N 0 0 297.395 3.515 50 30 CHEARN CCOc1ccccc1CN=Nc1oc(C(C)C)nc1C#N ZINC000004276496 326810773 /nfs/dbraw/zinc/81/07/73/326810773.db2.gz DWAMAZQVUYVPNH-VCHYOVAHSA-N 0 0 298.346 3.514 50 30 CHEARN C=C(C)CNC(=O)Nc1cccc(-c2nccs2)c1 ZINC000156818108 329528410 /nfs/dbraw/zinc/52/84/10/329528410.db2.gz NBTDBVUNLKIBQI-UHFFFAOYSA-N 0 0 273.361 3.508 50 30 CHEARN N#C[C@@H](C(=O)c1coc2ccccc12)c1ccccc1 ZINC000070392281 333246593 /nfs/dbraw/zinc/24/65/93/333246593.db2.gz DKEHUJVTIZIZIW-CQSZACIVSA-N 0 0 261.280 3.923 50 30 CHEARN C=CCN(CC=C)C(=O)c1cc(C)nc2c(C)c(C)ccc12 ZINC000055198815 518766759 /nfs/dbraw/zinc/76/67/59/518766759.db2.gz ZUSGTGOCSHQWLW-UHFFFAOYSA-N 0 0 294.398 3.974 50 30 CHEARN CCCCCCCCS(=O)(=O)Cc1ccccc1 ZINC000002173064 520046295 /nfs/dbraw/zinc/04/62/95/520046295.db2.gz RXNDCEOBMNWUKT-UHFFFAOYSA-N 0 0 268.422 3.962 50 30 CHEARN CCOC(=O)/C(=C\c1cccs1)C(=O)c1ccccc1 ZINC000004724364 520394098 /nfs/dbraw/zinc/39/40/98/520394098.db2.gz VPFDWMKLDNKJPI-KAMYIIQDSA-N 0 0 286.352 3.578 50 30 CHEARN [N-]=[N+]=Nc1ccc(C(=O)Nc2ccc3cc[nH]c3c2)cn1 ZINC000108512521 526391624 /nfs/dbraw/zinc/39/16/24/526391624.db2.gz HQUMPAJVKGTFTH-UHFFFAOYSA-N 0 0 278.275 3.757 50 30 CHEARN C=CCn1c(CCSCc2ccccc2)n[nH]c1=S ZINC000013152839 527319259 /nfs/dbraw/zinc/31/92/59/527319259.db2.gz JDSDZCCZMGTYQG-UHFFFAOYSA-N 0 0 291.445 3.603 50 30 CHEARN CCN(CCC#N)C(=O)Nc1ccccc1SC(C)C ZINC000096474190 528369136 /nfs/dbraw/zinc/36/91/36/528369136.db2.gz GKBMBTPSHBUHJL-UHFFFAOYSA-N 0 0 291.420 3.955 50 30 CHEARN C=CCN(CC=C)C(=O)c1ccc(Cl)cc1Cl ZINC000003196761 567896140 /nfs/dbraw/zinc/89/61/40/567896140.db2.gz TZSFXOKGUUXLSI-UHFFFAOYSA-N 0 0 270.159 3.808 50 30 CHEARN CC(C)(C)[S@](=O)/N=C/c1cccc(C(F)(F)F)c1 ZINC000221155408 570381931 /nfs/dbraw/zinc/38/19/31/570381931.db2.gz UHAPINQRXQBAMZ-WHMKARLCSA-N 0 0 277.311 3.587 50 30 CHEARN N#Cc1cccc(/C=C\c2ccc(N)cc2Cl)c1 ZINC000211014398 566831425 /nfs/dbraw/zinc/83/14/25/566831425.db2.gz FNVDFANNTFBONN-PLNGDYQASA-N 0 0 254.720 3.964 50 30 CHEARN Cc1nnc(Sc2cccc(Cl)c2C#N)s1 ZINC000012695549 566863446 /nfs/dbraw/zinc/86/34/46/566863446.db2.gz QSIAIQLBVIUEHN-UHFFFAOYSA-N 0 0 267.766 3.523 50 30 CHEARN C#CCCC(=O)N(Cc1ccc(C)s1)C1CCCC1 ZINC000055252841 566869815 /nfs/dbraw/zinc/86/98/15/566869815.db2.gz GMLBNNBDHUVMPP-UHFFFAOYSA-N 0 0 275.417 3.741 50 30 CHEARN COc1ccc(C/N=C/c2cccn2-c2nccs2)cc1 ZINC000001407071 566874275 /nfs/dbraw/zinc/87/42/75/566874275.db2.gz AWRLDYAJGBLCQK-SFQUDFHCSA-N 0 0 297.383 3.562 50 30 CHEARN C=C(C)Cn1c2ccccc2nc1[C@H](O)c1ccccc1 ZINC000000612708 566899719 /nfs/dbraw/zinc/89/97/19/566899719.db2.gz UJILOIIQMUGWLZ-QGZVFWFLSA-N 0 0 278.355 3.694 50 30 CHEARN Cc1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1 ZINC000000118921 566907169 /nfs/dbraw/zinc/90/71/69/566907169.db2.gz AWIDGFZLQOKIHU-UHFFFAOYSA-N 0 0 297.741 3.937 50 30 CHEARN Cc1ccc(NC(=O)ON=C2CCCCC2)cc1[N+](=O)[O-] ZINC000004583115 566912146 /nfs/dbraw/zinc/91/21/46/566912146.db2.gz UDGYETCAONSOJR-UHFFFAOYSA-N 0 0 291.307 3.772 50 30 CHEARN COc1cccc(/C=C2/CCc3ccccc3C2=O)c1OC ZINC000017060164 566913517 /nfs/dbraw/zinc/91/35/17/566913517.db2.gz ZOFLFTGJLVVSTA-OWBHPGMISA-N 0 0 294.350 3.916 50 30 CHEARN CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(Cl)n1 ZINC000026439147 566942991 /nfs/dbraw/zinc/94/29/91/566942991.db2.gz ITVKCLCDJFABAT-UHFFFAOYSA-N 0 0 262.662 3.923 50 30 CHEARN C=C(C)[C@@H]1C=C2CC3(CC[C@@]2(C)[C@@H](C#N)C1)OCCO3 ZINC000006293584 566948704 /nfs/dbraw/zinc/94/87/04/566948704.db2.gz VHVPWZSMFUDSIL-FVQBIDKESA-N 0 0 273.376 3.582 50 30 CHEARN Cc1sc(NC(=O)Cc2cccc(F)c2)c(C#N)c1C ZINC000013019508 566960762 /nfs/dbraw/zinc/96/07/62/566960762.db2.gz XZLUCYNFJHFRHA-UHFFFAOYSA-N 0 0 288.347 3.557 50 30 CHEARN N#Cc1cccnc1NCCOc1ccc2ccccc2c1 ZINC000026708426 566964985 /nfs/dbraw/zinc/96/49/85/566964985.db2.gz NRQWXTDFTQSRCH-UHFFFAOYSA-N 0 0 289.338 3.597 50 30 CHEARN CC(=NO)c1ccc(OCc2ccccc2C)cc1 ZINC000242687325 566967685 /nfs/dbraw/zinc/96/76/85/566967685.db2.gz UFLNGABMNAKKLT-UHFFFAOYSA-N 0 0 255.317 3.772 50 30 CHEARN N#Cc1ccc(CN2CCCc3cc(F)cc(F)c32)cc1 ZINC000036753981 567005889 /nfs/dbraw/zinc/00/58/89/567005889.db2.gz VSAQMQGMKWDHAN-UHFFFAOYSA-N 0 0 284.309 3.789 50 30 CHEARN C=CCSCC(=O)O[C@H](CC(C)C)c1ccccn1 ZINC000089821047 567028266 /nfs/dbraw/zinc/02/82/66/567028266.db2.gz VGGWVJMEBQDTJP-CQSZACIVSA-N 0 0 279.405 3.631 50 30 CHEARN N#CC1(CN2CCc3cc(-c4ccccc4)oc3C2)CC1 ZINC000089851142 567028290 /nfs/dbraw/zinc/02/82/90/567028290.db2.gz RDBAIAGRKMMURL-UHFFFAOYSA-N 0 0 278.355 3.608 50 30 CHEARN COc1ccc(C=Nc2ccc3[nH]c(C)nc3c2)cc1 ZINC000252461474 567052361 /nfs/dbraw/zinc/05/23/61/567052361.db2.gz MSMWQQXIWGOISU-UHFFFAOYSA-N 0 0 265.316 3.631 50 30 CHEARN CC(C)=C[C@@H]1[C@H](C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)C1(C)C ZINC000252515221 567062895 /nfs/dbraw/zinc/06/28/95/567062895.db2.gz HWZUYTMXTHSULC-BORJPKMPSA-N 0 0 288.435 3.813 50 30 CHEARN CCOc1ccccc1C=Nc1ccc(C)cc1O ZINC000252592374 567066158 /nfs/dbraw/zinc/06/61/58/567066158.db2.gz BFAYQPONUTUEAE-UHFFFAOYSA-N 0 0 255.317 3.850 50 30 CHEARN Cc1ccc(N=Cc2n[nH]nc2-c2ccccc2)cc1C ZINC000252615295 567068178 /nfs/dbraw/zinc/06/81/78/567068178.db2.gz JQROKOBWGMSQKC-UHFFFAOYSA-N 0 0 276.343 3.839 50 30 CHEARN Cc1oc(C#N)cc1C(=O)Nc1c(C)c(F)ccc1Cl ZINC000242317067 567073476 /nfs/dbraw/zinc/07/34/76/567073476.db2.gz YXALCUPDWCFZAM-UHFFFAOYSA-N 0 0 292.697 3.813 50 30 CHEARN C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CCC2=O ZINC000058482279 567090580 /nfs/dbraw/zinc/09/05/80/567090580.db2.gz LUJVUUWNAPIQQI-LLLOQXOTSA-N 0 0 284.399 3.863 50 30 in-vitro CHEARN Cc1ccc(-c2nc3cc(C#N)ccc3[nH]2)n1-c1cccnc1 ZINC000055341972 567101756 /nfs/dbraw/zinc/10/17/56/567101756.db2.gz MUHACEMLYAQJQF-UHFFFAOYSA-N 0 0 299.337 3.596 50 30 CHEARN CCCC[C@@H](C)C(=O)Nc1cccc2[nH]c(=O)[nH]c21 ZINC000328591873 567118547 /nfs/dbraw/zinc/11/85/47/567118547.db2.gz BGQLQQOBLPYMGJ-SECBINFHSA-N 0 0 261.325 3.683 50 30 CHEARN C=CC(=O)NCc1nn(CCC(C)C)c2ccccc12 ZINC000328597104 567119851 /nfs/dbraw/zinc/11/98/51/567119851.db2.gz DMXOMBAEOAIDSC-UHFFFAOYSA-N 0 0 271.364 3.725 50 30 CHEARN CCc1nc2cc(CNC(=O)C3CC3)ccc2n1C1CC1 ZINC000330031663 567125101 /nfs/dbraw/zinc/12/51/01/567125101.db2.gz CEZQGJXNCLPVQF-UHFFFAOYSA-N 0 0 283.375 3.800 50 30 CHEARN N#CCc1ccc(NCc2cccc(-n3cccn3)c2)cc1 ZINC000097115664 567143980 /nfs/dbraw/zinc/14/39/80/567143980.db2.gz XKVDQKMUQFNAJF-UHFFFAOYSA-N 0 0 288.354 3.550 50 30 CHEARN C[C@@H]1CCN(c2cc(C#N)ccn2)[C@@H](c2ccco2)C1 ZINC000283778657 567144012 /nfs/dbraw/zinc/14/40/12/567144012.db2.gz PWUGYDBDZZXSPY-TZMCWYRMSA-N 0 0 267.332 3.524 50 30 CHEARN N#C[C@H](OC(=O)c1ccccc1)c1cnc2ccccc2c1 ZINC000028294815 567150379 /nfs/dbraw/zinc/15/03/79/567150379.db2.gz WYJJMOGUJWYEJL-KRWDZBQOSA-N 0 0 288.306 3.656 50 30 CHEARN N#Cc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000002648566 567151119 /nfs/dbraw/zinc/15/11/19/567151119.db2.gz QXBWKQLIIIHVCT-UHFFFAOYSA-N 0 0 290.244 3.829 50 30 CHEARN C=CCCCC(=O)Nc1ccccc1Br ZINC000002810271 567153353 /nfs/dbraw/zinc/15/33/53/567153353.db2.gz FIHAMDPNXMFWTP-UHFFFAOYSA-N 0 0 268.154 3.744 50 30 CHEARN COc1cc(C#N)cc(Cl)c1OCc1cccc(F)c1 ZINC000002877417 567153724 /nfs/dbraw/zinc/15/37/24/567153724.db2.gz SFKNRZBLHQWFFK-UHFFFAOYSA-N 0 0 291.709 3.938 50 30 CHEARN CCCOc1cccc(C(=O)Nc2ccccc2C#N)c1 ZINC000002997302 567158776 /nfs/dbraw/zinc/15/87/76/567158776.db2.gz KDZSCRONYSTTPC-UHFFFAOYSA-N 0 0 280.327 3.599 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1F ZINC000057645206 567160253 /nfs/dbraw/zinc/16/02/53/567160253.db2.gz OZZVPLQVEPKSAL-XBXARRHUSA-N 0 0 274.266 3.870 50 30 CHEARN COc1ccc(-c2cc(C3CC3)c(C#N)c(N)c2C#N)cc1 ZINC000003191713 567163113 /nfs/dbraw/zinc/16/31/13/567163113.db2.gz PRBXKDGZUYHJIK-UHFFFAOYSA-N 0 0 289.338 3.565 50 30 CHEARN N#CCOC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000003321920 567167087 /nfs/dbraw/zinc/16/70/87/567167087.db2.gz SMVHMHQWNFCOEJ-UHFFFAOYSA-N 0 0 288.306 3.582 50 30 CHEARN Cc1cccc(Nc2nnc(S[C@@H](C)C#N)s2)c1C ZINC000003463353 567176305 /nfs/dbraw/zinc/17/63/05/567176305.db2.gz LYMWFICUFJEJFA-VIFPVBQESA-N 0 0 290.417 3.903 50 30 CHEARN N#Cc1c(F)cccc1NCc1cc(-c2ccccc2)no1 ZINC000058426246 567178983 /nfs/dbraw/zinc/17/89/83/567178983.db2.gz CCEUZYDIWIZKRV-UHFFFAOYSA-N 0 0 293.301 3.964 50 30 CHEARN Cc1cccc(N[C@H](C#N)c2ccc(-n3ccnc3)cc2)c1 ZINC000004025485 567185699 /nfs/dbraw/zinc/18/56/99/567185699.db2.gz GMOUBHFYHUKCFO-GOSISDBHSA-N 0 0 288.354 3.858 50 30 CHEARN CCCC[C@@H]1CCC[S@+](c2cc(O)ccc2[O-])C1 ZINC000004084789 567187515 /nfs/dbraw/zinc/18/75/15/567187515.db2.gz JJHMEXRLDBFMEI-KZULUSFZSA-O 0 0 267.414 3.675 50 30 CHEARN COc1ccc(/C=C/C(=O)c2cc(C)ccc2O)cc1OC ZINC000004252590 567193025 /nfs/dbraw/zinc/19/30/25/567193025.db2.gz JYFHBDZEZQMBMA-VMPITWQZSA-N 0 0 298.338 3.614 50 30 CHEARN CCN(CC)c1ccc(/N=C/c2cccc(O)c2O)cc1 ZINC000000047481 567816987 /nfs/dbraw/zinc/81/69/87/567816987.db2.gz TZUVTKZXRZUIBZ-LDADJPATSA-N 0 0 284.359 3.695 50 30 CHEARN CCN(CC)c1ccc(/C=N/c2ccc(O)cc2)cc1 ZINC000000046291 567817020 /nfs/dbraw/zinc/81/70/20/567817020.db2.gz HVSYMMFIWFHVSO-QGOAFFKASA-N 0 0 268.360 3.989 50 30 CHEARN CCOc1ccc(/C=N/c2cccc([N+](=O)[O-])c2)cc1 ZINC000000065633 567817349 /nfs/dbraw/zinc/81/73/49/567817349.db2.gz HQDDVALWUYLTBK-LFIBNONCSA-N 0 0 270.288 3.744 50 30 CHEARN N#CC(=NNc1ccc(Cl)cc1)C(=O)c1ccsc1 ZINC000000108551 567818459 /nfs/dbraw/zinc/81/84/59/567818459.db2.gz SJYGUKHFZCOYMF-SFQUDFHCSA-N 0 0 289.747 3.576 50 30 CHEARN Oc1ccc2oc3c(c2c1/C=N/N1CCCCC1)CCCC3 ZINC000000201733 567822117 /nfs/dbraw/zinc/82/21/17/567822117.db2.gz AHUHFXVHDXJDMX-XDHOZWIPSA-N 0 0 298.386 3.837 50 30 CHEARN O=C1c2ccccc2CC/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000000214627 567822616 /nfs/dbraw/zinc/82/26/16/567822616.db2.gz AWXLDILHUGGCBX-UVTDQMKNSA-N 0 0 279.295 3.807 50 30 CHEARN COc1cc(/C=N/c2cc(C)ccc2C)ccc1OC(C)=O ZINC000000273828 567823723 /nfs/dbraw/zinc/82/37/23/567823723.db2.gz GQHWAEXPAYFKHU-YBFXNURJSA-N 0 0 297.354 3.988 50 30 CHEARN CC(C)c1ccc(/C=N/c2ccccc2C(N)=O)cc1 ZINC000000297326 567824291 /nfs/dbraw/zinc/82/42/91/567824291.db2.gz PKTIDXZKHBNOQS-YBFXNURJSA-N 0 0 266.344 3.660 50 30 CHEARN CC[C@]1(C#N)c2ccccc2C=CN1C(=O)c1ccccc1 ZINC000000386966 567828497 /nfs/dbraw/zinc/82/84/97/567828497.db2.gz ZUQCLHZNTDZNJZ-IBGZPJMESA-N 0 0 288.350 3.942 50 30 CHEARN COc1ccc(-c2csc(N=NC(C)C)n2)cc1 ZINC000001020641 567835723 /nfs/dbraw/zinc/83/57/23/567835723.db2.gz JJROBJWDPANJIS-UHFFFAOYSA-N 0 0 261.350 3.626 50 30 CHEARN CN(C)/C=C/C(=O)c1ccc(C2CCCCC2)cc1 ZINC000001384371 567836787 /nfs/dbraw/zinc/83/67/87/567836787.db2.gz RNMRJYNSHZUWEE-OUKQBFOZSA-N 0 0 257.377 3.992 50 30 CHEARN Cc1[nH]c2ccccc2c1C1=CC(=O)c2ccccc2C1=O ZINC000001691953 567841603 /nfs/dbraw/zinc/84/16/03/567841603.db2.gz WUJQCQKYMKWDSU-UHFFFAOYSA-N 0 0 287.318 3.939 50 30 CHEARN O=C1c2ccccc2CC/C1=C/c1ccccc1[N+](=O)[O-] ZINC000001744901 567843183 /nfs/dbraw/zinc/84/31/83/567843183.db2.gz SWEJFWNQBMCNKA-KAMYIIQDSA-N 0 0 279.295 3.807 50 30 CHEARN N#CCSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000002671168 567848905 /nfs/dbraw/zinc/84/89/05/567848905.db2.gz DCNQPCLGPPAQHL-UHFFFAOYSA-N 0 0 298.396 3.611 50 30 CHEARN c1sc(N=NCc2ccccc2)nc1-c1ccccc1 ZINC000003898794 567854127 /nfs/dbraw/zinc/85/41/27/567854127.db2.gz DWKMMHAIALSICX-GZTJUZNOSA-N 0 0 279.368 3.678 50 30 CHEARN CCCCCC(C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003898484 567854138 /nfs/dbraw/zinc/85/41/38/567854138.db2.gz KTYJXSWYTPRVIA-GXDHUFHOSA-N 0 0 294.311 3.871 50 30 CHEARN O=[N+]([O-])c1ccccc1N=NCc1ccccc1Cl ZINC000004014812 567854502 /nfs/dbraw/zinc/85/45/02/567854502.db2.gz VMYPXLBUMROAIU-OQLLNIDSSA-N 0 0 275.695 3.694 50 30 CHEARN O=C(/C=C/c1ccco1)c1ccc(Br)cc1 ZINC000004031644 567855059 /nfs/dbraw/zinc/85/50/59/567855059.db2.gz HMVCKSXANOKQAS-BQYQJAHWSA-N 0 0 277.117 3.938 50 30 CHEARN N#CCCCCn1c2ccccc2nc1-c1cncs1 ZINC000004092803 567855070 /nfs/dbraw/zinc/85/50/70/567855070.db2.gz SDMDKNIEDIZLFG-UHFFFAOYSA-N 0 0 282.372 3.854 50 30 CHEARN CC1CC[NH+](c2[n-]c(=S)c(C#N)c3c2CCCC3)CC1 ZINC000013454388 567855144 /nfs/dbraw/zinc/85/51/44/567855144.db2.gz SBAMMDXRXIIZJP-UHFFFAOYSA-N 0 0 287.432 3.731 50 30 CHEARN CSc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004188203 567855889 /nfs/dbraw/zinc/85/58/89/567855889.db2.gz RMFPZJBQZMODMX-XNTDXEJSSA-N 0 0 287.344 3.763 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(O)cc2C)cc1 ZINC000004252604 567856345 /nfs/dbraw/zinc/85/63/45/567856345.db2.gz AJFTWGKYXHISKT-BJMVGYQFSA-N 0 0 268.312 3.605 50 30 biogenic,in-vitro CHEARN C(=NNc1ccccc1)c1nc2ccccc2s1 ZINC000004389998 567857539 /nfs/dbraw/zinc/85/75/39/567857539.db2.gz HQPNSDYDYJDSHY-XNTDXEJSSA-N 0 0 253.330 3.742 50 30 CHEARN CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(C)cc2)c1 ZINC000004649214 567858558 /nfs/dbraw/zinc/85/85/58/567858558.db2.gz HOVVXKGAGABDLF-ZHACJKMWSA-N 0 0 279.339 3.850 50 30 CHEARN O=C1c2cc(F)ccc2OCC/C1=C\c1cccc(O)c1 ZINC000012823158 567864509 /nfs/dbraw/zinc/86/45/09/567864509.db2.gz UOGKILOFKXOELZ-XYOKQWHBSA-N 0 0 284.286 3.580 50 30 CHEARN CC(C)N=C(Nc1ccnn1C(C)C)c1ccccc1 ZINC000013016782 567864798 /nfs/dbraw/zinc/86/47/98/567864798.db2.gz FSICAALNTQUDBH-UHFFFAOYSA-N 0 0 270.380 3.731 50 30 CHEARN N#CC(=NNc1ccccc1Cl)C(=O)c1ccccc1 ZINC000013111737 567864869 /nfs/dbraw/zinc/86/48/69/567864869.db2.gz HODJHOPTLYTMCQ-XMHGGMMESA-N 0 0 283.718 3.514 50 30 CHEARN CC(C)n1nccc1NC(=NC1CC1)c1ccc(F)cc1 ZINC000013016776 567864913 /nfs/dbraw/zinc/86/49/13/567864913.db2.gz HERMRIKRSNJIOT-UHFFFAOYSA-N 0 0 286.354 3.624 50 30 CHEARN COc1cccc(/C=N/c2ccc(C)c(F)c2)c1O ZINC000013130825 567865274 /nfs/dbraw/zinc/86/52/74/567865274.db2.gz LIAXUEYFJGDEDE-RQZCQDPDSA-N 0 0 259.280 3.599 50 30 CHEARN CC(=CC(=O)c1ccccc1)Nc1ccc(O)cc1 ZINC000013468226 567866264 /nfs/dbraw/zinc/86/62/64/567866264.db2.gz RTUAPGPGSOLTSC-VAWYXSNFSA-N 0 0 253.301 3.591 50 30 CHEARN O=[N+]([O-])c1ccc(C=NNc2ccc(Cl)cc2)cc1 ZINC000004548065 567869611 /nfs/dbraw/zinc/86/96/11/567869611.db2.gz VUMNZESWIVGWON-OQLLNIDSSA-N 0 0 275.695 3.694 50 30 CHEARN COc1cccc(C(=O)C=CNc2ccc(C)cc2O)c1 ZINC000004562379 567870526 /nfs/dbraw/zinc/87/05/26/567870526.db2.gz HQPYZLOEIWCQHR-CMDGGOBGSA-N 0 0 283.327 3.518 50 30 CHEARN Cc1ccc(NC(=S)N/N=C2/CCC[C@H](C)C2)cc1 ZINC000016134171 567872344 /nfs/dbraw/zinc/87/23/44/567872344.db2.gz FGHBFLJBDNXLIJ-SEQUMDBASA-N 0 0 275.421 3.848 50 30 CHEARN COc1ccc(C(=O)C=CNc2ccc(C(C)=O)cc2)cc1 ZINC000016321931 567872572 /nfs/dbraw/zinc/87/25/72/567872572.db2.gz ULAXPQDRGLKDBN-VAWYXSNFSA-N 0 0 295.338 3.706 50 30 CHEARN Cc1ccc(C(=O)C(C#N)=NNc2ccccc2Cl)cc1 ZINC000017201613 567875171 /nfs/dbraw/zinc/87/51/71/567875171.db2.gz HQEKESYRVDAIDE-HKWRFOASSA-N 0 0 297.745 3.823 50 30 CHEARN Cc1ccc(C)c(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000018116214 567876564 /nfs/dbraw/zinc/87/65/64/567876564.db2.gz RWAGFGBMJGYDPF-CAOOACKPSA-N 0 0 298.298 3.691 50 30 CHEARN CC1(C)CC(=O)C=C(Nc2ccc3c(c2)CCC3)C1 ZINC000018222865 567876819 /nfs/dbraw/zinc/87/68/19/567876819.db2.gz PTKAKHOTVANSQQ-UHFFFAOYSA-N 0 0 255.361 3.860 50 30 CHEARN CN(c1c(F)cc(C#N)cc1F)C1CCCCC1 ZINC000060196906 567877478 /nfs/dbraw/zinc/87/74/78/567877478.db2.gz UICZCIZCFZTBQQ-UHFFFAOYSA-N 0 0 250.292 3.605 50 30 CHEARN N#CCC(=O)c1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000019735936 567878546 /nfs/dbraw/zinc/87/85/46/567878546.db2.gz ZRJOVAIMCRQQNJ-UHFFFAOYSA-N 0 0 290.322 3.843 50 30 CHEARN O=C1c2cc(Cl)ccc2O/C1=C\c1ccc(O)cc1 ZINC000020032240 567880373 /nfs/dbraw/zinc/88/03/73/567880373.db2.gz HEWGEPRUVCNWBS-AUWJEWJLSA-N 0 0 272.687 3.662 50 30 CHEARN COc1ccc(/C=C2\CCOc3ccc(F)cc3C2=O)cc1 ZINC000023053443 567881767 /nfs/dbraw/zinc/88/17/67/567881767.db2.gz OWMSRUJURCVFLS-JLHYYAGUSA-N 0 0 298.313 3.883 50 30 CHEARN COc1ccc(-c2nc(C#N)c(N3CCCCCC3)o2)cc1 ZINC000000467975 567885387 /nfs/dbraw/zinc/88/53/87/567885387.db2.gz DAAIJRXRTWDBNW-UHFFFAOYSA-N 0 0 297.358 3.602 50 30 CHEARN CC(C)(C)c1cc(C(C#N)C#N)c(C(C)(C)C)c(O)c1O ZINC000022064100 567888542 /nfs/dbraw/zinc/88/85/42/567888542.db2.gz PIHNWOJPCLEHPU-UHFFFAOYSA-N 0 0 286.375 3.824 50 30 CHEARN CCCc1[nH]nc2c1C(=NO)C[C@H](C[C@@H](C)SCC)C2 ZINC000104423909 567888832 /nfs/dbraw/zinc/88/88/32/567888832.db2.gz BUXDUGLGKALBHG-XRIVAGQSSA-N 0 0 295.452 3.635 50 30 CHEARN Cc1cc2c(cc1C(=O)/C=C/N(C)C)[C@@H](C)CC(C)(C)N2 ZINC000575421802 567892734 /nfs/dbraw/zinc/89/27/34/567892734.db2.gz GPFBVQJWHQSKFI-GWJCSSMESA-N 0 0 286.419 3.951 50 30 CHEARN C[C@H](Nc1cc(C#N)c(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000004622905 567894403 /nfs/dbraw/zinc/89/44/03/567894403.db2.gz SDPKTRZDDFHWNB-NSHDSACASA-N 0 0 292.298 3.511 50 30 CHEARN CCN(CCC#N)Cc1cc(C(C)C)c(C)cc1O ZINC000060159889 567896709 /nfs/dbraw/zinc/89/67/09/567896709.db2.gz MWZVLONCCHQSQN-UHFFFAOYSA-N 0 0 260.381 3.560 50 30 CHEARN Cc1nc([C@@H](C)N(C)Cc2cccc(C#N)c2)c(C)s1 ZINC000065493477 567899536 /nfs/dbraw/zinc/89/95/36/567899536.db2.gz AMMZGIJQQUNSMW-LLVKDONJSA-N 0 0 285.416 3.825 50 30 CHEARN C[C@@H]1CCC[C@@H](NC(=O)c2ccccc2SCC#N)C1 ZINC000033183858 567901758 /nfs/dbraw/zinc/90/17/58/567901758.db2.gz BZSPTDBNORWIMI-CHWSQXEVSA-N 0 0 288.416 3.611 50 30 CHEARN N#CCc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000000033755 567904545 /nfs/dbraw/zinc/90/45/45/567904545.db2.gz ZFHJOGTZHBISLT-UHFFFAOYSA-N 0 0 270.719 3.658 50 30 CHEARN N#Cc1ccc(C(F)(F)F)c(NCc2ccccn2)c1 ZINC000097163520 567905302 /nfs/dbraw/zinc/90/53/02/567905302.db2.gz JBTONSNHMPVUAE-UHFFFAOYSA-N 0 0 277.249 3.584 50 30 CHEARN Cc1ccc(C(=O)O/N=C/c2ccc(Cl)cc2)cc1 ZINC000000041734 567905580 /nfs/dbraw/zinc/90/55/80/567905580.db2.gz NEQURLHDKLUCDM-LICLKQGHSA-N 0 0 273.719 3.839 50 30 CHEARN C=CCc1cccc(/C=N/c2ccc(Cl)cn2)c1O ZINC000000058583 567906134 /nfs/dbraw/zinc/90/61/34/567906134.db2.gz NZXHVCWOBGXMQH-RQZCQDPDSA-N 0 0 272.735 3.920 50 30 CHEARN CC(=CC(=O)C(F)(F)F)Nc1ccc(Cl)cc1 ZINC000100095011 567912146 /nfs/dbraw/zinc/91/21/46/567912146.db2.gz ALVZUIICMNNRGC-VOTSOKGWSA-N 0 0 263.646 3.787 50 30 CHEARN CCCc1noc2c1/C(=N\O)C[C@@H](C[C@H](C)SCC)C2 ZINC000100525972 567913435 /nfs/dbraw/zinc/91/34/35/567913435.db2.gz WVAQCLFHSSAAFE-PVKAUPSBSA-N 0 0 296.436 3.900 50 30 CHEARN CCCCCCCCCCC[C@H]1CC(=O)NC(=O)[C@H]1C#N ZINC000100721576 567913721 /nfs/dbraw/zinc/91/37/21/567913721.db2.gz GOWVTRFLZJNOFW-GJZGRUSLSA-N 0 0 292.423 3.710 50 30 CHEARN N#C[C@H](C(=O)c1cc(F)c(F)cc1Cl)c1ccccn1 ZINC000003171841 567923735 /nfs/dbraw/zinc/92/37/35/567923735.db2.gz PQKMHPXJDLUXDU-VIFPVBQESA-N 0 0 292.672 3.503 50 30 CHEARN N#Cc1c2nc3ccccc3n2c(O)cc1-c1ccccc1 ZINC000000154542 567923897 /nfs/dbraw/zinc/92/38/97/567923897.db2.gz NVGXSDBCXQMJJK-UHFFFAOYSA-N 0 0 285.306 3.732 50 30 CHEARN CCOC(=O)c1ccc(NC2=CC(=O)CC(C)(C)C2)cc1 ZINC000000186183 567924655 /nfs/dbraw/zinc/92/46/55/567924655.db2.gz GXFUTSFNTOPMTG-UHFFFAOYSA-N 0 0 287.359 3.548 50 30 CHEARN O=[N+]([O-])c1cc(/C=N/c2ccc(O)cc2)ccc1Cl ZINC000000292315 567926527 /nfs/dbraw/zinc/92/65/27/567926527.db2.gz KBBRMGXKUYMAEO-OVCLIPMQSA-N 0 0 276.679 3.704 50 30 CHEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000118912393 567927362 /nfs/dbraw/zinc/92/73/62/567927362.db2.gz MUMGGOZAMZWBJJ-DYKIIFRCSA-N 0 0 288.431 3.879 50 30 endogenous,fda CHEARN CCCCCC[C@@H]1CC(=O)C=C(C)[C@@H]1C(=O)OCC ZINC000100740978 567928635 /nfs/dbraw/zinc/92/86/35/567928635.db2.gz DMEWCRDHMNIMEM-HIFRSBDPSA-N 0 0 266.381 3.671 50 30 biogenic CHEARN CCc1ccc(CN=Nc2oc(C(C)(C)C)nc2C#N)cc1 ZINC000011915226 567928954 /nfs/dbraw/zinc/92/89/54/567928954.db2.gz ZHHLMIAGMOLVSD-YBFXNURJSA-N 0 0 296.374 3.852 50 30 CHEARN C=CCOc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000002536804 567930612 /nfs/dbraw/zinc/93/06/12/567930612.db2.gz ZEPCCVFLTPWQIZ-DHZHZOJOSA-N 0 0 277.370 3.581 50 30 CHEARN C=CCn1c(=S)[nH]nc1[C@H](C)Oc1ccc(C)cc1 ZINC000002526632 567930829 /nfs/dbraw/zinc/93/08/29/567930829.db2.gz FPSUYMFRUVLWKW-NSHDSACASA-N 0 0 275.377 3.575 50 30 CHEARN Cc1ccccc1N/N=C1/Sc2ccccc2C1=O ZINC000100913174 567939320 /nfs/dbraw/zinc/93/93/20/567939320.db2.gz OZBQXRUPNMIPQE-BMRADRMJSA-N 0 0 268.341 3.709 50 30 CHEARN Cc1[nH]nc2c1[C@H](C)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018197825 567940435 /nfs/dbraw/zinc/94/04/35/567940435.db2.gz NQFWDQMXEDUHLS-WCBMZHEXSA-N 0 0 299.399 3.709 50 30 CHEARN CCOc1ccc(-c2nc(C#N)c(NCC(C)C)o2)cc1 ZINC000000536075 567942725 /nfs/dbraw/zinc/94/27/25/567942725.db2.gz IROUKZOTVIDYIO-UHFFFAOYSA-N 0 0 285.347 3.680 50 30 CHEARN Cc1ccccc1-c1nc(C#N)c(N2CCC(C)CC2)o1 ZINC000000535897 567942743 /nfs/dbraw/zinc/94/27/43/567942743.db2.gz FCWLHRRLZFKYFE-UHFFFAOYSA-N 0 0 281.359 3.758 50 30 CHEARN CCOc1ccc(C(=O)C=CNc2cccc(C#N)c2)cc1 ZINC000051318806 567944258 /nfs/dbraw/zinc/94/42/58/567944258.db2.gz AXZZRGRYLPCSGH-ZHACJKMWSA-N 0 0 292.338 3.765 50 30 CHEARN N#C[C@@H](C(=O)CCCc1ccc(Cl)cc1)c1ccccn1 ZINC000049458368 567946946 /nfs/dbraw/zinc/94/69/46/567946946.db2.gz CFFZXQJQIHRGSA-OAHLLOKOSA-N 0 0 298.773 3.934 50 30 CHEARN CN1c2ccccc2C(C)(C)/C1=C\C=C1C=CC(=O)C=C1 ZINC000201329321 567950223 /nfs/dbraw/zinc/95/02/23/567950223.db2.gz JDSFIEKGBFHVTD-QGOAFFKASA-N 0 0 277.367 3.919 50 30 CHEARN CC1=NOC(=O)/C1=C/c1ccc(-c2ccccc2)cc1 ZINC000013540125 570237631 /nfs/dbraw/zinc/23/76/31/570237631.db2.gz BGAPTWCHNFGDQK-LFIBNONCSA-N 0 0 263.296 3.670 50 30 CHEARN C=CCn1c2ccccc2nc1NCc1ccc(C)o1 ZINC000004662973 570247249 /nfs/dbraw/zinc/24/72/49/570247249.db2.gz QROYREAHPUIBAY-UHFFFAOYSA-N 0 0 267.332 3.736 50 30 CHEARN O=C1c2ccccc2CCC1=CNc1ccccc1O ZINC000100460701 570258911 /nfs/dbraw/zinc/25/89/11/570258911.db2.gz ZKQLAYNMBCJOCL-ACCUITESSA-N 0 0 265.312 3.517 50 30 CHEARN N#Cc1ccc(C(=O)N2CCCSc3ccccc32)cc1 ZINC000024049910 570264782 /nfs/dbraw/zinc/26/47/82/570264782.db2.gz IGLWFEPNMULTIN-UHFFFAOYSA-N 0 0 294.379 3.701 50 30 CHEARN CO[C@H](/C(=N/O)c1ccc(Cl)cc1)c1ccccc1 ZINC000100285452 570266404 /nfs/dbraw/zinc/26/64/04/570266404.db2.gz GWIGKMUIRGDAEF-JEFCNZTNSA-N 0 0 275.735 3.906 50 30 CHEARN CSc1nc2c(c(-c3ccc(O)cc3)c1C#N)CCCC2 ZINC000000245783 570296867 /nfs/dbraw/zinc/29/68/67/570296867.db2.gz KXDAZZNECWGRCM-UHFFFAOYSA-N 0 0 296.395 3.927 50 30 CHEARN Clc1ccc(/C=N/c2ccc3c(c2)OCO3)cc1 ZINC000003181965 570308894 /nfs/dbraw/zinc/30/88/94/570308894.db2.gz ZEHXDFPQLBOXGT-LZYBPNLTSA-N 0 0 259.692 3.819 50 30 CHEARN C=C(Br)Cc1cc(Cl)ccc1OC ZINC000043209528 570331074 /nfs/dbraw/zinc/33/10/74/570331074.db2.gz OVLNNACRNDUQCL-UHFFFAOYSA-N 0 0 261.546 3.800 50 30 CHEARN C=CC[N@@H+](C)Cc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000065526189 570335821 /nfs/dbraw/zinc/33/58/21/570335821.db2.gz YXBONPWRZJGHMH-UHFFFAOYSA-N 0 0 298.361 3.696 50 30 CHEARN C#C[C@@]1(C)CC[C@H]2[C@H](O1)c1ccccc1OC2(C)C ZINC000003881663 570337722 /nfs/dbraw/zinc/33/77/22/570337722.db2.gz XJYIHLZPVJZAOI-LXZKKBNFSA-N 0 0 256.345 3.717 50 30 CHEARN C=C(C)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000014017010 570340614 /nfs/dbraw/zinc/34/06/14/570340614.db2.gz BCQYJTOBJVFJTM-UHFFFAOYSA-N 0 0 299.326 3.573 50 30 CHEARN COc1ccc([C@H](C#N)[C@@H](C#N)c2ccccc2)cc1 ZINC000000397082 570342538 /nfs/dbraw/zinc/34/25/38/570342538.db2.gz BROIWEJXIAKVSL-IRXDYDNUSA-N 0 0 262.312 3.610 50 30 CHEARN C=C(C)CN(CC)C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000150907634 570345090 /nfs/dbraw/zinc/34/50/90/570345090.db2.gz AVIQBIDITPELQK-UHFFFAOYSA-N 0 0 298.390 3.517 50 30 CHEARN C=CCOc1ccc2oc(-c3ccco3)cc(=O)c2c1 ZINC000001978190 570356956 /nfs/dbraw/zinc/35/69/56/570356956.db2.gz IVLBFYNFFSCRKH-UHFFFAOYSA-N 0 0 268.268 3.618 50 30 CHEARN Fc1ccccc1C=NNC1=Nc2cccc3cccc1c23 ZINC000588039400 570362871 /nfs/dbraw/zinc/36/28/71/570362871.db2.gz IXLPFXLIYCVMJP-UHFFFAOYSA-N 0 0 289.313 3.994 50 30 CHEARN N#Cc1cc2ccc(Br)cc2nc1Cl ZINC000011985205 570394514 /nfs/dbraw/zinc/39/45/14/570394514.db2.gz ULYBPRZCSBMLLP-UHFFFAOYSA-N 0 0 267.513 3.522 50 30 CHEARN C=Cc1ccc(C(=O)Nc2sccc2C#N)cc1 ZINC000253416192 570385327 /nfs/dbraw/zinc/38/53/27/570385327.db2.gz UCXQEPAKCLNBCK-UHFFFAOYSA-N 0 0 254.314 3.515 50 30 CHEARN Cc1cc(-c2ccccc2)c2c(N)c(C#N)sc2n1 ZINC000000196708 570387160 /nfs/dbraw/zinc/38/71/60/570387160.db2.gz RECLPXITWLKSRE-UHFFFAOYSA-N 0 0 265.341 3.726 50 30 CHEARN N#Cc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000000385367 570387895 /nfs/dbraw/zinc/38/78/95/570387895.db2.gz XQHNFBJKPLDKBA-UHFFFAOYSA-N 0 0 290.244 3.829 50 30 CHEARN Cc1cccc(C)c1NC(=O)Nc1cccc(C#N)c1 ZINC000000397950 570388192 /nfs/dbraw/zinc/38/81/92/570388192.db2.gz SSRJIOAPSHOPPC-UHFFFAOYSA-N 0 0 265.316 3.819 50 30 CHEARN CC[C@@H](c1ccccn1)N(C)Cc1ccccc1C#N ZINC000067974568 570394178 /nfs/dbraw/zinc/39/41/78/570394178.db2.gz DSEIGSBRMHHNNL-KRWDZBQOSA-N 0 0 265.360 3.536 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc2c(c1)CCC2 ZINC000002637492 570397319 /nfs/dbraw/zinc/39/73/19/570397319.db2.gz GJNJGXZENBALDQ-UHFFFAOYSA-N 0 0 280.283 3.747 50 30 CHEARN C#Cc1cccc(NC(=O)c2ccc(-c3cnco3)cc2)c1 ZINC000047623890 570412525 /nfs/dbraw/zinc/41/25/25/570412525.db2.gz PIGWOZAIKQWCKD-UHFFFAOYSA-N 0 0 288.306 3.575 50 30 CHEARN CCc1nc(SCc2cccnc2)c(C#N)cc1C ZINC000002585636 1125432162 /nfs/dbraw/zinc/43/21/62/1125432162.db2.gz MXITZBMKGRJDFQ-UHFFFAOYSA-N 0 0 269.373 3.511 50 30 CHEARN C=CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000067847876 1125679403 /nfs/dbraw/zinc/67/94/03/1125679403.db2.gz DXUJYHCJTFJIGH-HLLBOEOZSA-N 0 0 285.362 3.553 50 30 CHEARN CCON=C(C)c1ccc(-n2cnc3ccccc32)cc1 ZINC000254823461 1127160197 /nfs/dbraw/zinc/16/01/97/1127160197.db2.gz JEJMYCISDAJAKF-UHFFFAOYSA-N 0 0 279.343 3.786 50 30 CHEARN Cc1[nH]c2ccccc2c1/C=N/Cc1cn2ccccc2n1 ZINC000012523653 1127889133 /nfs/dbraw/zinc/88/91/33/1127889133.db2.gz DVECYSSWBGHYKI-YBFXNURJSA-N 0 0 288.354 3.743 50 30 CHEARN Cc1cn2c(/C=C3\Cc4ccccc4C3=O)c(C)nc2s1 ZINC000012541275 1127894790 /nfs/dbraw/zinc/89/47/90/1127894790.db2.gz OLWANMDTQWZCRF-MDWZMJQESA-N 0 0 294.379 3.835 50 30 CHEARN COc1ccc(N=Cc2ccc3ncccc3c2)cc1 ZINC000252634790 1128860983 /nfs/dbraw/zinc/86/09/83/1128860983.db2.gz WQTDKYKBQNRGID-UHFFFAOYSA-N 0 0 262.312 3.994 50 30 CHEARN Cc1ccc(NC(=S)NN=C2CCCC[C@H]2C)cc1 ZINC000013144529 1119782545 /nfs/dbraw/zinc/78/25/45/1119782545.db2.gz OZBSRQUCTJBHSD-GFCCVEGCSA-N 0 0 275.421 3.848 50 30 CHEARN Cc1cc(N=Cc2cccc([N+](=O)[O-])c2)cc(C)c1O ZINC000252637806 1128895983 /nfs/dbraw/zinc/89/59/83/1128895983.db2.gz XWLMNHNNJIEBLV-UHFFFAOYSA-N 0 0 270.288 3.668 50 30 CHEARN CCCCNC(C)=C1Sc2ccc(OCC)cc2C1=O ZINC000103067518 1120244910 /nfs/dbraw/zinc/24/49/10/1120244910.db2.gz CQFUQZBYDLOSQZ-WJDWOHSUSA-N 0 0 291.416 3.995 50 30 CHEARN N#Cc1cccc(NC(=O)c2cc(F)c(F)cc2Cl)c1 ZINC000002663194 1120664191 /nfs/dbraw/zinc/66/41/91/1120664191.db2.gz XCGZXESPBKOESD-UHFFFAOYSA-N 0 0 292.672 3.742 50 30 CHEARN [N-]=[N+]=Nc1ccc(C(=O)Nc2ccc3[nH]ccc3c2)cn1 ZINC000108514542 1120752802 /nfs/dbraw/zinc/75/28/02/1120752802.db2.gz ZKORTSRIYXOWOI-UHFFFAOYSA-N 0 0 278.275 3.757 50 30 CHEARN CCn1c2ccccc2nc1/N=C/c1ccc(O)cc1 ZINC000004955972 1120931556 /nfs/dbraw/zinc/93/15/56/1120931556.db2.gz FNFVNKFVIKWSHN-GZTJUZNOSA-N 0 0 265.316 3.512 50 30 CHEARN CC(C)n1cc(C(=O)/C=C\c2ccc(C(F)(F)F)[nH]2)cn1 ZINC000606442926 1121665376 /nfs/dbraw/zinc/66/53/76/1121665376.db2.gz YMAWBEIPKMMVQW-HYXAFXHYSA-N 0 0 297.280 3.707 50 30 CHEARN CCc1ccc(C=NN=c2sc3ccccc3n2C)cc1 ZINC000606347228 1121665846 /nfs/dbraw/zinc/66/58/46/1121665846.db2.gz XROIKKRIRIOFPS-UHFFFAOYSA-N 0 0 295.411 3.737 50 30 CHEARN O=C1c2ccccc2SC1=CNc1cccc([N+](=O)[O-])c1 ZINC000100482236 1121729401 /nfs/dbraw/zinc/72/94/01/1121729401.db2.gz QWIZEEYKCSJENF-ZROIWOOFSA-N 0 0 298.323 3.837 50 30 CHEARN CN(C(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1ccc(C#N)nc1 ZINC000598848456 1123864110 /nfs/dbraw/zinc/86/41/10/1123864110.db2.gz SIQIBTQNRYNANG-SHTZXODSSA-N 0 0 297.402 3.523 50 30 CHEARN CC(C)n1cc(C(=O)/C=C/c2ccc(C(F)(F)F)[nH]2)cn1 ZINC000585083008 1131269260 /nfs/dbraw/zinc/26/92/60/1131269260.db2.gz YMAWBEIPKMMVQW-HWKANZROSA-N 0 0 297.280 3.707 50 30 CHEARN Cc1cc(NN=Cc2ccccc2)nc2ccccc12 ZINC000005330636 1124576365 /nfs/dbraw/zinc/57/63/65/1124576365.db2.gz GXSYOYXKDGOZPX-UHFFFAOYSA-N 0 0 261.328 3.989 50 30 CHEARN C=C(C)CN=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000585098603 1131293006 /nfs/dbraw/zinc/29/30/06/1131293006.db2.gz YSSDJGXXPKGYHF-KRWDZBQOSA-N 0 0 263.284 3.609 50 30 CHEARN Cc1nn(-c2ccccc2)cc1/C=C\C(=O)c1ccco1 ZINC000097054162 1129584068 /nfs/dbraw/zinc/58/40/68/1129584068.db2.gz MZVOLMJVAMYQLE-KTKRTIGZSA-N 0 0 278.311 3.670 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(C)s2)cc1O ZINC000097996083 1129636760 /nfs/dbraw/zinc/63/67/60/1129636760.db2.gz GYMMGCXDJQLKAB-XQRVVYSFSA-N 0 0 274.341 3.667 50 30 CHEARN Oc1ccc(C=NNc2ccccc2C(F)(F)F)cc1O ZINC000254696710 1129704771 /nfs/dbraw/zinc/70/47/71/1129704771.db2.gz ZTISURRTGUQEEF-UHFFFAOYSA-N 0 0 296.248 3.563 50 30 CHEARN Cc1ccc(NC=C(C=Nc2ccccc2)[N+](=O)[O-])cc1 ZINC000254790631 1129710729 /nfs/dbraw/zinc/71/07/29/1129710729.db2.gz CIPWHGXJBVCEBU-YBGCTQOOSA-N 0 0 281.315 3.928 50 30 CHEARN O=C(NC1CCCCC1)O/N=C\c1ccccc1Cl ZINC000016667932 1129842706 /nfs/dbraw/zinc/84/27/06/1129842706.db2.gz DYWBBXAMAIBQJU-YBEGLDIGSA-N 0 0 280.755 3.733 50 30 CHEARN COc1cccc2c1CC[C@@H]2Nc1cccc(C#N)c1 ZINC000584908576 1131199075 /nfs/dbraw/zinc/19/90/75/1131199075.db2.gz GRYOFHUTANHFTA-INIZCTEOSA-N 0 0 264.328 3.666 50 30 CHEARN N#Cc1csc(CNc2ccccc2OCC(F)F)c1 ZINC000096474711 230379617 /nfs/dbraw/zinc/37/96/17/230379617.db2.gz RDZVGASLDWOFFR-UHFFFAOYSA-N 0 0 294.326 3.876 50 30 CHEARN COc1ccc(/C=C\C(=O)c2cccc(NC(C)=O)c2)cc1 ZINC000097993062 230388893 /nfs/dbraw/zinc/38/88/93/230388893.db2.gz SUPADZNCNDBIEM-FLIBITNWSA-N 0 0 295.338 3.550 50 30 CHEARN N#Cc1cn(-c2ccccc2F)nc1-c1ccccc1 ZINC000095627619 185016866 /nfs/dbraw/zinc/01/68/66/185016866.db2.gz GUOWJTMRXPRPAM-UHFFFAOYSA-N 0 0 263.275 3.550 50 30 CHEARN N#Cc1ccnc(Oc2ccc(OC(F)(F)F)cc2)c1 ZINC000095704723 185017978 /nfs/dbraw/zinc/01/79/78/185017978.db2.gz FRVAFSIEFJNJOI-UHFFFAOYSA-N 0 0 280.205 3.644 50 30 CHEARN Cc1ccc(C(=O)Nc2ccccc2SCCC#N)o1 ZINC000095953534 185040959 /nfs/dbraw/zinc/04/09/59/185040959.db2.gz XJMSTICFCHKNRO-UHFFFAOYSA-N 0 0 286.356 3.846 50 30 CHEARN Cc1[nH]c2ccc(C(=O)O[C@@H](C#N)C(C)(C)C)cc2c1C ZINC000096013292 185065671 /nfs/dbraw/zinc/06/56/71/185065671.db2.gz QXWXHFRYGVJJDP-HNNXBMFYSA-N 0 0 284.359 3.880 50 30 CHEARN O=C(/C=C\c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000096766638 185112101 /nfs/dbraw/zinc/11/21/01/185112101.db2.gz RLUCGWHVFSOBGQ-SREVYHEPSA-N 0 0 277.245 3.997 50 30 CHEARN C=C(C)CSc1n[nH]c(C=Cc2cccs2)n1 ZINC000096940063 185133989 /nfs/dbraw/zinc/13/39/89/185133989.db2.gz OMGJIFWDRMZOOB-WAYWQWQTSA-N 0 0 263.391 3.705 50 30 CHEARN COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C)cc1)CO2 ZINC000096993442 185148954 /nfs/dbraw/zinc/14/89/54/185148954.db2.gz HMDKWKAXEZLZTA-ZROIWOOFSA-N 0 0 280.323 3.662 50 30 CHEARN CC(C)(C)/N=C/c1cc(Br)ccc1F ZINC000085476966 179079695 /nfs/dbraw/zinc/07/96/95/179079695.db2.gz AABRAFAWSUADPO-VGOFMYFVSA-N 0 0 258.134 3.806 50 30 CHEARN CCOc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000002625294 169816239 /nfs/dbraw/zinc/81/62/39/169816239.db2.gz PIARAOJWSMWUAL-UHFFFAOYSA-N 0 0 284.271 3.657 50 30 CHEARN Cc1ccc(SCC(=O)Nc2ccccc2C#N)cc1 ZINC000000039190 169513792 /nfs/dbraw/zinc/51/37/92/169513792.db2.gz SMNJVHXYQJGNKS-UHFFFAOYSA-N 0 0 282.368 3.598 50 30 CHEARN NC(=O)c1ccccc1/N=C/c1cccc(Cl)c1Cl ZINC000000045817 169516053 /nfs/dbraw/zinc/51/60/53/169516053.db2.gz KIMFDSCHBSCYND-QGMBQPNBSA-N 0 0 293.153 3.843 50 30 CHEARN N#Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000065560 169524062 /nfs/dbraw/zinc/52/40/62/169524062.db2.gz GEOGCSKVRNIYIF-RQZCQDPDSA-N 0 0 285.690 3.870 50 30 CHEARN CC(=O)n1ccc(-c2ccc(C#Cc3ccccc3)cc2)n1 ZINC000000170723 169562680 /nfs/dbraw/zinc/56/26/80/169562680.db2.gz UUYZPGZKXRFIBI-UHFFFAOYSA-N 0 0 286.334 3.610 50 30 CHEARN Cc1ccc(CNC(=O)c2cc3ccccc3c(=O)o2)cc1 ZINC000000204758 169573959 /nfs/dbraw/zinc/57/39/59/169573959.db2.gz MYOAVSWMFPHUKJ-UHFFFAOYSA-N 0 0 293.322 3.606 50 30 CHEARN CC(=O)Nc1ccc(/C=C2\Sc3ccccc3C2=O)cc1 ZINC000000284102 169596771 /nfs/dbraw/zinc/59/67/71/169596771.db2.gz LFROCFDQMGUQAE-YBEGLDIGSA-N 0 0 295.363 3.975 50 30 CHEARN CC(=O)Oc1ccc(/C=N/c2ccc(C)cc2)cc1 ZINC000000354472 169615330 /nfs/dbraw/zinc/61/53/30/169615330.db2.gz NMTWWQMCXLYEOR-GZTJUZNOSA-N 0 0 253.301 3.671 50 30 CHEARN N#Cc1ccccc1COc1ccc2ccccc2c1CO ZINC000000470566 169649314 /nfs/dbraw/zinc/64/93/14/169649314.db2.gz FXQRBXXXZJWWAL-UHFFFAOYSA-N 0 0 289.334 3.783 50 30 CHEARN COc1ccc(C(=O)C=CNc2ccc(C)cc2O)cc1 ZINC000004663296 260015869 /nfs/dbraw/zinc/01/58/69/260015869.db2.gz WZQUYRWGPWJOCX-MDZDMXLPSA-N 0 0 283.327 3.518 50 30 CHEARN CC1(C)CC(=O)C=C(NC(=O)Nc2ccc(Cl)cc2)C1 ZINC000001045862 169687205 /nfs/dbraw/zinc/68/72/05/169687205.db2.gz WIJLHMVYNVUQQY-UHFFFAOYSA-N 0 0 292.766 3.735 50 30 CHEARN CC(=O)Nc1scc(-c2cc(C)ccc2C)c1C#N ZINC000001056248 169688401 /nfs/dbraw/zinc/68/84/01/169688401.db2.gz XTQWPVKLOUOVPQ-UHFFFAOYSA-N 0 0 270.357 3.862 50 30 CHEARN Cc1nc2c(Br)cccc2c(Cl)c1C#N ZINC000094968046 184907940 /nfs/dbraw/zinc/90/79/40/184907940.db2.gz GGASPUZKAMTYGR-UHFFFAOYSA-N 0 0 281.540 3.831 50 30 CHEARN C#CCC1(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CCC1 ZINC000095444746 184987156 /nfs/dbraw/zinc/98/71/56/184987156.db2.gz WJPDGZXIEOHOAW-UHFFFAOYSA-N 0 0 297.185 3.708 50 30 CHEARN Cc1ccc(C(=O)C(CCC#N)(CCC#N)CCC#N)o1 ZINC000001596564 169721958 /nfs/dbraw/zinc/72/19/58/169721958.db2.gz BEICQCZRDSFOPP-UHFFFAOYSA-N 0 0 283.331 3.668 50 30 CHEARN C=C(C)CSc1nc2cc(Br)c(C)nc2[nH]1 ZINC000002443711 169792306 /nfs/dbraw/zinc/79/23/06/169792306.db2.gz NLAHYMGQRZQKQK-UHFFFAOYSA-N 0 0 298.209 3.697 50 30 CHEARN CCCOc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 ZINC000002651241 169818530 /nfs/dbraw/zinc/81/85/30/169818530.db2.gz QZVULLQPLNTCND-UHFFFAOYSA-N 0 0 280.327 3.599 50 30 CHEARN CCCCCCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000002734354 169823031 /nfs/dbraw/zinc/82/30/31/169823031.db2.gz TXOMTHRKLJOQFN-HZPDHXFCSA-N 0 0 259.393 3.877 50 30 CHEARN Cc1sc(NC(=O)Nc2ccccc2)c(C#N)c1C ZINC000002741812 169824421 /nfs/dbraw/zinc/82/44/21/169824421.db2.gz CEXWSQRSQGPZKO-UHFFFAOYSA-N 0 0 271.345 3.881 50 30 CHEARN N#CCCn1c2ccccc2c2nc3ccccc3nc21 ZINC000003027927 169850216 /nfs/dbraw/zinc/85/02/16/169850216.db2.gz QRQSGCBNXDCOQE-UHFFFAOYSA-N 0 0 272.311 3.651 50 30 CHEARN N#Cc1cccc(C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000003357794 169882217 /nfs/dbraw/zinc/88/22/17/169882217.db2.gz OSQHWENNLZWDHZ-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN COc1cccc(NC(=O)ON=C2CCCCC2)c1 ZINC000004583125 169986931 /nfs/dbraw/zinc/98/69/31/169986931.db2.gz PMRHMSILBUODPJ-UHFFFAOYSA-N 0 0 262.309 3.564 50 30 CHEARN C=CCSc1nnc(-c2ccc(Br)cc2)o1 ZINC000004698871 170001096 /nfs/dbraw/zinc/00/10/96/170001096.db2.gz TVYZCPFADFXKOZ-UHFFFAOYSA-N 0 0 297.177 3.777 50 30 CHEARN O=C1C=C(NCCc2ccccc2)C[C@@H](c2ccccc2)C1 ZINC000004726004 170006500 /nfs/dbraw/zinc/00/65/00/170006500.db2.gz OHDWYTOTTMSSKP-GOSISDBHSA-N 0 0 291.394 3.849 50 30 CHEARN O=[N+]([O-])c1ccc(/N=C/C=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC000004796073 170018514 /nfs/dbraw/zinc/01/85/14/170018514.db2.gz RDGFLDYKXJRFIU-LVVPDBGKSA-N 0 0 297.270 3.919 50 30 CHEARN CC(=O)Nc1cccc(C(=O)/C=C/c2cccs2)c1 ZINC000004823188 170024074 /nfs/dbraw/zinc/02/40/74/170024074.db2.gz VSKICAQVTKOVTO-BQYQJAHWSA-N 0 0 271.341 3.603 50 30 CHEARN C=CCOc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000004840178 170027439 /nfs/dbraw/zinc/02/74/39/170027439.db2.gz TXSWBGVAPHDQBQ-UHFFFAOYSA-N 0 0 271.291 3.643 50 30 CHEARN CC1(C)Cc2c(C#N)c(Cl)nc(-c3ccco3)c2CO1 ZINC000004862887 170031951 /nfs/dbraw/zinc/03/19/51/170031951.db2.gz YBRFUXBYVXBYHH-UHFFFAOYSA-N 0 0 288.734 3.718 50 30 CHEARN Cc1nc(-c2ccccc2)nc(N=NCc2ccco2)c1C ZINC000004947159 170044163 /nfs/dbraw/zinc/04/41/63/170044163.db2.gz OEUNAHCSDHOGQZ-WOJGMQOQSA-N 0 0 292.342 3.799 50 30 CHEARN CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000004990405 170050549 /nfs/dbraw/zinc/05/05/49/170050549.db2.gz FKBMHUWSTMUHOA-MHWRWJLKSA-N 0 0 273.267 3.570 50 30 CHEARN CC(=CN=Nc1nc(C)cs1)Cc1ccccc1 ZINC000005009714 170054867 /nfs/dbraw/zinc/05/48/67/170054867.db2.gz LLCWPOKYKRIRJA-QBDLBBPBSA-N 0 0 257.362 3.953 50 30 CHEARN CSc1ccc(/C=C/C(=O)c2ccc(N)cc2)cc1 ZINC000005019879 170056745 /nfs/dbraw/zinc/05/67/45/170056745.db2.gz ZCKNIVKQPZMYLF-NYYWCZLTSA-N 0 0 269.369 3.887 50 30 CHEARN CCOc1ccc(/N=C/c2cc3ccccc3[nH]c2=O)cc1 ZINC000005025359 170057415 /nfs/dbraw/zinc/05/74/15/170057415.db2.gz KVLIQVRJNHLPMZ-XDHOZWIPSA-N 0 0 292.338 3.677 50 30 CHEARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1 ZINC000005128283 170068673 /nfs/dbraw/zinc/06/86/73/170068673.db2.gz LSRYUCJIXRVZSJ-GQCTYLIASA-N 0 0 288.690 3.539 50 30 CHEARN COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O ZINC000005163250 170072762 /nfs/dbraw/zinc/07/27/62/170072762.db2.gz NBZNDVAGPBKVQJ-NVNXTCNLSA-N 0 0 286.714 3.965 50 30 biogenic CHEARN N#Cc1ccccc1OCc1coc(-c2cccs2)n1 ZINC000005216060 170077019 /nfs/dbraw/zinc/07/70/19/170077019.db2.gz FXMRTZOGDRTDMN-UHFFFAOYSA-N 0 0 282.324 3.854 50 30 CHEARN O=Cc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)o1 ZINC000005257168 170080475 /nfs/dbraw/zinc/08/04/75/170080475.db2.gz CBYBEYFLXVDUHZ-XVNBXDOJSA-N 0 0 260.676 3.642 50 30 CHEARN CCCC(=O)Nc1sc2c(c1C#N)C[C@](C)(CC)OC2 ZINC000005303885 170084561 /nfs/dbraw/zinc/08/45/61/170084561.db2.gz PVKJTHMUFZZBMC-HNNXBMFYSA-N 0 0 292.404 3.600 50 30 CHEARN CC1(C)[C@@H](CC#N)C[C@@H]1C(=O)/C=C/c1ccccc1 ZINC000005477875 170103074 /nfs/dbraw/zinc/10/30/74/170103074.db2.gz NJBLUXNBMCTNQT-MATWNZDUSA-N 0 0 253.345 3.845 50 30 CHEARN N#Cc1ccc(Oc2ncnc3sc4c(c32)CCC4)cc1 ZINC000005517494 170106968 /nfs/dbraw/zinc/10/69/68/170106968.db2.gz YEJLRFWXOILYNF-UHFFFAOYSA-N 0 0 293.351 3.844 50 30 CHEARN N#Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000005681508 170128101 /nfs/dbraw/zinc/12/81/01/170128101.db2.gz VYXCSJLLZYGNAK-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN C=C(C)Cn1c(=S)[nH]nc1-c1ccc(Cl)cc1 ZINC000005685826 170128737 /nfs/dbraw/zinc/12/87/37/170128737.db2.gz ZISYSPXIXWDRGX-UHFFFAOYSA-N 0 0 265.769 3.837 50 30 CHEARN N#Cc1ccc(NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000005687525 170129412 /nfs/dbraw/zinc/12/94/12/170129412.db2.gz PKKNOMQPTZPTEM-UHFFFAOYSA-N 0 0 287.706 3.732 50 30 CHEARN C=CCn1c(=S)[nH]nc1-c1cc2ccccc2o1 ZINC000005817019 170142808 /nfs/dbraw/zinc/14/28/08/170142808.db2.gz MDGXAVBJFYFPGC-UHFFFAOYSA-N 0 0 257.318 3.540 50 30 CHEARN C[C@H](C#N)OC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000005890519 170151008 /nfs/dbraw/zinc/15/10/08/170151008.db2.gz GLYNSNHHZRIKLE-LLVKDONJSA-N 0 0 292.294 3.564 50 30 CHEARN C=CCn1c(=S)[nH]nc1-c1cc2cccc(OC)c2o1 ZINC000005911511 170154555 /nfs/dbraw/zinc/15/45/55/170154555.db2.gz AZDGWWHAXYSGLB-UHFFFAOYSA-N 0 0 287.344 3.548 50 30 CHEARN CC[C@@H](c1ccc(O)cc1)[C@@H](C#N)c1ccc(O)cc1 ZINC000005923210 170155778 /nfs/dbraw/zinc/15/57/78/170155778.db2.gz MUSZSITXXJNLPD-IRXDYDNUSA-N 0 0 267.328 3.899 50 30 CHEARN C[C@@H](NC(=O)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000006335667 170193357 /nfs/dbraw/zinc/19/33/57/170193357.db2.gz ORNARBISNYAZDH-LLVKDONJSA-N 0 0 284.746 3.703 50 30 CHEARN COc1ccc(NC=CC(=O)c2cccs2)cc1OC ZINC000006533643 170211266 /nfs/dbraw/zinc/21/12/66/170211266.db2.gz MINLXXYWBLJCBT-FPLPWBNLSA-N 0 0 289.356 3.574 50 30 CHEARN COC(=O)c1ccc(CSCc2ccc(C#N)cc2)cc1 ZINC000006646380 170221940 /nfs/dbraw/zinc/22/19/40/170221940.db2.gz JEMBJLCNHXNGRG-UHFFFAOYSA-N 0 0 297.379 3.778 50 30 CHEARN C#CCSc1nc2ccccc2c(=O)n1C1CCCCC1 ZINC000006669555 170224457 /nfs/dbraw/zinc/22/44/57/170224457.db2.gz IGPSBBGADCHGEL-UHFFFAOYSA-N 0 0 298.411 3.627 50 30 CHEARN C=CCOc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000006697118 170226987 /nfs/dbraw/zinc/22/69/87/170226987.db2.gz BGEFOYOABMMUDV-UHFFFAOYSA-N 0 0 283.327 3.512 50 30 CHEARN CSc1ccccc1C(=O)Nc1ccccc1C#N ZINC000006702161 170229956 /nfs/dbraw/zinc/22/99/56/170229956.db2.gz ORBPPRREHWVJBG-UHFFFAOYSA-N 0 0 268.341 3.532 50 30 CHEARN C#CC(CC)(CC)NC(=O)Nc1ccccc1CC ZINC000006725395 170232500 /nfs/dbraw/zinc/23/25/00/170232500.db2.gz WESQPTYSIUNJIB-UHFFFAOYSA-N 0 0 258.365 3.563 50 30 CHEARN C#CC(CC)(CC)NC(=O)Nc1cc(Cl)ccc1C ZINC000006727150 170233605 /nfs/dbraw/zinc/23/36/05/170233605.db2.gz HJXOTEHFJSERIE-UHFFFAOYSA-N 0 0 278.783 3.962 50 30 CHEARN C=CCSc1nnc(Nc2ccccc2C)s1 ZINC000006831800 170247930 /nfs/dbraw/zinc/24/79/30/170247930.db2.gz JXGLCSPFGCYHAX-UHFFFAOYSA-N 0 0 263.391 3.868 50 30 CHEARN COc1cc(C#N)ccc1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007858337 170305742 /nfs/dbraw/zinc/30/57/42/170305742.db2.gz MUSQSTPKVHJHLX-NSHDSACASA-N 0 0 298.298 3.615 50 30 CHEARN N#Cc1ccccc1OC(=O)c1cc2ccccc2s1 ZINC000007980506 170311403 /nfs/dbraw/zinc/31/14/03/170311403.db2.gz YQNRVTYNGPUTOO-UHFFFAOYSA-N 0 0 279.320 3.992 50 30 CHEARN N#CCc1ccc(Oc2ncnc3sccc32)cc1 ZINC000007980498 170311495 /nfs/dbraw/zinc/31/14/95/170311495.db2.gz KZTOYYZXUSBOOI-UHFFFAOYSA-N 0 0 267.313 3.550 50 30 CHEARN C=CCNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000008074704 170317703 /nfs/dbraw/zinc/31/77/03/170317703.db2.gz NZDFTFNNERQMMH-LBPRGKRZSA-N 0 0 277.433 3.815 50 30 CHEARN Cc1ccc(CC(=O)Nc2ccc(CC#N)cc2)cc1C ZINC000008126234 170320253 /nfs/dbraw/zinc/32/02/53/170320253.db2.gz BTYDAUZBKGGTCG-UHFFFAOYSA-N 0 0 278.355 3.551 50 30 CHEARN CCCCCCCn1c2ccccc2nc1CCCO ZINC000008440021 170336627 /nfs/dbraw/zinc/33/66/27/170336627.db2.gz CJHYGXCXVYVNTH-UHFFFAOYSA-N 0 0 274.408 3.932 50 30 CHEARN C[C@@H]1CC2=C(C[C@@H]1CN=NC(N)=S)C(C)(C)CCC2 ZINC000008828807 170356650 /nfs/dbraw/zinc/35/66/50/170356650.db2.gz PPGJRHGXTKDCPC-YHZDASRISA-N 0 0 279.453 3.770 50 30 biogenic CHEARN C[C@@H](C#N)Sc1nnc(Nc2ccccc2Cl)s1 ZINC000009154201 170364804 /nfs/dbraw/zinc/36/48/04/170364804.db2.gz IWLSZOJNGIBWOF-ZETCQYMHSA-N 0 0 296.808 3.939 50 30 CHEARN C=C(C)COc1ccccc1NC(=O)c1ccccc1 ZINC000009822454 170386307 /nfs/dbraw/zinc/38/63/07/170386307.db2.gz JWQUIIFKDHFYAW-UHFFFAOYSA-N 0 0 267.328 3.894 50 30 CHEARN C=C(C)COc1ccccc1NC(=O)c1ccc(OC)cc1 ZINC000009822461 170386408 /nfs/dbraw/zinc/38/64/08/170386408.db2.gz XTQOCYROMMUFHL-UHFFFAOYSA-N 0 0 297.354 3.902 50 30 CHEARN N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC000009894996 170389064 /nfs/dbraw/zinc/38/90/64/170389064.db2.gz OECRRFQZOUXUPL-KRWDZBQOSA-N 0 0 276.339 3.536 50 30 CHEARN N#CCCCSc1ncnc2sc3c(c21)CCC3 ZINC000012592640 170499483 /nfs/dbraw/zinc/49/94/83/170499483.db2.gz PPLUTVYLMCQZGR-UHFFFAOYSA-N 0 0 275.402 3.576 50 30 CHEARN C[C@@H](Sc1ccccc1)C(=O)Nc1sccc1C#N ZINC000012599210 170499727 /nfs/dbraw/zinc/49/97/27/170499727.db2.gz IEMNMBXHBPGSNT-SNVBAGLBSA-N 0 0 288.397 3.739 50 30 CHEARN COc1cc(C#N)ccc1OCc1ccc(F)cc1Cl ZINC000012928595 170521512 /nfs/dbraw/zinc/52/15/12/170521512.db2.gz BHPHYXXCTPPOMH-UHFFFAOYSA-N 0 0 291.709 3.938 50 30 CHEARN CSc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1 ZINC000013880612 170606459 /nfs/dbraw/zinc/60/64/59/170606459.db2.gz AOZSYCFAFQYRPY-PTNGSMBKSA-N 0 0 295.363 3.753 50 30 CHEARN CCC(=O)c1cc(F)ccc1OCc1ccccc1C#N ZINC000015551954 170670359 /nfs/dbraw/zinc/67/03/59/170670359.db2.gz HGLVZOCUWHERAJ-UHFFFAOYSA-N 0 0 283.302 3.869 50 30 CHEARN Cc1ccc(Br)c2c(Cl)c(C#N)cnc12 ZINC000016697140 170709796 /nfs/dbraw/zinc/70/97/96/170709796.db2.gz WPOCMJXWTZCLEO-UHFFFAOYSA-N 0 0 281.540 3.831 50 30 CHEARN N#Cc1cccc(NC(=N)c2cc(Cl)cc(Cl)c2)c1 ZINC000020404789 171182560 /nfs/dbraw/zinc/18/25/60/171182560.db2.gz JTIUZRSPSPPYDG-UHFFFAOYSA-N 0 0 290.153 3.902 50 30 CHEARN C=CCN(CC=C)Cc1nc(-c2cccc(F)c2)oc1C ZINC000020454489 171208417 /nfs/dbraw/zinc/20/84/17/171208417.db2.gz DSWLCLVWVVQCOT-UHFFFAOYSA-N 0 0 286.350 3.963 50 30 CHEARN COc1ccc(C2=NO[C@](C)([C@@H]3CC=C(C)C(=O)C3)C2)cc1 ZINC000020601829 171266740 /nfs/dbraw/zinc/26/67/40/171266740.db2.gz NVVAGVNIVYUIOB-KDOFPFPSSA-N 0 0 299.370 3.504 50 30 CHEARN COc1ccc(C2=NO[C@@](C)([C@@H]3CC=C(C)C(=O)C3)C2)cc1 ZINC000020601828 171266789 /nfs/dbraw/zinc/26/67/89/171266789.db2.gz NVVAGVNIVYUIOB-RDTXWAMCSA-N 0 0 299.370 3.504 50 30 CHEARN Cc1ccc(CSc2nc(C)nc(C)c2C#N)cc1 ZINC000022524553 171389594 /nfs/dbraw/zinc/38/95/94/171389594.db2.gz NTIWQIBTGUECKS-UHFFFAOYSA-N 0 0 269.373 3.566 50 30 CHEARN CC(C)(C#N)c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 ZINC000025438768 171457871 /nfs/dbraw/zinc/45/78/71/171457871.db2.gz JGUFZHPSGUELLR-CYBMUJFWSA-N 0 0 268.360 3.783 50 30 CHEARN Cc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)s1 ZINC000028225683 171551382 /nfs/dbraw/zinc/55/13/82/171551382.db2.gz VZOZTBWGDBNVSR-UHFFFAOYSA-N 0 0 276.386 3.859 50 30 CHEARN C[C@@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000031102478 171630891 /nfs/dbraw/zinc/63/08/91/171630891.db2.gz IXLBCLRHTMTFAK-ZIAGYGMSSA-N 0 0 293.370 3.680 50 30 CHEARN C#CCn1c(/C=C/c2ccc(OC)cc2)nc2ccccc21 ZINC000035167672 172026766 /nfs/dbraw/zinc/02/67/66/172026766.db2.gz HASAUCHDFAKARF-JLHYYAGUSA-N 0 0 288.350 3.849 50 30 CHEARN O=C(/C=C\c1cc(F)ccc1F)c1ccc(O)cc1 ZINC000038143124 174134264 /nfs/dbraw/zinc/13/42/64/174134264.db2.gz XUKBABOKBOKKPA-BAQGIRSFSA-N 0 0 260.239 3.567 50 30 CHEARN O=Cc1c(F)cc(C(F)(F)F)cc1C(F)(F)F ZINC000038529626 174144211 /nfs/dbraw/zinc/14/42/11/174144211.db2.gz CXWRFYUFIINRJQ-UHFFFAOYSA-N 0 0 260.108 3.676 50 30 CHEARN O=C(Nc1nc[nH]n1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000039976604 174181263 /nfs/dbraw/zinc/18/12/63/174181263.db2.gz VOCDRWLTHIHMDB-UHFFFAOYSA-N 0 0 290.754 3.558 50 30 CHEARN CN(C(=O)C1(C#N)CCCCC1)C1CCCCCC1 ZINC000044385756 175170113 /nfs/dbraw/zinc/17/01/13/175170113.db2.gz JMWDYAVHTDJNQA-UHFFFAOYSA-N 0 0 262.397 3.642 50 30 CHEARN FC(F)(F)[C@](F)(Cl)[C@@](F)(Cl)C(F)(F)F ZINC000044430497 175175600 /nfs/dbraw/zinc/17/56/00/175175600.db2.gz LXANZHXWGZWFAC-LWMBPPNESA-N 0 0 270.934 3.920 50 30 CHEARN Cc1ccc(S(=O)(=O)OCCC=C2CCCC2)cc1 ZINC000044491574 175180300 /nfs/dbraw/zinc/18/03/00/175180300.db2.gz KUTDWADVRXFDQS-UHFFFAOYSA-N 0 0 280.389 3.591 50 30 CHEARN Cc1nc(C(C)C)sc1C(=O)N(C)c1cccc(C#N)c1 ZINC000063326710 175686485 /nfs/dbraw/zinc/68/64/85/175686485.db2.gz DNBZHGWNZAHBCS-UHFFFAOYSA-N 0 0 299.399 3.723 50 30 CHEARN C=CCN(CC=C)C(=O)c1cc2occc2c(OCC)c1 ZINC000072240152 176347877 /nfs/dbraw/zinc/34/78/77/176347877.db2.gz NPKNFNXYJXNIJB-UHFFFAOYSA-N 0 0 285.343 3.646 50 30 CHEARN N#Cc1nccnc1Nc1cccc(Nc2ccccc2)c1 ZINC000078732807 177378369 /nfs/dbraw/zinc/37/83/69/177378369.db2.gz MZXLXSGXPAGGTQ-UHFFFAOYSA-N 0 0 287.326 3.835 50 30 CHEARN N#CCc1ccc(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000329343618 227455836 /nfs/dbraw/zinc/45/58/36/227455836.db2.gz QEANBQPACSOFDP-ROUUACIJSA-N 0 0 296.414 3.699 50 30 CHEARN O=C(/C=C/c1ccccc1O)c1ccc(OC(F)F)cc1 ZINC000004856355 260016502 /nfs/dbraw/zinc/01/65/02/260016502.db2.gz MBMAKHQCGHNEAY-JXMROGBWSA-N 0 0 290.265 3.890 50 30 CHEARN N#CCSc1nc2ccccc2c(Nc2ccccc2)n1 ZINC000012644253 260063471 /nfs/dbraw/zinc/06/34/71/260063471.db2.gz APFFZLIOPVEHJK-UHFFFAOYSA-N 0 0 292.367 3.989 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2cnn(Cc3ccccc3)c2)o1 ZINC000014245125 260079283 /nfs/dbraw/zinc/07/92/83/260079283.db2.gz MBGDVQPITOPKJF-CMDGGOBGSA-N 0 0 292.338 3.729 50 30 CHEARN CCN(Cc1ccn(C(C)C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000071909860 260274628 /nfs/dbraw/zinc/27/46/28/260274628.db2.gz YQGDCRGJFXCFSX-OAHLLOKOSA-N 0 0 296.418 3.919 50 30 CHEARN CC[C@H](CC(F)(F)F)NC(=O)c1c(C)nsc1NC ZINC000330914262 264076125 /nfs/dbraw/zinc/07/61/25/264076125.db2.gz SMWZHNXVUVQNKF-SSDOTTSWSA-N 0 0 295.330 3.529 50 30 CHEARN Cc1cc(Cl)ccc1NC(=O)c1ccc(C#N)cc1 ZINC000005577948 326816229 /nfs/dbraw/zinc/81/62/29/326816229.db2.gz CVMBGONBYCDVMR-UHFFFAOYSA-N 0 0 270.719 3.772 50 30 CHEARN O=C(/C=C1\C(=O)Nc2ccccc21)c1ccc(Cl)s1 ZINC000005738815 326816866 /nfs/dbraw/zinc/81/68/66/326816866.db2.gz GLEYTVBYRDUBKY-CLFYSBASSA-N 0 0 289.743 3.620 50 30 CHEARN Cn1ncc2c1CC/C(=C/c1ccc3ccccc3c1)C2=O ZINC000040116049 326926872 /nfs/dbraw/zinc/92/68/72/326926872.db2.gz UYPRVTKTMMFBAW-WJDWOHSUSA-N 0 0 288.350 3.786 50 30 CHEARN CC(C)[C@@H](Sc1ccccc1)C1=C(O)CCC1=O ZINC000101082245 328755490 /nfs/dbraw/zinc/75/54/90/328755490.db2.gz FUVVVDMGLGEIHU-OAHLLOKOSA-N 0 0 262.374 3.978 50 30 CHEARN C=C(C)CN(Cc1ccccc1)C(=O)Cc1ccncc1C ZINC000279965231 518602609 /nfs/dbraw/zinc/60/26/09/518602609.db2.gz KPKIEYSOSHAXIT-UHFFFAOYSA-N 0 0 294.398 3.537 50 30 CHEARN C=CCN(Cc1ccccc1C)Cc1cccnc1NC ZINC000055198906 518786642 /nfs/dbraw/zinc/78/66/42/518786642.db2.gz KICYOXADLACIMI-UHFFFAOYSA-N 0 0 281.403 3.620 50 30 CHEARN C=CCc1ccccc1OCC(=O)NCCC1=CCCCC1 ZINC000000468577 519143007 /nfs/dbraw/zinc/14/30/07/519143007.db2.gz NAHNOGDTGCGUKP-UHFFFAOYSA-N 0 0 299.414 3.801 50 30 CHEARN CCCCCCCCN(C)C(=O)c1ccc(N)cc1 ZINC000003084164 520032895 /nfs/dbraw/zinc/03/28/95/520032895.db2.gz UTTJQDQAKGQCHF-UHFFFAOYSA-N 0 0 262.397 3.701 50 30 CHEARN Cc1nc(C(C)C)sc1NC(=O)OC(C)(C)C ZINC000328579491 534878187 /nfs/dbraw/zinc/87/81/87/534878187.db2.gz LEUNTNPFIRNORZ-UHFFFAOYSA-N 0 0 256.371 3.936 50 30 CHEARN C[C@@H](SCc1ccccc1)C(=O)[C@H](C#N)c1ccccn1 ZINC000049457627 525979000 /nfs/dbraw/zinc/97/90/00/525979000.db2.gz ZNLFUSAAFYIHOS-UKRRQHHQSA-N 0 0 296.395 3.580 50 30 CHEARN C=C(C)COc1ccccc1NC(=O)COc1ccccc1 ZINC000009822422 526673055 /nfs/dbraw/zinc/67/30/55/526673055.db2.gz AYAKCGXHQJGLFK-UHFFFAOYSA-N 0 0 297.354 3.659 50 30 CHEARN O=C(/C=C/c1ccccc1OC(F)F)c1cccc(O)c1 ZINC000006790138 527637027 /nfs/dbraw/zinc/63/70/27/527637027.db2.gz WNJOACZRNORYQF-CMDGGOBGSA-N 0 0 290.265 3.890 50 30 CHEARN CC1(C)CC(=O)C(=CNC2CCCCCCC2)C(=O)C1 ZINC000100444858 528878862 /nfs/dbraw/zinc/87/88/62/528878862.db2.gz ICWYVYKMRQRNGP-UHFFFAOYSA-N 0 0 277.408 3.531 50 30 CHEARN CCSc1ncc(/C=N/c2ccc(Cl)cc2)n1C ZINC000100250887 529259834 /nfs/dbraw/zinc/25/98/34/529259834.db2.gz XXPTWXIFSNMRMU-OVCLIPMQSA-N 0 0 279.796 3.936 50 30 CHEARN CCSc1ncc(/C=N/c2ccc(C)c(C)c2)n1C ZINC000100250880 529259844 /nfs/dbraw/zinc/25/98/44/529259844.db2.gz VVPOFDWNDRBDIF-CXUHLZMHSA-N 0 0 273.405 3.900 50 30 CHEARN CCc1ccc2ncc(C#N)c(N3CCC(C)CC3)c2c1 ZINC000064438751 535832064 /nfs/dbraw/zinc/83/20/64/535832064.db2.gz MEKGHVUQEOOMDU-UHFFFAOYSA-N 0 0 279.387 3.905 50 30 CHEARN C=CCSc1nnc(C)n1-c1ccc(Cl)cc1 ZINC000002128418 567887797 /nfs/dbraw/zinc/88/77/97/567887797.db2.gz KLCJWQBQVSFASR-UHFFFAOYSA-N 0 0 265.769 3.507 50 30 CHEARN CCCC(C#N)(CCC)NC(=O)[C@H](C)c1ccsc1 ZINC000089949488 570368993 /nfs/dbraw/zinc/36/89/93/570368993.db2.gz ARKPRDUZMWCSJS-GFCCVEGCSA-N 0 0 278.421 3.830 50 30 CHEARN C=C(C)Cc1c(C)nc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000013468345 570340373 /nfs/dbraw/zinc/34/03/73/570340373.db2.gz YJSWGIVHKCNBKC-UHFFFAOYSA-N 0 0 274.751 3.517 50 30 CHEARN C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@H]4[C@H]3CC[C@@]21C ZINC000253498009 566832772 /nfs/dbraw/zinc/83/27/72/566832772.db2.gz ZXSWTMLNIIZPET-VWQYPGANSA-N 0 0 288.431 3.879 50 30 CHEARN Cc1ccc(Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000004046779 566855976 /nfs/dbraw/zinc/85/59/76/566855976.db2.gz SWAXRQQZZKCQPL-UHFFFAOYSA-N 0 0 253.261 3.519 50 30 CHEARN C=CCOc1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000040895783 566856260 /nfs/dbraw/zinc/85/62/60/566856260.db2.gz CDUFYCMWGUASRF-UHFFFAOYSA-N 0 0 271.291 3.643 50 30 CHEARN Cc1c(C#N)c(=O)nc2oc3ccc4ccccc4c3cc1-2 ZINC000001276640 566860875 /nfs/dbraw/zinc/86/08/75/566860875.db2.gz HTKPMSDDPUQBLZ-UHFFFAOYSA-N 0 0 286.290 3.626 50 30 CHEARN N#Cc1ncc(C(F)(F)F)cc1Oc1cccc(F)c1 ZINC000001391397 566869917 /nfs/dbraw/zinc/86/99/17/566869917.db2.gz ZBWNNKUTTHSKBW-UHFFFAOYSA-N 0 0 282.196 3.903 50 30 CHEARN C/C(=N\OC(=O)c1ccc(C)cc1)c1sc(C)nc1C ZINC000001406819 566874133 /nfs/dbraw/zinc/87/41/33/566874133.db2.gz LBYAKKXSCLOQGJ-GZTJUZNOSA-N 0 0 288.372 3.649 50 30 CHEARN C=CCO[C@@H](C)C(=O)N[C@H](c1cccs1)C1CCCC1 ZINC000058025765 566875067 /nfs/dbraw/zinc/87/50/67/566875067.db2.gz UZTNDAVBBFKLKP-WFASDCNBSA-N 0 0 293.432 3.687 50 30 CHEARN C#CCN(Cc1ccc(C)cc1)C(=O)c1cc(F)ccc1F ZINC000058108626 566875082 /nfs/dbraw/zinc/87/50/82/566875082.db2.gz RYXDFXSEONWWGH-UHFFFAOYSA-N 0 0 299.320 3.549 50 30 CHEARN Cc1cc(OCc2ccc(Cl)cc2)c(C#N)c(C)n1 ZINC000084076935 566878490 /nfs/dbraw/zinc/87/84/90/566878490.db2.gz YBPMWNDRGYTUSL-UHFFFAOYSA-N 0 0 272.735 3.803 50 30 CHEARN C=C(C)CSc1nc2sc(C)c(C)c2c(N)n1 ZINC000000123058 566896264 /nfs/dbraw/zinc/89/62/64/566896264.db2.gz KGEVQWWPMKPQOK-UHFFFAOYSA-N 0 0 265.407 3.559 50 30 aggregator CHEARN C=CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000000098481 566897468 /nfs/dbraw/zinc/89/74/68/566897468.db2.gz CBYPMMJZPGRXON-UHFFFAOYSA-N 0 0 282.368 3.619 50 30 CHEARN C=C(Cl)COc1ccc2c(CC)cc(=O)oc2c1C ZINC000000859016 566899616 /nfs/dbraw/zinc/89/96/16/566899616.db2.gz FIFOUHQPLVMKGX-UHFFFAOYSA-N 0 0 278.735 3.795 50 30 CHEARN C#CCc1c(C)nc(-c2ccc(C)cc2)nc1Cl ZINC000001391364 566900716 /nfs/dbraw/zinc/90/07/16/566900716.db2.gz PHRDBONJQPGNGT-UHFFFAOYSA-N 0 0 256.736 3.590 50 30 CHEARN C#C[C@](O)(c1ccc(OCCC)c(Cl)c1)C(C)(C)C ZINC000002167686 566903505 /nfs/dbraw/zinc/90/35/05/566903505.db2.gz YERNUDHWPHTCGA-INIZCTEOSA-N 0 0 280.795 3.996 50 30 CHEARN COc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000002156357 566911824 /nfs/dbraw/zinc/91/18/24/566911824.db2.gz HBMBUIDFFGLVCB-MHWRWJLKSA-N 0 0 270.288 3.662 50 30 CHEARN CC(C)[C@H](c1ccccc1)S(=O)(=O)OCC(C)(C)C ZINC000002165414 566912277 /nfs/dbraw/zinc/91/22/77/566912277.db2.gz WRIHAFNWLDGYKD-CQSZACIVSA-N 0 0 284.421 3.776 50 30 CHEARN CC(C)[C@@H]1CC[C@H]2C[C@@H]3O[C@@]34CC[C@H](C4)CC(=O)[C@H]21 ZINC000257358662 566922603 /nfs/dbraw/zinc/92/26/03/566922603.db2.gz VSBUDEPPTQGEIN-NTVMMBJISA-N 0 0 262.393 3.585 50 30 CHEARN C#Cc1cccc(NCC(=O)Nc2c(C)cccc2CC)c1 ZINC000029981406 566934094 /nfs/dbraw/zinc/93/40/94/566934094.db2.gz KVMFUAYEQRJOHC-UHFFFAOYSA-N 0 0 292.382 3.589 50 30 CHEARN CCc1nc(/C=C2\Cc3ccccc3C2=O)c2ccccn21 ZINC000075093210 566936774 /nfs/dbraw/zinc/93/67/74/566936774.db2.gz CBKATJUUVOUBBC-WYMLVPIESA-N 0 0 288.350 3.719 50 30 CHEARN CCCn1c2ccccc2nc1N=Cc1cccnc1 ZINC000252637614 566960110 /nfs/dbraw/zinc/96/01/10/566960110.db2.gz XUOKIKYMWNQDML-UHFFFAOYSA-N 0 0 264.332 3.592 50 30 CHEARN Cc1ccc(CNc2oc(C(C)C)nc2C#N)cc1 ZINC000026841310 566971836 /nfs/dbraw/zinc/97/18/36/566971836.db2.gz CSSGVXXIQUNLPZ-UHFFFAOYSA-N 0 0 255.321 3.590 50 30 CHEARN COc1ccc2c(c1)ncc(C#N)c2Nc1ccc(F)cc1 ZINC000064438697 566977428 /nfs/dbraw/zinc/97/74/28/566977428.db2.gz VINTYIUPJMIKET-UHFFFAOYSA-N 0 0 293.301 3.998 50 30 CHEARN N#Cc1ccc(Oc2nc(F)c(Cl)c(N)c2Cl)cc1 ZINC000035935818 566982379 /nfs/dbraw/zinc/98/23/79/566982379.db2.gz MUJINSKTXUYLFD-UHFFFAOYSA-N 0 0 298.104 3.774 50 30 CHEARN N#Cc1cnc2c(Br)cccc2c1Cl ZINC000016697137 566983856 /nfs/dbraw/zinc/98/38/56/566983856.db2.gz QHLROYHGQHENCI-UHFFFAOYSA-N 0 0 267.513 3.522 50 30 CHEARN N#Cc1ccc(OCCC(F)(F)F)cc1Br ZINC000169725796 566999858 /nfs/dbraw/zinc/99/98/58/566999858.db2.gz CHVFJXZCWYTIGH-UHFFFAOYSA-N 0 0 294.070 3.652 50 30 CHEARN N#Cc1ncoc1NCc1ccc(-c2ccc(F)cc2)o1 ZINC000526052260 567011818 /nfs/dbraw/zinc/01/18/18/567011818.db2.gz LZJJBQKNEOIWSJ-UHFFFAOYSA-N 0 0 283.262 3.557 50 30 CHEARN COc1ccc(C=NNc2cc(C)c3ccccc3n2)cc1 ZINC000013281357 567016839 /nfs/dbraw/zinc/01/68/39/567016839.db2.gz NKVCSDVOYZWPHT-XDHOZWIPSA-N 0 0 291.354 3.998 50 30 CHEARN N#Cc1cccc(CSc2nnc(C3CC3)n2C2CC2)c1 ZINC000010219870 567018261 /nfs/dbraw/zinc/01/82/61/567018261.db2.gz XGJCGGAUVSSSOW-UHFFFAOYSA-N 0 0 296.399 3.654 50 30 CHEARN C#Cc1cccc(NC(=O)N2C[C@@H](C)CCC[C@H]2C)c1 ZINC000076069058 567029246 /nfs/dbraw/zinc/02/92/46/567029246.db2.gz XXTXJURRJCMGSG-UONOGXRCSA-N 0 0 270.376 3.710 50 30 CHEARN Cc1ccc2[nH]c(=O)c(/C=N/C3CCCCC3)cc2c1 ZINC000017196043 567034773 /nfs/dbraw/zinc/03/47/73/567034773.db2.gz MUSKPRKBFWTUOT-WOJGMQOQSA-N 0 0 268.360 3.588 50 30 CHEARN C[C@H]1[C@@H](C#N)CN1C(c1ccccc1)c1ccccc1 ZINC000196302456 567044741 /nfs/dbraw/zinc/04/47/41/567044741.db2.gz FWCNLDUDKXUUDF-YOEHRIQHSA-N 0 0 262.356 3.620 50 30 CHEARN CCCCCC[C@H]1CC(=O)C=C(C)[C@H]1C(=O)OCC ZINC000002106749 567045219 /nfs/dbraw/zinc/04/52/19/567045219.db2.gz DMEWCRDHMNIMEM-DZGCQCFKSA-N 0 0 266.381 3.671 50 30 biogenic CHEARN Cc1ccc(C)c(N=Cc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000252462378 567051786 /nfs/dbraw/zinc/05/17/86/567051786.db2.gz RWAGFGBMJGYDPF-UHFFFAOYSA-N 0 0 298.298 3.691 50 30 CHEARN Cc1ccsc1C=NNC(=S)Nc1ccc(C)cc1 ZINC000252462200 567052550 /nfs/dbraw/zinc/05/25/50/567052550.db2.gz QPFWRWJKICSEMM-UHFFFAOYSA-N 0 0 289.429 3.685 50 30 CHEARN CCN(CC)c1ccc(C=Nc2cccc(C#N)c2)c(O)c1 ZINC000252463149 567053865 /nfs/dbraw/zinc/05/38/65/567053865.db2.gz ZFQMPLQNASJRAS-UHFFFAOYSA-N 0 0 293.370 3.861 50 30 CHEARN Cc1ccccc1NC(=S)NN=C/C=C\c1ccccc1 ZINC000252475010 567056144 /nfs/dbraw/zinc/05/61/44/567056144.db2.gz QLGMFJKWNOVWEO-YTQSSNFRSA-N 0 0 295.411 3.981 50 30 CHEARN CCCCCc1cnc(-c2ccc(C#N)cc2)nc1 ZINC000002142008 567058074 /nfs/dbraw/zinc/05/80/74/567058074.db2.gz RGONNDWSVOCREF-UHFFFAOYSA-N 0 0 251.333 3.748 50 30 CHEARN N#C[C@H]1CCC[C@@H](Nc2ccc(SCCCO)cc2)C1 ZINC000252499615 567060423 /nfs/dbraw/zinc/06/04/23/567060423.db2.gz SCVMXRDKWAUQJV-DZGCQCFKSA-N 0 0 290.432 3.655 50 30 CHEARN C[C@H](Nc1ncnc2cccc(F)c21)c1cccc(C#N)c1 ZINC000170644293 567061105 /nfs/dbraw/zinc/06/11/05/567061105.db2.gz ZUOSHLPORAGHFR-NSHDSACASA-N 0 0 292.317 3.814 50 30 CHEARN CC(C)=C[C@@H]1[C@H](C(=O)[C@H](C#N)c2cc(C)nc(C)n2)C1(C)C ZINC000252517126 567062974 /nfs/dbraw/zinc/06/29/74/567062974.db2.gz AJNYFYOZLVZJPF-IIAWOOMASA-N 0 0 297.402 3.508 50 30 CHEARN O=C(/C=C/c1cccnc1)c1ccc(N2CCCCC2)cc1 ZINC000007621320 567065055 /nfs/dbraw/zinc/06/50/55/567065055.db2.gz KHOIRNGSJYIDQO-IZZDOVSWSA-N 0 0 292.382 3.968 50 30 CHEARN Cc1cccc2c(N[C@@H](C)c3cccc(C#N)c3)ncnc12 ZINC000170673572 567065906 /nfs/dbraw/zinc/06/59/06/567065906.db2.gz QJBRWZCDPYFFHI-ZDUSSCGKSA-N 0 0 288.354 3.983 50 30 CHEARN CN(C)c1ccc(/C=C/C=NOC(=O)c2ccccc2)cc1 ZINC000252605831 567066243 /nfs/dbraw/zinc/06/62/43/567066243.db2.gz GNDSLBYSASXAJU-JWGBMQLESA-N 0 0 294.354 3.609 50 30 CHEARN CCOc1ccc(C=NOC(=O)/C=C\c2ccccc2)cc1 ZINC000252613700 567066787 /nfs/dbraw/zinc/06/67/87/567066787.db2.gz JCUUFOJYTJIZBH-KDHOSJJSSA-N 0 0 295.338 3.676 50 30 CHEARN C[C@H](CN=Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000252617255 567068299 /nfs/dbraw/zinc/06/82/99/567068299.db2.gz KPKLTYVCSMKXQN-GFCCVEGCSA-N 0 0 269.304 3.796 50 30 CHEARN Cc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1 ZINC000252617593 567068366 /nfs/dbraw/zinc/06/83/66/567068366.db2.gz KWQMKOBPAORKJP-UHFFFAOYSA-N 0 0 263.296 3.754 50 30 CHEARN CCC=CN=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000252629967 567069468 /nfs/dbraw/zinc/06/94/68/567069468.db2.gz URMFIPFOCJMAIQ-NMSZTKHRSA-N 0 0 288.332 3.692 50 30 aggregator CHEARN Nc1ccccc1N=Cc1c(O)ccc2ccccc21 ZINC000252628628 567069725 /nfs/dbraw/zinc/06/97/25/567069725.db2.gz SUOLQBYAKOKEDZ-UHFFFAOYSA-N 0 0 262.312 3.878 50 30 CHEARN N#CCNc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000002345117 567099560 /nfs/dbraw/zinc/09/95/60/567099560.db2.gz TXPSRLUZXXZNQE-UHFFFAOYSA-N 0 0 294.745 3.886 50 30 CHEARN COc1cc(C#N)ccc1OC/C=C/c1ccccc1 ZINC000013012130 567115828 /nfs/dbraw/zinc/11/58/28/567115828.db2.gz JWFWWRFNGIDYSQ-VMPITWQZSA-N 0 0 265.312 3.659 50 30 CHEARN O=C1c2ccccc2CC/C1=C/c1cccc(O)c1 ZINC000096401284 567140451 /nfs/dbraw/zinc/14/04/51/567140451.db2.gz FPPNGOCBEIBIFH-UVTDQMKNSA-N 0 0 250.297 3.605 50 30 CHEARN Cc1ncsc1C(=O)/C=C\c1cc(C)c(O)c(C)c1 ZINC000096297954 567140723 /nfs/dbraw/zinc/14/07/23/567140723.db2.gz CTERKKPOBBJQNG-PLNGDYQASA-N 0 0 273.357 3.670 50 30 CHEARN N#Cc1ccc(C(=O)CCc2ccc(F)cc2)cc1 ZINC000002517376 567146137 /nfs/dbraw/zinc/14/61/37/567146137.db2.gz BMFRAJGWCPIUHQ-UHFFFAOYSA-N 0 0 253.276 3.513 50 30 CHEARN N#C[C@H](c1ccco1)N1CCC(Cc2ccccc2)CC1 ZINC000028291225 567150253 /nfs/dbraw/zinc/15/02/53/567150253.db2.gz BOMGDCNDFLSKIL-QGZVFWFLSA-N 0 0 280.371 3.799 50 30 CHEARN COc1ccc(C=Nc2sc(C)c(C)c2C#N)cc1 ZINC000254744037 567155605 /nfs/dbraw/zinc/15/56/05/567155605.db2.gz LKBUWXQSXWDENA-UHFFFAOYSA-N 0 0 270.357 3.996 50 30 CHEARN Cc1cc(C=C2C(=O)CCCC2=O)c(C)n1-c1ccccc1 ZINC000003177198 567161934 /nfs/dbraw/zinc/16/19/34/567161934.db2.gz ALHLEMUQTSHVOW-UHFFFAOYSA-N 0 0 293.366 3.800 50 30 CHEARN Cc1ccc(NC(=S)N(CCC#N)CC(C)C)cc1C ZINC000003330335 567170036 /nfs/dbraw/zinc/17/00/36/567170036.db2.gz SBRTWBIPBYYUEU-UHFFFAOYSA-N 0 0 289.448 3.872 50 30 CHEARN C=CC[C@@H]1CC=C[C@H](C)N1C(=O)OCc1ccccc1 ZINC000003354705 567172239 /nfs/dbraw/zinc/17/22/39/567172239.db2.gz ZIHKRMPHQOGTEV-GOEBONIOSA-N 0 0 271.360 3.918 50 30 CHEARN Cc1ccc2c(COc3ccccc3C#N)cc(=O)oc2c1 ZINC000003514007 567176728 /nfs/dbraw/zinc/17/67/28/567176728.db2.gz NZRMJPBGVSKODE-UHFFFAOYSA-N 0 0 291.306 3.552 50 30 CHEARN C[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000031102476 567178807 /nfs/dbraw/zinc/17/88/07/567178807.db2.gz IXLBCLRHTMTFAK-KGLIPLIRSA-N 0 0 293.370 3.680 50 30 CHEARN CC(=NOC(=O)Nc1ccc(Cl)cc1)c1ccco1 ZINC000004105068 567187798 /nfs/dbraw/zinc/18/77/98/567187798.db2.gz BMKQIRMLOVMLNU-SXGWCWSVSA-N 0 0 278.695 3.906 50 30 CHEARN Cc1[nH]c(C)c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1C ZINC000004131616 567189800 /nfs/dbraw/zinc/18/98/00/567189800.db2.gz DHCATPRYAOKMGK-RMKNXTFCSA-N 0 0 284.315 3.744 50 30 CHEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccnc1 ZINC000040162170 567199133 /nfs/dbraw/zinc/19/91/33/567199133.db2.gz WJBJVRSYQHNKHN-UHFFFAOYSA-N 0 0 292.791 3.625 50 30 CHEARN CCN(C(=O)c1ccc(C#N)cc1)c1ccccc1C ZINC000019433136 567211829 /nfs/dbraw/zinc/21/18/29/567211829.db2.gz ZUZVUZZTGNIVAN-UHFFFAOYSA-N 0 0 264.328 3.533 50 30 CHEARN Cc1c(/N=C/c2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000000066117 567817700 /nfs/dbraw/zinc/81/77/00/567817700.db2.gz VHOFTJBRNQDBLP-GZTJUZNOSA-N 0 0 283.331 3.720 50 30 CHEARN COc1ccc(/C(C)=N/O)cc1CSc1ccccn1 ZINC000000137662 567819631 /nfs/dbraw/zinc/81/96/31/567819631.db2.gz RCBSBRSAGNDOOR-GZTJUZNOSA-N 0 0 288.372 3.581 50 30 CHEARN C=CCN1C(=O)/C(=N\c2ccc(Cl)cc2)c2ccccc21 ZINC000000159042 567820849 /nfs/dbraw/zinc/82/08/49/567820849.db2.gz WZHSHLTYWPWENP-MNDPQUGUSA-N 0 0 296.757 3.993 50 30 CHEARN CC1(C)Cc2ccccc2C(NN=Cc2cccc(F)c2)=N1 ZINC000000170248 567821394 /nfs/dbraw/zinc/82/13/94/567821394.db2.gz AZMFMMOPPPALAQ-UDWIEESQSA-N 0 0 295.361 3.531 50 30 CHEARN Cc1ccccc1/C=N/c1cc([N+](=O)[O-])ccc1C ZINC000000298284 567824433 /nfs/dbraw/zinc/82/44/33/567824433.db2.gz XODZBRFMETWUAV-MHWRWJLKSA-N 0 0 254.289 3.962 50 30 CHEARN N#CC(C#N)[C@H](CC(=O)c1ccccc1)c1cccs1 ZINC000000407477 567829720 /nfs/dbraw/zinc/82/97/20/567829720.db2.gz AODUFQZOKUAUPI-AWEZNQCLSA-N 0 0 280.352 3.768 50 30 CHEARN Cc1cccc(NC(=S)N/N=C2\CCC[C@@H](C)C2)c1 ZINC000000588183 567834178 /nfs/dbraw/zinc/83/41/78/567834178.db2.gz APWFVTZKOXSDMG-YVYFARNLSA-N 0 0 275.421 3.848 50 30 CHEARN CCCCCCCOc1ccc(C=O)cc1OC ZINC000001747284 567843165 /nfs/dbraw/zinc/84/31/65/567843165.db2.gz ICALILSAQCFUHV-UHFFFAOYSA-N 0 0 250.338 3.857 50 30 CHEARN CCCCc1ccc(NC(=O)ON2CCCCC2)cc1 ZINC000002172244 567845279 /nfs/dbraw/zinc/84/52/79/567845279.db2.gz CHVHSSMTDWYKSZ-UHFFFAOYSA-N 0 0 276.380 3.979 50 30 CHEARN N#CCCCCC(=O)c1ccc(Br)cc1 ZINC000002392782 567846010 /nfs/dbraw/zinc/84/60/10/567846010.db2.gz CWRLGOQGDFIMTM-UHFFFAOYSA-N 0 0 266.138 3.716 50 30 CHEARN COc1ccc(NC=CC(=O)c2cccs2)cc1 ZINC000002858816 567849759 /nfs/dbraw/zinc/84/97/59/567849759.db2.gz IAUQTLRQGVEQMQ-CMDGGOBGSA-N 0 0 259.330 3.565 50 30 CHEARN COc1ccc(C(=O)C=CNc2ccccc2C)cc1 ZINC000003084125 567851250 /nfs/dbraw/zinc/85/12/50/567851250.db2.gz LECFTTGFTXHHKN-VAWYXSNFSA-N 0 0 267.328 3.812 50 30 CHEARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000034895921 567852370 /nfs/dbraw/zinc/85/23/70/567852370.db2.gz RPDSMZSHZPMPDV-YVMONPNESA-N 0 0 259.286 3.552 50 30 CHEARN N#C[C@@H]1c2ccccc2C=CN1C(=O)/C=C\c1ccccc1 ZINC000034911702 567852322 /nfs/dbraw/zinc/85/23/22/567852322.db2.gz HMBJFHBGJSBPCS-RXQFDZFGSA-N 0 0 286.334 3.778 50 30 CHEARN CCNc1ccccc(C(=O)/C=C\c2ccc(C)cc2)c1=O ZINC000034897613 567852873 /nfs/dbraw/zinc/85/28/73/567852873.db2.gz WPWCQYFUZUVYQQ-SEYXRHQNSA-N 0 0 293.366 3.683 50 30 CHEARN CCOc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1 ZINC000004011805 567854628 /nfs/dbraw/zinc/85/46/28/567854628.db2.gz OCJRMZSSQYAGCZ-AWNIVKPZSA-N 0 0 282.339 3.990 50 30 CHEARN Cc1cc(C)c(C(=O)C=Cc2ccc(Cl)cc2)c(=O)[nH]1 ZINC000003998107 567854648 /nfs/dbraw/zinc/85/46/48/567854648.db2.gz KZIVCKUQZIAGNT-VMPITWQZSA-N 0 0 287.746 3.541 50 30 CHEARN Clc1ccc(CO/N=C/c2cccs2)cc1 ZINC000004322421 567856515 /nfs/dbraw/zinc/85/65/15/567856515.db2.gz OKSGMZQWTNDHBM-RIYZIHGNSA-N 0 0 251.738 3.952 50 30 CHEARN Cc1ccc(C(C)N=Nc2nc(C(C)(C)C)cs2)cn1 ZINC000004300512 567856751 /nfs/dbraw/zinc/85/67/51/567856751.db2.gz MWPGWGOJDAJTBT-WOJGMQOQSA-N 0 0 288.420 3.980 50 30 CHEARN O=[N+]([O-])c1ccc(N=NCCCc2ccccc2)cc1 ZINC000004314496 567856777 /nfs/dbraw/zinc/85/67/77/567856777.db2.gz JKHWUAFSSNFDAE-FOWTUZBSSA-N 0 0 269.304 3.625 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000004412260 567857508 /nfs/dbraw/zinc/85/75/08/567857508.db2.gz CLBYJZSPPMBDDF-LFYBBSHMSA-N 0 0 295.338 3.550 50 30 biogenic,in-vitro CHEARN O/N=C/c1ccc2cccc(OCc3ccccc3)c2n1 ZINC000013126741 567865341 /nfs/dbraw/zinc/86/53/41/567865341.db2.gz PYYUETKRCCGPQS-WOJGMQOQSA-N 0 0 278.311 3.622 50 30 CHEARN O=C1c2ccccc2S/C1=C\c1ccccc1O ZINC000013582142 567866737 /nfs/dbraw/zinc/86/67/37/567866737.db2.gz HLPGRFCGYOULHX-ZROIWOOFSA-N 0 0 254.310 3.722 50 30 CHEARN N#Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004529749 567869013 /nfs/dbraw/zinc/86/90/13/567869013.db2.gz XCBOWRSWXPITOO-UHFFFAOYSA-N 0 0 281.355 3.680 50 30 CHEARN CC1=NN([C@H](C#N)c2ccco2)[C@@H](c2ccccc2)C1 ZINC000015022842 567870185 /nfs/dbraw/zinc/87/01/85/567870185.db2.gz RHVNKVLKZPTBPV-HUUCEWRRSA-N 0 0 265.316 3.667 50 30 CHEARN O=[N+]([O-])c1ccc(C=NNc2cccc(Cl)c2)cc1 ZINC000004565408 567870805 /nfs/dbraw/zinc/87/08/05/567870805.db2.gz ADLWGRINMBHWSR-OQLLNIDSSA-N 0 0 275.695 3.694 50 30 CHEARN Cc1ccc(C(=O)C=CNc2ccc3c(c2)OCO3)cc1 ZINC000015856698 567871320 /nfs/dbraw/zinc/87/13/20/567871320.db2.gz NHHJHEYHAJDCDI-HJWRWDBZSA-N 0 0 281.311 3.532 50 30 CHEARN Cc1ccc(C(=O)C=CNc2cccc([N+](=O)[O-])c2)cc1 ZINC000015856399 567871356 /nfs/dbraw/zinc/87/13/56/567871356.db2.gz ZLYHOFAZQKUJBA-KTKRTIGZSA-N 0 0 282.299 3.712 50 30 CHEARN O=C(/C=C\c1ccccc1Cl)c1ccc(O)cc1 ZINC000015924504 567871725 /nfs/dbraw/zinc/87/17/25/567871725.db2.gz GTSKIPKSVPFFLB-YFHOEESVSA-N 0 0 258.704 3.942 50 30 CHEARN C[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000032912665 567872095 /nfs/dbraw/zinc/87/20/95/567872095.db2.gz IVQPHPKKIJNKEG-LLVKDONJSA-N 0 0 283.306 3.580 50 30 CHEARN Clc1ccccc1/C=N/C[C@@H]1COc2ccccc2O1 ZINC000017889209 567876106 /nfs/dbraw/zinc/87/61/06/567876106.db2.gz MRCAECHJWCINNN-AGZSBTIMSA-N 0 0 287.746 3.599 50 30 CHEARN CCN(CC)c1ccc(/N=C2\c3ccccc3NC2=O)cc1 ZINC000018323995 567876756 /nfs/dbraw/zinc/87/67/56/567876756.db2.gz UCLYYKBUUUEVLT-UHFFFAOYSA-N 0 0 293.370 3.606 50 30 CHEARN N#Cc1ccc(NC(=O)CCCc2ccccc2)cc1 ZINC000000458327 567883790 /nfs/dbraw/zinc/88/37/90/567883790.db2.gz FUDNOEFRKFIJMN-UHFFFAOYSA-N 0 0 264.328 3.520 50 30 CHEARN Oc1ccccc1/C=N/Cc1ccc(Br)cc1 ZINC000057411786 567890057 /nfs/dbraw/zinc/89/00/57/567890057.db2.gz ZGUYYDRCJDNPMQ-MHWRWJLKSA-N 0 0 290.160 3.774 50 30 CHEARN O=C(/C=C/c1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000004591960 567891524 /nfs/dbraw/zinc/89/15/24/567891524.db2.gz UPQLIOBHXQDWPW-JXMROGBWSA-N 0 0 292.294 3.972 50 30 CHEARN CCn1cc(/C=C/C(=O)c2cc3ccccc3o2)cn1 ZINC000071899329 567893796 /nfs/dbraw/zinc/89/37/96/567893796.db2.gz AJWYGVAYJXMYHN-BQYQJAHWSA-N 0 0 266.300 3.545 50 30 CHEARN COc1ccc(C=Nc2cc(-c3ccccc3)[nH]n2)cc1 ZINC000072333494 567894925 /nfs/dbraw/zinc/89/49/25/567894925.db2.gz HKHHEHBUNKLLBN-LDADJPATSA-N 0 0 277.327 3.836 50 30 CHEARN O=C(/C=C/c1cccnc1)c1c[nH]c2cc(F)ccc12 ZINC000058250128 567896103 /nfs/dbraw/zinc/89/61/03/567896103.db2.gz MOGHRIMLAQGOLU-ZZXKWVIFSA-N 0 0 266.275 3.598 50 30 CHEARN CCCCCCCCCCCCOCCOCCO ZINC000059622400 567896701 /nfs/dbraw/zinc/89/67/01/567896701.db2.gz AZLWQVJVINEILY-UHFFFAOYSA-N 0 0 274.445 3.933 50 30 CHEARN C=C(C)CSc1nnc(-c2ccccc2OCC)o1 ZINC000060598599 567902715 /nfs/dbraw/zinc/90/27/15/567902715.db2.gz NIMIDSQPNSDLQO-UHFFFAOYSA-N 0 0 276.361 3.804 50 30 CHEARN N#Cc1c(/N=C/c2ccco2)sc2c1CCCC2 ZINC000000037100 567905394 /nfs/dbraw/zinc/90/53/94/567905394.db2.gz KIKHLWUGBYXMQG-CXUHLZMHSA-N 0 0 256.330 3.842 50 30 CHEARN Cc1sc(NC(=O)c2ccc(F)cc2)c(C#N)c1C ZINC000000051690 567905738 /nfs/dbraw/zinc/90/57/38/567905738.db2.gz PHRZKGACMWKEOB-UHFFFAOYSA-N 0 0 274.320 3.628 50 30 CHEARN CC1CCN(c2oc(-c3ccc(F)cc3)nc2C#N)CC1 ZINC000000065766 567906643 /nfs/dbraw/zinc/90/66/43/567906643.db2.gz CDFGMZJOWHIFBJ-UHFFFAOYSA-N 0 0 285.322 3.589 50 30 CHEARN Cc1ccc(NCc2c(C#N)c3ccccc3n2C)cc1 ZINC000000083152 567907823 /nfs/dbraw/zinc/90/78/23/567907823.db2.gz SQJKYLFXXSEEBE-UHFFFAOYSA-N 0 0 275.355 3.971 50 30 CHEARN CC(C)/N=C/c1c2c(ccc1O)oc1c2CCCC1 ZINC000100086710 567911434 /nfs/dbraw/zinc/91/14/34/567911434.db2.gz YYKPHSFULFMFLS-RQZCQDPDSA-N 0 0 257.333 3.845 50 30 CHEARN CCS[C@@H](C)C[C@@H]1Cc2onc(CC)c2/C(=N\O)C1 ZINC000100551866 567913437 /nfs/dbraw/zinc/91/34/37/567913437.db2.gz KQTKQKSKKRBLDB-BFQJWLLSSA-N 0 0 282.409 3.509 50 30 CHEARN CN1c2ccccc2S/C1=C/C(=O)COc1ccccc1 ZINC000101123621 567914707 /nfs/dbraw/zinc/91/47/07/567914707.db2.gz PKOPZFGZFOAVGH-GZTJUZNOSA-N 0 0 297.379 3.718 50 30 CHEARN COc1ccc(C(=O)C/C=N/c2ccccc2)cc1 ZINC000102302232 567915269 /nfs/dbraw/zinc/91/52/69/567915269.db2.gz MGSWTOGMGRCLMD-SFQUDFHCSA-N 0 0 253.301 3.671 50 30 CHEARN COc1cccc(-c2ccc(C)cc2C#N)c1OC ZINC000725264273 567923190 /nfs/dbraw/zinc/92/31/90/567923190.db2.gz UQXXSKAEPADNNN-UHFFFAOYSA-N 0 0 253.301 3.551 50 30 CHEARN COc1cccc(-c2cc(C#N)c(-n3cccc3)o2)c1 ZINC000000144010 567923849 /nfs/dbraw/zinc/92/38/49/567923849.db2.gz OANCZWMEGCGMFS-UHFFFAOYSA-N 0 0 264.284 3.618 50 30 CHEARN CC(C)(C#N)[C@H](OC(=O)c1ccco1)c1ccccc1 ZINC000000185627 567924643 /nfs/dbraw/zinc/92/46/43/567924643.db2.gz BPTBYXVTLRUBQO-CQSZACIVSA-N 0 0 269.300 3.727 50 30 CHEARN Cc1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1C ZINC000000260244 567925683 /nfs/dbraw/zinc/92/56/83/567925683.db2.gz HLJGUOQQOJEFAK-UHFFFAOYSA-N 0 0 271.360 3.557 50 30 CHEARN COc1cccc(/C=N\c2ccc(F)c(Cl)c2)c1O ZINC000000255160 567925769 /nfs/dbraw/zinc/92/57/69/567925769.db2.gz UKUPFAQOFRTPNH-IUXPMGMMSA-N 0 0 279.698 3.944 50 30 CHEARN C=CCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1 ZINC000002512542 567927348 /nfs/dbraw/zinc/92/73/48/567927348.db2.gz CXPLNUIZUUBDCU-UHFFFAOYSA-N 0 0 298.338 3.869 50 30 CHEARN O=C1c2ccccc2SC1=CNc1ccc(O)cc1 ZINC000100463133 567927375 /nfs/dbraw/zinc/92/73/75/567927375.db2.gz WFEPSOVFDOMUIF-NTEUORMPSA-N 0 0 269.325 3.634 50 30 CHEARN CCCCC(NCCc1ccccc1)=C1C(=O)CCCC1=O ZINC000100733418 567928376 /nfs/dbraw/zinc/92/83/76/567928376.db2.gz WBEXWOVJYBLHQQ-UHFFFAOYSA-N 0 0 299.414 3.585 50 30 CHEARN C=CCNC(=O)[C@@H](C)SCc1cccc2ccccc21 ZINC000069921491 567928569 /nfs/dbraw/zinc/92/85/69/567928569.db2.gz DPLMSILROZMLTE-CYBMUJFWSA-N 0 0 285.412 3.764 50 30 CHEARN Cc1cc(C)cc(NC=C2C(=O)CC(C)(C)CC2=O)c1 ZINC000000192814 567929727 /nfs/dbraw/zinc/92/97/27/567929727.db2.gz XLFONMMJGFTWAO-UHFFFAOYSA-N 0 0 271.360 3.557 50 30 CHEARN C=CCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 ZINC000002556802 567929983 /nfs/dbraw/zinc/92/99/83/567929983.db2.gz XGRKLNHEYFRXFW-UHFFFAOYSA-N 0 0 293.322 3.732 50 30 CHEARN CC(C)(C)C1=CC(C(C)(C)C)=C(Cl)C(=O)C1=O ZINC000001763270 567931575 /nfs/dbraw/zinc/93/15/75/567931575.db2.gz ZKRLBHOGMYNZBH-UHFFFAOYSA-N 0 0 254.757 3.650 50 30 CHEARN O=[N+]([O-])c1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)cc1 ZINC000017195260 567935035 /nfs/dbraw/zinc/93/50/35/567935035.db2.gz AKPYBCMNDWXYSG-WOJGMQOQSA-N 0 0 284.359 3.983 50 30 CHEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(F)cc1 ZINC000017373687 567935100 /nfs/dbraw/zinc/93/51/00/567935100.db2.gz CZCSLZYIOLVCDV-UVTDQMKNSA-N 0 0 298.342 3.717 50 30 CHEARN COc1ccc([C@H]2CC(=O)C=C(NC3CCCC3)C2)cc1 ZINC000017532698 567935468 /nfs/dbraw/zinc/93/54/68/567935468.db2.gz JKWBWAWYXROHOO-CQSZACIVSA-N 0 0 285.387 3.558 50 30 CHEARN Cc1ccc(Sc2nc3sccn3c2/C=N\O)cc1 ZINC000100923053 567939431 /nfs/dbraw/zinc/93/94/31/567939431.db2.gz QCIBOYKLVLWCBX-ZSOIEALJSA-N 0 0 289.385 3.664 50 30 CHEARN C[C@@H]1CCC[C@H](C)N1/N=C/c1ccccc1Cl ZINC000018275998 567940762 /nfs/dbraw/zinc/94/07/62/567940762.db2.gz SGUIEVJNEOBDHX-MTCUZCOSSA-N 0 0 250.773 3.937 50 30 CHEARN COc1ccccc1C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000000507375 567941290 /nfs/dbraw/zinc/94/12/90/567941290.db2.gz NKNYYNOAMLZXIB-UHFFFAOYSA-N 0 0 298.725 3.724 50 30 CHEARN CCCCCC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl ZINC000102983991 567942436 /nfs/dbraw/zinc/94/24/36/567942436.db2.gz WQQGUDIFXACZID-NSHDSACASA-N 0 0 292.766 3.568 50 30 CHEARN CCOc1ccc(C(=O)C=CNc2ccccc2OC)cc1 ZINC000051318781 567944344 /nfs/dbraw/zinc/94/43/44/567944344.db2.gz NYXXCHFEKDZACV-OUKQBFOZSA-N 0 0 297.354 3.902 50 30 CHEARN CCc1c(C)sc(NC(=O)c2cccs2)c1C#N ZINC000000368528 567948895 /nfs/dbraw/zinc/94/88/95/567948895.db2.gz NASHEFOOQOUQAV-UHFFFAOYSA-N 0 0 276.386 3.804 50 30 CHEARN CCSC1=N/C(=C/c2cccc(F)c2)C(=O)S1 ZINC000000199541 567951541 /nfs/dbraw/zinc/95/15/41/567951541.db2.gz IRAHFKBFTDWWPS-JXMROGBWSA-N 0 0 267.350 3.549 50 30 CHEARN CC(=NN=c1[nH]c2ccccc2s1)c1ccc(O)cc1 ZINC000004474898 570221914 /nfs/dbraw/zinc/22/19/14/570221914.db2.gz MSOOMDMMNLZNFZ-LICLKQGHSA-N 0 0 283.356 3.838 50 30 CHEARN C/C(=N\N=C(\C)c1ccc(C)cc1O)c1ccc(C)cc1O ZINC000013509572 570235347 /nfs/dbraw/zinc/23/53/47/570235347.db2.gz OSXHKTJNIGJSKW-LRVMPXQBSA-N 0 0 296.370 3.948 50 30 CHEARN C=CCN1C(=O)/C(=C/c2ccc(C)cc2C)SC1=S ZINC000033318230 570253363 /nfs/dbraw/zinc/25/33/63/570253363.db2.gz DEJCDVMUBNMBHC-LCYFTJDESA-N 0 0 289.425 3.691 50 30 CHEARN CCOc1ccc2c(c1)C(=O)C(=CN[C@@H](C)CC)S2 ZINC000100311227 570266736 /nfs/dbraw/zinc/26/67/36/570266736.db2.gz KZMZHDUGFYSQEY-RSYJBZMQSA-N 0 0 277.389 3.603 50 30 CHEARN Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1CCC(C)C ZINC000100573478 570267709 /nfs/dbraw/zinc/26/77/09/570267709.db2.gz AVGTWRLHTJIKNU-UHFFFAOYSA-N 0 0 293.370 3.550 50 30 CHEARN C=CCCC(=O)N1CCCC[C@@H](c2ccccc2)C1 ZINC000217287212 570271250 /nfs/dbraw/zinc/27/12/50/570271250.db2.gz WQGPENXIUFWWPS-MRXNPFEDSA-N 0 0 257.377 3.749 50 30 CHEARN N#Cc1ccc(N2CCC[C@@H]2c2ccsc2)c([N+](=O)[O-])c1 ZINC000048262743 570296573 /nfs/dbraw/zinc/29/65/73/570296573.db2.gz LDGDIENVCMIJJY-CYBMUJFWSA-N 0 0 299.355 3.869 50 30 CHEARN N#Cc1ccc(OCc2csc(-c3ccccn3)n2)cc1 ZINC000012257145 570301718 /nfs/dbraw/zinc/30/17/18/570301718.db2.gz LUQCUOOXRGAETI-UHFFFAOYSA-N 0 0 293.351 3.656 50 30 CHEARN N#Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000000812224 570309705 /nfs/dbraw/zinc/30/97/05/570309705.db2.gz XVQZXXZMESUNQH-UHFFFAOYSA-N 0 0 256.736 3.501 50 30 CHEARN C=CCOc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1 ZINC000023165178 570310987 /nfs/dbraw/zinc/31/09/87/570310987.db2.gz XOGPFUDPNMJMQT-DHZHZOJOSA-N 0 0 280.323 3.853 50 30 CHEARN CC(=O)Nc1cccc(C(=O)/C=C\c2cccs2)c1 ZINC000033447058 570312568 /nfs/dbraw/zinc/31/25/68/570312568.db2.gz VSKICAQVTKOVTO-FPLPWBNLSA-N 0 0 271.341 3.603 50 30 CHEARN CC[C@H](C(=O)Nc1sccc1C#N)c1ccccc1 ZINC000001053457 570323873 /nfs/dbraw/zinc/32/38/73/570323873.db2.gz SMTHXSJMONUFKU-ZDUSSCGKSA-N 0 0 270.357 3.752 50 30 CHEARN N#CCc1c(Cl)ccc(Cl)c1OC(F)F ZINC000263623485 570325667 /nfs/dbraw/zinc/32/56/67/570325667.db2.gz HVSUVULUQYQLFY-UHFFFAOYSA-N 0 0 252.047 3.661 50 30 CHEARN N#Cc1ccc(C(=O)OCc2nc3ccccc3s2)cc1 ZINC000003264593 570327498 /nfs/dbraw/zinc/32/74/98/570327498.db2.gz JEFREUIMXXYHMH-UHFFFAOYSA-N 0 0 294.335 3.525 50 30 CHEARN O=[N+]([O-])c1ccc(Nc2c(/C=N/O)[nH]c3ccccc32)cc1 ZINC000003904861 570328975 /nfs/dbraw/zinc/32/89/75/570328975.db2.gz PLQLYJCHBJSIJE-CXUHLZMHSA-N 0 0 296.286 3.628 50 30 CHEARN N#C[C@@H](c1ccccc1O)N1CCCC[C@H]1c1cccnc1 ZINC000252694130 570378638 /nfs/dbraw/zinc/37/86/38/570378638.db2.gz IDQFGKVZIKXFRS-IRXDYDNUSA-N 0 0 293.370 3.579 50 30 biogenic CHEARN COc1ccc(/C=C2\Cc3ccccc3C2=O)cc1OC ZINC000000084756 570382457 /nfs/dbraw/zinc/38/24/57/570382457.db2.gz FJGZVPFZRZDBNC-NTEUORMPSA-N 0 0 280.323 3.526 50 30 CHEARN CC[C@@H]1CN(C(=O)C[C@@H](C)C#N)CC[C@H]1c1ccccc1 ZINC000253404786 570385103 /nfs/dbraw/zinc/38/51/03/570385103.db2.gz RWNRWUWUFCPFFM-BFYDXBDKSA-N 0 0 284.403 3.578 50 30 CHEARN Cc1nc(-c2ccc(Cl)cc2Cl)nc(C)c1C#N ZINC000000338865 570387998 /nfs/dbraw/zinc/38/79/98/570387998.db2.gz LRCJAYYWTWHDJU-UHFFFAOYSA-N 0 0 278.142 3.939 50 30 CHEARN Cc1nc(C)c(C#N)c(-c2c(F)cccc2Cl)c1C#N ZINC000000406501 570388201 /nfs/dbraw/zinc/38/82/01/570388201.db2.gz WZKFGMBOZNGNQC-UHFFFAOYSA-N 0 0 285.709 3.901 50 30 CHEARN Cc1cc(=O)oc2cc(Oc3ccccc3C#N)ccc12 ZINC000020077526 570389986 /nfs/dbraw/zinc/38/99/86/570389986.db2.gz HGYOHKRYLJAHRT-UHFFFAOYSA-N 0 0 277.279 3.765 50 30 CHEARN CCN(C(=O)c1cccc(C#N)c1)c1ccccc1C ZINC000012909402 570390328 /nfs/dbraw/zinc/39/03/28/570390328.db2.gz CIZWAKAMZKSLDH-UHFFFAOYSA-N 0 0 264.328 3.533 50 30 CHEARN Cc1ccc(C)c(Oc2ccc([N+](=O)[O-])cc2C#N)c1 ZINC000002623724 570396734 /nfs/dbraw/zinc/39/67/34/570396734.db2.gz WXXALYKJMYQDIF-UHFFFAOYSA-N 0 0 268.272 3.876 50 30 CHEARN N#Cc1c2c(sc1NC(=O)c1ccncc1)CCCCC2 ZINC000002742392 570398350 /nfs/dbraw/zinc/39/83/50/570398350.db2.gz BPQYKEQWIDSYGJ-UHFFFAOYSA-N 0 0 297.383 3.536 50 30 CHEARN N#Cc1cccc(NC(=O)c2ccc3ccccc3c2)c1 ZINC000003438050 570399443 /nfs/dbraw/zinc/39/94/43/570399443.db2.gz NETOUGNNGHJWSK-UHFFFAOYSA-N 0 0 272.307 3.964 50 30 CHEARN N#Cc1ccc(C(=O)O[C@@H]2CCCc3ccccc32)cc1 ZINC000012788053 1125495327 /nfs/dbraw/zinc/49/53/27/1125495327.db2.gz OOZBVNBNPQVUSN-QGZVFWFLSA-N 0 0 277.323 3.793 50 30 CHEARN N#Cc1cccnc1NCc1ccc(Cl)cc1Cl ZINC000024106619 1125584839 /nfs/dbraw/zinc/58/48/39/1125584839.db2.gz BEOXHHYUVSBTPA-UHFFFAOYSA-N 0 0 278.142 3.872 50 30 CHEARN C[C@@H](Nc1ncccc1C#N)c1ccccc1Cl ZINC000024107402 1125585408 /nfs/dbraw/zinc/58/54/08/1125585408.db2.gz MPWFHHVSXPQPNY-SNVBAGLBSA-N 0 0 257.724 3.780 50 30 CHEARN C[C@H](Nc1ncccc1C#N)c1ccccc1Cl ZINC000024107404 1125585794 /nfs/dbraw/zinc/58/57/94/1125585794.db2.gz MPWFHHVSXPQPNY-JTQLQIEISA-N 0 0 257.724 3.780 50 30 CHEARN C=CC(=O)c1ccc2ccc(Br)cc2c1 ZINC000043214945 1126930309 /nfs/dbraw/zinc/93/03/09/1126930309.db2.gz PZTYVLRJVXDOQM-UHFFFAOYSA-N 0 0 261.118 3.971 50 30 CHEARN CCON=C(C)c1sc(-c2ccc(O)cc2)nc1C ZINC000254464008 1127099443 /nfs/dbraw/zinc/09/94/43/1127099443.db2.gz WITZUCQMJQZCPH-UHFFFAOYSA-N 0 0 276.361 3.585 50 30 CHEARN Cc1cn2c(/C=C/C(=O)c3ccc(O)cc3)c(C)nc2s1 ZINC000012541269 1127894957 /nfs/dbraw/zinc/89/49/57/1127894957.db2.gz JGRWNJKPYVYEHN-BQYQJAHWSA-N 0 0 298.367 3.614 50 30 CHEARN COc1ccc(C(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000032266148 1128276703 /nfs/dbraw/zinc/27/67/03/1128276703.db2.gz OAJAFWHLVBVKQH-WCIBSUBMSA-N 0 0 256.276 3.730 50 30 CHEARN C#CCCC(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000225473147 1119357681 /nfs/dbraw/zinc/35/76/81/1119357681.db2.gz WDXPQUFNQAGEPV-UHFFFAOYSA-N 0 0 268.360 3.649 50 30 CHEARN Cc1cc(/C=C/C(=O)c2ccc(O)cc2)cc(C)c1O ZINC000016405699 1119851090 /nfs/dbraw/zinc/85/10/90/1119851090.db2.gz XRIGJTYZFQSPFC-FPYGCLRLSA-N 0 0 268.312 3.611 50 30 CHEARN Cc1ccc(-c2nc(C#N)c(NCC(C)C)o2)cc1 ZINC000000065833 1120123213 /nfs/dbraw/zinc/12/32/13/1120123213.db2.gz DKZGZUSNRYQDHF-UHFFFAOYSA-N 0 0 255.321 3.590 50 30 CHEARN CC(C)c1ccc(N=C2NC(=N)c3ccccc32)cc1 ZINC000013636329 1120170782 /nfs/dbraw/zinc/17/07/82/1120170782.db2.gz WMFATYUZVIJFRF-UHFFFAOYSA-N 0 0 263.344 3.607 50 30 CHEARN C=CCNC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000045479984 1120760677 /nfs/dbraw/zinc/76/06/77/1120760677.db2.gz VNGAZHYLRZZOQZ-BANKROOTSA-N 0 0 295.426 3.827 50 30 CHEARN C=C(Cl)COc1cc(C)cc2oc(=O)c3c(c12)CCC3 ZINC000002980456 1121120292 /nfs/dbraw/zinc/12/02/92/1121120292.db2.gz PJMKYZGMBWBIST-UHFFFAOYSA-N 0 0 290.746 3.721 50 30 CHEARN C[C@@H](c1ccccc1)[C@@H](CS)NC(=O)OC(C)(C)C ZINC000685950276 1121620601 /nfs/dbraw/zinc/62/06/01/1121620601.db2.gz MANAXOOMAFCKST-WCQYABFASA-N 0 0 281.421 3.613 50 30 CHEARN N#Cc1ccc(NCc2nc(-c3ccccc3)cs2)nc1 ZINC000052008324 1121621472 /nfs/dbraw/zinc/62/14/72/1121621472.db2.gz OMCARUXOHNXYGA-UHFFFAOYSA-N 0 0 292.367 3.689 50 30 CHEARN C=CCCC(=O)NCc1ccc(-c2ccsc2)o1 ZINC000618256794 1121702271 /nfs/dbraw/zinc/70/22/71/1121702271.db2.gz XBXUGGDTRCKJSI-UHFFFAOYSA-N 0 0 261.346 3.591 50 30 CHEARN COc1ccccc1C=NN=c1[nH]c2ccccc2s1 ZINC000017299281 1123234536 /nfs/dbraw/zinc/23/45/36/1123234536.db2.gz UIMGGMPJDONFBG-UHFFFAOYSA-N 0 0 283.356 3.751 50 30 CHEARN N#Cc1cccc2c1CCCN2C(=O)c1ccoc1C1CC1 ZINC000585089706 1131288315 /nfs/dbraw/zinc/28/83/15/1131288315.db2.gz RFZHZWCTIKQHPS-UHFFFAOYSA-N 0 0 292.338 3.622 50 30 CHEARN C[Si](C)(C)C#Cc1ccc(Br)cc1 ZINC000169744563 1125277790 /nfs/dbraw/zinc/27/77/90/1125277790.db2.gz RNMSGCJGNJYDNS-UHFFFAOYSA-N 0 0 253.215 3.678 50 30 CHEARN CCCCCCCCCC[C@H]1[NH2+][C@H](C(=O)[O-])CS1 ZINC000043382129 1125393563 /nfs/dbraw/zinc/39/35/63/1125393563.db2.gz LUMXFYRGPARGCA-STQMWFEESA-N 0 0 273.442 3.633 50 30 CHEARN CC(C)(C)c1cc(-c2ccc(C#N)cc2)nc(NC2CC2)n1 ZINC000826782644 1129342841 /nfs/dbraw/zinc/34/28/41/1129342841.db2.gz RDPNDJSEMDZENR-UHFFFAOYSA-N 0 0 292.386 3.887 50 30 CHEARN COc1ccc(C)cc1/C=C\C(=O)Nc1cccc(C#N)c1 ZINC000097997361 1129636611 /nfs/dbraw/zinc/63/66/11/1129636611.db2.gz RGUFHIMDXXWNKR-CLFYSBASSA-N 0 0 292.338 3.527 50 30 CHEARN O=C(/C=C\c1ccc2nccnc2c1)c1ccsc1 ZINC000098006517 1129638269 /nfs/dbraw/zinc/63/82/69/1129638269.db2.gz RETOKEQQFUPVLC-RQOWECAXSA-N 0 0 266.325 3.587 50 30 CHEARN CC(=NN=c1[nH]c2ccccc2s1)c1cccnc1 ZINC000254405801 1129693040 /nfs/dbraw/zinc/69/30/40/1129693040.db2.gz JWMMGEBFIYWTGX-UHFFFAOYSA-N 0 0 268.345 3.527 50 30 CHEARN C[C@H](CN=Nc1nc2ccccc2[nH]1)c1ccccc1 ZINC000254412181 1129693770 /nfs/dbraw/zinc/69/37/70/1129693770.db2.gz LBGQVLARMMBDQC-GFCCVEGCSA-N 0 0 264.332 3.764 50 30 CHEARN COc1ccc(O)c(C=Nc2ccc(C)cc2C)c1 ZINC000254440500 1129694778 /nfs/dbraw/zinc/69/47/78/1129694778.db2.gz RAUYCOWXMYREHC-UHFFFAOYSA-N 0 0 255.317 3.768 50 30 CHEARN CC(Cc1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1 ZINC000254759193 1129709239 /nfs/dbraw/zinc/70/92/39/1129709239.db2.gz ONTSJNFEGXJCLQ-UHFFFAOYSA-N 0 0 269.304 3.625 50 30 CHEARN C[C@@H]1CCC[C@H](C)N1N=Cc1ccccc1OC(F)F ZINC000254841684 1129713392 /nfs/dbraw/zinc/71/33/92/1129713392.db2.gz SLCKKVHNXCAZQY-TXEJJXNPSA-N 0 0 282.334 3.885 50 30 CHEARN Cc1c(CC#N)c2ccccc2n1CCc1ccc(C)nc1 ZINC000000184618 1129731641 /nfs/dbraw/zinc/73/16/41/1129731641.db2.gz XMEDBMWXCBCADK-UHFFFAOYSA-N 0 0 289.382 3.962 50 30 CHEARN C=CCN[C@H](c1ccccc1)P(=O)(OCC)OCC ZINC000019774454 1129846344 /nfs/dbraw/zinc/84/63/44/1129846344.db2.gz WUQZQZOUBOKHHC-AWEZNQCLSA-N 0 0 283.308 3.727 50 30 CHEARN Nc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000016989690 230371640 /nfs/dbraw/zinc/37/16/40/230371640.db2.gz WEQIGXKAIRDXHQ-XCVCLJGOSA-N 0 0 257.720 3.818 50 30 CHEARN CSCc1cccc(NC(=O)N(C)[C@@H](C)CC#N)c1C ZINC000095964703 185045732 /nfs/dbraw/zinc/04/57/32/185045732.db2.gz DWINHCDGPXKTDF-NSHDSACASA-N 0 0 291.420 3.624 50 30 CHEARN C=CCOc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1 ZINC000096663092 185108639 /nfs/dbraw/zinc/10/86/39/185108639.db2.gz QQWDIEGAETYVAX-VBKFSLOCSA-N 0 0 277.323 3.744 50 30 CHEARN CN(C)c1ccc(C(=O)/C=C\c2ccc(C#N)cc2)cc1 ZINC000096765837 185112503 /nfs/dbraw/zinc/11/25/03/185112503.db2.gz QFUATAZEPSXBFN-GHXNOFRVSA-N 0 0 276.339 3.520 50 30 CHEARN N#CCc1ccc(NC(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000096879216 185119481 /nfs/dbraw/zinc/11/94/81/185119481.db2.gz QJAMCDJZPOYPMY-YHYXMXQVSA-N 0 0 280.302 3.544 50 30 CHEARN C[C@@H](NC(=O)/C=C\c1ccccc1C#N)c1cccs1 ZINC000096930938 185132049 /nfs/dbraw/zinc/13/20/49/185132049.db2.gz VMDQLMNUNPLGCP-JLVNDZCYSA-N 0 0 282.368 3.510 50 30 CHEARN C=CCOc1cccc(/C=C2\Oc3cc(O)ccc3C2=O)c1 ZINC000096930460 185132160 /nfs/dbraw/zinc/13/21/60/185132160.db2.gz ALGDTZJFOIUPRT-YVLHZVERSA-N 0 0 294.306 3.573 50 30 CHEARN COc1ccc(F)cc1C(=O)/C=C\c1cccc(C#N)c1 ZINC000096973198 185144117 /nfs/dbraw/zinc/14/41/17/185144117.db2.gz YWNRICTUXCNJOF-ALCCZGGFSA-N 0 0 281.286 3.602 50 30 CHEARN C[C@@H]1CN(Cc2cn3ccccc3c2C#N)c2ccccc21 ZINC000084715188 178920372 /nfs/dbraw/zinc/92/03/72/178920372.db2.gz YNEWQRFYPMBPJX-CQSZACIVSA-N 0 0 287.366 3.935 50 30 CHEARN CC(C)(C#N)CCCn1ccnc1-c1cccs1 ZINC000087608862 179453649 /nfs/dbraw/zinc/45/36/49/179453649.db2.gz NIJWEHXVJICTSM-UHFFFAOYSA-N 0 0 259.378 3.942 50 30 CHEARN N#Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@H](c1ccccc1)N2 ZINC000104291475 185956888 /nfs/dbraw/zinc/95/68/88/185956888.db2.gz OJBHROLRSPCVNR-JCGIZDLHSA-N 0 0 276.339 3.803 50 30 CHEARN Cc1c(Cl)cc(C(=O)N2CCC[C@H](C#N)C2)cc1Cl ZINC000091593871 180200984 /nfs/dbraw/zinc/20/09/84/180200984.db2.gz DJKAJTSAUMXVFM-SNVBAGLBSA-N 0 0 297.185 3.678 50 30 CHEARN C[Si](C)(C)C#Cc1cccc(Br)c1 ZINC000170153987 188670053 /nfs/dbraw/zinc/67/00/53/188670053.db2.gz BXXMHQYHYOTTPM-UHFFFAOYSA-N 0 0 253.215 3.678 50 30 CHEARN N#Cc1ccc(CSc2nnc(-c3cccs3)o2)cc1 ZINC000002634145 169816711 /nfs/dbraw/zinc/81/67/11/169816711.db2.gz KBMRYRSBGWASEU-UHFFFAOYSA-N 0 0 299.380 3.962 50 30 CHEARN N#Cc1ccc2c(ccn2C(=O)c2cccc(Cl)c2)c1 ZINC000227156687 189781577 /nfs/dbraw/zinc/78/15/77/189781577.db2.gz NYYPFHSFNZCUJW-UHFFFAOYSA-N 0 0 280.714 3.855 50 30 CHEARN CCSc1cc(C(F)(F)F)cc([N+](=O)[O-])c1C#N ZINC000261494950 190039561 /nfs/dbraw/zinc/03/95/61/190039561.db2.gz WUTWKQWOYMTWMI-UHFFFAOYSA-N 0 0 276.239 3.597 50 30 CHEARN N#Cc1ccc(OCC(=O)c2ccc(Cl)s2)cc1 ZINC000002644059 169817711 /nfs/dbraw/zinc/81/77/11/169817711.db2.gz VWDCIIWLUVRLBM-UHFFFAOYSA-N 0 0 277.732 3.535 50 30 CHEARN N#Cc1c2c(sc1NC(=O)c1cccnc1)CCCCC2 ZINC000000038317 169513061 /nfs/dbraw/zinc/51/30/61/169513061.db2.gz SSPOMKPGMRALEV-UHFFFAOYSA-N 0 0 297.383 3.536 50 30 CHEARN CC(C)(C)C1=C[C@@H](C(C#N)C#N)c2ccccc2O1 ZINC000000086353 169531037 /nfs/dbraw/zinc/53/10/37/169531037.db2.gz IMBXCARUPOSNGA-ZDUSSCGKSA-N 0 0 252.317 3.756 50 30 CHEARN N#Cc1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000000118706 169542729 /nfs/dbraw/zinc/54/27/29/169542729.db2.gz KLEHGBDHLZLJIP-UHFFFAOYSA-N 0 0 276.198 3.537 50 30 CHEARN CN(C)/C=C/C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000000142901 169552460 /nfs/dbraw/zinc/55/24/60/169552460.db2.gz NTMJZPOGRHQRGY-OUKQBFOZSA-N 0 0 267.328 3.737 50 30 CHEARN Cc1ccc(NC(=O)O/N=C/c2ccc(N(C)C)cc2)cc1 ZINC000000194256 169570197 /nfs/dbraw/zinc/57/01/97/169570197.db2.gz WJHVYQRWALIBIG-LDADJPATSA-N 0 0 297.358 3.644 50 30 CHEARN CC(=O)c1ccc(N=Cc2ccc([N+](=O)[O-])s2)cc1 ZINC000000282422 169596650 /nfs/dbraw/zinc/59/66/50/169596650.db2.gz SDQPEVPMZCICME-RIYZIHGNSA-N 0 0 274.301 3.610 50 30 CHEARN Cc1cccc(C)c1NC(=O)Nc1ccc(C#N)cc1 ZINC000000398121 169630372 /nfs/dbraw/zinc/63/03/72/169630372.db2.gz JBYYLKGODUQCOH-UHFFFAOYSA-N 0 0 265.316 3.819 50 30 CHEARN N#Cc1nc(-c2ccc(F)cc2)oc1NCc1ccccc1 ZINC000000408748 169633064 /nfs/dbraw/zinc/63/30/64/169633064.db2.gz NIOKRHCYLVTGMW-UHFFFAOYSA-N 0 0 293.301 3.964 50 30 CHEARN CCOc1ccccc1/C=C1\N=C(SCC)SC1=O ZINC000000458111 169645859 /nfs/dbraw/zinc/64/58/59/169645859.db2.gz RWYHPQJDQVYGIL-LUAWRHEFSA-N 0 0 293.413 3.809 50 30 CHEARN CCSc1nc(-c2ccc(OC)cc2)ccc1C#N ZINC000004092507 184531310 /nfs/dbraw/zinc/53/13/10/184531310.db2.gz FTVQHABQGQPSRO-UHFFFAOYSA-N 0 0 270.357 3.741 50 30 CHEARN CC1CCN(c2oc(-c3ccccc3F)nc2C#N)CC1 ZINC000000529187 169663113 /nfs/dbraw/zinc/66/31/13/169663113.db2.gz HKTQMNIBQUGQPC-UHFFFAOYSA-N 0 0 285.322 3.589 50 30 CHEARN C=C(C)CSc1nc2sc(C)c(C)c2c(=O)n1CC ZINC000000531502 169663522 /nfs/dbraw/zinc/66/35/22/169663522.db2.gz LUDVFGNFGLRICC-UHFFFAOYSA-N 0 0 294.445 3.763 50 30 CHEARN Cc1ccc(C(=O)C=CNc2cc(C)ccc2O)cc1 ZINC000004663529 260016057 /nfs/dbraw/zinc/01/60/57/260016057.db2.gz VNKCLXJUXHFUCW-MDZDMXLPSA-N 0 0 267.328 3.818 50 30 CHEARN O=C1CCCC1=NNc1ccc(OCc2ccccc2)cc1 ZINC000100436514 256842949 /nfs/dbraw/zinc/84/29/49/256842949.db2.gz PZDUIOPDWHBIJJ-JZJYNLBNSA-N 0 0 294.354 3.787 50 30 CHEARN COc1cc(C(=O)/C=C\c2ccccc2C)ccc1O ZINC000097993510 533507179 /nfs/dbraw/zinc/50/71/79/533507179.db2.gz IFTVVEZSBGYXQZ-CLFYSBASSA-N 0 0 268.312 3.605 50 30 CHEARN C=CCOc1c(-c2ccco2)oc2cc(C)ccc2c1=O ZINC000001910696 169762793 /nfs/dbraw/zinc/76/27/93/169762793.db2.gz PMTYJQVEUREQHX-UHFFFAOYSA-N 0 0 282.295 3.926 50 30 CHEARN C=CCNC(=S)N(CCCCC)CCCCC ZINC000002166635 169778502 /nfs/dbraw/zinc/77/85/02/169778502.db2.gz ZLPVWTPZWLRKHZ-UHFFFAOYSA-N 0 0 256.459 3.729 50 30 CHEARN COc1ccc(OC)c(/N=C/c2ccc(C)cc2)c1 ZINC000002171614 169779174 /nfs/dbraw/zinc/77/91/74/169779174.db2.gz PURUTOPMXBSAER-GZTJUZNOSA-N 0 0 255.317 3.763 50 30 CHEARN N#Cc1cccc(C(=O)CCc2cc(F)c(F)c(F)c2)c1 ZINC000002517843 169800454 /nfs/dbraw/zinc/80/04/54/169800454.db2.gz DRYOBUBRFKADNF-UHFFFAOYSA-N 0 0 289.256 3.791 50 30 CHEARN COc1cccc(OCc2ccccc2Cl)c1C#N ZINC000002539769 169805783 /nfs/dbraw/zinc/80/57/83/169805783.db2.gz GCIORKDTAMLZOY-UHFFFAOYSA-N 0 0 273.719 3.799 50 30 CHEARN Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000002742257 169824449 /nfs/dbraw/zinc/82/44/49/169824449.db2.gz IABDKQCIDBBTDK-UHFFFAOYSA-N 0 0 286.356 3.652 50 30 CHEARN C#CCOc1ccc2ccccc2c1Br ZINC000003204636 169868037 /nfs/dbraw/zinc/86/80/37/169868037.db2.gz SZEDNMWTIBLPQH-UHFFFAOYSA-N 0 0 261.118 3.614 50 30 CHEARN C=CCn1c(/C=C/c2ccco2)nc2ccccc21 ZINC000004003957 169928747 /nfs/dbraw/zinc/92/87/47/169928747.db2.gz LXQFNLLSNZEZGX-MDZDMXLPSA-N 0 0 250.301 3.986 50 30 CHEARN Fc1cccc(C=NNc2ccc3ccccc3n2)c1 ZINC000004703518 170001717 /nfs/dbraw/zinc/00/17/17/170001717.db2.gz OXOWRQJOJPMAHC-WOJGMQOQSA-N 0 0 265.291 3.820 50 30 CHEARN C/C(=N/OC(=O)/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000004725214 170006715 /nfs/dbraw/zinc/00/67/15/170006715.db2.gz WIAUVMXWAVZQCD-DTLUPDQHSA-N 0 0 283.302 3.806 50 30 CHEARN O=[N+]([O-])c1ccc(/C=N/[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000004729876 170007122 /nfs/dbraw/zinc/00/71/22/170007122.db2.gz GOIHYSQQEDOKCD-KDUYSQSBSA-N 0 0 266.300 3.570 50 30 CHEARN CCOc1cc(C#N)ccc1OCc1ccccc1F ZINC000004813947 170021942 /nfs/dbraw/zinc/02/19/42/170021942.db2.gz GBNRAPGRSOBUSN-UHFFFAOYSA-N 0 0 271.291 3.675 50 30 CHEARN O=C1c2ccccc2CC/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000004826212 170024687 /nfs/dbraw/zinc/02/46/87/170024687.db2.gz AWXLDILHUGGCBX-GXDHUFHOSA-N 0 0 279.295 3.807 50 30 CHEARN Cc1ccc(NC(=O)c2ccc(C#N)cc2F)c(C)c1 ZINC000004839921 170027302 /nfs/dbraw/zinc/02/73/02/170027302.db2.gz PUEFSRIVGZRPGD-UHFFFAOYSA-N 0 0 268.291 3.567 50 30 CHEARN O=C(/C=C/c1ccco1)c1ccc(OC(F)F)cc1 ZINC000004853679 170030994 /nfs/dbraw/zinc/03/09/94/170030994.db2.gz VLGDMXIASBNSMN-BQYQJAHWSA-N 0 0 264.227 3.777 50 30 CHEARN C[C@H](SC1CCCC1)C(=O)Nc1cccc(C#N)c1 ZINC000004877307 170035598 /nfs/dbraw/zinc/03/55/98/170035598.db2.gz IQIJCABNLWDJGN-NSHDSACASA-N 0 0 274.389 3.561 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCCc2ccccc21 ZINC000004905879 170038854 /nfs/dbraw/zinc/03/88/54/170038854.db2.gz YXPQYTDGBDYSRO-KRWDZBQOSA-N 0 0 293.326 3.956 50 30 CHEARN Cc1nc(Cl)cc(N=NCc2ccccc2Cl)n1 ZINC000004947072 170044029 /nfs/dbraw/zinc/04/40/29/170044029.db2.gz FPWMCYSANWCPAO-VIZOYTHASA-N 0 0 281.146 3.538 50 30 CHEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(Cl)cc2)o1 ZINC000004991611 170051082 /nfs/dbraw/zinc/05/10/82/170051082.db2.gz UWMBLDAYNNJEDF-NTUHNPAUSA-N 0 0 250.641 3.592 50 30 CHEARN Clc1cccc(Cl)c1CN=Nc1nccs1 ZINC000005010198 170055338 /nfs/dbraw/zinc/05/53/38/170055338.db2.gz JRVAKFFUGUGNMW-NSIKDUERSA-N 0 0 272.160 3.896 50 30 CHEARN CCc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1 ZINC000005061587 170062487 /nfs/dbraw/zinc/06/24/87/170062487.db2.gz XHELVCVSNPBDJB-VQHVLOKHSA-N 0 0 271.272 3.646 50 30 CHEARN CCOc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000005073029 170064366 /nfs/dbraw/zinc/06/43/66/170064366.db2.gz RZDQLZHFYWPQGC-YCRREMRBSA-N 0 0 296.322 3.710 50 30 CHEARN Fc1ccccc1/N=C1\NN=C(c2ccccc2)CS1 ZINC000005156912 170071928 /nfs/dbraw/zinc/07/19/28/170071928.db2.gz QTUKEQREUWREAO-UHFFFAOYSA-N 0 0 285.347 3.554 50 30 CHEARN CC1(C)CC(=O)C=C(Nc2cccc3cccnc32)C1 ZINC000005190446 170075240 /nfs/dbraw/zinc/07/52/40/170075240.db2.gz DGKANFBLVWJQKX-UHFFFAOYSA-N 0 0 266.344 3.920 50 30 CHEARN Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(N(C)C)cc1 ZINC000005212271 170076848 /nfs/dbraw/zinc/07/68/48/170076848.db2.gz VMTVFJIESCOLSZ-GZTJUZNOSA-N 0 0 283.331 3.720 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1 ZINC000005217248 170077004 /nfs/dbraw/zinc/07/70/04/170077004.db2.gz IFJLNOXFRRHOQD-KPKJPENVSA-N 0 0 252.313 3.900 50 30 CHEARN O=C1C=C(Nc2ccc(OC(F)(F)F)cc2)CCC1 ZINC000005253437 170080175 /nfs/dbraw/zinc/08/01/75/170080175.db2.gz SIDCZORKYMGDDV-UHFFFAOYSA-N 0 0 271.238 3.634 50 30 CHEARN CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 ZINC000005277268 170082071 /nfs/dbraw/zinc/08/20/71/170082071.db2.gz QVQLMISDLIDBFU-FOWTUZBSSA-N 0 0 269.304 3.739 50 30 CHEARN COc1cccc(/C=N/c2ccc(C)cc2F)c1O ZINC000005288147 170083316 /nfs/dbraw/zinc/08/33/16/170083316.db2.gz ZXQADABNJGLLQH-RQZCQDPDSA-N 0 0 259.280 3.599 50 30 CHEARN CO/N=C/c1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000005353964 170089066 /nfs/dbraw/zinc/08/90/66/170089066.db2.gz QFRULRNYYUAPBA-CXUHLZMHSA-N 0 0 278.764 3.867 50 30 CHEARN Cc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)s1 ZINC000005417672 170096792 /nfs/dbraw/zinc/09/67/92/170096792.db2.gz HIMFCAVCFVMKGB-CMDGGOBGSA-N 0 0 253.326 3.824 50 30 CHEARN N#Cc1ccccc1NC(=O)c1csc2c1CCCC2 ZINC000005488110 170104166 /nfs/dbraw/zinc/10/41/66/170104166.db2.gz CKMWSGJIVVCKRI-UHFFFAOYSA-N 0 0 282.368 3.751 50 30 CHEARN O=C1c2ccccc2CCC/C1=C\c1ccc(O)cc1 ZINC000005518945 170107596 /nfs/dbraw/zinc/10/75/96/170107596.db2.gz OSPHWFZBBXCYSD-NTCAYCPXSA-N 0 0 264.324 3.995 50 30 CHEARN CC1(C)Cc2ccccc2C(N=NC2CCCCC2)=N1 ZINC000005686096 170129097 /nfs/dbraw/zinc/12/90/97/170129097.db2.gz AEIORMHYFYBGDJ-UHFFFAOYSA-N 0 0 269.392 3.678 50 30 CHEARN C=CCNc1nnc(S[C@@H](C)c2ccccc2)s1 ZINC000005782950 170139814 /nfs/dbraw/zinc/13/98/14/170139814.db2.gz APYSLFUWNLYWFQ-JTQLQIEISA-N 0 0 277.418 3.989 50 30 CHEARN C=CCn1c(=S)[nH]nc1-c1cccc2ccccc21 ZINC000005817021 170143162 /nfs/dbraw/zinc/14/31/62/170143162.db2.gz YEQVAAACMIBHGZ-UHFFFAOYSA-N 0 0 267.357 3.947 50 30 CHEARN CCCCNc1ncc2cc3ccccc3nc2c1C#N ZINC000005866983 170148784 /nfs/dbraw/zinc/14/87/84/170148784.db2.gz NLYNCUIXJGINSK-UHFFFAOYSA-N 0 0 276.343 3.867 50 30 CHEARN Cc1cc(C(=O)COc2ccc(C#N)cc2)c(C)n1C1CC1 ZINC000005868632 170149248 /nfs/dbraw/zinc/14/92/48/170149248.db2.gz QKFBKIPBKPRTOC-UHFFFAOYSA-N 0 0 294.354 3.573 50 30 CHEARN Cc1cc(-c2cccs2)c2c(N)c(C#N)sc2n1 ZINC000005894369 170151209 /nfs/dbraw/zinc/15/12/09/170151209.db2.gz PYHWLSGOSWQRTR-UHFFFAOYSA-N 0 0 271.370 3.787 50 30 CHEARN N#Cc1c2c(sc1NC(=O)C1CCCCC1)CCC2 ZINC000006014757 170168533 /nfs/dbraw/zinc/16/85/33/170168533.db2.gz AMJGXCWZABGLSY-UHFFFAOYSA-N 0 0 274.389 3.627 50 30 CHEARN N#C[C@@]1(c2nc3ccccc3[nH]2)C[C@H]1c1cccs1 ZINC000006188406 170181780 /nfs/dbraw/zinc/18/17/80/170181780.db2.gz AHDAPILDWDOCPV-BONVTDFDSA-N 0 0 265.341 3.573 50 30 CHEARN COc1ccc(C)cc1Nc1nc(C)cc(C)c1C#N ZINC000006233512 170184377 /nfs/dbraw/zinc/18/43/77/170184377.db2.gz MJBQJOMVOUYADS-UHFFFAOYSA-N 0 0 267.332 3.631 50 30 CHEARN CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000006262381 170186361 /nfs/dbraw/zinc/18/63/61/170186361.db2.gz JCMYVRFQUCIIGI-OAHLLOKOSA-N 0 0 284.746 3.954 50 30 CHEARN O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1cccnc1 ZINC000006276610 170187750 /nfs/dbraw/zinc/18/77/50/170187750.db2.gz WFPQWUZDCOPHLE-JYRVWZFOSA-N 0 0 299.330 3.953 50 30 CHEARN C[C@H](NC(=O)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000006335665 170193272 /nfs/dbraw/zinc/19/32/72/170193272.db2.gz ORNARBISNYAZDH-NSHDSACASA-N 0 0 284.746 3.703 50 30 CHEARN CC(=CC(=O)c1ccccc1)Nc1ccccc1O ZINC000006492611 170206797 /nfs/dbraw/zinc/20/67/97/170206797.db2.gz ZIIGWJIVVIJZMO-VAWYXSNFSA-N 0 0 253.301 3.591 50 30 CHEARN C=CCn1c2ccccc2nc1COc1cccc(OC)c1 ZINC000006753110 170240803 /nfs/dbraw/zinc/24/08/03/170240803.db2.gz PWJBTYNZGMGLEW-UHFFFAOYSA-N 0 0 294.354 3.810 50 30 CHEARN COc1cc2c(c(C)c1)C(=O)/C(=C/c1ccc(F)cc1)O2 ZINC000006760225 170241507 /nfs/dbraw/zinc/24/15/07/170241507.db2.gz BUKLLJDUPJFFNX-NVNXTCNLSA-N 0 0 284.286 3.759 50 30 biogenic CHEARN S=C(NCc1ccccc1)NN=C1CCCCCCC1 ZINC000007013383 170262421 /nfs/dbraw/zinc/26/24/21/170262421.db2.gz QEIXTDOAHLYDKL-UHFFFAOYSA-N 0 0 289.448 3.751 50 30 CHEARN Cn1c2ccccc2nc1SCc1cccc(C#N)c1 ZINC000007343486 170277793 /nfs/dbraw/zinc/27/77/93/170277793.db2.gz GJILLVSPYOUBDO-UHFFFAOYSA-N 0 0 279.368 3.737 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1O ZINC000008322589 170330882 /nfs/dbraw/zinc/33/08/82/170330882.db2.gz KGNFRDQFMKQZFW-VMPITWQZSA-N 0 0 282.339 3.914 50 30 CHEARN CC[C@H](C)Nc1oc(/C=C/c2cccc(OC)c2)nc1C#N ZINC000008326815 170331295 /nfs/dbraw/zinc/33/12/95/170331295.db2.gz CLOGGAIKDLJZDY-BCPZQOPPSA-N 0 0 297.358 3.936 50 30 CHEARN CCCc1nc2ccccc2n1Cc1ccc(C#N)cc1 ZINC000008389239 170334612 /nfs/dbraw/zinc/33/46/12/170334612.db2.gz GAWUEHRFKQLFNV-UHFFFAOYSA-N 0 0 275.355 3.909 50 30 CHEARN CCCCCCCc1[nH]c2ccccc2c(=O)c1O ZINC000008436860 170336601 /nfs/dbraw/zinc/33/66/01/170336601.db2.gz CEIUIHOQDSVZJQ-UHFFFAOYSA-N 0 0 259.349 3.747 50 30 in-vitro CHEARN C[C@@H](C#N)OC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000008546225 170339518 /nfs/dbraw/zinc/33/95/18/170339518.db2.gz WMQBERMHPRFPKU-VIFPVBQESA-N 0 0 275.691 3.669 50 30 CHEARN C[C@H](C#N)OC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000008546226 170339615 /nfs/dbraw/zinc/33/96/15/170339615.db2.gz WMQBERMHPRFPKU-SECBINFHSA-N 0 0 275.691 3.669 50 30 CHEARN C=CCn1c(=S)[nH]nc1-c1ccc2[nH]c(C)c(C)c2c1 ZINC000008578825 170341267 /nfs/dbraw/zinc/34/12/67/170341267.db2.gz UVDNXJZOYWXFEU-UHFFFAOYSA-N 0 0 284.388 3.892 50 30 CHEARN Cc1nc2ccccc2c(O)c1C(=O)C=Cc1ccccc1 ZINC000009046080 170362091 /nfs/dbraw/zinc/36/20/91/170362091.db2.gz GLMXCYNQAMJMGO-VAWYXSNFSA-N 0 0 289.334 3.733 50 30 biogenic CHEARN CC(=O)/C(=C/c1ccc(F)cc1)C(=O)c1ccc(C)cc1 ZINC000009114664 170363951 /nfs/dbraw/zinc/36/39/51/170363951.db2.gz LZCXHZYUAZHHTN-BOPFTXTBSA-N 0 0 282.314 3.989 50 30 CHEARN Cc1cccc(C)c1NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000009254694 170368805 /nfs/dbraw/zinc/36/88/05/170368805.db2.gz ZLOQLUDUUCJBMM-ZHACJKMWSA-N 0 0 276.339 3.827 50 30 CHEARN N#Cc1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1 ZINC000009313702 170371025 /nfs/dbraw/zinc/37/10/25/170371025.db2.gz ZJPFUDJYNLBRKH-XBXARRHUSA-N 0 0 269.250 3.733 50 30 CHEARN N#CCCCSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000009315145 170371448 /nfs/dbraw/zinc/37/14/48/170371448.db2.gz LUXDWZQUOSLSJW-UHFFFAOYSA-N 0 0 279.752 3.786 50 30 CHEARN CCOc1ccc2c(c1)O/C(=C\c1cccs1)C2=O ZINC000009575264 170381602 /nfs/dbraw/zinc/38/16/02/170381602.db2.gz YGIOUBFZONVATG-ZROIWOOFSA-N 0 0 272.325 3.763 50 30 CHEARN C=CCNC(=O)N[C@@H](c1ccccc1)c1ccc(C)c(C)c1 ZINC000012982851 170525133 /nfs/dbraw/zinc/52/51/33/170525133.db2.gz MYHXOTWEYIQSPB-SFHVURJKSA-N 0 0 294.398 3.878 50 30 CHEARN COc1ccc(-n2cc(C#N)c3c2nc(C)cc3C)cc1 ZINC000013283857 170542077 /nfs/dbraw/zinc/54/20/77/170542077.db2.gz WGFNBQKYVGVQGF-UHFFFAOYSA-N 0 0 277.327 3.523 50 30 CHEARN Cc1nc(C)c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1 ZINC000016737391 170710644 /nfs/dbraw/zinc/71/06/44/170710644.db2.gz DKGXGOQIXVMMEL-VMPITWQZSA-N 0 0 288.328 3.564 50 30 CHEARN N#Cc1c(N)nc2c(c1-c1ccsc1)CCCCCC2 ZINC000019536443 170827098 /nfs/dbraw/zinc/82/70/98/170827098.db2.gz BAPJHBMTIXQNTL-UHFFFAOYSA-N 0 0 283.400 3.923 50 30 CHEARN CC(C)c1nc(NC[C@@H]2CCCO2)c(C#N)c2c1CCCC2 ZINC000020573192 171255745 /nfs/dbraw/zinc/25/57/45/171255745.db2.gz NYKADQLVJNYZNH-ZDUSSCGKSA-N 0 0 299.418 3.546 50 30 CHEARN C/C(=N\O)c1ccc(OCc2ccc(C)cc2)cc1 ZINC000021801778 171326135 /nfs/dbraw/zinc/32/61/35/171326135.db2.gz VUPMGBCXJDFDLS-GHRIWEEISA-N 0 0 255.317 3.772 50 30 CHEARN C#Cc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000022761082 171397802 /nfs/dbraw/zinc/39/78/02/171397802.db2.gz ZXCZFKBAGCBRRL-UHFFFAOYSA-N 0 0 289.256 3.939 50 30 CHEARN CC(C)[C@@H](Nc1ncccc1C#N)c1ccc(F)cc1 ZINC000032907694 171760435 /nfs/dbraw/zinc/76/04/35/171760435.db2.gz ISBMXGJORQLPGJ-OAHLLOKOSA-N 0 0 269.323 3.902 50 30 CHEARN C[C@@H](Nc1nc2ccccc2o1)c1ccc(C#N)cc1 ZINC000032923541 171762680 /nfs/dbraw/zinc/76/26/80/171762680.db2.gz YVWAUPAVMZSVPV-LLVKDONJSA-N 0 0 263.300 3.873 50 30 CHEARN COc1cc(/C=C\C(=O)c2ccccc2F)cc(OC)c1 ZINC000038150585 174134681 /nfs/dbraw/zinc/13/46/81/174134681.db2.gz HTHTYBSSRYBPAE-FPLPWBNLSA-N 0 0 286.302 3.739 50 30 CHEARN C=CCOc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000040068020 174186440 /nfs/dbraw/zinc/18/64/40/174186440.db2.gz SPJJUAOEFGWCTG-CQSZACIVSA-N 0 0 281.355 3.742 50 30 CHEARN Cc1cc([C@@H](C)NC(=O)c2cccc(C#N)c2)c(C)s1 ZINC000040074257 174186679 /nfs/dbraw/zinc/18/66/79/174186679.db2.gz RQBWDAYMXGSXNX-LLVKDONJSA-N 0 0 284.384 3.728 50 30 CHEARN O=C(/C=C/c1cccc2c1OCO2)c1cccc(Cl)c1 ZINC000040139551 174194076 /nfs/dbraw/zinc/19/40/76/174194076.db2.gz YMEANYUHWRSKDX-BQYQJAHWSA-N 0 0 286.714 3.965 50 30 CHEARN C=CCn1c(C)nnc1SCc1ccc(Cl)s1 ZINC000040159090 174195537 /nfs/dbraw/zinc/19/55/37/174195537.db2.gz MGVUAAGRNUOSDH-UHFFFAOYSA-N 0 0 285.825 3.780 50 30 CHEARN CCN(C[C@H](C)C#N)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000042295975 174676602 /nfs/dbraw/zinc/67/66/02/174676602.db2.gz AOMXJUOQDKJGFH-SECBINFHSA-N 0 0 285.174 3.615 50 30 CHEARN C=C(C)CN(CC)C(=O)C1(c2cccc(F)c2)CCC1 ZINC000042706254 174848810 /nfs/dbraw/zinc/84/88/10/174848810.db2.gz XHUMVAGSDFKBIG-UHFFFAOYSA-N 0 0 275.367 3.672 50 30 CHEARN CCOC(=O)C(C#N)(Cc1ccccc1)Cc1ccccc1 ZINC000044125858 175144096 /nfs/dbraw/zinc/14/40/96/175144096.db2.gz XJUHCRXGEPHJDK-UHFFFAOYSA-N 0 0 293.366 3.545 50 30 CHEARN COc1ccc(Nc2c(C#N)cnc3ccc(F)cc32)cc1 ZINC000064438651 175691344 /nfs/dbraw/zinc/69/13/44/175691344.db2.gz NACRILRAEGDVLE-UHFFFAOYSA-N 0 0 293.301 3.998 50 30 CHEARN N#Cc1ccc(-c2nccn2CCOc2ccccc2)cc1 ZINC000071415696 176160576 /nfs/dbraw/zinc/16/05/76/176160576.db2.gz DUPWQOLQWSAVHH-UHFFFAOYSA-N 0 0 289.338 3.501 50 30 CHEARN N#Cc1ccccc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000071795753 176264690 /nfs/dbraw/zinc/26/46/90/176264690.db2.gz GYLVGAPYYLAQIK-JQWIXIFHSA-N 0 0 296.292 3.865 50 30 CHEARN N#Cc1ccccc1-c1nccn1-c1cccc2cccnc21 ZINC000072158161 176329586 /nfs/dbraw/zinc/32/95/86/176329586.db2.gz XMTRZAKUJYWPLF-UHFFFAOYSA-N 0 0 296.333 3.959 50 30 CHEARN Cc1ccccc1-c1nc(C#N)c(NCc2cccnc2)o1 ZINC000072238491 176347124 /nfs/dbraw/zinc/34/71/24/176347124.db2.gz DVIIYAZMIICPFD-UHFFFAOYSA-N 0 0 290.326 3.529 50 30 CHEARN N#Cc1cccc(C(=O)N2CCC(c3cccs3)CC2)c1 ZINC000075157010 176668339 /nfs/dbraw/zinc/66/83/39/176668339.db2.gz NXBOSHHUGXGOLA-UHFFFAOYSA-N 0 0 296.395 3.640 50 30 CHEARN COc1cccc(C(=O)C[C@H](C#N)c2ccc(F)cc2)c1 ZINC000001397590 260004292 /nfs/dbraw/zinc/00/42/92/260004292.db2.gz MQOVNIPNHHLRQI-CQSZACIVSA-N 0 0 283.302 3.714 50 30 CHEARN O=C1C=C(NCCc2cccs2)C[C@H](c2ccco2)C1 ZINC000009356332 260035882 /nfs/dbraw/zinc/03/58/82/260035882.db2.gz HZYAUSDKEHEUBU-LBPRGKRZSA-N 0 0 287.384 3.504 50 30 CHEARN CC(C)(C#N)CC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000330701463 264017439 /nfs/dbraw/zinc/01/74/39/264017439.db2.gz HRCISPJVAYLZPQ-SJORKVTESA-N 0 0 298.430 3.844 50 30 CHEARN Cc1cnc([C@H](C)NC(=O)c2ccc(C(C)C)nc2)o1 ZINC000330702923 264017668 /nfs/dbraw/zinc/01/76/68/264017668.db2.gz INUCGAYZUDERED-NSHDSACASA-N 0 0 273.336 3.567 50 30 CHEARN N#C[C@@H](c1ccc(F)cc1)c1cccc(C(F)(F)F)n1 ZINC000095872307 327965389 /nfs/dbraw/zinc/96/53/89/327965389.db2.gz DXQNDKQUHKVTTC-NSHDSACASA-N 0 0 280.224 3.895 50 30 in-vitro CHEARN Cc1noc(C)c1NC(=O)c1csc(CC(C)C)n1 ZINC000330494462 328462138 /nfs/dbraw/zinc/46/21/38/328462138.db2.gz UYNDBNUFSGFLIC-UHFFFAOYSA-N 0 0 279.365 3.583 50 30 CHEARN CC1=C2C(=O)C(OC(C)C)=C(OC(C)C)[C@]2(C)CC1 ZINC000071786692 328754909 /nfs/dbraw/zinc/75/49/09/328754909.db2.gz YJOSWXMHOVHTCI-MLGOLLRUSA-N 0 0 264.365 3.603 50 30 CHEARN N#CC[C@H]1C[C@H]2[C@H]3C[C@@H](CC#N)[C@H]4[C@@H]5C=C[C@@H]6[C@H]5[C@H]([C@@H]34)[C@@H]2[C@H]16 ZINC000253614278 328757562 /nfs/dbraw/zinc/75/75/62/328757562.db2.gz OGHCMZRVEOKIBU-PIIMPBTMSA-N 0 0 290.410 3.626 50 30 CHEARN Cc1cc(Cl)cc2nc(S[C@@H](C)C#N)oc21 ZINC000117118097 533772764 /nfs/dbraw/zinc/77/27/64/533772764.db2.gz HTNCUIYHQYHHMK-ZETCQYMHSA-N 0 0 252.726 3.794 50 30 CHEARN O=C(Nc1nnc(C2CCC2)[nH]1)c1ccc2c(c1)CCC=C2 ZINC000329113044 534333324 /nfs/dbraw/zinc/33/33/24/534333324.db2.gz RREVCHFOJXGRGG-UHFFFAOYSA-N 0 0 294.358 3.668 50 30 CHEARN C=C(C)COc1cccc(C(=O)NCCc2ccccc2)c1 ZINC000006746734 518619832 /nfs/dbraw/zinc/61/98/32/518619832.db2.gz VJENXNFKFOOESV-UHFFFAOYSA-N 0 0 295.382 3.614 50 30 CHEARN C=CCCC(=O)N1CCC[C@H](CCc2cccc(F)c2)C1 ZINC000012595323 518691636 /nfs/dbraw/zinc/69/16/36/518691636.db2.gz XIDIBDPTTXWWPH-MRXNPFEDSA-N 0 0 289.394 3.963 50 30 CHEARN C=CC[N@@H+]([C@@H](C(=O)[O-])c1ccc(F)c(C)c1)C1CCCC1 ZINC000067934753 518800375 /nfs/dbraw/zinc/80/03/75/518800375.db2.gz VNGQUFZSPPJBLY-MRXNPFEDSA-N 0 0 291.366 3.690 50 30 CHEARN C=CCO[C@H](C)C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000071910823 518999516 /nfs/dbraw/zinc/99/95/16/518999516.db2.gz JPSOVUFBWSTJGA-CYBMUJFWSA-N 0 0 288.391 3.571 50 30 CHEARN CCc1nnc(NC(=O)CSCc2cccs2)s1 ZINC000006791894 522720440 /nfs/dbraw/zinc/72/04/40/522720440.db2.gz BIOGAMPWYJTWEM-UHFFFAOYSA-N 0 0 299.446 3.683 50 30 CHEARN CCc1ccc(-c2nc(NC(=O)CC#N)sc2C)cc1 ZINC000072333508 523861078 /nfs/dbraw/zinc/86/10/78/523861078.db2.gz SHQZYUMJOREJNB-UHFFFAOYSA-N 0 0 285.372 3.533 50 30 CHEARN CCc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1 ZINC000046440850 523897651 /nfs/dbraw/zinc/89/76/51/523897651.db2.gz OIPOUDMEWPLZHF-CQSZACIVSA-N 0 0 289.338 3.615 50 30 CHEARN CCc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 ZINC000046440852 523899255 /nfs/dbraw/zinc/89/92/55/523899255.db2.gz OIPOUDMEWPLZHF-AWEZNQCLSA-N 0 0 289.338 3.615 50 30 CHEARN CN(C(=O)c1cccc(Cl)c1Cl)C1(C#N)CCC1 ZINC000069452956 523943512 /nfs/dbraw/zinc/94/35/12/523943512.db2.gz DMKPLBZAGMGTKT-UHFFFAOYSA-N 0 0 283.158 3.512 50 30 CHEARN Cc1ccc(NC(=O)N(CCC#N)Cc2ccccc2)cc1 ZINC000004325148 525115133 /nfs/dbraw/zinc/11/51/33/525115133.db2.gz ZENHEBYYCOUDNX-UHFFFAOYSA-N 0 0 293.370 3.943 50 30 CHEARN CC#CC1(OC(C)=O)CCC(c2ccccc2)CC1 ZINC000000343735 526288266 /nfs/dbraw/zinc/28/82/66/526288266.db2.gz LGVMOLAOFJEAFW-UHFFFAOYSA-N 0 0 256.345 3.669 50 30 CHEARN O=C(/C=C/c1ccccc1OC(F)F)c1ccc(O)cc1 ZINC000005128086 527637185 /nfs/dbraw/zinc/63/71/85/527637185.db2.gz LTRTUNXINRJKRW-JXMROGBWSA-N 0 0 290.265 3.890 50 30 CHEARN CC(C)c1cccc(CNC(=O)N2CCC(C)(C#N)CC2)c1 ZINC000334877400 528167483 /nfs/dbraw/zinc/16/74/83/528167483.db2.gz LGLQYJLETOVNHM-UHFFFAOYSA-N 0 0 299.418 3.645 50 30 CHEARN CCOc1cc(/C=C2/Cc3ccccc3C2=O)ccc1O ZINC000097993019 528194826 /nfs/dbraw/zinc/19/48/26/528194826.db2.gz YSGVTMKATOAQRX-ZROIWOOFSA-N 0 0 280.323 3.613 50 30 CHEARN CCOc1cccc(/C=C2/Cc3ccccc3C2=O)c1 ZINC000098008548 528625425 /nfs/dbraw/zinc/62/54/25/528625425.db2.gz XWZKNNJIDDZPRF-GDNBJRDFSA-N 0 0 264.324 3.908 50 30 CHEARN CCOc1cccc(/C=N/c2cc(CC)ccc2O)c1O ZINC000000433336 528627921 /nfs/dbraw/zinc/62/79/21/528627921.db2.gz RHIBZKSIYPMBQN-WOJGMQOQSA-N 0 0 285.343 3.810 50 30 CHEARN CCc1ccc([C@H]2CCCCN2CC2(C#N)CC2)o1 ZINC000095452712 567914919 /nfs/dbraw/zinc/91/49/19/567914919.db2.gz WXAOWGFVKOGBFP-CQSZACIVSA-N 0 0 258.365 3.673 50 30 CHEARN N#Cc1c(N)n(-c2cc(F)cc(F)c2)cc1-c1ccccc1 ZINC000015107146 566832949 /nfs/dbraw/zinc/83/29/49/566832949.db2.gz UMCXZCFQNSEOAQ-UHFFFAOYSA-N 0 0 295.292 3.876 50 30 CHEARN N#Cc1c(N)n(-c2ccc(F)cc2F)cc1-c1ccccc1 ZINC000015108228 566833608 /nfs/dbraw/zinc/83/36/08/566833608.db2.gz VYWPBQOVKZSQDP-UHFFFAOYSA-N 0 0 295.292 3.876 50 30 CHEARN N#Cc1ccc(N[C@@H](c2ccccc2)c2ccccn2)nc1 ZINC000012740672 566873983 /nfs/dbraw/zinc/87/39/83/566873983.db2.gz YXOUWIQPXHKFQH-SFHVURJKSA-N 0 0 286.338 3.550 50 30 CHEARN C=CCOc1cc2oc(=O)c(CC)c(C)c2cc1CC ZINC000002180709 566902602 /nfs/dbraw/zinc/90/26/02/566902602.db2.gz KBWFIFIRLOYWNT-UHFFFAOYSA-N 0 0 272.344 3.791 50 30 CHEARN COc1ccc(C[C@@H](C#N)c2ccc(OC)cc2)cc1 ZINC000004582734 566911564 /nfs/dbraw/zinc/91/15/64/566911564.db2.gz WXTLYNYQEYBSHU-HNNXBMFYSA-N 0 0 267.328 3.554 50 30 CHEARN C1=C[C@H]2C[C@]3(O[C@@]34C[C@H]3C=C[C@@H]5C=C[C@H]4[C@H]53)[C@@H]3C=C[C@@H]1[C@@H]23 ZINC000257355391 566924292 /nfs/dbraw/zinc/92/42/92/566924292.db2.gz ALTBPBKUUKCVED-MCVKZXDUSA-N 0 0 276.379 3.510 50 30 CHEARN COc1ccc(-n2c3ccccc3nc2SCC#N)cc1 ZINC000015979495 566931918 /nfs/dbraw/zinc/93/19/18/566931918.db2.gz XKNRRISAIPAMNZ-UHFFFAOYSA-N 0 0 295.367 3.650 50 30 CHEARN C=C(C)CN(c1cnn(C)c1)[C@H](C)c1cccc(OC)c1 ZINC000075094048 566936041 /nfs/dbraw/zinc/93/60/41/566936041.db2.gz YAZKJWLRZYLLNR-CQSZACIVSA-N 0 0 285.391 3.572 50 30 CHEARN C=C(C)[C@H]1CC=C(C)C(=NNC(=O)c2ccccc2)C1 ZINC000000112558 566945657 /nfs/dbraw/zinc/94/56/57/566945657.db2.gz YWFCZXRNYVBTRY-HNNXBMFYSA-N 0 0 268.360 3.705 50 30 CHEARN CCCC(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066545454 566948644 /nfs/dbraw/zinc/94/86/44/566948644.db2.gz TUGYGJHYZSDKBA-ZDUSSCGKSA-N 0 0 295.367 3.658 50 30 CHEARN N#Cc1cc(C(F)(F)F)cc2c(Br)c[nH]c21 ZINC000052507635 566960867 /nfs/dbraw/zinc/96/08/67/566960867.db2.gz FAPOKMAAFSGWTL-UHFFFAOYSA-N 0 0 289.054 3.821 50 30 CHEARN CC(C)C(Cl)=NOC(=O)Nc1ccccc1F ZINC000239248121 566965736 /nfs/dbraw/zinc/96/57/36/566965736.db2.gz YCDALHLZEUKJJQ-UHFFFAOYSA-N 0 0 258.680 3.583 50 30 CHEARN N#Cc1ccccc1CN1CCSc2ccccc21 ZINC000007355531 567009774 /nfs/dbraw/zinc/00/97/74/567009774.db2.gz GQKZJKGKJRVDNE-UHFFFAOYSA-N 0 0 266.369 3.671 50 30 CHEARN CC(C)c1ccc(C[C@@H](C)Nc2ccc(C#N)nn2)cc1 ZINC000170591311 567012821 /nfs/dbraw/zinc/01/28/21/567012821.db2.gz ZYVPTYMJSXSQRM-CYBMUJFWSA-N 0 0 280.375 3.515 50 30 CHEARN CC1CCC(=CC(=O)N[C@@]2(C#N)CCC[C@H](C)C2)CC1 ZINC000170629587 567015482 /nfs/dbraw/zinc/01/54/82/567015482.db2.gz CCXLDFWXFCXZPN-HUUYTVAOSA-N 0 0 274.408 3.712 50 30 CHEARN Cc1cc(C)cc(N=Cc2cccc([N+](=O)[O-])c2)c1 ZINC000252459918 567052418 /nfs/dbraw/zinc/05/24/18/567052418.db2.gz AFNLDUXLVSDGIC-UHFFFAOYSA-N 0 0 254.289 3.962 50 30 CHEARN NC(=O)c1cccc(N=Cc2ccc(Cl)cc2Cl)c1 ZINC000252462392 567052576 /nfs/dbraw/zinc/05/25/76/567052576.db2.gz RYMIUFHWKHIODF-UHFFFAOYSA-N 0 0 293.153 3.843 50 30 CHEARN COc1ccc([N+](=O)[O-])cc1N=Cc1c[nH]c2ccccc12 ZINC000252462514 567052622 /nfs/dbraw/zinc/05/26/22/567052622.db2.gz SZSFSJVTPMQDIE-UHFFFAOYSA-N 0 0 295.298 3.835 50 30 CHEARN CC1(C)C[C@H](O)c2cc(N[C@@H]3CCC[C@@H](C#N)C3)ccc21 ZINC000252498832 567059520 /nfs/dbraw/zinc/05/95/20/567059520.db2.gz RNBKJNTXQNBLLB-XNJGSVPQSA-N 0 0 284.403 3.896 50 30 CHEARN CCCCCCCC(C)=NN1C(=O)CSC1=S ZINC000252510859 567061373 /nfs/dbraw/zinc/06/13/73/567061373.db2.gz CHJBLZPMIAYHAY-UHFFFAOYSA-N 0 0 272.439 3.583 50 30 CHEARN C#CCOc1ccccc1NC(=O)c1ccccc1SC ZINC000194385318 567064264 /nfs/dbraw/zinc/06/42/64/567064264.db2.gz MYGXIQCVZFFWEU-UHFFFAOYSA-N 0 0 297.379 3.673 50 30 CHEARN COc1ccc(C(=O)C=CNc2ccc(O)cc2)cc1 ZINC000252593849 567065954 /nfs/dbraw/zinc/06/59/54/567065954.db2.gz BNDBEQBUCWHGMF-KBKMDESFSA-N 0 0 269.300 3.702 50 30 CHEARN CC1(C)CC(=O)C=C(Nc2ccc3c(c2)OCCO3)C1 ZINC000252594298 567066328 /nfs/dbraw/zinc/06/63/28/567066328.db2.gz BQLNUAJFVDSAJK-UHFFFAOYSA-N 0 0 273.332 3.792 50 30 CHEARN Cc1ccc(NN=C2CCCCC2=O)cc1Cl ZINC000252622512 567068140 /nfs/dbraw/zinc/06/81/40/567068140.db2.gz NWYVZVJYGJGBBX-UHFFFAOYSA-N 0 0 250.729 3.559 50 30 CHEARN CC(C)(C)NC(=O)c1ccc(N=Cc2cccc(O)c2)cc1 ZINC000252626617 567069912 /nfs/dbraw/zinc/06/99/12/567069912.db2.gz RCFGKDJEKYMBGI-UHFFFAOYSA-N 0 0 296.370 3.671 50 30 CHEARN CCCCCCCC(=O)Nc1cccc(C(=O)OC)c1 ZINC000003182818 567073536 /nfs/dbraw/zinc/07/35/36/567073536.db2.gz LHOMUIINFKMULD-UHFFFAOYSA-N 0 0 277.364 3.772 50 30 biogenic CHEARN CCOC(=O)C(CC)(CC)C(=O)/C=C/c1ccccc1 ZINC000002240748 567074085 /nfs/dbraw/zinc/07/40/85/567074085.db2.gz MWVDGJSSOLDXMS-OUKQBFOZSA-N 0 0 274.360 3.638 50 30 CHEARN Cc1ccc(C(=O)Nc2ccc(C#N)cc2)c(Cl)c1 ZINC000000457874 567103273 /nfs/dbraw/zinc/10/32/73/567103273.db2.gz FMESBQMPIIAQFM-UHFFFAOYSA-N 0 0 270.719 3.772 50 30 CHEARN CCCc1nc(N)c(C#N)c(-c2ccc(F)cc2)c1CC ZINC000018105736 567106937 /nfs/dbraw/zinc/10/69/37/567106937.db2.gz NQHVDYSDALLSMI-UHFFFAOYSA-N 0 0 283.350 3.856 50 30 CHEARN N#Cc1cc2c([nH]c1=S)CC[C@H](c1ccccc1)C2 ZINC000068812748 567112864 /nfs/dbraw/zinc/11/28/64/567112864.db2.gz HYCRABJLNHOJTQ-LBPRGKRZSA-N 0 0 266.369 3.514 50 30 CHEARN C=CC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000328598719 567118328 /nfs/dbraw/zinc/11/83/28/567118328.db2.gz NXKLVWWVOHDWTG-LBPRGKRZSA-N 0 0 295.342 3.921 50 30 CHEARN N#Cc1ccccc1CNc1ccc(F)c(F)c1F ZINC000020044849 567125989 /nfs/dbraw/zinc/12/59/89/567125989.db2.gz RPEKKIZZFZXCSJ-UHFFFAOYSA-N 0 0 262.234 3.588 50 30 CHEARN Cc1ccc(Oc2ncccc2C#N)c(Br)c1 ZINC000020077852 567126784 /nfs/dbraw/zinc/12/67/84/567126784.db2.gz OSUWSVFZDVOKPM-UHFFFAOYSA-N 0 0 289.132 3.817 50 30 CHEARN N#Cc1c(Br)cccc1OCc1ccccc1 ZINC000095495725 567136655 /nfs/dbraw/zinc/13/66/55/567136655.db2.gz QBZNMDIDJAEKDF-UHFFFAOYSA-N 0 0 288.144 3.900 50 30 CHEARN Cc1nnc(-c2ccccc2-c2ccccc2C#N)o1 ZINC000096179778 567138660 /nfs/dbraw/zinc/13/86/60/567138660.db2.gz FNBPPVPFTKXVHC-UHFFFAOYSA-N 0 0 261.284 3.584 50 30 CHEARN COc1ccc(NC(=O)N[C@H](C)C2=CCCCC2)cc1C#N ZINC000096153533 567138600 /nfs/dbraw/zinc/13/86/00/567138600.db2.gz UQGHKWXWZZETJR-GFCCVEGCSA-N 0 0 299.374 3.577 50 30 CHEARN Cc1cc(C)c(C#N)c(SCc2nc3ccccc3[nH]2)n1 ZINC000002503649 567146119 /nfs/dbraw/zinc/14/61/19/567146119.db2.gz WPJVQVKEGZOOOJ-UHFFFAOYSA-N 0 0 294.383 3.739 50 30 CHEARN COC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000002752854 567152322 /nfs/dbraw/zinc/15/23/22/567152322.db2.gz KBXUSWAHZUYCAW-VIFPVBQESA-N 0 0 292.404 3.949 50 30 CHEARN CCOc1cc(C#N)ccc1OCc1ccccc1C ZINC000002874499 567153421 /nfs/dbraw/zinc/15/34/21/567153421.db2.gz LHOJALSCHRRYEN-UHFFFAOYSA-N 0 0 267.328 3.844 50 30 CHEARN COc1ccc([C@@H](C)/N=C/c2ccccc2O)cc1OC ZINC000057411814 567155464 /nfs/dbraw/zinc/15/54/64/567155464.db2.gz KICWJLCCKPSPAG-MBNTZHJCSA-N 0 0 285.343 3.590 50 30 CHEARN C=C(C)CSc1nnc2sc3ccccc3n12 ZINC000057745319 567163674 /nfs/dbraw/zinc/16/36/74/567163674.db2.gz UUSVRAAGTNLDJM-UHFFFAOYSA-N 0 0 261.375 3.612 50 30 CHEARN N#CCSc1ncnc2sc(-c3ccccc3)cc21 ZINC000003235080 567164553 /nfs/dbraw/zinc/16/45/53/567164553.db2.gz XELZFARMADTEOE-UHFFFAOYSA-N 0 0 283.381 3.974 50 30 CHEARN N#CCSc1nn(-c2ccc(Cl)cc2)c(=S)s1 ZINC000003407048 567171751 /nfs/dbraw/zinc/17/17/51/567171751.db2.gz KTKNTKWJYUHIOQ-UHFFFAOYSA-N 0 0 299.833 3.932 50 30 CHEARN CSCc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000003534008 567175615 /nfs/dbraw/zinc/17/56/15/567175615.db2.gz IYAJCXXXQRXPPK-UHFFFAOYSA-N 0 0 282.368 3.674 50 30 CHEARN Cc1nc(Oc2cccc(N)c2)c(C#N)c(C)c1Cl ZINC000004037187 567185780 /nfs/dbraw/zinc/18/57/80/567185780.db2.gz UDJQUJFOPYMYQT-UHFFFAOYSA-N 0 0 273.723 3.598 50 30 CHEARN Fc1ccccc1C=NNc1ccc(C(F)(F)F)cn1 ZINC000004181482 567189308 /nfs/dbraw/zinc/18/93/08/567189308.db2.gz PKDURMJSJSXSSW-FBCYGCLPSA-N 0 0 283.228 3.686 50 30 CHEARN CC(C)(C)c1ccc(/C=C2\C(=O)C3CCN2CC3)cc1 ZINC000032459149 567192525 /nfs/dbraw/zinc/19/25/25/567192525.db2.gz FKNRNAOCQXKYEJ-FOWTUZBSSA-N 0 0 269.388 3.620 50 30 CHEARN Cc1ccsc1C=C1C(=O)c2ccccc2C1=O ZINC000000122067 567819199 /nfs/dbraw/zinc/81/91/99/567819199.db2.gz DGJMRTAIJBODEK-UHFFFAOYSA-N 0 0 254.310 3.519 50 30 CHEARN Oc1ccc(/N=C/c2cc(Br)ccc2O)cc1 ZINC000000046450 567816983 /nfs/dbraw/zinc/81/69/83/567816983.db2.gz QHMNVRRNBMWXMQ-OVCLIPMQSA-N 0 0 292.132 3.611 50 30 CHEARN COc1ccc(/N=C/c2cccc(OC)c2O)cc1Cl ZINC000000058407 567817488 /nfs/dbraw/zinc/81/74/88/567817488.db2.gz PRLKHHWLDYCDKB-RQZCQDPDSA-N 0 0 291.734 3.813 50 30 CHEARN N#Cc1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000000096179 567817987 /nfs/dbraw/zinc/81/79/87/567817987.db2.gz JPRNTWAQXARPTL-RQZCQDPDSA-N 0 0 285.690 3.870 50 30 CHEARN CCOc1ccc(/C=N/c2ccc(C(=O)OC)cc2)cc1 ZINC000000095906 567818002 /nfs/dbraw/zinc/81/80/02/567818002.db2.gz DLXQCCWPMBWLQI-LDADJPATSA-N 0 0 283.327 3.623 50 30 CHEARN COc1ccc(/C=C2\CCc3cc(OC)ccc3C2=O)cc1 ZINC000000092280 567818059 /nfs/dbraw/zinc/81/80/59/567818059.db2.gz KZEFPCJXJJHUOS-RVDMUPIBSA-N 0 0 294.350 3.916 50 30 biogenic CHEARN COc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(C)s1 ZINC000000095785 567818080 /nfs/dbraw/zinc/81/80/80/567818080.db2.gz RWERSXFWMABESE-RIYZIHGNSA-N 0 0 276.317 3.724 50 30 CHEARN CC1=NN=C(C)C1=NNc1cc(Cl)cc(Cl)c1 ZINC000000166183 567820947 /nfs/dbraw/zinc/82/09/47/567820947.db2.gz LJRJMTADSIMOLV-UHFFFAOYSA-N 0 0 269.135 3.612 50 30 CHEARN C(=N/N=C1c2ccccc2-c2ccccc21)\c1cccnc1 ZINC000000251616 567823368 /nfs/dbraw/zinc/82/33/68/567823368.db2.gz SHDAOTAETWZKIH-FYJGNVAPSA-N 0 0 283.334 3.934 50 30 CHEARN C[C@@H](c1ccccc1)N1CCC(=O)C2=C1CCCC2 ZINC000000296752 567824184 /nfs/dbraw/zinc/82/41/84/567824184.db2.gz ZNQDXRWCJGAABK-ZDUSSCGKSA-N 0 0 255.361 3.851 50 30 CHEARN CC(C)N=Nc1nc(Cl)c(C#N)c(Cl)c1Cl ZINC000000296521 567824301 /nfs/dbraw/zinc/82/43/01/567824301.db2.gz DQOPLAKSLPWWBL-UHFFFAOYSA-N 0 0 277.542 3.721 50 30 CHEARN N#C[C@@H](c1ccccc1)c1ccc(-c2ccccc2)nn1 ZINC000000344015 567826001 /nfs/dbraw/zinc/82/60/01/567826001.db2.gz VJCWBCVSDHHTFB-INIZCTEOSA-N 0 0 271.323 3.799 50 30 CHEARN CC1=C(SC(C)(C)C)C(=O)c2ccccc2C1=O ZINC000000367507 567827239 /nfs/dbraw/zinc/82/72/39/567827239.db2.gz ZWKJIPATARJRIF-UHFFFAOYSA-N 0 0 260.358 3.871 50 30 CHEARN Cc1ccc2c(c1)C(=O)/C(=C/c1cccs1)CO2 ZINC000000366827 567827343 /nfs/dbraw/zinc/82/73/43/567827343.db2.gz FYZQQQPKRCSGSW-DHZHZOJOSA-N 0 0 256.326 3.715 50 30 CHEARN CN(C)/C=C1\C(=O)c2c(cccc2F)[C@H]1c1ccccc1 ZINC000001396650 567837101 /nfs/dbraw/zinc/83/71/01/567837101.db2.gz KNDUVQUJNYWREQ-SYCZXOQXSA-N 0 0 281.330 3.599 50 30 CHEARN N#CC1(c2ccc(Br)cc2)CCCC1 ZINC000001510254 567837571 /nfs/dbraw/zinc/83/75/71/567837571.db2.gz NLHJLQZXHOLSBX-UHFFFAOYSA-N 0 0 250.139 3.784 50 30 CHEARN CCCCCCCc1c(O)[nH]c2ccccc2c1=O ZINC000002027857 567844154 /nfs/dbraw/zinc/84/41/54/567844154.db2.gz NPJSBHRVMHKFAJ-UHFFFAOYSA-N 0 0 259.349 3.747 50 30 CHEARN Cc1ccc2c(c1)c1cccc3c1n2CCN3CCC#N ZINC000002482572 567845922 /nfs/dbraw/zinc/84/59/22/567845922.db2.gz AVAHFXSNWRTHPP-UHFFFAOYSA-N 0 0 275.355 3.837 50 30 CHEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(Cl)cc1 ZINC000002571328 567848369 /nfs/dbraw/zinc/84/83/69/567848369.db2.gz DPSNBOGJIUODEX-UHFFFAOYSA-N 0 0 268.699 3.803 50 30 CHEARN Cc1ccc(C(=O)C=CNc2ccc(O)cc2C)cc1 ZINC000002833064 567849378 /nfs/dbraw/zinc/84/93/78/567849378.db2.gz OAPGEGTUCBSAGA-MDZDMXLPSA-N 0 0 267.328 3.818 50 30 CHEARN COc1cccc(/C=C/C(=O)c2cccs2)c1OC ZINC000004010549 567854529 /nfs/dbraw/zinc/85/45/29/567854529.db2.gz IEAIVTMCGXHWPX-CMDGGOBGSA-N 0 0 274.341 3.661 50 30 CHEARN C=CCC[C@H](C)Nc1ccc(F)c(NC(C)=O)c1 ZINC000097375372 567860001 /nfs/dbraw/zinc/86/00/01/567860001.db2.gz NBPLANZDNKBJED-JTQLQIEISA-N 0 0 250.317 3.551 50 30 CHEARN CNc1ccccc(C(=O)/C=C\c2ccccc2Cl)c1=O ZINC000097474717 567860974 /nfs/dbraw/zinc/86/09/74/567860974.db2.gz PQSJMLZJMPFDFZ-KHPPLWFESA-N 0 0 299.757 3.638 50 30 CHEARN C=CCNc1ncnc2scc(-c3ccccc3)c21 ZINC000004341883 567863548 /nfs/dbraw/zinc/86/35/48/567863548.db2.gz HDEJCXNQROYVAV-UHFFFAOYSA-N 0 0 267.357 3.956 50 30 CHEARN Cc1cc(SCCC#N)n2c3ccccc3nc2c1C#N ZINC000004404624 567864603 /nfs/dbraw/zinc/86/46/03/567864603.db2.gz FFRLCBYKOVFKFW-UHFFFAOYSA-N 0 0 292.367 3.673 50 30 CHEARN C/C(=N\[O-])C(=O)c1ccc(-c2ccccc2F)cc1 ZINC000013469131 567866208 /nfs/dbraw/zinc/86/62/08/567866208.db2.gz FXIKETPEBNKDGH-LICLKQGHSA-N 0 0 257.264 3.526 50 30 CHEARN CCN(Cc1ccncc1)C(=S)Nc1ccccc1 ZINC000013519985 567866214 /nfs/dbraw/zinc/86/62/14/567866214.db2.gz NNPJGVWZZYRALN-UHFFFAOYSA-N 0 0 271.389 3.521 50 30 CHEARN Cc1ccc(C(=O)C=CNc2ccccc2O)cc1 ZINC000013799527 567867905 /nfs/dbraw/zinc/86/79/05/567867905.db2.gz VMWLDTROZUFXDI-ZHACJKMWSA-N 0 0 253.301 3.509 50 30 CHEARN O=C1C=C(Nc2ccccc2NC2=CC(=O)CCC2)CCC1 ZINC000015413873 567870524 /nfs/dbraw/zinc/87/05/24/567870524.db2.gz IZYYZYBDPSJVFK-UHFFFAOYSA-N 0 0 296.370 3.784 50 30 CHEARN CN(C)c1ccc(/C=C2/CCc3ccccc3C2=O)cc1 ZINC000016957409 567874313 /nfs/dbraw/zinc/87/43/13/567874313.db2.gz OZRILDJFQSECBV-SSZFMOIBSA-N 0 0 277.367 3.965 50 30 CHEARN Cc1ccc(C)c(/C=C2\C(=O)ON=C2c2ccccc2)c1 ZINC000017123309 567874935 /nfs/dbraw/zinc/87/49/35/567874935.db2.gz YSJBJVQJGDLENV-WJDWOHSUSA-N 0 0 277.323 3.648 50 30 CHEARN Oc1ccc(Cl)cc1C=Nc1ccc2c[nH]nc2c1 ZINC000017948474 567876278 /nfs/dbraw/zinc/87/62/78/567876278.db2.gz RDVAAGNYEDHVGL-FRKPEAEDSA-N 0 0 271.707 3.673 50 30 CHEARN CCC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000018107337 567876410 /nfs/dbraw/zinc/87/64/10/567876410.db2.gz MIRCMPADDGVULU-DTQAZKPQSA-N 0 0 285.303 3.527 50 30 CHEARN Cc1ccc2c(c1)C/C(=C\c1ccc(N(C)C)cc1)C2=O ZINC000019927793 567879969 /nfs/dbraw/zinc/87/99/69/567879969.db2.gz DCNZSOINCRFTJX-LFIBNONCSA-N 0 0 277.367 3.883 50 30 CHEARN CCN(CC)c1ccc(C=[NH+][N-]c2nc(C)cs2)cc1 ZINC000023402668 567881922 /nfs/dbraw/zinc/88/19/22/567881922.db2.gz AMMCMHHZEFUZMX-MHWRWJLKSA-N 0 0 288.420 3.744 50 30 CHEARN C=C(C)c1nc(C#N)c(N=NCc2cccc(Cl)c2)o1 ZINC000027562382 567883263 /nfs/dbraw/zinc/88/32/63/567883263.db2.gz QOZBAVDMAIKWER-CAOOACKPSA-N 0 0 286.722 3.679 50 30 CHEARN COc1ccc(C=NNc2cc(C)c3ccccc3n2)cc1 ZINC000032606291 567886239 /nfs/dbraw/zinc/88/62/39/567886239.db2.gz NKVCSDVOYZWPHT-UNOMPAQXSA-N 0 0 291.354 3.998 50 30 CHEARN CC(C)(C)[C@H](NC(=O)Nc1cccc(C#N)c1)C(F)(F)F ZINC000072306163 567886712 /nfs/dbraw/zinc/88/67/12/567886712.db2.gz ZOIONMHLYUZCQV-NSHDSACASA-N 0 0 299.296 3.657 50 30 CHEARN CC[C@@]1(C)C[C@@](CC#N)(c2ccc(OC)cc2)CCO1 ZINC000000367104 567887466 /nfs/dbraw/zinc/88/74/66/567887466.db2.gz DKPMIFWUXBXVHV-IRXDYDNUSA-N 0 0 273.376 3.826 50 30 CHEARN N#Cc1ccc(NC(=O)c2ccccc2F)cc1Cl ZINC000000442398 567887965 /nfs/dbraw/zinc/88/79/65/567887965.db2.gz VLNQVRYFIRVIJG-UHFFFAOYSA-N 0 0 274.682 3.603 50 30 CHEARN Cc1cc(-c2ccc(Cl)cc2Cl)c(C#N)c(=O)[nH]1 ZINC000013639029 567893245 /nfs/dbraw/zinc/89/32/45/567893245.db2.gz RHPYWFJFFJOGQW-UHFFFAOYSA-N 0 0 279.126 3.529 50 30 CHEARN C[C@H]1Cc2ccccc2N1Cc1cc(C#N)ccc1F ZINC000011192956 567896502 /nfs/dbraw/zinc/89/65/02/567896502.db2.gz XQWISZUGAHYVAI-LBPRGKRZSA-N 0 0 266.319 3.649 50 30 CHEARN COc1cc(-c2ccc(Cl)c(C#N)c2)ccc1O ZINC000065342685 567896876 /nfs/dbraw/zinc/89/68/76/567896876.db2.gz ZBLVLJOORLJUFQ-UHFFFAOYSA-N 0 0 259.692 3.593 50 30 CHEARN Cc1cccc(Nc2ccccc2C(=O)OCC#N)c1C ZINC000011437845 567908447 /nfs/dbraw/zinc/90/84/47/567908447.db2.gz CILLJXBSIOALPP-UHFFFAOYSA-N 0 0 280.327 3.727 50 30 CHEARN OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095686653 567909582 /nfs/dbraw/zinc/90/95/82/567909582.db2.gz FROXCSGRCWYTIE-UHFFFAOYSA-N 0 0 292.141 3.617 50 30 CHEARN N#CCc1ccc(N2CCC(=O)C3CCCC[C@@H]32)cc1 ZINC000100018666 567911757 /nfs/dbraw/zinc/91/17/57/567911757.db2.gz YGYPQKZAWAUTIU-INIZCTEOSA-N 0 0 268.360 3.717 50 30 CHEARN COc1ccc(NC=C(C(C)=O)c2ccccc2)cc1 ZINC000100363536 567912983 /nfs/dbraw/zinc/91/29/83/567912983.db2.gz IWFAYYOSQNBDSP-ATVHPVEESA-N 0 0 267.328 3.737 50 30 CHEARN COC(=O)[C@H](/N=C/c1ccc(Cl)cc1)c1ccccc1 ZINC000100911935 567914149 /nfs/dbraw/zinc/91/41/49/567914149.db2.gz AYZZZYYVDFDSOS-CLXYIWAZSA-N 0 0 287.746 3.673 50 30 CHEARN C=CC(=O)N[C@@H](CC1CCCCC1)c1ncccn1 ZINC000328599280 567922912 /nfs/dbraw/zinc/92/29/12/567922912.db2.gz REQZUDACIJOABI-ZDUSSCGKSA-N 0 0 259.353 3.631 50 30 CHEARN CCCCCNC=C1Sc2ccc(OCC)cc2C1=O ZINC000100174159 567923051 /nfs/dbraw/zinc/92/30/51/567923051.db2.gz HPLKOXVCIXDTNJ-RVDMUPIBSA-N 0 0 291.416 3.995 50 30 CHEARN CC(C)(C#N)[C@@H](OC(=O)c1ccco1)c1ccccc1 ZINC000000185631 567924677 /nfs/dbraw/zinc/92/46/77/567924677.db2.gz BPTBYXVTLRUBQO-AWEZNQCLSA-N 0 0 269.300 3.727 50 30 CHEARN N#Cc1ccccc1CSc1nc2ccccc2[nH]1 ZINC000000187885 567924749 /nfs/dbraw/zinc/92/47/49/567924749.db2.gz IDDUWXSCBFMADG-UHFFFAOYSA-N 0 0 265.341 3.727 50 30 CHEARN COc1ccc2c(c1)OC/C(=C\c1ccc(C)cc1)C2=O ZINC000000194818 567924779 /nfs/dbraw/zinc/92/47/79/567924779.db2.gz GWADAEPWYDNBEA-NTEUORMPSA-N 0 0 280.323 3.662 50 30 biogenic CHEARN CCCC(=O)C1=C(NCc2ccccc2)CC(C)(C)CC1=O ZINC000000287248 567925944 /nfs/dbraw/zinc/92/59/44/567925944.db2.gz CHJNWOMSFMONSK-UHFFFAOYSA-N 0 0 299.414 3.789 50 30 CHEARN C=CCC1(N(Cc2ccccc2)C(C)=O)CCCC1 ZINC000000295250 567926554 /nfs/dbraw/zinc/92/65/54/567926554.db2.gz ADGMHBOGLKHYJW-UHFFFAOYSA-N 0 0 257.377 3.924 50 30 CHEARN Cc1cc(N=CCC(=O)c2cccc3ccccc32)no1 ZINC000004957224 567927995 /nfs/dbraw/zinc/92/79/95/567927995.db2.gz KHENTWXEMKCWEW-MDZDMXLPSA-N 0 0 278.311 3.945 50 30 CHEARN O=C1c2ccc(O)cc2O/C1=C\c1cc2ccccc2o1 ZINC000011764828 567928449 /nfs/dbraw/zinc/92/84/49/567928449.db2.gz OYJRPGCTFWLFIT-SXGWCWSVSA-N 0 0 278.263 3.755 50 30 biogenic CHEARN C=CCNC(=S)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000002170420 567929379 /nfs/dbraw/zinc/92/93/79/567929379.db2.gz BGSYBHCAVAXNNS-QGZVFWFLSA-N 0 0 296.439 3.621 50 30 CHEARN CC(=O)C1=C(Nc2ccccc2C)CC(C)(C)CC1=O ZINC000136649405 567932783 /nfs/dbraw/zinc/93/27/83/567932783.db2.gz ZPJOEUZRXHTFGB-UHFFFAOYSA-N 0 0 271.360 3.639 50 30 CHEARN O/N=C/c1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000100913707 567939410 /nfs/dbraw/zinc/93/94/10/567939410.db2.gz WHUYCRJKEIFSDT-VGOFMYFVSA-N 0 0 277.736 3.524 50 30 CHEARN N#Cc1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3 ZINC000000497265 567939977 /nfs/dbraw/zinc/93/99/77/567939977.db2.gz MHQFILXFNJKKCL-UHFFFAOYSA-N 0 0 295.367 3.889 50 30 aggregator CHEARN Cc1[nH]nc2c1[C@@H](C)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018197830 567940636 /nfs/dbraw/zinc/94/06/36/567940636.db2.gz NQFWDQMXEDUHLS-SCZZXKLOSA-N 0 0 299.399 3.709 50 30 CHEARN CO[P@@](=O)(C#CC(C)(C)C)[C@H](O)c1ccc(F)cc1 ZINC000000547422 567943063 /nfs/dbraw/zinc/94/30/63/567943063.db2.gz NKTJBGHVZOODSW-DJJJIMSYSA-N 0 0 284.267 3.748 50 30 CHEARN C=CCOc1cccc([C@@H]2CC(=O)Nc3ccsc32)c1 ZINC000012363628 567948630 /nfs/dbraw/zinc/94/86/30/567948630.db2.gz XGEIDZULIHAANZ-ZDUSSCGKSA-N 0 0 285.368 3.787 50 30 CHEARN CSc1ccc(CN(CC#N)C2CCCC2)s1 ZINC000225514304 567953690 /nfs/dbraw/zinc/95/36/90/567953690.db2.gz OLSKKKISEFNCFD-UHFFFAOYSA-N 0 0 266.435 3.738 50 30 CHEARN C=CCOc1ccc(C(=O)N[C@H](C)c2ccccc2F)cc1 ZINC000032779873 570222623 /nfs/dbraw/zinc/22/26/23/570222623.db2.gz JAHNMTWVUSYIRY-CYBMUJFWSA-N 0 0 299.345 3.882 50 30 CHEARN COC(=O)c1ccccc1/N=C/c1cc(Cl)ccc1O ZINC000016978544 570225466 /nfs/dbraw/zinc/22/54/66/570225466.db2.gz URJYPMDUSRVBJY-RQZCQDPDSA-N 0 0 289.718 3.583 50 30 CHEARN c1sc(N=NCc2ccccn2)nc1-c1ccccc1 ZINC000004599621 570235403 /nfs/dbraw/zinc/23/54/03/570235403.db2.gz JTHIWSXJCFHERN-LICLKQGHSA-N 0 0 280.356 3.651 50 30 CHEARN CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(C)cc2)c1 ZINC000033458520 570267015 /nfs/dbraw/zinc/26/70/15/570267015.db2.gz HOVVXKGAGABDLF-KHPPLWFESA-N 0 0 279.339 3.850 50 30 CHEARN C=CCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000004539394 570290537 /nfs/dbraw/zinc/29/05/37/570290537.db2.gz PWQSONHALHALPS-UHFFFAOYSA-N 0 0 295.260 3.881 50 30 CHEARN CC1=NN([C@H](C#N)c2ccccc2O)[C@H](c2ccccc2)C1 ZINC000229951584 570316970 /nfs/dbraw/zinc/31/69/70/570316970.db2.gz UHLAYLCGCDNPDG-DLBZAZTESA-N 0 0 291.354 3.780 50 30 CHEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O ZINC000238901810 570319909 /nfs/dbraw/zinc/31/99/09/570319909.db2.gz MUMGGOZAMZWBJJ-VWQYPGANSA-N 0 0 288.431 3.879 50 30 biogenic,investigational CHEARN CC(C)(C)[S@@](=O)/N=C/c1cc(Cl)cc(Cl)c1 ZINC000252497104 570322877 /nfs/dbraw/zinc/32/28/77/570322877.db2.gz PZEXDKSDXMGGPK-SNQWNFELSA-N 0 0 278.204 3.875 50 30 CHEARN N#CC(C#N)[C@@H](CC(=O)c1ccc[nH]1)c1ccc(Cl)cc1 ZINC000001028040 570323898 /nfs/dbraw/zinc/32/38/98/570323898.db2.gz QHKQWZBWTMATNB-AWEZNQCLSA-N 0 0 297.745 3.688 50 30 CHEARN N#CCc1ccc(Cl)c(Cl)c1OC(F)F ZINC000263624461 570325644 /nfs/dbraw/zinc/32/56/44/570325644.db2.gz QSNYQXQXBZVYLI-UHFFFAOYSA-N 0 0 252.047 3.661 50 30 CHEARN C[C@@H](C#N)Sc1ncc(-c2ccccc2)n1C1CC1 ZINC000012541346 570327481 /nfs/dbraw/zinc/32/74/81/570327481.db2.gz MHGNCEDUTLSHFU-NSHDSACASA-N 0 0 269.373 3.889 50 30 CHEARN O=[N+]([O-])c1cc(/N=C/c2ccccc2O)ccc1Cl ZINC000000293529 570341886 /nfs/dbraw/zinc/34/18/86/570341886.db2.gz DEUJGYIWFOAIAD-OVCLIPMQSA-N 0 0 276.679 3.704 50 30 CHEARN O=C1/C(=C/c2cccnc2)CCC/C1=C/c1cccnc1 ZINC000013208163 570360680 /nfs/dbraw/zinc/36/06/80/570360680.db2.gz LYDLODGAUHPYGN-VRNBXGKJSA-N 0 0 276.339 3.697 50 30 CHEARN O=C1c2cc(Cl)ccc2O/C1=C/c1ccccc1 ZINC000001633599 570378922 /nfs/dbraw/zinc/37/89/22/570378922.db2.gz CPBANXAQQGJCHB-RIYZIHGNSA-N 0 0 256.688 3.956 50 30 CHEARN Cc1ccc(NC(=O)NCc2ccc(C#N)cc2)cc1Cl ZINC000000158056 570386822 /nfs/dbraw/zinc/38/68/22/570386822.db2.gz SGDKULNNFSCBLG-UHFFFAOYSA-N 0 0 299.761 3.842 50 30 CHEARN Cc1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1 ZINC000000137311 570386837 /nfs/dbraw/zinc/38/68/37/570386837.db2.gz QWYJPCABKQFSDW-UHFFFAOYSA-N 0 0 296.395 3.739 50 30 CHEARN COc1cccc(OCc2ccc(Cl)cc2)c1C#N ZINC000000172565 570387188 /nfs/dbraw/zinc/38/71/88/570387188.db2.gz GOYLMWYDYSHDDL-UHFFFAOYSA-N 0 0 273.719 3.799 50 30 CHEARN N#Cc1c(NC(=O)c2ccco2)sc2c1CCCCC2 ZINC000000245515 570387512 /nfs/dbraw/zinc/38/75/12/570387512.db2.gz QAWOGIQRZNVTHT-UHFFFAOYSA-N 0 0 286.356 3.734 50 30 CHEARN Cc1ccc(-c2nn(-c3ccccc3)cc2C#N)cc1 ZINC000215841535 570398310 /nfs/dbraw/zinc/39/83/10/570398310.db2.gz DJHQRNVXHJMISZ-UHFFFAOYSA-N 0 0 259.312 3.719 50 30 CHEARN Cc1ccc(/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000013856136 1125513560 /nfs/dbraw/zinc/51/35/60/1125513560.db2.gz NXQOLCGWDVGPFH-UHFFFAOYSA-N 0 0 270.719 3.721 50 30 CHEARN C[C@@H]1CCC[C@@H](C)N1N=C/C=C\c1ccccc1[N+](=O)[O-] ZINC000885838248 1125625043 /nfs/dbraw/zinc/62/50/43/1125625043.db2.gz AGDMTVLVWTVRJX-FWVDWYJGSA-N 0 0 287.363 3.857 50 30 CHEARN N#Cc1cnccc1/C=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000349105130 1127148035 /nfs/dbraw/zinc/14/80/35/1127148035.db2.gz FTNLRLDZHVAVNN-IJIVKGSJSA-N 0 0 277.283 3.588 50 30 CHEARN Cc1ccccc1/C=C1\Cc2c(cccc2O)C1=O ZINC000011335957 1127779120 /nfs/dbraw/zinc/77/91/20/1127779120.db2.gz BYDHUOKHRIRHPN-UKTHLTGXSA-N 0 0 250.297 3.523 50 30 CHEARN C=CCOc1cccc(/C=C2/Oc3cc(O)ccc3C2=O)c1 ZINC000036398598 1128418152 /nfs/dbraw/zinc/41/81/52/1128418152.db2.gz ALGDTZJFOIUPRT-LICLKQGHSA-N 0 0 294.306 3.573 50 30 CHEARN CC(C)[C@@H]1CC[C@@H](C)/C(=C/c2ccc(N)cc2)C1=O ZINC000036022152 1117870575 /nfs/dbraw/zinc/87/05/75/1117870575.db2.gz GTUBLXPYISHKLW-PUCAEAQLSA-N 0 0 257.377 3.923 50 30 CHEARN COC(=O)c1occc1/C=C/C(=O)c1ccc(Cl)s1 ZINC000073116085 1117895868 /nfs/dbraw/zinc/89/58/68/1117895868.db2.gz KSEAWIVVLZIZRJ-NSCUHMNNSA-N 0 0 296.731 3.677 50 30 CHEARN CCN(Cc1ccccc1OCC(C)C)C[C@@H](C)C#N ZINC000072313430 1118389644 /nfs/dbraw/zinc/38/96/44/1118389644.db2.gz RAHYOQUEWXPWBH-HNNXBMFYSA-N 0 0 274.408 3.703 50 30 CHEARN N#CC1(c2ccc(Br)cc2F)CCC1 ZINC000075933899 1118640905 /nfs/dbraw/zinc/64/09/05/1118640905.db2.gz UCOCUNWNHVTRDH-UHFFFAOYSA-N 0 0 254.102 3.533 50 30 CHEARN CC(=O)Oc1ccc(/C=C2\Sc3ccccc3C2=O)cc1 ZINC000033304783 1118726621 /nfs/dbraw/zinc/72/66/21/1118726621.db2.gz XIOBFTGKFOVORM-YBEGLDIGSA-N 0 0 296.347 3.941 50 30 CHEARN CC1CCN(c2c(C#N)c(Cl)nc3ccccc32)CC1 ZINC000033308056 1118730072 /nfs/dbraw/zinc/73/00/72/1118730072.db2.gz CRDZWVKCVOVYIO-UHFFFAOYSA-N 0 0 285.778 3.996 50 30 CHEARN N#Cc1ccc(/C=C/C=C/c2ccccc2[N+](=O)[O-])nc1 ZINC000195175034 1120150728 /nfs/dbraw/zinc/15/07/28/1120150728.db2.gz IJZGVYXZGYYSQH-JGOQQPJWSA-N 0 0 277.283 3.588 50 30 CHEARN Cc1ccc(/N=C/c2cc3ccccc3[nH]c2=O)c(C)c1 ZINC000000531207 1120247562 /nfs/dbraw/zinc/24/75/62/1120247562.db2.gz VPPYBNOURHCIML-YBFXNURJSA-N 0 0 276.339 3.896 50 30 CHEARN CN(C)/C=C1/C(=O)c2ccccc2O[C@@H]1C1CCCCC1 ZINC000108516378 1120752398 /nfs/dbraw/zinc/75/23/98/1120752398.db2.gz NRPVCLUVCYXKMQ-WTQUMQLASA-N 0 0 285.387 3.656 50 30 CHEARN O/N=C(\Cc1ccccc1)c1c[nH]c2ccccc12 ZINC000006658384 1121153688 /nfs/dbraw/zinc/15/36/88/1121153688.db2.gz SWUZEGWFYNIPJS-FBMGVBCBSA-N 0 0 250.301 3.589 50 30 CHEARN CCCCNC(=S)NN=C/C=C(/C)CCC=C(C)C ZINC000606347454 1121665768 /nfs/dbraw/zinc/66/57/68/1121665768.db2.gz LUJIFJJPECKBJK-PWILCXIFSA-N 0 0 281.469 3.929 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2cc(O)c(O)c(Cl)c2)cc1 ZINC000015553938 1121704664 /nfs/dbraw/zinc/70/46/64/1121704664.db2.gz BBMJGRZLURKUHQ-QPJJXVBHSA-N 0 0 288.730 3.956 50 30 CHEARN N#CCc1c(Cl)ccc(OC(F)F)c1Cl ZINC000263622790 1121843069 /nfs/dbraw/zinc/84/30/69/1121843069.db2.gz AXTYRKZYQNRQOG-UHFFFAOYSA-N 0 0 252.047 3.661 50 30 CHEARN N#Cc1ccc(/C=C\C(=O)c2ccc(F)cc2F)cc1 ZINC000033476468 1129091153 /nfs/dbraw/zinc/09/11/53/1129091153.db2.gz NDJMLPXCPUERAE-YVMONPNESA-N 0 0 269.250 3.733 50 30 CHEARN CSc1ccc(C(=O)/C=C\c2c(C)n[nH]c2C)cc1 ZINC000097152238 1129586041 /nfs/dbraw/zinc/58/60/41/1129586041.db2.gz BKEXAOLZOAGPLM-HJWRWDBZSA-N 0 0 272.373 3.645 50 30 CHEARN S=C1N=C(c2ccccc2)CN1N=Cc1ccsc1 ZINC000254310392 1129685131 /nfs/dbraw/zinc/68/51/31/1129685131.db2.gz URYAMONLOAXUJC-UHFFFAOYSA-N 0 0 285.397 3.783 50 30 CHEARN Cc1cn2c(C=NOCc3ccccc3)c(C)nc2s1 ZINC000254569554 1129702525 /nfs/dbraw/zinc/70/25/25/1129702525.db2.gz QULVURAPAVYFHA-UHFFFAOYSA-N 0 0 285.372 3.563 50 30 CHEARN N#Cc1c2c(sc1N=Cc1ccccc1O)CCCC2 ZINC000254748469 1129708776 /nfs/dbraw/zinc/70/87/76/1129708776.db2.gz BWIYCJPFVIVKTG-UHFFFAOYSA-N 0 0 282.368 3.955 50 30 CHEARN Cc1ccc(NC(=O)CON=Cc2ccccc2C)c(C)c1 ZINC000254773582 1129710325 /nfs/dbraw/zinc/71/03/25/1129710325.db2.gz DXMZOWYRUHSKJC-UHFFFAOYSA-N 0 0 296.370 3.601 50 30 CHEARN C#CCCC1(CCC(=O)Nc2ccc(F)c(C3CC3)c2)N=N1 ZINC000952881740 1132016664 /nfs/dbraw/zinc/01/66/64/1132016664.db2.gz PRWMNMLXOIVPCZ-UHFFFAOYSA-N 0 0 299.349 3.997 50 30 CHEARN N#CCCCSc1nnc(Nc2ccccc2F)s1 ZINC000006638570 230369789 /nfs/dbraw/zinc/36/97/89/230369789.db2.gz PQBAVJQSUYFHKX-UHFFFAOYSA-N 0 0 294.380 3.817 50 30 CHEARN COc1ccc([C@@H](CC#N)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000000080268 230365689 /nfs/dbraw/zinc/36/56/89/230365689.db2.gz RFPAQGZYPUHWHW-GDBMZVCRSA-N 0 0 273.376 3.898 50 30 CHEARN O=C1CC(c2ccccc2)CC(=O)C1=CNC1CCCCC1 ZINC000100629497 230392127 /nfs/dbraw/zinc/39/21/27/230392127.db2.gz DMGOUPLUPPUROQ-UHFFFAOYSA-N 0 0 297.398 3.508 50 30 CHEARN FC1=C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000095707811 185017880 /nfs/dbraw/zinc/01/78/80/185017880.db2.gz ZFFLXJVVPHACEG-UHFFFAOYSA-N 0 0 262.046 3.692 50 30 CHEARN CC(C)c1nc(C(=O)Nc2ccc(F)c(C#N)c2)cs1 ZINC000095947217 185038221 /nfs/dbraw/zinc/03/82/21/185038221.db2.gz CHHTXGQOYYMWIS-UHFFFAOYSA-N 0 0 289.335 3.530 50 30 CHEARN N#CCCSc1ccccc1NC(=O)[C@@H]1CC=CCC1 ZINC000095953508 185040891 /nfs/dbraw/zinc/04/08/91/185040891.db2.gz UNCFRECFIKUZJD-CYBMUJFWSA-N 0 0 286.400 3.987 50 30 CHEARN Cc1nc(NC(=O)C[C@@H]2CCCC(C)(C)C2)sc1C#N ZINC000096011079 185064465 /nfs/dbraw/zinc/06/44/65/185064465.db2.gz VQQYQIDSWQTHNJ-NSHDSACASA-N 0 0 291.420 3.868 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccccc2Cl)cc1O ZINC000096766284 185112274 /nfs/dbraw/zinc/11/22/74/185112274.db2.gz RAGGWRQGRIKVOR-VURMDHGXSA-N 0 0 288.730 3.950 50 30 CHEARN O=C1c2cccc(O)c2C/C1=C\c1ccc(Cl)cc1 ZINC000096931911 185132438 /nfs/dbraw/zinc/13/24/38/185132438.db2.gz HQPGYYFEXMQWST-DHZHZOJOSA-N 0 0 270.715 3.868 50 30 CHEARN CCOc1cc(/C=C\C(=O)c2ccc(C)o2)ccc1O ZINC000096930425 185132493 /nfs/dbraw/zinc/13/24/93/185132493.db2.gz JSFSAYMQOWKUOX-ALCCZGGFSA-N 0 0 272.300 3.588 50 30 CHEARN O=C1c2cc(F)ccc2OCC/C1=C/c1cccc(O)c1 ZINC000096988696 185146403 /nfs/dbraw/zinc/14/64/03/185146403.db2.gz UOGKILOFKXOELZ-WQLSENKSSA-N 0 0 284.286 3.580 50 30 CHEARN COc1ccc(/C=C2/CCOc3ccc(F)cc3C2=O)cc1 ZINC000096988694 185148402 /nfs/dbraw/zinc/14/84/02/185148402.db2.gz OWMSRUJURCVFLS-RAXLEYEMSA-N 0 0 298.313 3.883 50 30 CHEARN C=CCOc1cccc(NC(=O)N2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000097514217 185620642 /nfs/dbraw/zinc/62/06/42/185620642.db2.gz FXOXZWZXLVEXQL-GASCZTMLSA-N 0 0 298.386 3.681 50 30 CHEARN CCCCCCCCCCCC[S@](=O)CCO ZINC000100107879 185705206 /nfs/dbraw/zinc/70/52/06/185705206.db2.gz MFWFLYVQFMEYJO-QGZVFWFLSA-N 0 0 262.459 3.648 50 30 CHEARN O=Cc1c(F)cccc1OC(C(F)(F)F)C(F)(F)F ZINC000169725278 188662361 /nfs/dbraw/zinc/66/23/61/188662361.db2.gz DXUIVPNAJIFSDN-UHFFFAOYSA-N 0 0 290.134 3.510 50 30 CHEARN CC(C)(C)OC(=O)n1c(Cl)cc2cc(C#N)ccc21 ZINC000261493649 190039723 /nfs/dbraw/zinc/03/97/23/190039723.db2.gz GNWUTJFUMDKAAN-UHFFFAOYSA-N 0 0 276.723 3.950 50 30 CHEARN CC(=CC=Cc1ccccc1)C(=O)c1c(C)cc(C)[nH]c1=O ZINC000000069802 169525379 /nfs/dbraw/zinc/52/53/79/169525379.db2.gz JVXZVJMPYQDUGD-ZHSLHGDYSA-N 0 0 293.366 3.834 50 30 CHEARN CC(C)=N/N=C1/N=C(c2ccc(Cl)cc2)CS1 ZINC000000076015 169527777 /nfs/dbraw/zinc/52/77/77/169527777.db2.gz KKKQPCWHLTWPFF-VBKFSLOCSA-N 0 0 265.769 3.628 50 30 CHEARN N#Cc1c(=S)[nH]c2c(c1-c1ccco1)CCCC2 ZINC000000189581 169569266 /nfs/dbraw/zinc/56/92/66/169569266.db2.gz MTTDRMWFWJDYJL-UHFFFAOYSA-N 0 0 256.330 3.755 50 30 CHEARN CCn1c2ccc(Cl)cc2c2c1/C(=N/O)CCC2 ZINC000000208346 169575140 /nfs/dbraw/zinc/57/51/40/169575140.db2.gz UXYUUVBMILMMFL-FOWTUZBSSA-N 0 0 262.740 3.829 50 30 CHEARN CNC(=S)N=C(Nc1ccc(C)cc1)c1ccccc1 ZINC000000234936 169581685 /nfs/dbraw/zinc/58/16/85/169581685.db2.gz ZXOVWKOWNPZRJA-UHFFFAOYSA-N 0 0 283.400 3.579 50 30 CHEARN NC(=O)c1cccc(/N=C/c2cccc(Cl)c2Cl)c1 ZINC000000261151 169590498 /nfs/dbraw/zinc/59/04/98/169590498.db2.gz IDWODYOLYJFAGR-QGMBQPNBSA-N 0 0 293.153 3.843 50 30 CHEARN Cc1ccccc1/C=N/c1cccc([N+](=O)[O-])c1C ZINC000000273955 169594304 /nfs/dbraw/zinc/59/43/04/169594304.db2.gz URFUOOUQILGQAW-MHWRWJLKSA-N 0 0 254.289 3.962 50 30 CHEARN CC(Nc1ccccc1C)=C1C(=O)CC(C)(C)CC1=O ZINC000000287219 169597692 /nfs/dbraw/zinc/59/76/92/169597692.db2.gz UCELWVKVWLIBJI-UHFFFAOYSA-N 0 0 271.360 3.639 50 30 CHEARN Cc1c(/N=C/c2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000000346953 169613344 /nfs/dbraw/zinc/61/33/44/169613344.db2.gz LVXFYSYUVBWJDS-LICLKQGHSA-N 0 0 265.272 3.526 50 30 CHEARN CC(C)(C)c1cc(-c2ccco2)c(C#N)c(=S)[nH]1 ZINC000000348501 169613661 /nfs/dbraw/zinc/61/36/61/169613661.db2.gz YNAGIJXGWFTSGV-UHFFFAOYSA-N 0 0 258.346 3.799 50 30 CHEARN Cc1cc(C)c(C#N)c(SCc2ccc(Cl)nc2)n1 ZINC000000377655 169623610 /nfs/dbraw/zinc/62/36/10/169623610.db2.gz OHADEOKRMXGZDY-UHFFFAOYSA-N 0 0 289.791 3.911 50 30 CHEARN C[C@H]1Cc2cc(C(=O)/C=C/c3ccccc3)ccc2O1 ZINC000004027516 184528835 /nfs/dbraw/zinc/52/88/35/184528835.db2.gz DPPSBECEYJCNCQ-XOVSCCBYSA-N 0 0 264.324 3.906 50 30 biogenic CHEARN O=C1c2ccccc2CSC[C@]12O[C@H]2c1cccs1 ZINC000004085360 184530832 /nfs/dbraw/zinc/53/08/32/184530832.db2.gz KPNUVJYTDMMWSA-GJZGRUSLSA-N 0 0 288.393 3.688 50 30 CHEARN N#Cc1ccccc1NC(=O)Cc1cccc2ccccc21 ZINC000000486647 169654284 /nfs/dbraw/zinc/65/42/84/169654284.db2.gz AALBVALCESXEJW-UHFFFAOYSA-N 0 0 286.334 3.893 50 30 CHEARN CCC[C@H](C#N)NC(=O)/C=C\c1c(CC)oc2ccccc21 ZINC000096315820 256773447 /nfs/dbraw/zinc/77/34/47/256773447.db2.gz VSJNANLMWQNXHB-BSYHEUMXSA-N 0 0 296.370 3.817 50 30 CHEARN CCOc1cc(/C=C/C(=O)c2cccc(F)c2)ccc1O ZINC000028495499 256875203 /nfs/dbraw/zinc/87/52/03/256875203.db2.gz RNWJFOMPRWTESU-SOFGYWHQSA-N 0 0 286.302 3.826 50 30 CHEARN CCCOc1ccccc1C(=O)Nc1ccccc1C#N ZINC000008560938 260031403 /nfs/dbraw/zinc/03/14/03/260031403.db2.gz RKHSYVWONCMYQQ-UHFFFAOYSA-N 0 0 280.327 3.599 50 30 CHEARN CCC(=O)[C@@H](C#N)[C@@H](c1ccco1)c1ccccc1OC ZINC000000546237 169665773 /nfs/dbraw/zinc/66/57/73/169665773.db2.gz YCRNBNOENAWLRS-DYVFJYSZSA-N 0 0 283.327 3.539 50 30 CHEARN CN(C)/C=C/C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000095100075 184944350 /nfs/dbraw/zinc/94/43/50/184944350.db2.gz AENNHUHISIWUAQ-VAWYXSNFSA-N 0 0 285.318 3.876 50 30 CHEARN C=CCn1c2ccccc2c2nnc(SCCC)nc21 ZINC000002774660 169828914 /nfs/dbraw/zinc/82/89/14/169828914.db2.gz XWYNXXPSVBLPQR-UHFFFAOYSA-N 0 0 284.388 3.668 50 30 CHEARN N#Cc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1 ZINC000003291950 169875809 /nfs/dbraw/zinc/87/58/09/169875809.db2.gz FUEKCAWYWWLTGX-UHFFFAOYSA-N 0 0 273.291 3.931 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 ZINC000003506328 169892591 /nfs/dbraw/zinc/89/25/91/169892591.db2.gz LIWRJJIPQLEUEK-UHFFFAOYSA-N 0 0 274.663 3.912 50 30 CHEARN C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C ZINC000003812897 169913465 /nfs/dbraw/zinc/91/34/65/169913465.db2.gz BFPYWIDHMRZLRN-SLHNCBLASA-N 0 0 296.410 3.613 50 30 biogenic,fda CHEARN CCCC[C@H](CC)[C@@H]1CC(=O)C=C(C)[C@@H]1C(=O)OCC ZINC000003881995 169919536 /nfs/dbraw/zinc/91/95/36/169919536.db2.gz VOMWEKBBFUHRJE-BPUTZDHNSA-N 0 0 280.408 3.917 50 30 CHEARN C=CCOc1ccccc1CNc1ccc2c(c1)OCCO2 ZINC000003888662 169920575 /nfs/dbraw/zinc/92/05/75/169920575.db2.gz DUSCSKDJANSRIJ-UHFFFAOYSA-N 0 0 297.354 3.635 50 30 CHEARN COc1ccc(N/C(=N\O)c2ccccc2)cc1Cl ZINC000004698188 170001183 /nfs/dbraw/zinc/00/11/83/170001183.db2.gz PRSYGFUMCWUQKQ-UHFFFAOYSA-N 0 0 276.723 3.597 50 30 CHEARN Clc1ccc(CN=Nc2cccc(Cl)n2)cc1 ZINC000004703510 170002062 /nfs/dbraw/zinc/00/20/62/170002062.db2.gz WRIRTDFXGSLDEP-OVCLIPMQSA-N 0 0 266.131 3.834 50 30 CHEARN Cc1cc(C)c2c(/N=C/c3ccccc3O)c(N)sc2n1 ZINC000004708443 170002920 /nfs/dbraw/zinc/00/29/20/170002920.db2.gz DDQRQXTVUUBSQK-QGMBQPNBSA-N 0 0 297.383 3.952 50 30 CHEARN CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1O ZINC000004739705 170008476 /nfs/dbraw/zinc/00/84/76/170008476.db2.gz QVVFCMOZFUZEKX-GIJQJNRQSA-N 0 0 284.315 3.623 50 30 CHEARN COc1ccc(C(C)N=Nc2nc3ccccc3o2)cc1 ZINC000004747148 170011197 /nfs/dbraw/zinc/01/11/97/170011197.db2.gz ZTBYZRSEUYERRP-WQRHYEAKSA-N 0 0 281.315 3.673 50 30 CHEARN CSC1=N/C(=C\c2ccc(Cl)cc2)C(=O)S1 ZINC000004755078 170011682 /nfs/dbraw/zinc/01/16/82/170011682.db2.gz LJOAWDQQAIZCLF-TWGQIWQCSA-N 0 0 269.778 3.673 50 30 CHEARN C=CCc1cccc(C=NNc2ccc(OC)cc2)c1O ZINC000004837526 170026745 /nfs/dbraw/zinc/02/67/45/170026745.db2.gz CCGSVKOYVJJEGS-LDADJPATSA-N 0 0 282.343 3.575 50 30 CHEARN CC(C)COc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000004842135 170028514 /nfs/dbraw/zinc/02/85/14/170028514.db2.gz GMMXPQORRHQHIQ-UHFFFAOYSA-N 0 0 294.354 3.845 50 30 CHEARN N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)[nH]c1=S ZINC000004889245 170036450 /nfs/dbraw/zinc/03/64/50/170036450.db2.gz BLWMKCTXGSCBID-UHFFFAOYSA-N 0 0 270.401 3.710 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000004905589 170038860 /nfs/dbraw/zinc/03/88/60/170038860.db2.gz GUWIHBYWJHFQNK-UHFFFAOYSA-N 0 0 287.706 3.732 50 30 CHEARN CC(=O)/C(=C/c1ccccc1)C(=O)Nc1ccccc1C ZINC000004950206 170044807 /nfs/dbraw/zinc/04/48/07/170044807.db2.gz YVTHQSTUWPWCFC-VBKFSLOCSA-N 0 0 279.339 3.606 50 30 CHEARN N#Cc1nc(/C=C/c2ccccc2)oc1NCc1ccco1 ZINC000005027921 170057591 /nfs/dbraw/zinc/05/75/91/170057591.db2.gz FPTARECHFWZMPA-CMDGGOBGSA-N 0 0 291.310 3.922 50 30 CHEARN COc1ccccc1/C=C/C(=O)c1ccc(F)cc1 ZINC000005073007 170064542 /nfs/dbraw/zinc/06/45/42/170064542.db2.gz ISLMFUGUMWAREC-DHZHZOJOSA-N 0 0 256.276 3.730 50 30 CHEARN Cc1ccccc1NC=CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005074002 170064563 /nfs/dbraw/zinc/06/45/63/170064563.db2.gz MWVNWOBEONJHQL-KHPPLWFESA-N 0 0 282.299 3.712 50 30 CHEARN Cc1ccc2c(COc3ccc(C#N)cc3)cc(=O)oc2c1 ZINC000005108559 170066831 /nfs/dbraw/zinc/06/68/31/170066831.db2.gz WKRFDDVQUOVFGS-UHFFFAOYSA-N 0 0 291.306 3.552 50 30 CHEARN Nc1ccc(NC2=CC(=O)C[C@H](c3ccccc3)C2)cc1 ZINC000005224605 170077479 /nfs/dbraw/zinc/07/74/79/170077479.db2.gz YLFLJDSQDWIXTH-CQSZACIVSA-N 0 0 278.355 3.711 50 30 CHEARN CCOc1cccc(/C=N/c2cccc(OC)c2)c1O ZINC000005273513 170081633 /nfs/dbraw/zinc/08/16/33/170081633.db2.gz XSOHLGXOGREWJY-GZTJUZNOSA-N 0 0 271.316 3.550 50 30 CHEARN COc1cccc(/C=N/c2cccc(C)c2C)c1O ZINC000005273522 170081791 /nfs/dbraw/zinc/08/17/91/170081791.db2.gz ACOJPKQGJLRAAH-LICLKQGHSA-N 0 0 255.317 3.768 50 30 CHEARN Cc1ccc(/C=N/c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000005277287 170082025 /nfs/dbraw/zinc/08/20/25/170082025.db2.gz WRSKGENFDRJWTP-MHWRWJLKSA-N 0 0 254.289 3.962 50 30 CHEARN N#CCSc1nccc(/C=C/c2ccc(Cl)cc2)n1 ZINC000005344351 170087985 /nfs/dbraw/zinc/08/79/85/170087985.db2.gz JCZWEYWCCNDIFH-ZZXKWVIFSA-N 0 0 287.775 3.916 50 30 CHEARN Cn1c(SCCCC#N)nnc1-c1ccccc1Cl ZINC000005448239 170100327 /nfs/dbraw/zinc/10/03/27/170100327.db2.gz VLJHGDPZSXJFJN-UHFFFAOYSA-N 0 0 292.795 3.531 50 30 CHEARN C(=NN=c1[nH]c2ccccc2[nH]1)c1cccc2cccnc12 ZINC000005457358 170100787 /nfs/dbraw/zinc/10/07/87/170100787.db2.gz LDZZALGJYHLYFN-YBFXNURJSA-N 0 0 287.326 3.557 50 30 CHEARN CCCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000005711335 170131896 /nfs/dbraw/zinc/13/18/96/170131896.db2.gz GZSWRUKZUKDASR-UHFFFAOYSA-N 0 0 295.386 3.764 50 30 CHEARN CC1=Nc2ccccc2N=C2CC(C)(C)CC(=O)C21 ZINC000005822671 170143991 /nfs/dbraw/zinc/14/39/91/170143991.db2.gz HKRTUBIOXMNGEE-UHFFFAOYSA-N 0 0 254.333 3.848 50 30 CHEARN O=C(N=C(c1ccccc1)c1ccccc1)c1ccco1 ZINC000005899483 170152280 /nfs/dbraw/zinc/15/22/80/170152280.db2.gz PLCSUUOLICWUIR-UHFFFAOYSA-N 0 0 275.307 3.957 50 30 CHEARN COc1ccc(/C=C/C(=O)C=C2SCCS2)cc1 ZINC000005916676 170155150 /nfs/dbraw/zinc/15/51/50/170155150.db2.gz JMFPBMBHZICPEB-GORDUTHDSA-N 0 0 278.398 3.599 50 30 CHEARN Cc1ccc(NCC(=O)Nc2ccccc2C#N)c(Cl)c1 ZINC000005938976 170159256 /nfs/dbraw/zinc/15/92/56/170159256.db2.gz KVDCUECCVUBQIF-UHFFFAOYSA-N 0 0 299.761 3.571 50 30 CHEARN C=CCN1C(=O)C(C)=C(C)[C@H]1c1cn(C)c2ccccc12 ZINC000006026056 170170009 /nfs/dbraw/zinc/17/00/09/170170009.db2.gz FTWRBUOPVTVKMU-KRWDZBQOSA-N 0 0 280.371 3.584 50 30 CHEARN O=C(/C=C/c1c(Cl)nc2sccn12)c1ccccc1 ZINC000006628307 170220545 /nfs/dbraw/zinc/22/05/45/170220545.db2.gz WNWLHTZTDJRTCP-VOTSOKGWSA-N 0 0 288.759 3.945 50 30 CHEARN Cc1[nH]c2ccc(C(=O)Nc3sccc3C#N)cc2c1C ZINC000006668875 170224349 /nfs/dbraw/zinc/22/43/49/170224349.db2.gz HUSMDSRYOXGLEH-UHFFFAOYSA-N 0 0 295.367 3.970 50 30 CHEARN C=CCOc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000006701008 170229412 /nfs/dbraw/zinc/22/94/12/170229412.db2.gz QTTXJVKOKHGORM-OKILXGFUSA-N 0 0 273.376 3.655 50 30 CHEARN C=CCOc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000006702045 170229685 /nfs/dbraw/zinc/22/96/85/170229685.db2.gz SKGYXULGIAWSLJ-UHFFFAOYSA-N 0 0 281.355 3.823 50 30 CHEARN C=CCOc1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000006703336 170230239 /nfs/dbraw/zinc/23/02/39/170230239.db2.gz FMIJMRQEJQJVMS-UHFFFAOYSA-N 0 0 267.328 3.812 50 30 CHEARN CCCc1cc(C(=O)Nc2ccccc2C#N)cs1 ZINC000006725979 170232755 /nfs/dbraw/zinc/23/27/55/170232755.db2.gz GCXJPRCKSJEZMM-UHFFFAOYSA-N 0 0 270.357 3.825 50 30 CHEARN C=C(C)COc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 ZINC000006747263 170239980 /nfs/dbraw/zinc/23/99/80/170239980.db2.gz UDMYBWJUGYTQSM-UHFFFAOYSA-N 0 0 292.338 3.765 50 30 CHEARN C=C(C)CSc1nnc(NC(=O)C2CCCCC2)s1 ZINC000006837384 170247869 /nfs/dbraw/zinc/24/78/69/170247869.db2.gz UQTKHGMNPDOGLE-UHFFFAOYSA-N 0 0 297.449 3.725 50 30 CHEARN C=CCSc1nnc(Nc2ccc(C)cc2)s1 ZINC000006831801 170247949 /nfs/dbraw/zinc/24/79/49/170247949.db2.gz QCXRGSCONVXCKQ-UHFFFAOYSA-N 0 0 263.391 3.868 50 30 CHEARN C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000006851225 170248983 /nfs/dbraw/zinc/24/89/83/170248983.db2.gz VZPDNNWZFRDUNQ-NSHDSACASA-N 0 0 284.746 3.703 50 30 CHEARN Cc1cc(C)cc(N[C@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000007240105 170273369 /nfs/dbraw/zinc/27/33/69/170273369.db2.gz CPESIFPMGJXWSE-CQSZACIVSA-N 0 0 293.370 3.614 50 30 CHEARN COc1ccc(Cl)cc1COc1cccc(C#N)c1 ZINC000007770171 170301397 /nfs/dbraw/zinc/30/13/97/170301397.db2.gz BWIHLXFSJVSYRV-UHFFFAOYSA-N 0 0 273.719 3.799 50 30 CHEARN C[C@@H](CC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000007777756 170301677 /nfs/dbraw/zinc/30/16/77/170301677.db2.gz LVRLCODWONCJHO-ZDUSSCGKSA-N 0 0 264.328 3.691 50 30 CHEARN O=C(/C=C/c1c(Cl)nc2ccccn12)c1ccc(O)cc1 ZINC000007785141 170302666 /nfs/dbraw/zinc/30/26/66/170302666.db2.gz ARVKRVHUCMKUKV-CMDGGOBGSA-N 0 0 298.729 3.589 50 30 CHEARN COc1ccc(COc2ccc(C#N)cc2Cl)cc1F ZINC000007856796 170305190 /nfs/dbraw/zinc/30/51/90/170305190.db2.gz ISPOSACLVYZJAE-UHFFFAOYSA-N 0 0 291.709 3.938 50 30 CHEARN COc1ccc2[nH]c(SCc3ccccc3C#N)nc2c1 ZINC000008131836 170319955 /nfs/dbraw/zinc/31/99/55/170319955.db2.gz RZVWDGHFZPYRHY-UHFFFAOYSA-N 0 0 295.367 3.735 50 30 CHEARN CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(O)c2)cc1 ZINC000008321627 170330839 /nfs/dbraw/zinc/33/08/39/170330839.db2.gz SBNCCEMUPIYIGH-ONNFQVAWSA-N 0 0 298.338 3.696 50 30 CHEARN COc1cc(C(=O)/C=C/c2cccc(Cl)c2)ccc1O ZINC000008322722 170330949 /nfs/dbraw/zinc/33/09/49/170330949.db2.gz BXUZIOGKWBZCGZ-FNORWQNLSA-N 0 0 288.730 3.950 50 30 CHEARN CCOc1ccc(/C=C/c2nc(C#N)c(NC3CC3)o2)cc1 ZINC000008323873 170331171 /nfs/dbraw/zinc/33/11/71/170331171.db2.gz RIGNBLLDVNDYHN-BJMVGYQFSA-N 0 0 295.342 3.690 50 30 CHEARN C=CCN1C(=S)N=NC1[C@@H](C)Oc1cccc(C)c1C ZINC000008320917 170331173 /nfs/dbraw/zinc/33/11/73/170331173.db2.gz KEZWXIDMLFPBLC-GFCCVEGCSA-N 0 0 289.404 3.510 50 30 CHEARN Cc1ccc(CCCNC(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000008404650 170335287 /nfs/dbraw/zinc/33/52/87/170335287.db2.gz IOEYXAYNHYUCPA-UHFFFAOYSA-N 0 0 292.382 3.538 50 30 CHEARN C[C@H](C#N)Sc1nnc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000008411280 170335342 /nfs/dbraw/zinc/33/53/42/170335342.db2.gz PYSIFXQRKWDRFM-XBVVOLJWSA-N 0 0 289.404 3.542 50 30 CHEARN CNC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000008692047 170345868 /nfs/dbraw/zinc/34/58/68/170345868.db2.gz GPOSVEDKCNWDCT-UHFFFAOYSA-N 0 0 268.691 3.686 50 30 CHEARN O=C1c2ccc(O)cc2O/C1=C\c1ccnc2ccccc12 ZINC000008792479 170355882 /nfs/dbraw/zinc/35/58/82/170355882.db2.gz OEDNZAYZPQLHRI-MFOYZWKCSA-N 0 0 289.290 3.557 50 30 biogenic CHEARN Cc1ccccc1CO/N=C\c1cccn1-c1nccs1 ZINC000008857205 170357897 /nfs/dbraw/zinc/35/78/97/170357897.db2.gz MUEQNAVKWQZQEI-WQRHYEAKSA-N 0 0 297.383 3.793 50 30 CHEARN Cc1c2ccc3ccccc3c2oc1C(=O)N(C)CCC#N ZINC000009256869 170369207 /nfs/dbraw/zinc/36/92/07/170369207.db2.gz NWBBXGUAGXKJTG-UHFFFAOYSA-N 0 0 292.338 3.880 50 30 CHEARN C=CCOc1ccccc1NC(=O)c1ccc(F)cc1 ZINC000009814919 170385921 /nfs/dbraw/zinc/38/59/21/170385921.db2.gz AWOKEYMLVKKOPI-UHFFFAOYSA-N 0 0 271.291 3.643 50 30 CHEARN C=CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000010035531 170396433 /nfs/dbraw/zinc/39/64/33/170396433.db2.gz MSDCJKDSIFLZBC-CYBMUJFWSA-N 0 0 266.772 3.522 50 30 CHEARN CCN(C(=S)NCc1ccccc1)c1ccccc1 ZINC000013685376 170578439 /nfs/dbraw/zinc/57/84/39/170578439.db2.gz IBKYVTXZVCHLTO-UHFFFAOYSA-N 0 0 270.401 3.999 50 30 CHEARN CC(C)(C)[C@@H]1CCc2nc(Cl)c(C#N)c(C#N)c2C1 ZINC000015107860 170657633 /nfs/dbraw/zinc/65/76/33/170657633.db2.gz ICKXMWQXKDCZMB-SECBINFHSA-N 0 0 273.767 3.629 50 30 CHEARN Cc1ccc(C#N)c(Oc2ccc(Br)cc2)n1 ZINC000016578522 170702399 /nfs/dbraw/zinc/70/23/99/170702399.db2.gz JOPCYUBFKCIGCQ-UHFFFAOYSA-N 0 0 289.132 3.817 50 30 CHEARN CCN(CC)c1ccc(/N=C/c2ccc([N+](=O)[O-])o2)cc1 ZINC000018107036 170742452 /nfs/dbraw/zinc/74/24/52/170742452.db2.gz KSMBRGBSUIRMHW-LFIBNONCSA-N 0 0 287.319 3.785 50 30 CHEARN Cc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)c(C)c1 ZINC000019797661 170870314 /nfs/dbraw/zinc/87/03/14/170870314.db2.gz SZXDYYWOLGTACQ-UHFFFAOYSA-N 0 0 277.371 3.698 50 30 CHEARN N#C[C@@H](NCCc1ccccc1)c1ccc(Cl)cc1 ZINC000020174277 171041559 /nfs/dbraw/zinc/04/15/59/171041559.db2.gz DYQZDEGDBKRBCS-MRXNPFEDSA-N 0 0 270.763 3.737 50 30 CHEARN CN=C(Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000020405180 171182503 /nfs/dbraw/zinc/18/25/03/171182503.db2.gz NMHQIVLGSJRYQF-UHFFFAOYSA-N 0 0 289.722 3.546 50 30 CHEARN CCCc1nc(NCc2ccco2)c(C#N)c2c1CCCC2 ZINC000020589030 171260433 /nfs/dbraw/zinc/26/04/33/171260433.db2.gz VXSJUSBFQCZDGK-UHFFFAOYSA-N 0 0 295.386 3.990 50 30 CHEARN Cc1noc2c1[C@@H](CC(C)C)C1=C(CCCC1=O)N2 ZINC000020730595 171271022 /nfs/dbraw/zinc/27/10/22/171271022.db2.gz GJJGIRZRXCAYPA-SNVBAGLBSA-N 0 0 260.337 3.545 50 30 CHEARN CC#CCn1ccc(-c2cccc(-c3ncccc3F)c2)n1 ZINC000020863706 171276596 /nfs/dbraw/zinc/27/65/96/171276596.db2.gz JFIADZVGHZSQLL-UHFFFAOYSA-N 0 0 291.329 3.775 50 30 CHEARN COc1cc(/C=C/C(=O)c2ccc(C)o2)cc(OC)c1 ZINC000022016453 171349549 /nfs/dbraw/zinc/34/95/49/171349549.db2.gz YFXMEPWNIPFVHS-AATRIKPKSA-N 0 0 272.300 3.501 50 30 CHEARN C#Cc1cccc(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000024690082 171439624 /nfs/dbraw/zinc/43/96/24/171439624.db2.gz UYYWVHGFTUEHPO-UHFFFAOYSA-N 0 0 270.719 3.965 50 30 CHEARN C[C@@H](Nc1ncccc1C#N)c1ccccc1OC(F)F ZINC000026718681 171496461 /nfs/dbraw/zinc/49/64/61/171496461.db2.gz JSBRHSXJBQERLV-SNVBAGLBSA-N 0 0 289.285 3.728 50 30 CHEARN C=CCNc1nc(-c2ccc3c(c2)CCCC(=O)N3)cs1 ZINC000030446865 171617072 /nfs/dbraw/zinc/61/70/72/171617072.db2.gz ZNEVFBVJGMNWRN-UHFFFAOYSA-N 0 0 299.399 3.683 50 30 CHEARN COCCNc1nc(C2CCCCC2)c2c(c1C#N)CCC2 ZINC000031809564 171647812 /nfs/dbraw/zinc/64/78/12/171647812.db2.gz PQTNQIHVPQHDJP-UHFFFAOYSA-N 0 0 299.418 3.548 50 30 CHEARN Cc1cccc(/C=C\C(=O)c2ccc3c(c2)OCO3)c1 ZINC000033472216 171804953 /nfs/dbraw/zinc/80/49/53/171804953.db2.gz ZERYUTWRXNLWRB-ALCCZGGFSA-N 0 0 266.296 3.620 50 30 CHEARN CC(C)CSc1nc(-c2ccncc2)ccc1C#N ZINC000035323970 172126034 /nfs/dbraw/zinc/12/60/34/172126034.db2.gz JXSUAVSIJNIJJD-UHFFFAOYSA-N 0 0 269.373 3.763 50 30 CHEARN N#Cc1ccccc1CNc1ccc(Cl)cc1F ZINC000040007936 174182700 /nfs/dbraw/zinc/18/27/00/174182700.db2.gz WEIYYBCNWIZESE-UHFFFAOYSA-N 0 0 260.699 3.963 50 30 CHEARN C[C@@H](NC(=O)C1(C#N)CCCC1)c1cccc(Cl)c1 ZINC000040468682 174277176 /nfs/dbraw/zinc/27/71/76/174277176.db2.gz DMXSWDSJVBSVGP-LLVKDONJSA-N 0 0 276.767 3.601 50 30 CHEARN CC(C)(C)n1cc(C#N)c2c1nccc2C(F)(F)F ZINC000040566680 174338017 /nfs/dbraw/zinc/33/80/17/174338017.db2.gz MZYMBYQKJOGFEE-UHFFFAOYSA-N 0 0 267.254 3.682 50 30 CHEARN CCOc1cccc(/C=N/c2ccc(F)cc2)c1O ZINC000044836017 175262819 /nfs/dbraw/zinc/26/28/19/175262819.db2.gz QECVLUROCYZRCW-LICLKQGHSA-N 0 0 259.280 3.681 50 30 CHEARN CC(C)=CCC[C@@H](C)OS(=O)(=O)c1ccc(C)cc1 ZINC000045071659 175301114 /nfs/dbraw/zinc/30/11/14/175301114.db2.gz YQUVVXHOSZUKBR-CQSZACIVSA-N 0 0 282.405 3.835 50 30 CHEARN COc1cc([O-])c(C(=O)/C=C/c2ccccc2)cc1Cl ZINC000071404776 176155177 /nfs/dbraw/zinc/15/51/77/176155177.db2.gz ZUQIWTATDRSBNN-BQYQJAHWSA-N 0 0 288.730 3.950 50 30 CHEARN CCOc1nc(Cl)c(C#N)c(-c2ccccc2)c1C#N ZINC000071415879 176160538 /nfs/dbraw/zinc/16/05/38/176160538.db2.gz SILZTAMGRXLTQI-UHFFFAOYSA-N 0 0 283.718 3.544 50 30 CHEARN C=C(Br)Cc1cc(F)c(F)c(F)c1 ZINC000071795271 176264575 /nfs/dbraw/zinc/26/45/75/176264575.db2.gz XRZRRDXYLFTKPN-UHFFFAOYSA-N 0 0 251.045 3.555 50 30 CHEARN CCCCCCCCNC(=O)c1ccc(OC)cc1 ZINC000002057660 260008468 /nfs/dbraw/zinc/00/84/68/260008468.db2.gz PFPZBGVQHQRDIK-UHFFFAOYSA-N 0 0 263.381 3.786 50 30 CHEARN O=C1CCCC1=CNc1ccc(Br)cc1F ZINC000002383289 260009083 /nfs/dbraw/zinc/00/90/83/260009083.db2.gz WQPQLYFPPHQPLT-FPLPWBNLSA-N 0 0 284.128 3.637 50 30 CHEARN CCCCc1ccc(C(=O)/C=C/c2cnn(C)c2)cc1 ZINC000032888146 260146192 /nfs/dbraw/zinc/14/61/92/260146192.db2.gz ZDRXGQHNEHVOBY-DHZHZOJOSA-N 0 0 268.360 3.659 50 30 CHEARN O=C1C[C@@H](Nc2cccc(F)c2)c2ccccc2C1=O ZINC000072422427 264268181 /nfs/dbraw/zinc/26/81/81/264268181.db2.gz KMUPWSSROGALOG-CQSZACIVSA-N 0 0 269.275 3.617 50 30 CHEARN N#C[C@@H](NC(=O)c1cccc(Cl)c1F)C1CCCCC1 ZINC000119101728 327863005 /nfs/dbraw/zinc/86/30/05/327863005.db2.gz SDBSBNVGZSDYQI-CYBMUJFWSA-N 0 0 294.757 3.681 50 30 CHEARN N#C[C@H](c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000037355475 326919092 /nfs/dbraw/zinc/91/90/92/326919092.db2.gz LKASVTNUQXFRLB-GFCCVEGCSA-N 0 0 255.148 3.654 50 30 CHEARN CC(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000169563971 328756364 /nfs/dbraw/zinc/75/63/64/328756364.db2.gz CWFGVWZPAUKMCC-UHFFFAOYSA-N 0 0 287.322 3.614 50 30 CHEARN N#CC[C@H]1C[C@H]2[C@H]3C[C@@H](CC#N)[C@@H]4[C@@H]5C=C[C@H]6[C@@H]1[C@H]2[C@@H]([C@@H]34)[C@H]65 ZINC000253614280 328757566 /nfs/dbraw/zinc/75/75/66/328757566.db2.gz OGHCMZRVEOKIBU-UEMWRVNYSA-N 0 0 290.410 3.626 50 30 CHEARN C=C(C)COc1ccc(C(=O)N2CCC[C@H]2CC)cc1 ZINC000055211790 518613371 /nfs/dbraw/zinc/61/33/71/518613371.db2.gz QGYPNCVWHRPSGI-OAHLLOKOSA-N 0 0 273.376 3.656 50 30 CHEARN C=CCC1(CC=C)CCCCN1C(=O)c1ccoc1 ZINC000055226004 518689650 /nfs/dbraw/zinc/68/96/50/518689650.db2.gz TUNBNNSGWWITED-UHFFFAOYSA-N 0 0 259.349 3.797 50 30 CHEARN C=CCN(Cc1ccccc1Cl)C(=O)c1cccnc1 ZINC000055393121 518786625 /nfs/dbraw/zinc/78/66/25/518786625.db2.gz DDVPIULMPLLSHX-UHFFFAOYSA-N 0 0 286.762 3.563 50 30 CHEARN CC#CC(=O)N1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000330032670 519329395 /nfs/dbraw/zinc/32/93/95/519329395.db2.gz QKHCDFCTYXWUJH-ABAIWWIYSA-N 0 0 295.304 3.638 50 30 CHEARN CCCCCCCC(=O)NCc1ccc(OC)cc1 ZINC000002573396 519963700 /nfs/dbraw/zinc/96/37/00/519963700.db2.gz SQMCKERNISPEBH-UHFFFAOYSA-N 0 0 263.381 3.672 50 30 CHEARN CCCNC(=CC(=O)c1ccccc1)c1ccccc1 ZINC000071772335 521697695 /nfs/dbraw/zinc/69/76/95/521697695.db2.gz FDUWNOTVXLXJLA-VKAVYKQESA-N 0 0 265.356 3.910 50 30 CHEARN COc1ccc(C(=O)C=CNc2cccc(C)c2)cc1OC ZINC000005006836 523538221 /nfs/dbraw/zinc/53/82/21/523538221.db2.gz RLDLZUVPKFWQFF-MDZDMXLPSA-N 0 0 297.354 3.821 50 30 CHEARN N#CC1(NC2CCCCC2)C2CC3CC(C2)CC1C3 ZINC000055026565 526438175 /nfs/dbraw/zinc/43/81/75/526438175.db2.gz DWRPXFXPUMARET-UHFFFAOYSA-N 0 0 258.409 3.627 50 30 CHEARN N#CCOc1ccccc1/C=C1\Sc2ccccc2C1=O ZINC000002766362 526476465 /nfs/dbraw/zinc/47/64/65/526476465.db2.gz LWPQMDATJLNFRS-WJDWOHSUSA-N 0 0 293.347 3.918 50 30 CHEARN N#CC(C(=O)NC1CCCCC1)=C(O)C=Cc1ccccc1 ZINC000058270077 526504697 /nfs/dbraw/zinc/50/46/97/526504697.db2.gz UKDZCYXUPSKIJE-LPQFERQCSA-N 0 0 296.370 3.698 50 30 CHEARN C=CC[C@H](NCc1ccco1)c1ccc(OC)cc1OC ZINC000000250565 527223150 /nfs/dbraw/zinc/22/31/50/527223150.db2.gz FHLRGWXVDDMYIT-INIZCTEOSA-N 0 0 287.359 3.704 50 30 CHEARN C=CCn1c(=S)[nH]nc1-c1ccc(OCC(C)C)cc1 ZINC000001299337 527287240 /nfs/dbraw/zinc/28/72/40/527287240.db2.gz FHUUEANBWIPYCU-UHFFFAOYSA-N 0 0 289.404 3.828 50 30 CHEARN CC[C@](C)(C#N)SC(=S)n1nc(C)c(Cl)c1C ZINC000526058678 570290471 /nfs/dbraw/zinc/29/04/71/570290471.db2.gz ZQXRXQYJDCRRGA-LLVKDONJSA-N 0 0 287.841 3.712 50 30 CHEARN Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)cs1 ZINC000001052002 566837794 /nfs/dbraw/zinc/83/77/94/566837794.db2.gz HSOLXLOCIQSUKA-UHFFFAOYSA-N 0 0 276.386 3.859 50 30 CHEARN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)[C@H]1CCCC(=O)N1 ZINC000329320546 566841150 /nfs/dbraw/zinc/84/11/50/566841150.db2.gz IYUYLHGSQZALQD-MELADBBJSA-N 0 0 278.396 3.668 50 30 CHEARN C[C@@H](CC#N)N(C)C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000078420093 566857948 /nfs/dbraw/zinc/85/79/48/566857948.db2.gz UWFCBRYSHBYQKH-HZSPNIEDSA-N 0 0 264.413 3.599 50 30 CHEARN C=C(C)COc1nc(C(C)C)c2c(c1C#N)CCC2 ZINC000032123852 566862844 /nfs/dbraw/zinc/86/28/44/566862844.db2.gz AHBPDVIAARXHCI-UHFFFAOYSA-N 0 0 256.349 3.520 50 30 biogenic CHEARN C=CCN(Cc1ccco1)C(=O)C1(c2ccccc2)CC1 ZINC000055326562 566869878 /nfs/dbraw/zinc/86/98/78/566869878.db2.gz QXPRXTHQRLMUHR-UHFFFAOYSA-N 0 0 281.355 3.526 50 30 CHEARN C=CCN(Cc1cccc(C)n1)Cc1ccccc1OC ZINC000055074463 566870039 /nfs/dbraw/zinc/87/00/39/566870039.db2.gz IDADIKIVJIJSEZ-UHFFFAOYSA-N 0 0 282.387 3.587 50 30 CHEARN C=CCN(CC=C)C(=O)c1cc(Cl)ccc1Cl ZINC000000060712 566897639 /nfs/dbraw/zinc/89/76/39/566897639.db2.gz BOAQUQGCNFKITA-UHFFFAOYSA-N 0 0 270.159 3.808 50 30 CHEARN CC(C)[C@@H](c1ccccc1)S(=O)(=O)OCC(C)(C)C ZINC000002165412 566912045 /nfs/dbraw/zinc/91/20/45/566912045.db2.gz WRIHAFNWLDGYKD-AWEZNQCLSA-N 0 0 284.421 3.776 50 30 CHEARN CCC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000012588309 566915638 /nfs/dbraw/zinc/91/56/38/566915638.db2.gz GQDGOHVEZIYAJL-BMRADRMJSA-N 0 0 269.304 3.821 50 30 CHEARN C=CCN(Cc1cccs1)C(=O)Nc1ccccc1 ZINC000021835810 566927298 /nfs/dbraw/zinc/92/72/98/566927298.db2.gz ILQMFGOKUQXBAN-UHFFFAOYSA-N 0 0 272.373 3.968 50 30 CHEARN Cc1cccc(NC(=O)ON=C(Cl)C(C)C)c1 ZINC000245255612 566969082 /nfs/dbraw/zinc/96/90/82/566969082.db2.gz JDHTWBLVIOBGGM-UHFFFAOYSA-N 0 0 254.717 3.752 50 30 CHEARN Cc1cccc(C2=CCN(C[C@@H](C#N)CCC#N)CC2)c1 ZINC000092821825 566970086 /nfs/dbraw/zinc/97/00/86/566970086.db2.gz DBTKCDGUOATRRV-MRXNPFEDSA-N 0 0 279.387 3.528 50 30 CHEARN CC1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000064438686 566976787 /nfs/dbraw/zinc/97/67/87/566976787.db2.gz AFPSZRYRPFYDPV-UHFFFAOYSA-N 0 0 285.778 3.996 50 30 CHEARN CC1(C)CC(=O)C(CC2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000004197937 566985438 /nfs/dbraw/zinc/98/54/38/566985438.db2.gz LAGNNAWSJPPMCH-UHFFFAOYSA-N 0 0 292.375 3.779 50 30 CHEARN N#C[C@H](CC1CC1)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000170595809 567012635 /nfs/dbraw/zinc/01/26/35/567012635.db2.gz NNJSPGMVUDDDKI-LBPRGKRZSA-N 0 0 295.342 3.584 50 30 CHEARN C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3C=C[C@]21C ZINC000254015101 567046688 /nfs/dbraw/zinc/04/66/88/567046688.db2.gz CCCIJQPRIXGQOE-MANSERQUSA-N 0 0 284.399 3.719 50 30 CHEARN COc1cccc(C=Nc2cc(C)cc(C)c2)c1O ZINC000252461202 567051222 /nfs/dbraw/zinc/05/12/22/567051222.db2.gz LFJUAEXQVJSJGX-UHFFFAOYSA-N 0 0 255.317 3.768 50 30 CHEARN Cc1cccc(NC(=S)NN=Cc2ccccc2C)c1 ZINC000252460022 567052117 /nfs/dbraw/zinc/05/21/17/567052117.db2.gz AZBKLGLUVCRIQG-UHFFFAOYSA-N 0 0 283.400 3.624 50 30 CHEARN C=CCc1cccc(C=Nc2ccc3nccnc3c2)c1O ZINC000252462586 567052493 /nfs/dbraw/zinc/05/24/93/567052493.db2.gz UMVMEHSXZQMRKX-UHFFFAOYSA-N 0 0 289.338 3.815 50 30 CHEARN CCOc1ccc(/N=C/c2ccc3c(c2)OCO3)cc1 ZINC000002171309 567056357 /nfs/dbraw/zinc/05/63/57/567056357.db2.gz BDYURPHWKSBOIF-LICLKQGHSA-N 0 0 269.300 3.565 50 30 CHEARN Cc1ccccc1NN=C(C#N)C(=O)c1ccccc1Cl ZINC000252603893 567065232 /nfs/dbraw/zinc/06/52/32/567065232.db2.gz FTWKHOHJRRYQRY-UHFFFAOYSA-N 0 0 297.745 3.823 50 30 CHEARN Cc1cccc2c(N[C@@H](C)c3ccc(C#N)cc3)ncnc12 ZINC000170673418 567065238 /nfs/dbraw/zinc/06/52/38/567065238.db2.gz KUZCTPMLFHXKFE-ZDUSSCGKSA-N 0 0 288.354 3.983 50 30 CHEARN COc1ccc(N=Cc2cc(Cl)ccc2O)cc1OC ZINC000252617762 567068153 /nfs/dbraw/zinc/06/81/53/567068153.db2.gz KZSPKNZRBKAHBU-UHFFFAOYSA-N 0 0 291.734 3.813 50 30 CHEARN O=C(/C=C\c1ccccc1)ON=Cc1ccc(Cl)cc1 ZINC000252618586 567068231 /nfs/dbraw/zinc/06/82/31/567068231.db2.gz LHYGNEPQWCAIKH-RUXKJSJCSA-N 0 0 285.730 3.931 50 30 CHEARN N#Cc1c(F)cccc1N1CCC(c2nccs2)CC1 ZINC000241720875 567069675 /nfs/dbraw/zinc/06/96/75/567069675.db2.gz QSYUOQFZCBXNIY-UHFFFAOYSA-N 0 0 287.363 3.538 50 30 CHEARN N#CCC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCC1 ZINC000375919919 567069981 /nfs/dbraw/zinc/06/99/81/567069981.db2.gz BGAGXMXPNZUEJB-AWEZNQCLSA-N 0 0 296.292 3.576 50 30 CHEARN C#Cc1c(F)cc(OCc2ccc(OC)cc2)cc1F ZINC000095704988 567091411 /nfs/dbraw/zinc/09/14/11/567091411.db2.gz HOVHGNMJKMEESN-UHFFFAOYSA-N 0 0 274.266 3.534 50 30 CHEARN COc1ccc(/C=C2\Oc3c(ccc(OC)c3C)C2=O)cc1 ZINC000012879340 567116595 /nfs/dbraw/zinc/11/65/95/567116595.db2.gz GZIQZGYERFODSL-YBEGLDIGSA-N 0 0 296.322 3.628 50 30 biogenic CHEARN O=C1c2ccccc2S/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000013306591 567118282 /nfs/dbraw/zinc/11/82/82/567118282.db2.gz PXHMYYSWROYWBS-NTEUORMPSA-N 0 0 283.308 3.924 50 30 CHEARN CCc1c(C)sc(NC(=O)c2cc(C)oc2C)c1C#N ZINC000013327570 567120117 /nfs/dbraw/zinc/12/01/17/567120117.db2.gz SVPUANDZCLBIIH-UHFFFAOYSA-N 0 0 288.372 3.953 50 30 CHEARN N#CC1(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CCCC1 ZINC000079727074 567125442 /nfs/dbraw/zinc/12/54/42/567125442.db2.gz BALSTSFOVSDDRK-UHFFFAOYSA-N 0 0 295.342 3.728 50 30 CHEARN Cc1ncc(NC(=O)c2cc(F)c(F)c(F)c2)s1 ZINC000330032867 567125894 /nfs/dbraw/zinc/12/58/94/567125894.db2.gz SMQSCPGQCCWWDP-UHFFFAOYSA-N 0 0 272.251 3.505 50 30 CHEARN Cc1cc(C)cc(CCC(=O)c2ccc(C#N)cc2)c1 ZINC000002517688 567129215 /nfs/dbraw/zinc/12/92/15/567129215.db2.gz OAONDAMFZTWAOH-UHFFFAOYSA-N 0 0 263.340 3.991 50 30 CHEARN Cc1ccccc1NC(=O)CCSc1ccccc1C#N ZINC000095425978 567130973 /nfs/dbraw/zinc/13/09/73/567130973.db2.gz YILVJOWFMPDWRS-UHFFFAOYSA-N 0 0 296.395 3.988 50 30 CHEARN CCOc1ccc(/C=C2/COc3ccccc3C2=O)cc1 ZINC000096305136 567141260 /nfs/dbraw/zinc/14/12/60/567141260.db2.gz ORHQOZFGNLRQAQ-KAMYIIQDSA-N 0 0 280.323 3.744 50 30 CHEARN CCCC[C@H](CC)CC(=O)[C@@H](C#N)c1nc(C)cc(C)n1 ZINC000096409741 567143076 /nfs/dbraw/zinc/14/30/76/567143076.db2.gz QONVWUAJIGXNQZ-LSDHHAIUSA-N 0 0 287.407 3.876 50 30 CHEARN Cc1ccccc1C1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000096405773 567143303 /nfs/dbraw/zinc/14/33/03/567143303.db2.gz IVUXFFNPABSSGL-MRXNPFEDSA-N 0 0 281.403 3.618 50 30 CHEARN Cc1cc(C)c(C(=O)COc2ccccc2C#N)cc1C ZINC000002657194 567150834 /nfs/dbraw/zinc/15/08/34/567150834.db2.gz ZSJFWAXBMVUTPQ-UHFFFAOYSA-N 0 0 279.339 3.745 50 30 CHEARN Cc1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC000002647235 567151345 /nfs/dbraw/zinc/15/13/45/567151345.db2.gz XWPQKSMVCAEWIB-UHFFFAOYSA-N 0 0 282.368 3.598 50 30 CHEARN N#Cc1cc(Br)ccc1OCc1ccccc1 ZINC000002885338 567152427 /nfs/dbraw/zinc/15/24/27/567152427.db2.gz PEIVFKIPZRHNDR-UHFFFAOYSA-N 0 0 288.144 3.900 50 30 CHEARN Cc1ccsc1C(=O)Nc1sc(C)c(C)c1C#N ZINC000002772232 567152614 /nfs/dbraw/zinc/15/26/14/567152614.db2.gz GAWKYUZQZOJMFF-UHFFFAOYSA-N 0 0 276.386 3.859 50 30 CHEARN N#Cc1cccc(OCc2ccc(Br)cc2)c1 ZINC000002883137 567152927 /nfs/dbraw/zinc/15/29/27/567152927.db2.gz NXAQGAGXVWWKJP-UHFFFAOYSA-N 0 0 288.144 3.900 50 30 CHEARN CC(C)Cc1nc(C#N)c(NCc2ccc(F)c(F)c2)o1 ZINC000227155046 567156500 /nfs/dbraw/zinc/15/65/00/567156500.db2.gz BANTXXKJDLZYGG-UHFFFAOYSA-N 0 0 291.301 3.635 50 30 CHEARN COc1ccc([C@H](C)/N=C/c2ccccc2O)cc1 ZINC000057411860 567156522 /nfs/dbraw/zinc/15/65/22/567156522.db2.gz FZPWOAXJSZHEHP-OOIIIRTPSA-N 0 0 255.317 3.581 50 30 CHEARN C=CCNc1nc(-c2cccs2)nc2ccccc21 ZINC000003404392 567172251 /nfs/dbraw/zinc/17/22/51/567172251.db2.gz UJAYXCOTDJCIOA-UHFFFAOYSA-N 0 0 267.357 3.956 50 30 CHEARN N#Cc1cccc(C(=O)Nc2cccc3ccccc32)c1 ZINC000003518800 567175549 /nfs/dbraw/zinc/17/55/49/567175549.db2.gz FRSZNOKCOZZHAS-UHFFFAOYSA-N 0 0 272.307 3.964 50 30 CHEARN C=CCCC(=O)N[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000670448122 567177532 /nfs/dbraw/zinc/17/75/32/567177532.db2.gz OLNBISUNZAURKZ-ZDUSSCGKSA-N 0 0 283.371 3.992 50 30 CHEARN Cn1c(Cl)c(/C=N/OC(=O)C(C)(C)C)c2ccccc21 ZINC000004051499 567184951 /nfs/dbraw/zinc/18/49/51/567184951.db2.gz DIZJQGMLZSNNDB-RQZCQDPDSA-N 0 0 292.766 3.755 50 30 CHEARN CO/N=C/c1c(-c2ccc(Cl)cc2)nc2cc(C)ccn21 ZINC000004024639 567185030 /nfs/dbraw/zinc/18/50/30/567185030.db2.gz YJLVYJJAZZQYEL-VCHYOVAHSA-N 0 0 299.761 3.943 50 30 CHEARN COc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000004280222 567193141 /nfs/dbraw/zinc/19/31/41/567193141.db2.gz OAJAFWHLVBVKQH-NYYWCZLTSA-N 0 0 256.276 3.730 50 30 biogenic CHEARN C[C@H]1C/C(=C\c2cccn2C)C(=O)/C(=C\c2cccn2C)C1 ZINC000245296694 567200523 /nfs/dbraw/zinc/20/05/23/567200523.db2.gz OSWJIKQLNKDUSD-YXFRMVIDSA-N 0 0 294.398 3.830 50 30 CHEARN COc1ccccc1/C=C/C=C/C(=O)c1cccnc1 ZINC000071855200 567207026 /nfs/dbraw/zinc/20/70/26/567207026.db2.gz HJXRBRYSAKMACM-YZDOREHGSA-N 0 0 265.312 3.543 50 30 CHEARN COc1cc(/C=N/c2ccc(F)cc2)cc(OC)c1OC ZINC000000079156 567817724 /nfs/dbraw/zinc/81/77/24/567817724.db2.gz JXQGHUZUXKDNSY-VCHYOVAHSA-N 0 0 289.306 3.602 50 30 CHEARN C/C(=N\OC(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000000092234 567818081 /nfs/dbraw/zinc/81/80/81/567818081.db2.gz BGNBKLYYHQTVOY-DJKKODMXSA-N 0 0 293.244 3.685 50 30 CHEARN O=C(OC1=C(Cl)C(=O)CCC1)c1ccccc1Cl ZINC000000149087 567820299 /nfs/dbraw/zinc/82/02/99/567820299.db2.gz CEMUUUWAVLRFHB-UHFFFAOYSA-N 0 0 285.126 3.700 50 30 CHEARN CCN(CC)c1ccc(/N=C/c2ccc(O)cc2)cc1 ZINC000000173984 567821495 /nfs/dbraw/zinc/82/14/95/567821495.db2.gz CTGUHJWZWPATNB-QGOAFFKASA-N 0 0 268.360 3.989 50 30 CHEARN COc1ccc(CNC(=S)Nc2ccccc2)cc1 ZINC000000258056 567823178 /nfs/dbraw/zinc/82/31/78/567823178.db2.gz KYYMYUIAHXUHIT-UHFFFAOYSA-N 0 0 272.373 3.593 50 30 CHEARN COc1cccc(/C=N/c2cc(C)ccc2C)c1O ZINC000000273826 567823533 /nfs/dbraw/zinc/82/35/33/567823533.db2.gz QKRYJUSDORXLKY-LICLKQGHSA-N 0 0 255.317 3.768 50 30 CHEARN C[C@@]1(c2ccccc2)OC(=O)[C@H](C#N)C12CCCCC2 ZINC000000289524 567824097 /nfs/dbraw/zinc/82/40/97/567824097.db2.gz IBWRSXPLRFQYDT-HOCLYGCPSA-N 0 0 269.344 3.549 50 30 CHEARN CCOc1ccccc1/C=N/c1ccc(C)cc1O ZINC000000297267 567824230 /nfs/dbraw/zinc/82/42/30/567824230.db2.gz BFAYQPONUTUEAE-GZTJUZNOSA-N 0 0 255.317 3.850 50 30 CHEARN CCOC(=O)c1ccc(NC=CC(=O)c2ccccc2)cc1 ZINC000000296007 567824432 /nfs/dbraw/zinc/82/44/32/567824432.db2.gz ZBXKMWVNOQQKLF-OUKQBFOZSA-N 0 0 295.338 3.672 50 30 CHEARN CSC(=CC(=O)c1ccco1)[C@H](C)C(=O)c1ccco1 ZINC000000344284 567825916 /nfs/dbraw/zinc/82/59/16/567825916.db2.gz CGSPMRHKGSMVIM-ADVUTCEVSA-N 0 0 290.340 3.821 50 30 CHEARN Cc1ccc(C(=O)N2c3ccccc3C=C[C@H]2C#N)cc1 ZINC000000478165 567832558 /nfs/dbraw/zinc/83/25/58/567832558.db2.gz XDWWHAZSPYDPLI-INIZCTEOSA-N 0 0 274.323 3.561 50 30 CHEARN CC(C)c1ccc(/C=N/c2cccc(C(N)=O)c2)cc1 ZINC000000561361 567833594 /nfs/dbraw/zinc/83/35/94/567833594.db2.gz DRVZRJXJVWLWAC-YBFXNURJSA-N 0 0 266.344 3.660 50 30 CHEARN Cc1ccc(/C=N/c2cccc([N+](=O)[O-])c2C)cc1 ZINC000000561324 567833707 /nfs/dbraw/zinc/83/37/07/567833707.db2.gz CCYJOKOENPUCIK-MHWRWJLKSA-N 0 0 254.289 3.962 50 30 CHEARN CC1=C(CC(=O)c2cccs2)C(=O)c2ccccc2C1=O ZINC000001383106 567836983 /nfs/dbraw/zinc/83/69/83/567836983.db2.gz GVELRLRVXCMVJD-UHFFFAOYSA-N 0 0 296.347 3.717 50 30 CHEARN O=C(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F ZINC000001675560 567841017 /nfs/dbraw/zinc/84/10/17/567841017.db2.gz UKYZDGAVBNKBPQ-UHFFFAOYSA-N 0 0 274.135 3.702 50 30 CHEARN Fc1ccc(NC(=S)N/N=C/C=C/c2ccccc2)cc1 ZINC000002597713 567848869 /nfs/dbraw/zinc/84/88/69/567848869.db2.gz ZPLAUJASMZNAJP-ZTKKEOLVSA-N 0 0 299.374 3.811 50 30 CHEARN CCc1ccc(-n2c(C)cc(C(=O)CC#N)c2C)cc1 ZINC000003289245 567852005 /nfs/dbraw/zinc/85/20/05/567852005.db2.gz NBZMKXURKAFORS-UHFFFAOYSA-N 0 0 266.344 3.753 50 30 CHEARN N#CC(C#N)[C@@H](CC(=O)c1cccs1)c1ccccc1 ZINC000003898597 567854174 /nfs/dbraw/zinc/85/41/74/567854174.db2.gz YNOJQWPBNUHADO-AWEZNQCLSA-N 0 0 280.352 3.768 50 30 CHEARN CC(=CC(=O)c1ccccc1)Nc1ccc(O)cc1C ZINC000004674119 567858859 /nfs/dbraw/zinc/85/88/59/567858859.db2.gz TXNGNFVGKJLBML-ACCUITESSA-N 0 0 267.328 3.899 50 30 CHEARN C[S@@](=N)(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000013466368 567861632 /nfs/dbraw/zinc/86/16/32/567861632.db2.gz DFZZDATYDOFVGL-HXUWFJFHSA-N 0 0 290.319 3.525 50 30 CHEARN CCCOc1ccc(C(C)=O)cc1CSCCC#N ZINC000004327533 567861903 /nfs/dbraw/zinc/86/19/03/567861903.db2.gz DPNIKXYNZQXKBP-UHFFFAOYSA-N 0 0 277.389 3.825 50 30 CHEARN CC(C)(C)c1ccc(/C=C2/C(=O)C3CCN2CC3)cc1 ZINC000012368757 567862507 /nfs/dbraw/zinc/86/25/07/567862507.db2.gz FKNRNAOCQXKYEJ-VBKFSLOCSA-N 0 0 269.388 3.620 50 30 CHEARN C=CCn1c(SCc2ccccc2F)nnc1C1CC1 ZINC000004345234 567863502 /nfs/dbraw/zinc/86/35/02/567863502.db2.gz HMXOSOJLVOPAKV-UHFFFAOYSA-N 0 0 289.379 3.773 50 30 CHEARN O=[N+]([O-])c1ccc(F)c(/N=C/c2cccs2)c1 ZINC000013115147 567864755 /nfs/dbraw/zinc/86/47/55/567864755.db2.gz OKAJPZPOWWDYPO-NTUHNPAUSA-N 0 0 250.254 3.546 50 30 CHEARN CC(C)c1ccc(/C=N/N=C2/c3ccccc3NC2=O)cc1 ZINC000004412058 567864947 /nfs/dbraw/zinc/86/49/47/567864947.db2.gz SMMBSCORKDMDQB-YBFXNURJSA-N 0 0 291.354 3.585 50 30 CHEARN COc1cc(NC=C(C(C)=O)c2ccccc2)cc(OC)c1 ZINC000013119336 567864987 /nfs/dbraw/zinc/86/49/87/567864987.db2.gz FMYWSDMFFLZXRQ-LDADJPATSA-N 0 0 297.354 3.746 50 30 CHEARN Cc1cc(C)c(/N=C2/c3ccccc3NC2=O)c(C)c1 ZINC000013511511 567866350 /nfs/dbraw/zinc/86/63/50/567866350.db2.gz JEYHFTVXKOVCAF-UHFFFAOYSA-N 0 0 264.328 3.685 50 30 CHEARN CCOc1ccc(NC(=S)NCc2ccco2)cc1 ZINC000013556176 567866598 /nfs/dbraw/zinc/86/65/98/567866598.db2.gz DSSWDIISKIJCKO-UHFFFAOYSA-N 0 0 276.361 3.576 50 30 CHEARN COc1ccc(/C=C\C(=O)/C=C\c2ccc(OC)cc2)cc1 ZINC000004577466 567871455 /nfs/dbraw/zinc/87/14/55/567871455.db2.gz IOZVKDXPBWBUKY-UIYSNZQUSA-N 0 0 294.350 4.000 50 30 CHEARN O=C(/C=C/c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000016406608 567872705 /nfs/dbraw/zinc/87/27/05/567872705.db2.gz AXGFLBXACOBKOU-VOTSOKGWSA-N 0 0 259.286 3.552 50 30 CHEARN CCC[C@@H]1/C(=N\O)C[C@H](c2ccco2)N[C@@H]1c1ccco1 ZINC000016671714 567873495 /nfs/dbraw/zinc/87/34/95/567873495.db2.gz JMOPJIQNJJMZHQ-DPGBYQNNSA-N 0 0 288.347 3.895 50 30 CHEARN COc1ccc(NC(C)=CC(=O)c2ccc(OC)cc2)cc1 ZINC000018202277 567876807 /nfs/dbraw/zinc/87/68/07/567876807.db2.gz BXSQXEQHVLGFAF-OUKQBFOZSA-N 0 0 297.354 3.902 50 30 CHEARN C=CC(C)(C)[C@@H]1Nc2ccccc2[C@H]1CCCCO ZINC000012381795 567881123 /nfs/dbraw/zinc/88/11/23/567881123.db2.gz CFWDENGKAQIHGO-GDBMZVCRSA-N 0 0 259.393 3.939 50 30 CHEARN N#CCc1ccc(NC(=O)CCc2ccccc2Cl)cc1 ZINC000028437341 567883668 /nfs/dbraw/zinc/88/36/68/567883668.db2.gz SLTFGTOTNPQSPH-UHFFFAOYSA-N 0 0 298.773 3.977 50 30 CHEARN CCCCCCCNc1nc(Cl)nc(NCCC)n1 ZINC000003099663 567885273 /nfs/dbraw/zinc/88/52/73/567885273.db2.gz OJQAVCRFBOAKFZ-UHFFFAOYSA-N 0 0 285.823 3.729 50 30 CHEARN C=CCN(Cc1ccco1)C(=O)c1ccc2cc[nH]c2c1 ZINC000067690607 567886446 /nfs/dbraw/zinc/88/64/46/567886446.db2.gz QDWWDWQLJRHNEQ-UHFFFAOYSA-N 0 0 280.327 3.589 50 30 CHEARN N#C[C@H]1C=Cc2ccccc2N1C(=O)c1c(F)cccc1F ZINC000042784399 567891983 /nfs/dbraw/zinc/89/19/83/567891983.db2.gz PODFWEHPONGBPM-GFCCVEGCSA-N 0 0 296.276 3.531 50 30 CHEARN N#Cc1ccc(COC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004648678 567897705 /nfs/dbraw/zinc/89/77/05/567897705.db2.gz NCQSJCMASLHBEZ-UHFFFAOYSA-N 0 0 295.382 3.818 50 30 CHEARN COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1 ZINC000057435313 567904270 /nfs/dbraw/zinc/90/42/70/567904270.db2.gz GSYZBGLCWYTFPM-RUDMXATFSA-N 0 0 274.266 3.870 50 30 CHEARN C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000023081473 567905511 /nfs/dbraw/zinc/90/55/11/567905511.db2.gz GYVGOVFTWYJOQO-CYBMUJFWSA-N 0 0 299.345 3.882 50 30 CHEARN CC(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000023175886 567906477 /nfs/dbraw/zinc/90/64/77/567906477.db2.gz QHJJXKQSCIFPAM-CMDGGOBGSA-N 0 0 271.341 3.603 50 30 CHEARN CCCCCCCNc1c2nonc2ccc1[N+](=O)[O-] ZINC000033353188 567907761 /nfs/dbraw/zinc/90/77/61/567907761.db2.gz JEPDTLCJOJWYSB-UHFFFAOYSA-N 0 0 278.312 3.513 50 30 CHEARN C=C(C)COc1ccc2oc(C)c(C(=O)OCC)c2c1 ZINC000000083668 567907791 /nfs/dbraw/zinc/90/77/91/567907791.db2.gz VVPSZZRECFOKRD-UHFFFAOYSA-N 0 0 274.316 3.873 50 30 biogenic CHEARN N#Cc1ccc([N+](=O)[O-])cc1SCc1ccccc1 ZINC000000089090 567908718 /nfs/dbraw/zinc/90/87/18/567908718.db2.gz UOGBLHSENOPHFV-UHFFFAOYSA-N 0 0 270.313 3.759 50 30 CHEARN CCCCN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1 ZINC000095264878 567909030 /nfs/dbraw/zinc/90/90/30/567909030.db2.gz NHMMAEHDXJGRMT-UHFFFAOYSA-N 0 0 279.339 3.505 50 30 CHEARN Cc1ccc(C(=O)/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000000093982 567909056 /nfs/dbraw/zinc/90/90/56/567909056.db2.gz RMKPITNNXIMAJW-MHWRWJLKSA-N 0 0 295.363 3.806 50 30 CHEARN F[C@H](OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000095678388 567909553 /nfs/dbraw/zinc/90/95/53/567909553.db2.gz CUTPKDUMZWIJKT-PVQJCKRUSA-N 0 0 286.040 3.651 50 30 CHEARN C=CCN(CC=C)c1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC000000098717 567910530 /nfs/dbraw/zinc/91/05/30/567910530.db2.gz XMQGCHIKAUFRFN-GFCCVEGCSA-N 0 0 299.443 3.995 50 30 CHEARN CC(C)COc1ccc(/C(=N\O)c2ccccc2)cc1 ZINC000100298582 567912632 /nfs/dbraw/zinc/91/26/32/567912632.db2.gz LOZKEOXUVYADAV-ZCXUNETKSA-N 0 0 269.344 3.948 50 30 CHEARN CCCCCCCCCCCCCC(=O)NC(N)=O ZINC000100814414 567913908 /nfs/dbraw/zinc/91/39/08/567913908.db2.gz QNXPPHJWXBMIBO-UHFFFAOYSA-N 0 0 270.417 3.882 50 30 CHEARN O=C1C=C(NCc2ccccc2)C[C@@H](c2ccccc2)C1 ZINC000100937817 567914326 /nfs/dbraw/zinc/91/43/26/567914326.db2.gz AKCVUCHSNYTTJR-QGZVFWFLSA-N 0 0 277.367 3.807 50 30 CHEARN Cc1ccc(-c2cc(C#N)c(NC(=O)C(C)C)o2)cc1 ZINC000000144036 567923741 /nfs/dbraw/zinc/92/37/41/567923741.db2.gz PXEPOSRQJHOHDA-UHFFFAOYSA-N 0 0 268.316 3.721 50 30 CHEARN CC(C)=CC(=O)CC(O)(c1ccccc1)c1ccccc1 ZINC000000185319 567924854 /nfs/dbraw/zinc/92/48/54/567924854.db2.gz IGQLSYIWHPQCAH-UHFFFAOYSA-N 0 0 280.367 3.848 50 30 CHEARN O=C(Nc1ccccc1)O/N=C/c1ccccc1Cl ZINC000000231706 567925555 /nfs/dbraw/zinc/92/55/55/567925555.db2.gz HFMWTCUMCWUXMW-MHWRWJLKSA-N 0 0 274.707 3.923 50 30 CHEARN COc1cccc(C(C)N=NC(=S)Nc2ccccc2)c1 ZINC000011990346 567928797 /nfs/dbraw/zinc/92/87/97/567928797.db2.gz BATGOKCRBFVQAG-LDADJPATSA-N 0 0 299.399 3.817 50 30 CHEARN CC(N=NC(=S)Nc1ccccc1)c1ccc(O)cc1 ZINC000011990343 567928950 /nfs/dbraw/zinc/92/89/50/567928950.db2.gz JZBIOJLCXVTMDP-BOPFTXTBSA-N 0 0 285.372 3.514 50 30 CHEARN C=CCC(CC=C)(C(=O)OCC)C(=O)c1ccccc1 ZINC000002160282 567929423 /nfs/dbraw/zinc/92/94/23/567929423.db2.gz MYMAFPKAEXVZOB-UHFFFAOYSA-N 0 0 272.344 3.571 50 30 CHEARN C=CCOCCn1c2ccccc2c2ccccc21 ZINC000002314299 567931744 /nfs/dbraw/zinc/93/17/44/567931744.db2.gz ZOSGYGMDUMVYPT-UHFFFAOYSA-N 0 0 251.329 3.997 50 30 CHEARN Cc1cc2c(cc1C(=O)/C=C/N(C)C)NC(C)(C)C[C@@H]2C ZINC000584906180 567938429 /nfs/dbraw/zinc/93/84/29/567938429.db2.gz GYHLZLLIKPLNDU-GWJCSSMESA-N 0 0 286.419 3.951 50 30 CHEARN O=C(C1=C(O)C(=Cc2cccc(O)c2)CCC1)C(F)(F)F ZINC000101525186 567941179 /nfs/dbraw/zinc/94/11/79/567941179.db2.gz HHAHQKPPDRWHNC-QRVYLYQGSA-N 0 0 298.260 3.903 50 30 CHEARN Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1C ZINC000000514045 567941749 /nfs/dbraw/zinc/94/17/49/567941749.db2.gz MKJCQDJJXNLMOR-UHFFFAOYSA-N 0 0 296.395 3.978 50 30 CHEARN N#Cc1nc(-c2ccco2)oc1NCc1ccc(F)cc1 ZINC000000541424 567942804 /nfs/dbraw/zinc/94/28/04/567942804.db2.gz BINUMOPTLUZTGS-UHFFFAOYSA-N 0 0 283.262 3.557 50 30 CHEARN CO[P@](=O)(C#CC(C)(C)C)[C@@H](O)c1ccc(F)cc1 ZINC000000547425 567942978 /nfs/dbraw/zinc/94/29/78/567942978.db2.gz NKTJBGHVZOODSW-BFUOFWGJSA-N 0 0 284.267 3.748 50 30 CHEARN O=C1C=C(Nc2nc[nH]n2)C[C@@H](c2ccc(Cl)cc2)C1 ZINC000104150589 567943528 /nfs/dbraw/zinc/94/35/28/567943528.db2.gz GDRFAWIGPPWIBX-RTEFUZQYSA-N 0 0 288.738 3.550 50 30 CHEARN CCOc1ccc(C(=O)C=CNc2ccc(C#N)cc2)cc1 ZINC000051318807 567944505 /nfs/dbraw/zinc/94/45/05/567944505.db2.gz RPRDOAPJOABFEJ-VAWYXSNFSA-N 0 0 292.338 3.765 50 30 CHEARN Cc1c(F)cccc1NC=CC(=O)c1ccc2c(c1)OCO2 ZINC000044842862 567946048 /nfs/dbraw/zinc/94/60/48/567946048.db2.gz MKPPSZVKQZCZAR-BQYQJAHWSA-N 0 0 299.301 3.671 50 30 CHEARN N#CCCCOc1cccc(/C=C/c2ccncc2C#N)c1 ZINC000390834683 567948183 /nfs/dbraw/zinc/94/81/83/567948183.db2.gz OGVMVDPNOIDPPF-VOTSOKGWSA-N 0 0 289.338 3.806 50 30 CHEARN C#Cc1cccc(NC(=O)c2cc(C)c(C)s2)c1 ZINC000032900730 567948697 /nfs/dbraw/zinc/94/86/97/567948697.db2.gz WBYNKYUMXHFVIW-UHFFFAOYSA-N 0 0 255.342 3.599 50 30 CHEARN C=CCOc1ccc(Cl)cc1C[NH2+]C1CCCC1 ZINC000002861440 567948741 /nfs/dbraw/zinc/94/87/41/567948741.db2.gz WVTFAEBZWNGAAQ-UHFFFAOYSA-N 0 0 265.784 3.937 50 30 CHEARN N#Cc1ccc(C(=O)CSc2nc3ccccc3o2)cc1 ZINC000014166642 570260646 /nfs/dbraw/zinc/26/06/46/570260646.db2.gz YDSDRPXTFFZYQA-UHFFFAOYSA-N 0 0 294.335 3.674 50 30 CHEARN N#Cc1ccc(Oc2nccc(C(F)(F)F)n2)c(Cl)c1 ZINC000024054870 570265022 /nfs/dbraw/zinc/26/50/22/570265022.db2.gz LVINJKOJJHOONE-UHFFFAOYSA-N 0 0 299.639 3.813 50 30 CHEARN COc1ccc(C(=O)C=CNc2ccc(C)cc2)cc1OC ZINC000102965164 570285830 /nfs/dbraw/zinc/28/58/30/570285830.db2.gz DXKDNISFROZHRU-KHPPLWFESA-N 0 0 297.354 3.821 50 30 CHEARN C=CCSCC(=O)Nc1ccc(-c2ccccc2)cn1 ZINC000048747285 570299184 /nfs/dbraw/zinc/29/91/84/570299184.db2.gz DHEXUQTYYKTYFD-UHFFFAOYSA-N 0 0 284.384 3.606 50 30 CHEARN CC(=O)c1cc(Cl)ccc1OCc1ccccc1C#N ZINC000018465918 570301703 /nfs/dbraw/zinc/30/17/03/570301703.db2.gz YHDKMTCUEFWWMU-UHFFFAOYSA-N 0 0 285.730 3.993 50 30 CHEARN CC(C)(C#N)c1ccc(-c2nccnc2N2CCCC2)cc1 ZINC000215367395 570302869 /nfs/dbraw/zinc/30/28/69/570302869.db2.gz NUCBVSDKDPMVLX-UHFFFAOYSA-N 0 0 292.386 3.545 50 30 CHEARN C#CCCCCCC(=O)N(C)[C@@H](C)c1ccc(OC)cc1 ZINC000096001666 570317272 /nfs/dbraw/zinc/31/72/72/570317272.db2.gz QSOAOLSKTHSPQX-HNNXBMFYSA-N 0 0 287.403 3.798 50 30 CHEARN N#CCc1cc(Cl)c(Cl)cc1OC(F)F ZINC000263625111 570325681 /nfs/dbraw/zinc/32/56/81/570325681.db2.gz WVYMYFLKJIESNJ-UHFFFAOYSA-N 0 0 252.047 3.661 50 30 CHEARN CCOc1cccc(/C=C/C(=O)c2ccccc2)c1 ZINC000032107549 570332312 /nfs/dbraw/zinc/33/23/12/570332312.db2.gz LZBNFKMJNPRXGU-VAWYXSNFSA-N 0 0 252.313 3.981 50 30 CHEARN O=C(Nc1cccc(C#Cc2ccccc2)c1)c1ccco1 ZINC000012746434 570334300 /nfs/dbraw/zinc/33/43/00/570334300.db2.gz BEIUPCXOFHSONF-UHFFFAOYSA-N 0 0 287.318 3.932 50 30 CHEARN N#Cc1ccc(Oc2ncnc3cc(Cl)ccc32)cc1 ZINC000015524952 570336970 /nfs/dbraw/zinc/33/69/70/570336970.db2.gz QNSUISKJTMFNBZ-UHFFFAOYSA-N 0 0 281.702 3.947 50 30 CHEARN C=CCNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000003908519 570337715 /nfs/dbraw/zinc/33/77/15/570337715.db2.gz OVIFYKHPSNKVNL-UHFFFAOYSA-N 0 0 297.141 3.564 50 30 CHEARN C=C(C)COc1ccc(NC(=O)Cc2cccc(F)c2)cc1 ZINC000012137895 570339459 /nfs/dbraw/zinc/33/94/59/570339459.db2.gz YIYVQEGIADDONY-UHFFFAOYSA-N 0 0 299.345 3.962 50 30 CHEARN C#C[C@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1OC2(C)C ZINC000012384168 570339776 /nfs/dbraw/zinc/33/97/76/570339776.db2.gz XJYIHLZPVJZAOI-UKPHBRMFSA-N 0 0 256.345 3.717 50 30 biogenic CHEARN C=CCn1c([C@@H](C)Oc2ccc(F)cc2F)n[nH]c1=S ZINC000013321197 570340168 /nfs/dbraw/zinc/34/01/68/570340168.db2.gz AIAPXESGIAPXLF-MRVPVSSYSA-N 0 0 297.330 3.545 50 30 CHEARN CC[C@@](C)(C#N)SC(=S)n1nc(C)c(Cl)c1C ZINC000526058679 570345600 /nfs/dbraw/zinc/34/56/00/570345600.db2.gz ZQXRXQYJDCRRGA-NSHDSACASA-N 0 0 287.841 3.712 50 30 CHEARN C=CCN1C(=S)N=NC1[C@@H](C)Oc1ccccc1Cl ZINC000017023905 570345610 /nfs/dbraw/zinc/34/56/10/570345610.db2.gz KFMDXJPUPSOPCM-SECBINFHSA-N 0 0 295.795 3.546 50 30 CHEARN C=CCNC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000026518073 570346771 /nfs/dbraw/zinc/34/67/71/570346771.db2.gz QXKGOTSTRICNKZ-MRVPVSSYSA-N 0 0 273.163 3.540 50 30 CHEARN COC(=O)c1ccc(/C=C2\CCc3ccccc3C2=O)cc1 ZINC000001637669 570348818 /nfs/dbraw/zinc/34/88/18/570348818.db2.gz FHICXGSYUQUFCN-FOWTUZBSSA-N 0 0 292.334 3.686 50 30 CHEARN N#CCCCOc1cccc(/C=C/C(=O)c2cccnc2)c1 ZINC000065594238 570362616 /nfs/dbraw/zinc/36/26/16/570362616.db2.gz HTRPBRJMYDCHLX-CMDGGOBGSA-N 0 0 292.338 3.660 50 30 CHEARN CSC1=N/C(=C\c2c(C)cc(C)cc2C)C(=O)S1 ZINC000000462061 570369754 /nfs/dbraw/zinc/36/97/54/570369754.db2.gz WRALDMHFBFESNO-GHXNOFRVSA-N 0 0 277.414 3.945 50 30 CHEARN C=CCCSc1nc(C)c(Cc2ccccc2)[nH]1 ZINC000170635122 570370036 /nfs/dbraw/zinc/37/00/36/570370036.db2.gz UOEHEPFDPNOPPZ-UHFFFAOYSA-N 0 0 258.390 3.977 50 30 CHEARN CSc1nc(-c2ccc(F)cc2)c(C)cc1C#N ZINC000000377164 570387829 /nfs/dbraw/zinc/38/78/29/570387829.db2.gz LEIGXWALGVGNPK-UHFFFAOYSA-N 0 0 258.321 3.790 50 30 CHEARN Cc1ccc(NC(=O)Oc2ccc(C#N)cc2)c(C)c1 ZINC000000398070 570388154 /nfs/dbraw/zinc/38/81/54/570388154.db2.gz HNIUUKUKRVXVMT-UHFFFAOYSA-N 0 0 266.300 3.786 50 30 CHEARN Cc1sc(NC(=O)[C@@H]2CC=CCC2)c(C#N)c1C ZINC000013015172 570391101 /nfs/dbraw/zinc/39/11/01/570391101.db2.gz AOABKQAUTAYAND-LLVKDONJSA-N 0 0 260.362 3.531 50 30 CHEARN N#Cc1cc(Cl)c(Br)cc1Cl ZINC000067802597 570391658 /nfs/dbraw/zinc/39/16/58/570391658.db2.gz KUWYYTMBHHOQHS-UHFFFAOYSA-N 0 0 250.910 3.628 50 30 CHEARN CC(=O)c1cc(C#N)c(SCCc2ccccc2)nc1C ZINC000012808537 570395838 /nfs/dbraw/zinc/39/58/38/570395838.db2.gz XLXSJPCSECBYPN-UHFFFAOYSA-N 0 0 296.395 3.799 50 30 CHEARN Cc1ccc(SCCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000002635742 570397288 /nfs/dbraw/zinc/39/72/88/570397288.db2.gz OTNDWVGWNWSPFN-UHFFFAOYSA-N 0 0 296.395 3.988 50 30 CHEARN Cc1ccc(C[C@@H](CS)NC(=O)OC(C)(C)C)cc1C ZINC000685950781 570406115 /nfs/dbraw/zinc/40/61/15/570406115.db2.gz ZDBGAMLETDZBJK-AWEZNQCLSA-N 0 0 295.448 3.669 50 30 CHEARN C=C(C)CNc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000070816434 570404564 /nfs/dbraw/zinc/40/45/64/570404564.db2.gz XQKSKRQNLNLCSK-UHFFFAOYSA-N 0 0 296.370 3.936 50 30 CHEARN CCCCn1c2ccccc2nc1[C@@H](C)OCCC#N ZINC000027792431 570409199 /nfs/dbraw/zinc/40/91/99/570409199.db2.gz MWBCVHXURUDAGX-CYBMUJFWSA-N 0 0 271.364 3.828 50 30 CHEARN C=CCc1ccc(OC(=O)c2ccccc2)c(OC)c1 ZINC000000519080 574411065 /nfs/dbraw/zinc/41/10/65/574411065.db2.gz ZOGNBLKDKPCKGB-UHFFFAOYSA-N 0 0 268.312 3.643 50 30 endogenous,in-man CHEARN N#Cc1cc(Cl)c(Br)c(Cl)c1 ZINC000036532735 1125621921 /nfs/dbraw/zinc/62/19/21/1125621921.db2.gz YNSCSZAITFCOOW-UHFFFAOYSA-N 0 0 250.910 3.628 50 30 CHEARN C=CCO[C@@H](C)C(=O)N[C@@H](CCC)c1ccc(F)cc1F ZINC000079102275 1125751847 /nfs/dbraw/zinc/75/18/47/1125751847.db2.gz QCTMVCOXTNQULM-NHYWBVRUSA-N 0 0 297.345 3.513 50 30 CHEARN CN=c1scc(-c2cccs2)n1N=Cc1ccccc1 ZINC000254735072 1127152302 /nfs/dbraw/zinc/15/23/02/1127152302.db2.gz PTZGFMMYKBYHER-UHFFFAOYSA-N 0 0 299.424 3.691 50 30 CHEARN Cc1ccccc1NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000010216147 1127760791 /nfs/dbraw/zinc/76/07/91/1127760791.db2.gz BJRVBIBDSNKDTI-ZHACJKMWSA-N 0 0 262.312 3.519 50 30 CHEARN COc1ccc(C(=O)/C=C\c2ccccc2F)c(OC)c1 ZINC000033391503 1128518459 /nfs/dbraw/zinc/51/84/59/1128518459.db2.gz DDEGWQCQTFQKBQ-YFHOEESVSA-N 0 0 286.302 3.739 50 30 CHEARN N#CCSc1ccsc1C(=O)Nc1ccc(F)cc1 ZINC000003047307 1117885210 /nfs/dbraw/zinc/88/52/10/1117885210.db2.gz CJHXFUVDTRNCRD-UHFFFAOYSA-N 0 0 292.360 3.755 50 30 CHEARN N#Cc1cnccc1/C=C\c1c(C2CC2)nc2sccn12 ZINC000349107757 1118193948 /nfs/dbraw/zinc/19/39/48/1118193948.db2.gz KNXSYICJRVBBJC-ARJAWSKDSA-N 0 0 292.367 3.710 50 30 CHEARN CC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccccc1 ZINC000016310260 1118249553 /nfs/dbraw/zinc/24/95/53/1118249553.db2.gz SEFKCLCYHBLHMG-UHFFFAOYSA-N 0 0 268.341 3.794 50 30 CHEARN Cc1ncsc1C(=O)/C=C/c1cc(C)c(O)c(C)c1 ZINC000071800058 1118292682 /nfs/dbraw/zinc/29/26/82/1118292682.db2.gz CTERKKPOBBJQNG-SNAWJCMRSA-N 0 0 273.357 3.670 50 30 CHEARN CCN(CC)c1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000000043975 1120121862 /nfs/dbraw/zinc/12/18/62/1120121862.db2.gz XONJKKJNPBFWFF-UHFFFAOYSA-N 0 0 278.359 3.514 50 30 CHEARN C[C@H]1CCCCC1=NNC(=S)Nc1ccccc1 ZINC000013136342 1120678328 /nfs/dbraw/zinc/67/83/28/1120678328.db2.gz MQUIDKFTZLXHED-NSHDSACASA-N 0 0 261.394 3.539 50 30 CHEARN Cn1nc(C2CCCCC2)cc1NCc1ccc(C#N)cc1 ZINC000125462159 1120767206 /nfs/dbraw/zinc/76/72/06/1120767206.db2.gz BBELZDWHDPHERR-UHFFFAOYSA-N 0 0 294.402 3.952 50 30 CHEARN CSc1ccc(C=NNc2nc3ccccc3[nH]2)cc1 ZINC000254846675 1121021105 /nfs/dbraw/zinc/02/11/05/1121021105.db2.gz ZWXMLXFFEHWMAM-UHFFFAOYSA-N 0 0 282.372 3.731 50 30 CHEARN Cc1cccc(NC(=O)Oc2ccc(C#N)cc2)c1C ZINC000000396754 1121452526 /nfs/dbraw/zinc/45/25/26/1121452526.db2.gz HPCSLCBLBDAHDJ-UHFFFAOYSA-N 0 0 266.300 3.786 50 30 CHEARN Cc1cc(C(=O)Nc2ccccc2C#N)c2ccccc2n1 ZINC000000920292 1121638637 /nfs/dbraw/zinc/63/86/37/1121638637.db2.gz UPQPLQWSXTZAQG-UHFFFAOYSA-N 0 0 287.322 3.667 50 30 CHEARN COc1ccc(C(C)=NNc2ccc(Cl)cc2)c(O)c1 ZINC000606346859 1121666031 /nfs/dbraw/zinc/66/60/31/1121666031.db2.gz IMYPDVBRSJTSBX-UHFFFAOYSA-N 0 0 290.750 3.890 50 30 CHEARN C=CCCC(=O)N[C@@H](C)Cc1csc2ccccc12 ZINC000618256082 1121701387 /nfs/dbraw/zinc/70/13/87/1121701387.db2.gz CUAFVMABQSERMA-LBPRGKRZSA-N 0 0 273.401 3.915 50 30 CHEARN C[C@H](Sc1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000015316342 1122815484 /nfs/dbraw/zinc/81/54/84/1122815484.db2.gz LYXSWDHPWNKCPF-LBPRGKRZSA-N 0 0 282.368 3.678 50 30 CHEARN C=CCSCC(=O)Nc1ccc2ccccc2c1 ZINC000039315711 1122857890 /nfs/dbraw/zinc/85/78/90/1122857890.db2.gz CTLDGUOWUFLJSN-UHFFFAOYSA-N 0 0 257.358 3.698 50 30 CHEARN CN=C(Nc1ccc(Cl)cc1F)c1cccs1 ZINC000025573337 1123575198 /nfs/dbraw/zinc/57/51/98/1123575198.db2.gz JKQSZJVCNRTQNI-UHFFFAOYSA-N 0 0 268.744 3.838 50 30 CHEARN N#CCC1(COc2ccc(Oc3cccnc3)cc2)CC1 ZINC000596284978 1123786900 /nfs/dbraw/zinc/78/69/00/1123786900.db2.gz IDOHFJBPQULSPM-UHFFFAOYSA-N 0 0 280.327 3.947 50 30 CHEARN CSc1cc(-c2cc3ccccc3o2)oc(=O)c1C#N ZINC000001617030 1124804703 /nfs/dbraw/zinc/80/47/03/1124804703.db2.gz DYBANZPZJWBXCI-UHFFFAOYSA-N 0 0 283.308 3.647 50 30 CHEARN Cc1cc(C=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000000258603 1125421890 /nfs/dbraw/zinc/42/18/90/1125421890.db2.gz DHPZPLNTUVUGSR-UHFFFAOYSA-N 0 0 284.384 3.719 50 30 CHEARN COc1ccc(C#N)c(SCc2ccccc2)c1 ZINC000003672449 1125434239 /nfs/dbraw/zinc/43/42/39/1125434239.db2.gz XKORWKDFERVRPZ-UHFFFAOYSA-N 0 0 255.342 3.859 50 30 CHEARN CC(=NNC(=S)NCc1ccccc1)C1CCCCC1 ZINC000263625810 1125455357 /nfs/dbraw/zinc/45/53/57/1125455357.db2.gz PHMKYEVZMYSAFQ-UHFFFAOYSA-N 0 0 289.448 3.607 50 30 CHEARN COc1ccc(/C=C\C(=O)c2ccc(C)o2)cc1C ZINC000096019442 1129503945 /nfs/dbraw/zinc/50/39/45/1129503945.db2.gz JFLNLLXXYFCADZ-ALCCZGGFSA-N 0 0 256.301 3.801 50 30 CHEARN CCCCc1ccc(C(=O)/C=C\c2cnn(C)c2)cc1 ZINC000096939802 1129577009 /nfs/dbraw/zinc/57/70/09/1129577009.db2.gz ZDRXGQHNEHVOBY-FLIBITNWSA-N 0 0 268.360 3.659 50 30 CHEARN COc1ccc(C(=O)/C=C\c2ccsc2)cc1OC ZINC000097993090 1129636091 /nfs/dbraw/zinc/63/60/91/1129636091.db2.gz KBBSZYWIHSMLAK-HYXAFXHYSA-N 0 0 274.341 3.661 50 30 CHEARN CNN=C1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000254300850 1129682664 /nfs/dbraw/zinc/68/26/64/1129682664.db2.gz SBVFQTNRIXLYNI-BMFAXAFESA-N 0 0 298.430 3.824 50 30 CHEARN C(=NNC1=NCCCCC1)c1cccc2ccccc12 ZINC000254706335 1129705873 /nfs/dbraw/zinc/70/58/73/1129705873.db2.gz PRZMVUUOCJPUOI-UHFFFAOYSA-N 0 0 265.360 3.736 50 30 CHEARN Cc1ccc(N=Cc2ccc3c(c2)OCO3)cc1F ZINC000254792112 1129710547 /nfs/dbraw/zinc/71/05/47/1129710547.db2.gz SGJDKYNTAJEYNZ-UHFFFAOYSA-N 0 0 257.264 3.613 50 30 CHEARN O=C(/C=C\c1ccc(OC(F)F)cc1)c1ccncc1 ZINC000221984288 1131499163 /nfs/dbraw/zinc/49/91/63/1131499163.db2.gz BIOGHONFIQDEBD-UTCJRWHESA-N 0 0 275.254 3.579 50 30 CHEARN CC(C)Cn1cncc1CNc1nc(C(C)C)ccc1C#N ZINC000952860847 1132014453 /nfs/dbraw/zinc/01/44/53/1132014453.db2.gz UTJIJDCVWFNDSW-UHFFFAOYSA-N 0 0 297.406 3.541 50 30 CHEARN COc1ccc(OC)c(-c2nc3c(cc2C#N)CCCC3)c1 ZINC000952970077 1132016381 /nfs/dbraw/zinc/01/63/81/1132016381.db2.gz HEHWVPIHDWGMHJ-UHFFFAOYSA-N 0 0 294.354 3.516 50 30 CHEARN C[C@@H](NC(=O)/C=C\c1ccc(C#N)cc1)c1cccs1 ZINC000096585404 230385970 /nfs/dbraw/zinc/38/59/70/230385970.db2.gz QAQHBFCXFMJSMR-JLVNDZCYSA-N 0 0 282.368 3.510 50 30 CHEARN CCOc1ccccc1/C=C\C(=O)c1cccc(O)c1 ZINC000096792659 230386109 /nfs/dbraw/zinc/38/61/09/230386109.db2.gz FCWTUYPLFDKASY-KHPPLWFESA-N 0 0 268.312 3.687 50 30 CHEARN N#Cc1c(Br)cccc1N1CCCCCC1 ZINC000095495729 184999018 /nfs/dbraw/zinc/99/90/18/184999018.db2.gz PFOLTHPOEJJYAZ-UHFFFAOYSA-N 0 0 279.181 3.701 50 30 CHEARN Cc1nc(-c2cccc(F)c2)sc1C(=O)/C=C/N(C)C ZINC000095921819 185031755 /nfs/dbraw/zinc/03/17/55/185031755.db2.gz IVVLMOLIVDDTPU-BQYQJAHWSA-N 0 0 290.363 3.516 50 30 CHEARN C#CC[C@@H](OC(=O)CCc1ccsc1)C(C)(C)C ZINC000095942828 185037057 /nfs/dbraw/zinc/03/70/57/185037057.db2.gz ZFKATAOUUKZLHT-CYBMUJFWSA-N 0 0 264.390 3.662 50 30 CHEARN N#Cc1ccc(/C=C\C(=O)c2c(F)cccc2F)cc1 ZINC000096766334 185111894 /nfs/dbraw/zinc/11/18/94/185111894.db2.gz XSIGJOCQLHWJIJ-HJWRWDBZSA-N 0 0 269.250 3.733 50 30 CHEARN C[C@H](c1ccccc1)N(C)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000096858987 185117375 /nfs/dbraw/zinc/11/73/75/185117375.db2.gz QDLABUQOVVUGAM-WIDZWVOGSA-N 0 0 290.366 3.791 50 30 CHEARN O=C(/C=C\c1cnn(-c2ccccc2)c1)c1cccs1 ZINC000096891321 185125099 /nfs/dbraw/zinc/12/50/99/185125099.db2.gz JTYYZOZKBPDILC-HJWRWDBZSA-N 0 0 280.352 3.830 50 30 CHEARN O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1ccccc1 ZINC000001640468 136393097 /nfs/dbraw/zinc/39/30/97/136393097.db2.gz BHTNQNVXCJXJKH-UHFFFAOYSA-N 0 0 293.366 3.911 50 30 CHEARN CCOc1cccc(/C=C\C(=O)c2ccc(C#N)cc2)c1 ZINC000097147119 185549188 /nfs/dbraw/zinc/54/91/88/185549188.db2.gz OIMSAXSQSRQKJD-FLIBITNWSA-N 0 0 277.323 3.853 50 30 CHEARN O=C1c2ccccc2CC/C1=C/c1csc([N+](=O)[O-])c1 ZINC000084581785 178900653 /nfs/dbraw/zinc/90/06/53/178900653.db2.gz RYXAMBISGULLIS-GHXNOFRVSA-N 0 0 285.324 3.869 50 30 CHEARN COc1ccccc1NC=C1Sc2ccccc2C1=O ZINC000100557164 185720587 /nfs/dbraw/zinc/72/05/87/185720587.db2.gz NHGINHAPHVXLIU-XNTDXEJSSA-N 0 0 283.352 3.937 50 30 CHEARN Cc1cc(/N=C/c2cccc([N+](=O)[O-])c2)cc(C)c1O ZINC000103612032 185852200 /nfs/dbraw/zinc/85/22/00/185852200.db2.gz XWLMNHNNJIEBLV-CXUHLZMHSA-N 0 0 270.288 3.668 50 30 CHEARN C=CCSc1nc2cc(Br)ccc2[nH]1 ZINC000213001004 189689838 /nfs/dbraw/zinc/68/98/38/189689838.db2.gz DQDQPDBPQCJJHN-UHFFFAOYSA-N 0 0 269.167 3.604 50 30 CHEARN N#Cc1ccc(-c2cn3ccc(Cl)cc3n2)cc1 ZINC000260083237 190038764 /nfs/dbraw/zinc/03/87/64/190038764.db2.gz QJKRNHYEMFUSGT-UHFFFAOYSA-N 0 0 253.692 3.526 50 30 CHEARN C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3CC(=O)[C@@H]4O[C@@H]4[C@@]3(C)[C@H]1CC2 ZINC000257345535 190037668 /nfs/dbraw/zinc/03/76/68/190037668.db2.gz AELKZYLQKXEYRL-RFUAYJEFSA-N 0 0 288.431 3.976 50 30 CHEARN CSc1sc(-c2cc[nH]n2)c(-c2ccco2)c1C#N ZINC000000149648 169554832 /nfs/dbraw/zinc/55/48/32/169554832.db2.gz AWQPAIKDTHDIOF-UHFFFAOYSA-N 0 0 287.369 3.992 50 30 CHEARN Cc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000000162528 169559355 /nfs/dbraw/zinc/55/93/55/169559355.db2.gz RFTKKJMESXPXLC-UHFFFAOYSA-N 0 0 297.741 3.937 50 30 CHEARN O=C1/C(=C/c2ccc(O)cc2)CC/C1=C/c1ccc(O)cc1 ZINC000000174938 169564566 /nfs/dbraw/zinc/56/45/66/169564566.db2.gz YSEMBYWAAKOCKW-UKVBVZPVSA-N 0 0 292.334 3.928 50 30 CHEARN COc1ccc2c(c1)CC/C(=C/c1cccs1)C2=O ZINC000000214454 169577459 /nfs/dbraw/zinc/57/74/59/169577459.db2.gz SUDXHEBZHUWWCA-BENRWUELSA-N 0 0 270.353 3.969 50 30 CHEARN CC(C)C[C@@H](C#N)OC(=O)c1ccc(Br)cc1 ZINC000000338960 169610762 /nfs/dbraw/zinc/61/07/62/169610762.db2.gz GZEKXQISSXNPAI-LBPRGKRZSA-N 0 0 296.164 3.544 50 30 CHEARN C[C@](C#N)(Nc1ccc(Cl)cc1)c1cccnc1 ZINC000000344077 169612478 /nfs/dbraw/zinc/61/24/78/169612478.db2.gz YEOUXKVULIAPOZ-CQSZACIVSA-N 0 0 257.724 3.586 50 30 CHEARN N#Cc1ccc(-c2nc(-c3c(F)cccc3F)no2)cc1 ZINC000000426177 169637654 /nfs/dbraw/zinc/63/76/54/169637654.db2.gz YTHPMQNFEFMABN-UHFFFAOYSA-N 0 0 283.237 3.553 50 30 CHEARN C=C(C)COc1ccc2c(CC)cc(=O)oc2c1C ZINC000000452946 169644555 /nfs/dbraw/zinc/64/45/55/169644555.db2.gz UDDAUZMDZDUXOH-UHFFFAOYSA-N 0 0 258.317 3.619 50 30 CHEARN O=C1c2ccccc2OC/C1=C\c1cccc(Cl)c1 ZINC000004089054 184531253 /nfs/dbraw/zinc/53/12/53/184531253.db2.gz LFDFZOZXPJDQMU-XYOKQWHBSA-N 0 0 270.715 3.999 50 30 CHEARN C=C(C)[C@@H]1C=C2CC3(CC[C@@]2(C)[C@H](C#N)C1)OCCO3 ZINC000006293585 256746578 /nfs/dbraw/zinc/74/65/78/256746578.db2.gz VHVPWZSMFUDSIL-VNQPRFMTSA-N 0 0 273.376 3.582 50 30 CHEARN COc1ccc(/C=N/c2ccc(C)cc2)cc1OC ZINC000000576581 169672098 /nfs/dbraw/zinc/67/20/98/169672098.db2.gz NXIZYRIJQVDBOZ-GZTJUZNOSA-N 0 0 255.317 3.763 50 30 CHEARN CCOc1ccc(/C=N/c2ccc(NC(C)=O)cc2)cc1 ZINC000000587538 169673351 /nfs/dbraw/zinc/67/33/51/169673351.db2.gz FIZADCZMMFJJNY-LDADJPATSA-N 0 0 282.343 3.794 50 30 CHEARN CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1C(C)C ZINC000001454637 169706613 /nfs/dbraw/zinc/70/66/13/169706613.db2.gz IOOUVEOPQBAIHS-UHFFFAOYSA-N 0 0 293.366 3.894 50 30 CHEARN C=CCOc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000002836304 169836129 /nfs/dbraw/zinc/83/61/29/169836129.db2.gz CBYLVXLDYKIACW-UHFFFAOYSA-N 0 0 297.354 3.902 50 30 CHEARN CCc1ccc(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000003287100 169875495 /nfs/dbraw/zinc/87/54/95/169875495.db2.gz HTUQOABOABCYTK-CYBMUJFWSA-N 0 0 279.339 3.771 50 30 CHEARN Cc1c2ccccc2oc1C(=O)Nc1ccc(C#N)cc1 ZINC000003294173 169875954 /nfs/dbraw/zinc/87/59/54/169875954.db2.gz GZAXHWLBAOVHDE-UHFFFAOYSA-N 0 0 276.295 3.865 50 30 CHEARN N#Cc1ccc(COC(=O)CCSc2ccccc2)cc1 ZINC000003289812 169875957 /nfs/dbraw/zinc/87/59/57/169875957.db2.gz PVCHALAZUVOGSF-UHFFFAOYSA-N 0 0 297.379 3.784 50 30 CHEARN O=C1C=C(Nc2cccc(C(F)(F)F)c2)CCC1 ZINC000004235208 169947029 /nfs/dbraw/zinc/94/70/29/169947029.db2.gz BUOMXIHBKTWMPR-UHFFFAOYSA-N 0 0 255.239 3.754 50 30 CHEARN C#CCn1c2ccccc2nc1COc1ccc(C)cc1 ZINC000004385623 169963923 /nfs/dbraw/zinc/96/39/23/169963923.db2.gz LFOKSECCKWIMRR-UHFFFAOYSA-N 0 0 276.339 3.557 50 30 CHEARN CN(C)c1ccc(/C=C/C(=O)[C@@H]2C[C@H](CC#N)C2(C)C)cc1 ZINC000004478059 169970871 /nfs/dbraw/zinc/97/08/71/169970871.db2.gz MABQUJOTXRTTCV-FIEKWJHISA-N 0 0 296.414 3.911 50 30 CHEARN C/C(=N/N=C/c1ccc(N(C)C)cc1)c1ccccc1 ZINC000004706693 170002358 /nfs/dbraw/zinc/00/23/58/170002358.db2.gz TZAMHKUTURYHSL-QBSYBSNLSA-N 0 0 265.360 3.596 50 30 CHEARN C=CCc1ccccc1OCc1nc2ccccc2[nH]1 ZINC000004755206 170011919 /nfs/dbraw/zinc/01/19/19/170011919.db2.gz MGRPWACLJDUFMT-UHFFFAOYSA-N 0 0 264.328 3.870 50 30 CHEARN C(=CN=Nc1ccc2ccccc2n1)Cc1ccco1 ZINC000004761635 170013548 /nfs/dbraw/zinc/01/35/48/170013548.db2.gz RFPOXKPLZXSSQX-SJHWCDFESA-N 0 0 263.300 3.939 50 30 CHEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(Cl)cc2)cc1 ZINC000004887591 170036361 /nfs/dbraw/zinc/03/63/61/170036361.db2.gz ITRKTPLUSFATHF-OQLLNIDSSA-N 0 0 275.695 3.694 50 30 CHEARN C[C@@]1(C(=O)/C=C/c2ccccc2)O[C@@H]1c1ccccc1 ZINC000004898811 170037691 /nfs/dbraw/zinc/03/76/91/170037691.db2.gz BUFDWJZETKCZNJ-QJPGBWLHSA-N 0 0 264.324 3.799 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1NCc1cccc(Cl)c1 ZINC000004905614 170039126 /nfs/dbraw/zinc/03/91/26/170039126.db2.gz POHYLVZZTXDKEW-UHFFFAOYSA-N 0 0 287.706 3.732 50 30 CHEARN Cc1ccc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1C ZINC000004905415 170039219 /nfs/dbraw/zinc/03/92/19/170039219.db2.gz CFUNYGBRRNOMCI-UHFFFAOYSA-N 0 0 267.288 3.827 50 30 CHEARN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccccc1F ZINC000004948405 170044409 /nfs/dbraw/zinc/04/44/09/170044409.db2.gz DUSJMFFLGIMECR-GXDHUFHOSA-N 0 0 298.342 3.717 50 30 CHEARN O=C(C=CNc1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000005061416 170062729 /nfs/dbraw/zinc/06/27/29/170062729.db2.gz WGAUFRDFFWTYMF-FPLPWBNLSA-N 0 0 291.709 3.993 50 30 CHEARN Cc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005128196 170068797 /nfs/dbraw/zinc/06/87/97/170068797.db2.gz SBRXCTYIGBXNJY-IZZDOVSWSA-N 0 0 267.284 3.799 50 30 CHEARN Cc1ccc2cccc(OCc3ccc(C#N)cc3)c2n1 ZINC000005198560 170075604 /nfs/dbraw/zinc/07/56/04/170075604.db2.gz KXNKOUPKYBEVRH-UHFFFAOYSA-N 0 0 274.323 3.994 50 30 CHEARN COc1cc(C#N)ccc1OCc1ccc(SC)cc1 ZINC000005198592 170075688 /nfs/dbraw/zinc/07/56/88/170075688.db2.gz JAVJPSHDUPXODY-UHFFFAOYSA-N 0 0 285.368 3.868 50 30 CHEARN COc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1 ZINC000005217292 170077002 /nfs/dbraw/zinc/07/70/02/170077002.db2.gz VZTOKLPSOAOMQW-DHZHZOJOSA-N 0 0 252.313 3.900 50 30 CHEARN N#Cc1ccc(-c2ccc(Oc3cnccn3)cc2)cc1 ZINC000005262203 170080781 /nfs/dbraw/zinc/08/07/81/170080781.db2.gz LTGAVMCAHMFZEQ-UHFFFAOYSA-N 0 0 273.295 3.808 50 30 CHEARN CCOc1cccc(/C=N/c2ccc(F)cc2C)c1O ZINC000005289740 170083787 /nfs/dbraw/zinc/08/37/87/170083787.db2.gz KTUXEVJASRLBKS-VCHYOVAHSA-N 0 0 273.307 3.989 50 30 CHEARN C=CCSc1nnc(-c2ccccc2SC)o1 ZINC000005362268 170089590 /nfs/dbraw/zinc/08/95/90/170089590.db2.gz VAQRDUCPLVESOO-UHFFFAOYSA-N 0 0 264.375 3.737 50 30 CHEARN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C#N)c(C)c1 ZINC000005476005 170102607 /nfs/dbraw/zinc/10/26/07/170102607.db2.gz RVBPVUMAQKCJKO-CQSZACIVSA-N 0 0 294.354 3.581 50 30 CHEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O ZINC000005764665 170138501 /nfs/dbraw/zinc/13/85/01/170138501.db2.gz ANBGMESOEGNAEE-IUXPMGMMSA-N 0 0 293.322 3.653 50 30 biogenic CHEARN N#C[C@@H](C(=O)c1ccccc1)c1nc2ccccc2s1 ZINC000005772885 170139269 /nfs/dbraw/zinc/13/92/69/170139269.db2.gz YCMDTQIVYYCSBJ-LBPRGKRZSA-N 0 0 278.336 3.786 50 30 CHEARN C=CCN1C(=O)C(C)=C(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000006026059 170169914 /nfs/dbraw/zinc/16/99/14/170169914.db2.gz FTWRBUOPVTVKMU-QGZVFWFLSA-N 0 0 280.371 3.584 50 30 CHEARN Cc1ccc(C)c(OCCC(=O)Nc2cccc(C#N)c2)c1 ZINC000006287537 170188204 /nfs/dbraw/zinc/18/82/04/170188204.db2.gz WLGACVRUFTYTKV-UHFFFAOYSA-N 0 0 294.354 3.583 50 30 CHEARN S=C(N/N=C/c1ccccc1Cl)Nc1ccccc1 ZINC000006514404 170209087 /nfs/dbraw/zinc/20/90/87/170209087.db2.gz RZHZSGICBDFBBE-MHWRWJLKSA-N 0 0 289.791 3.661 50 30 CHEARN Cc1ccc(NN=C2C=C(c3ccccc3)OC2=O)c(C)c1 ZINC000006556640 170213043 /nfs/dbraw/zinc/21/30/43/170213043.db2.gz CQWMVTVZHZIRNA-SILNSSARSA-N 0 0 292.338 3.669 50 30 CHEARN C[C@@H]1CCc2c(C(=O)Nc3ccccc3C#N)csc2C1 ZINC000006726346 170233232 /nfs/dbraw/zinc/23/32/32/170233232.db2.gz RZJAJTVJHPYPTN-LLVKDONJSA-N 0 0 296.395 3.997 50 30 CHEARN C=C(C)COc1ccc(C(=O)Nc2ccccc2C#N)cc1 ZINC000006746765 170239337 /nfs/dbraw/zinc/23/93/37/170239337.db2.gz GUMQFDPUMZJBOR-UHFFFAOYSA-N 0 0 292.338 3.765 50 30 CHEARN Cc1[nH]nc2c1[C@@H](c1ccoc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000006953319 170258732 /nfs/dbraw/zinc/25/87/32/170258732.db2.gz YQOOTGPVAAPDOA-CQSZACIVSA-N 0 0 297.358 3.512 50 30 CHEARN N#Cc1cccc(COC(=O)c2ccc(Cl)cc2F)c1 ZINC000007565782 170291132 /nfs/dbraw/zinc/29/11/32/170291132.db2.gz ZGRQZQWXQMYFIT-UHFFFAOYSA-N 0 0 289.693 3.708 50 30 CHEARN O=C(/C=C/c1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007586890 170291977 /nfs/dbraw/zinc/29/19/77/170291977.db2.gz DEQHXABAESHYPB-ZZXKWVIFSA-N 0 0 288.690 3.539 50 30 CHEARN N#Cc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1 ZINC000007712547 170298669 /nfs/dbraw/zinc/29/86/69/170298669.db2.gz NDJMLPXCPUERAE-VMPITWQZSA-N 0 0 269.250 3.733 50 30 CHEARN O=C1/C(=C/c2cccc(O)c2)CC/C1=C\c1cccc(O)c1 ZINC000007718182 170298913 /nfs/dbraw/zinc/29/89/13/170298913.db2.gz ZWTZKZDFAIDISY-KAVGSWPWSA-N 0 0 292.334 3.928 50 30 CHEARN CN(C)c1nc(-c2cn(CCC#N)c3ccccc23)cs1 ZINC000007785038 170302453 /nfs/dbraw/zinc/30/24/53/170302453.db2.gz WAEGDYMFQVNMIF-UHFFFAOYSA-N 0 0 296.399 3.744 50 30 CHEARN C=CCNC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000008020143 170314193 /nfs/dbraw/zinc/31/41/93/170314193.db2.gz AZXYUNXROOVNSA-UHFFFAOYSA-N 0 0 275.735 3.824 50 30 CHEARN C=CCNC(=O)c1sc(-c2cccc(Cl)c2)nc1C ZINC000008271760 170328102 /nfs/dbraw/zinc/32/81/02/170328102.db2.gz HTVVREBMXDKCQH-UHFFFAOYSA-N 0 0 292.791 3.688 50 30 CHEARN C=CCNc1oc(/C=C/c2ccc(OCC)cc2)nc1C#N ZINC000008323883 170330869 /nfs/dbraw/zinc/33/08/69/170330869.db2.gz OTNWHOZYYIKXNJ-JXMROGBWSA-N 0 0 295.342 3.713 50 30 CHEARN COc1cc(C(=O)/C=C/c2ccc(F)c(F)c2)ccc1O ZINC000008322739 170331075 /nfs/dbraw/zinc/33/10/75/170331075.db2.gz ZVVPHQHLRMLTEN-ZZXKWVIFSA-N 0 0 290.265 3.575 50 30 CHEARN CC[C@@H]1S/C(=N\c2ccc(Cl)cc2Cl)NC1=O ZINC000008337248 170331826 /nfs/dbraw/zinc/33/18/26/170331826.db2.gz BVUSERZPZOAIFO-VIFPVBQESA-N 0 0 289.187 3.623 50 30 CHEARN C=C(C)COc1ccc(NC(=O)COc2ccccc2)cc1 ZINC000009812861 170385936 /nfs/dbraw/zinc/38/59/36/170385936.db2.gz FSEJJVCETYZEBA-UHFFFAOYSA-N 0 0 297.354 3.659 50 30 CHEARN C=CCOc1ccccc1NC(=O)C1CCCCC1 ZINC000009815266 170386066 /nfs/dbraw/zinc/38/60/66/170386066.db2.gz COEKUZZWWSBAMB-UHFFFAOYSA-N 0 0 259.349 3.770 50 30 CHEARN N#C[C@]1(c2nc3ccccc3[nH]2)C[C@H]1c1ccc(F)cc1 ZINC000009913653 170390749 /nfs/dbraw/zinc/39/07/49/170390749.db2.gz WUYPQYUYTSTNLP-SUMWQHHRSA-N 0 0 277.302 3.651 50 30 CHEARN C=C(C)C(=O)Nc1ccc(/C=C/C(=O)c2ccco2)cc1 ZINC000010109791 170397862 /nfs/dbraw/zinc/39/78/62/170397862.db2.gz VNCJLSGMXKYGCE-JXMROGBWSA-N 0 0 281.311 3.690 50 30 CHEARN CO/N=C/c1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000012950145 170522621 /nfs/dbraw/zinc/52/26/21/170522621.db2.gz PSHBSNJDYMYAAD-OVCLIPMQSA-N 0 0 291.763 3.697 50 30 CHEARN CC(C)Cc1cc(-c2ccc(F)cc2)c(C#N)c(N)n1 ZINC000019732252 170846860 /nfs/dbraw/zinc/84/68/60/170846860.db2.gz JYZIDKCPPCXZDY-UHFFFAOYSA-N 0 0 269.323 3.540 50 30 CHEARN N#Cc1ccc(CNc2ccc(F)cc2Cl)cc1 ZINC000020315212 171146200 /nfs/dbraw/zinc/14/62/00/171146200.db2.gz VKASLMFXSZOIFH-UHFFFAOYSA-N 0 0 260.699 3.963 50 30 CHEARN CN(C)CC(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000020386038 171175972 /nfs/dbraw/zinc/17/59/72/171175972.db2.gz IKWOUQXEMDDASM-UHFFFAOYSA-N 0 0 295.795 3.613 50 30 CHEARN CCCCNc1nc(CC)c2c(c1C#N)CC(C)(C)OC2 ZINC000020840465 171275462 /nfs/dbraw/zinc/27/54/62/171275462.db2.gz DZFLJAFFYYDZMV-UHFFFAOYSA-N 0 0 287.407 3.579 50 30 CHEARN CC1(C)Cc2cccc(OCc3ccc(C#N)cc3)c2O1 ZINC000021801911 171326270 /nfs/dbraw/zinc/32/62/70/171326270.db2.gz KBKWXELAFKOQFM-UHFFFAOYSA-N 0 0 279.339 3.851 50 30 CHEARN C=CCNC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000026518075 171490700 /nfs/dbraw/zinc/49/07/00/171490700.db2.gz QXKGOTSTRICNKZ-QMMMGPOBSA-N 0 0 273.163 3.540 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2cccc3nccnc23)cc1 ZINC000035684048 172353190 /nfs/dbraw/zinc/35/31/90/172353190.db2.gz DGPQQFBNCKOGID-MDZDMXLPSA-N 0 0 274.323 3.834 50 30 CHEARN Cc1cc(-c2ccco2)c(C#N)c2nc3ccccc3n21 ZINC000038140730 174133480 /nfs/dbraw/zinc/13/34/80/174133480.db2.gz YWRORAHZNCUEDP-UHFFFAOYSA-N 0 0 273.295 3.928 50 30 CHEARN C=CCNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000040067776 174186192 /nfs/dbraw/zinc/18/61/92/174186192.db2.gz JWYLUKJEPFMJRF-SECBINFHSA-N 0 0 287.190 3.882 50 30 CHEARN N#Cc1ccc(NC(=O)NCc2cccs2)cc1Cl ZINC000040087089 174188158 /nfs/dbraw/zinc/18/81/58/174188158.db2.gz SRRSXDFXSQGBMN-UHFFFAOYSA-N 0 0 291.763 3.595 50 30 CHEARN Cc1ccc(C(=O)/C=C/c2cccc3c2OCO3)cc1 ZINC000040139504 174193871 /nfs/dbraw/zinc/19/38/71/174193871.db2.gz XAXTVZGVYCSIGN-MDZDMXLPSA-N 0 0 266.296 3.620 50 30 CHEARN N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)cc1 ZINC000040527923 174314933 /nfs/dbraw/zinc/31/49/33/174314933.db2.gz LQROIAOCFBYZNY-OAHLLOKOSA-N 0 0 297.383 3.989 50 30 CHEARN O=C(/C=C/c1csnn1)c1ccc(Cl)c(Cl)c1 ZINC000040549468 174326691 /nfs/dbraw/zinc/32/66/91/174326691.db2.gz OSSYHAQCTJRNDR-DUXPYHPUSA-N 0 0 285.155 3.741 50 30 CHEARN C[C@H](NC(=O)C1(C#N)CCCCC1)c1ccccc1Cl ZINC000044385583 175169823 /nfs/dbraw/zinc/16/98/23/175169823.db2.gz ORDUHFDGDSAZSY-LBPRGKRZSA-N 0 0 290.794 3.991 50 30 CHEARN N#Cc1ccsc1NC(=O)CCCc1ccccc1 ZINC000058009801 175605402 /nfs/dbraw/zinc/60/54/02/175605402.db2.gz SDJCXNWNNLLZOU-UHFFFAOYSA-N 0 0 270.357 3.581 50 30 CHEARN C#Cc1cccc(NCc2ccc3c(c2)CC(C)(C)O3)c1 ZINC000071170069 176050356 /nfs/dbraw/zinc/05/03/56/176050356.db2.gz DDBCIXPIVPAHOP-UHFFFAOYSA-N 0 0 277.367 3.994 50 30 CHEARN Cc1ncc(CN(C)c2cc(C#N)c3ccccc3n2)s1 ZINC000072290338 176361504 /nfs/dbraw/zinc/36/15/04/176361504.db2.gz JZPSLNAXIIQFRG-UHFFFAOYSA-N 0 0 294.383 3.508 50 30 CHEARN N#Cc1ccc(N[C@H](CCO)c2cccs2)cc1Cl ZINC000077236045 177236917 /nfs/dbraw/zinc/23/69/17/177236917.db2.gz NADSZJXQXLTNDQ-CYBMUJFWSA-N 0 0 292.791 3.809 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1NC1CCCCCCC1 ZINC000006257423 260022561 /nfs/dbraw/zinc/02/25/61/260022561.db2.gz FABHOPQQGURGLB-UHFFFAOYSA-N 0 0 273.336 3.991 50 30 CHEARN Cc1n[nH]c(C)c1/C=C/C(=O)c1cccc(C(F)(F)F)c1 ZINC000040114062 260135242 /nfs/dbraw/zinc/13/52/42/260135242.db2.gz ZHWCVZOAVADGLC-VOTSOKGWSA-N 0 0 294.276 3.941 50 30 CHEARN C=CCc1ccc(OCc2nc3ccccc3[nH]2)c(OC)c1 ZINC000004385943 262192975 /nfs/dbraw/zinc/19/29/75/262192975.db2.gz GYTBZLLLHZOFEC-UHFFFAOYSA-N 0 0 294.354 3.879 50 30 biogenic CHEARN COc1cc(/C=C\C(=O)c2ccccc2)cc(OC)c1OC ZINC000004958295 326813549 /nfs/dbraw/zinc/81/35/49/326813549.db2.gz MFDFEQQOFGIZAS-KTKRTIGZSA-N 0 0 298.338 3.609 50 30 CHEARN CCN(CC)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000037355253 326919140 /nfs/dbraw/zinc/91/91/40/326919140.db2.gz ALCIABZIYBOSLI-LBPRGKRZSA-N 0 0 257.164 3.900 50 30 CHEARN CCOc1cccc(C=NN=Cc2cccc(OCC)c2)c1 ZINC000254392980 328757657 /nfs/dbraw/zinc/75/76/57/328757657.db2.gz NKMUBYOEMHBPBN-UHFFFAOYSA-N 0 0 296.370 3.937 50 30 CHEARN COc1ccccc1/C=C/C(=O)/C=C/c1ccccc1OC ZINC000000353397 533941810 /nfs/dbraw/zinc/94/18/10/533941810.db2.gz RCZMPCUUTSDNAJ-PHEQNACWSA-N 0 0 294.350 4.000 50 30 CHEARN C=CCc1cc(-c2nccn2C(C)C)cc(OC)c1O ZINC000067588091 519121872 /nfs/dbraw/zinc/12/18/72/519121872.db2.gz WKZJSIQMIABWDN-UHFFFAOYSA-N 0 0 272.348 3.574 50 30 CHEARN C[C@H]1CCN(c2cc(C#N)ccn2)[C@H](c2ccco2)C1 ZINC000283778653 524306198 /nfs/dbraw/zinc/30/61/98/524306198.db2.gz PWUGYDBDZZXSPY-JSGCOSHPSA-N 0 0 267.332 3.524 50 30 CHEARN COc1ccccc1/C=C/C(=O)/C=C\c1ccccc1OC ZINC000017379074 524312285 /nfs/dbraw/zinc/31/22/85/524312285.db2.gz RCZMPCUUTSDNAJ-HEEUSZRZSA-N 0 0 294.350 4.000 50 30 CHEARN N#CC1(Nc2ccccc2)C2CC3CC(C2)CC1C3 ZINC000055026447 526438546 /nfs/dbraw/zinc/43/85/46/526438546.db2.gz QVVCGUSXLANUPK-UHFFFAOYSA-N 0 0 252.361 3.817 50 30 CHEARN N#CCCCSCc1csc(-c2ccoc2)n1 ZINC000190941269 526448274 /nfs/dbraw/zinc/44/82/74/526448274.db2.gz ZGCNGVVQQODTKB-UHFFFAOYSA-N 0 0 264.375 3.940 50 30 CHEARN C=CCc1ccccc1OCc1cc(C=O)ccc1OC ZINC000002505865 527266487 /nfs/dbraw/zinc/26/64/87/527266487.db2.gz GTCBEAJPBIHQTD-UHFFFAOYSA-N 0 0 282.339 3.815 50 30 CHEARN O=C(NC1CCC(F)(F)CC1)c1ccc2nsnc2c1 ZINC000329500664 527585471 /nfs/dbraw/zinc/58/54/71/527585471.db2.gz VUSVXFCQMLMPPB-UHFFFAOYSA-N 0 0 297.330 3.574 50 30 CHEARN CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 ZINC000001697652 528121745 /nfs/dbraw/zinc/12/17/45/528121745.db2.gz RGOVYLWUIBMPGK-UHFFFAOYSA-N 0 0 293.407 3.768 50 30 endogenous,world CHEARN CCCCCCCCC1N=NC(=S)N1C[C@@H]1CCCO1 ZINC000097941789 528132431 /nfs/dbraw/zinc/13/24/31/528132431.db2.gz MUJIPOGJHANJCN-ZDUSSCGKSA-N 0 0 297.468 3.649 50 30 CHEARN CCOc1cc(/C=N/O)ccc1OCc1cccc(F)c1 ZINC000016689181 528201244 /nfs/dbraw/zinc/20/12/44/528201244.db2.gz OABILWIWJAJUCM-VCHYOVAHSA-N 0 0 289.306 3.612 50 30 CHEARN CC(C)=C[C@@H]1[C@H](C(=O)O[C@H]2CCCC[C@H]2C#N)C1(C)C ZINC000252515552 567061938 /nfs/dbraw/zinc/06/19/38/567061938.db2.gz LJIIAUDKMQFNMS-LJISPDSOSA-N 0 0 275.392 3.850 50 30 CHEARN N#CCSc1ncc(-c2ccccc2)n1C1CC1 ZINC000012629012 567863883 /nfs/dbraw/zinc/86/38/83/567863883.db2.gz AKRIBNPJRLSQJL-UHFFFAOYSA-N 0 0 255.346 3.501 50 30 CHEARN CCOc1ccc(Nc2oc(-c3ccco3)nc2C#N)cc1 ZINC000001049978 566837500 /nfs/dbraw/zinc/83/75/00/566837500.db2.gz KGZYPBULMXIVMH-UHFFFAOYSA-N 0 0 295.298 3.949 50 30 CHEARN N#Cc1c(F)cccc1NCCc1c[nH]c2ccccc12 ZINC000001396214 566868756 /nfs/dbraw/zinc/86/87/56/566868756.db2.gz OQPJRSFOJFWXDA-UHFFFAOYSA-N 0 0 279.318 3.833 50 30 CHEARN N#Cc1cc(-c2ccccc2)nnc1Oc1ccc(F)cc1 ZINC000001390983 566869106 /nfs/dbraw/zinc/86/91/06/566869106.db2.gz CVNMZHHVPSPWNC-UHFFFAOYSA-N 0 0 291.285 3.947 50 30 CHEARN N#Cc1ccccc1Nc1ccnc(C(F)(F)F)c1 ZINC000001394277 566870304 /nfs/dbraw/zinc/87/03/04/566870304.db2.gz MVPYNHWFRJCGRZ-UHFFFAOYSA-N 0 0 263.222 3.716 50 30 CHEARN COc1ccc(OC)c(/C=C\C(=O)c2ccc(C)cc2)c1 ZINC000004582558 566871567 /nfs/dbraw/zinc/87/15/67/566871567.db2.gz DZKARJSKIIICLA-NTMALXAHSA-N 0 0 282.339 3.908 50 30 CHEARN C[C@@H](c1cccs1)[S@](=O)Cc1ccc(C#N)cc1 ZINC000084667335 566884982 /nfs/dbraw/zinc/88/49/82/566884982.db2.gz RYPBXVUDQUNFMI-VOJFVSQTSA-N 0 0 275.398 3.630 50 30 CHEARN N#C[C@@H](C(=O)CC1=CCCCC1)c1nc2ccccc2[nH]1 ZINC000084583246 566885042 /nfs/dbraw/zinc/88/50/42/566885042.db2.gz DKIYHHZEPQFBCV-ZDUSSCGKSA-N 0 0 279.343 3.630 50 30 CHEARN N#Cc1ncc(C(F)(F)F)cc1-c1ccccc1F ZINC000047203961 566888749 /nfs/dbraw/zinc/88/87/49/566888749.db2.gz SIGAYGVXZTUXII-UHFFFAOYSA-N 0 0 266.197 3.778 50 30 CHEARN CSC(=CC(=O)c1ccco1)[C@H](C)C(=O)c1ccco1 ZINC000035086090 566894307 /nfs/dbraw/zinc/89/43/07/566894307.db2.gz CGSPMRHKGSMVIM-RSYJBZMQSA-N 0 0 290.340 3.821 50 30 CHEARN Cc1cccnc1/N=C/c1c(O)ccc2ccccc21 ZINC000013573309 566896878 /nfs/dbraw/zinc/89/68/78/566896878.db2.gz KVJQPVPRIHFWLW-YBFXNURJSA-N 0 0 262.312 3.999 50 30 CHEARN C=CCOC(=O)c1sc2nc(-c3ccccc3)cn2c1C ZINC000016735270 566897886 /nfs/dbraw/zinc/89/78/86/566897886.db2.gz KFAOXRKKSUPKIB-UHFFFAOYSA-N 0 0 298.367 3.714 50 30 CHEARN C=CC[C@@H]([NH2+]Cc1ccco1)c1ccc(N(C)C)cc1 ZINC000000250570 566899525 /nfs/dbraw/zinc/89/95/25/566899525.db2.gz PFLIGGWMYMSVHX-QGZVFWFLSA-N 0 0 270.376 3.753 50 30 CHEARN CC(C)c1cc(C(C)C)c(S(=O)(=O)ON)c(C(C)C)c1 ZINC000001557370 566899643 /nfs/dbraw/zinc/89/96/43/566899643.db2.gz KCLXLCPIGCCNQM-UHFFFAOYSA-N 0 0 299.436 3.636 50 30 CHEARN C=CCN(CC=C)C(=O)/C=C/c1ccccc1Cl ZINC000000450161 566899694 /nfs/dbraw/zinc/89/96/94/566899694.db2.gz FKLSOMWJDRLWPT-MDZDMXLPSA-N 0 0 261.752 3.554 50 30 CHEARN C=CCN(CC=C)C(=O)Nc1ccccc1Cl ZINC000000396480 566899713 /nfs/dbraw/zinc/89/97/13/566899713.db2.gz HPSZNTQNOVCXBI-UHFFFAOYSA-N 0 0 250.729 3.546 50 30 CHEARN C=C(C)COc1ccc2c(C)c(CC)c(=O)oc2c1 ZINC000000464728 566899846 /nfs/dbraw/zinc/89/98/46/566899846.db2.gz RUZKXVFLRAPJFZ-UHFFFAOYSA-N 0 0 258.317 3.619 50 30 biogenic CHEARN C=CCOc1ccc2c(C)c(CC)c(=O)oc2c1C ZINC000002180708 566902098 /nfs/dbraw/zinc/90/20/98/566902098.db2.gz XPZAYRMIKDJWTG-UHFFFAOYSA-N 0 0 258.317 3.537 50 30 CHEARN C=CCOc1ccc(C(=O)Oc2ccc(F)cc2)cc1 ZINC000002049225 566902279 /nfs/dbraw/zinc/90/22/79/566902279.db2.gz TWGJFOPCEXPJBX-UHFFFAOYSA-N 0 0 272.275 3.610 50 30 CHEARN C#Cc1cccc(NC(=O)/C=C/c2cccc(C)c2)c1 ZINC000023009955 566930291 /nfs/dbraw/zinc/93/02/91/566930291.db2.gz GXYPFXGQSPPPLH-ZHACJKMWSA-N 0 0 261.324 3.628 50 30 CHEARN O=[N+]([O-])c1ccc(Cl)c(C#CCOc2ccccc2)c1 ZINC000001866739 566971844 /nfs/dbraw/zinc/97/18/44/566971844.db2.gz KDKVUEAHYBCJNU-UHFFFAOYSA-N 0 0 287.702 3.679 50 30 CHEARN N#Cc1cnc2ccc(Br)cc2c1Cl ZINC000016697144 566984445 /nfs/dbraw/zinc/98/44/45/566984445.db2.gz OCILRHPBZATKKG-UHFFFAOYSA-N 0 0 267.513 3.522 50 30 CHEARN O=C(CCC1CCCCC1)Nc1n[nH]c(C(F)(F)F)n1 ZINC000036744309 567005669 /nfs/dbraw/zinc/00/56/69/567005669.db2.gz BLXFWLFGKFGELH-UHFFFAOYSA-N 0 0 290.289 3.772 50 30 CHEARN C=C(Cl)CSc1n[nH]c(-c2cc(F)cc(F)c2)n1 ZINC000170640040 567044324 /nfs/dbraw/zinc/04/43/24/567044324.db2.gz WHSRCPDUFISCBN-UHFFFAOYSA-N 0 0 287.722 3.595 50 30 CHEARN Cc1ccc(NC=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000252488325 567058796 /nfs/dbraw/zinc/05/87/96/567058796.db2.gz IPDSYSKRQRTZKP-ZHACJKMWSA-N 0 0 282.299 3.712 50 30 CHEARN CCCc1cc(=O)[nH]c(C(=Cc2cc(C#N)cs2)CC)n1 ZINC000193618758 567060039 /nfs/dbraw/zinc/06/00/39/567060039.db2.gz IREAMCZGLYMBCE-GHXNOFRVSA-N 0 0 299.399 3.606 50 30 CHEARN C#Cc1cccc(N(Cc2ccncc2)C(=O)CCC=C)c1 ZINC000193555148 567060808 /nfs/dbraw/zinc/06/08/08/567060808.db2.gz DIDHJZHPUNLWDZ-UHFFFAOYSA-N 0 0 290.366 3.562 50 30 CHEARN c1ccc(N=C2SCCN2c2ccccc2)cc1 ZINC000252600412 567065797 /nfs/dbraw/zinc/06/57/97/567065797.db2.gz DQWCNPBQMZOLKW-UHFFFAOYSA-N 0 0 254.358 3.928 50 30 CHEARN Cc1c(Cl)cccc1NN=C(C#N)C(=O)c1ccccc1 ZINC000252600556 567066164 /nfs/dbraw/zinc/06/61/64/567066164.db2.gz DSKBBAKXCXZNDX-UHFFFAOYSA-N 0 0 297.745 3.823 50 30 CHEARN CN1c2ccccc2C(=O)/C1=C/N=Nc1ccccc1 ZINC000252614721 567068228 /nfs/dbraw/zinc/06/82/28/567068228.db2.gz JMNGHPKMNRYFKM-QMGYSKEOSA-N 0 0 263.300 3.944 50 30 CHEARN O=C(Nc1ccccc1)ON=C1CCc2ccccc21 ZINC000252634631 567071537 /nfs/dbraw/zinc/07/15/37/567071537.db2.gz WPKZGBHEUTULHC-UHFFFAOYSA-N 0 0 266.300 3.586 50 30 CHEARN CC(C)(C)C1=CC(Cl)=C(C(C)(C)C)C(=O)C1=O ZINC000002271465 567073916 /nfs/dbraw/zinc/07/39/16/567073916.db2.gz SVAGJHVIBWWSLV-UHFFFAOYSA-N 0 0 254.757 3.650 50 30 CHEARN Cc1ccc([C@H](C)Cc2nc3cc(C#N)ccc3[nH]2)o1 ZINC000055325300 567101804 /nfs/dbraw/zinc/10/18/04/567101804.db2.gz WNFLWDSOVSRUOR-SNVBAGLBSA-N 0 0 265.316 3.682 50 30 CHEARN CC(C)CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000000570355 567106517 /nfs/dbraw/zinc/10/65/17/567106517.db2.gz IPFDMGSSCFQFBB-JTQLQIEISA-N 0 0 276.405 3.729 50 30 CHEARN Cc1ccc(NC(=O)N2CCc3ccc(C#N)cc32)s1 ZINC000225511842 567116498 /nfs/dbraw/zinc/11/64/98/567116498.db2.gz ITKNEHJXUWUINJ-UHFFFAOYSA-N 0 0 283.356 3.523 50 30 CHEARN Cc1cccc(C)c1CCC(=O)c1ccccc1C#N ZINC000002517582 567121193 /nfs/dbraw/zinc/12/11/93/567121193.db2.gz CYCAJOLVMFGIPH-UHFFFAOYSA-N 0 0 263.340 3.991 50 30 CHEARN Cc1cc2ncn(Cc3ccccc3C#N)c2cc1C ZINC000019804785 567121949 /nfs/dbraw/zinc/12/19/49/567121949.db2.gz KCCUUJMRBHWWFW-UHFFFAOYSA-N 0 0 261.328 3.573 50 30 CHEARN Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(N)n2)cc1 ZINC000019948241 567126770 /nfs/dbraw/zinc/12/67/70/567126770.db2.gz FCJZWEOYTMSLDY-UHFFFAOYSA-N 0 0 275.311 3.771 50 30 CHEARN CC1=CC(=NNC(=S)Nc2c(C)cccc2C)CC1 ZINC000254670257 567152729 /nfs/dbraw/zinc/15/27/29/567152729.db2.gz QBJGCVANNYOODL-UHFFFAOYSA-N 0 0 273.405 3.686 50 30 CHEARN CC(C)c1cccc(-c2ccc(C(=O)N(C)CC#N)o2)c1 ZINC000095989285 567136252 /nfs/dbraw/zinc/13/62/52/567136252.db2.gz AXBAZCXAEUAHFE-UHFFFAOYSA-N 0 0 282.343 3.666 50 30 CHEARN CCCC(=O)Nc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000225577016 567146190 /nfs/dbraw/zinc/14/61/90/567146190.db2.gz HLKHEGUUSQFHLM-ZIAGYGMSSA-N 0 0 285.391 3.919 50 30 CHEARN Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)c(C)o1 ZINC000028225528 567149297 /nfs/dbraw/zinc/14/92/97/567149297.db2.gz QYFUCBSLOHCWFG-UHFFFAOYSA-N 0 0 286.356 3.571 50 30 CHEARN C[C@@H](OCCCNc1ccnc(C#N)c1)c1ccccc1 ZINC000225816326 567149305 /nfs/dbraw/zinc/14/93/05/567149305.db2.gz YIKNRSGFDWTOAD-CQSZACIVSA-N 0 0 281.359 3.533 50 30 CHEARN CC(C)(C)c1nnc(SCc2ccc(C#N)cc2)o1 ZINC000042569630 567204976 /nfs/dbraw/zinc/20/49/76/567204976.db2.gz VCUUINYJHQKEIC-UHFFFAOYSA-N 0 0 273.361 3.531 50 30 CHEARN COc1ccc([N+](=O)[O-])cc1/N=C/c1sccc1C ZINC000000055638 567817137 /nfs/dbraw/zinc/81/71/37/567817137.db2.gz KYAJECFHKXAOPF-RIYZIHGNSA-N 0 0 276.317 3.724 50 30 CHEARN Cc1c(Cl)cccc1/N=C/c1cccc(O)c1O ZINC000000065490 567817319 /nfs/dbraw/zinc/81/73/19/567817319.db2.gz ZJBPWNQHWKYHOB-LZYBPNLTSA-N 0 0 261.708 3.810 50 30 CHEARN CC(=NOC(=O)Nc1ccccc1Cl)C1CC1 ZINC000000087084 567817752 /nfs/dbraw/zinc/81/77/52/567817752.db2.gz AAMHGAFZTGMUOV-NVNXTCNLSA-N 0 0 252.701 3.674 50 30 CHEARN CC1(C)CC(=O)C=C(OC(=O)c2ccc(Cl)cc2)C1 ZINC000000099658 567818329 /nfs/dbraw/zinc/81/83/29/567818329.db2.gz KKORKSCDUXGMSV-UHFFFAOYSA-N 0 0 278.735 3.770 50 30 CHEARN FC(F)(F)c1cnc(/N=C/N2CCCCC2)c(Cl)c1 ZINC000000133246 567819761 /nfs/dbraw/zinc/81/97/61/567819761.db2.gz YBYGRSLORAQXFV-QGMBQPNBSA-N 0 0 291.704 3.900 50 30 CHEARN Cc1ccccc1NC1=NC(C)(C)Cc2ccccc21 ZINC000000177682 567821628 /nfs/dbraw/zinc/82/16/28/567821628.db2.gz MLKBQZYZOVMPKE-UHFFFAOYSA-N 0 0 264.372 3.998 50 30 CHEARN N#C[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000000188820 567821862 /nfs/dbraw/zinc/82/18/62/567821862.db2.gz NDVVCBGPWQMFDQ-MRVPVSSYSA-N 0 0 275.149 3.874 50 30 CHEARN CC1(C)C[C@H]([C@H](CC#N)Cc2ccccc2)CCO1 ZINC000000209719 567822170 /nfs/dbraw/zinc/82/21/70/567822170.db2.gz XIDXZWBPVXHTDH-HZPDHXFCSA-N 0 0 257.377 3.964 50 30 CHEARN COc1ccc(/C=N/c2oc(C)c(C)c2C#N)cc1 ZINC000000276389 567823699 /nfs/dbraw/zinc/82/36/99/567823699.db2.gz SXPQVMVBUHWRSR-RQZCQDPDSA-N 0 0 254.289 3.527 50 30 CHEARN COc1cccc(/C=C2\Sc3ccccc3C2=O)c1O ZINC000000340096 567825886 /nfs/dbraw/zinc/82/58/86/567825886.db2.gz WSIVUFUSCUFAPO-ZROIWOOFSA-N 0 0 284.336 3.730 50 30 CHEARN C(=N/c1ccc(/N=C/c2cccnc2)cc1)\c1cccnc1 ZINC000000346933 567825976 /nfs/dbraw/zinc/82/59/76/567825976.db2.gz AYITUBJHRXJUEE-JFMUQQRKSA-N 0 0 286.338 3.978 50 30 CHEARN C/C(=N\OC(=O)c1ccccc1)c1ccc(C)cc1 ZINC000000353573 567826270 /nfs/dbraw/zinc/82/62/70/567826270.db2.gz AVDJJXWYHSUYGE-GHRIWEEISA-N 0 0 253.301 3.576 50 30 CHEARN CCOc1ccc(/C=C2\N=C(SC)SC2=O)cc1C ZINC000000461005 567831354 /nfs/dbraw/zinc/83/13/54/567831354.db2.gz UFUSASGEGYYYBL-FLIBITNWSA-N 0 0 293.413 3.727 50 30 CHEARN N#C[C@@H](c1ccc(Cl)nn1)c1c(F)cccc1Cl ZINC000001397060 567837195 /nfs/dbraw/zinc/83/71/95/567837195.db2.gz WPKNFVRIDSHDLH-ZETCQYMHSA-N 0 0 282.105 3.578 50 30 CHEARN CN(C)/C=C/C(=O)c1cc2c(ccc3ccccc23)o1 ZINC000001394817 567837340 /nfs/dbraw/zinc/83/73/40/567837340.db2.gz CZUAQGFARJIBET-MDZDMXLPSA-N 0 0 265.312 3.844 50 30 CHEARN CCCCCCCC(=O)Nc1nnc(C(F)(F)F)s1 ZINC000002872596 567849969 /nfs/dbraw/zinc/84/99/69/567849969.db2.gz FTDVXUVGSXZFAM-UHFFFAOYSA-N 0 0 295.330 3.856 50 30 CHEARN C=CCNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000002958167 567850726 /nfs/dbraw/zinc/85/07/26/567850726.db2.gz LZYDVWCUNFEGSB-UHFFFAOYSA-N 0 0 283.396 3.895 50 30 CHEARN Cc1cccc(NC(=S)N/N=C/C=C/c2ccccc2)c1 ZINC000003071977 567851346 /nfs/dbraw/zinc/85/13/46/567851346.db2.gz QNQGRRJOMXYJFW-PDDUZAPNSA-N 0 0 295.411 3.981 50 30 CHEARN COCCCN=C(Nc1c(C)cc(C)cc1C)SC ZINC000003126630 567851683 /nfs/dbraw/zinc/85/16/83/567851683.db2.gz VDEXSPGEOIRENJ-UHFFFAOYSA-N 0 0 280.437 3.779 50 30 CHEARN CN(C)c1ccc([C@@H]2O[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000003121388 567851748 /nfs/dbraw/zinc/85/17/48/567851748.db2.gz XNADSOQHMLVBEF-ROUUACIJSA-N 0 0 282.387 3.631 50 30 CHEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C ZINC000003201937 567852137 /nfs/dbraw/zinc/85/21/37/567852137.db2.gz BFPYWIDHMRZLRN-UTBUEMAESA-N 0 0 296.410 3.613 50 30 biogenic CHEARN C=C(C)[C@@H]1C=C2CC3(CC[C@]2(C)[C@@H](C#N)C1)OCCO3 ZINC000004114348 567855265 /nfs/dbraw/zinc/85/52/65/567855265.db2.gz VHVPWZSMFUDSIL-BMFZPTHFSA-N 0 0 273.376 3.582 50 30 CHEARN CCCOC(=O)c1ccc(/N=C/c2ccc(O)cc2)cc1 ZINC000004119258 567855454 /nfs/dbraw/zinc/85/54/54/567855454.db2.gz NQEMJXIBGAFDSR-LDADJPATSA-N 0 0 283.327 3.710 50 30 CHEARN Cc1sc(=NN=Cc2ccco2)[nH]c1-c1ccccc1 ZINC000004190891 567855653 /nfs/dbraw/zinc/85/56/53/567855653.db2.gz CTQQNOAZROJVOQ-MHWRWJLKSA-N 0 0 283.356 3.579 50 30 CHEARN CN(C)c1ccc(/C=C/C(=O)c2cccs2)cc1 ZINC000004192048 567855872 /nfs/dbraw/zinc/85/58/72/567855872.db2.gz KMSYVLGJQGXZJB-JXMROGBWSA-N 0 0 257.358 3.710 50 30 CHEARN Oc1ccc2ccccc2c1C=NNc1ccccc1 ZINC000004263365 567856551 /nfs/dbraw/zinc/85/65/51/567856551.db2.gz WWIIENGSINYUES-LDADJPATSA-N 0 0 262.312 3.991 50 30 CHEARN O=C1C=C(c2ccccc2)/C(=N/O)C=C1c1ccccc1 ZINC000004532645 567858167 /nfs/dbraw/zinc/85/81/67/567858167.db2.gz YUUWDSAVNUVPPZ-HTXNQAPBSA-N 0 0 275.307 3.567 50 30 CHEARN COc1ccccc1/C=C/C(=O)c1ccc(NC(C)=O)cc1 ZINC000004649209 567858451 /nfs/dbraw/zinc/85/84/51/567858451.db2.gz ASDDMCAZRJHKBL-FMIVXFBMSA-N 0 0 295.338 3.550 50 30 CHEARN CC[C@@]1(C#N)c2ccccc2C=CN1C(=O)c1ccccc1 ZINC000004671189 567858959 /nfs/dbraw/zinc/85/89/59/567858959.db2.gz ZUQCLHZNTDZNJZ-LJQANCHMSA-N 0 0 288.350 3.942 50 30 CHEARN COc1ccccc1/C=C\C(=O)c1ccc(NC(C)=O)cc1 ZINC000097464746 567861027 /nfs/dbraw/zinc/86/10/27/567861027.db2.gz ASDDMCAZRJHKBL-XFXZXTDPSA-N 0 0 295.338 3.550 50 30 CHEARN N#Cc1ncc(-c2cccc(F)c2)cc1C(F)(F)F ZINC000047203965 567861383 /nfs/dbraw/zinc/86/13/83/567861383.db2.gz QUXBQVLZYHMXQI-UHFFFAOYSA-N 0 0 266.197 3.778 50 30 CHEARN CC(/C=C/c1ccccc1)=N\OC(=O)c1cccs1 ZINC000012340257 567862809 /nfs/dbraw/zinc/86/28/09/567862809.db2.gz HHTOLIJZFPHVEB-HMSDUJDUSA-N 0 0 271.341 3.994 50 30 CHEARN COc1ccc(C(=O)C=CNc2ccc(F)cc2F)cc1 ZINC000016216155 567872121 /nfs/dbraw/zinc/87/21/21/567872121.db2.gz YYRPLHYSAKUXHD-CMDGGOBGSA-N 0 0 289.281 3.782 50 30 CHEARN CN(C)[C@@H]1OC2=C(C=C1c1ccccc1)C(=O)CC(C)(C)C2 ZINC000019336502 567877328 /nfs/dbraw/zinc/87/73/28/567877328.db2.gz PIGCSZUMSPFHSC-GOSISDBHSA-N 0 0 297.398 3.631 50 30 CHEARN CN(C)[C@H]1OC2=C(C=C1c1ccccc1)C(=O)CC(C)(C)C2 ZINC000019336507 567877426 /nfs/dbraw/zinc/87/74/26/567877426.db2.gz PIGCSZUMSPFHSC-SFHVURJKSA-N 0 0 297.398 3.631 50 30 CHEARN N#Cc1ccc(C(=O)OCc2ccc(F)cc2Cl)cc1 ZINC000010807648 567881119 /nfs/dbraw/zinc/88/11/19/567881119.db2.gz LTQGNOPKBFBGMV-UHFFFAOYSA-N 0 0 289.693 3.708 50 30 CHEARN CC1C/C(=C\c2ccccn2)C(=O)/C(=C/c2ccccn2)C1 ZINC000033402679 567886695 /nfs/dbraw/zinc/88/66/95/567886695.db2.gz ZIDKQCBQNLSWTG-WSGPNKEYSA-N 0 0 290.366 3.943 50 30 CHEARN O=[N+]([O-])c1ccccc1C=NNc1cccc2cccnc21 ZINC000033859112 567886972 /nfs/dbraw/zinc/88/69/72/567886972.db2.gz SMZINQUKPSMFAS-WQRHYEAKSA-N 0 0 292.298 3.589 50 30 CHEARN Clc1nnc(N=NCc2ccccc2)c2ccccc12 ZINC000018191245 567887911 /nfs/dbraw/zinc/88/79/11/567887911.db2.gz XWEDVIXMINEDLB-LICLKQGHSA-N 0 0 282.734 3.729 50 30 CHEARN Cc1ccc(C(=O)C=C(O)C(=O)c2ccc(C)cc2)cc1 ZINC000106702864 567888679 /nfs/dbraw/zinc/88/86/79/567888679.db2.gz ZIMYAQKABUYSPW-BOPFTXTBSA-N 0 0 280.323 3.811 50 30 CHEARN Cc1cc(C(=O)/C=C/N(C)C)c2c(c1)[C@H](C)CC(C)(C)N2 ZINC000334161037 567892818 /nfs/dbraw/zinc/89/28/18/567892818.db2.gz ROQPFXACABRTMC-SBDDDAINSA-N 0 0 286.419 3.951 50 30 CHEARN COc1ccc(NC(=S)NC2CCCCC2)c(OC)c1 ZINC000013684931 567893982 /nfs/dbraw/zinc/89/39/82/567893982.db2.gz ASSXCANPBPHEOC-UHFFFAOYSA-N 0 0 294.420 3.734 50 30 CHEARN N#C[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 ZINC000097546679 567910444 /nfs/dbraw/zinc/91/04/44/567910444.db2.gz KSVLNQGXTAJSJL-JTQLQIEISA-N 0 0 269.175 3.729 50 30 CHEARN CN(C)c1ccc(/C=C\C(=O)c2cccs2)cc1 ZINC000033376670 567910619 /nfs/dbraw/zinc/91/06/19/567910619.db2.gz KMSYVLGJQGXZJB-YFHOEESVSA-N 0 0 257.358 3.710 50 30 CHEARN Oc1ccc(Br)cc1/C=N/c1ccccc1O ZINC000100032172 567911722 /nfs/dbraw/zinc/91/17/22/567911722.db2.gz KUNREMSTGYFZNK-OVCLIPMQSA-N 0 0 292.132 3.611 50 30 CHEARN CCCCCCCCCCC[C@@H]1CC(=O)NC(=O)[C@@H]1C#N ZINC000100721569 567913750 /nfs/dbraw/zinc/91/37/50/567913750.db2.gz GOWVTRFLZJNOFW-HUUCEWRRSA-N 0 0 292.423 3.710 50 30 CHEARN CC(=CC(=O)c1ccc(C)o1)Nc1ccc2c(c1)OCO2 ZINC000101120255 567914696 /nfs/dbraw/zinc/91/46/96/567914696.db2.gz AIIAEAMGMKKVEL-JXMROGBWSA-N 0 0 285.299 3.515 50 30 CHEARN CC(C)CC[C@H](C)NC(=O)c1cccc2oc(=O)[nH]c21 ZINC000328592646 567917240 /nfs/dbraw/zinc/91/72/40/567917240.db2.gz SAFQIZUMADBRLT-JTQLQIEISA-N 0 0 276.336 3.663 50 30 CHEARN C=CCC(F)(F)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000328591043 567917281 /nfs/dbraw/zinc/91/72/81/567917281.db2.gz AEXBECZPZYHOGR-VIFPVBQESA-N 0 0 261.312 3.500 50 30 CHEARN N#C[C@@H]1c2ccccc2C=CN1C(=O)c1ccc(F)cc1 ZINC000000104458 567923012 /nfs/dbraw/zinc/92/30/12/567923012.db2.gz ODULREKDLNYKAC-MRXNPFEDSA-N 0 0 278.286 3.517 50 30 CHEARN CC[C@]1(C)C[C@@](CC#N)(c2ccc(F)cc2)CCO1 ZINC000000171712 567924424 /nfs/dbraw/zinc/92/44/24/567924424.db2.gz FBGYDEXBNJZDHN-CVEARBPZSA-N 0 0 261.340 3.956 50 30 CHEARN Cc1n[nH]c(C)c1N=Nc1cc(Cl)ccc1Cl ZINC000100457507 567927367 /nfs/dbraw/zinc/92/73/67/567927367.db2.gz IXMBWJMIFMVAQT-UHFFFAOYSA-N 0 0 269.135 3.612 50 30 CHEARN Cn1c2ccccc2nc1/N=C/c1c[nH]c2ccccc12 ZINC000100698606 567928382 /nfs/dbraw/zinc/92/83/82/567928382.db2.gz AWBYEAAGBARUJV-YBFXNURJSA-N 0 0 274.327 3.805 50 30 CHEARN CC(N=NC(=S)Nc1ccccc1)c1ccc(F)cc1 ZINC000011990345 567928897 /nfs/dbraw/zinc/92/88/97/567928897.db2.gz GZXQUFHSMPWIDJ-WOJGMQOQSA-N 0 0 287.363 3.948 50 30 CHEARN CCn1nc(C)c(NCC#Cc2ccc(Cl)cc2)c1C ZINC000225389283 567929036 /nfs/dbraw/zinc/92/90/36/567929036.db2.gz LJHSVJHGJGODKS-UHFFFAOYSA-N 0 0 287.794 3.637 50 30 CHEARN CC(=NOC(=O)c1ccc(C)cc1)c1cccs1 ZINC000252635000 567930326 /nfs/dbraw/zinc/93/03/26/567930326.db2.gz WSYNHGYSJDDXEV-UHFFFAOYSA-N 0 0 259.330 3.638 50 30 CHEARN C=CCn1c(=S)[nH]nc1-c1csc(CCC)c1 ZINC000002569130 567931001 /nfs/dbraw/zinc/93/10/01/567931001.db2.gz XGDMERZSTQDRGP-UHFFFAOYSA-N 0 0 265.407 3.808 50 30 CHEARN O=C(O/N=C/c1ccc(Cl)cc1)c1ccccc1 ZINC000017004413 567934824 /nfs/dbraw/zinc/93/48/24/567934824.db2.gz UPUQOIKEAXWAON-MHWRWJLKSA-N 0 0 259.692 3.531 50 30 CHEARN O/N=C/C1=C(Cl)c2cc(Cl)ccc2SC1 ZINC000000107612 567935484 /nfs/dbraw/zinc/93/54/84/567935484.db2.gz WFISAXJLCBRBCG-YIXHJXPBSA-N 0 0 260.145 3.856 50 30 CHEARN COc1ccc([C@@H](C#N)Nc2ccc(C)cc2)cc1 ZINC000000479555 567936335 /nfs/dbraw/zinc/93/63/35/567936335.db2.gz RTZULXZRSHQWHD-MRXNPFEDSA-N 0 0 252.317 3.680 50 30 CHEARN N#Cc1ccc(NC(=O)Cc2cccc3ccccc32)cc1 ZINC000000486645 567939464 /nfs/dbraw/zinc/93/94/64/567939464.db2.gz NXBGRPPTEDPGLJ-UHFFFAOYSA-N 0 0 286.334 3.893 50 30 CHEARN CCCCNC(C)=C1Sc2ccc(OCC)cc2C1=O ZINC000101151861 567940784 /nfs/dbraw/zinc/94/07/84/567940784.db2.gz CQFUQZBYDLOSQZ-LFIBNONCSA-N 0 0 291.416 3.995 50 30 CHEARN CCCCCCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000102819296 567942342 /nfs/dbraw/zinc/94/23/42/567942342.db2.gz WHMVWKCFICUSBB-UHFFFAOYSA-N 0 0 294.351 3.902 50 30 CHEARN O=C1c2ccc(O)cc2O/C1=C\c1cccc(Cl)c1 ZINC000000543184 567942712 /nfs/dbraw/zinc/94/27/12/567942712.db2.gz CVYVPSFTNGZDMR-AUWJEWJLSA-N 0 0 272.687 3.662 50 30 biogenic CHEARN Cc1cc2c(cc1C)C(=O)C(c1ccc(F)cc1)=CC2=O ZINC000000539277 567942791 /nfs/dbraw/zinc/94/27/91/567942791.db2.gz VJLPEUPZXKBORH-UHFFFAOYSA-N 0 0 280.298 3.905 50 30 CHEARN Cc1ccc(F)cc1NC=CC(=O)c1ccc2c(c1)OCO2 ZINC000044842734 567946084 /nfs/dbraw/zinc/94/60/84/567946084.db2.gz IITBVMQKSOYFCW-VOTSOKGWSA-N 0 0 299.301 3.671 50 30 CHEARN N#C[C@H](C(=O)CCCc1ccc(Cl)cc1)c1ccccn1 ZINC000049458370 567946891 /nfs/dbraw/zinc/94/68/91/567946891.db2.gz CFFZXQJQIHRGSA-HNNXBMFYSA-N 0 0 298.773 3.934 50 30 CHEARN CC(C)N(/C(F)=N/C(=O)Oc1ccc(F)cc1)C(C)C ZINC000012401551 567956292 /nfs/dbraw/zinc/95/62/92/567956292.db2.gz FHIYQJNUCJSAMM-GHRIWEEISA-N 0 0 284.306 3.769 50 30 CHEARN COc1cccc([C@@H](C#N)[C@H](C#N)c2ccccc2)c1OC ZINC000025758874 570231393 /nfs/dbraw/zinc/23/13/93/570231393.db2.gz YBHXSYSKNJRBNJ-HZPDHXFCSA-N 0 0 292.338 3.618 50 30 CHEARN C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)OCc1ccccc1 ZINC000003354707 570233774 /nfs/dbraw/zinc/23/37/74/570233774.db2.gz ZIHKRMPHQOGTEV-GDBMZVCRSA-N 0 0 271.360 3.918 50 30 CHEARN COc1ccc(/N=C/c2ccccc2O)cc1Cl ZINC000100037332 570257090 /nfs/dbraw/zinc/25/70/90/570257090.db2.gz XEEGVWCBNUYBFT-CXUHLZMHSA-N 0 0 261.708 3.805 50 30 CHEARN COc1cc(OC)c(/N=C/c2ccccc2O)cc1Cl ZINC000100037346 570257150 /nfs/dbraw/zinc/25/71/50/570257150.db2.gz VTSXAEWTTOXZHR-RQZCQDPDSA-N 0 0 291.734 3.813 50 30 CHEARN COc1cccc(/C=C2\CCc3ccccc3C2=O)c1 ZINC000000214590 570263596 /nfs/dbraw/zinc/26/35/96/570263596.db2.gz BFLYDBJQMZPJGI-RVDMUPIBSA-N 0 0 264.324 3.908 50 30 biogenic CHEARN CN(C(=O)c1cccc(C#N)c1)[C@H]1CCCc2ccccc21 ZINC000024772068 570304044 /nfs/dbraw/zinc/30/40/44/570304044.db2.gz CPDRWEXLWOWKIF-SFHVURJKSA-N 0 0 290.366 3.708 50 30 CHEARN C=CCOc1ccc2c(C(F)(F)F)cc(=O)oc2c1C ZINC000002982790 570314445 /nfs/dbraw/zinc/31/44/45/570314445.db2.gz WZTQOLYHCVLEKX-UHFFFAOYSA-N 0 0 284.233 3.685 50 30 CHEARN O=C1CCCC1=NNc1ccc(OCc2ccccc2)cc1 ZINC000012436499 570318385 /nfs/dbraw/zinc/31/83/85/570318385.db2.gz PZDUIOPDWHBIJJ-LVZFUZTISA-N 0 0 294.354 3.787 50 30 CHEARN CCO/N=C(\C)c1sc2nc3ccccc3n2c1C ZINC000004024092 570330640 /nfs/dbraw/zinc/33/06/40/570330640.db2.gz SWVWTYUEWDFMJA-CXUHLZMHSA-N 0 0 273.361 3.618 50 30 CHEARN C=CCO[C@H](C)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000083888788 570333270 /nfs/dbraw/zinc/33/32/70/570333270.db2.gz WPJOSUZDGZSOFD-OAHLLOKOSA-N 0 0 279.424 3.541 50 30 CHEARN C=C(C)COc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000012138003 570339370 /nfs/dbraw/zinc/33/93/70/570339370.db2.gz BGEQNRRTLASZGP-UHFFFAOYSA-N 0 0 267.328 3.894 50 30 CHEARN C=CCc1cc(C(=O)Nc2cccc(OC)c2)ccc1OC ZINC000014399034 570340640 /nfs/dbraw/zinc/34/06/40/570340640.db2.gz PIOHMFIPCPWTLV-UHFFFAOYSA-N 0 0 297.354 3.685 50 30 CHEARN C=CCN(CC=C)C(=O)Nc1c(C)cccc1Cl ZINC000000396689 570342331 /nfs/dbraw/zinc/34/23/31/570342331.db2.gz RCLHKTBCMLLGJW-UHFFFAOYSA-N 0 0 264.756 3.854 50 30 CHEARN N#Cc1cccnc1Oc1ccc(Br)cc1 ZINC000019486816 570346567 /nfs/dbraw/zinc/34/65/67/570346567.db2.gz ZAOQHTDPJWAMIB-UHFFFAOYSA-N 0 0 275.105 3.508 50 30 CHEARN N#Cc1ccc(NC(=O)c2cc3c(cccc3F)s2)nc1 ZINC000065609373 570362542 /nfs/dbraw/zinc/36/25/42/570362542.db2.gz VFSNTNVRWMAZNA-UHFFFAOYSA-N 0 0 297.314 3.559 50 30 CHEARN CCOc1ccc(C=Nc2ccccc2OC)cc1 ZINC000252612984 570376163 /nfs/dbraw/zinc/37/61/63/570376163.db2.gz IYLIQOMQPKEMJJ-UHFFFAOYSA-N 0 0 255.317 3.845 50 30 CHEARN N#CCSc1nc2ccccc2c2nc3ccccc3n21 ZINC000002970593 570379021 /nfs/dbraw/zinc/37/90/21/570379021.db2.gz MAHFGXKBPMMRQT-UHFFFAOYSA-N 0 0 290.351 3.651 50 30 CHEARN N#Cc1cc([N+](=O)[O-])ccc1SCc1ccccc1 ZINC000000093459 570386496 /nfs/dbraw/zinc/38/64/96/570386496.db2.gz UVENNUQTKADSQA-UHFFFAOYSA-N 0 0 270.313 3.759 50 30 CHEARN CC(C)c1ccc(OCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000000303710 570387521 /nfs/dbraw/zinc/38/75/21/570387521.db2.gz ZZKOWNDWBNDXCK-UHFFFAOYSA-N 0 0 294.354 3.699 50 30 CHEARN CC(C)c1ccccc1OCC(=O)Nc1ccc(C#N)cc1 ZINC000000359104 570387941 /nfs/dbraw/zinc/38/79/41/570387941.db2.gz SXVQPICUCAPKGT-UHFFFAOYSA-N 0 0 294.354 3.699 50 30 CHEARN N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC000012908868 570390191 /nfs/dbraw/zinc/39/01/91/570390191.db2.gz WMPDUIXOWVZFOJ-QGZVFWFLSA-N 0 0 291.354 3.927 50 30 CHEARN CCC[C@H]1CCc2c(sc(=O)n2CC2(CC#N)CC2)C1 ZINC000585098281 570392351 /nfs/dbraw/zinc/39/23/51/570392351.db2.gz OJZUPNJZNJZOCH-LBPRGKRZSA-N 0 0 290.432 3.509 50 30 CHEARN N#Cc1ccsc1NC(=O)c1ccc(Cl)s1 ZINC000002692472 570397974 /nfs/dbraw/zinc/39/79/74/570397974.db2.gz ZKRZROGTJMCOPC-UHFFFAOYSA-N 0 0 268.750 3.587 50 30 CHEARN