smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C(=O)/C=C2/N(C)c3ccccc3C2(C)C)c(OC)c1 ZINC000018180189 1025843860 /nfs/dbraw/zinc/84/38/60/1025843860.db2.gz LLIJJIXEEYIOHE-DEDYPNTBSA-N 0 0 337.419 4.198 50 30 EIEARN O=C(/C=C/c1cccc(Br)c1)c1ccc2c(c1)OCO2 ZINC000006646389 1026287617 /nfs/dbraw/zinc/28/76/17/1026287617.db2.gz LFGBPLVCYUWUNB-GQCTYLIASA-N 0 0 331.165 4.074 50 30 EIEARN C=CCN(CC=C)C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002816357 1026335185 /nfs/dbraw/zinc/33/51/85/1026335185.db2.gz XODDYSAUSWPJTQ-UHFFFAOYSA-N 0 0 328.239 4.353 50 30 EIEARN C=CCN1C(=O)C(=CC=CC=CNc2ccccc2)SC1=S ZINC000016134379 1027539932 /nfs/dbraw/zinc/53/99/32/1027539932.db2.gz YQYNLYMPCBMLJL-OMYWGSPBSA-N 0 0 328.462 4.099 50 30 EIEARN COc1cc(/C=C/C(=O)c2cccnc2)cc(Cl)c1OC(F)F ZINC000007739803 1030216028 /nfs/dbraw/zinc/21/60/28/1030216028.db2.gz MNDRZQHPQMSQKK-SNAWJCMRSA-N 0 0 339.725 4.241 50 30 EIEARN O=C1c2cc(F)ccc2OCCC1=Cc1nc(-c2ccccc2)c[nH]1 ZINC000170600439 1036696360 /nfs/dbraw/zinc/69/63/60/1036696360.db2.gz XLLCXNZWAYROLZ-UVTDQMKNSA-N 0 0 334.350 4.265 50 30 EIEARN O=C(/C=C\c1c(Cl)cccc1Cl)c1ccc2c(c1)NC(=O)CO2 ZINC000096920132 1039782951 /nfs/dbraw/zinc/78/29/51/1039782951.db2.gz AQWMVLOCEZZBRG-WAYWQWQTSA-N 0 0 348.185 4.220 50 30 EIEARN Cc1nn(Cc2ccccc2)c(C)c1/C=C\C(=O)c1ccc(C#N)cc1 ZINC000096766322 1041611389 /nfs/dbraw/zinc/61/13/89/1041611389.db2.gz SAGDFWLCVXQOPH-SEYXRHQNSA-N 0 0 341.414 4.316 50 30 EIEARN C[C@H](NC(=O)C=CCOc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000328592714 1042689429 /nfs/dbraw/zinc/68/94/29/1042689429.db2.gz PWEDXKXVOBFTCL-PXTSUWAFSA-N 0 0 339.391 4.111 50 30 EIEARN CN(C)N=C/C=C1\CCC/C(=C/c2ccc(Br)cc2)C1=O ZINC000606347739 1043066946 /nfs/dbraw/zinc/06/69/46/1043066946.db2.gz WNLYOMKRZVPKDH-RSMIUEOUSA-N 0 0 347.256 4.059 50 30 EIEARN C[C@H](NCc1ccc(C#N)cc1)c1ccc(C(F)(F)F)nc1Cl ZINC000585086140 1049452198 /nfs/dbraw/zinc/45/21/98/1049452198.db2.gz MBHUABYAVQDSMN-JTQLQIEISA-N 0 0 339.748 4.476 50 30 EIEARN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(C(F)(F)F)nc1Cl ZINC000585086141 1049453846 /nfs/dbraw/zinc/45/38/46/1049453846.db2.gz MBHUABYAVQDSMN-SNVBAGLBSA-N 0 0 339.748 4.476 50 30 EIEARN N#CC1(C(=O)Nc2cnc3c(F)c(F)ccc3c2Cl)CCCC1 ZINC000585125557 1049591454 /nfs/dbraw/zinc/59/14/54/1049591454.db2.gz XCQVUHRLQJMZEX-UHFFFAOYSA-N 0 0 335.741 4.189 50 30 EIEARN C#CCCC1(CCC(=O)N[C@H]2CCCOc3c(Cl)cccc32)N=N1 ZINC000952879276 1049679907 /nfs/dbraw/zinc/67/99/07/1049679907.db2.gz CRNGUJWDWFNANW-HNNXBMFYSA-N 0 0 345.830 4.026 50 30 EIEARN C#CCOc1cc(C(=O)Nc2ccccc2SCC)ccc1OC ZINC000952986846 1049691412 /nfs/dbraw/zinc/69/14/12/1049691412.db2.gz LCLJTIVMDIOJIO-UHFFFAOYSA-N 0 0 341.432 4.072 50 30 EIEARN CC(Cn1nc(C)cc1C)=NOCc1csc(C2CCCC2)n1 ZINC000263627212 1050223360 /nfs/dbraw/zinc/22/33/60/1050223360.db2.gz MGIPWJPRFCJGRK-UHFFFAOYSA-N 0 0 332.473 4.207 50 30 EIEARN C=CCS[C@H](C)C(=O)Nc1ccc(NC(=O)c2coc(C)c2)cc1 ZINC000055270621 214298924 /nfs/dbraw/zinc/29/89/24/214298924.db2.gz MLQQAHRDYXPWPM-CYBMUJFWSA-N 0 0 344.436 4.087 50 30 EIEARN CCOc1cc(/C=C2/CCc3cc(OC)ccc3C2=O)ccc1OC ZINC000097993414 219066384 /nfs/dbraw/zinc/06/63/84/219066384.db2.gz OQNHXPRBLFRPDT-WJDWOHSUSA-N 0 0 338.403 4.315 50 30 EIEARN NC(=S)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000004579147 210225347 /nfs/dbraw/zinc/22/53/47/210225347.db2.gz KWSGDWYLHBZJOQ-BSYVCWPDSA-N 0 0 345.471 4.134 50 30 EIEARN Cc1nc(S[C@H](C)C(=O)NC2CCCCCC2)c(C#N)c(C)c1C ZINC000007188801 201714104 /nfs/dbraw/zinc/71/41/04/201714104.db2.gz OMFQIHXQQQEEPL-OAHLLOKOSA-N 0 0 345.512 4.198 50 30 EIEARN C[C@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2ccc(F)cc2)C1 ZINC000009009991 201765467 /nfs/dbraw/zinc/76/54/67/201765467.db2.gz HCJQGEGNSOSYCG-ODXCJYRJSA-N 0 0 347.393 4.443 50 30 EIEARN Cc1nc2ccc(Cl)cc2cc1C(=O)OCc1ccc(C#N)cc1 ZINC000010468098 201799837 /nfs/dbraw/zinc/79/98/37/201799837.db2.gz QOXAWUOMEGEWAW-UHFFFAOYSA-N 0 0 336.778 4.425 50 30 EIEARN O=C1CCCC2=C1[C@H](c1ccncc1)c1c(ccc3ncccc31)N2 ZINC000012375233 201842550 /nfs/dbraw/zinc/84/25/50/201842550.db2.gz AYSPYVHHXPNIKX-LJQANCHMSA-N 0 0 327.387 4.194 50 30 EIEARN COc1ccc2c(c1)-c1nc(/N=C/c3ccccc3O)sc1CC2 ZINC000013126739 201886581 /nfs/dbraw/zinc/88/65/81/201886581.db2.gz IKIQEDZACVLUJI-RGVLZGJSSA-N 0 0 336.416 4.374 50 30 EIEARN C=C(C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000004033486 210104577 /nfs/dbraw/zinc/10/45/77/210104577.db2.gz AUYFWUOHXYLSEW-SFHVURJKSA-N 0 0 345.446 4.129 50 30 EIEARN N#Cc1ccccc1Cn1cnc2cc(-c3ccccc3)sc2c1=O ZINC000014116145 201926988 /nfs/dbraw/zinc/92/69/88/201926988.db2.gz JZRPVOKNDPYDOV-UHFFFAOYSA-N 0 0 343.411 4.045 50 30 EIEARN Nc1ccccc1NC(=CC(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000003765129 210073328 /nfs/dbraw/zinc/07/33/28/210073328.db2.gz MIJUGNQWTZIAEM-UVTDQMKNSA-N 0 0 338.304 4.191 50 30 EIEARN CC/N=C1\S/C(=C\c2cc(C(C)C)c(OC)cc2C)C(=O)N1CC ZINC000015225505 201952985 /nfs/dbraw/zinc/95/29/85/201952985.db2.gz WTAFHYYWYDQBIL-WGZDZCCCSA-N 0 0 346.496 4.439 50 30 EIEARN COc1ccccc1-c1nc(C#N)c(NCc2ccc(Cl)cc2)o1 ZINC000016779452 201979892 /nfs/dbraw/zinc/97/98/92/201979892.db2.gz ZVKLTDFQQSNFQP-UHFFFAOYSA-N 0 0 339.782 4.487 50 30 EIEARN C=CCOc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 ZINC000002674204 209888413 /nfs/dbraw/zinc/88/84/13/209888413.db2.gz RFDKOGXAJBAMJH-GDNBJRDFSA-N 0 0 333.478 4.109 50 30 EIEARN COc1ccc([C@H]2CC(=O)C3C=Nc4ccccc4N=C3C2)c(OC)c1 ZINC000018244396 201996215 /nfs/dbraw/zinc/99/62/15/201996215.db2.gz HQFCPBBJQDMCPE-CYBMUJFWSA-N 0 0 348.402 4.232 50 30 EIEARN Cc1ccccc1[C@@H]1C2=C(CCCC2=O)N=C2c3ccccc3C(=O)[C@@H]21 ZINC000019236974 202001423 /nfs/dbraw/zinc/00/14/23/202001423.db2.gz NFVIYIMDCUFFDP-TZIWHRDSSA-N 0 0 341.410 4.401 50 30 EIEARN N#Cc1ccc(NC(=O)c2ccccc2SC[C@H]2CCCO2)cc1 ZINC000019309788 202003956 /nfs/dbraw/zinc/00/39/56/202003956.db2.gz HYNZBNYIFXTQFR-MRXNPFEDSA-N 0 0 338.432 4.082 50 30 EIEARN Cc1cccc([C@@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@@H]32)c1 ZINC000019758147 202018811 /nfs/dbraw/zinc/01/88/11/202018811.db2.gz ZXQIBROJZVFLES-TZIWHRDSSA-N 0 0 341.410 4.401 50 30 EIEARN CC(C)(C)c1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019771386 202019755 /nfs/dbraw/zinc/01/97/55/202019755.db2.gz RMYIUGFSRSMNJR-HAVVHWLPSA-N 0 0 335.495 4.136 50 30 EIEARN CSc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 ZINC000019881730 202025652 /nfs/dbraw/zinc/02/56/52/202025652.db2.gz CMRICYYRXBTRKD-UHFFFAOYSA-N 0 0 339.460 4.110 50 30 EIEARN Cc1nc(N[C@H](C)Cc2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000020840565 202056056 /nfs/dbraw/zinc/05/60/56/202056056.db2.gz RBRXNMUAENMZRW-CQSZACIVSA-N 0 0 335.451 4.156 50 30 EIEARN C/C(=N\N1CCN(Cc2ccc(C)cc2)CC1)c1ccccc1Cl ZINC000023674817 202107065 /nfs/dbraw/zinc/10/70/65/202107065.db2.gz DGHBYWFUZOBFRN-OQKWZONESA-N 0 0 341.886 4.190 50 30 EIEARN Cc1sc(NC(=O)Cc2csc(-c3ccco3)n2)c(C#N)c1C ZINC000024590125 202117603 /nfs/dbraw/zinc/11/76/03/202117603.db2.gz FTEZHMKCNZDVTR-UHFFFAOYSA-N 0 0 343.433 4.134 50 30 EIEARN C[C@H](Sc1ccc(C#N)cn1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000024774065 202120771 /nfs/dbraw/zinc/12/07/71/202120771.db2.gz QCSLYWJOAJSVEN-ZDUSSCGKSA-N 0 0 339.464 4.370 50 30 EIEARN COc1ccc(Cl)cc1NC1=C(Cl)C(=O)c2ccccc2C1=O ZINC000025558080 202133011 /nfs/dbraw/zinc/13/30/11/202133011.db2.gz UKYAUVVSJPRQEU-UHFFFAOYSA-N 0 0 348.185 4.290 50 30 EIEARN Cn1nccc1/C=C(/C(=O)c1ccccc1)c1nc2ccccc2s1 ZINC000026432429 202143799 /nfs/dbraw/zinc/14/37/99/202143799.db2.gz DJNYTCGWOLOPES-SSZFMOIBSA-N 0 0 345.427 4.453 50 30 EIEARN Cc1ccc(-c2ccc(C(=O)Nc3ccccc3C#N)o2)cc1[N+](=O)[O-] ZINC000028048565 202164422 /nfs/dbraw/zinc/16/44/22/202164422.db2.gz QXXFGDGGELVBLM-UHFFFAOYSA-N 0 0 347.330 4.287 50 30 EIEARN Cc1ccc(C)c(S(=O)(=O)/N=C(/Cl)c2ccc(Cl)cc2)c1 ZINC000000457452 209612806 /nfs/dbraw/zinc/61/28/06/209612806.db2.gz WCLOQSDEXRUVKI-OBGWFSINSA-N 0 0 342.247 4.331 50 30 EIEARN C=C(C)CSc1nc2sc3c(c2c(N)n1)C[C@](C)(CC)OC3 ZINC000000447342 209605680 /nfs/dbraw/zinc/60/56/80/209605680.db2.gz FVBRBCFOHWLIGZ-INIZCTEOSA-N 0 0 335.498 4.183 50 30 EIEARN CC(=O)Nc1cccc(Nc2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000032808913 202235522 /nfs/dbraw/zinc/23/55/22/202235522.db2.gz RFIIMPPENKZJEU-UHFFFAOYSA-N 0 0 334.404 4.384 50 30 EIEARN Oc1ccc(Br)cc1C=NNc1ccc2ccccc2n1 ZINC000033162131 202251580 /nfs/dbraw/zinc/25/15/80/202251580.db2.gz IDPOFDYEBLHNSH-ZDLGFXPLSA-N 0 0 342.196 4.149 50 30 EIEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3ccco3)C2=N)S1 ZINC000033354101 202260080 /nfs/dbraw/zinc/26/00/80/202260080.db2.gz PHZBHOFQWVWWAJ-DTIOJQSLSA-N 0 0 344.440 4.259 50 30 EIEARN COCc1cc(C)nc(N=NCc2cccc(Cl)c2Cl)c1C#N ZINC000033957534 202270939 /nfs/dbraw/zinc/27/09/39/202270939.db2.gz WCWGXXRMVAZHOH-DNTJNYDQSA-N 0 0 349.221 4.161 50 30 EIEARN CSc1ccc(C(=O)/C=C2\C(=O)Nc3c2cccc3Cl)cc1 ZINC000035686355 202308406 /nfs/dbraw/zinc/30/84/06/202308406.db2.gz ARBPNXGTTYBGCZ-LCYFTJDESA-N 0 0 329.808 4.280 50 30 EIEARN Cc1ccc(NC2=N[C@H]3N=C(c4ccc(C)cc4)S[C@H]3S2)cc1 ZINC000041097510 202472229 /nfs/dbraw/zinc/47/22/29/202472229.db2.gz MNVUGUZSNAZIGP-WBVHZDCISA-N 0 0 339.489 4.473 50 30 EIEARN O=C1c2cc(F)ccc2OCC/C1=C\c1cnn(Cc2ccccc2)c1 ZINC000029217669 201064658 /nfs/dbraw/zinc/06/46/58/201064658.db2.gz BTAUOEZUKLKWCD-LICLKQGHSA-N 0 0 348.377 4.119 50 30 EIEARN CCN(CC)C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O ZINC000005388380 201361995 /nfs/dbraw/zinc/36/19/95/201361995.db2.gz GGXUTMUALBDYNA-WJDWOHSUSA-N 0 0 341.363 4.045 50 30 EIEARN CCOc1cc(/C=C/C(=O)/C=C/c2cccc(OC)c2)ccc1OC ZINC000007335098 201362665 /nfs/dbraw/zinc/36/26/65/201362665.db2.gz GWAXTOCWSMPUNW-HZOWPXDZSA-N 0 0 338.403 4.398 50 30 EIEARN CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O ZINC000009419969 201362685 /nfs/dbraw/zinc/36/26/85/201362685.db2.gz IAQNXMPUUJJAHL-MFOYZWKCSA-N 0 0 326.323 4.003 50 30 EIEARN COc1ccc(/C=C2/COc3ccccc3C2=O)cc1OCC(C)C ZINC000006951689 201363773 /nfs/dbraw/zinc/36/37/73/201363773.db2.gz PLRAPGPLLXYPQX-YBEGLDIGSA-N 0 0 338.403 4.389 50 30 EIEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(C)cc1)O2 ZINC000020624352 201369887 /nfs/dbraw/zinc/36/98/87/201369887.db2.gz AKRQFJOAPRSHKS-UNOMPAQXSA-N 0 0 337.419 4.159 50 30 EIEARN N#Cc1ccc(Sc2nc3c(n2-c2ccccc2)CCCC3)nc1 ZINC000058381368 202762765 /nfs/dbraw/zinc/76/27/65/202762765.db2.gz XBUYCICJJDDHIZ-UHFFFAOYSA-N 0 0 332.432 4.169 50 30 EIEARN COC(OC)c1ccc(C#N)c(SCc2ccc(Cl)cc2)n1 ZINC000000123447 201438521 /nfs/dbraw/zinc/43/85/21/201438521.db2.gz KUCVIIDFTSKXSQ-UHFFFAOYSA-N 0 0 334.828 4.190 50 30 EIEARN Cc1nc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)c(C#N)cc1C(=O)[O-] ZINC000215691996 241140348 /nfs/dbraw/zinc/14/03/48/241140348.db2.gz KZZBTGZLBMHDQT-HNNXBMFYSA-N 0 0 349.434 4.174 50 30 EIEARN N#Cc1cccc(C(=O)N2CCS[C@@H](c3ccccc3F)CC2)c1 ZINC000219112049 241364934 /nfs/dbraw/zinc/36/49/34/241364934.db2.gz RESNULXFVZGOFD-GOSISDBHSA-N 0 0 340.423 4.018 50 30 EIEARN COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 ZINC000001514013 201510969 /nfs/dbraw/zinc/51/09/69/201510969.db2.gz OGBXHTJFOJQVIC-UHFFFAOYSA-N 0 0 328.371 4.486 50 30 EIEARN Fc1ccc(NC(=S)N/N=C/c2c(Cl)cccc2Cl)cc1 ZINC000001708413 201516897 /nfs/dbraw/zinc/51/68/97/201516897.db2.gz WBDOUSKIVQKCMP-QGMBQPNBSA-N 0 0 342.226 4.453 50 30 EIEARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000002764483 201543952 /nfs/dbraw/zinc/54/39/52/201543952.db2.gz UXSCSIHUFKBDPZ-SNVBAGLBSA-N 0 0 346.839 4.168 50 30 EIEARN CCc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C#N)c3N2)s1 ZINC000002747886 201543076 /nfs/dbraw/zinc/54/30/76/201543076.db2.gz NWPUUVVZNBQRDQ-ZYHUDNBSSA-N 0 0 326.347 4.039 50 30 EIEARN N#CCc1nc(CSc2nc3ccc([N+](=O)[O-])cc3s2)cs1 ZINC000003191477 201559514 /nfs/dbraw/zinc/55/95/14/201559514.db2.gz JQJFNRVNINVTNP-UHFFFAOYSA-N 0 0 348.434 4.019 50 30 EIEARN Cn1c2ccccc2nc1[C@H](C#N)C(=O)Cc1cccc2ccccc21 ZINC000003259934 201562216 /nfs/dbraw/zinc/56/22/16/201562216.db2.gz BCLZKFVTBSVMKN-GOSISDBHSA-N 0 0 339.398 4.145 50 30 aggregator EIEARN Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(Br)s1 ZINC000004309434 201596621 /nfs/dbraw/zinc/59/66/21/201596621.db2.gz IVBVWVWNCCOLFD-VGOFMYFVSA-N 0 0 325.187 4.478 50 30 EIEARN Cc1nc(-c2ccccc2)nc(NN=Cc2ccccc2[N+](=O)[O-])c1C ZINC000004947153 201629505 /nfs/dbraw/zinc/62/95/05/201629505.db2.gz MNPBCAWCIDLDPT-UDWIEESQSA-N 0 0 347.378 4.115 50 30 EIEARN CCOc1ccccc1CN=Nc1ncnc2sc(C)c(C)c21 ZINC000005053859 201636642 /nfs/dbraw/zinc/63/66/42/201636642.db2.gz RKDMSMJFKUCXRN-AWQFTUOYSA-N 0 0 326.425 4.153 50 30 EIEARN CS[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000069652904 203032044 /nfs/dbraw/zinc/03/20/44/203032044.db2.gz FBEXTQKVOMLIHZ-VIFPVBQESA-N 0 0 348.415 4.401 50 30 EIEARN O=C1Nc2c(cc(F)cc2Br)C1=NOCc1ccccc1 ZINC000069508312 203009761 /nfs/dbraw/zinc/00/97/61/203009761.db2.gz HURKTGMAKBQUND-UHFFFAOYSA-N 0 0 349.159 4.111 50 30 EIEARN CO[C@](C)(C(=O)C(C#N)c1nc2ccccc2s1)c1ccccc1 ZINC000069697514 203037477 /nfs/dbraw/zinc/03/74/77/203037477.db2.gz DNKHGTCLNNKHFC-LIRRHRJNSA-N 0 0 336.416 4.034 50 30 EIEARN Cc1ccc(N(CCC#N)C(=O)c2ncoc2-c2cccs2)cc1 ZINC000071886403 203137716 /nfs/dbraw/zinc/13/77/16/203137716.db2.gz BEWBULGCZSZYTA-UHFFFAOYSA-N 0 0 337.404 4.272 50 30 EIEARN CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OC(C)=O ZINC000020175816 212109762 /nfs/dbraw/zinc/10/97/62/212109762.db2.gz ULXUKXASBGVHLN-WQRHYEAKSA-N 0 0 340.400 4.340 50 30 EIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc2cccnc21 ZINC000020012567 212094056 /nfs/dbraw/zinc/09/40/56/212094056.db2.gz UAUGITJXXVSWFT-UHFFFAOYSA-N 0 0 342.358 4.051 50 30 EIEARN CN(C)c1ccc(C(=O)/C=C\c2cccc(Br)c2)cc1 ZINC000096765831 203897384 /nfs/dbraw/zinc/89/73/84/203897384.db2.gz HKADDJINKQEVLY-WDZFZDKYSA-N 0 0 330.225 4.411 50 30 EIEARN CC1(C)CC(=O)C(=CNC(c2ccccc2)c2ccccc2)C(=O)C1 ZINC000100441233 203993510 /nfs/dbraw/zinc/99/35/10/203993510.db2.gz CXFOSGNCWLDKFK-UHFFFAOYSA-N 0 0 333.431 4.208 50 30 EIEARN O=C1/C(=N\c2cccc(C(F)(F)F)c2)c2cccc3c2N1CCC3 ZINC000101763709 204020619 /nfs/dbraw/zinc/02/06/19/204020619.db2.gz ZHIIVHHOOTYDNW-JCMHNJIXSA-N 0 0 330.309 4.119 50 30 EIEARN O=[N+]([O-])c1cccc(/C=N/c2c(-c3ccco3)nc3ccccn32)c1 ZINC000103754347 204085721 /nfs/dbraw/zinc/08/57/21/204085721.db2.gz ZJIAKMSJDBSOSG-XDHOZWIPSA-N 0 0 332.319 4.253 50 30 EIEARN CCOc1cc(/C=N/c2ccc(NC(C)=O)cc2)cc(Cl)c1OC ZINC000103731534 204086246 /nfs/dbraw/zinc/08/62/46/204086246.db2.gz AAFOWNFHRFSSJV-RGVLZGJSSA-N 0 0 346.814 4.456 50 30 EIEARN COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2C#N)cc1 ZINC000102707964 204047498 /nfs/dbraw/zinc/04/74/98/204047498.db2.gz YOMXBZOEGGDXGK-REPLKXPHSA-N 0 0 346.430 4.118 50 30 EIEARN C=CCNC(=O)c1cc2sc(C)cc2n1Cc1cccc(F)c1 ZINC000037526230 204273527 /nfs/dbraw/zinc/27/35/27/204273527.db2.gz KCOKSHGAJOFPLL-UHFFFAOYSA-N 0 0 328.412 4.114 50 30 EIEARN C=CCN1Cc2c3c(sc2N(C(=O)c2ccccc2)C1)CCCC3 ZINC000019201943 212004410 /nfs/dbraw/zinc/00/44/10/212004410.db2.gz VAXJFSSDLGPNRD-UHFFFAOYSA-N 0 0 338.476 4.233 50 30 EIEARN CCc1cc(C#N)c(NC(=O)c2sccc2Br)s1 ZINC000126822422 205073509 /nfs/dbraw/zinc/07/35/09/205073509.db2.gz JVCDWALHRNDNFX-UHFFFAOYSA-N 0 0 341.255 4.258 50 30 EIEARN C[C@@H]1CC(C)(C)N2C(=O)/C(=N/c3ccc4c(c3)OCO4)c3cccc1c32 ZINC000100417569 206238827 /nfs/dbraw/zinc/23/88/27/206238827.db2.gz OGJCKFDWRAVTEV-JZECQHRXSA-N 0 0 348.402 4.169 50 30 EIEARN N#Cc1ccc(OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000006551226 206517788 /nfs/dbraw/zinc/51/77/88/206517788.db2.gz ASWUXGHBBBPWJA-UHFFFAOYSA-N 0 0 328.371 4.243 50 30 EIEARN C#CCN(Cc1ccco1)Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000012445476 211385226 /nfs/dbraw/zinc/38/52/26/211385226.db2.gz LEPFUQPQIFTWIN-UHFFFAOYSA-N 0 0 341.414 4.458 50 30 EIEARN CCN(C(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccc(C#N)c(Cl)c1 ZINC000089969429 217898384 /nfs/dbraw/zinc/89/83/84/217898384.db2.gz DUGRMQMIOOKQDH-CQSZACIVSA-N 0 0 342.826 4.341 50 30 EIEARN C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(C)cc1 ZINC000012062913 211284276 /nfs/dbraw/zinc/28/42/76/211284276.db2.gz KGIVIHQPBGXYKH-IBGZPJMESA-N 0 0 345.398 4.141 50 30 EIEARN C=CCOc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 ZINC000009231751 211056140 /nfs/dbraw/zinc/05/61/40/211056140.db2.gz CCCGNEHVOUHBTI-UHFFFAOYSA-N 0 0 338.407 4.098 50 30 EIEARN C=CCOc1ccc(C(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1 ZINC000008869076 211014031 /nfs/dbraw/zinc/01/40/31/211014031.db2.gz WJUBYKCIMXVQTB-UHFFFAOYSA-N 0 0 334.375 4.467 50 30 EIEARN N#Cc1cccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)c1 ZINC000012062410 207062729 /nfs/dbraw/zinc/06/27/29/207062729.db2.gz AVAHTRXQOSTYDH-UHFFFAOYSA-N 0 0 340.338 4.070 50 30 EIEARN C=CCOc1cccc(C(=O)Nc2ccccc2NC(=O)CCC)c1 ZINC000004870005 210308717 /nfs/dbraw/zinc/30/87/17/210308717.db2.gz ONDFZCIPDBQOLT-UHFFFAOYSA-N 0 0 338.407 4.242 50 30 EIEARN CNc1ccccc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)c1=O ZINC000097474744 219027948 /nfs/dbraw/zinc/02/79/48/219027948.db2.gz OMBMSKYKLFKUDF-FLIBITNWSA-N 0 0 333.309 4.003 50 30 EIEARN CNc1ccccc(C(=O)/C=C\c2c(Cl)cccc2Cl)c1=O ZINC000097474718 219028430 /nfs/dbraw/zinc/02/84/30/219028430.db2.gz CIVZJCNZWGTDAO-KTKRTIGZSA-N 0 0 334.202 4.291 50 30 EIEARN Cc1ccc(CSc2nncn2/N=C/c2c[nH]c3ccccc23)cc1 ZINC000011991894 257860045 /nfs/dbraw/zinc/86/00/45/257860045.db2.gz ZEYLHNVYXIIZHO-SSDVNMTOSA-N 0 0 347.447 4.242 50 30 EIEARN Cc1cc(C)nc(S/C=C/C(=O)c2cccc(Br)c2)n1 ZINC000000133888 258047705 /nfs/dbraw/zinc/04/77/05/258047705.db2.gz VKKNXGXXFFNEPS-VOTSOKGWSA-N 0 0 349.253 4.345 50 30 EIEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1ccccc1C ZINC000006701242 258044776 /nfs/dbraw/zinc/04/47/76/258044776.db2.gz KXFJBBHNUCWIGX-UHFFFAOYSA-N 0 0 348.406 4.265 50 30 EIEARN O=C(Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1)c1cccc(=O)[nH]1 ZINC000330033044 258002104 /nfs/dbraw/zinc/00/21/04/258002104.db2.gz VTUDGHPZUSPZIE-UHFFFAOYSA-N 0 0 349.177 4.120 50 30 EIEARN Cc1sc(NC(=O)c2cnnn2C)nc1-c1cccc2ccccc21 ZINC000330032929 258002214 /nfs/dbraw/zinc/00/22/14/258002214.db2.gz VBJDGOQNOBHCLW-UHFFFAOYSA-N 0 0 349.419 4.037 50 30 EIEARN CC[C@H](CCO)NC(=O)C(C)(C)c1csc(-c2cccs2)n1 ZINC000330032262 258002620 /nfs/dbraw/zinc/00/26/20/258002620.db2.gz KFNXEYDTYSSGDU-LLVKDONJSA-N 0 0 338.498 4.267 50 30 EIEARN CCCC[C@H](C)C(=O)Nc1ccc(CS(C)(=O)=O)c(Cl)c1 ZINC000330032075 258002796 /nfs/dbraw/zinc/00/27/96/258002796.db2.gz HVHMRHALELYDCL-NSHDSACASA-N 0 0 331.865 4.299 50 30 EIEARN N#C[C@H](Cc1ccccc1)Sc1nnc(C2CC2)n1-c1ccccc1 ZINC000006609940 258052397 /nfs/dbraw/zinc/05/23/97/258052397.db2.gz DQIUJEXYZOIBAD-SFHVURJKSA-N 0 0 346.459 4.372 50 30 EIEARN COc1ccc(C(=O)C=CNc2ccc(OC(F)(F)F)cc2)cc1 ZINC000013467537 258056257 /nfs/dbraw/zinc/05/62/57/258056257.db2.gz OLKVKLRZDGAKND-KHPPLWFESA-N 0 0 337.297 4.402 50 30 EIEARN CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@]4(C)CC(=O)C=C[C@@H]4[C@H]3CC[C@]21C ZINC000257346573 258073637 /nfs/dbraw/zinc/07/36/37/258073637.db2.gz SYCFUMIHMFWFGR-MEBXZZOTSA-N 0 0 330.468 4.306 50 30 EIEARN C/C(=N\N)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N\N)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000252320842 518457032 /nfs/dbraw/zinc/45/70/32/518457032.db2.gz WVLSVRGWXOQKDI-BAYSHUEISA-N 0 0 342.531 4.215 50 30 EIEARN C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)C1CCCCC1 ZINC000004513063 518796767 /nfs/dbraw/zinc/79/67/67/518796767.db2.gz IKKADAKKOJKQSP-UHFFFAOYSA-N 0 0 339.439 4.140 50 30 EIEARN C=CCNC(=O)[C@H](C)SCc1csc(-c2ccc(C)cc2)n1 ZINC000031411914 518924589 /nfs/dbraw/zinc/92/45/89/518924589.db2.gz NVRDSKBBZFSQEB-ZDUSSCGKSA-N 0 0 332.494 4.042 50 30 EIEARN C=CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000003491696 519034931 /nfs/dbraw/zinc/03/49/31/519034931.db2.gz HQKLOTGDMRWIDO-QGZVFWFLSA-N 0 0 338.451 4.019 50 30 EIEARN C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccccc1 ZINC000000527766 519233855 /nfs/dbraw/zinc/23/38/55/519233855.db2.gz QBTGIQKOPHCCRP-UHFFFAOYSA-N 0 0 335.432 4.106 50 30 EIEARN CC(=O)Nc1cccc(C(=O)/C=C/c2ccccc2OC(F)F)c1 ZINC000006341115 519735617 /nfs/dbraw/zinc/73/56/17/519735617.db2.gz OKSGTRKCNLCCOX-MDZDMXLPSA-N 0 0 331.318 4.143 50 30 EIEARN CC(C)[C@@H](CNC(=O)c1ccccc1SCC#N)c1ccccc1 ZINC000027629218 519794669 /nfs/dbraw/zinc/79/46/69/519794669.db2.gz YYGPOPJMRHYCEY-GOSISDBHSA-N 0 0 338.476 4.472 50 30 EIEARN CCCCCCCCOC(=O)CSc1nc2c(cc1C#N)CCC2 ZINC000097949744 520039902 /nfs/dbraw/zinc/03/99/02/520039902.db2.gz HEZRKIJICUIEEJ-UHFFFAOYSA-N 0 0 346.496 4.438 50 30 EIEARN CCC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc(C)c1 ZINC000006394050 520179578 /nfs/dbraw/zinc/17/95/78/520179578.db2.gz HNBJWFBOYNFHCP-UHFFFAOYSA-N 0 0 343.343 4.059 50 30 EIEARN CCCOc1ccc(/C=C\C(=O)c2ccc3c(c2)OCO3)cc1OC ZINC000033469991 520320262 /nfs/dbraw/zinc/32/02/62/520320262.db2.gz OJDHOZZMGZMKSH-DAXSKMNVSA-N 0 0 340.375 4.109 50 30 EIEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(F)cc1 ZINC000004626424 521026701 /nfs/dbraw/zinc/02/67/01/521026701.db2.gz YZUGRMIYLDTCFB-KDOFPFPSSA-N 0 0 347.430 4.327 50 30 EIEARN CCCC[C@H](CC)CN1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000005010621 521170003 /nfs/dbraw/zinc/17/00/03/521170003.db2.gz JPUSZXSGUYPIEV-ZDUSSCGKSA-N 0 0 343.496 4.025 50 30 EIEARN COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc(OC(C)C)cc2)c1C ZINC000004023517 521748334 /nfs/dbraw/zinc/74/83/34/521748334.db2.gz UBCGYRVKOUXAFT-DHZHZOJOSA-N 0 0 341.407 4.101 50 30 biogenic EIEARN COc1ccccc1C(=O)N=C(Nc1ccccc1)Nc1ccccc1 ZINC000006389329 524346296 /nfs/dbraw/zinc/34/62/96/524346296.db2.gz OMCJNZUIWJKKGU-UHFFFAOYSA-N 0 0 345.402 4.416 50 30 EIEARN Cc1ccc(C[C@H](C#N)Sc2n[nH]c(-c3ccccc3F)n2)cc1 ZINC000006879658 524668675 /nfs/dbraw/zinc/66/86/75/524668675.db2.gz IANQOVCNFWJSJC-CQSZACIVSA-N 0 0 338.411 4.146 50 30 EIEARN Cc1ccccc1CN=Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000005274502 525040674 /nfs/dbraw/zinc/04/06/74/525040674.db2.gz IFTWIIGQJPRPDD-VCHYOVAHSA-N 0 0 338.392 4.473 50 30 EIEARN COc1ccc([C@@H](CC(=O)c2ccc(C)c(C)c2)C(C#N)C#N)cc1 ZINC000042384919 525174165 /nfs/dbraw/zinc/17/41/65/525174165.db2.gz QDUOCBWAKGHNSP-HXUWFJFHSA-N 0 0 332.403 4.332 50 30 EIEARN Cc1ccc(OCc2nnc(NC(=O)c3cccs3)s2)cc1 ZINC000008742481 525449486 /nfs/dbraw/zinc/44/94/86/525449486.db2.gz PVMZRAOOWNTRGN-UHFFFAOYSA-N 0 0 331.422 4.123 50 30 EIEARN Cc1ccsc1/C=N/n1cnnc1SCc1ccc(Cl)cc1 ZINC000001917950 525816351 /nfs/dbraw/zinc/81/63/51/525816351.db2.gz OPGFLTVAGIGEDQ-QGMBQPNBSA-N 0 0 348.884 4.476 50 30 EIEARN C=CCOc1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000006703725 564117480 /nfs/dbraw/zinc/11/74/80/564117480.db2.gz XEVLZBNSQUEESV-UHFFFAOYSA-N 0 0 332.197 4.266 50 30 EIEARN COc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(Br)s1 ZINC000000095341 563223837 /nfs/dbraw/zinc/22/38/37/563223837.db2.gz VAZAIBKKYFPTCE-VGOFMYFVSA-N 0 0 341.186 4.178 50 30 EIEARN Cc1cc(F)ccc1NC(=O)NC(C)(C(F)(F)F)C(F)(F)F ZINC000002096149 563422407 /nfs/dbraw/zinc/42/24/07/563422407.db2.gz UNFYFKYLWKJEKQ-UHFFFAOYSA-N 0 0 332.219 4.139 50 30 EIEARN Cc1c(/N=C/c2cccc3ccccc23)c(=O)n(-c2ccccc2)n1C ZINC000000061129 563214123 /nfs/dbraw/zinc/21/41/23/563214123.db2.gz ZYDMCNSESYBGKM-HZHRSRAPSA-N 0 0 341.414 4.388 50 30 EIEARN COc1ccc(/C=N/c2ccc(C(=O)c3ccccc3)cc2)cc1O ZINC000000095981 563224241 /nfs/dbraw/zinc/22/42/41/563224241.db2.gz PYNXQVIUWSOZLT-HYARGMPZSA-N 0 0 331.371 4.382 50 30 EIEARN N#CCc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000000126850 563236869 /nfs/dbraw/zinc/23/68/69/563236869.db2.gz WHRXUFAXVUYLBQ-UHFFFAOYSA-N 0 0 326.705 4.399 50 30 EIEARN N#C[C@@H](c1ccc([N+](=O)[O-])cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000000168584 563250336 /nfs/dbraw/zinc/25/03/36/563250336.db2.gz QKHYZVNJBQELIN-NSHDSACASA-N 0 0 341.676 4.317 50 30 EIEARN COc1ccc(C(=O)C(C#N)=NNc2ccc(Cl)cc2Cl)cc1 ZINC000000353345 563290547 /nfs/dbraw/zinc/29/05/47/563290547.db2.gz TVLKCCXFUNCFGK-RCCKNPSSSA-N 0 0 348.189 4.176 50 30 EIEARN COc1cccc(NC(=O)c2cc(C#N)c3c4ccccc4ccn23)c1 ZINC000000390764 563304155 /nfs/dbraw/zinc/30/41/55/563304155.db2.gz YAMCPCAPXVWANW-UHFFFAOYSA-N 0 0 341.370 4.225 50 30 EIEARN COc1ccc(NC(=O)O/N=C(\c2ccccc2)c2ccccn2)cc1 ZINC000000439234 563313483 /nfs/dbraw/zinc/31/34/83/563313483.db2.gz ZECGUGTYWDANMT-FCDQGJHFSA-N 0 0 347.374 4.091 50 30 EIEARN Clc1ccc(N2CCN(/N=C/C=C/c3ccccc3)CC2)cc1 ZINC000001740186 563409031 /nfs/dbraw/zinc/40/90/31/563409031.db2.gz RZNXTOSMGNXEAS-HJETYCPDSA-N 0 0 325.843 4.161 50 30 EIEARN N#C[C@@](CCc1ccc(Cl)cc1)(Cn1cncn1)c1ccccc1 ZINC000002382735 563430868 /nfs/dbraw/zinc/43/08/68/563430868.db2.gz RQDJADAKIFFEKQ-IBGZPJMESA-N 0 0 336.826 4.026 50 30 in-vitro EIEARN CCn1c(SCCC#N)nnc1-c1ccc2[nH]c(C)c(C)c2c1 ZINC000002821484 563452918 /nfs/dbraw/zinc/45/29/18/563452918.db2.gz CSUOHZOOHCBKCY-UHFFFAOYSA-N 0 0 325.441 4.069 50 30 EIEARN CN(C)/C=C/C(=O)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000003047141 563470326 /nfs/dbraw/zinc/47/03/26/563470326.db2.gz GTFKSAXQSBPCDT-MDZDMXLPSA-N 0 0 326.783 4.406 50 30 EIEARN N#CC1(C#N)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccccc1 ZINC000004182991 563496796 /nfs/dbraw/zinc/49/67/96/563496796.db2.gz YYDXDXFJSIRKMC-QEECUZNISA-N 0 0 330.431 4.219 50 30 EIEARN COc1ccc(CN=Nc2nc(-c3ccccc3)nc(C)c2C)cc1 ZINC000004595677 563505786 /nfs/dbraw/zinc/50/57/86/563505786.db2.gz QBZODBGBCYRJFM-FYJGNVAPSA-N 0 0 332.407 4.215 50 30 EIEARN CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1Cl ZINC000004854517 563513825 /nfs/dbraw/zinc/51/38/25/563513825.db2.gz XGFADMYYXYWKEG-INIZCTEOSA-N 0 0 335.831 4.205 50 30 EIEARN Cc1cc(C)c(C(=O)C(=Cc2cccs2)c2ccccc2)c(=O)[nH]1 ZINC000004954965 563516297 /nfs/dbraw/zinc/51/62/97/563516297.db2.gz PYYBCGGXTIEYBJ-SFQUDFHCSA-N 0 0 335.428 4.477 50 30 EIEARN CSc1nsc(S/C=C2\C(=O)[C@]3(C)CC[C@H]2C3(C)C)n1 ZINC000005304632 563525999 /nfs/dbraw/zinc/52/59/99/563525999.db2.gz WDQICADOAFQWTI-SWRBPZENSA-N 0 0 326.512 4.261 50 30 EIEARN Cc1cccc(-n2c(SCCCC#N)nc3ccccc3c2=O)c1 ZINC000006302554 563564452 /nfs/dbraw/zinc/56/44/52/563564452.db2.gz ZYEVWPQNKWSZEK-UHFFFAOYSA-N 0 0 335.432 4.090 50 30 EIEARN C=CC[C@]1(C#N)C(=S)NC(C)=C(C(C)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000006692766 563578177 /nfs/dbraw/zinc/57/81/77/563578177.db2.gz RAACWZDSRFHLJL-FUHWJXTLSA-N 0 0 344.867 4.303 50 30 EIEARN COc1ccc2c(c1)CC/C2=N\OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012371506 563658720 /nfs/dbraw/zinc/65/87/20/563658720.db2.gz CUFLJWWCWDOMKX-ZBJSNUHESA-N 0 0 339.435 4.105 50 30 EIEARN N#CCCSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 ZINC000004405158 563684746 /nfs/dbraw/zinc/68/47/46/563684746.db2.gz MJLATMRHXUCQIH-UHFFFAOYSA-N 0 0 342.374 4.218 50 30 EIEARN Cc1ccc(/N=C2/C(=O)Nc3ccc(Br)cc32)cc1C ZINC000013856334 563726912 /nfs/dbraw/zinc/72/69/12/563726912.db2.gz ALCVRADOYWYTNK-UHFFFAOYSA-N 0 0 329.197 4.139 50 30 EIEARN CCOc1cccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c1 ZINC000015016039 563772487 /nfs/dbraw/zinc/77/24/87/563772487.db2.gz YUTBCXLMTYJBBX-WJDWOHSUSA-N 0 0 342.395 4.116 50 30 EIEARN Clc1cccc(/C=N\N2CCN(c3ccccc3)CC2)c1Cl ZINC000015685152 563790594 /nfs/dbraw/zinc/79/05/94/563790594.db2.gz OBPKBUQJOKSURI-MOSHPQCFSA-N 0 0 334.250 4.150 50 30 EIEARN Cc1ccc(/N=C2/NC(=O)[C@H](Cc3ccc(Cl)cc3)S2)cc1 ZINC000017040820 563829790 /nfs/dbraw/zinc/82/97/90/563829790.db2.gz RHFFZUMVAICYEV-HNNXBMFYSA-N 0 0 330.840 4.110 50 30 EIEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C\C=C\c1ccco1 ZINC000018010202 563847092 /nfs/dbraw/zinc/84/70/92/563847092.db2.gz YXBPMLFSBLWLCH-OXTPFRESSA-N 0 0 330.796 4.381 50 30 EIEARN COc1ccc(-c2csc(C(C#N)C(=O)C[C@@H]3C=CCC3)n2)cc1 ZINC000058305123 563942082 /nfs/dbraw/zinc/94/20/82/563942082.db2.gz NXNBRXXYEAJERZ-CJNGLKHVSA-N 0 0 338.432 4.351 50 30 EIEARN CC(=O)c1c(F)cccc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000096409558 563950257 /nfs/dbraw/zinc/95/02/57/563950257.db2.gz ZMKJCMROIYBWGC-UHFFFAOYSA-N 0 0 343.242 4.349 50 30 EIEARN CCOc1ccc2c(c1)s/c(=N/N=C/C=C/c1ccccc1)n2C ZINC000004703539 563965858 /nfs/dbraw/zinc/96/58/58/563965858.db2.gz RBCZKDIUJRFWBS-HDSFLTNRSA-N 0 0 337.448 4.238 50 30 EIEARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(CC#N)cc1 ZINC000000037227 563968396 /nfs/dbraw/zinc/96/83/96/563968396.db2.gz CAAPHPPWTOJOHS-NSHDSACASA-N 0 0 349.217 4.465 50 30 EIEARN C=C(Cl)C[S@](=O)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000097164071 563968497 /nfs/dbraw/zinc/96/84/97/563968497.db2.gz XYWBWSXKONKWOA-HXUWFJFHSA-N 0 0 333.812 4.090 50 30 EIEARN Cc1sc(/N=C/c2cc(Br)ccc2O)c(C#N)c1C ZINC000000059340 563971245 /nfs/dbraw/zinc/97/12/45/563971245.db2.gz IEGLUYQXIVWKGV-REZTVBANSA-N 0 0 335.226 4.455 50 30 EIEARN Cc1ccc(-c2nnc(SCC#N)nc2-c2ccc(C)cc2)cc1 ZINC000004766865 563973610 /nfs/dbraw/zinc/97/36/10/563973610.db2.gz PGVYRZOTUGACAB-UHFFFAOYSA-N 0 0 332.432 4.438 50 30 EIEARN COCc1cc(C)nc(N=NCc2c(Cl)cccc2Cl)c1C#N ZINC000004811330 563975003 /nfs/dbraw/zinc/97/50/03/563975003.db2.gz UTAYYJSTWFBFPV-ZBKNUEDVSA-N 0 0 349.221 4.161 50 30 EIEARN Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1Cc1ccc(Cl)cc1 ZINC000100152372 563984178 /nfs/dbraw/zinc/98/41/78/563984178.db2.gz RFXOPZXFZUYPPA-UHFFFAOYSA-N 0 0 347.805 4.205 50 30 EIEARN C=CCc1cccc2cc(C(=O)Nc3ccccc3CC)c(=O)oc21 ZINC000000177086 563987699 /nfs/dbraw/zinc/98/76/99/563987699.db2.gz XIQFPSLDBFJLPU-UHFFFAOYSA-N 0 0 333.387 4.336 50 30 EIEARN Nc1nc(-c2cccs2)cn1/N=C/c1ccc(Cl)cc1Cl ZINC000000254989 563989556 /nfs/dbraw/zinc/98/95/56/563989556.db2.gz FEYZYUICUKTEHF-CNHKJKLMSA-N 0 0 337.235 4.383 50 30 EIEARN CC1(C)Cc2c(C#N)c(N)n(-c3ccccc3)c(=S)c2CS1 ZINC000000346210 563991393 /nfs/dbraw/zinc/99/13/93/563991393.db2.gz XNFRKGBOEKTRAQ-UHFFFAOYSA-N 0 0 327.478 4.229 50 30 EIEARN O=C(/C(=C/c1cccnc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000004851373 563992052 /nfs/dbraw/zinc/99/20/52/563992052.db2.gz CPYYSHRDCIUAKX-LGMDPLHJSA-N 0 0 325.371 4.381 50 30 EIEARN CCOc1ccc2c(c1)C(=O)/C(=C\NCc1ccc(F)cc1)S2 ZINC000100541960 563993624 /nfs/dbraw/zinc/99/36/24/563993624.db2.gz FMAFWNCWBDBFEU-GZTJUZNOSA-N 0 0 329.396 4.144 50 30 EIEARN C=CC[C@H](C(=O)N1CCC(c2nccs2)CC1)c1ccccc1 ZINC000241926487 563995871 /nfs/dbraw/zinc/99/58/71/563995871.db2.gz UGOWOBHVUPCNDN-KRWDZBQOSA-N 0 0 326.465 4.209 50 30 EIEARN C#CCSc1nc2ccccc2n1C(=O)/C=C/c1ccc(OC)cc1 ZINC000003876834 563997503 /nfs/dbraw/zinc/99/75/03/563997503.db2.gz BHWAQFRGZVFGHI-JLHYYAGUSA-N 0 0 348.427 4.124 50 30 EIEARN CSc1cccc(N=C2S/C(=C/c3cccnc3)C(=O)N2C)c1 ZINC000252623953 563998005 /nfs/dbraw/zinc/99/80/05/563998005.db2.gz PCWPAKLZGYLNGR-OXHXXULQSA-N 0 0 341.461 4.037 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccccc1C ZINC000000428069 563998862 /nfs/dbraw/zinc/99/88/62/563998862.db2.gz YNBGRWSAGLWYGH-VQIMIIECSA-N 0 0 340.444 4.376 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccccc1F ZINC000000428062 563998874 /nfs/dbraw/zinc/99/88/74/563998874.db2.gz ZMVMCBDAVKEEMP-KSSFIOAISA-N 0 0 344.407 4.207 50 30 EIEARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N=NC1CCCCC1 ZINC000005208176 564000634 /nfs/dbraw/zinc/00/06/34/564000634.db2.gz IKOJTYXVWQYEDY-UHFFFAOYSA-N 0 0 346.265 4.254 50 30 EIEARN C=CCSc1nc(-c2ccc(OC)cc2)nc2c1COC(C)(C)C2 ZINC000005244879 564001532 /nfs/dbraw/zinc/00/15/32/564001532.db2.gz RKWVHYYQIJEHPK-UHFFFAOYSA-N 0 0 342.464 4.282 50 30 EIEARN CC(C)=CCC[C@](C)(O)C#CCN1CCCC[C@H]1c1cccnc1 ZINC000061997607 564002639 /nfs/dbraw/zinc/00/26/39/564002639.db2.gz AFMPMXZCZYIPAS-SFTDATJTSA-N 0 0 326.484 4.109 50 30 biogenic EIEARN CC(C)=CCC[C@@](C)(O)C#CCN1CCCC[C@H]1c1cccnc1 ZINC000061997608 564002644 /nfs/dbraw/zinc/00/26/44/564002644.db2.gz AFMPMXZCZYIPAS-LEWJYISDSA-N 0 0 326.484 4.109 50 30 biogenic EIEARN CCCCCCCC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000102815902 564020724 /nfs/dbraw/zinc/02/07/24/564020724.db2.gz QMJJPCYZHMTGCU-UHFFFAOYSA-N 0 0 346.880 4.011 50 30 EIEARN C#Cc1cccc(N(C)C(=O)c2cnc(-c3ccccc3F)s2)c1 ZINC000103029461 564021192 /nfs/dbraw/zinc/02/11/92/564021192.db2.gz NPQJSCVZRYVNPO-UHFFFAOYSA-N 0 0 336.391 4.207 50 30 EIEARN CCc1sc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1C ZINC000103504481 564022582 /nfs/dbraw/zinc/02/25/82/564022582.db2.gz OVUIZVQTODAVLN-LLVKDONJSA-N 0 0 346.839 4.234 50 30 EIEARN Oc1ccccc1/C=N/NC(=S)Nc1ccc(Cl)cc1Cl ZINC000000547776 564022798 /nfs/dbraw/zinc/02/27/98/564022798.db2.gz OHEIELBOQISXOT-CAOOACKPSA-N 0 0 340.235 4.020 50 30 EIEARN O=C(C=CNc1ccc(I)cc1)c1ccccc1 ZINC000103849480 564023201 /nfs/dbraw/zinc/02/32/01/564023201.db2.gz QVXNCLZUAUSFIR-KHPPLWFESA-N 0 0 349.171 4.100 50 30 EIEARN Cc1ccc2c(CC(=O)Nc3n[nH]c(-c4ccccn4)n3)coc2c1C ZINC000047343209 564026130 /nfs/dbraw/zinc/02/61/30/564026130.db2.gz CCVVAIYCDITRLY-UHFFFAOYSA-N 0 0 347.378 4.060 50 30 EIEARN CC1(C)CC(=O)C(=CN=c2[nH]c3ccc(Cl)cc3s2)C(=O)C1 ZINC000044835297 564027281 /nfs/dbraw/zinc/02/72/81/564027281.db2.gz YYMUUMGHQXSDBS-UHFFFAOYSA-N 0 0 334.828 4.204 50 30 EIEARN O=C(C=CNc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000044842706 564027383 /nfs/dbraw/zinc/02/73/83/564027383.db2.gz GTVGNEMGZCLLOY-BQYQJAHWSA-N 0 0 335.281 4.243 50 30 EIEARN CCOC(=O)c1c2c(sc1NC=CC(=O)c1ccco1)CCCC2 ZINC000108864436 564028512 /nfs/dbraw/zinc/02/85/12/564028512.db2.gz OUDFFQCPAWETTH-KTKRTIGZSA-N 0 0 345.420 4.205 50 30 EIEARN Cc1ccc(N(CCC#N)C(=O)CN2CCCc3ccccc32)cc1C ZINC000045593935 564028531 /nfs/dbraw/zinc/02/85/31/564028531.db2.gz GICLMPBEMXVONG-UHFFFAOYSA-N 0 0 347.462 4.003 50 30 EIEARN Cc1ccc(-n2c(SCCCC#N)nnc2-c2ccccn2)c(C)c1 ZINC000048366073 564031531 /nfs/dbraw/zinc/03/15/31/564031531.db2.gz QRFMKZZNKUYICA-UHFFFAOYSA-N 0 0 349.463 4.342 50 30 EIEARN Cc1ccsc1/C=C/C(=O)c1c(C)nn2c3ccccc3n(C)c12 ZINC000008343240 564035400 /nfs/dbraw/zinc/03/54/00/564035400.db2.gz YXOWAXSPVXIRGV-CMDGGOBGSA-N 0 0 335.432 4.400 50 30 EIEARN CCN1C=C(C(=O)C=Cc2ccc(C)cc2)[C@H](c2ccccc2)NC1=O ZINC000012391343 564050108 /nfs/dbraw/zinc/05/01/08/564050108.db2.gz DGIVDTSICOMJGG-ARKBFRDHSA-N 0 0 346.430 4.248 50 30 EIEARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257345589 564055806 /nfs/dbraw/zinc/05/58/06/564055806.db2.gz CBOGURZXXNBKGU-UXJMDHEMSA-N 0 0 346.511 4.117 50 30 EIEARN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C ZINC000257358761 564056005 /nfs/dbraw/zinc/05/60/05/564056005.db2.gz WFEIIAIREWCXNS-VAFXRAHQSA-N 0 0 342.479 4.149 50 30 EIEARN N#Cc1ccsc1NC(=O)CCc1cccc(Cl)c1Cl ZINC000031683366 564057941 /nfs/dbraw/zinc/05/79/41/564057941.db2.gz SBEYFMOPEOLTOB-UHFFFAOYSA-N 0 0 325.220 4.498 50 30 EIEARN N#Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 ZINC000012556655 564059335 /nfs/dbraw/zinc/05/93/35/564059335.db2.gz SNEDLEQIQDLWFV-UHFFFAOYSA-N 0 0 338.370 4.354 50 30 EIEARN C=CCOc1ccc(C(=O)Nc2cccc3c2ccn3C)cc1OC ZINC000058294774 564065259 /nfs/dbraw/zinc/06/52/59/564065259.db2.gz NNSIHDBVHREJET-UHFFFAOYSA-N 0 0 336.391 4.004 50 30 EIEARN C=C(C)[C@@H]1CC(=O)[C@H](C)[C@@H]([C@@H]2CCc3cc(OC)ccc3C2=O)C1 ZINC000230509149 564065863 /nfs/dbraw/zinc/06/58/63/564065863.db2.gz AWFFMSDYWLBCOX-UVDFWXMISA-N 0 0 326.436 4.248 50 30 EIEARN N#Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccco2)sc2c1CCCCC2 ZINC000084432214 564068139 /nfs/dbraw/zinc/06/81/39/564068139.db2.gz FRYMNIFURUEIGC-STQMWFEESA-N 0 0 326.421 4.224 50 30 EIEARN C=CCc1cccc2cc(C(=O)Nc3cccc(C)c3C)c(=O)oc21 ZINC000000082792 564074459 /nfs/dbraw/zinc/07/44/59/564074459.db2.gz VZSGNNVHCDYVPW-UHFFFAOYSA-N 0 0 333.387 4.391 50 30 EIEARN C=CCNC(=S)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000002148393 564074792 /nfs/dbraw/zinc/07/47/92/564074792.db2.gz IOUCXMNHBMYDBQ-INIZCTEOSA-N 0 0 348.924 4.410 50 30 EIEARN CCN(CC)c1ccc2cc(-c3ccc(C(=O)C#N)cc3)c(=O)oc2c1 ZINC000100035774 564075226 /nfs/dbraw/zinc/07/52/26/564075226.db2.gz SWWHUDUIQPNVFF-UHFFFAOYSA-N 0 0 346.386 4.012 50 30 EIEARN C=C[C@@H]1C[C@@H](OCc2ccc(OC)cc2)[C@H]1OC(=O)OC(C)(C)C ZINC000043763409 564076237 /nfs/dbraw/zinc/07/62/37/564076237.db2.gz DXYVBPWNRZWJRG-OIISXLGYSA-N 0 0 334.412 4.107 50 30 EIEARN C=C[C@]1(C)C[C@@H](OC)[C@]2(C)[C@H]3C(=O)CC[C@]3(CC[C@@H]2C)[C@@H](C)C1=O ZINC000257359241 564076548 /nfs/dbraw/zinc/07/65/48/564076548.db2.gz ZESCDQYMVQFZRC-LAYMJGNTSA-N 0 0 332.484 4.204 50 30 EIEARN FC(F)(F)C(F)(F)C(F)(F)c1cc(Br)ccn1 ZINC000306145423 564076552 /nfs/dbraw/zinc/07/65/52/564076552.db2.gz FAFCPUVROCRVGD-UHFFFAOYSA-N 0 0 326.009 4.134 50 30 EIEARN COc1cccc2cc(/C(=N/O)c3ccc(Br)cc3)oc21 ZINC000015986926 564078955 /nfs/dbraw/zinc/07/89/55/564078955.db2.gz NVJQJRGPUWCRPP-OBGWFSINSA-N 0 0 346.180 4.431 50 30 EIEARN Cc1ccc(-c2nc(NC(=O)COc3ccc(Cl)cc3)n[nH]2)cc1 ZINC000012942834 564079643 /nfs/dbraw/zinc/07/96/43/564079643.db2.gz FSNGKRXRWVSEOZ-UHFFFAOYSA-N 0 0 342.786 4.101 50 30 EIEARN N#Cc1c2sc3ccccc3n2c(=O)c2cc3ccccc3nc12 ZINC000006237898 564083188 /nfs/dbraw/zinc/08/31/88/564083188.db2.gz JRGPPVOKLBZZSY-UHFFFAOYSA-N 0 0 327.368 4.087 50 30 EIEARN CN(C)c1ccc(C(=O)/C=C/c2ccc(O)c(Br)c2)cc1 ZINC000016391916 564084637 /nfs/dbraw/zinc/08/46/37/564084637.db2.gz MWABIBWSYFIQHQ-YCRREMRBSA-N 0 0 346.224 4.117 50 30 EIEARN CCc1ccc(CC)c(NC(=O)N(CCC#N)Cc2cccnc2)c1 ZINC000089284656 564089214 /nfs/dbraw/zinc/08/92/14/564089214.db2.gz SPEAPMJFBFXSCL-UHFFFAOYSA-N 0 0 336.439 4.154 50 30 EIEARN C[C@]12CC[C@H]3[C@@]4(C)CCC(=O)C=C4CC[C@]3(C)[C@H]1CC[C@H]2C(=O)CO ZINC000253476031 564089489 /nfs/dbraw/zinc/08/94/89/564089489.db2.gz OZKHZCRNQRVNGM-KITZHRQZSA-N 0 0 344.495 4.086 50 30 EIEARN C[C@@]12CC[C@H]3[C@@]4(C)CCC(=O)C=C4CC[C@]3(C)[C@H]1CC[C@H]2C(=O)CO ZINC000253531429 564089534 /nfs/dbraw/zinc/08/95/34/564089534.db2.gz OZKHZCRNQRVNGM-HPMPOATDSA-N 0 0 344.495 4.086 50 30 EIEARN C=CCSc1ncc(Cl)c(C(=O)Nc2cc(C)ccc2C)n1 ZINC000006748027 564097023 /nfs/dbraw/zinc/09/70/23/564097023.db2.gz XEGOMOKMQSBIGV-UHFFFAOYSA-N 0 0 333.844 4.277 50 30 EIEARN CCOc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCCC2)cc1 ZINC000006768478 564097422 /nfs/dbraw/zinc/09/74/22/564097422.db2.gz NNCULNRTMLDCJY-UHFFFAOYSA-N 0 0 349.438 4.344 50 30 EIEARN CCOc1cc(C(=O)Nc2ccc(C#N)cc2)ccc1OCC(C)C ZINC000006880846 564100566 /nfs/dbraw/zinc/10/05/66/564100566.db2.gz QPHNVDIEFSSNGK-UHFFFAOYSA-N 0 0 338.407 4.244 50 30 EIEARN COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Br ZINC000007058678 564104032 /nfs/dbraw/zinc/10/40/32/564104032.db2.gz KTDRYXACAFZEBC-KRXBUXKQSA-N 0 0 335.172 4.493 50 30 EIEARN C=C(Cl)CSc1n[nH]c(-c2ccccc2Br)n1 ZINC000007252410 564106015 /nfs/dbraw/zinc/10/60/15/564106015.db2.gz RLHIFJTTXZTONS-UHFFFAOYSA-N 0 0 330.638 4.079 50 30 EIEARN C[C@H](C#N)CSc1ccccc1NC(=O)c1c(F)cccc1F ZINC000065453211 564106045 /nfs/dbraw/zinc/10/60/45/564106045.db2.gz XKDDMZVKMDWUPG-LLVKDONJSA-N 0 0 332.375 4.469 50 30 EIEARN Cc1cccnc1NC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000065453430 564106058 /nfs/dbraw/zinc/10/60/58/564106058.db2.gz HVDMMRJGRAVFGG-ZDUSSCGKSA-N 0 0 326.425 4.428 50 30 EIEARN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)c1ccc2ccccc2c1 ZINC000007493993 564109142 /nfs/dbraw/zinc/10/91/42/564109142.db2.gz QHBWBILKGADNBE-HNNXBMFYSA-N 0 0 329.403 4.175 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1ccccc1 ZINC000170615314 564109984 /nfs/dbraw/zinc/10/99/84/564109984.db2.gz KZAOVYSNZPXACK-TZIWHRDSSA-N 0 0 334.415 4.314 50 30 EIEARN C=CCc1ccc(OCCOc2ccc(Cl)cc2C=O)c(OC)c1 ZINC000002875709 564117100 /nfs/dbraw/zinc/11/71/00/564117100.db2.gz JQOLXQAIBFMGQA-UHFFFAOYSA-N 0 0 346.810 4.347 50 30 EIEARN CC(=Nn1c(C)cc(C)c(C#N)c1=O)c1ccc(-c2ccccc2)cc1 ZINC000252463011 564118759 /nfs/dbraw/zinc/11/87/59/564118759.db2.gz YFCHWBMJAKHQDD-UHFFFAOYSA-N 0 0 341.414 4.276 50 30 EIEARN O=[N+]([O-])c1cc2c(cc1C=Nc1ccc(Cl)cc1Cl)OCO2 ZINC000252463212 564118781 /nfs/dbraw/zinc/11/87/81/564118781.db2.gz ZQFOBKNGFOZWGW-UHFFFAOYSA-N 0 0 339.134 4.381 50 30 EIEARN O=C(ON=Cc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000252618439 564122248 /nfs/dbraw/zinc/12/22/48/564122248.db2.gz LGRHXXPVDNVYTA-UHFFFAOYSA-N 0 0 339.134 4.093 50 30 EIEARN Cc1nn(Cc2ccccc2)c(C)c1C=C1C(=O)c2ccccc2C1=O ZINC000007740392 564122548 /nfs/dbraw/zinc/12/25/48/564122548.db2.gz FWYMLSMIYXDBKB-UHFFFAOYSA-N 0 0 342.398 4.011 50 30 EIEARN CC(=O)Nc1cc(Cl)c(N=Cc2ccc(O)cc2O)cc1Cl ZINC000252621558 564122841 /nfs/dbraw/zinc/12/28/41/564122841.db2.gz NBIAVKTYKGNWND-UHFFFAOYSA-N 0 0 339.178 4.114 50 30 EIEARN Cc1cc(C)c(O)c(N=Cc2cc3c(cc2Br)OCO3)c1 ZINC000252623820 564123024 /nfs/dbraw/zinc/12/30/24/564123024.db2.gz OZYCTOOHOSEACU-UHFFFAOYSA-N 0 0 348.196 4.251 50 30 EIEARN CCN1C(=O)/C(=C/c2ccncc2)SC1=Nc1ccc(C)c(C)c1 ZINC000252639271 564124612 /nfs/dbraw/zinc/12/46/12/564124612.db2.gz YIWVFBQFESZRHO-SCWWSTLWSA-N 0 0 337.448 4.322 50 30 EIEARN COC(=O)c1ccc(C=Nc2c(-c3ccco3)nc3ccccn32)cc1 ZINC000252639517 564124622 /nfs/dbraw/zinc/12/46/22/564124622.db2.gz YLDVDYRQXNRYJH-UHFFFAOYSA-N 0 0 345.358 4.132 50 30 EIEARN CC1(C#N)CCN(C(=O)NCCCCc2ccc(Cl)s2)CC1 ZINC000253392160 564130470 /nfs/dbraw/zinc/13/04/70/564130470.db2.gz SSQIVNQBDLAMAW-UHFFFAOYSA-N 0 0 339.892 4.059 50 30 EIEARN CCC[C@@H]1c2ccc3ccccc3c2Oc2nc(N)c(C#N)c(N)c21 ZINC000253470741 564132609 /nfs/dbraw/zinc/13/26/09/564132609.db2.gz CBNBEYAWMCHIIK-CYBMUJFWSA-N 0 0 330.391 4.309 50 30 EIEARN CC(=O)c1cc(C#N)c(SCC(=O)c2ccc(Cl)cc2)nc1C ZINC000000058941 564132732 /nfs/dbraw/zinc/13/27/32/564132732.db2.gz BRRZLTCZTIHYCA-UHFFFAOYSA-N 0 0 344.823 4.093 50 30 EIEARN N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1cccc(Cl)c1 ZINC000000069224 564132737 /nfs/dbraw/zinc/13/27/37/564132737.db2.gz YGCFYIOXCWCLEY-UHFFFAOYSA-N 0 0 343.777 4.133 50 30 EIEARN Cc1cc(C)c(C#N)c(SCc2cc3c(cc2Cl)OCO3)n1 ZINC000000371107 564133149 /nfs/dbraw/zinc/13/31/49/564133149.db2.gz XWIRVUIKWOCNBQ-UHFFFAOYSA-N 0 0 332.812 4.245 50 30 EIEARN COc1ccc([C@H]2C[C@@H]2/C(C)=N/OC(=O)c2ccc(F)cc2)cc1 ZINC000012350598 564135158 /nfs/dbraw/zinc/13/51/58/564135158.db2.gz JSTWPIVFSOQCCS-YMLLVQOGSA-N 0 0 327.355 4.171 50 30 EIEARN O=C(C/C=N\OCc1ccc(Cl)cc1Cl)Oc1ccccc1 ZINC000012960294 564135727 /nfs/dbraw/zinc/13/57/27/564135727.db2.gz LHRSXURPPCKUID-OCKHKDLRSA-N 0 0 338.190 4.492 50 30 EIEARN CCc1ccc(-c2c(C)sc(NC(=O)[C@@H]3CCCO3)c2C#N)cc1 ZINC000013328078 564136215 /nfs/dbraw/zinc/13/62/15/564136215.db2.gz RKQBZFRRSLFTAR-INIZCTEOSA-N 0 0 340.448 4.275 50 30 EIEARN Cc1nn(C)c(C)c1C(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC000328589528 564136684 /nfs/dbraw/zinc/13/66/84/564136684.db2.gz NURRGCPARHVOGM-LJQANCHMSA-N 0 0 349.434 4.162 50 30 EIEARN C[C@@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000079335614 564138102 /nfs/dbraw/zinc/13/81/02/564138102.db2.gz RVBXDHPDUOMDRJ-MRXNPFEDSA-N 0 0 349.434 4.205 50 30 EIEARN CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N2CCCCC2)n1 ZINC000019794135 564138108 /nfs/dbraw/zinc/13/81/08/564138108.db2.gz QKGXNTNWCITKJZ-UHFFFAOYSA-N 0 0 344.871 4.381 50 30 EIEARN Cc1ccn2c(c1)nc(-c1cccc(O)c1)c2N=Cc1cccc(O)c1 ZINC000390826981 564138502 /nfs/dbraw/zinc/13/85/02/564138502.db2.gz RSGYNCGJRINNBD-UHFFFAOYSA-N 0 0 343.386 4.472 50 30 EIEARN C[C@H](C(=O)Nc1nc[nH]n1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000095480566 564141567 /nfs/dbraw/zinc/14/15/67/564141567.db2.gz JCQDDHQHPPQJAA-VIFPVBQESA-N 0 0 339.786 4.484 50 30 EIEARN CC(=O)c1ccc(C(=O)Nc2ccccc2SCCC#N)s1 ZINC000095953497 564142398 /nfs/dbraw/zinc/14/23/98/564142398.db2.gz NDIKFEVJHRVNNG-UHFFFAOYSA-N 0 0 330.434 4.209 50 30 EIEARN CCc1nc(C(C#N)C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)sc1C ZINC000095956290 564142537 /nfs/dbraw/zinc/14/25/37/564142537.db2.gz GHPXIFAEBKBZEL-RBSFLKMASA-N 0 0 328.412 4.133 50 30 EIEARN CCOC(=O)c1ccc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)o1 ZINC000096035432 564145121 /nfs/dbraw/zinc/14/51/21/564145121.db2.gz RPGQZZLBGPDSHN-VURMDHGXSA-N 0 0 338.281 4.371 50 30 EIEARN CCOc1cc(/C=C\C(=O)/C=C/c2cccc(OC)c2)ccc1OC ZINC000096124592 564145692 /nfs/dbraw/zinc/14/56/92/564145692.db2.gz GWAXTOCWSMPUNW-OJOCYUAFSA-N 0 0 338.403 4.398 50 30 EIEARN N#CCC1CCN(C(=O)Nc2ccnc(Oc3ccccc3)c2)CC1 ZINC000097237816 564149622 /nfs/dbraw/zinc/14/96/22/564149622.db2.gz ZHMPISWLTAZDBI-UHFFFAOYSA-N 0 0 336.395 4.031 50 30 EIEARN COc1ccc(-c2nnc(SCC#N)n2[C@H]2CCCC[C@@H]2C)cc1 ZINC000002627495 564151344 /nfs/dbraw/zinc/15/13/44/564151344.db2.gz YIPJRWVOQPIIRT-BBRMVZONSA-N 0 0 342.468 4.321 50 30 EIEARN COc1ccc(C(=O)ON=C2c3ccccc3-c3ccccc32)cc1 ZINC000002893311 564152977 /nfs/dbraw/zinc/15/29/77/564152977.db2.gz WBBJIGCWYJDODQ-UHFFFAOYSA-N 0 0 329.355 4.285 50 30 biogenic EIEARN N#Cc1ccccc1NC(=O)CSc1ccc(Br)cc1 ZINC000003224945 564156180 /nfs/dbraw/zinc/15/61/80/564156180.db2.gz DPZOYTFELWRCOR-UHFFFAOYSA-N 0 0 347.237 4.052 50 30 EIEARN Cc1c2cc3c(cc2nc2c1C[C@](C#N)(c1ccccc1)CC2)OCO3 ZINC000003343146 564157502 /nfs/dbraw/zinc/15/75/02/564157502.db2.gz YFDQNXHMBVIQTQ-JOCHJYFZSA-N 0 0 342.398 4.222 50 30 EIEARN O=C1c2ccc(O)cc2CC/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000058166467 564157900 /nfs/dbraw/zinc/15/79/00/564157900.db2.gz FECMUJVRCLKQHW-KPKJPENVSA-N 0 0 329.739 4.166 50 30 EIEARN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003445122 564158185 /nfs/dbraw/zinc/15/81/85/564158185.db2.gz JIABRCHEGFOEAH-JTQLQIEISA-N 0 0 335.190 4.271 50 30 EIEARN N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCC2)cc1 ZINC000003457368 564158223 /nfs/dbraw/zinc/15/82/23/564158223.db2.gz ZHKRCNXXGAFCGX-UHFFFAOYSA-N 0 0 325.799 4.064 50 30 EIEARN N#Cc1c(CSc2nccn2-c2ccccc2)cn2ccccc12 ZINC000058366943 564158872 /nfs/dbraw/zinc/15/88/72/564158872.db2.gz URPXQFKBUKSITK-UHFFFAOYSA-N 0 0 330.416 4.289 50 30 EIEARN O=C(/C=C/c1ccc(-n2cncn2)cc1)c1cccc(C(F)(F)F)c1 ZINC000058583019 564159391 /nfs/dbraw/zinc/15/93/91/564159391.db2.gz HCYRAZNFGZGKBM-RMKNXTFCSA-N 0 0 343.308 4.182 50 30 EIEARN C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@]21CO1 ZINC000004024557 564160079 /nfs/dbraw/zinc/16/00/79/564160079.db2.gz OULYBQZTBUFJRZ-XUDSTZEESA-N 0 0 344.495 4.461 50 30 biogenic EIEARN Cc1ccc(C(=O)O/N=C/c2c(Cl)n(C)c3ccccc23)cc1 ZINC000004051486 564160256 /nfs/dbraw/zinc/16/02/56/564160256.db2.gz PWUPKAJWEMAISK-RGVLZGJSSA-N 0 0 326.783 4.331 50 30 EIEARN Cc1ccc(O)c(C(=O)/C=C/c2cc(Cl)cc3c2OCOC3)c1 ZINC000004084181 564160445 /nfs/dbraw/zinc/16/04/45/564160445.db2.gz BQALBBHDRKCYAN-HWKANZROSA-N 0 0 330.767 4.117 50 30 biogenic EIEARN CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 ZINC000066516717 564162696 /nfs/dbraw/zinc/16/26/96/564162696.db2.gz OLZVIHAMNGEJIJ-YHVDPYDOSA-N 0 0 332.359 4.116 50 30 EIEARN Cc1cc(C)c(C#N)c(SCc2cc(Cl)c3c(c2)OCCO3)n1 ZINC000008720657 564166962 /nfs/dbraw/zinc/16/69/62/564166962.db2.gz GYTNAWUFDAKCEO-UHFFFAOYSA-N 0 0 346.839 4.287 50 30 EIEARN CCn1cc(/C=C2/Oc3c(ccc(O)c3C)C2=O)c2cc(OC)ccc21 ZINC000008764920 564167348 /nfs/dbraw/zinc/16/73/48/564167348.db2.gz UDDOICKRMDJBMR-DJKKODMXSA-N 0 0 349.386 4.300 50 30 biogenic EIEARN C=C(Cl)CN(C(=O)Cc1c(C)noc1C)[C@@H]1CCc2ccccc21 ZINC000069570697 564170604 /nfs/dbraw/zinc/17/06/04/564170604.db2.gz ZPRVAWMRTDSKHE-GOSISDBHSA-N 0 0 344.842 4.103 50 30 EIEARN CC(C)Oc1ccccc1CC(=O)[C@H](C#N)c1nc2ccccc2o1 ZINC000069922394 564172865 /nfs/dbraw/zinc/17/28/65/564172865.db2.gz CWTRJLKLDHABIE-HNNXBMFYSA-N 0 0 334.375 4.034 50 30 EIEARN ClC(Cl)=CNC(=NCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000041097500 564173138 /nfs/dbraw/zinc/17/31/38/564173138.db2.gz CLFAUMZUIMUTHW-UHFFFAOYSA-N 0 0 345.233 4.376 50 30 EIEARN N#C/C(c1nc2ccccc2s1)=c1/[nH]c2cccc3cccc1c23 ZINC000205602197 564177544 /nfs/dbraw/zinc/17/75/44/564177544.db2.gz XUSDHVQZCDYVCA-RGEXLXHISA-N 0 0 325.396 4.372 50 30 EIEARN N#C[C@]1(c2nc3ccccc3s2)Cc2c(F)cccc2N2CCC[C@H]21 ZINC000006566422 568420904 /nfs/dbraw/zinc/42/09/04/568420904.db2.gz XRLHFAJLQSUKJX-AZUAARDMSA-N 0 0 349.434 4.422 50 30 EIEARN Fc1nc(F)c(F)c(Nc2c(F)c(F)c(F)c(F)c2F)c1F ZINC000100314680 1020073971 /nfs/dbraw/zinc/07/39/71/1020073971.db2.gz MUCHZIMFEUBANQ-UHFFFAOYSA-N 0 0 332.125 4.077 50 30 EIEARN N#C[C@@H](C(=O)C=Cc1cccc2cccnc12)c1nc2ccccc2[nH]1 ZINC000051047749 1023333905 /nfs/dbraw/zinc/33/39/05/1023333905.db2.gz VQTKXMDXZRDAGW-SNGWPZLWSA-N 0 0 338.370 4.001 50 30 EIEARN Cc1nc(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc(C2CC2)n1 ZINC000330280290 1023621596 /nfs/dbraw/zinc/62/15/96/1023621596.db2.gz SFLOHBWUYHSDLG-UHFFFAOYSA-N 0 0 336.395 4.178 50 30 EIEARN C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2C#N)O1 ZINC000332212824 1023890705 /nfs/dbraw/zinc/89/07/05/1023890705.db2.gz VHZGWENPSZVGTP-HSMVNMDESA-N 0 0 326.421 4.039 50 30 EIEARN O=C(/C=C/c1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000005129088 1025335723 /nfs/dbraw/zinc/33/57/23/1025335723.db2.gz KRFSGKHLVPPVPL-XVNBXDOJSA-N 0 0 331.165 4.074 50 30 EIEARN CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2F)ccc1OC ZINC000006048143 1025731865 /nfs/dbraw/zinc/73/18/65/1025731865.db2.gz SOMBEVAVXYTYOP-WEVVVXLNSA-N 0 0 330.355 4.138 50 30 EIEARN C=CCN1C(=O)/C(=C/c2ccc(OCCCC)cc2)SC1=S ZINC000016115341 1027541803 /nfs/dbraw/zinc/54/18/03/1027541803.db2.gz MLZAKZCNEUDPCP-QINSGFPZSA-N 0 0 333.478 4.253 50 30 EIEARN CCOc1ccc(/C=C/C(=O)c2ccc(Br)cc2)nc1 ZINC000089269774 1029513856 /nfs/dbraw/zinc/51/38/56/1029513856.db2.gz YMRLJXMXDLLYAR-CSKARUKUSA-N 0 0 332.197 4.139 50 30 EIEARN CC(N=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000254414447 1034414693 /nfs/dbraw/zinc/41/46/93/1034414693.db2.gz HUDCZSGJTMKZEM-UHFFFAOYSA-N 0 0 339.273 4.155 50 30 EIEARN O=C(/C=C\c1ccsc1)c1ccc(I)cc1 ZINC000096792665 1039376748 /nfs/dbraw/zinc/37/67/48/1039376748.db2.gz CUHGQUIBNDZWQV-BHQIHCQQSA-N 0 0 340.185 4.249 50 30 EIEARN Cc1ncsc1C(=O)/C=C\c1c(C)nn(-c2ccccc2)c1Cl ZINC000097054194 1039934775 /nfs/dbraw/zinc/93/47/75/1039934775.db2.gz GRICLGGZYKKJTH-HJWRWDBZSA-N 0 0 343.839 4.495 50 30 EIEARN COc1ccc(C(=O)/C=C/c2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000007742006 1040423691 /nfs/dbraw/zinc/42/36/91/1040423691.db2.gz NCFJTYYQUZRGII-BUHFOSPRSA-N 0 0 346.430 4.453 50 30 EIEARN COc1cc(/C=C2\C(=O)c3ccccc3OC2(C)C)ccc1OCC#N ZINC000083536484 1040797237 /nfs/dbraw/zinc/79/72/37/1040797237.db2.gz LKUDGVGNCLNYRZ-FOWTUZBSSA-N 0 0 349.386 4.035 50 30 EIEARN COc1ccc(OC)c(C(=O)/C=C\c2cc3ccccc3nc2OC)c1 ZINC000606444155 1043067947 /nfs/dbraw/zinc/06/79/47/1043067947.db2.gz FEJDJMAVKFLXGO-NTMALXAHSA-N 0 0 349.386 4.157 50 30 EIEARN CN(C)N=C/C=C1/CCC/C(=C/c2ccc(Br)cc2)C1=O ZINC000606347736 1043068151 /nfs/dbraw/zinc/06/81/51/1043068151.db2.gz WNLYOMKRZVPKDH-FUSXWZAXSA-N 0 0 347.256 4.059 50 30 EIEARN C#CCCC1(CCC(=O)N[C@@H]2CCCOc3c(Cl)cccc32)N=N1 ZINC000952879279 1049678535 /nfs/dbraw/zinc/67/85/35/1049678535.db2.gz CRNGUJWDWFNANW-OAHLLOKOSA-N 0 0 345.830 4.026 50 30 EIEARN Cc1cc(C)c2c(c1)OC/C(=C\c1cnn(Cc3ccccc3)c1)C2=O ZINC000063411736 1052659236 /nfs/dbraw/zinc/65/92/36/1052659236.db2.gz FSMPOQSLTXCDKM-VXLYETTFSA-N 0 0 344.414 4.207 50 30 EIEARN C=CCNC(=O)C[C@@H](C)CC(=O)N(c1ccccc1)c1ccccc1 ZINC000004680945 210246135 /nfs/dbraw/zinc/24/61/35/210246135.db2.gz HNRAVAVNIWAMFK-QGZVFWFLSA-N 0 0 336.435 4.070 50 30 EIEARN N#Cc1cccc(NC(=O)c2cc3c(s2)c2ccccc2oc3=O)c1 ZINC000004563779 210222127 /nfs/dbraw/zinc/22/21/27/210222127.db2.gz DKTKTGFNJRTKIC-UHFFFAOYSA-N 0 0 346.367 4.132 50 30 EIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)OC/C=C/c1ccccc1 ZINC000007672395 201725720 /nfs/dbraw/zinc/72/57/20/201725720.db2.gz QDFQCKLSSVROKL-JXMROGBWSA-N 0 0 332.359 4.121 50 30 EIEARN Cc1nc(COc2ccc(C(=O)Nc3cccc(C#N)c3)cc2)cs1 ZINC000007921087 201732526 /nfs/dbraw/zinc/73/25/26/201732526.db2.gz DJSKFVPSEQWPQG-UHFFFAOYSA-N 0 0 349.415 4.155 50 30 EIEARN COCCSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000008843598 201762261 /nfs/dbraw/zinc/76/22/61/201762261.db2.gz OAQRJFUDGLNKMB-UHFFFAOYSA-N 0 0 344.383 4.439 50 30 EIEARN N#Cc1ccc(-c2ccco2)nc1SCC(=O)c1ccc(F)cc1 ZINC000012250993 201836008 /nfs/dbraw/zinc/83/60/08/201836008.db2.gz RPOFRJZOGWZQTG-UHFFFAOYSA-N 0 0 338.363 4.327 50 30 EIEARN C=CCNc1cc(C[S@@](=O)c2ccccc2)nc(-c2ccccc2)n1 ZINC000004084411 210116388 /nfs/dbraw/zinc/11/63/88/210116388.db2.gz DMBNHCLFZSQWGC-VWLOTQADSA-N 0 0 349.459 4.049 50 30 EIEARN O=C(/C=C/c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000005128183 563521322 /nfs/dbraw/zinc/52/13/22/563521322.db2.gz GXORKFLYXJALSM-RUDMXATFSA-N 0 0 332.153 4.253 50 30 EIEARN Cc1ccc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc1 ZINC000018196848 201994512 /nfs/dbraw/zinc/99/45/12/201994512.db2.gz YKAAJGMUEJTVHR-HXUWFJFHSA-N 0 0 333.387 4.288 50 30 EIEARN CC(C)Cc1cc(-c2cccc(Br)c2)c(C#N)c(N)n1 ZINC000019300148 202003921 /nfs/dbraw/zinc/00/39/21/202003921.db2.gz RUUAFTSVIVAYQR-UHFFFAOYSA-N 0 0 330.229 4.163 50 30 EIEARN CCc1sc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1[N+](=O)[O-] ZINC000019757336 202018881 /nfs/dbraw/zinc/01/88/81/202018881.db2.gz IZFQWKCUZVWPLP-UHFFFAOYSA-N 0 0 342.424 4.003 50 30 EIEARN N#Cc1cc(C#N)c(S[C@H](CCC2CC2)c2ccccc2)nc1N ZINC000019772790 202018959 /nfs/dbraw/zinc/01/89/59/202018959.db2.gz IXMJDWHXCICNLY-QGZVFWFLSA-N 0 0 334.448 4.431 50 30 EIEARN CCc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)cc1 ZINC000019826224 202022799 /nfs/dbraw/zinc/02/27/99/202022799.db2.gz SVADOTKRZCVIMD-XQNSMLJCSA-N 0 0 335.495 4.018 50 30 EIEARN Clc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000020189208 202035086 /nfs/dbraw/zinc/03/50/86/202035086.db2.gz SLOTVJZGPUWLJS-FYJGNVAPSA-N 0 0 348.277 4.145 50 30 EIEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1)O2 ZINC000020519156 202048017 /nfs/dbraw/zinc/04/80/17/202048017.db2.gz OFCUJQYSGAHXMF-UYRXBGFRSA-N 0 0 337.419 4.240 50 30 EIEARN N#Cc1ccccc1-c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000022414774 202084834 /nfs/dbraw/zinc/08/48/34/202084834.db2.gz KQGALWMVXXOYIZ-UHFFFAOYSA-N 0 0 338.366 4.021 50 30 EIEARN Oc1ccc(/C=N/n2c(-c3ccccc3)nnc2-c2ccccc2)cc1 ZINC000022016202 202077799 /nfs/dbraw/zinc/07/77/99/202077799.db2.gz XIEBNXSDCFPNCN-PXLXIMEGSA-N 0 0 340.386 4.200 50 30 EIEARN CSc1ccc(/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 ZINC000022996515 202097088 /nfs/dbraw/zinc/09/70/88/202097088.db2.gz PAQZYBXLGUUZJR-UHFFFAOYSA-N 0 0 347.237 4.244 50 30 EIEARN N#Cc1ccc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 ZINC000024928564 202123716 /nfs/dbraw/zinc/12/37/16/202123716.db2.gz IDQSBRHVDMGJBV-JOCHJYFZSA-N 0 0 338.410 4.346 50 30 EIEARN Cc1oc(-c2ccccc2)nc1CON=C(N)c1ccc(Cl)cc1 ZINC000025150718 202126987 /nfs/dbraw/zinc/12/69/87/202126987.db2.gz LWUFMRJXISDSIB-UHFFFAOYSA-N 0 0 341.798 4.141 50 30 EIEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003048645 202138591 /nfs/dbraw/zinc/13/85/91/202138591.db2.gz FGJJNDRXMLEPIH-UHFFFAOYSA-N 0 0 342.247 4.375 50 30 EIEARN Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccccc3)[NH+](C)C)o2)cc1 ZINC000027990706 202163293 /nfs/dbraw/zinc/16/32/93/202163293.db2.gz OLLQLCDRNHMWCR-IBGZPJMESA-N 0 0 346.434 4.237 50 30 EIEARN COc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 ZINC000000458932 209613731 /nfs/dbraw/zinc/61/37/31/209613731.db2.gz AQLBHZRMIYLLJF-NSHDSACASA-N 0 0 326.421 4.005 50 30 EIEARN N#CC1(NC(=O)CNc2cccc(Cl)c2Cl)CCCCCC1 ZINC000032906664 202240465 /nfs/dbraw/zinc/24/04/65/202240465.db2.gz VSLSQDILUKEOFA-UHFFFAOYSA-N 0 0 340.254 4.138 50 30 EIEARN N#CC1(NC(=O)CNc2ccc(Cl)c(Cl)c2)CCCCCC1 ZINC000032906647 202240629 /nfs/dbraw/zinc/24/06/29/202240629.db2.gz VSAALLUXEPKXHQ-UHFFFAOYSA-N 0 0 340.254 4.138 50 30 EIEARN O=C(/C=C\c1ccccc1Br)c1ccc2c(c1)OCO2 ZINC000033469834 202262214 /nfs/dbraw/zinc/26/22/14/202262214.db2.gz QIOJRZNYRGOXID-ALCCZGGFSA-N 0 0 331.165 4.074 50 30 EIEARN C=CCCC(=O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000072283720 216113386 /nfs/dbraw/zinc/11/33/86/216113386.db2.gz KUNJTLJBVUBAPG-INIZCTEOSA-N 0 0 325.456 4.289 50 30 EIEARN Cc1nn(CC(C)C)c(Cl)c1/C=C1\Cc2c(cccc2O)C1=O ZINC000011549148 201057052 /nfs/dbraw/zinc/05/70/52/201057052.db2.gz NTHJPJCHSQGFDD-KPKJPENVSA-N 0 0 330.815 4.029 50 30 EIEARN CC(C)(C)n1nc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1C1CC1 ZINC000042712250 202501245 /nfs/dbraw/zinc/50/12/45/202501245.db2.gz UJNJSRBWGPAEFJ-UHFFFAOYSA-N 0 0 342.830 4.293 50 30 EIEARN O=C1c2ccc(OCc3ccc(F)cc3)cc2O/C1=C\c1ccncc1 ZINC000005177753 201362091 /nfs/dbraw/zinc/36/20/91/201362091.db2.gz PRIUYCWOSFBWED-JAIQZWGSSA-N 0 0 347.345 4.416 50 30 EIEARN O=C1c2ccc(OCc3ccccc3)cc2O/C1=C\c1ccncc1 ZINC000005178209 201361351 /nfs/dbraw/zinc/36/13/51/201361351.db2.gz NAGPLHXCYDUXQG-NDENLUEZSA-N 0 0 329.355 4.277 50 30 EIEARN Cc1cccc2c1OCC/C(=C\c1ccc(-n3cccn3)cc1)C2=O ZINC000096993412 201378294 /nfs/dbraw/zinc/37/82/94/201378294.db2.gz LDBFDLQUMOKIRT-SAPNQHFASA-N 0 0 330.387 4.230 50 30 EIEARN N#CCc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000000037216 201425742 /nfs/dbraw/zinc/42/57/42/201425742.db2.gz CQRQPKNFLVRMIQ-UHFFFAOYSA-N 0 0 335.190 4.077 50 30 EIEARN Cc1ccc(C(=O)CSc2nc(-c3cccnc3)ccc2C#N)cc1 ZINC000000050532 201426570 /nfs/dbraw/zinc/42/65/70/201426570.db2.gz ZETVRYARAIWWGU-UHFFFAOYSA-N 0 0 345.427 4.299 50 30 EIEARN CC(Nc1ccc(Br)cc1)=C1C(=O)CC(C)(C)CC1=O ZINC000000446613 201474304 /nfs/dbraw/zinc/47/43/04/201474304.db2.gz TVCGYENOEBWDJL-UHFFFAOYSA-N 0 0 336.229 4.093 50 30 EIEARN Cc1ccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1C ZINC000001429275 201508374 /nfs/dbraw/zinc/50/83/74/201508374.db2.gz QGGUTPLFBRJBPX-UHFFFAOYSA-N 0 0 339.464 4.226 50 30 EIEARN Cc1ccc(C(=O)NCC/N=C/c2ccc(Cl)cc2Cl)cc1 ZINC000003112854 201556846 /nfs/dbraw/zinc/55/68/46/201556846.db2.gz ZILCWMHYQBXGBI-RGVLZGJSSA-N 0 0 335.234 4.151 50 30 EIEARN Cc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000004520718 201604760 /nfs/dbraw/zinc/60/47/60/201604760.db2.gz AODLUYOBLGFFGE-LSDHHAIUSA-N 0 0 337.444 4.061 50 30 EIEARN N#Cc1c(Cl)nc(N=NCc2ccccc2)c(Cl)c1Cl ZINC000004703516 201613457 /nfs/dbraw/zinc/61/34/57/201613457.db2.gz KYQWHMPSDLOJMD-CNHKJKLMSA-N 0 0 325.586 4.359 50 30 EIEARN N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000005111662 201638954 /nfs/dbraw/zinc/63/89/54/201638954.db2.gz JJLFNBZXTHASRG-UHFFFAOYSA-N 0 0 328.371 4.390 50 30 EIEARN O=C(/C=C/c1ccc(F)c(Br)c1)c1ccc2c(c1)OCO2 ZINC000005129200 201640435 /nfs/dbraw/zinc/64/04/35/201640435.db2.gz KBIUZHJGLPLTFV-GORDUTHDSA-N 0 0 349.155 4.213 50 30 EIEARN N#Cc1ccc(COC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1 ZINC000005359322 201648765 /nfs/dbraw/zinc/64/87/65/201648765.db2.gz WNWAYIZQQKZHOV-UHFFFAOYSA-N 0 0 341.581 4.270 50 30 EIEARN Cc1noc2c1[C@H](C(C)C)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000020733010 212167014 /nfs/dbraw/zinc/16/70/14/212167014.db2.gz AFHHHLFGAJOBGJ-DYVFJYSZSA-N 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/nfs/dbraw/zinc/42/41/78/205424178.db2.gz DSEQZWYEEOMRMX-NKFKGCMQSA-N 0 0 329.447 4.386 50 30 EIEARN Cc1ccc(NC=C(Br)C(=O)C(F)(F)F)cc1Cl ZINC000003216841 205644333 /nfs/dbraw/zinc/64/43/33/205644333.db2.gz QKSUZCBNRHPJRS-VMPITWQZSA-N 0 0 342.542 4.428 50 30 EIEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cccnc3Cl)sc2C1 ZINC000000572101 206243997 /nfs/dbraw/zinc/24/39/97/206243997.db2.gz GLDRZDLJDNPWTR-VIFPVBQESA-N 0 0 331.828 4.045 50 30 EIEARN C=CCn1c(SCc2cccc(C#N)c2)nnc1-c1ccccc1O ZINC000013120051 211524750 /nfs/dbraw/zinc/52/47/50/211524750.db2.gz WQBPTKNUZRHSMH-UHFFFAOYSA-N 0 0 348.431 4.001 50 30 EIEARN C[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1cccc(C#N)c1 ZINC000008706733 206532320 /nfs/dbraw/zinc/53/23/20/206532320.db2.gz RWKGBQCZZCVNPB-ZDUSSCGKSA-N 0 0 333.416 4.226 50 30 EIEARN C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(C)cc1 ZINC000012062914 211284925 /nfs/dbraw/zinc/28/49/25/211284925.db2.gz KGIVIHQPBGXYKH-LJQANCHMSA-N 0 0 345.398 4.141 50 30 EIEARN C=CCOc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1 ZINC000011914982 211267688 /nfs/dbraw/zinc/26/76/88/211267688.db2.gz JOEKEHSGFFBPSZ-UHFFFAOYSA-N 0 0 337.404 4.022 50 30 EIEARN C=CCOc1ccc(C(=O)Nc2cccc3cccnc32)cc1OC ZINC000010914426 206829011 /nfs/dbraw/zinc/82/90/11/206829011.db2.gz SHJUJTCEISQFTN-UHFFFAOYSA-N 0 0 334.375 4.061 50 30 EIEARN CCCN(CCC)c1nc(SC)nc(-c2ccccc2)c1C#N ZINC000007995263 210878874 /nfs/dbraw/zinc/87/88/74/210878874.db2.gz UAADRCDASGTCAF-UHFFFAOYSA-N 0 0 326.469 4.364 50 30 EIEARN Cn1cccc1/C=C(/C(=O)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000012559572 207170578 /nfs/dbraw/zinc/17/05/78/207170578.db2.gz BQGXGIVUPVLBMA-VKAVYKQESA-N 0 0 327.387 4.325 50 30 EIEARN Cc1cc(SCC(=O)Nc2ccc(C#N)cc2)nc2ccccc12 ZINC000012658618 207189251 /nfs/dbraw/zinc/18/92/51/207189251.db2.gz ZKZDMCQAPDWXDR-UHFFFAOYSA-N 0 0 333.416 4.146 50 30 EIEARN CNC(=O)c1ccc(/C=C/C(=O)c2ccc3c4c(cccc42)CC3)cc1 ZINC000012908628 207263234 /nfs/dbraw/zinc/26/32/34/207263234.db2.gz WLYLLHDYEBUTLT-VGOFMYFVSA-N 0 0 341.410 4.194 50 30 EIEARN COc1cc(/C=C/C(=O)c2ccc(C)cc2OC)cc(Cl)c1O ZINC000013018142 207273923 /nfs/dbraw/zinc/27/39/23/207273923.db2.gz ZXLNZGKMQQBQGV-FNORWQNLSA-N 0 0 332.783 4.267 50 30 EIEARN CCOc1cc(/C=C/C(=O)c2ccc(O)cc2)cc(Cl)c1OC ZINC000013041785 207279506 /nfs/dbraw/zinc/27/95/06/207279506.db2.gz AAHMSFOQKOUBLL-RUDMXATFSA-N 0 0 332.783 4.349 50 30 EIEARN Cc1nc(CC(=O)Nc2cc(C(C)(C)C)sc2C#N)c(C)s1 ZINC000179545823 257953326 /nfs/dbraw/zinc/95/33/26/257953326.db2.gz RAKSXLDUIWVFGE-UHFFFAOYSA-N 0 0 333.482 4.172 50 30 EIEARN Cc1ccc(CSc2nncn2/N=C/c2ccccc2Cl)cc1 ZINC000000147657 257928465 /nfs/dbraw/zinc/92/84/65/257928465.db2.gz UEICAJGTVBZITQ-KEBDBYFISA-N 0 0 342.855 4.414 50 30 EIEARN COC(=O)c1ccc(CO/N=C(\C)c2ccc(Cl)cc2Cl)o1 ZINC000000168131 258047669 /nfs/dbraw/zinc/04/76/69/258047669.db2.gz LPWKOGCTPYEVHY-GIJQJNRQSA-N 0 0 342.178 4.314 50 30 EIEARN C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccncc1 ZINC000006698359 258044321 /nfs/dbraw/zinc/04/43/21/258044321.db2.gz QSGFTRPJHSPHJN-UHFFFAOYSA-N 0 0 342.855 4.472 50 30 EIEARN C=CCn1cnnc1SCc1csc(-c2ccc(F)cc2)n1 ZINC000006607030 258044979 /nfs/dbraw/zinc/04/49/79/258044979.db2.gz LYDIDDARENCNPY-UHFFFAOYSA-N 0 0 332.429 4.019 50 30 EIEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C#CCl ZINC000245240729 258005642 /nfs/dbraw/zinc/00/56/42/258005642.db2.gz SCKRQJZQWRFQPI-WMKCGOMXSA-N 0 0 348.914 4.241 50 30 EIEARN C=CCc1cc(C=O)cc(OC)c1OCCCOc1ccc(C)cc1 ZINC000002866749 258046989 /nfs/dbraw/zinc/04/69/89/258046989.db2.gz QFWBVBRCYYPMCQ-UHFFFAOYSA-N 0 0 340.419 4.393 50 30 EIEARN C=CCn1c(SCc2cccs2)nnc1-c1ccc(OC)cc1 ZINC000096997884 258011715 /nfs/dbraw/zinc/01/17/15/258011715.db2.gz XSGTZLFKKDWOTQ-UHFFFAOYSA-N 0 0 343.477 4.494 50 30 EIEARN C#C[C@]1(O)CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@H]3CC[C@@]2(C)C1 ZINC000253617474 258014975 /nfs/dbraw/zinc/01/49/75/258014975.db2.gz OIDVIXDTUUEECQ-PVHSXGAPSA-N 0 0 328.496 4.353 50 30 EIEARN CCOC(=O)Cc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000032915314 258058750 /nfs/dbraw/zinc/05/87/50/258058750.db2.gz HMGSJRBPSDENFM-KPKJPENVSA-N 0 0 328.795 4.342 50 30 EIEARN CC(C)(C)CN(CCC#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000069699729 258063692 /nfs/dbraw/zinc/06/36/92/258063692.db2.gz RHNIPJMLVVLBTG-UHFFFAOYSA-N 0 0 332.835 4.152 50 30 EIEARN C[C@@H](CC#N)N(C)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000086280934 132820850 /nfs/dbraw/zinc/82/08/50/132820850.db2.gz OVOZASQGFLYTMJ-ZDUSSCGKSA-N 0 0 334.851 4.096 50 30 EIEARN O=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1ccc(F)cc1 ZINC000000110423 135644769 /nfs/dbraw/zinc/64/47/69/135644769.db2.gz AISWRMOFZCCZJZ-AWEZNQCLSA-N 0 0 341.407 4.415 50 30 EIEARN O=C(/C=C/c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 ZINC000005129615 135669914 /nfs/dbraw/zinc/66/99/14/135669914.db2.gz LCUHOSRXQHYXCP-XCVCLJGOSA-N 0 0 327.811 4.073 50 30 EIEARN CC(C)c1cc(C(=O)Nc2cccc(F)c2C#N)nn1-c1ccccc1 ZINC000121533756 221866608 /nfs/dbraw/zinc/86/66/08/221866608.db2.gz QPGPSXIJDGVJLC-UHFFFAOYSA-N 0 0 348.381 4.259 50 30 EIEARN O=C1C=Cc2ccccc2C1=NNc1ccc(N2CCCCC2)cc1 ZINC000013466755 518202372 /nfs/dbraw/zinc/20/23/72/518202372.db2.gz BDIGCKHUHVFUJG-LNVKXUELSA-N 0 0 331.419 4.089 50 30 EIEARN C#CCn1c2ccccc2s/c1=N\C(=O)c1cccc2ccccc21 ZINC000100875203 518344849 /nfs/dbraw/zinc/34/48/49/518344849.db2.gz BYKSXJWGZJLEJZ-DQRAZIAOSA-N 0 0 342.423 4.230 50 30 EIEARN C/C(CSC(=O)c1c(C)onc1-c1c(F)cccc1Cl)=N\O ZINC000001026150 518475705 /nfs/dbraw/zinc/47/57/05/518475705.db2.gz WSYLZFNPYZBYMM-REZTVBANSA-N 0 0 342.779 4.166 50 30 EIEARN C=C(C)CN(CC)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC000095401068 518595270 /nfs/dbraw/zinc/59/52/70/518595270.db2.gz FDVYLOFCSCJUBY-UHFFFAOYSA-N 0 0 336.395 4.175 50 30 EIEARN C=C(C)COc1ccccc1CN[C@H](C)c1cn2ccsc2n1 ZINC000055341018 518622852 /nfs/dbraw/zinc/62/28/52/518622852.db2.gz ZBZKHDWYSGIWFM-CQSZACIVSA-N 0 0 327.453 4.202 50 30 EIEARN C=CCc1ccc(OCCCOc2cccc(OC)c2)c(OC)c1 ZINC000002985896 519137685 /nfs/dbraw/zinc/13/76/85/519137685.db2.gz CPWIZHQMEOKQPT-UHFFFAOYSA-N 0 0 328.408 4.280 50 30 EIEARN C=CCc1ccccc1OCCn1c2ccccc2nc1[C@H](O)CC ZINC000021171001 519144698 /nfs/dbraw/zinc/14/46/98/519144698.db2.gz TXMNVMGTOCUZHI-LJQANCHMSA-N 0 0 336.435 4.287 50 30 EIEARN C=CCn1cc(CNCc2cc(Cl)ccc2OCCC)c(C)n1 ZINC000055326157 519281802 /nfs/dbraw/zinc/28/18/02/519281802.db2.gz AMHJMNIUQFTWSJ-UHFFFAOYSA-N 0 0 333.863 4.110 50 30 EIEARN CCCCCCCCOC(=O)CCn1c2ccccc2sc1=O ZINC000100700914 520040004 /nfs/dbraw/zinc/04/00/04/520040004.db2.gz YXMKGQYXKNMKLD-UHFFFAOYSA-N 0 0 335.469 4.357 50 30 EIEARN CC1(C)CC(=O)C=C(Nc2ccc(C(=O)NCc3ccccc3)cc2)C1 ZINC000001438819 520272771 /nfs/dbraw/zinc/27/27/71/520272771.db2.gz SCVUHXXVTJMUSC-UHFFFAOYSA-N 0 0 348.446 4.302 50 30 EIEARN CCCOc1cc(/C=C\C(=O)c2ccc3c(c2)OCO3)ccc1OC ZINC000033476719 520298530 /nfs/dbraw/zinc/29/85/30/520298530.db2.gz FPUVGXNQKPIECH-DAXSKMNVSA-N 0 0 340.375 4.109 50 30 EIEARN CCOc1cc(/C=C\C(=O)/C=C\c2cccc(OC)c2)ccc1OC ZINC000096124590 520637462 /nfs/dbraw/zinc/63/74/62/520637462.db2.gz GWAXTOCWSMPUNW-QAHSQZNUSA-N 0 0 338.403 4.398 50 30 EIEARN CCCCOc1ccc(/C=N/NC(=S)Nc2cccc(C)c2)cc1 ZINC000004231442 520855671 /nfs/dbraw/zinc/85/56/71/520855671.db2.gz FBWCDJDQWBYOLK-XSFVSMFZSA-N 0 0 341.480 4.494 50 30 EIEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(F)cc1 ZINC000004626422 521170116 /nfs/dbraw/zinc/17/01/16/521170116.db2.gz YZUGRMIYLDTCFB-KBXCAEBGSA-N 0 0 347.430 4.327 50 30 EIEARN CCOc1ccc([C@@H](CC(=O)c2ccccc2)C(C#N)C#N)cc1OC ZINC000000377304 521229173 /nfs/dbraw/zinc/22/91/73/521229173.db2.gz JRPZCZOOSRRHQV-GOSISDBHSA-N 0 0 348.402 4.114 50 30 EIEARN CCCCc1ccc(C(C)N=Nc2cc(-n3cc(C)cn3)ncn2)cc1 ZINC000004595718 521266665 /nfs/dbraw/zinc/26/66/65/521266665.db2.gz JOMHUZYTWLIGDO-LFVJCYFKSA-N 0 0 348.454 4.149 50 30 EIEARN COC(=O)c1sccc1N=NC(c1cccs1)c1ccccc1 ZINC000003909114 522442710 /nfs/dbraw/zinc/44/27/10/522442710.db2.gz MYWAJTQEPHJGBM-CYVLTUHYSA-N 0 0 342.445 4.461 50 30 EIEARN CO/N=C(/COc1cccc(C(F)(F)F)c1)c1ccc(OC)cc1 ZINC000005526816 522736311 /nfs/dbraw/zinc/73/63/11/522736311.db2.gz QUORYJIHXNGUCK-PGMHBOJBSA-N 0 0 339.313 4.144 50 30 EIEARN COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(C)c(C)c1 ZINC000006340770 522817110 /nfs/dbraw/zinc/81/71/10/522817110.db2.gz VQIGPXSJSHKQBT-CMDGGOBGSA-N 0 0 326.392 4.225 50 30 EIEARN COc1ccc(C(=O)C=CNc2cc(Cl)ccc2C)cc1OC ZINC000000352473 523536130 /nfs/dbraw/zinc/53/61/30/523536130.db2.gz HLHPKUIECYGFSI-CMDGGOBGSA-N 0 0 331.799 4.474 50 30 EIEARN COc1ccc(C(=O)/C=C\c2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000096766619 523545221 /nfs/dbraw/zinc/54/52/21/523545221.db2.gz NCFJTYYQUZRGII-YPKPFQOOSA-N 0 0 346.430 4.453 50 30 EIEARN Cc1cc(C(=O)OCC(=O)Nc2ccccc2F)c(C)n1C1CC1 ZINC000007575331 524194483 /nfs/dbraw/zinc/19/44/83/524194483.db2.gz IUMSZNHDPZUZQQ-UHFFFAOYSA-N 0 0 330.359 4.024 50 30 EIEARN COc1ccccc1CN=Nc1nc(-c2ccccc2)nc(C)c1C ZINC000004595680 524326542 /nfs/dbraw/zinc/32/65/42/524326542.db2.gz YEUIFDFXKSMHHM-FYJGNVAPSA-N 0 0 332.407 4.215 50 30 EIEARN COc1cccc(-c2cc(N=C(NC3CCCCC3)SC)[nH]n2)c1 ZINC000020440265 525699076 /nfs/dbraw/zinc/69/90/76/525699076.db2.gz MEGQDJGPBFYXSN-UHFFFAOYSA-N 0 0 344.484 4.358 50 30 EIEARN Cc1ccc(CN=Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000031854389 525965865 /nfs/dbraw/zinc/96/58/65/525965865.db2.gz QEBKHCYXCPPZJS-ZDLGFXPLSA-N 0 0 338.392 4.473 50 30 EIEARN C[C@H](SCc1ccccc1)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000048813307 525981277 /nfs/dbraw/zinc/98/12/77/525981277.db2.gz ONLVPBRHFIBPAL-DZGCQCFKSA-N 0 0 335.432 4.061 50 30 EIEARN N#CCC[C@@H](C#N)CSc1nc(-c2ccco2)nc2ccccc21 ZINC000012902866 526464355 /nfs/dbraw/zinc/46/43/55/526464355.db2.gz FDRGAGORUCTYMD-ZDUSSCGKSA-N 0 0 334.404 4.425 50 30 EIEARN c1nnc(SC/C(=N/c2ccccc2)Nc2ccccc2)s1 ZINC000003408773 526622228 /nfs/dbraw/zinc/62/22/28/526622228.db2.gz NMJVGXIAEYNFJZ-UHFFFAOYSA-N 0 0 326.450 4.473 50 30 EIEARN C#CCC1(C(=O)Nc2cccc(Oc3cnccn3)c2)CCCCC1 ZINC000170606858 526677374 /nfs/dbraw/zinc/67/73/74/526677374.db2.gz CCLHNBJBGVFPCC-UHFFFAOYSA-N 0 0 335.407 4.181 50 30 EIEARN Cn1nc(C(F)(F)F)c(/C=N/[O-])c1Sc1ccc(Cl)cc1 ZINC000100271480 563992037 /nfs/dbraw/zinc/99/20/37/563992037.db2.gz FFYVMFCIRRKFNR-UBKPWBPPSA-N 0 0 335.738 4.052 50 30 EIEARN Cc1cc(OCC(=O)Nc2ccc(CC#N)cc2)cc(C)c1Cl ZINC000000037218 563212066 /nfs/dbraw/zinc/21/20/66/563212066.db2.gz GORVHKPGJNUYQW-UHFFFAOYSA-N 0 0 328.799 4.040 50 30 EIEARN O=C1c2cccc3cccc(c32)C(=O)N1/N=C/c1ccc(Cl)cc1 ZINC000000059224 563213703 /nfs/dbraw/zinc/21/37/03/563213703.db2.gz JGYCPAHMZOAZIB-SRZZPIQSSA-N 0 0 334.762 4.123 50 30 EIEARN COc1ccc([C@@H](C#N)N2N=C(C)C[C@@H]2c2ccccc2)cc1OC ZINC000000227407 563263392 /nfs/dbraw/zinc/26/33/92/563263392.db2.gz VEBXWEIDCNURCO-QZTJIDSGSA-N 0 0 335.407 4.091 50 30 EIEARN CCOC(=O)c1c(/N=C/c2ccccc2O)sc2c1CCCC2 ZINC000000241397 563265403 /nfs/dbraw/zinc/26/54/03/563265403.db2.gz LXHXNQDRGGBIBQ-YBFXNURJSA-N 0 0 329.421 4.260 50 30 EIEARN COc1cc(OC)c(/C=N/c2cccc(C#N)c2)cc1Br ZINC000000297404 563274912 /nfs/dbraw/zinc/27/49/12/563274912.db2.gz KGJNOLBPSQCWNB-VXLYETTFSA-N 0 0 345.196 4.089 50 30 EIEARN N#CC1(Nc2cccc(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000000394294 563304470 /nfs/dbraw/zinc/30/44/70/563304470.db2.gz RSJDUDFFVNFZPH-UHFFFAOYSA-N 0 0 325.843 4.310 50 30 EIEARN Cc1nn(CC(C)C)c(Cl)c1/C=C1/Cc2c(cccc2O)C1=O ZINC000071887447 563389601 /nfs/dbraw/zinc/38/96/01/563389601.db2.gz NTHJPJCHSQGFDD-GHXNOFRVSA-N 0 0 330.815 4.029 50 30 EIEARN CC(Nc1cc(C)nc2ccccc21)=C1C(=O)c2ccccc2C1=O ZINC000002543582 563440221 /nfs/dbraw/zinc/44/02/21/563440221.db2.gz NJTFAZMPPDVEDN-UHFFFAOYSA-N 0 0 328.371 4.308 50 30 EIEARN O=C1/C(=C/c2cccs2)SC(=S)N1/N=C/c1cccs1 ZINC000002823080 563452936 /nfs/dbraw/zinc/45/29/36/563452936.db2.gz GISPPIWGLBYBBJ-WIFBXHMDSA-N 0 0 336.488 4.045 50 30 EIEARN N#CCc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 ZINC000002837016 563453972 /nfs/dbraw/zinc/45/39/72/563453972.db2.gz JQRRKKKLXADMFT-UHFFFAOYSA-N 0 0 349.390 4.111 50 30 EIEARN COc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)cc1C ZINC000003262783 563478448 /nfs/dbraw/zinc/47/84/48/563478448.db2.gz OQEGAFYRNDLTTM-BOPFTXTBSA-N 0 0 338.432 4.204 50 30 EIEARN CC(N=Nc1nnc(Cl)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000004812459 563511602 /nfs/dbraw/zinc/51/16/02/563511602.db2.gz GKXRTVIPCADKKD-VCHYOVAHSA-N 0 0 341.758 4.028 50 30 EIEARN CC[C@H](C)Oc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000004916423 563515548 /nfs/dbraw/zinc/51/55/48/563515548.db2.gz OCIYDOVPQKMEKK-ZFWWWQNUSA-N 0 0 341.451 4.111 50 30 EIEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(F)cc1 ZINC000004952725 563515841 /nfs/dbraw/zinc/51/58/41/563515841.db2.gz KUSBPJZEYQXSET-UFWORHAWSA-N 0 0 327.237 4.199 50 30 EIEARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000005073143 563520473 /nfs/dbraw/zinc/52/04/73/563520473.db2.gz LFZWNEGEMSRTCH-BQYQJAHWSA-N 0 0 332.153 4.253 50 30 EIEARN Cc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)c2nccs2)cc1 ZINC000005217309 563523199 /nfs/dbraw/zinc/52/31/99/563523199.db2.gz NWAKSLWLGSRJFW-LGMDPLHJSA-N 0 0 348.427 4.105 50 30 EIEARN CCOc1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1 ZINC000005551672 563538894 /nfs/dbraw/zinc/53/88/94/563538894.db2.gz AAYXEWJLWJMMMV-WJDWOHSUSA-N 0 0 342.395 4.116 50 30 EIEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccco2)cc1 ZINC000006781574 563586011 /nfs/dbraw/zinc/58/60/11/563586011.db2.gz JGFIKWYPJYBTHS-WOJGMQOQSA-N 0 0 326.425 4.007 50 30 EIEARN C=CCCCN(C)C(=O)Nc1cccc(Br)c1COC ZINC000071915050 563616636 /nfs/dbraw/zinc/61/66/36/563616636.db2.gz RXDRZWQZRUSWCC-UHFFFAOYSA-N 0 0 341.249 4.025 50 30 EIEARN COc1ccc([C@@H]2CC(=O)C=C(Nc3ccccc3C)C2)cc1OC ZINC000008416058 563629748 /nfs/dbraw/zinc/62/97/48/563629748.db2.gz XOLHBINFUXPTQO-INIZCTEOSA-N 0 0 337.419 4.455 50 30 EIEARN CCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(O)cc1 ZINC000008438741 563630174 /nfs/dbraw/zinc/63/01/74/563630174.db2.gz NLUDKIYQQWZKRM-SFHVURJKSA-N 0 0 345.439 4.037 50 30 EIEARN N#C[C@@]12CCCC[C@H]1C[C@H]1CCCC[C@]1(C#N)N2Cc1ccccn1 ZINC000013116339 563688489 /nfs/dbraw/zinc/68/84/89/563688489.db2.gz CBZQHICWBVVOJL-GHSBBIOCSA-N 0 0 334.467 4.192 50 30 EIEARN FC(F)Oc1ccc(NC(=S)NCc2ccco2)cc1Cl ZINC000013519736 563700300 /nfs/dbraw/zinc/70/03/00/563700300.db2.gz FWLSXBQOAQKCLL-UHFFFAOYSA-N 0 0 332.759 4.432 50 30 EIEARN C[C@H]1CC(C)(C)N2C(=O)/C(=N\c3ccc4c(c3)OCO4)c3cccc1c32 ZINC000013814774 563724508 /nfs/dbraw/zinc/72/45/08/563724508.db2.gz OGJCKFDWRAVTEV-PLGGJAHISA-N 0 0 348.402 4.169 50 30 EIEARN CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=NNc1ccc(Br)cc1 ZINC000016102434 563803598 /nfs/dbraw/zinc/80/35/98/563803598.db2.gz CVOAGYFSJXVZTN-UMMUAKONSA-N 0 0 335.245 4.242 50 30 EIEARN Cc1ccc(/N=C2/NC(=O)[C@@H](Cc3ccc(Cl)cc3)S2)cc1 ZINC000017040816 563829760 /nfs/dbraw/zinc/82/97/60/563829760.db2.gz RHFFZUMVAICYEV-OAHLLOKOSA-N 0 0 330.840 4.110 50 30 EIEARN C/C(=N/NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C1CCCCC1 ZINC000017070782 563833234 /nfs/dbraw/zinc/83/32/34/563833234.db2.gz AIFDSDLAKXAAPU-RGEXLXHISA-N 0 0 336.501 4.219 50 30 EIEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000018117049 563849015 /nfs/dbraw/zinc/84/90/15/563849015.db2.gz 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/nfs/dbraw/zinc/93/26/68/563932668.db2.gz LHVFSRTYOLJAIV-UHFFFAOYSA-N 0 0 346.390 4.261 50 30 EIEARN O=C1c2cc(F)ccc2OCC/C1=C/c1cnn(Cc2ccccc2)c1 ZINC000058391739 563944497 /nfs/dbraw/zinc/94/44/97/563944497.db2.gz BTAUOEZUKLKWCD-YVLHZVERSA-N 0 0 348.377 4.119 50 30 EIEARN CC(=O)c1ccc(C#CCOC(=O)Nc2ccc(Cl)cc2)s1 ZINC000003137744 563949778 /nfs/dbraw/zinc/94/97/78/563949778.db2.gz LCRSGNREKGPJEG-UHFFFAOYSA-N 0 0 333.796 4.204 50 30 EIEARN CCn1ccc2ccc(NC(=O)N(CCC#N)Cc3cccnc3)cc21 ZINC000096468736 563954471 /nfs/dbraw/zinc/95/44/71/563954471.db2.gz PQIOGRKJDOKNRD-UHFFFAOYSA-N 0 0 347.422 4.004 50 30 EIEARN O=C(OCC#Cc1ccc(-c2ccccn2)s1)c1cccs1 ZINC000003125883 563962844 /nfs/dbraw/zinc/96/28/44/563962844.db2.gz ZNJPNCYUQOBEHR-UHFFFAOYSA-N 0 0 325.414 4.080 50 30 EIEARN Clc1ccc(OCc2ccccc2Cl)c(/C=N/n2cnnc2)c1 ZINC000004677154 563963698 /nfs/dbraw/zinc/96/36/98/563963698.db2.gz IBWATWXVQJWMEN-ODCIPOBUSA-N 0 0 347.205 4.046 50 30 EIEARN Oc1ccc2ccccc2c1C=NNc1ccc(C(F)(F)F)cn1 ZINC000004703511 563965874 /nfs/dbraw/zinc/96/58/74/563965874.db2.gz ZFLBEGYTGOVTEM-LSHDLFTRSA-N 0 0 331.297 4.405 50 30 EIEARN N#Cc1cc2c(nc1SCC(=O)c1ccc(Cl)cc1)CCC2 ZINC000000084219 563975012 /nfs/dbraw/zinc/97/50/12/563975012.db2.gz XDFLXQFQQXUAOD-UHFFFAOYSA-N 0 0 328.824 4.070 50 30 EIEARN Cc1cccc(-c2nc(CC(=O)Nc3ccc(C#N)cc3)cs2)c1 ZINC000014134666 563983273 /nfs/dbraw/zinc/98/32/73/563983273.db2.gz FQMHDNWOTVXZHM-UHFFFAOYSA-N 0 0 333.416 4.171 50 30 EIEARN O=C(/C=C/c1ccccn1)Nc1cccc(C#Cc2cccs2)c1 ZINC000060869106 563983387 /nfs/dbraw/zinc/98/33/87/563983387.db2.gz XVIFWZNKNITNJJ-ZRDIBKRKSA-N 0 0 330.412 4.195 50 30 EIEARN N#Cc1c(NC(=O)Cc2cccc3ccccc32)sc2c1CCC2 ZINC000000137266 563987048 /nfs/dbraw/zinc/98/70/48/563987048.db2.gz YVHWEQGOJLSCGU-UHFFFAOYSA-N 0 0 332.428 4.443 50 30 EIEARN CSc1nc(Cl)c(C#N)c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000000166805 563987503 /nfs/dbraw/zinc/98/75/03/563987503.db2.gz LVAKQOUNOWWWFS-UHFFFAOYSA-N 0 0 344.749 4.486 50 30 EIEARN Oc1ccccc1/C=N/c1ccc(OCC(F)(F)C(F)F)cc1 ZINC000000221430 563988849 /nfs/dbraw/zinc/98/88/49/563988849.db2.gz ZFVWPDMDQKTNOG-ZVBGSRNCSA-N 0 0 327.277 4.422 50 30 EIEARN COc1cc(/C=C2\CC[C@H](C3CCCC3)C2=O)cc(OC)c1OC ZINC000000247796 563989408 /nfs/dbraw/zinc/98/94/08/563989408.db2.gz OTWVFZBVSUIEKE-AAGJOFLKSA-N 0 0 330.424 4.265 50 30 EIEARN COc1ccccc1-n1cnc2cc(/N=C/c3ccccc3O)ccc21 ZINC000000255312 563989534 /nfs/dbraw/zinc/98/95/34/563989534.db2.gz KITODRFLYHKQCS-LPYMAVHISA-N 0 0 343.386 4.490 50 30 EIEARN COc1ccc(/C=N/CCc2ccc(OC)c(OC)c2)cc1Cl ZINC000100293230 563992129 /nfs/dbraw/zinc/99/21/29/563992129.db2.gz QSSJNHWNGJCRAB-UDWIEESQSA-N 0 0 333.815 4.027 50 30 EIEARN O=C1c2ccccc2S/C1=N\Nc1cccc(Br)c1 ZINC000004996948 563993753 /nfs/dbraw/zinc/99/37/53/563993753.db2.gz IEWKJEJXOHFGBX-VKAVYKQESA-N 0 0 333.210 4.163 50 30 EIEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc3ccccc3c2)n1 ZINC000005014944 563993776 /nfs/dbraw/zinc/99/37/76/563993776.db2.gz IMBWXEBLBOVGCF-UHFFFAOYSA-N 0 0 347.443 4.454 50 30 EIEARN Fc1ccccc1CN=Nc1nc(-c2ccccn2)nc2ccccc21 ZINC000005025347 563993847 /nfs/dbraw/zinc/99/38/47/563993847.db2.gz ZZVCWFVEEJCMAK-YDZHTSKRSA-N 0 0 343.365 4.277 50 30 EIEARN N#Cc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 ZINC000044441487 563995447 /nfs/dbraw/zinc/99/54/47/563995447.db2.gz IGYYBCAEWGPLIM-UHFFFAOYSA-N 0 0 338.370 4.354 50 30 EIEARN Cc1cc(C)c(C#N)c(-c2cccc(C(=O)N3CC=C[C@@H]3C(C)C)c2)n1 ZINC000426551735 563996300 /nfs/dbraw/zinc/99/63/00/563996300.db2.gz BXTKBNFBETXWJP-HXUWFJFHSA-N 0 0 345.446 4.274 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1cccc(F)c1 ZINC000000428066 563998873 /nfs/dbraw/zinc/99/88/73/563998873.db2.gz MXKZHQRWDHTQIW-YJBOKZPZSA-N 0 0 344.407 4.207 50 30 EIEARN COc1ccc(-c2nnc(S[C@@H](C)C#N)n2C2CCCCC2)cc1 ZINC000005213051 564001091 /nfs/dbraw/zinc/00/10/91/564001091.db2.gz SGHQPTRLURVIPN-ZDUSSCGKSA-N 0 0 342.468 4.463 50 30 EIEARN N#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000005280015 564002346 /nfs/dbraw/zinc/00/23/46/564002346.db2.gz 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/nfs/dbraw/zinc/01/91/81/564019181.db2.gz CJPOEPRRYSQVIK-UHFFFAOYSA-N 0 0 347.422 4.310 50 30 EIEARN CC(=O)Oc1oc(-c2ccccc2)nc1C=Nc1cccc(C(C)=O)c1 ZINC000000503866 564019223 /nfs/dbraw/zinc/01/92/23/564019223.db2.gz NPSCYXWDABFFRF-CIAFOILYSA-N 0 0 348.358 4.220 50 30 EIEARN O=C1C=CC2=N[C@@]3(c4ccccc4)CCC=C(c4ccccc4)N3C2=C1 ZINC000000506780 564019537 /nfs/dbraw/zinc/01/95/37/564019537.db2.gz FUFIYGWTSAIFHZ-QHCPKHFHSA-N 0 0 338.410 4.454 50 30 EIEARN CCCCCCCCCNC(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000102935120 564020946 /nfs/dbraw/zinc/02/09/46/564020946.db2.gz AIQRYCQTXVNPHB-UHFFFAOYSA-N 0 0 330.472 4.076 50 30 EIEARN C=C(C)CSc1nc2ccccc2c(=O)n1-c1ccccc1OC ZINC000000546455 564022740 /nfs/dbraw/zinc/02/27/40/564022740.db2.gz AFEUGFSUSWVMJU-UHFFFAOYSA-N 0 0 338.432 4.063 50 30 EIEARN S=C(N/N=C/c1cccs1)Nc1ccc(Cl)cc1Cl ZINC000000548393 564022755 /nfs/dbraw/zinc/02/27/55/564022755.db2.gz ZHFJZQKGUOVTQZ-VIZOYTHASA-N 0 0 330.265 4.375 50 30 EIEARN Cc1ccc(OCc2nc(C#N)c(NCc3ccc(F)cc3)o2)cc1 ZINC000000553068 564022951 /nfs/dbraw/zinc/02/29/51/564022951.db2.gz AQJBCJIGTOWBKP-UHFFFAOYSA-N 0 0 337.354 4.185 50 30 EIEARN CC(=CC(=O)[C@@H](C#N)c1ccccn1)c1ccc(C(F)(F)F)cc1 ZINC000103735799 564023086 /nfs/dbraw/zinc/02/30/86/564023086.db2.gz AZIOBYNBHMDYSQ-PABFRNLHSA-N 0 0 330.309 4.380 50 30 EIEARN Cc1nc2cc(NC=C3C(=O)CC4(CCCCC4)CC3=O)ccc2o1 ZINC000103840968 564023190 /nfs/dbraw/zinc/02/31/90/564023190.db2.gz XWIFYUOYVRHXAS-UHFFFAOYSA-N 0 0 338.407 4.315 50 30 EIEARN N#Cc1ccccc1Cn1cc(C(=O)c2ccco2)c2ccccc21 ZINC000000560603 564023249 /nfs/dbraw/zinc/02/32/49/564023249.db2.gz YJZSYNXIAKTQNZ-UHFFFAOYSA-N 0 0 326.355 4.385 50 30 EIEARN Cc1ccccc1C[C@H]1S/C(=N/c2ccc(Cl)cc2)NC1=O ZINC000005752687 564027691 /nfs/dbraw/zinc/02/76/91/564027691.db2.gz YEYUDVMRSGMWDR-OAHLLOKOSA-N 0 0 330.840 4.110 50 30 EIEARN C/N=C(/SCC(=O)c1ccccc1)c1c(C)n(C)c2ccccc21 ZINC000109204194 564028701 /nfs/dbraw/zinc/02/87/01/564028701.db2.gz LJLLICZTGQVAMQ-QZQOTICOSA-N 0 0 336.460 4.479 50 30 EIEARN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000257358759 564055988 /nfs/dbraw/zinc/05/59/88/564055988.db2.gz WFEIIAIREWCXNS-DGCUILNZSA-N 0 0 342.479 4.149 50 30 EIEARN Cc1ccc2c(c1)N(Cc1ccc(C#N)cc1)C(=O)c1cccnc1O2 ZINC000005942806 564057224 /nfs/dbraw/zinc/05/72/24/564057224.db2.gz NURJXZRWBXLXOE-UHFFFAOYSA-N 0 0 341.370 4.214 50 30 EIEARN C#CCSc1nc2ccccc2c(=O)n1-c1ccc(C)c(Cl)c1 ZINC000003449585 564059714 /nfs/dbraw/zinc/05/97/14/564059714.db2.gz YRBBDQFKDVAPMQ-UHFFFAOYSA-N 0 0 340.835 4.073 50 30 EIEARN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000012603762 564060480 /nfs/dbraw/zinc/06/04/80/564060480.db2.gz AMOYUDNYHSWBRD-INIZCTEOSA-N 0 0 331.419 4.361 50 30 EIEARN N#Cc1cc(-c2ccc(Cl)cc2)cn(Cc2ccccc2F)c1=O ZINC000001388553 564063977 /nfs/dbraw/zinc/06/39/77/564063977.db2.gz DCVVRDXWRNPWJG-UHFFFAOYSA-N 0 0 338.769 4.228 50 30 EIEARN CN(Cc1ccc(-c2ccccc2)cc1)c1ncc([N+](=O)[O-])cc1C#N ZINC000083862628 564064001 /nfs/dbraw/zinc/06/40/01/564064001.db2.gz OJGQTQSPXMCURW-UHFFFAOYSA-N 0 0 344.374 4.165 50 30 EIEARN C=C(Br)CSc1nnc(C[C@H](C)c2ccccc2)o1 ZINC000059928590 564065947 /nfs/dbraw/zinc/06/59/47/564065947.db2.gz ADOTXAHYHDMVJP-JTQLQIEISA-N 0 0 339.258 4.417 50 30 EIEARN C=C(C)[C@@H]1CC(=O)[C@H](C)[C@H]([C@@H]2CCc3cc(OC)ccc3C2=O)C1 ZINC000230509073 564065868 /nfs/dbraw/zinc/06/58/68/564065868.db2.gz AWFFMSDYWLBCOX-OPGCRTJHSA-N 0 0 326.436 4.248 50 30 EIEARN COc1ccccc1Nc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000001425893 564066278 /nfs/dbraw/zinc/06/62/78/564066278.db2.gz CFKHHQWPVFFKCX-UHFFFAOYSA-N 0 0 328.375 4.420 50 30 EIEARN C=CCc1cc(C=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000005651997 564070616 /nfs/dbraw/zinc/07/06/16/564070616.db2.gz KFBUQNWCJDYAQR-UHFFFAOYSA-N 0 0 341.363 4.114 50 30 EIEARN C=CCSc1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 ZINC000006052372 564070713 /nfs/dbraw/zinc/07/07/13/564070713.db2.gz NJEZIRMMJPYZIK-UHFFFAOYSA-N 0 0 349.525 4.361 50 30 EIEARN CC1=C(C(=O)c2ccccc2)[C@H](c2cccc3ccccc32)NC(=O)N1 ZINC000006050382 564072799 /nfs/dbraw/zinc/07/27/99/564072799.db2.gz GECNUUKTTPUGMP-FQEVSTJZSA-N 0 0 342.398 4.351 50 30 EIEARN C=C(C)COc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000000547684 564074612 /nfs/dbraw/zinc/07/46/12/564074612.db2.gz NIFZHJACPKDYDP-UHFFFAOYSA-N 0 0 341.436 4.046 50 30 EIEARN C=CCC[C@H]([C@@H](OC)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002074664 564074791 /nfs/dbraw/zinc/07/47/91/564074791.db2.gz HXNAVZIYCCBMGV-UXHICEINSA-N 0 0 344.476 4.491 50 30 EIEARN C#CCOc1ccc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000002054051 564074806 /nfs/dbraw/zinc/07/48/06/564074806.db2.gz BPZKBJUBZUELRV-AQTBWJFISA-N 0 0 349.411 4.248 50 30 EIEARN Clc1ccc(C=NN2CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000245238230 564075062 /nfs/dbraw/zinc/07/50/62/564075062.db2.gz GWDVJORTNAILEB-UHFFFAOYSA-N 0 0 348.277 4.145 50 30 EIEARN C[C@@H](CC#N)N(C)C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000086299434 564075539 /nfs/dbraw/zinc/07/55/39/564075539.db2.gz DWDNJBGRUURUOB-INIZCTEOSA-N 0 0 337.423 4.169 50 30 EIEARN C=CC[C@@]1(O)/C(=C/c2ccccc2)CC[C@]2(CCCO2)[C@@]12CCCO2 ZINC000043763126 564076231 /nfs/dbraw/zinc/07/62/31/564076231.db2.gz ACCJXSBECZTEEL-NZNQNXNISA-N 0 0 340.463 4.269 50 30 EIEARN C=C[C@](C)(C[C@@H](OC)[C@]1(C)C2=C(CCC2=O)CC[C@@H]1C)[C@H](O)CC ZINC000101140220 564076355 /nfs/dbraw/zinc/07/63/55/564076355.db2.gz LECQFYAXBMWBMJ-LLKJBZILSA-N 0 0 334.500 4.450 50 30 EIEARN O=C(Nc1cccc(C#Cc2cccs2)c1)[C@@H]1Cc2ccccc2O1 ZINC000012905878 564077848 /nfs/dbraw/zinc/07/78/48/564077848.db2.gz HYFLULRERWPZHP-FQEVSTJZSA-N 0 0 345.423 4.090 50 30 EIEARN COc1cccc([C@@H](C)N(Cc2ccccc2C#N)c2cnn(C)c2)c1 ZINC000075094050 564079938 /nfs/dbraw/zinc/07/99/38/564079938.db2.gz FINKKKDUBWYEIT-MRXNPFEDSA-N 0 0 346.434 4.068 50 30 EIEARN O=C(/C=C/c1csc(-c2cccs2)n1)C(=O)c1ccccc1 ZINC000075105854 564080098 /nfs/dbraw/zinc/08/00/98/564080098.db2.gz WTXYYCYXYWZKQN-CMDGGOBGSA-N 0 0 325.414 4.337 50 30 EIEARN COc1cccc(/C=N/[C@H](c2ccccc2)[C@@H](O)c2ccccc2)c1O ZINC000075283071 564081530 /nfs/dbraw/zinc/08/15/30/564081530.db2.gz GPAIGKMUMHWDAF-WZVFGVIXSA-N 0 0 347.414 4.295 50 30 EIEARN Clc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000238937388 564087978 /nfs/dbraw/zinc/08/79/78/564087978.db2.gz VAEYKRLNDAXEIH-UHFFFAOYSA-N 0 0 348.277 4.145 50 30 EIEARN CCc1ccc2ncc(C#N)c(Nc3cc(OC)cc(OC)c3)c2c1 ZINC000064438748 564091290 /nfs/dbraw/zinc/09/12/90/564091290.db2.gz BYFVKPXHRQVOCT-UHFFFAOYSA-N 0 0 333.391 4.430 50 30 EIEARN Cc1nnc(S[C@@H](C#N)Cc2ccc(C)cc2)n1Cc1ccccc1 ZINC000006589420 564092332 /nfs/dbraw/zinc/09/23/32/564092332.db2.gz SBNJNSODLMQPDT-LJQANCHMSA-N 0 0 348.475 4.170 50 30 EIEARN C=CCOc1cccc(-c2nc3c(c(=O)[nH]2)Cc2ccccc2O3)c1 ZINC000006748567 564097037 /nfs/dbraw/zinc/09/70/37/564097037.db2.gz BZHWWRJAPCYDMM-UHFFFAOYSA-N 0 0 332.359 4.111 50 30 EIEARN COc1cccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCCCC2)c1 ZINC000006768404 564097392 /nfs/dbraw/zinc/09/73/92/564097392.db2.gz SKIJICLAGXSBEY-UHFFFAOYSA-N 0 0 349.438 4.344 50 30 EIEARN N#Cc1cc(OC(C(F)(F)F)C(F)(F)F)ccc1Br ZINC000169725817 564099207 /nfs/dbraw/zinc/09/92/07/564099207.db2.gz HYKUYDWMKGSSIC-UHFFFAOYSA-N 0 0 348.040 4.193 50 30 EIEARN CCCCOc1ccc(C(=O)Nc2cccc(C#N)c2)cc1OCC ZINC000006880868 564100568 /nfs/dbraw/zinc/10/05/68/564100568.db2.gz DEORICFGFFKDEK-UHFFFAOYSA-N 0 0 338.407 4.388 50 30 EIEARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(=O)[nH]c1 ZINC000006967491 564102432 /nfs/dbraw/zinc/10/24/32/564102432.db2.gz VNSTWEJSIXZWQF-UHFFFAOYSA-N 0 0 347.399 4.288 50 30 EIEARN CCc1nc2ccc(-c3noc(-c4cccc(C#N)c4)n3)cc2n1CC ZINC000065240690 564103325 /nfs/dbraw/zinc/10/33/25/564103325.db2.gz OTTHTMPVGPXKKV-UHFFFAOYSA-N 0 0 343.390 4.207 50 30 EIEARN N#Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000007057196 564104000 /nfs/dbraw/zinc/10/40/00/564104000.db2.gz WYYJYCZUJPIQBD-UHFFFAOYSA-N 0 0 334.400 4.026 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccccc1F ZINC000170615204 564110020 /nfs/dbraw/zinc/11/00/20/564110020.db2.gz QRHFCBVTXGJERR-CRAIPNDOSA-N 0 0 344.407 4.207 50 30 EIEARN Cc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000003904081 564111645 /nfs/dbraw/zinc/11/16/45/564111645.db2.gz SRBBCQOOXRLZOZ-UHFFFAOYSA-N 0 0 346.430 4.184 50 30 EIEARN COc1cccc(NC(=S)NN=C(C)c2cc3ccccc3o2)c1 ZINC000252457432 564118586 /nfs/dbraw/zinc/11/85/86/564118586.db2.gz IFENCILDGMZQFE-UHFFFAOYSA-N 0 0 339.420 4.152 50 30 EIEARN O=C1/C(=C\c2ccsc2)SC(=S)N1N=Cc1ccsc1 ZINC000252620440 564122356 /nfs/dbraw/zinc/12/23/56/564122356.db2.gz MEHGHKIDHQPFIN-FFRNCUFASA-N 0 0 336.488 4.045 50 30 EIEARN CC(=CN=Nc1nnc2c3cccc(C)c3[nH]c2n1)Cc1ccccc1 ZINC000252622841 564122951 /nfs/dbraw/zinc/12/29/51/564122951.db2.gz ODXMZFBZURHPMP-CJANTZLASA-N 0 0 342.406 4.316 50 30 EIEARN Oc1ccc2ccccc2c1C=Nc1ccc(Br)cn1 ZINC000252625948 564123284 /nfs/dbraw/zinc/12/32/84/564123284.db2.gz QSRNWHCSRKOTIV-UHFFFAOYSA-N 0 0 327.181 4.454 50 30 EIEARN C(=NN=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000252635211 564124587 /nfs/dbraw/zinc/12/45/87/564124587.db2.gz WVIVQQPBGCHCTI-UHFFFAOYSA-N 0 0 328.371 4.287 50 30 EIEARN O=[S@@]1ON(c2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000231426780 564130153 /nfs/dbraw/zinc/13/01/53/564130153.db2.gz XCPJXMDAPAUDOS-NTKDMRAZSA-N 0 0 336.416 4.222 50 30 EIEARN C=CCSc1nc2c(c(=O)n1CC=C)C(C)(C)Cc1ccccc1-2 ZINC000002314951 564132162 /nfs/dbraw/zinc/13/21/62/564132162.db2.gz PYEKAEBMHYKPEZ-UHFFFAOYSA-N 0 0 338.476 4.208 50 30 EIEARN Cc1ccc(C)c(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1 ZINC000000141584 564132914 /nfs/dbraw/zinc/13/29/14/564132914.db2.gz XTMQDZMEPPMDGX-UHFFFAOYSA-N 0 0 340.448 4.133 50 30 EIEARN CN(C)c1nccc(N(Cc2ccccc2)Cc2ccccc2)c1C#N ZINC000000210123 564133018 /nfs/dbraw/zinc/13/30/18/564133018.db2.gz FSZZPPMHTJCPBD-UHFFFAOYSA-N 0 0 342.446 4.226 50 30 EIEARN Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)ccc1Cl ZINC000000566909 564133450 /nfs/dbraw/zinc/13/34/50/564133450.db2.gz ZLQVKZPZAPZUSA-UHFFFAOYSA-N 0 0 346.839 4.088 50 30 EIEARN C=C(C)CSc1nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o1 ZINC000002394618 564134491 /nfs/dbraw/zinc/13/44/91/564134491.db2.gz ZHGDYIDSZRWBSI-LBPRGKRZSA-N 0 0 341.477 4.350 50 30 EIEARN CC[C@H]1c2[nH]cnc2CCN1Cc1ccc(-c2ccccc2C#N)o1 ZINC000067771808 564134883 /nfs/dbraw/zinc/13/48/83/564134883.db2.gz SLUZAVSIPVCVMI-SFHVURJKSA-N 0 0 332.407 4.051 50 30 EIEARN CO/N=C/c1c(SCc2ccc(Cl)cc2)nc2sccn12 ZINC000012950138 564135684 /nfs/dbraw/zinc/13/56/84/564135684.db2.gz SNKDJLNWKWHGCV-LZYBPNLTSA-N 0 0 337.857 4.322 50 30 EIEARN N#Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000012981702 564135761 /nfs/dbraw/zinc/13/57/61/564135761.db2.gz YSNUTHNIOGHGMM-INIZCTEOSA-N 0 0 347.443 4.188 50 30 EIEARN Cc1nnc([C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)o1 ZINC000079030566 564137702 /nfs/dbraw/zinc/13/77/02/564137702.db2.gz KUFADZZBRMMSPV-ZDUSSCGKSA-N 0 0 334.379 4.002 50 30 EIEARN C=CC[C@@H](CC)NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000390835552 564139022 /nfs/dbraw/zinc/13/90/22/564139022.db2.gz QMUHGLWEPLFFIL-CQSZACIVSA-N 0 0 327.384 4.008 50 30 EIEARN C=CCN(Cc1cccc2ccccc21)S(=O)(=O)c1cccs1 ZINC000095348845 564139231 /nfs/dbraw/zinc/13/92/31/564139231.db2.gz OHGWGGFYDLVEHT-UHFFFAOYSA-N 0 0 343.473 4.278 50 30 EIEARN C[C@@H]1C[C@@]2(C)[C@H](CC[C@H]3[C@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]32)CC1=NN ZINC000254482741 564141778 /nfs/dbraw/zinc/14/17/78/564141778.db2.gz BQTJGNTXJNEPFQ-HJSDYLBWSA-N 0 0 332.532 4.341 50 30 EIEARN COCc1ccc(C(=O)Nc2ccccc2SCCC#N)cc1 ZINC000095953578 564142421 /nfs/dbraw/zinc/14/24/21/564142421.db2.gz JNJAQKZFPJKIAN-UHFFFAOYSA-N 0 0 326.421 4.091 50 30 EIEARN CCO[C@@H](C)c1nc(C(=O)Nc2sc(C)c(CC)c2C#N)cs1 ZINC000095960738 564142755 /nfs/dbraw/zinc/14/27/55/564142755.db2.gz ZOJWAZOJADWTIF-VIFPVBQESA-N 0 0 349.481 4.297 50 30 EIEARN O=C(/C=C\c1csc(-c2cccs2)n1)C(=O)c1ccccc1 ZINC000096055617 564145155 /nfs/dbraw/zinc/14/51/55/564145155.db2.gz WTXYYCYXYWZKQN-HJWRWDBZSA-N 0 0 325.414 4.337 50 30 EIEARN CC[C@](C)(NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1nccs1 ZINC000096417952 564147852 /nfs/dbraw/zinc/14/78/52/564147852.db2.gz ZEAUHIAWJBGTRS-SFHVURJKSA-N 0 0 342.468 4.391 50 30 EIEARN C=CCNC(=O)Nc1ccc(NCc2cnc(C3CCC3)s2)cc1 ZINC000096473084 564148385 /nfs/dbraw/zinc/14/83/85/564148385.db2.gz BVEOXZSCCAFXPC-UHFFFAOYSA-N 0 0 342.468 4.330 50 30 EIEARN CCc1ccc(N2CC(=O)C(=C3Sc4ccccc4N3C)C2=N)cc1 ZINC000334157787 564148870 /nfs/dbraw/zinc/14/88/70/564148870.db2.gz ZKTODUVBOHNENY-NHQVQRKFSA-N 0 0 349.459 4.069 50 30 EIEARN Cc1cc(C=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000002597451 564151090 /nfs/dbraw/zinc/15/10/90/564151090.db2.gz NRUZZXBTEHRYKO-UHFFFAOYSA-N 0 0 330.387 4.357 50 30 EIEARN CCc1ccc(OCC(=O)[C@H](C#N)c2nc3ccccc3s2)cc1 ZINC000002660069 564152015 /nfs/dbraw/zinc/15/20/15/564152015.db2.gz RAKOIKLREQIEJF-HNNXBMFYSA-N 0 0 336.416 4.114 50 30 EIEARN CNc1ccc(/C=C2\CSc3ccc(F)cc3C2=O)cc1[N+](=O)[O-] ZINC000057435368 564154272 /nfs/dbraw/zinc/15/42/72/564154272.db2.gz ZFHIFUGWUMWMAY-IZZDOVSWSA-N 0 0 344.367 4.148 50 30 EIEARN C=CCCO[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 ZINC000057985326 564156939 /nfs/dbraw/zinc/15/69/39/564156939.db2.gz FIRFRESGCAXIQP-AWEZNQCLSA-N 0 0 330.453 4.347 50 30 EIEARN C=CCn1cnc2c(oc3nc(C4CCCCC4)c4c(c32)CCC4)c1=O ZINC000032102051 564160815 /nfs/dbraw/zinc/16/08/15/564160815.db2.gz BQYINAKJXKOCCR-UHFFFAOYSA-N 0 0 349.434 4.260 50 30 EIEARN C[C@@H](C#N)Sc1nnc(-c2ccccc2F)n1Cc1ccccc1 ZINC000004244420 564161237 /nfs/dbraw/zinc/16/12/37/564161237.db2.gz UOTFIAOKKCRXSR-ZDUSSCGKSA-N 0 0 338.411 4.137 50 30 EIEARN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCCCCC1 ZINC000008119219 564162837 /nfs/dbraw/zinc/16/28/37/564162837.db2.gz HTEQKGIUBWOSSG-AWEZNQCLSA-N 0 0 345.512 4.092 50 30 EIEARN Cc1ncc(CO)c(/C=N/c2ccc(Cl)cc2C(F)(F)F)c1O ZINC000067240534 564165388 /nfs/dbraw/zinc/16/53/88/564165388.db2.gz ACIMJCJQPPFHJY-AERZKKPOSA-N 0 0 344.720 4.011 50 30 EIEARN COc1ccccc1/C=C/c1nc(C#N)c(NCCc2ccccc2)o1 ZINC000008495874 564165465 /nfs/dbraw/zinc/16/54/65/564165465.db2.gz XWSPRUZXJDSWRS-VAWYXSNFSA-N 0 0 345.402 4.380 50 30 EIEARN C=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccccc2F)c1 ZINC000008558574 564165684 /nfs/dbraw/zinc/16/56/84/564165684.db2.gz ZUVZJYXDALITON-KRWDZBQOSA-N 0 0 329.371 4.187 50 30 EIEARN C=CCn1c(SC(C)C)nc2scc(-c3ccco3)c2c1=O ZINC000008668920 564166268 /nfs/dbraw/zinc/16/62/68/564166268.db2.gz AXZYKCXQYABFBL-UHFFFAOYSA-N 0 0 332.450 4.405 50 30 EIEARN C=CCCO[C@@H](C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC000067799058 564166900 /nfs/dbraw/zinc/16/69/00/564166900.db2.gz GWBOSTLLYGECIN-CMPLNLGQSA-N 0 0 334.828 4.107 50 30 EIEARN C#CC[C@@H](OC(=O)c1sc(-c2ccccc2)nc1C)c1ccccn1 ZINC000068596624 564167648 /nfs/dbraw/zinc/16/76/48/564167648.db2.gz NGXCUGZTMMVXQJ-QGZVFWFLSA-N 0 0 348.427 4.435 50 30 EIEARN CCOc1ccc2c(c1)O/C(=C/c1cn(C)c3ccc(OC)cc13)C2=O ZINC000008993341 564168478 /nfs/dbraw/zinc/16/84/78/564168478.db2.gz VTNGQSWFEYDTDR-AWQFTUOYSA-N 0 0 349.386 4.202 50 30 EIEARN N#Cc1ccc(Nc2nc(Cl)c(Br)c(Cl)n2)cc1 ZINC000040435085 564169074 /nfs/dbraw/zinc/16/90/74/564169074.db2.gz IGZKXTGKGMPSTG-UHFFFAOYSA-N 0 0 343.999 4.161 50 30 in-vitro EIEARN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccco1 ZINC000069419461 564169375 /nfs/dbraw/zinc/16/93/75/564169375.db2.gz WVURJGFSIDQHLU-UHFFFAOYSA-N 0 0 332.359 4.291 50 30 EIEARN C[C@@H](C#N)Sc1nnc(Nc2cccc(Br)c2)s1 ZINC000009368944 564173080 /nfs/dbraw/zinc/17/30/80/564173080.db2.gz BBYFGRBWPGHGPS-ZETCQYMHSA-N 0 0 341.259 4.048 50 30 EIEARN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 ZINC000004842543 568416429 /nfs/dbraw/zinc/41/64/29/568416429.db2.gz SKIURGXESIFBMW-CQSZACIVSA-N 0 0 337.398 4.328 50 30 EIEARN COc1ccc(CN2C(=O)c3ccccc3[C@]3(C#N)CCCC[C@@H]23)cc1 ZINC001481528993 1025445688 /nfs/dbraw/zinc/44/56/88/1025445688.db2.gz QUXXSVUVHCWGBN-IFMALSPDSA-N 0 0 346.430 4.055 50 30 EIEARN COc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1-c1ccccc1 ZINC000051898258 1026445009 /nfs/dbraw/zinc/44/50/09/1026445009.db2.gz QDJLTGQIEZSAEQ-GOSISDBHSA-N 0 0 328.371 4.247 50 30 EIEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c([S@](C)=O)n2)cc1 ZINC000000074091 1027690874 /nfs/dbraw/zinc/69/08/74/1027690874.db2.gz IPWIMNYYYMAPFC-RUZDIDTESA-N 0 0 348.427 4.033 50 30 EIEARN Cc1ccc(NC(=O)N[C@H]2CC[C@H](Nc3ccccn3)CC2)s1 ZINC000329584864 1027864215 /nfs/dbraw/zinc/86/42/15/1027864215.db2.gz LZQSUTCMEOVHKG-HDJSIYSDSA-N 0 0 330.457 4.201 50 30 EIEARN O=[N+]([O-])c1cccc(-c2csc(N=NC[C@@H]3CC=CCC3)n2)c1 ZINC000254517774 1034423263 /nfs/dbraw/zinc/42/32/63/1034423263.db2.gz GJPORIPLTWWJBY-GFCCVEGCSA-N 0 0 328.397 4.472 50 30 EIEARN COc1ccc(NC(=S)NN=C(C)c2cc3ccccc3o2)cc1 ZINC000254912225 1036138274 /nfs/dbraw/zinc/13/82/74/1036138274.db2.gz RZNCTENUOIMSLZ-UHFFFAOYSA-N 0 0 339.420 4.152 50 30 EIEARN C[S@](=O)Cc1cc(NC/C=C/c2ccc(C#N)cc2)ccc1Cl ZINC000170594052 1036689806 /nfs/dbraw/zinc/68/98/06/1036689806.db2.gz RSKQDSWZZQANDC-XFBYCMBJSA-N 0 0 344.867 4.215 50 30 EIEARN Clc1cccc(Cl)c1CO/N=C/c1ccc(-n2cccn2)nc1 ZINC000006925649 1039874509 /nfs/dbraw/zinc/87/45/09/1039874509.db2.gz XBWRLNVWYJUQTN-UFFVCSGVSA-N 0 0 347.205 4.125 50 30 EIEARN COc1ccc(C(=O)/C=C\c2cc(Br)ccc2F)cc1 ZINC000096766620 1041612590 /nfs/dbraw/zinc/61/25/90/1041612590.db2.gz JWUJHLRWHATOAR-WTKPLQERSA-N 0 0 335.172 4.493 50 30 EIEARN CC(C)Cn1c(SCc2ccc(C#N)cc2)nc2ccccc2c1=O ZINC000003313573 1043214838 /nfs/dbraw/zinc/21/48/38/1043214838.db2.gz KBGHKYITNAEUQU-UHFFFAOYSA-N 0 0 349.459 4.216 50 30 EIEARN C=CCN([C@H]1CCc2ccccc21)S(=O)(=O)/C=C/c1ccccc1 ZINC000032916406 1046099461 /nfs/dbraw/zinc/09/94/61/1046099461.db2.gz OKDMKYWYCABLQM-VISDOYDDSA-N 0 0 339.460 4.163 50 30 EIEARN C#CCCC1(CCC(=O)N2CCC[C@@]2(C)Cc2ccccc2F)N=N1 ZINC000952879912 1049679560 /nfs/dbraw/zinc/67/95/60/1049679560.db2.gz HYNKWSKTWJXVTO-IBGZPJMESA-N 0 0 341.430 4.105 50 30 EIEARN C#CCCC1(CCC(=O)Nc2ccc(N3CCCC3)c(Cl)c2)N=N1 ZINC000952883430 1049681177 /nfs/dbraw/zinc/68/11/77/1049681177.db2.gz XBKSFNXRXYHFEZ-UHFFFAOYSA-N 0 0 344.846 4.234 50 30 EIEARN C=C(C)COc1ccccc1NC(=O)[C@H](c1ccccc1F)N(C)C ZINC000952961622 1049682022 /nfs/dbraw/zinc/68/20/22/1049682022.db2.gz ILBJPXPHVXNHFN-IBGZPJMESA-N 0 0 342.414 4.022 50 30 EIEARN COc1ccc(/C=C2/SC(=Nc3ccccc3)N(C)C2=O)c(C)c1 ZINC000252641499 1051197901 /nfs/dbraw/zinc/19/79/01/1051197901.db2.gz ZDMOMCPQPCQVAN-NETLLJLASA-N 0 0 338.432 4.237 50 30 EIEARN CN(CC(=O)/C=C1/N(C)c2ccccc2C1(C)C)Cc1cccs1 ZINC000102240427 1054624638 /nfs/dbraw/zinc/62/46/38/1054624638.db2.gz IXEGNKOGLRXMOB-XDHOZWIPSA-N 0 0 340.492 4.061 50 30 EIEARN C[C@H](NC(=O)c1cc(C#N)c2c3ccccc3ccn12)c1ccccc1 ZINC000004542400 210217388 /nfs/dbraw/zinc/21/73/88/210217388.db2.gz OWSWQDITHMJVEV-HNNXBMFYSA-N 0 0 339.398 4.455 50 30 EIEARN N#Cc1ccc(-c2csc(NC(=O)c3cc(F)cc(F)c3)n2)cc1 ZINC000007670424 201725445 /nfs/dbraw/zinc/72/54/45/201725445.db2.gz LIUVAWQAWZTDKJ-UHFFFAOYSA-N 0 0 341.342 4.212 50 30 EIEARN COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccccc1 ZINC000012406416 201845130 /nfs/dbraw/zinc/84/51/30/201845130.db2.gz PKSQFYHRKDWFNZ-SRHUDTFWSA-N 0 0 334.419 4.448 50 30 EIEARN C=CCOc1ccccc1/C=C1\C(=O)ON=C1c1ccc(Cl)cc1 ZINC000015134456 201951355 /nfs/dbraw/zinc/95/13/55/201951355.db2.gz OGQOBCBRBBLGTG-VBKFSLOCSA-N 0 0 339.778 4.249 50 30 EIEARN CCc1c(C)sc(NC(=O)c2cc(-c3cccs3)on2)c1C#N ZINC000002497897 209858128 /nfs/dbraw/zinc/85/81/28/209858128.db2.gz JTRIRMMFLALMBJ-UHFFFAOYSA-N 0 0 343.433 4.459 50 30 EIEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@H](c3ccc(F)cc3)[C@H]12 ZINC000019375098 202007754 /nfs/dbraw/zinc/00/77/54/202007754.db2.gz CMYNHMJHHPXPAW-ICSRJNTNSA-N 0 0 345.373 4.232 50 30 EIEARN COc1ccc(C(=NNc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000019880715 202025391 /nfs/dbraw/zinc/02/53/91/202025391.db2.gz UKJXYHMMCPXIBO-LSDHQDQOSA-N 0 0 347.374 4.468 50 30 EIEARN CCCc1nc(NCc2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000020790064 202055391 /nfs/dbraw/zinc/05/53/91/202055391.db2.gz DPMGOEXLQYRGLV-UHFFFAOYSA-N 0 0 335.451 4.369 50 30 EIEARN Cc1cc(C)c(C#N)c(NCc2cc(F)ccc2Br)n1 ZINC000037999194 202080170 /nfs/dbraw/zinc/08/01/70/202080170.db2.gz FUKMATUMRODVCH-UHFFFAOYSA-N 0 0 334.192 4.084 50 30 EIEARN CC(=O)c1cc(C#N)c(SCCCOc2cccc(C)c2)nc1C ZINC000023080905 202098134 /nfs/dbraw/zinc/09/81/34/202098134.db2.gz OFNAGQLEKSKKLA-UHFFFAOYSA-N 0 0 340.448 4.334 50 30 EIEARN CSc1nc(C2CC2)cc(C(=O)NC2CCCCCCC2)c1C#N ZINC000027065180 202151277 /nfs/dbraw/zinc/15/12/77/202151277.db2.gz FDXPJHVJHZYVCN-UHFFFAOYSA-N 0 0 343.496 4.395 50 30 EIEARN CCc1nc(C#N)c(N2CCC(c3nc4ccccc4s3)CC2)o1 ZINC000027562787 202157064 /nfs/dbraw/zinc/15/70/64/202157064.db2.gz ASSFKFFADOXDEG-UHFFFAOYSA-N 0 0 338.436 4.102 50 30 EIEARN CCCCOC(=O)CSc1nc(-c2ccccc2)ccc1C#N ZINC000033011275 202247749 /nfs/dbraw/zinc/24/77/49/202247749.db2.gz YPIXAUKQGMXKIM-UHFFFAOYSA-N 0 0 326.421 4.056 50 30 EIEARN O=C(/C=C\c1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000033408293 202260531 /nfs/dbraw/zinc/26/05/31/202260531.db2.gz CCMGNLFKTOHALE-WTKPLQERSA-N 0 0 327.811 4.073 50 30 EIEARN N#CC(=NNc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000033369048 202259069 /nfs/dbraw/zinc/25/90/69/202259069.db2.gz OHMIIMYVZZIGNW-STZFKDTASA-N 0 0 349.375 4.058 50 30 EIEARN CC(C)(O)C#Cc1ccc(-c2nccn2C2Cc3ccccc3C2)s1 ZINC000071752035 215809083 /nfs/dbraw/zinc/80/90/83/215809083.db2.gz MZOQGQQXHDLVMS-UHFFFAOYSA-N 0 0 348.471 4.074 50 30 EIEARN COc1cc(C(=O)/C=C\c2ccccc2Br)ccc1O ZINC000033474378 202262725 /nfs/dbraw/zinc/26/27/25/202262725.db2.gz KKMAEEWSSPZVKN-VURMDHGXSA-N 0 0 333.181 4.059 50 30 EIEARN O=C(/C=C\c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000033922153 202271164 /nfs/dbraw/zinc/27/11/64/202271164.db2.gz RLARMHBSPPBZRL-XQRVVYSFSA-N 0 0 345.192 4.116 50 30 EIEARN N#C[C@@]12CCCC[C@@H]1C[C@H]1CCCC[C@]1(C#N)N2Cc1cccnc1 ZINC000036003818 202312041 /nfs/dbraw/zinc/31/20/41/202312041.db2.gz CQUGUAYZDBOGML-NCYKPQTJSA-N 0 0 334.467 4.192 50 30 EIEARN C=CCn1c2c(c(=S)nc1-c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000000202443 209481228 /nfs/dbraw/zinc/48/12/28/209481228.db2.gz VDYJOHNWSHKKMY-UHFFFAOYSA-N 0 0 327.409 4.253 50 30 EIEARN CC1C=CC(C)(C)CC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])=C1 ZINC000014822335 201059692 /nfs/dbraw/zinc/05/96/92/201059692.db2.gz WDBNIWJVLZTZGX-SFQUDFHCSA-N 0 0 330.344 4.203 50 30 EIEARN COc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O ZINC000005215984 201361635 /nfs/dbraw/zinc/36/16/35/201361635.db2.gz DXEJNBHBCBFTJX-NVNXTCNLSA-N 0 0 331.165 4.074 50 30 biogenic EIEARN CCCCCCCC[C@@H](O)[C@H](O)CCCCCCCC(=O)OC ZINC000085603892 201369143 /nfs/dbraw/zinc/36/91/43/201369143.db2.gz RITHLQKJQSKUAO-QZTJIDSGSA-N 0 0 330.509 4.363 50 30 EIEARN O=C(/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(O)cc1 ZINC000096766235 201377646 /nfs/dbraw/zinc/37/76/46/201377646.db2.gz XFTXBHHMMXTQIV-LUAWRHEFSA-N 0 0 335.315 4.457 50 30 EIEARN COc1ccc2c(c1)CC/C(=C\c1csc(-c3ccccn3)n1)C2=O ZINC000097152179 201379182 /nfs/dbraw/zinc/37/91/82/201379182.db2.gz JBQFSYYZHLYHRO-GXDHUFHOSA-N 0 0 348.427 4.426 50 30 EIEARN CCOC(=O)c1ccccc1NC=CC(=O)c1ccc(OCC)cc1 ZINC000051318812 202639447 /nfs/dbraw/zinc/63/94/47/202639447.db2.gz YCBWCTGKVBKXBH-BUHFOSPRSA-N 0 0 339.391 4.071 50 30 EIEARN C=CCCC(=O)Nc1sc(Cc2ccccc2)cc1C(=O)OCC ZINC000022620727 212312482 /nfs/dbraw/zinc/31/24/82/212312482.db2.gz NGRZVFPBOWQHAW-UHFFFAOYSA-N 0 0 343.448 4.420 50 30 EIEARN O=C(O/N=C1\CCCc2oc3c(c21)CCCC3)c1ccc(F)cc1 ZINC000000211793 201449265 /nfs/dbraw/zinc/44/92/65/201449265.db2.gz CUNGRDFTXVJLDL-RCCKNPSSSA-N 0 0 327.355 4.195 50 30 EIEARN CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000000386561 201467636 /nfs/dbraw/zinc/46/76/36/201467636.db2.gz XHIVIPRODQKMOV-HXUWFJFHSA-N 0 0 349.430 4.197 50 30 EIEARN CC(C)=C1Oc2c(ccc3c2[C@@H](c2ccc(F)cc2)CC(=O)O3)C1=O ZINC000218178948 241303877 /nfs/dbraw/zinc/30/38/77/241303877.db2.gz DKEPXRWKCAMSJV-CQSZACIVSA-N 0 0 338.334 4.136 50 30 EIEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1Cl ZINC000000566916 201488170 /nfs/dbraw/zinc/48/81/70/201488170.db2.gz YFVRINFGYKJTBF-UHFFFAOYSA-N 0 0 332.812 4.023 50 30 EIEARN N#Cc1ccc(NC(=O)COc2ccc3oc4ccccc4c3c2)cc1 ZINC000002643116 201538410 /nfs/dbraw/zinc/53/84/10/201538410.db2.gz JZFDBLQKFVBHMK-UHFFFAOYSA-N 0 0 342.354 4.475 50 30 EIEARN Nc1ccc(C(=NNc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000004531733 201604688 /nfs/dbraw/zinc/60/46/88/201604688.db2.gz PWRAQGXVTPWCTG-ZBJSNUHESA-N 0 0 332.363 4.042 50 30 EIEARN Cc1nn(-c2ccc(F)cc2)c2c1cc(C#N)c1nc3ccccc3n12 ZINC000004013738 201586814 /nfs/dbraw/zinc/58/68/14/201586814.db2.gz HSPWJGKNKKDNIP-UHFFFAOYSA-N 0 0 341.349 4.146 50 30 EIEARN CCOCCCNc1c(CC)c(C)c(C#N)c2nc3ccccc3n21 ZINC000004095447 201589375 /nfs/dbraw/zinc/58/93/75/201589375.db2.gz CIMJIDMSZBBZGL-UHFFFAOYSA-N 0 0 336.439 4.069 50 30 EIEARN CCn1c(SCCC#N)nc2scc(-c3cccs3)c2c1=O ZINC000004801627 201618689 /nfs/dbraw/zinc/61/86/89/201618689.db2.gz ICFMKPDUTSEKDS-UHFFFAOYSA-N 0 0 347.490 4.212 50 30 EIEARN O=C1SC(SCc2ccccc2)=N/C1=C\c1ccc([N+](=O)[O-])o1 ZINC000004954035 201628839 /nfs/dbraw/zinc/62/88/39/201628839.db2.gz LOIIYEHISKSCQX-WQLSENKSSA-N 0 0 346.389 4.092 50 30 EIEARN CCCC(=CC(Cl)Cl)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004990088 201631135 /nfs/dbraw/zinc/63/11/35/201631135.db2.gz SXTCURAPYNKXFD-NVNXTCNLSA-N 0 0 347.158 4.390 50 30 EIEARN COc1ccc(CNc2oc(/C=C/c3ccccc3)nc2C#N)cc1 ZINC000005176190 201641363 /nfs/dbraw/zinc/64/13/63/201641363.db2.gz XZQPRZXTUAITLS-FMIVXFBMSA-N 0 0 331.375 4.337 50 30 EIEARN c1sc2ncnc(N=NCc3cccnc3)c2c1-c1ccccc1 ZINC000005520195 201653831 /nfs/dbraw/zinc/65/38/31/201653831.db2.gz CHHNOFQQLDAPIG-LSHDLFTRSA-N 0 0 331.404 4.199 50 30 EIEARN c1sc2ncnc(N=NCc3ccncc3)c2c1-c1ccccc1 ZINC000005576680 201656384 /nfs/dbraw/zinc/65/63/84/201656384.db2.gz LBXPTQPKYYSEBP-LSHDLFTRSA-N 0 0 331.404 4.199 50 30 EIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 ZINC000005687230 201659886 /nfs/dbraw/zinc/65/98/86/201659886.db2.gz RCBDXVKFXNBJFC-IBGZPJMESA-N 0 0 347.414 4.068 50 30 EIEARN Cc1ccc(-n2cnnc2SCc2ccc(C#N)cc2)cc1Cl ZINC000006104294 201673040 /nfs/dbraw/zinc/67/30/40/201673040.db2.gz GCSIFBNTDJLYIL-UHFFFAOYSA-N 0 0 340.839 4.393 50 30 EIEARN CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc2ccccc2c1 ZINC000006541145 201684313 /nfs/dbraw/zinc/68/43/13/201684313.db2.gz AWYFJLIILBWGHJ-UHFFFAOYSA-N 0 0 346.386 4.128 50 30 EIEARN Cc1c(N[C@H]2CCCOc3ccc(F)cc32)cc(C#N)cc1[N+](=O)[O-] ZINC000064916423 202820053 /nfs/dbraw/zinc/82/00/53/202820053.db2.gz JPDYLGXYOXUURA-HNNXBMFYSA-N 0 0 341.342 4.240 50 30 EIEARN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccncc1 ZINC000069442682 203001509 /nfs/dbraw/zinc/00/15/09/203001509.db2.gz VMNHPAMFFXAODE-UHFFFAOYSA-N 0 0 343.386 4.093 50 30 EIEARN N#Cc1cccc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c1 ZINC000069530784 203014467 /nfs/dbraw/zinc/01/44/67/203014467.db2.gz LRVRSIKYKFZQOC-UHFFFAOYSA-N 0 0 329.403 4.059 50 30 EIEARN N#CCCN(C(=O)c1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000069813469 203052978 /nfs/dbraw/zinc/05/29/78/203052978.db2.gz XPGKPSXCVMJPTR-UHFFFAOYSA-N 0 0 343.308 4.138 50 30 EIEARN N#Cc1c(N)nc(-c2cc(Cl)ccc2Cl)cc1[C@H]1CCOC1 ZINC000071745605 203105526 /nfs/dbraw/zinc/10/55/26/203105526.db2.gz UTIOMUNNUWKRJX-VIFPVBQESA-N 0 0 334.206 4.013 50 30 EIEARN Cc1csc(C(C#N)C(=O)C[C@@H](c2ccccc2)C(F)(F)F)n1 ZINC000071799764 203115499 /nfs/dbraw/zinc/11/54/99/203115499.db2.gz HIFKJAAKZDZYDR-STQMWFEESA-N 0 0 338.354 4.364 50 30 EIEARN COc1ccc(F)cc1C(=O)Nc1ccccc1SCCC#N ZINC000078568603 203422406 /nfs/dbraw/zinc/42/24/06/203422406.db2.gz GUYDQIUJWSGAOC-UHFFFAOYSA-N 0 0 330.384 4.092 50 30 EIEARN C[C@@H]1CCC[C@@H](CCC#N)C1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000103895837 204089478 /nfs/dbraw/zinc/08/94/78/204089478.db2.gz NPFNXRULYWTWIR-REDRLGJASA-N 0 0 345.359 4.011 50 30 EIEARN N#Cc1cccc(NC(=O)COc2ccc(Cl)c3ccccc23)c1 ZINC000015180870 211806502 /nfs/dbraw/zinc/80/65/02/211806502.db2.gz ICGKFDRYWSHQOP-UHFFFAOYSA-N 0 0 336.778 4.382 50 30 EIEARN C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000015011399 211788623 /nfs/dbraw/zinc/78/86/23/211788623.db2.gz NRYDVPWWLSZUMD-XNTDXEJSSA-N 0 0 345.420 4.473 50 30 EIEARN O=C1c2cccc(O)c2C/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000011336077 211211940 /nfs/dbraw/zinc/21/19/40/211211940.db2.gz YOKQAGKRJWHJKV-RAXLEYEMSA-N 0 0 347.326 4.383 50 30 EIEARN O=C(/C=C\c1ccsc1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000096129777 218616531 /nfs/dbraw/zinc/61/65/31/218616531.db2.gz KPSJOGQVDQTVMM-NTMALXAHSA-N 0 0 330.412 4.195 50 30 EIEARN C=CCNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000004047815 207108164 /nfs/dbraw/zinc/10/81/64/207108164.db2.gz GASTZCPNGDNQDL-UHFFFAOYSA-N 0 0 328.281 4.197 50 30 EIEARN C=CCNc1nc(C(=O)OCc2ccc(Cl)cc2Cl)cs1 ZINC000005040301 210371868 /nfs/dbraw/zinc/37/18/68/210371868.db2.gz ONJXKAXYVKQNBK-UHFFFAOYSA-N 0 0 343.235 4.405 50 30 EIEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(C)c(C)c1 ZINC000006729255 258044392 /nfs/dbraw/zinc/04/43/92/258044392.db2.gz JHRQWEWUVJEBEN-UHFFFAOYSA-N 0 0 347.418 4.182 50 30 EIEARN CC(=O)Nc1ccc([NH+]=C([O-])Nc2cc3c(cc2Cl)OCO3)cc1 ZINC000330032903 258002573 /nfs/dbraw/zinc/00/25/73/258002573.db2.gz UHHSKLOCWHXPOC-UHFFFAOYSA-N 0 0 347.758 4.334 50 30 EIEARN C#C[C@]1(O)CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@]2(C)C1 ZINC000253617473 258015109 /nfs/dbraw/zinc/01/51/09/258015109.db2.gz OIDVIXDTUUEECQ-GBVSWGERSA-N 0 0 328.496 4.353 50 30 EIEARN C#CCn1c2ccccc2nc1SCCOc1ccc(C)cc1C ZINC000012062358 258018088 /nfs/dbraw/zinc/01/80/88/258018088.db2.gz VEWFSJBEOHBHRQ-UHFFFAOYSA-N 0 0 336.460 4.457 50 30 EIEARN N#CCCCCCCC(=O)c1ccccc1I ZINC000002392837 258049570 /nfs/dbraw/zinc/04/95/70/258049570.db2.gz MTELNBIDELQDJK-UHFFFAOYSA-N 0 0 341.192 4.338 50 30 EIEARN COc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1OCC(C)C ZINC000006649261 258052171 /nfs/dbraw/zinc/05/21/71/258052171.db2.gz MXTXJRPFPIBEBI-ONNFQVAWSA-N 0 0 326.392 4.332 50 30 EIEARN COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC#N ZINC000006627478 258052340 /nfs/dbraw/zinc/05/23/40/258052340.db2.gz OJKIQYABFPWAAR-FNORWQNLSA-N 0 0 327.767 4.147 50 30 EIEARN N#CC1(NC(=O)CNc2ccccc2Oc2ccccc2)CCCCC1 ZINC000009314804 258053835 /nfs/dbraw/zinc/05/38/35/258053835.db2.gz QFXSXNOBUNMCMT-UHFFFAOYSA-N 0 0 349.434 4.233 50 30 EIEARN N#C[C@@]1(c2nc3ccccc3[nH]2)Cc2c(F)cccc2N2CCCC[C@@H]21 ZINC000006315925 135674229 /nfs/dbraw/zinc/67/42/29/135674229.db2.gz JRVYXULFWFUGEN-CTNGQTDRSA-N 0 0 346.409 4.079 50 30 EIEARN Cc1cc(N=NC(C)c2ccccc2)nc(NCc2ccccc2)n1 ZINC000004859751 518464868 /nfs/dbraw/zinc/46/48/68/518464868.db2.gz LIYRRXYPSGTIIB-LFVJCYFKSA-N 0 0 331.423 4.233 50 30 EIEARN C=C(C)c1cccc(C(C)(C)NC(=O)NCc2ccc(OC)cc2)c1 ZINC000000205628 518647445 /nfs/dbraw/zinc/64/74/45/518647445.db2.gz MOUCHMIMVZAXBS-UHFFFAOYSA-N 0 0 338.451 4.463 50 30 EIEARN C=CCCOc1cccc(NC(=O)c2ccncc2C(F)(F)F)c1 ZINC000225744505 518710961 /nfs/dbraw/zinc/71/09/61/518710961.db2.gz DSBVBBOQOUHYNG-UHFFFAOYSA-N 0 0 336.313 4.308 50 30 EIEARN C=CCN(CC=C)C(=O)c1ccccc1NC(=O)c1ccccc1C ZINC000000233407 518768716 /nfs/dbraw/zinc/76/87/16/518768716.db2.gz XTHXZTWHKRYFCV-UHFFFAOYSA-N 0 0 334.419 4.446 50 30 EIEARN CC(C)(C)c1ccc(C(=O)ONC(=N)CSc2cccs2)cc1 ZINC000004344884 519023471 /nfs/dbraw/zinc/02/34/71/519023471.db2.gz RWVLQJHPQWGDTC-UHFFFAOYSA-N 0 0 348.493 4.267 50 30 EIEARN C=CCOc1ccc(C(=O)N(Cc2ccc(C)o2)c2ccccn2)cc1 ZINC000021524386 519024301 /nfs/dbraw/zinc/02/43/01/519024301.db2.gz TTWQPWTYWGJVMS-UHFFFAOYSA-N 0 0 348.402 4.395 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563214082 /nfs/dbraw/zinc/21/40/82/563214082.db2.gz RDAASMLYRFLVPO-CXUHLZMHSA-N 0 0 325.124 4.181 50 30 EIEARN Cc1ccc(N2CCN(/N=C/c3ccccc3C(F)(F)F)CC2)cc1 ZINC000000136711 563240767 /nfs/dbraw/zinc/24/07/67/563240767.db2.gz CVPQHGUWZRDLKL-OEAKJJBVSA-N 0 0 347.384 4.170 50 30 EIEARN CSc1nnc(SC2=CC(=O)C[C@H](c3ccccc3)C2)s1 ZINC000000142736 563242891 /nfs/dbraw/zinc/24/28/91/563242891.db2.gz WDLAIVBTFNPRAO-NSHDSACASA-N 0 0 334.491 4.383 50 30 EIEARN COc1ccc(C2CC(=O)C(=CNc3ccc(C)cc3)C(=O)C2)cc1 ZINC000000448552 563318458 /nfs/dbraw/zinc/31/84/58/563318458.db2.gz JORZYUNPAVMQJK-UHFFFAOYSA-N 0 0 335.403 4.015 50 30 EIEARN Clc1ccc(COc2cccc(/C=N/n3cnnc3)c2)c(Cl)c1 ZINC000000450694 563319771 /nfs/dbraw/zinc/31/97/71/563319771.db2.gz XOZSTCHVJNBOMF-ODCIPOBUSA-N 0 0 347.205 4.046 50 30 EIEARN N#CC1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CCCC1 ZINC000000468002 563329452 /nfs/dbraw/zinc/32/94/52/563329452.db2.gz XWJYOLJQNYJJMN-UHFFFAOYSA-N 0 0 335.363 4.182 50 30 EIEARN N#CC1(C#N)[C@@H](C(=O)c2ccc(Br)cc2)C12CCCCC2 ZINC000000499512 563339073 /nfs/dbraw/zinc/33/90/73/563339073.db2.gz UJFMAPCCRFXTHX-HNNXBMFYSA-N 0 0 343.224 4.246 50 30 EIEARN CC1(C)OC(C)(C)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000001428924 563388866 /nfs/dbraw/zinc/38/88/66/563388866.db2.gz LCWULKBZQBRMGO-RVDMUPIBSA-N 0 0 341.363 4.395 50 30 EIEARN COc1ccc(CC=CN=NC2=NC(C)(C)Cc3ccccc32)cc1 ZINC000001754844 563409907 /nfs/dbraw/zinc/40/99/07/563409907.db2.gz MXOGUZOOEYUPHV-WVBMQZLASA-N 0 0 333.435 4.065 50 30 EIEARN CC(=O)C(=NNc1ccc(Cl)cc1)N1CCCc2ccccc21 ZINC000002204469 563426992 /nfs/dbraw/zinc/42/69/92/563426992.db2.gz CLACCNIMDDXYSB-UZYVYHOESA-N 0 0 327.815 4.107 50 30 EIEARN CC(C)C(=O)Nc1c(C#N)sc(SCC#N)c1-c1ccccc1 ZINC000004014219 563492132 /nfs/dbraw/zinc/49/21/32/563492132.db2.gz FZEUJNCLNLJMBP-UHFFFAOYSA-N 0 0 341.461 4.497 50 30 EIEARN COc1cc([N+](=O)[O-])ccc1NC=CC(=O)c1ccc(Cl)cc1 ZINC000004107125 563494842 /nfs/dbraw/zinc/49/48/42/563494842.db2.gz 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/nfs/dbraw/zinc/64/96/91/563649691.db2.gz VHLJHKPMSGHWSS-UHFFFAOYSA-N 0 0 327.796 4.382 50 30 EIEARN COC(=O)CCN1CCCc2cc(/N=N/c3ccc(C#N)cc3)ccc21 ZINC000004344371 563662304 /nfs/dbraw/zinc/66/23/04/563662304.db2.gz ARWHEXPWISTRHM-GHVJWSGMSA-N 0 0 348.406 4.289 50 30 EIEARN Cc1ccc(/N=C2/c3ccccc3N(CN3CCCCC3)C2=O)cc1C ZINC000013574061 563702591 /nfs/dbraw/zinc/70/25/91/563702591.db2.gz QSKHOCJEPDHSIP-LNVKXUELSA-N 0 0 347.462 4.214 50 30 EIEARN Cc1cccc(C)c1/N=C1\S/C(=C/c2cccc(O)c2)C(=O)N1C ZINC000017155003 563838831 /nfs/dbraw/zinc/83/88/31/563838831.db2.gz LHSWYVATZJAMMB-DOXJHMMXSA-N 0 0 338.432 4.243 50 30 EIEARN COc1ccc([C@@H]2Nc3ncccc3N=C3CC(C)(C)CC(=O)C32)cc1 ZINC000018244348 563851682 /nfs/dbraw/zinc/85/16/82/563851682.db2.gz MWULTKCYKSMLOV-IBGZPJMESA-N 0 0 349.434 4.312 50 30 EIEARN COc1ccc(-c2csc(C(C#N)C(=O)C[C@H]3C=CCC3)n2)cc1 ZINC000058305121 563942109 /nfs/dbraw/zinc/94/21/09/563942109.db2.gz NXNBRXXYEAJERZ-BBRMVZONSA-N 0 0 338.432 4.351 50 30 EIEARN C[C@H](Sc1ccccn1)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000096793736 563962422 /nfs/dbraw/zinc/96/24/22/563962422.db2.gz ZMMMJBDXLJPZME-RVAQLADHSA-N 0 0 338.476 4.443 50 30 EIEARN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCC[C@@H](C#N)C1 ZINC000067843392 563962862 /nfs/dbraw/zinc/96/28/62/563962862.db2.gz CEJPRZBKEJHBBW-ZDUSSCGKSA-N 0 0 349.356 4.404 50 30 EIEARN N#Cc1ccc(C(F)(F)F)c(N[C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000097163622 563968466 /nfs/dbraw/zinc/96/84/66/563968466.db2.gz ADDQOFRHSOAIRW-IUODEOHRSA-N 0 0 342.386 4.044 50 30 EIEARN Cc1cc(Oc2cc(C#N)c(C#N)cc2[N+](=O)[O-])cc(C)c1Cl ZINC000000082313 563974870 /nfs/dbraw/zinc/97/48/70/563974870.db2.gz OKSOFBGJIOFMKN-UHFFFAOYSA-N 0 0 327.727 4.401 50 30 EIEARN CCCCCCCCNc1c2ccccc2[nH]c(=O)c1C(=O)OCC ZINC000100086655 563982215 /nfs/dbraw/zinc/98/22/15/563982215.db2.gz VOVSJENQGGRATP-UHFFFAOYSA-N 0 0 344.455 4.477 50 30 EIEARN O=C1CC[C@H](c2ccccc2)C(=O)C1=CNc1ccccc1Cl ZINC000100217382 563982419 /nfs/dbraw/zinc/98/24/19/563982419.db2.gz XMXLVMKZNZJJPU-QAALXFNPSA-N 0 0 325.795 4.352 50 30 EIEARN CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/O)cc1 ZINC000000176775 563987704 /nfs/dbraw/zinc/98/77/04/563987704.db2.gz OUQJHMZCHIHYGZ-CIAFOILYSA-N 0 0 335.407 4.382 50 30 EIEARN CCc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000011689821 563987749 /nfs/dbraw/zinc/98/77/49/563987749.db2.gz ZFVOXOVHHGFYKH-MDZDMXLPSA-N 0 0 326.421 4.306 50 30 EIEARN N#Cc1ccc(-c2csc(NC(=O)/C=C/c3ccccc3)n2)cc1 ZINC000000193666 563988218 /nfs/dbraw/zinc/98/82/18/563988218.db2.gz PMMJTLMQROGMKE-DHZHZOJOSA-N 0 0 331.400 4.334 50 30 EIEARN CCOc1ccc2c(c1)C(=O)/C(=C\NCc1ccc(OC)cc1)S2 ZINC000100233015 563990201 /nfs/dbraw/zinc/99/02/01/563990201.db2.gz AEWKVJHAXADSTG-LDADJPATSA-N 0 0 341.432 4.014 50 30 EIEARN Cn1nc(C(F)(F)F)c(/C=N/[O-])c1SCc1ccccc1Cl ZINC000100271495 563992076 /nfs/dbraw/zinc/99/20/76/563992076.db2.gz HWIUCKJBBBFNGG-NGYBGAFCSA-N 0 0 349.765 4.193 50 30 EIEARN COc1ccccc1CN=Nc1ncnc2sc3c(c21)CCCC3 ZINC000004949058 563993166 /nfs/dbraw/zinc/99/31/66/563993166.db2.gz LNPSRFXXZUNRRF-UFFVCSGVSA-N 0 0 338.436 4.025 50 30 EIEARN S=C(NN=C1CCC(c2ccccc2)CC1)NC1CCCCC1 ZINC000004964423 563993450 /nfs/dbraw/zinc/99/34/50/563993450.db2.gz MRDGQWODMURPJN-UHFFFAOYSA-N 0 0 329.513 4.497 50 30 EIEARN CCCCc1ccc(-n2nnnc2SCc2ccc(C#N)cc2)cc1 ZINC000005015573 563993795 /nfs/dbraw/zinc/99/37/95/563993795.db2.gz DGESZJDDUUIKCF-UHFFFAOYSA-N 0 0 349.463 4.169 50 30 EIEARN Cc1csc(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 ZINC000005101400 563994340 /nfs/dbraw/zinc/99/43/40/563994340.db2.gz QTZDMVWLHASMSA-UHFFFAOYSA-N 0 0 345.493 4.107 50 30 EIEARN N#CCc1ccc(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)cc1 ZINC000270334686 563998554 /nfs/dbraw/zinc/99/85/54/563998554.db2.gz YRWCMMDLPPJTOU-UHFFFAOYSA-N 0 0 340.373 4.051 50 30 EIEARN CCOc1ccc(C=NNc2nc3ccccc3s2)cc1OC ZINC000005201122 564000553 /nfs/dbraw/zinc/00/05/53/564000553.db2.gz ZYEBEMHRECHBNH-WOJGMQOQSA-N 0 0 327.409 4.150 50 30 EIEARN C=CCn1c(SC/C=C/c2ccccc2)nnc1-c1ccncc1 ZINC000005500103 564004771 /nfs/dbraw/zinc/00/47/71/564004771.db2.gz LWFHZFRYJLDPMO-RMKNXTFCSA-N 0 0 334.448 4.332 50 30 EIEARN N#CCCSc1ccccc1NC(=O)c1noc2c1CCCCC2 ZINC000153123690 564006603 /nfs/dbraw/zinc/00/66/03/564006603.db2.gz YUIODKNBKZFBBM-UHFFFAOYSA-N 0 0 341.436 4.202 50 30 EIEARN CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1O ZINC000008477796 564016227 /nfs/dbraw/zinc/01/62/27/564016227.db2.gz CWJHACNHOHNTBH-RUDMXATFSA-N 0 0 332.783 4.349 50 30 EIEARN O/N=C/c1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3 ZINC000100914595 564017057 /nfs/dbraw/zinc/01/70/57/564017057.db2.gz WRJCZVRIWCMUJK-GIJQJNRQSA-N 0 0 331.828 4.403 50 30 EIEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(F)cc3)S2)cc1C ZINC000018144485 564018405 /nfs/dbraw/zinc/01/84/05/564018405.db2.gz UKTZFFZBUXJNJZ-YBEGLDIGSA-N 0 0 326.396 4.334 50 30 EIEARN O=C1CCCC2=C1[C@@H](c1ccccc1F)c1cc3c(cc1N2)OCO3 ZINC000018196726 564018713 /nfs/dbraw/zinc/01/87/13/564018713.db2.gz OEUAYZSLUKLPKD-IBGZPJMESA-N 0 0 337.350 4.119 50 30 EIEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccco1)C1=C(CCCC1=O)N2 ZINC000018200961 564018751 /nfs/dbraw/zinc/01/87/51/564018751.db2.gz ZESOLODHQHJXML-HXUWFJFHSA-N 0 0 345.402 4.338 50 30 EIEARN COc1cc2c(c(OC)c1)[C@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000018200444 564018767 /nfs/dbraw/zinc/01/87/67/564018767.db2.gz TWLKMQGTTNSGSC-LJQANCHMSA-N 0 0 335.403 4.268 50 30 EIEARN O=C1C(=NNc2ccccc2)c2ccccc2N1Cc1ccccc1 ZINC000018212998 564018869 /nfs/dbraw/zinc/01/88/69/564018869.db2.gz YLXUVGKGKQFQAT-BSYVCWPDSA-N 0 0 327.387 4.050 50 30 EIEARN COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000000514058 564020440 /nfs/dbraw/zinc/02/04/40/564020440.db2.gz RHMMNNNZETYGLS-UHFFFAOYSA-N 0 0 346.839 4.413 50 30 EIEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000000523982 564021184 /nfs/dbraw/zinc/02/11/84/564021184.db2.gz OMOLIKRSTNIWAR-MRXNPFEDSA-N 0 0 331.419 4.051 50 30 EIEARN CN(Cc1cn2ccccc2c1C#N)Cc1c(F)cccc1Cl ZINC000014808244 564023960 /nfs/dbraw/zinc/02/39/60/564023960.db2.gz OKGWNICNUOIEGE-UHFFFAOYSA-N 0 0 327.790 4.235 50 30 EIEARN CCCCOc1ccc(C(=O)C=CNc2ccc3c(c2)OCO3)cc1 ZINC000051318531 564024470 /nfs/dbraw/zinc/02/44/70/564024470.db2.gz PWCWVGHZXNKNAY-ZHACJKMWSA-N 0 0 339.391 4.403 50 30 EIEARN C=CCOc1ccccc1/C=C1/C(=O)ON=C1c1ccc(Cl)cc1 ZINC000002935587 564026034 /nfs/dbraw/zinc/02/60/34/564026034.db2.gz OGQOBCBRBBLGTG-FOWTUZBSSA-N 0 0 339.778 4.249 50 30 EIEARN COc1ccc(C(=O)/C=C/c2cc(Cl)c(O)c(OC)c2)cc1F ZINC000007336148 564034331 /nfs/dbraw/zinc/03/43/31/564034331.db2.gz ARFKAMRUTWKRDH-HWKANZROSA-N 0 0 336.746 4.098 50 30 EIEARN Cc1ccc(C=CC(=O)C2=CN(C)C(=O)N[C@@H]2c2ccc(C)cc2)cc1 ZINC000012390579 564050017 /nfs/dbraw/zinc/05/00/17/564050017.db2.gz VIVPOAWWWGVMFO-QYFOZDBKSA-N 0 0 346.430 4.166 50 30 EIEARN C[C@@H](C(=O)NC1CCCC1)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000082094250 564056219 /nfs/dbraw/zinc/05/62/19/564056219.db2.gz TYIBTRVUYRMDPT-LBPRGKRZSA-N 0 0 328.378 4.425 50 30 EIEARN Cc1c2cc3c(cc2nc2c1C[C@@](C#N)(c1ccccc1)CC2)OCO3 ZINC000012547109 564058958 /nfs/dbraw/zinc/05/89/58/564058958.db2.gz YFDQNXHMBVIQTQ-QFIPXVFZSA-N 0 0 342.398 4.222 50 30 EIEARN N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCCCC2 ZINC000003305527 564059152 /nfs/dbraw/zinc/05/91/52/564059152.db2.gz BRKVABXMTLKOCV-UHFFFAOYSA-N 0 0 347.421 4.111 50 30 EIEARN N#Cc1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1 ZINC000012625249 564061125 /nfs/dbraw/zinc/06/11/25/564061125.db2.gz CFRWUDDQRDUZFQ-UHFFFAOYSA-N 0 0 346.361 4.420 50 30 EIEARN CCCCOc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OC ZINC000002774003 564065728 /nfs/dbraw/zinc/06/57/28/564065728.db2.gz SFQOCOYPBBIBFZ-UHFFFAOYSA-N 0 0 336.387 4.337 50 30 EIEARN CCOC(=O)c1ccc(C#N)c(S[C@H]2CCCc3ccccc32)n1 ZINC000084798523 564070290 /nfs/dbraw/zinc/07/02/90/564070290.db2.gz IKHZZJZIRKQFID-KRWDZBQOSA-N 0 0 338.432 4.300 50 30 EIEARN Cc1ccc(OCc2nc(C(=O)Nc3ccc(C#N)cc3)cs2)cc1 ZINC000012812546 564072908 /nfs/dbraw/zinc/07/29/08/564072908.db2.gz CZCAOWANZAREOB-UHFFFAOYSA-N 0 0 349.415 4.155 50 30 EIEARN C=C(C)CSc1nc2sc3c(c2c(N)n1)C[C@@H](C(C)C)OC3 ZINC000000477683 564074560 /nfs/dbraw/zinc/07/45/60/564074560.db2.gz HFRIZPDOPNFMQZ-NSHDSACASA-N 0 0 335.498 4.039 50 30 EIEARN C=CCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000001197764 564074661 /nfs/dbraw/zinc/07/46/61/564074661.db2.gz MTKQSZBQFVLMLL-XFFZJAGNSA-N 0 0 330.261 4.381 50 30 EIEARN O=S(=O)(Cc1ccccc1)Nc1ccc(C#Cc2ccccc2)cc1 ZINC000001384312 564074662 /nfs/dbraw/zinc/07/46/62/564074662.db2.gz AEYMOWHNKPNQAA-UHFFFAOYSA-N 0 0 347.439 4.028 50 30 EIEARN C=CCNc1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23 ZINC000002023563 564074787 /nfs/dbraw/zinc/07/47/87/564074787.db2.gz OHZVMPGIBLYCGP-UHFFFAOYSA-N 0 0 325.371 4.190 50 30 EIEARN C=C(C)Cn1c(SCCCC)nc2sc3c(c2c1=O)CCC3 ZINC000002183023 564074797 /nfs/dbraw/zinc/07/47/97/564074797.db2.gz MCLSPXGXKURZRL-UHFFFAOYSA-N 0 0 334.510 4.415 50 30 EIEARN Clc1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000244858653 564075070 /nfs/dbraw/zinc/07/50/70/564075070.db2.gz VPLQVVWFZJGKDT-UHFFFAOYSA-N 0 0 348.277 4.145 50 30 EIEARN O=[N+]([O-])c1ccc(N=NCc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000032287274 564076120 /nfs/dbraw/zinc/07/61/20/564076120.db2.gz MXCOSEWNVNDHAN-WQRHYEAKSA-N 0 0 336.307 4.102 50 30 EIEARN C=C[C@]1(C)C[C@@H](OC)[C@]2(C)[C@H]3C(=O)CC[C@]3(CC[C@H]2C)[C@@H](C)C1=O ZINC000257359240 564076546 /nfs/dbraw/zinc/07/65/46/564076546.db2.gz ZESCDQYMVQFZRC-IJVRAULUSA-N 0 0 332.484 4.204 50 30 EIEARN C#CCSc1cccc(C(=O)Nc2cccc(-c3nccn3C)c2)c1 ZINC000087143515 564077305 /nfs/dbraw/zinc/07/73/05/564077305.db2.gz GYQFEGVDMNKRGK-UHFFFAOYSA-N 0 0 347.443 4.065 50 30 EIEARN C=CCSc1ccccc1NC(=O)c1ccc(NC(C)=O)cc1 ZINC000025733966 564078979 /nfs/dbraw/zinc/07/89/79/564078979.db2.gz WMANXXIERJMQRP-UHFFFAOYSA-N 0 0 326.421 4.175 50 30 EIEARN N#C[C@H](C(=O)Cc1cccc2ccccc21)c1nc2ccccc2[nH]1 ZINC000012933355 564079077 /nfs/dbraw/zinc/07/90/77/564079077.db2.gz GLSDBQUKWXDBSJ-QGZVFWFLSA-N 0 0 325.371 4.135 50 30 EIEARN C=CCn1c(C)nnc1SCC(=O)c1ccc(Cl)cc1Cl ZINC000032579356 564079355 /nfs/dbraw/zinc/07/93/55/564079355.db2.gz NPAQOLWJAQDYQF-UHFFFAOYSA-N 0 0 342.251 4.054 50 30 EIEARN Cc1ccc(/N=C2/c3ccccc3N(CN3CCCCC3)C2=O)c(C)c1 ZINC000016284693 564081325 /nfs/dbraw/zinc/08/13/25/564081325.db2.gz KGBMTCWYVLHSAL-LNVKXUELSA-N 0 0 347.462 4.214 50 30 EIEARN C=CCn1c2ccccc2nc1SCc1cn2ccsc2n1 ZINC000064308144 564087503 /nfs/dbraw/zinc/08/75/03/564087503.db2.gz PDNRUMRECVAVNE-UHFFFAOYSA-N 0 0 326.450 4.224 50 30 EIEARN C[C@@H]1CCc2c(sc3nc(SCC#N)nc(SCC#N)c32)C1 ZINC000006510562 564091233 /nfs/dbraw/zinc/09/12/33/564091233.db2.gz MOLAMZHLACJVGL-SECBINFHSA-N 0 0 346.506 4.047 50 30 EIEARN N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccsc1 ZINC000130462413 564093397 /nfs/dbraw/zinc/09/33/97/564093397.db2.gz IOKCPDJETRBWPB-GFCCVEGCSA-N 0 0 339.203 4.016 50 30 EIEARN C=CCOc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(C)ccc2O3)cc1 ZINC000006748561 564097087 /nfs/dbraw/zinc/09/70/87/564097087.db2.gz ADSMRPMXBDNOAR-UHFFFAOYSA-N 0 0 346.386 4.419 50 30 EIEARN N#Cc1cnn2c1nc(C13CC4CC(CC(C4)C1)C3)cc2C(F)F ZINC000006828541 564098968 /nfs/dbraw/zinc/09/89/68/564098968.db2.gz ONDGREQHNFRIST-UHFFFAOYSA-N 0 0 328.366 4.006 50 30 EIEARN Cc1cc(C(=O)NC2CCCC2)ccc1NCc1ccccc1C#N ZINC000065277205 564104061 /nfs/dbraw/zinc/10/40/61/564104061.db2.gz PEYHLXWYZUVKMR-UHFFFAOYSA-N 0 0 333.435 4.151 50 30 EIEARN CCc1nc(CC(=O)Nc2ccccc2SC[C@H](C)C#N)cs1 ZINC000065453606 564106062 /nfs/dbraw/zinc/10/60/62/564106062.db2.gz OPFHDPZMZJKUGQ-GFCCVEGCSA-N 0 0 345.493 4.138 50 30 EIEARN CCN(C(=O)[C@@H]1CCCc2cccnc21)c1ccc(C#N)c(Cl)c1 ZINC000239367126 564106624 /nfs/dbraw/zinc/10/66/24/564106624.db2.gz AHPVWZSRAVVKHT-MRXNPFEDSA-N 0 0 339.826 4.080 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1cccc(C)c1 ZINC000170615353 564109981 /nfs/dbraw/zinc/10/99/81/564109981.db2.gz AVQOWIWIYUYZPH-HKUYNNGSSA-N 0 0 340.444 4.376 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(F)c2)C[C@@H]1c1cccs1 ZINC000170620013 564110151 /nfs/dbraw/zinc/11/01/51/564110151.db2.gz KFKHXWOPDPTCRT-QAPCUYQASA-N 0 0 344.407 4.207 50 30 EIEARN [N-]=[N+]=Nc1cc2c(c(N=[N+]=[N-])c1)C(=O)N(c1ccccc1)[S@]2=O ZINC000250842409 564112133 /nfs/dbraw/zinc/11/21/33/564112133.db2.gz GCUSKPJMBQBJAN-HSZRJFAPSA-N 0 0 325.313 4.253 50 30 EIEARN Cn1ccnc1-c1cccc(NCc2cccc(OCCCC#N)c2)c1 ZINC000089761495 564113586 /nfs/dbraw/zinc/11/35/86/564113586.db2.gz TZLHPRFSUZOBFE-UHFFFAOYSA-N 0 0 346.434 4.382 50 30 EIEARN Cc1ccc(NC(=S)NN=Cc2c(O)ccc3ccccc32)cc1 ZINC000252463054 564118791 /nfs/dbraw/zinc/11/87/91/564118791.db2.gz YLYDDJUPJXGJTP-UHFFFAOYSA-N 0 0 335.432 4.174 50 30 EIEARN N#Cc1ccc(COC(=O)c2ccccc2-c2ccccc2C#N)cc1 ZINC000007598552 564118926 /nfs/dbraw/zinc/11/89/26/564118926.db2.gz HEOPFQLGGWGXLU-UHFFFAOYSA-N 0 0 338.366 4.454 50 30 EIEARN Cc1cc(Br)ccc1N(C)C(=O)c1cccc(CC#N)c1 ZINC000194450525 564120560 /nfs/dbraw/zinc/12/05/60/564120560.db2.gz XEZQSBANLOOCQC-UHFFFAOYSA-N 0 0 343.224 4.100 50 30 EIEARN CC[C@@H]1SC(=NN=Cc2c3ccccc3cc3ccccc32)NC1=O ZINC000252589076 564120850 /nfs/dbraw/zinc/12/08/50/564120850.db2.gz AGUYRBQUTLKJCE-SFHVURJKSA-N 0 0 347.443 4.325 50 30 EIEARN CN(C)c1ccc(CN=Nc2nc(-c3ccc(O)cc3)cs2)cc1 ZINC000252593496 564121056 /nfs/dbraw/zinc/12/10/56/564121056.db2.gz BKHNHCGYJQXMIA-UHFFFAOYSA-N 0 0 338.436 4.028 50 30 EIEARN CCOc1ccccc1/C=C1/SC(=Nc2ccccc2)N(C)C1=O ZINC000252594832 564121107 /nfs/dbraw/zinc/12/11/07/564121107.db2.gz BVFFZLFHPGHFSM-WSRIWQLKSA-N 0 0 338.432 4.319 50 30 EIEARN Cc1ccc(NC(=O)ON=Cc2ccc(Br)cc2)cc1 ZINC000252613917 564121965 /nfs/dbraw/zinc/12/19/65/564121965.db2.gz JEOONNDBWXYJSK-UHFFFAOYSA-N 0 0 333.185 4.340 50 30 EIEARN CN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=Nc1ccccc1 ZINC000252617685 564122141 /nfs/dbraw/zinc/12/21/41/564122141.db2.gz KYIDOSWAMZZMBZ-XADZQOGUSA-N 0 0 333.416 4.402 50 30 EIEARN CCCCn1c2ccccc2nc1N=Cc1nc2ccccc2n1C ZINC000252617342 564122156 /nfs/dbraw/zinc/12/21/56/564122156.db2.gz KQVJOPLQVSXFJJ-UHFFFAOYSA-N 0 0 331.423 4.474 50 30 EIEARN O=C(CON=Cc1ccccc1)N(Cc1ccccc1)c1ccccc1 ZINC000252618602 564122244 /nfs/dbraw/zinc/12/22/44/564122244.db2.gz LIHKNWHJIGQVST-UHFFFAOYSA-N 0 0 344.414 4.271 50 30 EIEARN COc1ccc(C(C)N=Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000252623172 564122948 /nfs/dbraw/zinc/12/29/48/564122948.db2.gz OLOFGEANNOXWAJ-UHFFFAOYSA-N 0 0 341.411 4.216 50 30 EIEARN Cc1csc(N(C(=O)COc2ccccc2C#N)c2ccccc2)n1 ZINC000007778889 564123094 /nfs/dbraw/zinc/12/30/94/564123094.db2.gz YINPLPWPBHVTJK-UHFFFAOYSA-N 0 0 349.415 4.067 50 30 EIEARN CN1C(=O)/C(=C/c2cccc(O)c2)SC1=Nc1ccc(Cl)cc1 ZINC000252624514 564123191 /nfs/dbraw/zinc/12/31/91/564123191.db2.gz PPHDTZRKPJWVKM-QFULKBQASA-N 0 0 344.823 4.279 50 30 EIEARN CCOC(=O)c1ccccc1NC=CC(=O)c1ccc(OC)cc1 ZINC000252630215 564123558 /nfs/dbraw/zinc/12/35/58/564123558.db2.gz UXHKXKMTEJNAFU-IEDONRECSA-N 0 0 325.364 4.173 50 30 EIEARN C=C[C@]1(C)C[C@H](OC)[C@]2(C)[C@H]3C(=O)CC[C@]3(CC[C@H]2C)[C@@H](C)C1=O ZINC000252641553 564124764 /nfs/dbraw/zinc/12/47/64/564124764.db2.gz ZESCDQYMVQFZRC-ZZHAWMCESA-N 0 0 332.484 4.204 50 30 EIEARN N#Cc1cccc(NC(=O)c2ccccc2SC[C@H]2CCCO2)c1 ZINC000007921101 564125518 /nfs/dbraw/zinc/12/55/18/564125518.db2.gz SKDWKWMXYHZUOP-MRXNPFEDSA-N 0 0 338.432 4.082 50 30 EIEARN CCC[C@H]1c2ccc3ccccc3c2Oc2nc(N)c(C#N)c(N)c21 ZINC000253470742 564132602 /nfs/dbraw/zinc/13/26/02/564132602.db2.gz CBNBEYAWMCHIIK-ZDUSSCGKSA-N 0 0 330.391 4.309 50 30 EIEARN N#Cc1c2c(c(-n3cnc4ccccc43)n3c4ccccc4nc13)CCC2 ZINC000000083699 564132798 /nfs/dbraw/zinc/13/27/98/564132798.db2.gz ZHPSMXOHXVQZRM-UHFFFAOYSA-N 0 0 349.397 4.187 50 30 EIEARN N#Cc1c(N)c2c(cc1-c1ccc(F)cc1)c1ccccc1oc2=O ZINC000000131402 564132872 /nfs/dbraw/zinc/13/28/72/564132872.db2.gz LEOKCRKHJFZTGQ-UHFFFAOYSA-N 0 0 330.318 4.206 50 30 EIEARN CSc1nc(-c2ccccc2)nc(Sc2ccccn2)c1C#N ZINC000000132117 564132893 /nfs/dbraw/zinc/13/28/93/564132893.db2.gz FUTJUCDKVGORIB-UHFFFAOYSA-N 0 0 336.445 4.283 50 30 EIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CSc3ccccc3)sc2C1 ZINC000000143025 564132913 /nfs/dbraw/zinc/13/29/13/564132913.db2.gz HGCGXVIMGMKVHX-GFCCVEGCSA-N 0 0 342.489 4.475 50 30 EIEARN COc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000000183137 564132977 /nfs/dbraw/zinc/13/29/77/564132977.db2.gz JPIAXFIQVIYYKT-UHFFFAOYSA-N 0 0 328.375 4.420 50 30 EIEARN C[C@@H]1C[C@@H](C)CN(c2oc(COc3ccccc3Cl)nc2C#N)C1 ZINC000000618877 564133501 /nfs/dbraw/zinc/13/35/01/564133501.db2.gz WYRLOBUVSHWFSW-CHWSQXEVSA-N 0 0 345.830 4.261 50 30 EIEARN CCn1c(Cc2ccccc2)nnc1SCc1ccc(C#N)cc1 ZINC000000620490 564133520 /nfs/dbraw/zinc/13/35/20/564133520.db2.gz HXYCAHGRZCVYRG-UHFFFAOYSA-N 0 0 334.448 4.053 50 30 EIEARN CCCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2O)cc1 ZINC000013161705 564133800 /nfs/dbraw/zinc/13/38/00/564133800.db2.gz VDXDMGVYYKZDHV-GOSISDBHSA-N 0 0 326.396 4.211 50 30 EIEARN Cn1c(SCc2ccccc2C#N)nnc1-c1ccccc1Cl ZINC000008769777 564134063 /nfs/dbraw/zinc/13/40/63/564134063.db2.gz ZRHCIWMOAGVLRL-UHFFFAOYSA-N 0 0 340.839 4.299 50 30 EIEARN N#Cc1ccccc1C(=O)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 ZINC000065405366 564134312 /nfs/dbraw/zinc/13/43/12/564134312.db2.gz FNUZPMRMRLXMMH-JOCHJYFZSA-N 0 0 344.414 4.029 50 30 EIEARN N#Cc1ccc(Oc2cc(F)c(CN3CCCC3)c(Cl)c2)nc1 ZINC000067856280 564134922 /nfs/dbraw/zinc/13/49/22/564134922.db2.gz PITUPKHIZLTBKP-UHFFFAOYSA-N 0 0 331.778 4.134 50 30 EIEARN COc1ccc(/C=N/c2c(-c3ccco3)nc3ccccn32)cc1OC ZINC000013114102 564136004 /nfs/dbraw/zinc/13/60/04/564136004.db2.gz DJDHTRULUUTXOC-FYJGNVAPSA-N 0 0 347.374 4.362 50 30 EIEARN CCCC[C@H](c1cccnc1)N(C)C(=O)NCc1ccc(C#N)cc1 ZINC000534648577 564136044 /nfs/dbraw/zinc/13/60/44/564136044.db2.gz GIVPOYJXZNGLEE-LJQANCHMSA-N 0 0 336.439 4.026 50 30 EIEARN CCC[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(C)on3)sc2C1 ZINC000013327325 564136232 /nfs/dbraw/zinc/13/62/32/564136232.db2.gz HVFPBGYSRJLTRY-LLVKDONJSA-N 0 0 329.425 4.074 50 30 EIEARN CC(=O)Nc1ccc(C)c(NC(=O)N2CCC[C@H](OCC3CC3)C2)c1 ZINC000328588933 564136672 /nfs/dbraw/zinc/13/66/72/564136672.db2.gz YXESLZMKSWKAKR-KRWDZBQOSA-N 0 0 345.443 4.039 50 30 EIEARN CC(C)Oc1ccc(-c2nc(C(=O)O[C@H](C#N)C3CC3)cs2)cc1 ZINC000080414296 564139676 /nfs/dbraw/zinc/13/96/76/564139676.db2.gz HROLZEIBYJGBGX-MRXNPFEDSA-N 0 0 342.420 4.056 50 30 EIEARN C=C(C)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 ZINC000002623596 564151302 /nfs/dbraw/zinc/15/13/02/564151302.db2.gz KZTUCJJZXCIPGD-UHFFFAOYSA-N 0 0 340.423 4.252 50 30 EIEARN COc1ccc(-c2nnc(SCC#N)n2[C@@H]2CCCC[C@H]2C)cc1 ZINC000002627119 564151352 /nfs/dbraw/zinc/15/13/52/564151352.db2.gz YIPJRWVOQPIIRT-CZUORRHYSA-N 0 0 342.468 4.321 50 30 EIEARN CC(=NN=C(C(=O)c1ccccc1)c1ccccc1)c1ccncc1 ZINC000254633025 564152348 /nfs/dbraw/zinc/15/23/48/564152348.db2.gz NYUFOZPMJGUISG-UHFFFAOYSA-N 0 0 327.387 4.178 50 30 EIEARN CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C#N ZINC000002750617 564152433 /nfs/dbraw/zinc/15/24/33/564152433.db2.gz GIHXEYACYGADDO-UHFFFAOYSA-N 0 0 349.799 4.305 50 30 EIEARN Cc1ccccc1Cn1ccc(NC=CC(=O)c2ccc(F)cc2)n1 ZINC000002794251 564152697 /nfs/dbraw/zinc/15/26/97/564152697.db2.gz VKYKHOBRQZIQTG-ZRDIBKRKSA-N 0 0 335.382 4.187 50 30 EIEARN COc1cccc(/C=N\[C@H](c2ccccc2)[C@@H](O)c2ccccc2)c1O ZINC000230236036 564155218 /nfs/dbraw/zinc/15/52/18/564155218.db2.gz GPAIGKMUMHWDAF-XSTYWCFOSA-N 0 0 347.414 4.295 50 30 EIEARN CC(=O)C(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(C)=O ZINC000003182164 564155745 /nfs/dbraw/zinc/15/57/45/564155745.db2.gz FGYBCSJQEDKGKG-UHFFFAOYSA-N 0 0 330.387 4.101 50 30 EIEARN CCN1C(=S)SC(=O)C1=C1C=C(C)N(Cc2ccco2)C(C)=C1 ZINC000003252138 564156611 /nfs/dbraw/zinc/15/66/11/564156611.db2.gz AQWLITYTSYRLNQ-UHFFFAOYSA-N 0 0 346.477 4.037 50 30 EIEARN N#C[C@]1(c2nc3ccccc3[nH]2)Cc2c(F)cccc2N2CCCC[C@@H]21 ZINC000003295181 564157145 /nfs/dbraw/zinc/15/71/45/564157145.db2.gz JRVYXULFWFUGEN-TZIWHRDSSA-N 0 0 346.409 4.079 50 30 EIEARN COc1ccc(OC)c([C@H]2CCCN2c2cccc(F)c2C#N)c1 ZINC000058368692 564158869 /nfs/dbraw/zinc/15/88/69/564158869.db2.gz LYJXBYRSNPZCTG-QGZVFWFLSA-N 0 0 326.371 4.056 50 30 EIEARN CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000058378348 564158895 /nfs/dbraw/zinc/15/88/95/564158895.db2.gz ZEWABWLQSPSMTD-UHFFFAOYSA-N 0 0 343.386 4.018 50 30 EIEARN Brc1cccc(C=NNc2cccc3cccnc32)c1 ZINC000004016797 564160029 /nfs/dbraw/zinc/16/00/29/564160029.db2.gz LZUQASMSAOUBAH-YBFXNURJSA-N 0 0 326.197 4.443 50 30 EIEARN C[C@H](C#N)Sc1nnc(-c2ccccc2F)n1Cc1ccccc1 ZINC000004244421 564161236 /nfs/dbraw/zinc/16/12/36/564161236.db2.gz UOTFIAOKKCRXSR-CYBMUJFWSA-N 0 0 338.411 4.137 50 30 EIEARN CC1CCN(c2oc(COc3ccc(Cl)cc3)nc2C#N)CC1 ZINC000004268546 564161304 /nfs/dbraw/zinc/16/13/04/564161304.db2.gz CKZKTQNPUFOQBU-UHFFFAOYSA-N 0 0 331.803 4.015 50 30 EIEARN CSc1nc(NCc2ccccc2)c(C#N)c(-c2ccccc2)n1 ZINC000007995242 564162040 /nfs/dbraw/zinc/16/20/40/564162040.db2.gz WDPBSISWBWNGAM-UHFFFAOYSA-N 0 0 332.432 4.349 50 30 EIEARN Cc1ccccc1-n1c(SCC#N)nnc1-c1c[nH]c2ccccc12 ZINC000008090928 564162637 /nfs/dbraw/zinc/16/26/37/564162637.db2.gz XJRHPFRURHWWAC-UHFFFAOYSA-N 0 0 345.431 4.340 50 30 EIEARN COc1ccccc1/C=C/c1nc(C#N)c(NCc2ccc(F)cc2)o1 ZINC000008495881 564165474 /nfs/dbraw/zinc/16/54/74/564165474.db2.gz NEEZDWQXQWONLN-DHZHZOJOSA-N 0 0 349.365 4.476 50 30 EIEARN CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(CC#N)cc2)n1 ZINC000069392965 564169135 /nfs/dbraw/zinc/16/91/35/564169135.db2.gz VPDOAXDFABWXHQ-UHFFFAOYSA-N 0 0 346.390 4.178 50 30 EIEARN C[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000069421086 564169390 /nfs/dbraw/zinc/16/93/90/564169390.db2.gz GKQRGGCHEHMIAZ-NSHDSACASA-N 0 0 340.814 4.128 50 30 EIEARN COc1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1CC#N ZINC000009515495 564173984 /nfs/dbraw/zinc/17/39/84/564173984.db2.gz QSIBABQWWHUBLF-UHFFFAOYSA-N 0 0 349.415 4.137 50 30 EIEARN C=CCNC(=O)c1cc(OCc2ccc(C)cc2)nc2ccccc21 ZINC000009587978 564174239 /nfs/dbraw/zinc/17/42/39/564174239.db2.gz KLWMNDQTWPHYIN-UHFFFAOYSA-N 0 0 332.403 4.038 50 30 EIEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/C=C/c1ccccc1)O2 ZINC000013539726 568415216 /nfs/dbraw/zinc/41/52/16/568415216.db2.gz BFUAMCBINYQIFH-HGZPKWKRSA-N 0 0 349.430 4.406 50 30 EIEARN CCCc1cc(NCc2ccccn2)n2c3ccccc3nc2c1C#N ZINC000000352606 568422635 /nfs/dbraw/zinc/42/26/35/568422635.db2.gz HHAMABPQWJFFMA-UHFFFAOYSA-N 0 0 341.418 4.319 50 30 EIEARN Cc1cnc2c(c1)c(C#C[Si](C)(C)C)cn2C(=O)OC(C)(C)C ZINC000169794186 1032525752 /nfs/dbraw/zinc/52/57/52/1032525752.db2.gz RNCYDCNHKOCUTD-UHFFFAOYSA-N 0 0 328.488 4.357 50 30 EIEARN N#C[C@H](C(=O)C=Cc1cccc2cccnc12)c1nc2ccccc2[nH]1 ZINC000051047751 1023334755 /nfs/dbraw/zinc/33/47/55/1023334755.db2.gz VQTKXMDXZRDAGW-BLIJAFNYSA-N 0 0 338.370 4.001 50 30 EIEARN C[C@@H](NC(=O)C=CCOc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000328592715 1023588068 /nfs/dbraw/zinc/58/80/68/1023588068.db2.gz PWEDXKXVOBFTCL-SBJJXXPASA-N 0 0 339.391 4.111 50 30 EIEARN N#Cc1cccc(-c2csc(NC(=O)[C@@H]3CCC(F)(F)C3)n2)c1 ZINC000332115417 1023891975 /nfs/dbraw/zinc/89/19/75/1023891975.db2.gz HGZXHPOLPKVCIT-GFCCVEGCSA-N 0 0 333.363 4.056 50 30 EIEARN C#CCCC1(CCC(=O)N2CCC3(CC2)c2ccccc2N=C3C)N=N1 ZINC000888095938 1025988845 /nfs/dbraw/zinc/98/88/45/1025988845.db2.gz FRZZIWHZOROLLQ-UHFFFAOYSA-N 0 0 348.450 4.009 50 30 EIEARN C=C(C)CC[Si](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169828062 1029088868 /nfs/dbraw/zinc/08/88/68/1029088868.db2.gz HEBCQJSPBRHROU-UHFFFAOYSA-N 0 0 328.531 4.123 50 30 EIEARN C=CCNC(=O)c1ccccc1C(=O)Nc1cccc2ccccc21 ZINC000002495700 1031182660 /nfs/dbraw/zinc/18/26/60/1031182660.db2.gz MVBCDHVSTZFQFA-UHFFFAOYSA-N 0 0 330.387 4.008 50 30 EIEARN O=[N+]([O-])c1ccccc1C=NN=C(c1ccccc1)c1ccccc1 ZINC000254822848 1034447927 /nfs/dbraw/zinc/44/79/27/1034447927.db2.gz PONBXEMWPCIEML-UHFFFAOYSA-N 0 0 329.359 4.466 50 30 EIEARN Cc1ccc(C(=O)c2c(N=CN(C)C)sc3c2CCCC3)cc1 ZINC000254347832 1037576569 /nfs/dbraw/zinc/57/65/69/1037576569.db2.gz ACXRJAZWXQUQKZ-UHFFFAOYSA-N 0 0 326.465 4.388 50 30 EIEARN COc1cccc(/C=C\C(=O)c2nc3ccccc3s2)c1OC ZINC000096861751 1039503486 /nfs/dbraw/zinc/50/34/86/1039503486.db2.gz YKTOINILYHWYRQ-KHPPLWFESA-N 0 0 325.389 4.210 50 30 EIEARN Cc1cc(C#N)nc(N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)n1 ZINC000521220083 1040376255 /nfs/dbraw/zinc/37/62/55/1040376255.db2.gz AXUJTDLUXDVLBS-SNVBAGLBSA-N 0 0 333.222 4.087 50 30 EIEARN C/C=C\C=NN=CC1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 ZINC000606347720 1043066729 /nfs/dbraw/zinc/06/67/29/1043066729.db2.gz ZOSMWBUNXSKXKF-IMEGYZKOSA-N 0 0 335.451 4.083 50 30 EIEARN C/C=C/C=NN=CC1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 ZINC000606347719 1043067604 /nfs/dbraw/zinc/06/76/04/1043067604.db2.gz ZOSMWBUNXSKXKF-GOMVQBOBSA-N 0 0 335.451 4.083 50 30 EIEARN N#CC1(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CCOCC1 ZINC000585081261 1049389136 /nfs/dbraw/zinc/38/91/36/1049389136.db2.gz UMIMNQNSCFMCMU-UHFFFAOYSA-N 0 0 340.810 4.266 50 30 EIEARN C#CCCC1(CCC(=O)N2CC3(CCCC3)c3cccc(F)c32)N=N1 ZINC000952880403 1049678342 /nfs/dbraw/zinc/67/83/42/1049678342.db2.gz KDTUTNOOQWAAKW-UHFFFAOYSA-N 0 0 339.414 4.340 50 30 EIEARN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(C#N)cc2)cc1C ZINC000952869768 1049678587 /nfs/dbraw/zinc/67/85/87/1049678587.db2.gz OBEKBUFRPKPXSA-UHFFFAOYSA-N 0 0 335.407 4.248 50 30 EIEARN C#CCCC1(CCC(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)N=N1 ZINC000952881586 1049680806 /nfs/dbraw/zinc/68/08/06/1049680806.db2.gz OHWDAPBAPHWUFA-OAHLLOKOSA-N 0 0 327.428 4.073 50 30 EIEARN COc1cc(/C=C2\COc3ccccc3C2=O)ccc1OCC(C)C ZINC000013141355 1056743649 /nfs/dbraw/zinc/74/36/49/1056743649.db2.gz KGIJWDAFVCOROK-MHWRWJLKSA-N 0 0 338.403 4.389 50 30 EIEARN O=C(c1cccc(Cl)c1)[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000055133182 214277715 /nfs/dbraw/zinc/27/77/15/214277715.db2.gz RYSJBDXZIHNSAC-LJQANCHMSA-N 0 0 337.850 4.286 50 30 EIEARN C=CCOc1ccc(C(=O)Nc2ccnn2[C@H](C)CC)cc1OCC ZINC000055383685 214314521 /nfs/dbraw/zinc/31/45/21/214314521.db2.gz GNOXTEJXWYWZNF-CQSZACIVSA-N 0 0 343.427 4.070 50 30 EIEARN C=CCSc1nc2n(n1)[C@H](c1ccccc1)C1C(=O)CCCC1=N2 ZINC000101324191 219122420 /nfs/dbraw/zinc/12/24/20/219122420.db2.gz WVCHGJUNCLWDAD-MRXNPFEDSA-N 0 0 338.436 4.228 50 30 EIEARN COc1ccc(C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000101388655 219124772 /nfs/dbraw/zinc/12/47/72/219124772.db2.gz SELKKFNQPHGUOZ-POHAHGRESA-N 0 0 346.198 4.153 50 30 EIEARN COc1ccc(-c2nnc(SCc3ccc(C#N)cc3F)o2)cc1 ZINC000010499302 201800290 /nfs/dbraw/zinc/80/02/90/201800290.db2.gz DLKUNYCENDOZNE-UHFFFAOYSA-N 0 0 341.367 4.048 50 30 EIEARN CN1c2ccccc2C(C)(C)C1=CC=[NH+][N-]c1ccc([N+](=O)[O-])cc1 ZINC000012524064 201851176 /nfs/dbraw/zinc/85/11/76/201851176.db2.gz JDXDUQJTANXNCY-KCAJXKFRSA-N 0 0 336.395 4.304 50 30 EIEARN O=C1c2cc(F)ccc2OCC/C1=C\c1cnn(-c2ccccc2)c1 ZINC000012752723 201864136 /nfs/dbraw/zinc/86/41/36/201864136.db2.gz WKKZDOHQORQTBA-XNTDXEJSSA-N 0 0 334.350 4.060 50 30 EIEARN Fc1ccc2[nH]c3c(c2c1)CN(C(=S)NCc1ccccc1)CC3 ZINC000013635406 201904622 /nfs/dbraw/zinc/90/46/22/201904622.db2.gz WLTRZYJECILGQH-UHFFFAOYSA-N 0 0 339.439 4.151 50 30 EIEARN COc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)ccc1O ZINC000017197665 201987863 /nfs/dbraw/zinc/98/78/63/201987863.db2.gz ZAHCBSGUQIYBJS-DHDCSXOGSA-N 0 0 344.367 4.272 50 30 EIEARN C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1Cl)C2 ZINC000002469441 209855298 /nfs/dbraw/zinc/85/52/98/209855298.db2.gz XBPBAFJTJDRHDS-GFCCVEGCSA-N 0 0 343.810 4.232 50 30 EIEARN C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(CC)cc1)C2 ZINC000002469594 209854906 /nfs/dbraw/zinc/85/49/06/209854906.db2.gz NJVYWHQRDJIEHT-INIZCTEOSA-N 0 0 337.419 4.141 50 30 EIEARN Cc1c(/N=C/c2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000018276491 201996661 /nfs/dbraw/zinc/99/66/61/201996661.db2.gz BPWDRHYDVKYRHL-VGOFMYFVSA-N 0 0 325.187 4.478 50 30 EIEARN CCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccc(O)c(OC)c1 ZINC000019520998 202009598 /nfs/dbraw/zinc/00/95/98/202009598.db2.gz ZUTIDFXFQVSBOU-UHFFFAOYSA-N 0 0 345.402 4.146 50 30 EIEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000019772284 202019628 /nfs/dbraw/zinc/01/96/28/202019628.db2.gz DIAOOWNEGNTNMG-ZMZPIMSZSA-N 0 0 345.464 4.058 50 30 EIEARN Clc1ccc(CN2CCN(/N=C/C=C/c3ccccc3)CC2)cc1 ZINC000019773024 202019780 /nfs/dbraw/zinc/01/97/80/202019780.db2.gz QFTORSSAYNMKPR-XJLPLWBLSA-N 0 0 339.870 4.157 50 30 EIEARN C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)c1cnccn1 ZINC000184991917 235553141 /nfs/dbraw/zinc/55/31/41/235553141.db2.gz 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N#Cc1cccc(COC(=O)/C=C\c2ccc(OC(F)(F)F)cc2)c1 ZINC000096499378 203893404 /nfs/dbraw/zinc/89/34/04/203893404.db2.gz DOVAPIDCJYLRMF-TWGQIWQCSA-N 0 0 347.292 4.213 50 30 EIEARN N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N1CCc2ccccc2C1 ZINC000096346558 203889459 /nfs/dbraw/zinc/88/94/59/203889459.db2.gz ZTYGTXDCIQUHKX-OALUTQOASA-N 0 0 341.414 4.380 50 30 EIEARN N#Cc1cccc(C=Cc2nc(=O)c3c4c(sc3[nH]2)CCCCC4)c1 ZINC000096939759 203902829 /nfs/dbraw/zinc/90/28/29/203902829.db2.gz LJCPSXJQKAXBGR-KTKRTIGZSA-N 0 0 347.443 4.296 50 30 EIEARN Cc1ccccc1NN=C1c2ccccc2N(c2ccccc2)C1=O ZINC000100327206 203992039 /nfs/dbraw/zinc/99/20/39/203992039.db2.gz QYOICKWNRBYOKH-ATJXCDBQSA-N 0 0 327.387 4.490 50 30 EIEARN CSc1ccc([C@H]2C3C(=O)CCCC3=Nc3c(C#N)cnn32)cc1 ZINC000102838780 204052382 /nfs/dbraw/zinc/05/23/82/204052382.db2.gz IOAYHJWABZCPLY-KRWDZBQOSA-N 0 0 336.420 4.148 50 30 EIEARN O=C(/C=C/c1ccsc1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000042622179 204114810 /nfs/dbraw/zinc/11/48/10/204114810.db2.gz KPSJOGQVDQTVMM-CSKARUKUSA-N 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/nfs/dbraw/zinc/26/36/37/206263637.db2.gz ADCFFFHIKUQGTB-MHWRWJLKSA-N 0 0 331.437 4.349 50 30 EIEARN N#Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000006400979 206516124 /nfs/dbraw/zinc/51/61/24/206516124.db2.gz JZKZTCFSSBLQJW-UHFFFAOYSA-N 0 0 328.371 4.390 50 30 EIEARN C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1NC[C@@H]1CCCO1 ZINC000010383686 211168725 /nfs/dbraw/zinc/16/87/25/211168725.db2.gz UXHHOVHHCQICIA-KRWDZBQOSA-N 0 0 348.450 4.024 50 30 EIEARN C=CCOc1ccc([C@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)cc1 ZINC000009546569 211100947 /nfs/dbraw/zinc/10/09/47/211100947.db2.gz XPWQWKKIFHMHEE-QGZVFWFLSA-N 0 0 345.402 4.116 50 30 EIEARN N#CCC[C@@H](C#N)CN1CCC(c2nc3cc(F)ccc3s2)CC1 ZINC000095407049 218343488 /nfs/dbraw/zinc/34/34/88/218343488.db2.gz IMMZDTGOFGBUCW-ZDUSSCGKSA-N 0 0 342.443 4.058 50 30 EIEARN C=C(C)CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 ZINC000008529002 210962273 /nfs/dbraw/zinc/96/22/73/210962273.db2.gz ABIYMVHHTASCPB-UHFFFAOYSA-N 0 0 326.400 4.137 50 30 EIEARN C=CCSc1ncc(Cl)c(C(=O)Nc2ccccc2OCC)n1 ZINC000006748030 210701030 /nfs/dbraw/zinc/70/10/30/210701030.db2.gz DZRNKJAMUXPQEH-UHFFFAOYSA-N 0 0 349.843 4.059 50 30 EIEARN C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(OC(F)F)cc1 ZINC000012540461 207173928 /nfs/dbraw/zinc/17/39/28/207173928.db2.gz YJGWEFFJEPUSTD-JTQLQIEISA-N 0 0 333.294 4.241 50 30 EIEARN O=C(/C=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000004792935 210279114 /nfs/dbraw/zinc/27/91/14/210279114.db2.gz WVAKBLZITFBXIW-QPJJXVBHSA-N 0 0 332.699 4.053 50 30 EIEARN COc1ccc(/C=C2\Oc3c(c(Cl)ccc3Cl)C2=O)cc1O ZINC000299738187 257986081 /nfs/dbraw/zinc/98/60/81/257986081.db2.gz HUJNOMDGDIRFMQ-QPEQYQDCSA-N 0 0 337.158 4.324 50 30 EIEARN COCCC(=O)Nc1ccccc1NC(=O)c1ccc2ccccc2n1 ZINC000330032048 258002168 /nfs/dbraw/zinc/00/21/68/258002168.db2.gz HMGAMMGVLQTKRY-UHFFFAOYSA-N 0 0 349.390 4.112 50 30 EIEARN CCc1nc2cc(NC(=O)c3cccc(Cn4ccnc4)c3)ccc2o1 ZINC000330032137 258002593 /nfs/dbraw/zinc/00/25/93/258002593.db2.gz ITOUBDBSKHOGRM-UHFFFAOYSA-N 0 0 346.390 4.271 50 30 EIEARN CC(C)(C)c1cnc(CCC(=O)Nc2n[nH]c3cccc(F)c32)o1 ZINC000330031853 258003004 /nfs/dbraw/zinc/00/30/04/258003004.db2.gz DZLWISHCHOTGKO-UHFFFAOYSA-N 0 0 330.363 4.208 50 30 EIEARN Cn1ccnc1Sc1ccccc1NC(=O)c1cc[nH]c1C1CC1 ZINC000330031831 258003011 /nfs/dbraw/zinc/00/30/11/258003011.db2.gz DUKZWUULVSJRRK-UHFFFAOYSA-N 0 0 338.436 4.413 50 30 EIEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000032198644 258015904 /nfs/dbraw/zinc/01/59/04/258015904.db2.gz KZSWFHUHUZQAFT-UHFFFAOYSA-N 0 0 347.827 4.213 50 30 EIEARN C=CCn1c(SCC(=O)C(C)(C)C)nnc1-c1ccc(Cl)cc1 ZINC000002454197 258016763 /nfs/dbraw/zinc/01/67/63/258016763.db2.gz NMWMHHMYLUOUGJ-UHFFFAOYSA-N 0 0 349.887 4.492 50 30 EIEARN C=C(C)COc1ccccc1NC(=O)[C@H](C)Oc1ccccc1OC ZINC000009822790 258018258 /nfs/dbraw/zinc/01/82/58/258018258.db2.gz ROFVYRQJSFUANH-HNNXBMFYSA-N 0 0 341.407 4.056 50 30 EIEARN N#Cc1ccc(NC(=O)N2CCCC3(CCOCC3)C2)c2ccccc12 ZINC000299800424 258103378 /nfs/dbraw/zinc/10/33/78/258103378.db2.gz WIIBCSOTDJZEGX-UHFFFAOYSA-N 0 0 349.434 4.136 50 30 EIEARN COc1cc(C2(C(=O)[C@H](C#N)c3nc4ccccc4o3)CC2)ccc1C ZINC000069697914 258063813 /nfs/dbraw/zinc/06/38/13/258063813.db2.gz YKCJRUHXUPJYCR-HNNXBMFYSA-N 0 0 346.386 4.053 50 30 EIEARN C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000095409905 258066825 /nfs/dbraw/zinc/06/68/25/258066825.db2.gz WXPXJOKLPSSJKJ-HNNXBMFYSA-N 0 0 348.406 4.311 50 30 EIEARN Oc1ccc(C=Nc2ccc(N=Cc3ccc(O)cc3O)cc2)c(O)c1 ZINC000254289905 258073492 /nfs/dbraw/zinc/07/34/92/258073492.db2.gz MOMHMKZZTYCMBE-UHFFFAOYSA-N 0 0 348.358 4.010 50 30 EIEARN CCOC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C ZINC000257346310 258073698 /nfs/dbraw/zinc/07/36/98/258073698.db2.gz YAPZUKSWNYMANR-DLHQSYQFSA-N 0 0 330.468 4.308 50 30 EIEARN O=C1CCCC2=C1[C@@H](c1ccsc1)CC(=O)N2c1ccc(F)cc1 ZINC000000109260 135644811 /nfs/dbraw/zinc/64/48/11/135644811.db2.gz KIETWZHLXZRZGX-OAHLLOKOSA-N 0 0 341.407 4.415 50 30 EIEARN Clc1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000001740240 135655985 /nfs/dbraw/zinc/65/59/85/135655985.db2.gz SNKAXUOQCWMCII-DEDYPNTBSA-N 0 0 334.250 4.150 50 30 EIEARN Clc1ccc(N2CCN(/N=C/c3cccc(Cl)c3)CC2)cc1 ZINC000001740085 135656092 /nfs/dbraw/zinc/65/60/92/135656092.db2.gz MTRLXXMKQPJRLQ-DEDYPNTBSA-N 0 0 334.250 4.150 50 30 EIEARN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N(C)[C@@H](C)C1CCCCC1 ZINC000328586295 262516284 /nfs/dbraw/zinc/51/62/84/262516284.db2.gz UKSNJDKSHAZOHV-HOCLYGCPSA-N 0 0 347.507 4.051 50 30 EIEARN N#Cc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3o2)cc1 ZINC000003301794 518196687 /nfs/dbraw/zinc/19/66/87/518196687.db2.gz WATDNVVLLJLZSL-UHFFFAOYSA-N 0 0 343.795 4.084 50 30 EIEARN C=CCOc1ccccc1Oc1ccc2nnc(-c3ccccc3)n2n1 ZINC000012409151 519072772 /nfs/dbraw/zinc/07/27/72/519072772.db2.gz KNGMTDWGKKBODA-UHFFFAOYSA-N 0 0 344.374 4.148 50 30 EIEARN C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccncc2)o1 ZINC000028235469 519146699 /nfs/dbraw/zinc/14/66/99/519146699.db2.gz PFFPBGQALVCCBP-UHFFFAOYSA-N 0 0 334.375 4.234 50 30 EIEARN C=CCn1c(C(=O)NCc2ccccc2F)cc2sc(C)cc21 ZINC000037526062 519166815 /nfs/dbraw/zinc/16/68/15/519166815.db2.gz OCJXHWAYQACUKU-UHFFFAOYSA-N 0 0 328.412 4.266 50 30 EIEARN C=CCn1c(SCc2c(F)cccc2F)nnc1-c1ccncc1 ZINC000000528227 519237181 /nfs/dbraw/zinc/23/71/81/519237181.db2.gz UMRICPVOKUCUGL-UHFFFAOYSA-N 0 0 344.390 4.097 50 30 EIEARN C=CCn1cc(CN(Cc2ccsc2)Cc2ccco2)c(C)n1 ZINC000055370250 519278834 /nfs/dbraw/zinc/27/88/34/519278834.db2.gz SKCTZEVURUKKEA-UHFFFAOYSA-N 0 0 327.453 4.234 50 30 EIEARN CCCCCCCNC(=O)COc1ccc(C)cc1Br ZINC000002134562 520054287 /nfs/dbraw/zinc/05/42/87/520054287.db2.gz HMJYFZSUIGZZFI-UHFFFAOYSA-N 0 0 342.277 4.223 50 30 EIEARN COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(C)cc1C ZINC000008322588 522817762 /nfs/dbraw/zinc/81/77/62/522817762.db2.gz UWYRNYZPSWCXIE-VQHVLOKHSA-N 0 0 326.392 4.225 50 30 EIEARN COc1ccc(C(=O)C=CNc2ccc(F)c(Cl)c2)cc1OC ZINC000000524497 523534941 /nfs/dbraw/zinc/53/49/41/523534941.db2.gz HYOFJUXHVTYTQE-BQYQJAHWSA-N 0 0 335.762 4.305 50 30 EIEARN Cc1ccc(C[C@@H](C#N)Sc2n[nH]c(-c3ccccc3F)n2)cc1 ZINC000006879656 524651532 /nfs/dbraw/zinc/65/15/32/524651532.db2.gz IANQOVCNFWJSJC-AWEZNQCLSA-N 0 0 338.411 4.146 50 30 EIEARN COc1ccc([C@H](CC(=O)c2ccc(C)c(C)c2)C(C#N)C#N)cc1 ZINC000042384914 525346528 /nfs/dbraw/zinc/34/65/28/525346528.db2.gz QDUOCBWAKGHNSP-FQEVSTJZSA-N 0 0 332.403 4.332 50 30 EIEARN COc1ccc([C@H](CC(=O)c2ccc(C)cc2)C(C#N)C#N)cc1OC ZINC000000266045 525346844 /nfs/dbraw/zinc/34/68/44/525346844.db2.gz NXYJRFHKWDBBNI-SFHVURJKSA-N 0 0 348.402 4.032 50 30 EIEARN Cc1ccccc1[C@H]1C2=C(NC3=C1C(=O)CCC3)c1ccccc1C2=O ZINC000018121824 525434517 /nfs/dbraw/zinc/43/45/17/525434517.db2.gz MBSWANGULPNYBG-LJQANCHMSA-N 0 0 341.410 4.297 50 30 EIEARN COc1ccc2cc([C@H](C)C(=O)[C@@H](C#N)c3ccccn3)ccc2c1 ZINC000041493396 525640852 /nfs/dbraw/zinc/64/08/52/525640852.db2.gz BQXZDWWLNYWOAJ-LIRRHRJNSA-N 0 0 330.387 4.223 50 30 EIEARN C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ccco1 ZINC000096416309 526237693 /nfs/dbraw/zinc/23/76/93/526237693.db2.gz LPGKUGZVQQDPMX-ZDUSSCGKSA-N 0 0 346.477 4.403 50 30 EIEARN N#CCCn1cc(C(=O)CN2CCCc3ccccc32)c2ccccc21 ZINC000012522238 526466696 /nfs/dbraw/zinc/46/66/96/526466696.db2.gz DFRJBYWUBINFIK-UHFFFAOYSA-N 0 0 343.430 4.190 50 30 EIEARN CC(C)C[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1cccnc1)C3=O ZINC000218047455 535326506 /nfs/dbraw/zinc/32/65/06/535326506.db2.gz XEUJTYPMRZHBQW-DUPVFGOHSA-N 0 0 349.386 4.137 50 30 EIEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]21C ZINC000000001244 560176511 /nfs/dbraw/zinc/17/65/11/560176511.db2.gz POZRVZJJTULAOH-GXVZMRFDSA-N 0 0 337.463 4.221 50 30 in-vitro EIEARN N#C[C@H](C(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 ZINC000000086645 563220795 /nfs/dbraw/zinc/22/07/95/563220795.db2.gz FPFJTOZAZJMXNZ-LLVKDONJSA-N 0 0 330.174 4.360 50 30 EIEARN CCOC(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000310770 563280621 /nfs/dbraw/zinc/28/06/21/563280621.db2.gz XRNHKCJUYRHUBB-VCHYOVAHSA-N 0 0 332.743 4.176 50 30 EIEARN O=C(NOC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000000450280 563319144 /nfs/dbraw/zinc/31/91/44/563319144.db2.gz SHENUHMCFJXIDX-UHFFFAOYSA-N 0 0 344.581 4.149 50 30 EIEARN Cc1ccsc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000001249247 563381258 /nfs/dbraw/zinc/38/12/58/563381258.db2.gz OXQCAOMVOUUCSL-LZYBPNLTSA-N 0 0 334.857 4.139 50 30 EIEARN N#CC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000002583421 563443286 /nfs/dbraw/zinc/44/32/86/563443286.db2.gz RASKRSBORLJDKF-UHFFFAOYSA-N 0 0 332.403 4.171 50 30 EIEARN CCOC(=O)c1cccc(NC(C)=CC(=O)c2ccc(OC)cc2)c1 ZINC000002994000 563468512 /nfs/dbraw/zinc/46/85/12/563468512.db2.gz MFUJNMFHPXAXHP-WYMLVPIESA-N 0 0 339.391 4.071 50 30 EIEARN N#C[C@](CCc1ccc(Cl)cc1)(Cn1cncn1)c1ccccc1 ZINC000003643199 563487195 /nfs/dbraw/zinc/48/71/95/563487195.db2.gz RQDJADAKIFFEKQ-LJQANCHMSA-N 0 0 336.826 4.026 50 30 in-vitro EIEARN Cc1nc(N=NC(C)c2cccc([N+](=O)[O-])c2)cc(-c2ccccc2)n1 ZINC000004595550 563505804 /nfs/dbraw/zinc/50/58/04/563505804.db2.gz VLGVUTPWDUZTIN-LPYMAVHISA-N 0 0 347.378 4.196 50 30 EIEARN O/N=C(\Nc1cccc(C(F)(F)F)c1)c1cnccc1C(F)(F)F ZINC000004695455 563508093 /nfs/dbraw/zinc/50/80/93/563508093.db2.gz MFBSOLKAVLQOJX-UHFFFAOYSA-N 0 0 349.234 4.367 50 30 EIEARN N#CCCCSc1nc2ccccc2nc1SCCCC#N ZINC000004717145 563508853 /nfs/dbraw/zinc/50/88/53/563508853.db2.gz VLRYOLMAKKHCLD-UHFFFAOYSA-N 0 0 328.466 4.422 50 30 EIEARN C=CCSC1=N/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)S1 ZINC000004845043 563513529 /nfs/dbraw/zinc/51/35/29/563513529.db2.gz CTDVUORBCWIUSC-XFFZJAGNSA-N 0 0 340.813 4.138 50 30 EIEARN C=CCSC1=N/C(=C\c2cccc(Br)c2)C(=O)S1 ZINC000004845423 563513567 /nfs/dbraw/zinc/51/35/67/563513567.db2.gz NHBLICUAHYNWED-FLIBITNWSA-N 0 0 340.267 4.339 50 30 EIEARN CC(C)(C)c1cnnn1-c1ccc(C(=O)/C=C/c2ccccc2)cc1 ZINC000004855158 563513761 /nfs/dbraw/zinc/51/37/61/563513761.db2.gz LMIMJVQOHGZMLD-NTEUORMPSA-N 0 0 331.419 4.461 50 30 EIEARN CC[C@H](C)Oc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000004916434 563515400 /nfs/dbraw/zinc/51/54/00/563515400.db2.gz OCIYDOVPQKMEKK-DZGCQCFKSA-N 0 0 341.451 4.111 50 30 EIEARN Cc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 ZINC000004914609 563515466 /nfs/dbraw/zinc/51/54/66/563515466.db2.gz OWBBIUUXEPUDLS-FUHWJXTLSA-N 0 0 349.405 4.138 50 30 EIEARN COc1cc(C=NNc2ccnc3cc(Cl)ccc32)ccc1O ZINC000004982087 563517493 /nfs/dbraw/zinc/51/74/93/563517493.db2.gz DVHZBLUWFREWQV-KEBDBYFISA-N 0 0 327.771 4.048 50 30 EIEARN CSc1nnc(-c2ccccc2)n1/N=C/c1c(F)cccc1Cl ZINC000005515350 563536184 /nfs/dbraw/zinc/53/61/84/563536184.db2.gz UDPGFAVFXSGNDQ-VXLYETTFSA-N 0 0 346.818 4.342 50 30 EIEARN CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C#N)cc3)S2)cc1 ZINC000006390884 563567038 /nfs/dbraw/zinc/56/70/38/563567038.db2.gz JWPRTRYEUAYXJP-BOPFTXTBSA-N 0 0 333.416 4.012 50 30 EIEARN Cc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000006819548 563587426 /nfs/dbraw/zinc/58/74/26/563587426.db2.gz VCDKESGYAWSRIZ-UKRRQHHQSA-N 0 0 337.444 4.061 50 30 EIEARN Cc1cccc(NC(=S)Nc2ccc(N3CCOCC3)cc2)c1C ZINC000008683492 563635346 /nfs/dbraw/zinc/63/53/46/563635346.db2.gz LKFMODNHNRMNJU-UHFFFAOYSA-N 0 0 341.480 4.169 50 30 EIEARN Cc1[nH]c2ccccc2c1C1=NN/C(=N\c2ccc(F)cc2)SC1 ZINC000013121806 563688917 /nfs/dbraw/zinc/68/89/17/563688917.db2.gz BZFDNEJCXXAXHN-UHFFFAOYSA-N 0 0 338.411 4.344 50 30 aggregator EIEARN C=C1SC(Nc2ccc(C(=O)OCC)cc2)=NC12CCCCC2 ZINC000013464817 563698446 /nfs/dbraw/zinc/69/84/46/563698446.db2.gz CZOPAVBGWMHJHC-UHFFFAOYSA-N 0 0 330.453 4.404 50 30 EIEARN COc1ccc(CNC(=S)N[C@@H](C)CCc2ccccc2)cc1 ZINC000013684645 563710811 /nfs/dbraw/zinc/71/08/11/563710811.db2.gz PKFBVRFKHNBDKJ-HNNXBMFYSA-N 0 0 328.481 4.092 50 30 EIEARN O=C1c2ccccc2C(=O)C1=Cc1cnn(Cc2ccccc2Cl)c1 ZINC000014187036 563748564 /nfs/dbraw/zinc/74/85/64/563748564.db2.gz AZQOGQZQIGFVPQ-UHFFFAOYSA-N 0 0 348.789 4.047 50 30 EIEARN O=C1N/C(=N/c2cccc(Cl)c2)S/C1=C\c1cccc(F)c1 ZINC000015016295 563772329 /nfs/dbraw/zinc/77/23/29/563772329.db2.gz LWFWDZPGSCUXCC-ZSOIEALJSA-N 0 0 332.787 4.371 50 30 EIEARN COc1cc(/C=N/O)ccc1OCc1ccc(Cl)cc1Cl ZINC000016214691 563806060 /nfs/dbraw/zinc/80/60/60/563806060.db2.gz ACWGZTSBFZXDDI-QGMBQPNBSA-N 0 0 326.179 4.389 50 30 EIEARN COc1ccc(/N=C2/NC(=O)/C(=C/C=C/c3ccccc3)S2)cc1 ZINC000016692974 563820622 /nfs/dbraw/zinc/82/06/22/563820622.db2.gz NNOMJHNGSTYWMG-WIXUPIFPSA-N 0 0 336.416 4.143 50 30 EIEARN CSc1nc(C2CC2)cc(C(=O)OCc2ccc(F)cc2)c1C#N ZINC000010711049 563860467 /nfs/dbraw/zinc/86/04/67/563860467.db2.gz NJUJEIIMSVLDMX-UHFFFAOYSA-N 0 0 342.395 4.049 50 30 EIEARN S=C(N/N=C/c1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000043761146 563925911 /nfs/dbraw/zinc/92/59/11/563925911.db2.gz WLJAQQJPBISGLI-RGVLZGJSSA-N 0 0 347.915 4.107 50 30 EIEARN Oc1ccc(Br)cc1/C=N/Cc1ccc(F)cc1F ZINC000044835646 563926721 /nfs/dbraw/zinc/92/67/21/563926721.db2.gz JYXVRZOGPUCQBY-QGMBQPNBSA-N 0 0 326.140 4.052 50 30 EIEARN O=C1c2ccccc2OC/C1=C/c1ccc(OCc2ccccn2)cc1 ZINC000096307295 563933157 /nfs/dbraw/zinc/93/31/57/563933157.db2.gz ROFUISCVZUUQIA-LGMDPLHJSA-N 0 0 343.382 4.319 50 30 EIEARN N#CCCN(Cc1cccnc1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000057994999 563936267 /nfs/dbraw/zinc/93/62/67/563936267.db2.gz IYCMBFPVCMOROB-UHFFFAOYSA-N 0 0 341.414 4.305 50 30 EIEARN NC(Cc1ccccc1Cl)=NOCc1coc(-c2cccs2)n1 ZINC000058406818 563945180 /nfs/dbraw/zinc/94/51/80/563945180.db2.gz OYGDXCDOOPQMBM-UHFFFAOYSA-N 0 0 347.827 4.088 50 30 EIEARN C/N=C1/S/C(=C\c2cc(C)n(C3CCCCC3)c2C)C(=O)N1C ZINC000004680014 563963903 /nfs/dbraw/zinc/96/39/03/563963903.db2.gz ZAIYEEOAEFREQI-QOOZPXINSA-N 0 0 331.485 4.142 50 30 EIEARN Cc1ncc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)s1 ZINC000328778512 563964585 /nfs/dbraw/zinc/96/45/85/563964585.db2.gz ISCATHUWAZAXSF-UHFFFAOYSA-N 0 0 342.424 4.258 50 30 EIEARN Cc1nnc(CSc2ccc(C#N)c(C(F)(F)F)c2)n1C1CC1 ZINC000097082325 563967281 /nfs/dbraw/zinc/96/72/81/563967281.db2.gz MQXVWZMSNBDWGW-UHFFFAOYSA-N 0 0 338.358 4.104 50 30 EIEARN O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000044012735 563980178 /nfs/dbraw/zinc/98/01/78/563980178.db2.gz LUEPEWABSZFJAF-RMKNXTFCSA-N 0 0 337.360 4.009 50 30 EIEARN CCCC(=NOCC)C1C(=O)CC([C@@H]2CCCSC2)CC1=O ZINC000100074467 563982331 /nfs/dbraw/zinc/98/23/31/563982331.db2.gz GGWHBJGBERXSLL-CRRCBQERSA-N 0 0 325.474 4.113 50 30 in-vitro EIEARN Cc1ccc(NN=C2c3ccccc3N(c3ccccc3)C2=O)cc1 ZINC000100327199 563982559 /nfs/dbraw/zinc/98/25/59/563982559.db2.gz UGWMOKYQBRQWEV-ATJXCDBQSA-N 0 0 327.387 4.490 50 30 EIEARN C=CCc1cccc2cc(C(=O)N(CC)c3ccccc3)c(=O)oc21 ZINC000000238697 563989047 /nfs/dbraw/zinc/98/90/47/563989047.db2.gz KRNZOWGLZIORGY-UHFFFAOYSA-N 0 0 333.387 4.188 50 30 EIEARN N#Cc1cccc(NC(=O)CSCc2ccc(F)cc2Cl)c1 ZINC000024067124 563991676 /nfs/dbraw/zinc/99/16/76/563991676.db2.gz GZZZXBZAOVLOPO-UHFFFAOYSA-N 0 0 334.803 4.223 50 30 EIEARN N#Cc1ccccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000004847017 563992018 /nfs/dbraw/zinc/99/20/18/563992018.db2.gz RAUXYTPZYBAERW-UHFFFAOYSA-N 0 0 344.370 4.368 50 30 EIEARN COc1ccc(Sc2c(/C=N/O)c(-c3ccccc3)nn2C)cc1 ZINC000100332428 563992213 /nfs/dbraw/zinc/99/22/13/563992213.db2.gz WMVJZDRKASJWHA-XDHOZWIPSA-N 0 0 339.420 4.055 50 30 EIEARN CCOc1ccc(NC(C)=CC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000100549495 563993685 /nfs/dbraw/zinc/99/36/85/563993685.db2.gz OBEVFGXAZSSFAG-OWBHPGMISA-N 0 0 339.391 4.055 50 30 EIEARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000248249134 563995628 /nfs/dbraw/zinc/99/56/28/563995628.db2.gz OFGDDQKGRBRAEO-KKUMJFAQSA-N 0 0 348.427 4.285 50 30 EIEARN CCC(=O)c1cccc(-c2cccc(C(=O)N3CCC(C#N)CC3)c2)c1 ZINC000426490302 563995788 /nfs/dbraw/zinc/99/57/88/563995788.db2.gz MEYNQEMXAJWLTH-UHFFFAOYSA-N 0 0 346.430 4.322 50 30 EIEARN COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1nc(C)cc(C)n1 ZINC000329192773 563996041 /nfs/dbraw/zinc/99/60/41/563996041.db2.gz SEVQMEJSTZAQJY-HNNXBMFYSA-N 0 0 325.412 4.200 50 30 EIEARN O=c1cc(C(F)(F)F)c2ccc(N=Cc3ccccc3O)cc2o1 ZINC000252618081 563997961 /nfs/dbraw/zinc/99/79/61/563997961.db2.gz LDLCEBCEYWLLCV-UHFFFAOYSA-N 0 0 333.265 4.268 50 30 EIEARN Cc1ccc2cc(C#N)c(SCC(=O)OC3CCCCC3)nc2c1 ZINC000000422306 563998550 /nfs/dbraw/zinc/99/85/50/563998550.db2.gz FHFFSECQPJMXSD-UHFFFAOYSA-N 0 0 340.448 4.383 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccccc1C ZINC000000428070 563998846 /nfs/dbraw/zinc/99/88/46/563998846.db2.gz YNBGRWSAGLWYGH-LPHOPBHVSA-N 0 0 340.444 4.376 50 30 EIEARN CSc1ccc2nc(NC(=O)c3ccc(C#N)cc3)sc2c1 ZINC000005299107 564002500 /nfs/dbraw/zinc/00/25/00/564002500.db2.gz ZTEXPPGZPFWNOL-UHFFFAOYSA-N 0 0 325.418 4.142 50 30 EIEARN CC(C)(C)c1ccc(C(=O)ONC(=N)c2ccccc2Cl)cc1 ZINC000005379958 564003155 /nfs/dbraw/zinc/00/31/55/564003155.db2.gz ZZALDIPNKIJBIF-UHFFFAOYSA-N 0 0 330.815 4.115 50 30 EIEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccco3)sc2C1 ZINC000005476535 564004496 /nfs/dbraw/zinc/00/44/96/564004496.db2.gz DZNCNLDORMFRJB-WAFBPQNNSA-N 0 0 326.421 4.380 50 30 EIEARN C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(C#N)cc1 ZINC000005629276 564006744 /nfs/dbraw/zinc/00/67/44/564006744.db2.gz RQLKQVSMJFBARA-LLVKDONJSA-N 0 0 339.445 4.287 50 30 EIEARN N#Cc1ccc(COC(=O)Cc2csc(-c3cccs3)n2)cc1 ZINC000017934934 564013309 /nfs/dbraw/zinc/01/33/09/564013309.db2.gz QHIVTODDJIAMIS-UHFFFAOYSA-N 0 0 340.429 4.029 50 30 EIEARN CC1(C)CC(=O)C(=CN[C@@H](c2ccc(Cl)cc2)C2CC2)C(=O)C1 ZINC000102401196 564019971 /nfs/dbraw/zinc/01/99/71/564019971.db2.gz IMDJYJDYEYLOSS-GOSISDBHSA-N 0 0 331.843 4.223 50 30 EIEARN CC1=NOC(=O)/C1=C/c1ccccc1OCc1cccc(Cl)c1 ZINC000100815525 564023865 /nfs/dbraw/zinc/02/38/65/564023865.db2.gz YVVUUQBTTGRODL-MHWRWJLKSA-N 0 0 327.767 4.235 50 30 EIEARN C=CCNc1nc(-c2ccccc2)c(C(=O)Nc2cccnc2)s1 ZINC000005807878 564033170 /nfs/dbraw/zinc/03/31/70/564033170.db2.gz AZUYPKPKVAGGEI-UHFFFAOYSA-N 0 0 336.420 4.055 50 30 EIEARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000257345590 564055827 /nfs/dbraw/zinc/05/58/27/564055827.db2.gz CBOGURZXXNBKGU-YWYDXDOESA-N 0 0 346.511 4.117 50 30 EIEARN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3[C@H](C)CC4=CC(=O)CC[C@H]4[C@H]3CC[C@@]12C ZINC000257356535 564055938 /nfs/dbraw/zinc/05/59/38/564055938.db2.gz IVCRCPJOLWECJU-WSDIJEAMSA-N 0 0 330.468 4.306 50 30 EIEARN CCN(C(=O)c1ccc(C#N)cc1)c1nc2cc(Cl)ccc2s1 ZINC000005959735 564057314 /nfs/dbraw/zinc/05/73/14/564057314.db2.gz KFPMZIWJNDBRLV-UHFFFAOYSA-N 0 0 341.823 4.488 50 30 EIEARN Cc1ccc(C)c2c1OC/C(=C\c1cnn(Cc3ccccc3)c1)C2=O ZINC000063411891 564057436 /nfs/dbraw/zinc/05/74/36/564057436.db2.gz FOZJAQULACZKMR-VXLYETTFSA-N 0 0 344.414 4.207 50 30 EIEARN C#CCSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1 ZINC000004061635 564061740 /nfs/dbraw/zinc/06/17/40/564061740.db2.gz GTQYGLIYKGPZKB-UHFFFAOYSA-N 0 0 348.406 4.280 50 30 EIEARN N#Cc1cc(-c2cccc(Cl)c2)cn(Cc2ccc(F)cc2)c1=O ZINC000001391924 564064537 /nfs/dbraw/zinc/06/45/37/564064537.db2.gz BQLNBSBXQCVBIQ-UHFFFAOYSA-N 0 0 338.769 4.228 50 30 EIEARN C/C(=N\OC(=O)c1ccccc1)c1sc2nc3ccccc3n2c1C ZINC000001398784 564064825 /nfs/dbraw/zinc/06/48/25/564064825.db2.gz REJRSMMGGFBHHR-CIAFOILYSA-N 0 0 349.415 4.438 50 30 EIEARN C=CCN(Cc1ccco1)C(=O)c1ccc(Cl)cc1NC(=O)CC ZINC000065404206 564066770 /nfs/dbraw/zinc/06/67/70/564066770.db2.gz LEOXLPREWMZCBM-UHFFFAOYSA-N 0 0 346.814 4.110 50 30 EIEARN C=CCNc1ccccc1C(=O)N(Cc1ccc(C)s1)C1CC1 ZINC000065528569 564066829 /nfs/dbraw/zinc/06/68/29/564066829.db2.gz WEMPFKKDQKXOCN-UHFFFAOYSA-N 0 0 326.465 4.459 50 30 EIEARN N#Cc1ccsc1NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000084502127 564068275 /nfs/dbraw/zinc/06/82/75/564068275.db2.gz NXPCCEHZZJGEPA-RYUDHWBXSA-N 0 0 336.338 4.381 50 30 EIEARN O=C(Nc1ccccc1C#Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000000437788 564074576 /nfs/dbraw/zinc/07/45/76/564074576.db2.gz NLRGFYQMOPVSCH-UHFFFAOYSA-N 0 0 342.354 4.247 50 30 EIEARN C=CCN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2C)C1=O ZINC000001128393 564074663 /nfs/dbraw/zinc/07/46/63/564074663.db2.gz BQZBHTKXJMKQGB-GHRIWEEISA-N 0 0 342.464 4.208 50 30 EIEARN C#CCN1C(=O)S/C(=C/c2cn([C@@H](C)CC)c3ccccc23)C1=O ZINC000001078115 564074678 /nfs/dbraw/zinc/07/46/78/564074678.db2.gz IQMUFKSVNORRFO-HNEYUBDGSA-N 0 0 338.432 4.282 50 30 EIEARN C=CCn1c(SCCC)nc2sc3c(c2c1=O)CCCCC3 ZINC000002183512 564074800 /nfs/dbraw/zinc/07/48/00/564074800.db2.gz FIWFRMMDZHNFEY-UHFFFAOYSA-N 0 0 334.510 4.415 50 30 EIEARN C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000012902316 564077720 /nfs/dbraw/zinc/07/77/20/564077720.db2.gz MJEYEEWUEYSYNC-MRXNPFEDSA-N 0 0 343.430 4.170 50 30 EIEARN C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1Br ZINC000024034382 564078821 /nfs/dbraw/zinc/07/88/21/564078821.db2.gz LKBUORUCMHRTDU-INIZCTEOSA-N 0 0 343.224 4.202 50 30 EIEARN N#C[C@@H](NC(=O)c1ccccc1Br)c1cccc(Cl)c1 ZINC000075138024 564080567 /nfs/dbraw/zinc/08/05/67/564080567.db2.gz MWZBLTVOYVLQSC-CQSZACIVSA-N 0 0 349.615 4.097 50 30 EIEARN N#Cc1ccccc1CSc1nnc(NCc2ccccc2)s1 ZINC000006252205 564083281 /nfs/dbraw/zinc/08/32/81/564083281.db2.gz UJLQCDIWLOGMKS-UHFFFAOYSA-N 0 0 338.461 4.314 50 30 EIEARN c1[nH]c2ccccc2c1CN=Nc1ncnc2sc3c(c21)CCCC3 ZINC000254698206 564089528 /nfs/dbraw/zinc/08/95/28/564089528.db2.gz AKDKHZVFMAWBFX-UHFFFAOYSA-N 0 0 347.447 4.497 50 30 EIEARN CCOC(=O)c1ccc(Nc2c(C#N)cnc3cc(OC)ccc32)cc1 ZINC000064438698 564091303 /nfs/dbraw/zinc/09/13/03/564091303.db2.gz UGUCZXOUHPCOCA-UHFFFAOYSA-N 0 0 347.374 4.035 50 30 EIEARN CCc1nc(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cs1 ZINC000065453602 564106064 /nfs/dbraw/zinc/10/60/64/564106064.db2.gz OPFHDPZMZJKUGQ-LBPRGKRZSA-N 0 0 345.493 4.138 50 30 EIEARN C=CCN(CC(F)(F)F)C(=O)c1cnc(-c2cccs2)s1 ZINC000065590942 564107897 /nfs/dbraw/zinc/10/78/97/564107897.db2.gz XMPJCIIRPBHUMU-UHFFFAOYSA-N 0 0 332.372 4.062 50 30 EIEARN Cc1ccc(Cl)cc1/N=C1/C(=O)Nc2ccc(Br)cc21 ZINC000013902920 564112119 /nfs/dbraw/zinc/11/21/19/564112119.db2.gz PUMPJIHJBCNVQR-UHFFFAOYSA-N 0 0 349.615 4.484 50 30 EIEARN Cc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3ccccc3)n2)cc1 ZINC000089641111 564112836 /nfs/dbraw/zinc/11/28/36/564112836.db2.gz QFEZGRXHDYIHIH-INIZCTEOSA-N 0 0 333.416 4.364 50 30 EIEARN Cc1cc(NC(=O)N(C)Cc2ccc(C#N)cc2)ccc1N1CCCC1 ZINC000076091928 564115674 /nfs/dbraw/zinc/11/56/74/564115674.db2.gz OVNUEMBQTMRCQB-UHFFFAOYSA-N 0 0 348.450 4.131 50 30 EIEARN N#C[C@H](C(=O)c1cccc(-c2ccoc2)c1)c1nc2ccccc2[nH]1 ZINC000089964430 564115902 /nfs/dbraw/zinc/11/59/02/564115902.db2.gz KOXVZLGOASIJFL-MRXNPFEDSA-N 0 0 327.343 4.313 50 30 EIEARN C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000246604604 564117829 /nfs/dbraw/zinc/11/78/29/564117829.db2.gz ZUJCLTWYFUOGTK-ILXRZTDVSA-N 0 0 329.469 4.345 50 30 EIEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=CC=Cc1ccccc1 ZINC000252429472 564118407 /nfs/dbraw/zinc/11/84/07/564118407.db2.gz SNYLSSXZGDASSB-AZLCPECLSA-N 0 0 340.839 4.435 50 30 EIEARN CCCCc1nc(CON=C(C)c2ccc(NC(C)=O)cc2)cs1 ZINC000252452643 564118538 /nfs/dbraw/zinc/11/85/38/564118538.db2.gz SYSBXLNTTNTXMC-UHFFFAOYSA-N 0 0 345.468 4.385 50 30 EIEARN Oc1ccc(Br)cc1C=Nc1n[nH]cc1-c1ccccc1 ZINC000252485522 564119328 /nfs/dbraw/zinc/11/93/28/564119328.db2.gz GXOYOLVTCNJBMB-GIJQJNRQSA-N 0 0 342.196 4.295 50 30 EIEARN C=CCSc1nc2sc3c(c2c(=O)n1CC=C)C[C@@H](C)CC3 ZINC000002197356 564120831 /nfs/dbraw/zinc/12/08/31/564120831.db2.gz SNHNRTKCALHBST-NSHDSACASA-N 0 0 332.494 4.047 50 30 EIEARN CC(=NOC(=O)C(c1ccccc1)c1ccccc1)c1cccnc1 ZINC000252588691 564120863 /nfs/dbraw/zinc/12/08/63/564120863.db2.gz ADSKEFQWDVBKRY-UHFFFAOYSA-N 0 0 330.387 4.181 50 30 EIEARN C=CCNC(=S)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000007662572 564121717 /nfs/dbraw/zinc/12/17/17/564121717.db2.gz GTEWGQCYUOLWNP-HNNXBMFYSA-N 0 0 341.505 4.011 50 30 EIEARN Cc1[nH]nc(N=Cc2ccc(O)cc2O)c1-c1ccc(Cl)cc1 ZINC000252625958 564123279 /nfs/dbraw/zinc/12/32/79/564123279.db2.gz QSYJWOOVPKKAAR-UHFFFAOYSA-N 0 0 327.771 4.200 50 30 EIEARN CC(C)N(Cc1ccccc1Cl)C(=O)c1cc(F)cc(C#N)c1 ZINC000055413388 564132593 /nfs/dbraw/zinc/13/25/93/564132593.db2.gz QHIOXTYSAPWENA-UHFFFAOYSA-N 0 0 330.790 4.402 50 30 EIEARN CCOc1cc(-c2cc(-c3cccc(F)c3)nc(N)c2C#N)ccc1O ZINC000067879220 564134968 /nfs/dbraw/zinc/13/49/68/564134968.db2.gz GJPYOQPYRUCLQW-UHFFFAOYSA-N 0 0 349.365 4.113 50 30 EIEARN Cc1cc(O)c(/C=N/c2ccc(N3CCOCC3)cc2)c(C)c1Cl ZINC000013120282 564136037 /nfs/dbraw/zinc/13/60/37/564136037.db2.gz NZCADTRKHKBBBL-CIAFOILYSA-N 0 0 344.842 4.250 50 30 EIEARN Cc1ccc(O[C@H](C)CNC(=O)C(C)(C)c2ccc(O)cc2)cc1 ZINC000328594400 564136799 /nfs/dbraw/zinc/13/67/99/564136799.db2.gz HYHNEHBMWRUBIJ-OAHLLOKOSA-N 0 0 327.424 4.402 50 30 EIEARN C[C@@H](NC(=O)N(Cc1ccccc1)CC(F)F)c1cccc(C#N)c1 ZINC000095413570 564139722 /nfs/dbraw/zinc/13/97/22/564139722.db2.gz DUJBZAZMROKAKD-CQSZACIVSA-N 0 0 343.377 4.096 50 30 EIEARN C=C[C@@H](CC(=O)N1CCC(Nc2cccc(C)n2)CC1)c1ccccc1 ZINC000095442937 564140486 /nfs/dbraw/zinc/14/04/86/564140486.db2.gz DBLBAWONSHQZDA-SFHVURJKSA-N 0 0 349.478 4.153 50 30 EIEARN CCCCCOc1ccccc1[C@@H](O)CC#CCCCC(=O)OC ZINC000028526494 564151174 /nfs/dbraw/zinc/15/11/74/564151174.db2.gz ZQRYAWVNSTVEIJ-SFHVURJKSA-N 0 0 332.440 4.026 50 30 in-vitro EIEARN COc1ccc(-c2nnc(SCC#N)n2[C@@H]2CCCC[C@@H]2C)cc1 ZINC000002627118 564151355 /nfs/dbraw/zinc/15/13/55/564151355.db2.gz YIPJRWVOQPIIRT-XJKSGUPXSA-N 0 0 342.468 4.321 50 30 EIEARN N#Cc1cnn2c1N[C@@H](c1ccc(Cl)s1)C[C@H]2C(F)(F)F ZINC000002752147 564152458 /nfs/dbraw/zinc/15/24/58/564152458.db2.gz BHCQXQHFDSPOJU-APPZFPTMSA-N 0 0 332.738 4.130 50 30 EIEARN N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000230197905 564155105 /nfs/dbraw/zinc/15/51/05/564155105.db2.gz MZANEIGGLAHDEH-XQQFMLRXSA-N 0 0 331.202 4.368 50 30 EIEARN CCc1cccc(CC)c1-n1c(SCC#N)nnc1-c1cccnc1 ZINC000003334659 564157427 /nfs/dbraw/zinc/15/74/27/564157427.db2.gz ROQWEESNOBMJFU-UHFFFAOYSA-N 0 0 349.463 4.070 50 30 EIEARN COc1cccc(/C=C/C(=O)c2cc3cc(Cl)ccc3oc2=O)c1 ZINC000003911134 564159679 /nfs/dbraw/zinc/15/96/79/564159679.db2.gz AMLSIAZBFXUDEH-FNORWQNLSA-N 0 0 340.762 4.351 50 30 EIEARN CC(C)(C)c1cc(-c2ccc(Br)cc2)c(C#N)c(N)n1 ZINC000032116999 564160840 /nfs/dbraw/zinc/16/08/40/564160840.db2.gz IAQFMHXCORWVOU-UHFFFAOYSA-N 0 0 330.229 4.262 50 30 EIEARN N#Cc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000008115172 564162768 /nfs/dbraw/zinc/16/27/68/564162768.db2.gz 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564176119 /nfs/dbraw/zinc/17/61/19/564176119.db2.gz GXULTXWHPIAXNQ-KRWDZBQOSA-N 0 0 331.435 4.248 50 30 EIEARN CN1c2ccccc2C(C)(C)/C1=C/C=C1C(=O)c2ccccc2C1=O ZINC000035058539 564177523 /nfs/dbraw/zinc/17/75/23/564177523.db2.gz KLYODLPILDTOAS-UYRXBGFRSA-N 0 0 329.399 4.304 50 30 EIEARN C=C(OC)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)C3=CC[C@@]21C ZINC000257355708 568419183 /nfs/dbraw/zinc/41/91/83/568419183.db2.gz CDDWHDDTCIDDRY-IWTFSIHTSA-N 0 0 342.479 4.330 50 30 EIEARN CCOc1c(F)c(N(C)C)c(C(F)(F)F)c(F)c1C(F)(F)F ZINC000104006873 1023907462 /nfs/dbraw/zinc/90/74/62/1023907462.db2.gz ROZAPFNQGQCIFW-UHFFFAOYSA-N 0 0 337.210 4.467 50 30 EIEARN N#C[C@@H]1CN(c2nc(C3CCCCC3)ns2)C[C@H]1c1ccccc1 ZINC000333867575 1023970144 /nfs/dbraw/zinc/97/01/44/1023970144.db2.gz RHUVBWQTMVHSJV-SJORKVTESA-N 0 0 338.480 4.329 50 30 EIEARN O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000006048363 1025734221 /nfs/dbraw/zinc/73/42/21/1025734221.db2.gz CYFNYKQUYPGSLT-GQCTYLIASA-N 0 0 334.293 4.373 50 30 EIEARN COc1cc(/C=C2\CSc3ccc(F)cc3C2=O)cc(OC)c1 ZINC000013135327 1031394244 /nfs/dbraw/zinc/39/42/44/1031394244.db2.gz SYYKFAPDIXFPRS-LFYBBSHMSA-N 0 0 330.380 4.215 50 30 EIEARN COc1ccc2c(c1)OCC/C(=C/c1ccc(O[C@H](C)C#N)cc1)C2=O ZINC000606443166 1043066673 /nfs/dbraw/zinc/06/66/73/1043066673.db2.gz FNLUPPHBRQGSCP-VQCBNXJZSA-N 0 0 349.386 4.035 50 30 EIEARN Cn1c2ccccc2sc1=NN=C/C(Cl)=C\c1ccccc1 ZINC000606347146 1043067189 /nfs/dbraw/zinc/06/71/89/1043067189.db2.gz IFIRIFLTRRVWJQ-KIDYGHCZSA-N 0 0 327.840 4.406 50 30 EIEARN CC(C)(C)C(=O)Nc1ccncc1C=CC(=O)c1ccc(Cl)cc1 ZINC000606443176 1043067406 /nfs/dbraw/zinc/06/74/06/1043067406.db2.gz NQSQGVKEARUHKL-TWGQIWQCSA-N 0 0 342.826 4.038 50 30 EIEARN Cc1cc(N=C/C=C2\N(C)c3ccccc3C2(C)C)n(CCC#N)n1 ZINC000606347538 1043068165 /nfs/dbraw/zinc/06/81/65/1043068165.db2.gz VYMXUSXHSAITGG-XMPOQPRGSA-N 0 0 333.439 4.119 50 30 EIEARN Cc1ccc(C)c(OC2CCN(C(=O)c3ccc(C#N)cc3C)CC2)c1 ZINC000178616128 1043529279 /nfs/dbraw/zinc/52/92/79/1043529279.db2.gz 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ZINC000055271105 214299281 /nfs/dbraw/zinc/29/92/81/214299281.db2.gz UVYFRNMKJFGBOU-OAHLLOKOSA-N 0 0 339.439 4.370 50 30 EIEARN Cc1cccc(-n2c(N=NC3CCCC3)nc3ccccc3c2=O)c1C ZINC000007864382 201731331 /nfs/dbraw/zinc/73/13/31/201731331.db2.gz KICYOHQSZWNSJR-UHFFFAOYSA-N 0 0 346.434 4.344 50 30 EIEARN CCCn1c(Cc2ccccc2)nnc1SCc1ccc(C#N)cc1 ZINC000009665497 201784603 /nfs/dbraw/zinc/78/46/03/201784603.db2.gz PJGMVGLBPIOSJU-UHFFFAOYSA-N 0 0 348.475 4.443 50 30 EIEARN O=C1CCCC2=C1[C@@H](c1ccncc1)c1c(ccc3ncccc31)N2 ZINC000012375232 201842248 /nfs/dbraw/zinc/84/22/48/201842248.db2.gz AYSPYVHHXPNIKX-IBGZPJMESA-N 0 0 327.387 4.194 50 30 EIEARN CNC(=O)c1ccc(/C=C/C(=O)c2ccc3cccc4c3c2CC4)cc1 ZINC000012910965 201875268 /nfs/dbraw/zinc/87/52/68/201875268.db2.gz BXILXJFKIGAHHK-VGOFMYFVSA-N 0 0 341.410 4.194 50 30 EIEARN C=C(C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000004033432 210104742 /nfs/dbraw/zinc/10/47/42/210104742.db2.gz VEDJOJFRQFSFGQ-HNNXBMFYSA-N 0 0 349.409 4.272 50 30 EIEARN CC(=O)C1=NN(c2ccccc2)[C@@H](C#CC(C)(C)C)N1c1ccccc1 ZINC000003672758 210073282 /nfs/dbraw/zinc/07/32/82/210073282.db2.gz SRDTZRAXBPUPEP-FQEVSTJZSA-N 0 0 345.446 4.291 50 30 EIEARN C=CCOc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 ZINC000002844312 209926629 /nfs/dbraw/zinc/92/66/29/209926629.db2.gz VUZOYUPRVLFUHR-BOPFTXTBSA-N 0 0 339.778 4.249 50 30 EIEARN C=CCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 ZINC000002465731 209853795 /nfs/dbraw/zinc/85/37/95/209853795.db2.gz NHZFITKWLRFXDW-UHFFFAOYSA-N 0 0 328.462 4.342 50 30 EIEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 ZINC000002346563 209842953 /nfs/dbraw/zinc/84/29/53/209842953.db2.gz FZSOVYWLAQLQOU-UHFFFAOYSA-N 0 0 340.473 4.214 50 30 EIEARN N#Cc1cc(C#N)c(S[C@@H](CCC2CC2)c2ccccc2)nc1N ZINC000019772788 202018886 /nfs/dbraw/zinc/01/88/86/202018886.db2.gz IXMJDWHXCICNLY-KRWDZBQOSA-N 0 0 334.448 4.431 50 30 EIEARN C/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000019799775 202021117 /nfs/dbraw/zinc/02/11/17/202021117.db2.gz RXUJMBIGYUEQJD-PXLXIMEGSA-N 0 0 345.849 4.021 50 30 EIEARN N#Cc1c(N)nc2c(c1-c1cc([N+](=O)[O-])ccc1Cl)CCCCC2 ZINC000020328696 202037780 /nfs/dbraw/zinc/03/77/80/202037780.db2.gz AHVZWEVREOTXKU-UHFFFAOYSA-N 0 0 342.786 4.033 50 30 EIEARN Cc1nn(-c2ccc(F)cc2)c2nc(N)c(C#N)c(-c3cccs3)c12 ZINC000020518540 202047994 /nfs/dbraw/zinc/04/79/94/202047994.db2.gz UBLCHLNCMIOPPV-UHFFFAOYSA-N 0 0 349.394 4.050 50 30 EIEARN Cc1nc(N[C@@H](C)Cc2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000020840562 202055778 /nfs/dbraw/zinc/05/57/78/202055778.db2.gz RBRXNMUAENMZRW-AWEZNQCLSA-N 0 0 335.451 4.156 50 30 EIEARN CCC[C@H]1CCc2c(C#N)c(NC(=O)c3c(C)noc3C)sc2C1 ZINC000020581937 202050526 /nfs/dbraw/zinc/05/05/26/202050526.db2.gz AUXQPFYDGQZIOG-LBPRGKRZSA-N 0 0 343.452 4.382 50 30 EIEARN O=C1c2cc(Br)ccc2OCC/C1=C\c1cccc(O)c1 ZINC000023702278 202106678 /nfs/dbraw/zinc/10/66/78/202106678.db2.gz KHCGMLOAUKXNPP-XYOKQWHBSA-N 0 0 345.192 4.204 50 30 EIEARN CCCc1cc(=O)oc2cc(OCCOc3ccc(C#N)cc3)ccc12 ZINC000024093051 202113054 /nfs/dbraw/zinc/11/30/54/202113054.db2.gz ISRDTOWLBZRKEV-UHFFFAOYSA-N 0 0 349.386 4.075 50 30 EIEARN C=CCn1c(SC)nc2sc3c(c2c1=O)CCc1ccccc1-3 ZINC000000506725 209638852 /nfs/dbraw/zinc/63/88/52/209638852.db2.gz JKBPVGUQWHHOIG-UHFFFAOYSA-N 0 0 340.473 4.132 50 30 aggregator EIEARN Cc1nc(C#N)c(NC[C@H](c2ccccc2Cl)N2CCCCC2)o1 ZINC000027794003 202160055 /nfs/dbraw/zinc/16/00/55/202160055.db2.gz GNUXUFYBELUMTN-QGZVFWFLSA-N 0 0 344.846 4.147 50 30 EIEARN Cc1ccc(-c2nc(C#N)c(NC[C@H](c3ccccc3)[NH+](C)C)o2)cc1 ZINC000027990712 202162879 /nfs/dbraw/zinc/16/28/79/202162879.db2.gz OLLQLCDRNHMWCR-LJQANCHMSA-N 0 0 346.434 4.237 50 30 EIEARN CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(C#N)cc3)c12 ZINC000040128406 202172793 /nfs/dbraw/zinc/17/27/93/202172793.db2.gz RVUXTAZXZRIUPO-UHFFFAOYSA-N 0 0 346.390 4.177 50 30 EIEARN O=C(CN1CCC[C@H]1c1ccccc1)Nc1nnc(-c2ccccc2)o1 ZINC000031559879 202206827 /nfs/dbraw/zinc/20/68/27/202206827.db2.gz YMFXDNMNCFMHCY-KRWDZBQOSA-N 0 0 348.406 4.162 50 30 EIEARN O=C(CN1CCC[C@@H]1c1ccccc1)Nc1nnc(-c2ccccc2)o1 ZINC000031559878 202206991 /nfs/dbraw/zinc/20/69/91/202206991.db2.gz YMFXDNMNCFMHCY-QGZVFWFLSA-N 0 0 348.406 4.162 50 30 EIEARN N#C[C@]12CCCC[C@@H]1C[C@@H]1CCCC[C@]1(C#N)N2Cc1ccccn1 ZINC000033318801 202257054 /nfs/dbraw/zinc/25/70/54/202257054.db2.gz CBZQHICWBVVOJL-KOUHRCEDSA-N 0 0 334.467 4.192 50 30 EIEARN Cc1csc([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)n1 ZINC000072273770 202360885 /nfs/dbraw/zinc/36/08/85/202360885.db2.gz HFIPLJHRUAFBAT-QGZVFWFLSA-N 0 0 339.464 4.010 50 30 EIEARN Cc1nc(-c2ccccc2F)sc1C(=O)/C=C/c1csnn1 ZINC000077564254 202392810 /nfs/dbraw/zinc/39/28/10/202392810.db2.gz KVXLZXBLNSASHB-VOTSOKGWSA-N 0 0 331.397 4.005 50 30 EIEARN COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000005670755 201361916 /nfs/dbraw/zinc/36/19/16/201361916.db2.gz XAAZQWRQDFMOOT-QPJJXVBHSA-N 0 0 332.783 4.262 50 30 EIEARN CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C\c1ccccc1Cl)CC2 ZINC000008477217 201363575 /nfs/dbraw/zinc/36/35/75/201363575.db2.gz 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201473309 /nfs/dbraw/zinc/47/33/09/201473309.db2.gz NTVHUOILQOVPNX-DEDYPNTBSA-N 0 0 331.400 4.007 50 30 EIEARN CN(C(=O)c1ccc(SC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000060084019 202779959 /nfs/dbraw/zinc/77/99/59/202779959.db2.gz HWAIPWZPRNOZET-UHFFFAOYSA-N 0 0 336.338 4.447 50 30 EIEARN O=C1CC(c2ccccc2Cl)CC(=O)C1=CNc1ccccc1 ZINC000000449861 201475275 /nfs/dbraw/zinc/47/52/75/201475275.db2.gz ZVHFYRUOLCPLJN-UHFFFAOYSA-N 0 0 325.795 4.352 50 30 EIEARN C/C(=N\OC(=O)c1ccc(Cl)cc1)c1c(C)nc2cc(C)ccn21 ZINC000001390174 201505930 /nfs/dbraw/zinc/50/59/30/201505930.db2.gz UQZWTXXUKARFNN-FYJGNVAPSA-N 0 0 341.798 4.186 50 30 EIEARN O=C(N=C(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000003895222 201583618 /nfs/dbraw/zinc/58/36/18/201583618.db2.gz JPWYUMRJTCTFCD-UHFFFAOYSA-N 0 0 330.343 4.273 50 30 EIEARN Cc1cccc2c(C)cc(SCC(=O)Nc3ccccc3C#N)nc12 ZINC000003534224 201576002 /nfs/dbraw/zinc/57/60/02/201576002.db2.gz VBEXDJMRSXPSHJ-UHFFFAOYSA-N 0 0 347.443 4.454 50 30 EIEARN CC(=C\c1ccccc1)/C=C1/S/C(=N/c2ccc(O)cc2)NC1=O ZINC000004174753 201592301 /nfs/dbraw/zinc/59/23/01/201592301.db2.gz XQKVPVVOIZKNPR-QKIOLIMFSA-N 0 0 336.416 4.230 50 30 EIEARN C=C(C)CSc1nnc([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)o1 ZINC000004313042 201597419 /nfs/dbraw/zinc/59/74/19/201597419.db2.gz UZOFRBHEEZZUOK-RYUDHWBXSA-N 0 0 341.477 4.350 50 30 EIEARN CC[C@@H](C)n1cc(/C=C2\S/C(=N/C)N(C)C2=O)c2ccccc21 ZINC000004739998 201615053 /nfs/dbraw/zinc/61/50/53/201615053.db2.gz RANOBYLUHPFMEU-RBZJIGRUSA-N 0 0 327.453 4.144 50 30 EIEARN N#Cc1cc2c(nc1S[C@@H]1CCc3ccccc3C1=O)CCCC2 ZINC000004978070 201630404 /nfs/dbraw/zinc/63/04/04/201630404.db2.gz PDGBFNZTPAOWIM-GOSISDBHSA-N 0 0 334.444 4.122 50 30 EIEARN COc1ccc(C(=O)/C=C\c2ccc(OC)c(Br)c2)cc1 ZINC000005159078 201641573 /nfs/dbraw/zinc/64/15/73/201641573.db2.gz KNXMWXDQYUJBJW-OQFOIZHKSA-N 0 0 347.208 4.362 50 30 EIEARN CCC[C@H]1CC(=O)C2=C(C1)NN=C(c1ccc(Br)cc1)C2 ZINC000005193983 201642202 /nfs/dbraw/zinc/64/22/02/201642202.db2.gz 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/nfs/dbraw/zinc/12/41/78/212124178.db2.gz KSONJDMGIYZRCM-UHFFFAOYSA-N 0 0 337.539 4.069 50 30 EIEARN Cc1ccccc1SC1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000077454839 203389470 /nfs/dbraw/zinc/38/94/70/203389470.db2.gz WQRDWHWWKMLQCF-UHFFFAOYSA-N 0 0 336.460 4.264 50 30 EIEARN Cn1c(Cl)nc(Cl)c1/C=C1/CSc2ccc(F)cc2C1=O ZINC000096402181 203889715 /nfs/dbraw/zinc/88/97/15/203889715.db2.gz QUNNGZYZMLXKEL-DAXSKMNVSA-N 0 0 343.210 4.238 50 30 EIEARN Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000098009185 203977474 /nfs/dbraw/zinc/97/74/74/203977474.db2.gz AJFHEMMMNSLTNG-SEYXRHQNSA-N 0 0 347.374 4.293 50 30 EIEARN CC1=C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)(C)C=CC1 ZINC000100717830 203995933 /nfs/dbraw/zinc/99/59/33/203995933.db2.gz XDAAXWIEJUEXTD-JXAWBTAJSA-N 0 0 330.344 4.203 50 30 biogenic EIEARN CCOC(=O)c1ccc(NC=C2Sc3ccccc3C2=O)cc1 ZINC000101336257 204005064 /nfs/dbraw/zinc/00/50/64/204005064.db2.gz JMILRGIAPJBAOB-WJDWOHSUSA-N 0 0 325.389 4.105 50 30 EIEARN CCCCCCCCN1C(=O)c2[nH]nc(C)c2[C@@H]1c1ccc(O)cc1 ZINC000101474137 204007539 /nfs/dbraw/zinc/00/75/39/204007539.db2.gz VCVKHYZTYGCUFI-IBGZPJMESA-N 0 0 341.455 4.329 50 30 EIEARN C=CCn1c(-c2ccc(Br)cc2)cnc1SCC#N ZINC000044085271 204294012 /nfs/dbraw/zinc/29/40/12/204294012.db2.gz XTSOQWJDADYRGP-UHFFFAOYSA-N 0 0 334.242 4.114 50 30 EIEARN O=C(O/N=C(\c1ccncc1)c1ccc(Cl)cc1)c1cccs1 ZINC000016430595 211902257 /nfs/dbraw/zinc/90/22/57/211902257.db2.gz QNFUFXYTUZWVRU-SILNSSARSA-N 0 0 342.807 4.406 50 30 EIEARN C=C(C)CSc1nnc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)o1 ZINC000015987373 211873763 /nfs/dbraw/zinc/87/37/63/211873763.db2.gz ZHGDYIDSZRWBSI-GFCCVEGCSA-N 0 0 341.477 4.350 50 30 EIEARN O=c1[nH]c2ccc(N=Cc3ccc(C#Cc4ccccc4)cc3)cc2o1 ZINC000000050971 205398862 /nfs/dbraw/zinc/39/88/62/205398862.db2.gz ATIADPUSYFXURS-HZHRSRAPSA-N 0 0 338.366 4.272 50 30 EIEARN O=C1c2ccccc2S(=O)(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000000481799 205469883 /nfs/dbraw/zinc/46/98/83/205469883.db2.gz LKDNMMPSVCPPEF-AUWJEWJLSA-N 0 0 339.199 4.005 50 30 EIEARN COc1cc(C(=O)/C=C/c2ccc(Br)cc2)ccc1O ZINC000005156302 205754277 /nfs/dbraw/zinc/75/42/77/205754277.db2.gz TXCDZPDGDMZUOT-XBXARRHUSA-N 0 0 333.181 4.059 50 30 EIEARN COc1ccc(Cl)c2sc(NC(=O)c3ccc(C#N)cc3)nc21 ZINC000005256578 205757970 /nfs/dbraw/zinc/75/79/70/205757970.db2.gz GIHGEIVKFWRAGB-UHFFFAOYSA-N 0 0 343.795 4.082 50 30 EIEARN COC[C@H](Nc1cc(C)c(C#N)c2nc3ccccc3n21)c1ccco1 ZINC000170654203 206596936 /nfs/dbraw/zinc/59/69/36/206596936.db2.gz ROEGAKRIHGKUTL-INIZCTEOSA-N 0 0 346.390 4.060 50 30 EIEARN C#CCN1C(=O)S/C(=C\c2cc(C(C)C)c(OCC)cc2C)C1=O ZINC000012411324 211372083 /nfs/dbraw/zinc/37/20/83/211372083.db2.gz LBTDQGSMWDZLGA-BOPFTXTBSA-N 0 0 343.448 4.187 50 30 EIEARN C=CCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S ZINC000012343672 211352288 /nfs/dbraw/zinc/35/22/88/211352288.db2.gz MTKQSZBQFVLMLL-YRNVUSSQSA-N 0 0 330.261 4.381 50 30 EIEARN C=CCSc1ccccc1C(=O)Nc1ccccc1NC(C)=O ZINC000006745371 210698543 /nfs/dbraw/zinc/69/85/43/210698543.db2.gz RQDDZHFSDSRVBL-UHFFFAOYSA-N 0 0 326.421 4.175 50 30 EIEARN Cc1sc2nc(S[C@H](C)C#N)n(C3CCCC3)c(=O)c2c1C ZINC000012802469 207249417 /nfs/dbraw/zinc/24/94/17/207249417.db2.gz JPLMVRYZNLEBPR-SECBINFHSA-N 0 0 333.482 4.194 50 30 EIEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1 ZINC000004903037 210317304 /nfs/dbraw/zinc/31/73/04/210317304.db2.gz XRMGJAURZHNCJQ-QGZVFWFLSA-N 0 0 345.446 4.360 50 30 EIEARN C#CC[C@H](OC(=O)c1sc(-c2ccccc2)nc1C)c1ccccn1 ZINC000068596619 257849441 /nfs/dbraw/zinc/84/94/41/257849441.db2.gz NGXCUGZTMMVXQJ-KRWDZBQOSA-N 0 0 348.427 4.435 50 30 EIEARN CC(=O)[C@]12O[C@@]1(C)C[C@@H]1[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253501527 257998675 /nfs/dbraw/zinc/99/86/75/257998675.db2.gz CBOGURZXXNBKGU-GQRWTZDKSA-N 0 0 346.511 4.117 50 30 EIEARN Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1 ZINC000328587186 258046546 /nfs/dbraw/zinc/04/65/46/258046546.db2.gz DHSJOVRRJSEKHO-UONOGXRCSA-N 0 0 332.407 4.329 50 30 EIEARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C#CCl ZINC000253617513 258014632 /nfs/dbraw/zinc/01/46/32/258014632.db2.gz SCKRQJZQWRFQPI-WZGFBNHNSA-N 0 0 348.914 4.241 50 30 EIEARN C=CCn1c2ccccc2nc1SCc1noc(C(C)(C)C)n1 ZINC000048324131 258015285 /nfs/dbraw/zinc/01/52/85/258015285.db2.gz RFDWGLXWLFEMIF-UHFFFAOYSA-N 0 0 328.441 4.195 50 30 EIEARN O=C(CCc1cccs1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000031081407 258016027 /nfs/dbraw/zinc/01/60/27/258016027.db2.gz PPHGZKXZJIBJIE-UHFFFAOYSA-N 0 0 332.428 4.114 50 30 EIEARN C=CCn1c(C)nnc1SCc1coc(-c2ccc(Cl)cc2)n1 ZINC000012916622 258017278 /nfs/dbraw/zinc/01/72/78/258017278.db2.gz HCWDPCYTLKPIGX-UHFFFAOYSA-N 0 0 346.843 4.373 50 30 EIEARN N#Cc1ccc(NC(=O)N(Cc2ccsc2)C2CCCCC2)cn1 ZINC000299784430 258092098 /nfs/dbraw/zinc/09/20/98/258092098.db2.gz JQUNWAGHJCBZOI-UHFFFAOYSA-N 0 0 340.452 4.382 50 30 EIEARN COc1cccc([C@@H](C)NC(=S)NCc2ccc(Cl)cc2)c1 ZINC000013497323 258056112 /nfs/dbraw/zinc/05/61/12/258056112.db2.gz QTYNOGHLGAXYIX-GFCCVEGCSA-N 0 0 334.872 4.485 50 30 EIEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C ZINC000254102387 258073500 /nfs/dbraw/zinc/07/35/00/258073500.db2.gz NUSUWEUUEXDJDY-PFECNILBSA-N 0 0 342.479 4.149 50 30 EIEARN CN(Cc1ccc(N2CCCCC2)cc1)Cc1cc(C#N)ccc1F ZINC000057473786 132200712 /nfs/dbraw/zinc/20/07/12/132200712.db2.gz HDNXYOQWNLEJTD-UHFFFAOYSA-N 0 0 337.442 4.320 50 30 EIEARN Cc1noc(-c2ccccc2)c1NC(=O)CSc1ccc(C#N)cc1 ZINC000122643892 222130541 /nfs/dbraw/zinc/13/05/41/222130541.db2.gz HBLMZEUEJHYIRV-UHFFFAOYSA-N 0 0 349.415 4.253 50 30 EIEARN C#CC[C@H](Nc1cc(CC)nc(-c2ccccn2)n1)c1ccccc1 ZINC000095441111 518339138 /nfs/dbraw/zinc/33/91/38/518339138.db2.gz HAOPIFMYNBBHMX-SFHVURJKSA-N 0 0 328.419 4.278 50 30 EIEARN C/C(=N\OC(=O)C1CC1)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000001406839 518468210 /nfs/dbraw/zinc/46/82/10/518468210.db2.gz KKCKPHSTRZGZIU-VXLYETTFSA-N 0 0 334.828 4.449 50 30 EIEARN C=C(C)c1nc(C#N)c(N=NCc2ccc(OCCC(C)C)cc2)o1 ZINC000031829602 518648939 /nfs/dbraw/zinc/64/89/39/518648939.db2.gz RYXYGRRUGUOTLO-MTJSOVHGSA-N 0 0 338.411 4.450 50 30 EIEARN C=CCN(CCSc1ccccc1)C(=O)c1ccncc1Cl ZINC000063871068 518775308 /nfs/dbraw/zinc/77/53/08/518775308.db2.gz XYQFTLPGQYNAIN-UHFFFAOYSA-N 0 0 332.856 4.156 50 30 EIEARN C=CCN(Cc1ccc(C(F)(F)F)nc1)Cc1ccccc1OC ZINC000055255224 518778349 /nfs/dbraw/zinc/77/83/49/518778349.db2.gz CREULNSBLMLEJH-UHFFFAOYSA-N 0 0 336.357 4.297 50 30 EIEARN C=CCn1c(C)cc(C(=O)CSc2ncnc3sccc32)c1C ZINC000006115394 519170416 /nfs/dbraw/zinc/17/04/16/519170416.db2.gz SWUFTTYKISGHHJ-UHFFFAOYSA-N 0 0 343.477 4.271 50 30 EIEARN CCCCCCCCCCCCC/C=C\[C@H](O)[C@@H](CO)NC(C)=O ZINC000085605691 519986066 /nfs/dbraw/zinc/98/60/66/519986066.db2.gz BLTCBVOJNNKFKC-LZUVRFFZSA-N 0 0 341.536 4.102 50 30 EIEARN NC(=O)c1cccc(/N=C/c2ccccc2OCc2ccccc2)c1 ZINC000000587400 527074242 /nfs/dbraw/zinc/07/42/42/527074242.db2.gz RDBJRHBIDDFLDW-OEAKJJBVSA-N 0 0 330.387 4.115 50 30 EIEARN O=[N+]([O-])c1cccc(-c2csc(N=NC[C@H]3CC=CCC3)n2)c1 ZINC000004950106 527383356 /nfs/dbraw/zinc/38/33/56/527383356.db2.gz GJPORIPLTWWJBY-VAKHEIKFSA-N 0 0 328.397 4.472 50 30 EIEARN O=[N+]([O-])c1ccc(F)c(/N=C/c2ccc(Br)s2)c1 ZINC000018117029 563848885 /nfs/dbraw/zinc/84/88/85/563848885.db2.gz INRYJDWMBCFEKD-MKMNVTDBSA-N 0 0 329.150 4.309 50 30 EIEARN CCN(CC)c1ccc(/C=N/NC(=S)Nc2cccc(C)c2)cc1 ZINC000000027903 563211601 /nfs/dbraw/zinc/21/16/01/563211601.db2.gz SDUMVMBHAIQPDQ-XSFVSMFZSA-N 0 0 340.496 4.162 50 30 EIEARN Cc1sc(/N=C/c2ccc(Br)s2)c(C(N)=O)c1C ZINC000000054100 563213716 /nfs/dbraw/zinc/21/37/16/563213716.db2.gz WNBKCFFXYWVLHF-PJQLUOCWSA-N 0 0 343.271 4.038 50 30 EIEARN CC[C@@H](C)Oc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OC ZINC000000092160 563222736 /nfs/dbraw/zinc/22/27/36/563222736.db2.gz VISAXFSFKOPNLD-CYBMUJFWSA-N 0 0 336.387 4.335 50 30 EIEARN Cc1ccc(NC(=S)N/N=C2\CSCc3ccccc32)cc1C ZINC000000138481 563241155 /nfs/dbraw/zinc/24/11/55/563241155.db2.gz FQFLYDIRNOSWJR-LVZFUZTISA-N 0 0 341.505 4.241 50 30 EIEARN N#C[C@H](c1ccc([N+](=O)[O-])cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000000168581 563249958 /nfs/dbraw/zinc/24/99/58/563249958.db2.gz QKHYZVNJBQELIN-LLVKDONJSA-N 0 0 341.676 4.317 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C2c3ccccc3CC[C@H]2[C@@H]1c1ccccc1 ZINC000000384113 563300893 /nfs/dbraw/zinc/30/08/93/563300893.db2.gz MBEZJVHYCSPIDX-BVYCBKJFSA-N 0 0 346.426 4.178 50 30 EIEARN COc1cc(C(=O)C=CNc2ccc(Cl)cc2)cc(OC)c1OC ZINC000000459136 563325443 /nfs/dbraw/zinc/32/54/43/563325443.db2.gz LBXGCVDBHJJYNJ-CMDGGOBGSA-N 0 0 347.798 4.174 50 30 EIEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1ccccc1Cl ZINC000002308127 563429102 /nfs/dbraw/zinc/42/91/02/563429102.db2.gz UPKZPSWHNGTULU-GIJQJNRQSA-N 0 0 349.246 4.423 50 30 EIEARN C=CCSC1=N/C(=C\c2cn(C(C)=O)c3ccccc23)C(=O)S1 ZINC000003003471 563469583 /nfs/dbraw/zinc/46/95/83/563469583.db2.gz CBEXTDWSWBGACK-ZROIWOOFSA-N 0 0 342.445 4.191 50 30 EIEARN COc1cc(OC)c(C(=O)/C=C/c2ccccc2Cl)c(OC)c1 ZINC000004100775 563494438 /nfs/dbraw/zinc/49/44/38/563494438.db2.gz VALXXUGYOUKCIH-CMDGGOBGSA-N 0 0 332.783 4.262 50 30 biogenic,in-vitro EIEARN COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000004252530 563498367 /nfs/dbraw/zinc/49/83/67/563498367.db2.gz IQAPXEUYWKSSTF-RUDMXATFSA-N 0 0 332.783 4.262 50 30 EIEARN Cc1sc(N=NCc2ccccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000004363641 563501541 /nfs/dbraw/zinc/50/15/41/563501541.db2.gz ZJBVFYROEBQRDZ-WOJGMQOQSA-N 0 0 338.392 4.473 50 30 EIEARN CCSC1=N/C(=C\c2cc(Cl)c(OC)c(OC)c2)C(=O)S1 ZINC000004755284 563510494 /nfs/dbraw/zinc/51/04/94/563510494.db2.gz JUVVBYXYHUVZDM-POHAHGRESA-N 0 0 343.857 4.081 50 30 EIEARN N=C(NOC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000004802453 563511304 /nfs/dbraw/zinc/51/13/04/563511304.db2.gz RDXOQHXGBPDXJQ-UHFFFAOYSA-N 0 0 343.597 4.124 50 30 EIEARN COc1ccc(/C=C/C(=O)c2cccc(Br)c2)c(OC)c1 ZINC000005068711 563520533 /nfs/dbraw/zinc/52/05/33/563520533.db2.gz INGAAJJTKPAZIR-VQHVLOKHSA-N 0 0 347.208 4.362 50 30 EIEARN Cc1ccc(-c2csc(N=NCc3ccc(F)cc3)n2)c(C)c1 ZINC000005125414 563521346 /nfs/dbraw/zinc/52/13/46/563521346.db2.gz BIYRFJNCQVZDBA-KEBDBYFISA-N 0 0 325.412 4.434 50 30 EIEARN COc1ccc(/C=N/c2oc(C)c(C)c2C#N)cc1Br ZINC000005537586 563537682 /nfs/dbraw/zinc/53/76/82/563537682.db2.gz ONLSFBFJPCHFJE-QGMBQPNBSA-N 0 0 333.185 4.290 50 30 EIEARN COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)c(OC)c1OC ZINC000007743366 563612804 /nfs/dbraw/zinc/61/28/04/563612804.db2.gz POEMZGCWVCWGPI-CSKARUKUSA-N 0 0 326.392 4.225 50 30 EIEARN C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000097385437 563620303 /nfs/dbraw/zinc/62/03/03/563620303.db2.gz OXAQEGPGLKNUSF-AGMBNHQJSA-N 0 0 338.319 4.189 50 30 EIEARN N#CCc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1 ZINC000008126570 563621704 /nfs/dbraw/zinc/62/17/04/563621704.db2.gz ZSHCJIYDFUBSEK-UHFFFAOYSA-N 0 0 332.359 4.177 50 30 EIEARN Cc1ccc(C=NNc2nc3ccccc3[nH]2)cc1Br ZINC000008813852 563640339 /nfs/dbraw/zinc/64/03/39/563640339.db2.gz PKZYTYAZWWTPRV-RQZCQDPDSA-N 0 0 329.201 4.080 50 30 EIEARN N#CCc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1 ZINC000012795091 563672301 /nfs/dbraw/zinc/67/23/01/563672301.db2.gz WRBHQERLDPQDRZ-UHFFFAOYSA-N 0 0 339.445 4.119 50 30 EIEARN Cc1cc(NC(=NC2CC2)c2ccc(F)cc2)n(-c2ccccc2)n1 ZINC000013026639 563685992 /nfs/dbraw/zinc/68/59/92/563685992.db2.gz QHRHOIKZOUKRBC-UHFFFAOYSA-N 0 0 334.398 4.341 50 30 EIEARN COc1cccc(/C=N/c2ccccc2C(=O)Nc2ccccc2)c1O ZINC000013130039 563689979 /nfs/dbraw/zinc/68/99/79/563689979.db2.gz OOILAKSTWCEDAF-HYARGMPZSA-N 0 0 346.386 4.404 50 30 EIEARN C[C@H]1CCC[C@H](C)N1C(=O)c1cccc2c1-c1ccccc1/C2=N\O ZINC000013451595 563698425 /nfs/dbraw/zinc/69/84/25/563698425.db2.gz RWNPHXLIAIBUGH-LCQOSFJGSA-N 0 0 334.419 4.297 50 30 EIEARN Fc1ccc(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)cc1 ZINC000013496527 563699810 /nfs/dbraw/zinc/69/98/10/563699810.db2.gz RVLXBSYISIMSQS-QGMBQPNBSA-N 0 0 342.226 4.453 50 30 EIEARN COc1ccc(CNC(=S)N[C@H](C)CCc2ccccc2)cc1 ZINC000013684649 563710798 /nfs/dbraw/zinc/71/07/98/563710798.db2.gz PKFBVRFKHNBDKJ-OAHLLOKOSA-N 0 0 328.481 4.092 50 30 EIEARN COc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)CC(C)(C)C2 ZINC000013727479 563719189 /nfs/dbraw/zinc/71/91/89/563719189.db2.gz DFOXBZRWJUBHIX-QGZVFWFLSA-N 0 0 338.407 4.192 50 30 EIEARN C=CCN(Cn1nc(C)n(CC=C)c1=S)[C@@H]1CCc2ccccc21 ZINC000032916162 563813958 /nfs/dbraw/zinc/81/39/58/563813958.db2.gz KODFTLTVDRAOSS-GOSISDBHSA-N 0 0 340.496 4.042 50 30 EIEARN COc1ccccc1/C=C1\S/C(=N\c2ccc(C)cc2C)NC1=O ZINC000016661537 563819738 /nfs/dbraw/zinc/81/97/38/563819738.db2.gz FFVGXGBQUNOMAL-BOPFTXTBSA-N 0 0 338.432 4.204 50 30 EIEARN COc1ccc(-c2csc(C(C#N)C(=O)[C@@H]3CC=CCC3)n2)cc1 ZINC000058305088 563942101 /nfs/dbraw/zinc/94/21/01/563942101.db2.gz VYQDGBQCUAQOJP-GDBMZVCRSA-N 0 0 338.432 4.351 50 30 EIEARN CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO)NC(C)=O ZINC000058590836 563946867 /nfs/dbraw/zinc/94/68/67/563946867.db2.gz BLTCBVOJNNKFKC-HEQKZDDYSA-N 0 0 341.536 4.102 50 30 EIEARN CCCCCCCCCCCCOC(=O)CSc1nncn1C ZINC000097961208 563967552 /nfs/dbraw/zinc/96/75/52/563967552.db2.gz QZHFQZNUOFOIBT-UHFFFAOYSA-N 0 0 341.521 4.371 50 30 EIEARN C=CCCCN(C)C(=O)Nc1c(F)cc(F)cc1Br ZINC000097117645 563968082 /nfs/dbraw/zinc/96/80/82/563968082.db2.gz QVBMVTWRKDZCJN-UHFFFAOYSA-N 0 0 333.176 4.157 50 30 EIEARN O=[N+]([O-])c1cc2c(cc1/C=N/c1ccccc1C(F)(F)F)OCO2 ZINC000000058454 563971077 /nfs/dbraw/zinc/97/10/77/563971077.db2.gz YOIYKBSJEGYGHI-FBCYGCLPSA-N 0 0 338.241 4.093 50 30 EIEARN CC(=O)C(=CNc1cc(-c2ccccc2)nn1-c1ccccc1)C(C)=O ZINC000000060401 563971306 /nfs/dbraw/zinc/97/13/06/563971306.db2.gz BMXPYAWOYRTNTL-UHFFFAOYSA-N 0 0 345.402 4.013 50 30 EIEARN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(C)cc1 ZINC000004740722 563972985 /nfs/dbraw/zinc/97/29/85/563972985.db2.gz PGAJZCMWOLHAGZ-SRZZPIQSSA-N 0 0 349.394 4.152 50 30 EIEARN O=C1c2ccccc2OC/C1=C\c1ccc(OCc2ccccn2)cc1 ZINC000044022003 563980793 /nfs/dbraw/zinc/98/07/93/563980793.db2.gz ROFUISCVZUUQIA-GHRIWEEISA-N 0 0 343.382 4.319 50 30 EIEARN CCN1C(=O)CS/C1=N/N=C(\C)c1ccc(-c2ccccc2)cc1 ZINC000100075791 563982132 /nfs/dbraw/zinc/98/21/32/563982132.db2.gz SCLXNPBCMDHVQZ-UCUGPLMPSA-N 0 0 337.448 4.029 50 30 EIEARN CCC(Nc1ccccc1O)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000100509821 563982652 /nfs/dbraw/zinc/98/26/52/563982652.db2.gz VLVSMTNJQKGVTN-UHFFFAOYSA-N 0 0 335.403 4.184 50 30 EIEARN c1ccc(CN=Nc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000004837236 563984230 /nfs/dbraw/zinc/98/42/30/563984230.db2.gz NCKFSFNIXWQMCH-LPYMAVHISA-N 0 0 325.375 4.138 50 30 EIEARN CCOc1ccc2c(c1)S/C(=C\c1ccccc1[N+](=O)[O-])C2=O ZINC000004838131 563984259 /nfs/dbraw/zinc/98/42/59/563984259.db2.gz HHFPTWUSVJGZLQ-SXGWCWSVSA-N 0 0 327.361 4.323 50 30 EIEARN COc1ccc(OCc2nc(C#N)c(NCc3ccc(C)cc3)o2)cc1 ZINC000000108116 563986582 /nfs/dbraw/zinc/98/65/82/563986582.db2.gz VTUVFFOXBQRJNW-UHFFFAOYSA-N 0 0 349.390 4.054 50 30 EIEARN COc1ccc(/C=C2\CC[C@@H](C3CCCC3)C2=O)c(OC)c1OC ZINC000000247825 563989422 /nfs/dbraw/zinc/98/94/22/563989422.db2.gz YISXPLFZLBNYND-GRNBYLDVSA-N 0 0 330.424 4.265 50 30 EIEARN COc1cc(OC)c(OC)cc1/C=C1\CC[C@H](C2CCCC2)C1=O ZINC000000247843 563989425 /nfs/dbraw/zinc/98/94/25/563989425.db2.gz XSCVLDRGNPYDAT-HFQYIWAZSA-N 0 0 330.424 4.265 50 30 EIEARN N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2 ZINC000000380928 563991929 /nfs/dbraw/zinc/99/19/29/563991929.db2.gz VQNYJYKLVWWFQL-UHFFFAOYSA-N 0 0 341.392 4.049 50 30 EIEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccs2)cc1 ZINC000004987364 563993631 /nfs/dbraw/zinc/99/36/31/563993631.db2.gz GXVNNANKMAUPMG-GJZGRUSLSA-N 0 0 337.444 4.061 50 30 EIEARN N#Cc1cc2c(nc1SCC(=O)c1cccc(Cl)c1)CCCC2 ZINC000005127672 563994433 /nfs/dbraw/zinc/99/44/33/563994433.db2.gz FRBNJUBKPACYHU-UHFFFAOYSA-N 0 0 342.851 4.460 50 30 EIEARN N#CCC[C@H](C#N)CN1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000134858917 563996764 /nfs/dbraw/zinc/99/67/64/563996764.db2.gz PZFLKUPTCPQRMA-CQSZACIVSA-N 0 0 333.888 4.340 50 30 EIEARN N#Cc1ccccc1COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005231036 564001387 /nfs/dbraw/zinc/00/13/87/564001387.db2.gz YZZFEICKILMFRF-UHFFFAOYSA-N 0 0 348.314 4.083 50 30 EIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)Cc3ccc(F)cc3)sc2C1 ZINC000005268336 564001968 /nfs/dbraw/zinc/00/19/68/564001968.db2.gz HFFOALGNQFXSMP-LLVKDONJSA-N 0 0 328.412 4.065 50 30 EIEARN CC(C)Cn1c(SCCCC#N)nc2ccc(Cl)cc2c1=O ZINC000005449754 564004118 /nfs/dbraw/zinc/00/41/18/564004118.db2.gz VYZDRCDSXPBNEX-UHFFFAOYSA-N 0 0 335.860 4.102 50 30 EIEARN CC(=O)NC1([C@H]2CCCCC2N=Nc2ccccc2)CCCCC1 ZINC000005296515 564002406 /nfs/dbraw/zinc/00/24/06/564002406.db2.gz MVNWOGDGNANAIL-BUIMCUSZSA-N 0 0 327.472 4.484 50 30 EIEARN CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(C)c1 ZINC000005477935 564004511 /nfs/dbraw/zinc/00/45/11/564004511.db2.gz WVWXHKWDJSCDHS-UHFFFAOYSA-N 0 0 334.448 4.437 50 30 EIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3cccs3)sc2C1 ZINC000005528123 564005014 /nfs/dbraw/zinc/00/50/14/564005014.db2.gz QKUFIIZDDUNMBI-OKPNEXGHSA-N 0 0 328.462 4.458 50 30 EIEARN COc1ccc2nc(Cl)c(/C=N/NCc3ccccc3)cc2c1 ZINC000005533740 564005123 /nfs/dbraw/zinc/00/51/23/564005123.db2.gz DLASUHBJWHJUGE-CIAFOILYSA-N 0 0 325.799 4.021 50 30 EIEARN CSc1ccc(NC(=O)Nc2cc(C)n(CCC#N)n2)cc1Cl ZINC000275734386 564009918 /nfs/dbraw/zinc/00/99/18/564009918.db2.gz KPEHWLQZTBSXAL-UHFFFAOYSA-N 0 0 349.847 4.125 50 30 EIEARN N#Cc1c(N)c(C(=O)c2ccc(F)cc2)sc1Nc1ccccc1 ZINC000000481888 564016475 /nfs/dbraw/zinc/01/64/75/564016475.db2.gz BVAJCTYNRNQCLZ-UHFFFAOYSA-N 0 0 337.379 4.316 50 30 EIEARN CCOc1cc(C=C2CCCC(C(=O)C(F)(F)F)=C2O)ccc1O ZINC000102960862 564020982 /nfs/dbraw/zinc/02/09/82/564020982.db2.gz ADVUXHUTICCYDS-USFYMYEYSA-N 0 0 342.313 4.302 50 30 EIEARN CC(=O)N(c1cccc(Br)c1)c1nc(C)cc(C)c1C#N ZINC000000553061 564022941 /nfs/dbraw/zinc/02/29/41/564022941.db2.gz LWMDRVIFMRNKIX-UHFFFAOYSA-N 0 0 344.212 4.017 50 30 EIEARN CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1Cc1ccco1 ZINC000000567599 564023416 /nfs/dbraw/zinc/02/34/16/564023416.db2.gz MHXSZWHQYPAFRO-UHFFFAOYSA-N 0 0 331.371 4.279 50 30 EIEARN N#Cc1cccc(NC(=O)c2cc(-c3cccc4ccccc43)[nH]n2)c1 ZINC000044838054 564027326 /nfs/dbraw/zinc/02/73/26/564027326.db2.gz NOEVOHYBWZTITL-UHFFFAOYSA-N 0 0 338.370 4.354 50 30 EIEARN COc1ccc(C(=O)C=CNc2c(C)cc(C)cc2C)cc1OC ZINC000044843547 564027427 /nfs/dbraw/zinc/02/74/27/564027427.db2.gz AABKNYWFOXFHSN-CMDGGOBGSA-N 0 0 325.408 4.438 50 30 EIEARN Cc1occc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C ZINC000044917501 564027731 /nfs/dbraw/zinc/02/77/31/564027731.db2.gz DQGPNEPCRYYJGZ-UHFFFAOYSA-N 0 0 333.347 4.208 50 30 EIEARN CC(C)[C@@H](C)NC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000048319996 564030922 /nfs/dbraw/zinc/03/09/22/564030922.db2.gz BKZZCORMDSBVMF-OAHLLOKOSA-N 0 0 337.423 4.303 50 30 EIEARN O=C(/C=C/c1csc(-c2ncccn2)n1)c1ccc(Cl)s1 ZINC000048325502 564030977 /nfs/dbraw/zinc/03/09/77/564030977.db2.gz FQXLPBOEMFWTHG-NSCUHMNNSA-N 0 0 333.825 4.211 50 30 EIEARN Cc1cccc(CCC(=O)[C@H](C#N)c2nc(-c3ccccn3)cs2)c1 ZINC000048314079 564031039 /nfs/dbraw/zinc/03/10/39/564031039.db2.gz JELAGMNULNOJKT-INIZCTEOSA-N 0 0 347.443 4.323 50 30 EIEARN N#Cc1c(COC(=O)c2cc(F)c(F)cc2Cl)cn2ccccc12 ZINC000014897383 564031685 /nfs/dbraw/zinc/03/16/85/564031685.db2.gz RMLSBMYXHMLQQO-UHFFFAOYSA-N 0 0 346.720 4.100 50 30 EIEARN N#Cc1cccc(CNC(=O)c2cc3ccccc3c3cccnc23)c1 ZINC000049654344 564032823 /nfs/dbraw/zinc/03/28/23/564032823.db2.gz OGTJPLFYXROTNO-UHFFFAOYSA-N 0 0 337.382 4.190 50 30 EIEARN CC(C)(O)C#C[C@@](O)(c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000002827426 564036237 /nfs/dbraw/zinc/03/62/37/564036237.db2.gz VICSMWXAVZDNGA-GOSISDBHSA-N 0 0 335.230 4.004 50 30 EIEARN CCOc1cc(C#N)c(NC(=O)c2cccc(Cl)c2)cc1OCC ZINC000001075555 564054302 /nfs/dbraw/zinc/05/43/02/564054302.db2.gz WZAJBHAJSVSEOS-UHFFFAOYSA-N 0 0 344.798 4.261 50 30 EIEARN Cc1nnc(SCc2ncc(-c3ccccc3F)o2)c(C#N)c1C ZINC000182721171 564056409 /nfs/dbraw/zinc/05/64/09/564056409.db2.gz WAKFCUFVBFPREN-UHFFFAOYSA-N 0 0 340.383 4.052 50 30 EIEARN Cc1c2ccc3ccccc3c2oc1C(=O)OC1CCN(CC#N)CC1 ZINC000120755004 564060652 /nfs/dbraw/zinc/06/06/52/564060652.db2.gz ASZCMCYUBDMMKC-UHFFFAOYSA-N 0 0 348.402 4.039 50 30 EIEARN N#Cc1ccc(OC(=O)COc2ccc(Oc3ccccc3)cc2)cc1 ZINC000004070103 564061763 /nfs/dbraw/zinc/06/17/63/564061763.db2.gz AEKCKSCRSZJUQZ-UHFFFAOYSA-N 0 0 345.354 4.335 50 30 EIEARN COc1ccc(Nc2oc(COc3ccc(C)cc3)nc2C#N)cc1 ZINC000004074946 564061800 /nfs/dbraw/zinc/06/18/00/564061800.db2.gz YXCCAWHMAUXKHP-UHFFFAOYSA-N 0 0 335.363 4.186 50 30 EIEARN N#Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccco2)sc2c1CCCCC2 ZINC000084432220 564068132 /nfs/dbraw/zinc/06/81/32/564068132.db2.gz FRYMNIFURUEIGC-QWHCGFSZSA-N 0 0 326.421 4.224 50 30 EIEARN N#Cc1c(NC(=O)[C@H]2C[C@H]2c2ccco2)sc2c1CCCCC2 ZINC000084432212 564068144 /nfs/dbraw/zinc/06/81/44/564068144.db2.gz FRYMNIFURUEIGC-OLZOCXBDSA-N 0 0 326.421 4.224 50 30 EIEARN CC[C@H]1CCc2sc(-c3nnc(SCCC#N)n3C)cc2C1 ZINC000084735496 564069888 /nfs/dbraw/zinc/06/98/88/564069888.db2.gz HCAVSTLTUFQADC-NSHDSACASA-N 0 0 332.498 4.064 50 30 EIEARN Cc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)s1 ZINC000006046500 564072602 /nfs/dbraw/zinc/07/26/02/564072602.db2.gz DOAAVWVATWLKFY-OAHLLOKOSA-N 0 0 346.839 4.221 50 30 EIEARN Cc1ccc(O)c(/C=C2/S/C(=N\c3ccc(Cl)cc3)NC2=O)c1 ZINC000006076330 564073501 /nfs/dbraw/zinc/07/35/01/564073501.db2.gz HTPWNPMTNBZJPV-OQLLNIDSSA-N 0 0 344.823 4.246 50 30 EIEARN C=CCn1c(SCc2ccccc2C#N)nnc1-c1ccccc1O ZINC000013124703 564073752 /nfs/dbraw/zinc/07/37/52/564073752.db2.gz CRWIXPSUBHQPRT-UHFFFAOYSA-N 0 0 348.431 4.001 50 30 EIEARN C=CCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000015508688 564074332 /nfs/dbraw/zinc/07/43/32/564074332.db2.gz RFLKFFHEJPQULP-UHFFFAOYSA-N 0 0 333.403 4.090 50 30 EIEARN C=CCc1cccc2cc(C(=O)Nc3cc(C)ccc3C)c(=O)oc21 ZINC000000105036 564074509 /nfs/dbraw/zinc/07/45/09/564074509.db2.gz CLOUQQOHMRMNTJ-UHFFFAOYSA-N 0 0 333.387 4.391 50 30 EIEARN C=CC[C@]1(O)/C(=C/c2ccccc2)CC[C@]2(CCCO2)[C@@]12CCCO2 ZINC000043763125 564076242 /nfs/dbraw/zinc/07/62/42/564076242.db2.gz ACCJXSBECZTEEL-YMZWOVGZSA-N 0 0 340.463 4.269 50 30 EIEARN C=C[C@]1(C)C[C@@H](OC)[C@]2(C)[C@@H]3C(=O)CC[C@]3(CC[C@@H]2C)[C@@H](C)C1=O ZINC000257359239 564076547 /nfs/dbraw/zinc/07/65/47/564076547.db2.gz ZESCDQYMVQFZRC-AZDNJURJSA-N 0 0 332.484 4.204 50 30 EIEARN C=CCSc1nc(=O)c2c3c(sc2[nH]1)-c1ccccc1CC3 ZINC000017124368 564077279 /nfs/dbraw/zinc/07/72/79/564077279.db2.gz DOGMJWLKMZAIED-UHFFFAOYSA-N 0 0 326.446 4.028 50 30 EIEARN C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc2ccccc2c1 ZINC000012926546 564078541 /nfs/dbraw/zinc/07/85/41/564078541.db2.gz KOAQSSKRLBZIDX-CVEARBPZSA-N 0 0 344.414 4.356 50 30 EIEARN N#Cc1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1 ZINC000006229522 564083079 /nfs/dbraw/zinc/08/30/79/564083079.db2.gz BENHDSIWAGSNPL-UHFFFAOYSA-N 0 0 326.355 4.435 50 30 EIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000006294206 564083664 /nfs/dbraw/zinc/08/36/64/564083664.db2.gz ITBILPQPDBTQNN-GOSISDBHSA-N 0 0 335.403 4.065 50 30 EIEARN Cc1ccc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)s1 ZINC000036832192 564085913 /nfs/dbraw/zinc/08/59/13/564085913.db2.gz BIWRIVAVBRKUPM-ZHACJKMWSA-N 0 0 328.437 4.483 50 30 EIEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1cccc(Cl)c1 ZINC000239203410 564088021 /nfs/dbraw/zinc/08/80/21/564088021.db2.gz SIIWVQBOZMCUKO-UHFFFAOYSA-N 0 0 349.246 4.423 50 30 EIEARN [N-]=[N+]=Nc1cc2c(c(N=[N+]=[N-])c1)C(=O)N(Cc1ccccc1)[S@]2=O ZINC000245255870 564088655 /nfs/dbraw/zinc/08/86/55/564088655.db2.gz MBXOETBBBWBCLU-XMMPIXPASA-N 0 0 339.340 4.249 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C2c3ccccc3CC[C@@H]2[C@H]1c1ccccc1 ZINC000252427968 564089377 /nfs/dbraw/zinc/08/93/77/564089377.db2.gz MBEZJVHYCSPIDX-VLCRHTCISA-N 0 0 346.426 4.178 50 30 EIEARN C[C@]12CC[C@@H]3[C@](C)(CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@H]2C(=O)CO ZINC000253531431 564089511 /nfs/dbraw/zinc/08/95/11/564089511.db2.gz OZKHZCRNQRVNGM-MYXQZSHFSA-N 0 0 344.495 4.086 50 30 EIEARN CCOc1ccc2ncc(C#N)c(NCc3cccc(OC)c3)c2c1 ZINC000064438776 564091305 /nfs/dbraw/zinc/09/13/05/564091305.db2.gz COWFNPMHSJEVQZ-UHFFFAOYSA-N 0 0 333.391 4.126 50 30 EIEARN C=C(C)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F ZINC000006514328 564091368 /nfs/dbraw/zinc/09/13/68/564091368.db2.gz CWSAJVQLYKDDOW-UHFFFAOYSA-N 0 0 344.386 4.332 50 30 EIEARN CC1CCC(Nc2c(-c3ccc(F)cc3)nc3c(C#N)c[nH]n32)CC1 ZINC000006768556 564097440 /nfs/dbraw/zinc/09/74/40/564097440.db2.gz MGXDLHGWLBRMBP-UHFFFAOYSA-N 0 0 337.402 4.331 50 30 EIEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(Cl)s1 ZINC000007044020 564103633 /nfs/dbraw/zinc/10/36/33/564103633.db2.gz KPPNOLPVPWSNKZ-XFFZJAGNSA-N 0 0 338.816 4.432 50 30 EIEARN Cc1nnc(Nc2ccc3c(c2)OC2(CCCCC2)O3)c(C#N)c1C ZINC000170591667 564108810 /nfs/dbraw/zinc/10/88/10/564108810.db2.gz MWQITSCNXYJCPG-UHFFFAOYSA-N 0 0 336.395 4.140 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1cccc(F)c1 ZINC000170615264 564110023 /nfs/dbraw/zinc/11/00/23/564110023.db2.gz RTOKJBUJALOTRM-FUHWJXTLSA-N 0 0 344.407 4.207 50 30 EIEARN Cc1c(NC(=O)N(C)Cc2ccc(C#N)cc2)cccc1OC(F)F ZINC000071854995 564111371 /nfs/dbraw/zinc/11/13/71/564111371.db2.gz CAYWRULDLAISBO-UHFFFAOYSA-N 0 0 345.349 4.132 50 30 EIEARN N#Cc1c(CSc2n[nH]c(-c3ccccc3F)n2)cn2ccccc12 ZINC000014042680 564112156 /nfs/dbraw/zinc/11/21/56/564112156.db2.gz IENRPWYAMKGXCM-UHFFFAOYSA-N 0 0 349.394 4.027 50 30 EIEARN Cc1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)cc1 ZINC000005968172 564112431 /nfs/dbraw/zinc/11/24/31/564112431.db2.gz SVIMODIARCZUGE-VCHYOVAHSA-N 0 0 328.828 4.078 50 30 EIEARN C=CCc1ccccc1OCCOc1c(Cl)cc(C=O)cc1OC ZINC000002874496 564117079 /nfs/dbraw/zinc/11/70/79/564117079.db2.gz WXWSXPYERYCAQD-UHFFFAOYSA-N 0 0 346.810 4.347 50 30 EIEARN O=C(Nc1ccccc1)c1ccccc1N=Cc1ccc2c(c1)OCO2 ZINC000252462253 564118745 /nfs/dbraw/zinc/11/87/45/564118745.db2.gz RAHUHZHZIJECLH-UHFFFAOYSA-N 0 0 344.370 4.418 50 30 EIEARN N#C[C@@H]1CCC[C@H](Nc2ccc(Cc3nnc4n3CCCCC4)cc2)C1 ZINC000193294294 564119187 /nfs/dbraw/zinc/11/91/87/564119187.db2.gz HDLXAUZJGRIGNZ-MJGOQNOKSA-N 0 0 349.482 4.090 50 30 EIEARN CCOc1cc(C=Nc2sc3c(c2C#N)CCCC3)ccc1O ZINC000252593011 564120995 /nfs/dbraw/zinc/12/09/95/564120995.db2.gz BHSJJKLQFLWLIE-UHFFFAOYSA-N 0 0 326.421 4.353 50 30 EIEARN COc1ccc(N=Cc2ccc3[nH]c(-c4ccncc4)nc3c2)cc1 ZINC000252619107 564122260 /nfs/dbraw/zinc/12/22/60/564122260.db2.gz LMLQEADEIVXLLJ-UHFFFAOYSA-N 0 0 328.375 4.384 50 30 EIEARN C=C[C@H](CCN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000252626858 564123356 /nfs/dbraw/zinc/12/33/56/564123356.db2.gz RHBSKIAGHCMHAJ-CYBMUJFWSA-N 0 0 340.339 4.261 50 30 EIEARN Cc1nc(COc2ccccc2C(=O)Nc2cccc(C#N)c2)cs1 ZINC000007921098 564125461 /nfs/dbraw/zinc/12/54/61/564125461.db2.gz RUUUZAWYERYDLZ-UHFFFAOYSA-N 0 0 349.415 4.155 50 30 EIEARN C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000253427620 564131200 /nfs/dbraw/zinc/13/12/00/564131200.db2.gz CUZZSSDGHPERLP-ZWKOTPCHSA-N 0 0 342.483 4.429 50 30 EIEARN COc1ccc([C@@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)CCC3)cc1 ZINC000002324744 564132315 /nfs/dbraw/zinc/13/23/15/564132315.db2.gz OJUSJFHTKNRQGR-SFHVURJKSA-N 0 0 347.414 4.223 50 30 EIEARN Cc1ccc(C(=O)CSc2nc3c(cc2C#N)CCCC3)c(C)c1 ZINC000000058762 564132714 /nfs/dbraw/zinc/13/27/14/564132714.db2.gz AGDQOQIUCMYKBU-UHFFFAOYSA-N 0 0 336.460 4.424 50 30 EIEARN COc1ccccc1-c1c(C#N)c(OC)nc2c1CCc1ccccc1-2 ZINC000000103126 564132859 /nfs/dbraw/zinc/13/28/59/564132859.db2.gz UJUXEZPFNUETCL-UHFFFAOYSA-N 0 0 342.398 4.403 50 30 EIEARN Cc1ccc(CNc2oc(COc3cccc(C)c3)nc2C#N)cc1 ZINC000000108090 564132863 /nfs/dbraw/zinc/13/28/63/564132863.db2.gz GTLNMLRXKKERPU-UHFFFAOYSA-N 0 0 333.391 4.354 50 30 EIEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3c(F)cccc3F)sc2C1 ZINC000000484210 564133303 /nfs/dbraw/zinc/13/33/03/564133303.db2.gz HVQZFCRCKCXUHD-VIFPVBQESA-N 0 0 332.375 4.275 50 30 EIEARN COc1ccccc1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000000620145 564133514 /nfs/dbraw/zinc/13/35/14/564133514.db2.gz NUFKOAJLJBAJFA-UHFFFAOYSA-N 0 0 340.448 4.078 50 30 EIEARN Cc1csc(Cl)c1NC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000585123676 564134029 /nfs/dbraw/zinc/13/40/29/564134029.db2.gz HTTYWIYVBWLPBJ-UHFFFAOYSA-N 0 0 345.855 4.366 50 30 EIEARN CCC(C#CCN1CCCC[C@H]1c1cccnc1)(CC)OCCC#N ZINC000055246711 564134608 /nfs/dbraw/zinc/13/46/08/564134608.db2.gz RIVTVWBERKXSNN-FQEVSTJZSA-N 0 0 339.483 4.101 50 30 EIEARN Cc1ccc(C#N)c(NCc2cccnc2Oc2ccccc2F)n1 ZINC000067712882 564134910 /nfs/dbraw/zinc/13/49/10/564134910.db2.gz STFDZJUSOMUGHL-UHFFFAOYSA-N 0 0 334.354 4.200 50 30 EIEARN N#Cc1c(NC(=O)COc2ccc3ccccc3c2)sc2c1CCC2 ZINC000012787685 564135547 /nfs/dbraw/zinc/13/55/47/564135547.db2.gz TUDZIAAOEMFAMZ-UHFFFAOYSA-N 0 0 348.427 4.279 50 30 EIEARN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCCOCC3)c2)C1 ZINC000328587097 564136565 /nfs/dbraw/zinc/13/65/65/564136565.db2.gz XWWWHNFRJRSFPS-VQIMIIECSA-N 0 0 346.471 4.050 50 30 EIEARN Cc1cnc(CNC(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)s1 ZINC000328590154 564136705 /nfs/dbraw/zinc/13/67/05/564136705.db2.gz WPAHOMGISRFHSB-MRXNPFEDSA-N 0 0 349.843 4.145 50 30 EIEARN CCOc1cccc2[nH]cc(CC(=O)N[C@H]3C[C@@H]3c3cccnc3)c21 ZINC000328591365 564136730 /nfs/dbraw/zinc/13/67/30/564136730.db2.gz QVKLUUXLLRONPN-WBVHZDCISA-N 0 0 335.407 4.017 50 30 EIEARN O=C(Nc1ccccc1O[C@H]1CCOC1)c1cc(O)c2ccccc2c1 ZINC000328594298 564136819 /nfs/dbraw/zinc/13/68/19/564136819.db2.gz VMVLSTVQGCVHIZ-INIZCTEOSA-N 0 0 349.386 4.349 50 30 EIEARN C[C@H](NC(=O)N(Cc1ccccc1)CC(F)F)c1cccc(C#N)c1 ZINC000095413569 564139714 /nfs/dbraw/zinc/13/97/14/564139714.db2.gz DUJBZAZMROKAKD-AWEZNQCLSA-N 0 0 343.377 4.096 50 30 EIEARN N#Cc1cccc(NCc2cn(-c3cccc(Cl)c3Cl)nn2)c1 ZINC000095456995 564140627 /nfs/dbraw/zinc/14/06/27/564140627.db2.gz RZPAGMUARVWABQ-UHFFFAOYSA-N 0 0 344.205 4.058 50 30 EIEARN CC(=O)Nc1cccc(C(=O)/C=C\c2csc(-c3ccco3)n2)c1 ZINC000096310928 564146723 /nfs/dbraw/zinc/14/67/23/564146723.db2.gz UGMJEBLPUGJVPY-FPLPWBNLSA-N 0 0 338.388 4.258 50 30 EIEARN CC(=NNc1ccccc1)c1cc2c(C)c(C)c(=O)oc2c(C)c1O ZINC000096343764 564146823 /nfs/dbraw/zinc/14/68/23/564146823.db2.gz YVOAUEYNOFKJTQ-STZFKDTASA-N 0 0 336.391 4.260 50 30 EIEARN N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NCCOc1ccccc1 ZINC000096346342 564146845 /nfs/dbraw/zinc/14/68/45/564146845.db2.gz LBEOIXFUNZCBPM-QZTJIDSGSA-N 0 0 345.402 4.308 50 30 EIEARN COc1cc(/C=C2\Oc3cc(C)c(Cl)c(C)c3C2=O)ccc1O ZINC000299738237 564150468 /nfs/dbraw/zinc/15/04/68/564150468.db2.gz LWEMEEGSPSQGQI-NVNXTCNLSA-N 0 0 330.767 4.287 50 30 EIEARN COc1cc(/C=C2\Oc3c(cc(Cl)cc3Cl)C2=O)ccc1O ZINC000299738327 564150470 /nfs/dbraw/zinc/15/04/70/564150470.db2.gz WEZHAWFFWSSBEN-RZNTYIFUSA-N 0 0 337.158 4.324 50 30 EIEARN C[C@@H](Oc1ccc(Cl)cc1Cl)c1ccnc2c(C#N)cnn21 ZINC000003016195 564154368 /nfs/dbraw/zinc/15/43/68/564154368.db2.gz YFEZKZXZKXOOQB-SECBINFHSA-N 0 0 333.178 4.048 50 30 EIEARN CCCCC[C@@H]1SC(NN=Cc2ccc(C(C)C)cc2)=NC1=O ZINC000003079902 564155014 /nfs/dbraw/zinc/15/50/14/564155014.db2.gz IXAOFSQUORFHHG-QUYZQLMHSA-N 0 0 331.485 4.312 50 30 EIEARN O=C([O-])CCCCCCCCC#CC#CCCCC[n+]1ccccc1 ZINC000003218509 564156129 /nfs/dbraw/zinc/15/61/29/564156129.db2.gz WXXUJXQUQWGZHT-UHFFFAOYSA-O 0 0 340.487 4.357 50 30 EIEARN N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1 ZINC000003438552 564158148 /nfs/dbraw/zinc/15/81/48/564158148.db2.gz NAGJTRRPGLDQRS-UHFFFAOYSA-N 0 0 339.826 4.454 50 30 EIEARN N#CC1(NC(=O)COc2ccc3oc4ccccc4c3c2)CCCCC1 ZINC000003452171 564158242 /nfs/dbraw/zinc/15/82/42/564158242.db2.gz YKUMUGMEOQIQDH-UHFFFAOYSA-N 0 0 348.402 4.307 50 30 EIEARN COc1ccccc1-c1cccc(C(=O)N2CCC[C@](C)(C#N)C2)c1 ZINC000670457311 564160322 /nfs/dbraw/zinc/16/03/22/564160322.db2.gz PVERALPZEFMLGC-OAQYLSRUSA-N 0 0 334.419 4.128 50 30 EIEARN C=C(C)CSc1nnc2c3sc4nc(C)cc(C)c4c3ncn12 ZINC000032073637 564160619 /nfs/dbraw/zinc/16/06/19/564160619.db2.gz BYGQEOIMVPBKIZ-UHFFFAOYSA-N 0 0 341.465 4.172 50 30 EIEARN Cc1ccccc1OCc1nc(C#N)c(NCCc2ccccc2)o1 ZINC000004168366 564160955 /nfs/dbraw/zinc/16/09/55/564160955.db2.gz UUHVFMQPVRCWEW-UHFFFAOYSA-N 0 0 333.391 4.088 50 30 EIEARN N#Cc1ccc(OCC(=O)Nc2ccccc2NC2CCCCC2)cc1 ZINC000008026293 564162238 /nfs/dbraw/zinc/16/22/38/564162238.db2.gz NMMLUQQASDAFRH-UHFFFAOYSA-N 0 0 349.434 4.320 50 30 EIEARN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCCCCC1 ZINC000008119220 564162799 /nfs/dbraw/zinc/16/27/99/564162799.db2.gz HTEQKGIUBWOSSG-CQSZACIVSA-N 0 0 345.512 4.092 50 30 EIEARN N#Cc1ccc(Sc2nnc(C3CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000008778180 564167430 /nfs/dbraw/zinc/16/74/30/564167430.db2.gz CDSQDLWHFBDRNG-UHFFFAOYSA-N 0 0 330.369 4.048 50 30 EIEARN CO[C@@H](C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1 ZINC000069581099 564170649 /nfs/dbraw/zinc/17/06/49/564170649.db2.gz KCIHZVZIDNFLIR-RDTXWAMCSA-N 0 0 340.448 4.265 50 30 EIEARN Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccccc2C#N)n1 ZINC000009306528 564172448 /nfs/dbraw/zinc/17/24/48/564172448.db2.gz SSLNONZMCLATTL-UHFFFAOYSA-N 0 0 333.338 4.444 50 30 EIEARN Cc1cc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2ccccc12 ZINC000009470604 564173826 /nfs/dbraw/zinc/17/38/26/564173826.db2.gz OOHYIRVNNIZAHS-AUUYWEPGSA-N 0 0 341.480 4.078 50 30 EIEARN C[C@H](C(=O)N(C)CCC#N)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000009547774 564174111 /nfs/dbraw/zinc/17/41/11/564174111.db2.gz RVWQDRLCOOLCEC-LBPRGKRZSA-N 0 0 339.826 4.450 50 30 EIEARN Cc1nn(C2CCCC2)cc1/C=C/C(=O)c1cc2ccccc2oc1=O ZINC000071784832 564175269 /nfs/dbraw/zinc/17/52/69/564175269.db2.gz JMDWPMRGSZEYGO-ZHACJKMWSA-N 0 0 348.402 4.309 50 30 EIEARN N#Cc1cc2c(nc1Sc1ncccc1[N+](=O)[O-])CCCCCC2 ZINC000013575694 568421597 /nfs/dbraw/zinc/42/15/97/568421597.db2.gz XQNQTHLTNPTXJW-UHFFFAOYSA-N 0 0 340.408 4.067 50 30 EIEARN O=C1c2ccccc2OC/C1=C/c1ccc(Br)cc1F ZINC000049524957 1018813234 /nfs/dbraw/zinc/81/32/34/1018813234.db2.gz FDDVPMYKPJTQSU-XFFZJAGNSA-N 0 0 333.156 4.247 50 30 EIEARN O=C(Nc1cccc2ccccc21)OCC#Cc1ccc([N+](=O)[O-])cc1 ZINC000023634012 1022701621 /nfs/dbraw/zinc/70/16/21/1022701621.db2.gz OQBIQFUZLDCAIH-UHFFFAOYSA-N 0 0 346.342 4.348 50 30 EIEARN O=C(/C=C\c1ccc(N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000098053761 1023227894 /nfs/dbraw/zinc/22/78/94/1023227894.db2.gz RDLNYZMVSPEVOC-XFXZXTDPSA-N 0 0 336.391 4.481 50 30 EIEARN Cc1ccc(/C=C/C(=O)c2ccc(F)cc2N(C)C)cc1[N+](=O)[O-] ZINC000079105032 1027821375 /nfs/dbraw/zinc/82/13/75/1027821375.db2.gz UEOMULJWJOUHNK-RMKNXTFCSA-N 0 0 328.343 4.004 50 30 EIEARN COc1cccc(C2(NC(=O)N[C@H](C)c3cccc(C#N)c3)CCC2)c1 ZINC000596437361 1029246203 /nfs/dbraw/zinc/24/62/03/1029246203.db2.gz WTTDYPNXTLTGPQ-OAHLLOKOSA-N 0 0 349.434 4.006 50 30 EIEARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(O)=C(C=O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257354983 1034627811 /nfs/dbraw/zinc/62/78/11/1034627811.db2.gz ICMWWNHDUZJFDW-CAFPNPTASA-N 0 0 332.484 4.401 50 30 EIEARN Cc1[nH]c2ccccc2c1C=NNC(=S)Nc1ccc(C)cc1C ZINC000254480631 1038010367 /nfs/dbraw/zinc/01/03/67/1038010367.db2.gz ALZJWNISLNIQLT-UHFFFAOYSA-N 0 0 336.464 4.414 50 30 EIEARN Cc1ccc(/C=C2/CSc3c(F)cccc3C2=O)cc1[N+](=O)[O-] ZINC000084190155 1041068971 /nfs/dbraw/zinc/06/89/71/1041068971.db2.gz GYSCSQDCJKOJCH-GHXNOFRVSA-N 0 0 329.352 4.414 50 30 EIEARN C=CCC(C)(C)C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000452531195 1043448688 /nfs/dbraw/zinc/44/86/88/1043448688.db2.gz LSMAJQCEFIBLOR-UHFFFAOYSA-N 0 0 346.418 4.470 50 30 EIEARN CCN(CC)c1ccc(C=NNC(=S)Nc2cccc(C)c2)cc1 ZINC000252462426 1044709034 /nfs/dbraw/zinc/70/90/34/1044709034.db2.gz SDUMVMBHAIQPDQ-UHFFFAOYSA-N 0 0 340.496 4.162 50 30 EIEARN C=C(C)COc1ccc(NC(=O)[C@@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000952961609 1049682072 /nfs/dbraw/zinc/68/20/72/1049682072.db2.gz GEVIQKRCSILYQA-LJQANCHMSA-N 0 0 342.414 4.022 50 30 EIEARN CCc1ccc([C@@H](NC(=O)COc2ccc(C#N)cc2)C(C)C)cc1 ZINC000006789913 201697527 /nfs/dbraw/zinc/69/75/27/201697527.db2.gz BRYVRAINSRXBAM-NRFANRHFSA-N 0 0 336.435 4.013 50 30 EIEARN C=C(C)COc1cccc(C(=O)Nc2c(C)cnn2[C@@H](C)C2CC2)c1 ZINC000055271103 214298819 /nfs/dbraw/zinc/29/88/19/214298819.db2.gz UVYFRNMKJFGBOU-HNNXBMFYSA-N 0 0 339.439 4.370 50 30 EIEARN N#Cc1ccc(C(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1 ZINC000006923530 201706584 /nfs/dbraw/zinc/70/65/84/201706584.db2.gz JMVLRDSHYSYXMU-FMIVXFBMSA-N 0 0 325.371 4.376 50 30 EIEARN C=CCN1C(=O)/C(=C\C=C2/Sc3ccccc3N2C)SC1=S ZINC000004579142 210224621 /nfs/dbraw/zinc/22/46/21/210224621.db2.gz QXPJRQXNDYIIPF-MGDWIPCISA-N 0 0 346.502 4.000 50 30 EIEARN N#Cc1cccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c1 ZINC000008583006 201753077 /nfs/dbraw/zinc/75/30/77/201753077.db2.gz WQWAYCDAZHSWSG-UHFFFAOYSA-N 0 0 346.781 4.084 50 30 EIEARN CCCCC1CCC(C(=O)OCC(=O)Nc2sccc2C#N)CC1 ZINC000003365820 210018345 /nfs/dbraw/zinc/01/83/45/210018345.db2.gz YZIHEXHSJXSQJB-UHFFFAOYSA-N 0 0 348.468 4.098 50 30 EIEARN C#CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC=C)C1=O ZINC000002830245 209924332 /nfs/dbraw/zinc/92/43/32/209924332.db2.gz XTUQHZIRZPKNPQ-AQTBWJFISA-N 0 0 349.411 4.074 50 30 EIEARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000005073145 563520495 /nfs/dbraw/zinc/52/04/95/563520495.db2.gz ZWAGPOACPKMRNZ-RMKNXTFCSA-N 0 0 332.153 4.253 50 30 EIEARN C=CCN(CC(=O)Nc1c(C)cccc1CC)C(=O)SCCC ZINC000002182804 209826869 /nfs/dbraw/zinc/82/68/69/209826869.db2.gz NWPWVXXMEDJJBH-UHFFFAOYSA-N 0 0 334.485 4.247 50 30 EIEARN C=CCn1cnc2scc(-c3ccc(OCCC)cc3)c2c1=O ZINC000001911983 209805337 /nfs/dbraw/zinc/80/53/37/209805337.db2.gz QDUDMTQFQPFOSQ-UHFFFAOYSA-N 0 0 326.421 4.100 50 30 EIEARN N#Cc1ccc(NC(=O)c2ccccc2SC[C@@H]2CCCO2)cc1 ZINC000019309785 202004416 /nfs/dbraw/zinc/00/44/16/202004416.db2.gz HYNZBNYIFXTQFR-INIZCTEOSA-N 0 0 338.432 4.082 50 30 EIEARN Cc1sc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1[N+](=O)[O-] ZINC000019732890 202016913 /nfs/dbraw/zinc/01/69/13/202016913.db2.gz FBSYBFQHNSGBNS-UHFFFAOYSA-N 0 0 342.424 4.140 50 30 EIEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@H](c3cccs3)[C@H]12 ZINC000019830957 202022936 /nfs/dbraw/zinc/02/29/36/202022936.db2.gz VNQPVGLEMOTYAH-ROUUACIJSA-N 0 0 333.412 4.154 50 30 EIEARN COc1cc(/C=C/C(=O)c2ccc(SC)cc2)cc(OC)c1OC ZINC000019926864 202026056 /nfs/dbraw/zinc/02/60/56/202026056.db2.gz RYNQDMYNQOFGJT-BJMVGYQFSA-N 0 0 344.432 4.330 50 30 EIEARN CCN1C/C(=C\c2ccc(F)cc2)C(=O)/C(=C\c2ccc(F)cc2)C1 ZINC000020115517 202032852 /nfs/dbraw/zinc/03/28/52/202032852.db2.gz DTBIYAAYPAYSJW-MJZABRMRSA-N 0 0 339.385 4.336 50 30 EIEARN CCc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000020189899 202034862 /nfs/dbraw/zinc/03/48/62/202034862.db2.gz HGLDJSGZLODAKS-PXLXIMEGSA-N 0 0 341.886 4.054 50 30 EIEARN C[C@H]1C[C@H](C)CN(c2oc(/C=C/c3ccc(F)cc3)nc2C#N)C1 ZINC000020446598 202042909 /nfs/dbraw/zinc/04/29/09/202042909.db2.gz MQOHWBIUCZQJEN-NSDHSQQOSA-N 0 0 325.387 4.338 50 30 EIEARN CCC[C@@H]1CCc2c(C#N)c(NC(=O)c3c(C)noc3C)sc2C1 ZINC000020581933 202049724 /nfs/dbraw/zinc/04/97/24/202049724.db2.gz AUXQPFYDGQZIOG-GFCCVEGCSA-N 0 0 343.452 4.382 50 30 EIEARN N#Cc1c(NC[C@@H]2CCCO2)nc(-c2ccccc2)c2c1CCCC2 ZINC000020589487 202049900 /nfs/dbraw/zinc/04/99/00/202049900.db2.gz JBBZUNGXFWVKHJ-INIZCTEOSA-N 0 0 333.435 4.090 50 30 EIEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(OCc2cscn2)cc1 ZINC000024972708 202124400 /nfs/dbraw/zinc/12/44/00/202124400.db2.gz KCSKQDHLBAJAMC-UHFFFAOYSA-N 0 0 347.395 4.185 50 30 EIEARN CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1ccc(F)cc1Cl ZINC000028915623 202179103 /nfs/dbraw/zinc/17/91/03/202179103.db2.gz ZGHFLYOKCFLTCA-CHHVJCJISA-N 0 0 341.835 4.011 50 30 EIEARN O=C(C(C(=O)c1ccccc1)=C1SCCS1)c1ccccc1 ZINC000029242506 202182739 /nfs/dbraw/zinc/18/27/39/202182739.db2.gz XILIJTODMPBTMA-UHFFFAOYSA-N 0 0 326.442 4.444 50 30 EIEARN CC(=O)c1sc(N=NCc2ccc(Cl)c(Cl)c2)nc1C ZINC000031857566 202210836 /nfs/dbraw/zinc/21/08/36/202210836.db2.gz QKBQCCRRABUXDG-SOFYXZRVSA-N 0 0 328.224 4.407 50 30 EIEARN CSc1nc(C2CC2)cc(C(=O)Nc2cc(F)cc(F)c2)c1C#N ZINC000031940916 202214704 /nfs/dbraw/zinc/21/47/04/202214704.db2.gz ZVCZPPRNKCBEEE-UHFFFAOYSA-N 0 0 345.374 4.083 50 30 EIEARN CC1(C)Cc2nc(OCc3ccccc3Cl)c(C#N)cc2CO1 ZINC000032102156 202221063 /nfs/dbraw/zinc/22/10/63/202221063.db2.gz WCVLBPFVHSUWBH-UHFFFAOYSA-N 0 0 328.799 4.037 50 30 EIEARN Cc1ncsc1C(=O)/C=C/c1c(C)nn(-c2ccccc2)c1Cl ZINC000032912827 202242090 /nfs/dbraw/zinc/24/20/90/202242090.db2.gz GRICLGGZYKKJTH-CMDGGOBGSA-N 0 0 343.839 4.495 50 30 EIEARN CCNc1oc(-c2ccc(COc3cc(C)ccc3C)o2)nc1C#N ZINC000033026981 202247716 /nfs/dbraw/zinc/24/77/16/202247716.db2.gz SBFFILXTCROEKI-UHFFFAOYSA-N 0 0 337.379 4.434 50 30 EIEARN CNc1oc(-c2ccc(COc3ccccc3Cl)o2)nc1C#N ZINC000033324432 202258085 /nfs/dbraw/zinc/25/80/85/202258085.db2.gz YKXPYRWTFKXNFJ-UHFFFAOYSA-N 0 0 329.743 4.080 50 30 EIEARN COc1ccc(/C=C\C(=O)c2c(C)nn3c4ccccc4n(C)c23)cc1 ZINC000033402861 202260204 /nfs/dbraw/zinc/26/02/04/202260204.db2.gz KKELRKQOQNLWBC-RAXLEYEMSA-N 0 0 345.402 4.039 50 30 EIEARN Cc1ccc(C(=O)/C=C\c2c(Cl)n(C)nc2C(F)(F)F)cc1 ZINC000033376508 202259443 /nfs/dbraw/zinc/25/94/43/202259443.db2.gz RCFPJDVYDKRNBH-FPLPWBNLSA-N 0 0 328.721 4.297 50 30 EIEARN COc1cc(/C=C2/CCc3c(C)cc(C)cc3C2=O)ccc1OCC#N ZINC000033527898 212953736 /nfs/dbraw/zinc/95/37/36/212953736.db2.gz KKYTVTSDDVQXAB-ATVHPVEESA-N 0 0 347.414 4.427 50 30 EIEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1ccc(C)cc1)O2 ZINC000036065975 202312557 /nfs/dbraw/zinc/31/25/57/202312557.db2.gz AKRQFJOAPRSHKS-XDHOZWIPSA-N 0 0 337.419 4.159 50 30 EIEARN CCOc1ccc(/C=C2\Oc3cc(OC(=O)CC)ccc3C2=O)cc1 ZINC000009306646 201363762 /nfs/dbraw/zinc/36/37/62/201363762.db2.gz OKTSJSYXFZYMEX-WQRHYEAKSA-N 0 0 338.359 4.017 50 30 biogenic EIEARN C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)c2ccccc2)cc1OC ZINC000096402999 201377122 /nfs/dbraw/zinc/37/71/22/201377122.db2.gz IWQLIRACBOKQBJ-KVNDZABWSA-N 0 0 337.419 4.151 50 30 EIEARN C[C@H](Nc1snc(Cl)c1C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000051823604 202643072 /nfs/dbraw/zinc/64/30/72/202643072.db2.gz MJDWPOKQVUNVEO-VIFPVBQESA-N 0 0 346.843 4.190 50 30 EIEARN N#Cc1ccccc1OCC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000058344218 202758485 /nfs/dbraw/zinc/75/84/85/202758485.db2.gz JPHTWISDIZSZFK-UHFFFAOYSA-N 0 0 342.354 4.475 50 30 EIEARN N#Cc1cc2c(nc1SCc1ccc([N+](=O)[O-])cc1)CCCCC2 ZINC000000103134 201435428 /nfs/dbraw/zinc/43/54/28/201435428.db2.gz SSCMJJUYBQGICG-UHFFFAOYSA-N 0 0 339.420 4.423 50 30 EIEARN N#Cc1c2c(sc1-n1ncnc1-c1cccs1)CCCCC2 ZINC000000181012 201445687 /nfs/dbraw/zinc/44/56/87/201445687.db2.gz 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EIEARN CS[C@H](C)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000069702504 203038328 /nfs/dbraw/zinc/03/83/28/203038328.db2.gz AKGAQUMYGIDFRE-VXNVDRBHSA-N 0 0 344.383 4.243 50 30 EIEARN CC(C)Oc1ccccc1-c1cc(-c2cccnc2)c(C#N)c(N)n1 ZINC000071388729 203093225 /nfs/dbraw/zinc/09/32/25/203093225.db2.gz DIOULHUXZYMJNZ-UHFFFAOYSA-N 0 0 330.391 4.052 50 30 EIEARN CC(C)(C)OC(=O)n1cc(C=O)c2cc(C#N)c(C(F)(F)F)cc21 ZINC000071788968 203113277 /nfs/dbraw/zinc/11/32/77/203113277.db2.gz AMWSIEOMRUFPNO-UHFFFAOYSA-N 0 0 338.285 4.127 50 30 EIEARN Cc1csc(C(C#N)C(=O)C[C@H](c2ccccc2)C(F)(F)F)n1 ZINC000071799767 203115244 /nfs/dbraw/zinc/11/52/44/203115244.db2.gz HIFKJAAKZDZYDR-CHWSQXEVSA-N 0 0 338.354 4.364 50 30 EIEARN N#CCCCOc1cccc(NC(=O)Nc2ccc(CC#N)cc2)c1 ZINC000072282520 203190649 /nfs/dbraw/zinc/19/06/49/203190649.db2.gz RDPFNNSMLCROED-UHFFFAOYSA-N 0 0 334.379 4.079 50 30 EIEARN C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000076070693 203335726 /nfs/dbraw/zinc/33/57/26/203335726.db2.gz 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EIEARN C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000328596975 258042261 /nfs/dbraw/zinc/04/22/61/258042261.db2.gz CBARHUKMABYHAG-OCBCSQNSSA-N 0 0 345.826 4.112 50 30 EIEARN O=C(Nc1scnc1-c1ccccc1)[C@@H]1COc2ccccc2O1 ZINC000330031612 258003031 /nfs/dbraw/zinc/00/30/31/258003031.db2.gz BDCNEHJGDJTHNE-HNNXBMFYSA-N 0 0 338.388 4.238 50 30 EIEARN CSc1ccccc1C(=O)[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000055060813 258014897 /nfs/dbraw/zinc/01/48/97/258014897.db2.gz QSLSLXFOTHJLPP-LJQANCHMSA-N 0 0 349.499 4.355 50 30 EIEARN O=C(OCC#CCSc1nc2ccccc2s1)c1cccs1 ZINC000002371089 258016963 /nfs/dbraw/zinc/01/69/63/258016963.db2.gz HEIKABMUEAGKLD-UHFFFAOYSA-N 0 0 345.470 4.310 50 30 EIEARN C=CCN(/N=N/c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000013147113 258017163 /nfs/dbraw/zinc/01/71/63/258017163.db2.gz PGCFNECNLYGTIT-WUKNDPDISA-N 0 0 327.300 4.194 50 30 EIEARN C=CCN(C(=O)c1ccc(-n2nc(C)cc2C)cc1)c1ccccc1 ZINC000012909412 258017467 /nfs/dbraw/zinc/01/74/67/258017467.db2.gz 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C[C@H](SCc1ccccc1)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000048813309 525981559 /nfs/dbraw/zinc/98/15/59/525981559.db2.gz ONLVPBRHFIBPAL-ZFWWWQNUSA-N 0 0 335.432 4.061 50 30 EIEARN Cc1ccc([N+](=O)[O-])cc1N=Cc1ccc(Br)s1 ZINC000252462919 526076218 /nfs/dbraw/zinc/07/62/18/526076218.db2.gz XJIUQKPTYXEISN-UHFFFAOYSA-N 0 0 325.187 4.478 50 30 EIEARN N#CCCCSc1nnc(Cc2ccccc2)n1-c1ccccc1 ZINC000008707812 526447908 /nfs/dbraw/zinc/44/79/08/526447908.db2.gz HVGNLTFQJRQDBW-UHFFFAOYSA-N 0 0 334.448 4.254 50 30 EIEARN N#CCSc1ccccc1C(=O)OCCOc1ccc(Cl)cc1 ZINC000014141866 526477672 /nfs/dbraw/zinc/47/76/72/526477672.db2.gz LQFDNJJCVMOLKM-UHFFFAOYSA-N 0 0 347.823 4.191 50 30 EIEARN N#CC[C@@H](C[C@@H](CC#N)C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000018116505 526480264 /nfs/dbraw/zinc/48/02/64/526480264.db2.gz NCZTWKGRVOLRBZ-KDURUIRLSA-N 0 0 330.387 4.202 50 30 EIEARN N#C[C@H](C(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccn1 ZINC000006831146 526504992 /nfs/dbraw/zinc/50/49/92/526504992.db2.gz ZNOCTDHEOKMFFL-ZDUSSCGKSA-N 0 0 349.217 4.424 50 30 EIEARN Clc1ccc(N2CCN(/N=C\C=C\c3ccccc3)CC2)cc1 ZINC000015658710 526956652 /nfs/dbraw/zinc/95/66/52/526956652.db2.gz RZNXTOSMGNXEAS-LGCJVJRSSA-N 0 0 325.843 4.161 50 30 EIEARN O=C(Nc1ccccc1)N1CCC(=NOCc2ccccc2F)CC1 ZINC000025150864 527390875 /nfs/dbraw/zinc/39/08/75/527390875.db2.gz IHKGIDZBOCSQJX-UHFFFAOYSA-N 0 0 341.386 4.026 50 30 EIEARN O=C(NCC/N=C/c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000004680961 527560247 /nfs/dbraw/zinc/56/02/47/527560247.db2.gz XKNJNISVVIVUTL-HAVVHWLPSA-N 0 0 344.414 4.328 50 30 EIEARN CCCCCCCCCCC[C@H]1NC(=O)NC(C)=C1C(=O)OCC ZINC000100723338 563982723 /nfs/dbraw/zinc/98/27/23/563982723.db2.gz XGPRBKIBJHTTMT-MRXNPFEDSA-N 0 0 338.492 4.426 50 30 EIEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000063130 563214099 /nfs/dbraw/zinc/21/40/99/563214099.db2.gz KBRIBOGYMBDVCO-UHFFFAOYSA-N 0 0 345.310 4.317 50 30 EIEARN CCOc1ccc(Br)cc1/C=N/c1ccc2c(c1)OCO2 ZINC000000071131 563215514 /nfs/dbraw/zinc/21/55/14/563215514.db2.gz IJBMILQDOGGINO-GIJQJNRQSA-N 0 0 348.196 4.327 50 30 EIEARN COc1ccc([C@@H]2Nc3n[nH]c(C)c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000173461 563252344 /nfs/dbraw/zinc/25/23/44/563252344.db2.gz OVHKJRCBVNGXCU-SFHVURJKSA-N 0 0 337.423 4.036 50 30 EIEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000208113 563260016 /nfs/dbraw/zinc/26/00/16/563260016.db2.gz HBMHZTMEEVYOEP-UHFFFAOYSA-N 0 0 345.310 4.317 50 30 EIEARN Cc1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000001299736 563382749 /nfs/dbraw/zinc/38/27/49/563382749.db2.gz GXUGHZJOKMKRLX-VCHYOVAHSA-N 0 0 328.828 4.078 50 30 EIEARN N#CCCN(CCC#N)C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002858242 563456806 /nfs/dbraw/zinc/45/68/06/563456806.db2.gz WPQNJFDGIPCTGD-LJQANCHMSA-N 0 0 349.459 4.176 50 30 EIEARN Cc1cn2nc(N=C([O-])c3ccc(Cl)cc3Cl)[s+]c2s1 ZINC000003136254 563474105 /nfs/dbraw/zinc/47/41/05/563474105.db2.gz SVUYEEHNWZRCSI-UHFFFAOYSA-O 0 0 345.256 4.195 50 30 EIEARN COc1ccc(C(=O)N=C(Nc2c(C)cccc2C)SC)cc1 ZINC000004377501 563501765 /nfs/dbraw/zinc/50/17/65/563501765.db2.gz VLZHKKMSHAVQOU-UHFFFAOYSA-N 0 0 328.437 4.283 50 30 EIEARN Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(O)c(Cl)c3)S2)cc1 ZINC000004616750 563506251 /nfs/dbraw/zinc/50/62/51/563506251.db2.gz SAWRVKQJFDRAMU-OQLLNIDSSA-N 0 0 344.823 4.246 50 30 EIEARN CC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004858150 563513834 /nfs/dbraw/zinc/51/38/34/563513834.db2.gz IXLPSBNCHRTJBI-RDPWEWGOSA-N 0 0 349.390 4.239 50 30 EIEARN CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000005073022 563520504 /nfs/dbraw/zinc/52/05/04/563520504.db2.gz UFRWYJPCKJQGLO-IZZDOVSWSA-N 0 0 342.391 4.007 50 30 EIEARN O=C(/C=C/c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000005073281 563520544 /nfs/dbraw/zinc/52/05/44/563520544.db2.gz NCFYZZLTCITPSU-RMKNXTFCSA-N 0 0 332.153 4.253 50 30 EIEARN COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OC ZINC000005073032 563520552 /nfs/dbraw/zinc/52/05/52/563520552.db2.gz CIADKJFJYZARIL-SOFGYWHQSA-N 0 0 347.208 4.362 50 30 EIEARN CC(=CC(=O)c1ccc(Br)cc1)Nc1cccc(O)c1 ZINC000006492572 563570018 /nfs/dbraw/zinc/57/00/18/563570018.db2.gz KDWFAILCPFWSFI-PKNBQFBNSA-N 0 0 332.197 4.353 50 30 EIEARN CC[C@@H]1S/C(=N\N=C\c2c3ccccc3cc3ccccc32)NC1=O ZINC000006996111 563593053 /nfs/dbraw/zinc/59/30/53/563593053.db2.gz AGUYRBQUTLKJCE-IUOVYFEOSA-N 0 0 347.443 4.325 50 30 EIEARN C[C@@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2ccc(F)cc2)C1 ZINC000009009992 563641549 /nfs/dbraw/zinc/64/15/49/563641549.db2.gz HCJQGEGNSOSYCG-FKIZINRSSA-N 0 0 347.393 4.443 50 30 EIEARN CC(=NOC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCO2 ZINC000012367238 563658730 /nfs/dbraw/zinc/65/87/30/563658730.db2.gz NHPOOYHLTKVZJZ-RGVLZGJSSA-N 0 0 330.771 4.248 50 30 EIEARN CC(C)CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000012382034 563659465 /nfs/dbraw/zinc/65/94/65/563659465.db2.gz KHJCEVZIGVXINP-MNDPQUGUSA-N 0 0 342.355 4.365 50 30 EIEARN C=CCN(C(=O)CCc1cccs1)c1nc2c(s1)CCCC2 ZINC000032674265 563677193 /nfs/dbraw/zinc/67/71/93/563677193.db2.gz AXYYIEIXYMUKCR-UHFFFAOYSA-N 0 0 332.494 4.235 50 30 EIEARN C=C(C)COC(=O)c1cc2c(C)nn(Cc3ccc(C)cc3)c2s1 ZINC000032667623 563678446 /nfs/dbraw/zinc/67/84/46/563678446.db2.gz VAXSPIZHDSZRBZ-UHFFFAOYSA-N 0 0 340.448 4.496 50 30 EIEARN CC1(C)Cc2nnc(-c3ccc(Br)cc3)cc2/C(=N/O)C1 ZINC000013401428 563697371 /nfs/dbraw/zinc/69/73/71/563697371.db2.gz CRMVHQRGFBTZLL-HMMYKYKNSA-N 0 0 346.228 4.057 50 30 EIEARN COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)cc1C ZINC000017154994 563838871 /nfs/dbraw/zinc/83/88/71/563838871.db2.gz BTMYJPGCYQWKEI-KFBYJWCXSA-N 0 0 338.432 4.237 50 30 EIEARN O=C1Nc2ccc(Br)cc2/C1=N\c1ccccc1Cl ZINC000018243717 563851688 /nfs/dbraw/zinc/85/16/88/563851688.db2.gz UJIUVIZIFCQYGP-UHFFFAOYSA-N 0 0 335.588 4.175 50 30 EIEARN Cc1[nH]ccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000175494428 563861980 /nfs/dbraw/zinc/86/19/80/563861980.db2.gz MLQNVPNWDHYQKV-UHFFFAOYSA-N 0 0 331.375 4.026 50 30 EIEARN C=C(Cl)CNC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000072290920 563909087 /nfs/dbraw/zinc/90/90/87/563909087.db2.gz FLWUBCXRXQFHPW-UHFFFAOYSA-N 0 0 343.814 4.121 50 30 EIEARN NC(=S)N/N=C(/Cc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000000284424 563917232 /nfs/dbraw/zinc/91/72/32/563917232.db2.gz KWSGDWYLHBZJOQ-ATJXCDBQSA-N 0 0 345.471 4.134 50 30 EIEARN CS[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000071799774 563921866 /nfs/dbraw/zinc/92/18/66/563921866.db2.gz REGICQMLLRQRBO-IUCAKERBSA-N 0 0 338.404 4.016 50 30 EIEARN N#C[C@H](C(=O)Nc1ccccc1F)c1nc2cc(Cl)ccc2s1 ZINC000119408849 563926443 /nfs/dbraw/zinc/92/64/43/563926443.db2.gz AAUHIMAABFYGNH-SNVBAGLBSA-N 0 0 345.786 4.335 50 30 EIEARN C=CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000013644897 563931163 /nfs/dbraw/zinc/93/11/63/563931163.db2.gz QKXIDEALFPPICG-LGMDPLHJSA-N 0 0 337.400 4.492 50 30 EIEARN COc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000057525048 563935710 /nfs/dbraw/zinc/93/57/10/563935710.db2.gz LABJGRYIBZFCQI-ZDUSSCGKSA-N 0 0 348.324 4.035 50 30 EIEARN C[C@@H](NC(=O)N1CCC(C#N)CC1)c1cc(F)c(Cl)cc1Cl ZINC000058217722 563940048 /nfs/dbraw/zinc/94/00/48/563940048.db2.gz LACSVIQBPSSIJX-SECBINFHSA-N 0 0 344.217 4.139 50 30 EIEARN COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3)n2)cc1 ZINC000058265880 563941165 /nfs/dbraw/zinc/94/11/65/563941165.db2.gz GOSIENGUJCDLEK-MRXNPFEDSA-N 0 0 334.400 4.309 50 30 EIEARN CCCCCCCC(=O)NCCCNC(=O)CCCCCCC ZINC000097941839 563951618 /nfs/dbraw/zinc/95/16/18/563951618.db2.gz YRLQRANYNYOBMS-UHFFFAOYSA-N 0 0 326.525 4.330 50 30 EIEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(F)cc3)S2)c1 ZINC000004696375 563964615 /nfs/dbraw/zinc/96/46/15/563964615.db2.gz KDZVMWHIPKDYSL-YBEGLDIGSA-N 0 0 326.396 4.334 50 30 EIEARN COC[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(C#N)cc3C)cc2)C1 ZINC000584892316 563966967 /nfs/dbraw/zinc/96/69/67/563966967.db2.gz GUTQSDLABOSPLR-GOSISDBHSA-N 0 0 348.446 4.032 50 30 EIEARN N#CC1(NCCCCCCNC2(C#N)CCCCC2)CCCCC1 ZINC000095351730 563976685 /nfs/dbraw/zinc/97/66/85/563976685.db2.gz QUSSISKJJOVLJS-UHFFFAOYSA-N 0 0 330.520 4.179 50 30 EIEARN CC(C)(C)OC(=O)N1CC(=O)C(c2ccccc2)=C(c2ccccc2)C1 ZINC000098043389 563982216 /nfs/dbraw/zinc/98/22/16/563982216.db2.gz OFJONGZAQBTUPW-UHFFFAOYSA-N 0 0 349.430 4.417 50 30 EIEARN CC(=O)C(=CNc1cc(Cl)cc(Cl)c1)C(=O)C(F)(F)F ZINC000100218783 563982417 /nfs/dbraw/zinc/98/24/17/563982417.db2.gz FSBDRGSGKLBSFZ-BJMVGYQFSA-N 0 0 326.101 4.010 50 30 EIEARN N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000014158000 563983334 /nfs/dbraw/zinc/98/33/34/563983334.db2.gz SYIQXQBISMKXDR-UHFFFAOYSA-N 0 0 342.354 4.206 50 30 EIEARN N#Cc1ccccc1CSCCNC(=O)Nc1cccc(Cl)c1 ZINC000014158925 563983336 /nfs/dbraw/zinc/98/33/36/563983336.db2.gz YJHVKPSAELUSPC-UHFFFAOYSA-N 0 0 345.855 4.267 50 30 EIEARN COc1ccc2c(c1)CC/C(=C\c1ccc(Br)o1)C2=O ZINC000004826040 563983338 /nfs/dbraw/zinc/98/33/38/563983338.db2.gz IORSYKOHJOIXBE-PKNBQFBNSA-N 0 0 333.181 4.263 50 30 EIEARN Cc1ccc(OCc2nc(C#N)c(N(C)Cc3ccccc3)o2)cc1 ZINC000000108442 563986585 /nfs/dbraw/zinc/98/65/85/563986585.db2.gz XIYVJTVOHKXQQQ-UHFFFAOYSA-N 0 0 333.391 4.070 50 30 EIEARN N#Cc1c2c(sc1-n1ncnc1-c1ccc(Cl)cc1)CCCC2 ZINC000000181015 563987857 /nfs/dbraw/zinc/98/78/57/563987857.db2.gz SUBRUWYCYVAQBG-UHFFFAOYSA-N 0 0 340.839 4.400 50 30 EIEARN Cc1ccc(C[C@@H]2S/C(=N/c3ccc(C)c(C)c3)NC2=O)cc1C ZINC000011690446 563988132 /nfs/dbraw/zinc/98/81/32/563988132.db2.gz BTFNVNYULVRBCO-SFHVURJKSA-N 0 0 338.476 4.382 50 30 EIEARN CCCN(C)c1ccc(/C=N/NC(=S)Nc2ccc(C)cc2)cc1 ZINC000000263970 563989816 /nfs/dbraw/zinc/98/98/16/563989816.db2.gz MOGWTJLPQBCAED-XSFVSMFZSA-N 0 0 340.496 4.162 50 30 EIEARN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000004864030 563992140 /nfs/dbraw/zinc/99/21/40/563992140.db2.gz TXCZADVKOYESIE-ATFGOMPUSA-N 0 0 347.462 4.356 50 30 EIEARN O=C1C=C(NCCc2c[nH]c3ccccc23)C[C@H](c2ccccc2)C1 ZINC000100657691 563994582 /nfs/dbraw/zinc/99/45/82/563994582.db2.gz JVZDIYKOFUCDTQ-SFHVURJKSA-N 0 0 330.431 4.331 50 30 EIEARN COCc1cc(C)nc(SCC(=O)c2ccc(Cl)cc2)c1C#N ZINC000000048841 563997481 /nfs/dbraw/zinc/99/74/81/563997481.db2.gz LKMMOJAWSODQQH-UHFFFAOYSA-N 0 0 346.839 4.037 50 30 EIEARN Cc1ccccc1NC(=O)CSc1nc2c(C)cccc2cc1C#N ZINC000000421661 563998313 /nfs/dbraw/zinc/99/83/13/563998313.db2.gz ZLJGVWCIEDGYKZ-UHFFFAOYSA-N 0 0 347.443 4.454 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccccc1C ZINC000000428071 563998853 /nfs/dbraw/zinc/99/88/53/563998853.db2.gz YNBGRWSAGLWYGH-QFBILLFUSA-N 0 0 340.444 4.376 50 30 EIEARN CC(=O)Nc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 ZINC000006338133 564001895 /nfs/dbraw/zinc/00/18/95/564001895.db2.gz PERABAXNOCVQKF-JXMROGBWSA-N 0 0 344.208 4.304 50 30 EIEARN O=[N+]([O-])c1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4[nH]3)o2)cc1 ZINC000005452258 564004227 /nfs/dbraw/zinc/00/42/27/564004227.db2.gz PFSNQXSDBOCWGG-YBFXNURJSA-N 0 0 347.334 4.177 50 30 EIEARN CC1(C#N)CCN(C(=O)Nc2cccc(CCC(F)(F)F)c2)CC1 ZINC000272528798 564007398 /nfs/dbraw/zinc/00/73/98/564007398.db2.gz MIOUVUHACZYRLA-UHFFFAOYSA-N 0 0 339.361 4.339 50 30 EIEARN C=CCSc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2 ZINC000018143495 564018417 /nfs/dbraw/zinc/01/84/17/564018417.db2.gz VJFAVLSLNZJJPJ-UHFFFAOYSA-N 0 0 338.476 4.473 50 30 EIEARN Cc1ccccc1/N=C1\NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 ZINC000018153945 564018479 /nfs/dbraw/zinc/01/84/79/564018479.db2.gz WBJSIZUOYHFQCS-YVLHZVERSA-N 0 0 333.416 4.368 50 30 EIEARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000018197145 564018725 /nfs/dbraw/zinc/01/87/25/564018725.db2.gz CTQSZDVIZCCTIF-HXUWFJFHSA-N 0 0 335.403 4.268 50 30 EIEARN COc1cc(C#N)ccc1O[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000018260313 564019033 /nfs/dbraw/zinc/01/90/33/564019033.db2.gz AZYMCUJURWLODW-CYBMUJFWSA-N 0 0 335.363 4.065 50 30 EIEARN O=c1[nH]c2ccc(/N=C\c3ccc(OCc4ccccc4)cc3)cc2[nH]1 ZINC000101513247 564019459 /nfs/dbraw/zinc/01/94/59/564019459.db2.gz MHFAZJAIVVBYCY-XKZIYDEJSA-N 0 0 343.386 4.186 50 30 EIEARN O=C1C(=CNc2ccccc2)C(=O)N(c2ccccc2)C2=C1CCCC2 ZINC000103463919 564022464 /nfs/dbraw/zinc/02/24/64/564022464.db2.gz CQDMCMBMILLHQK-XDJHFCHBSA-N 0 0 344.414 4.426 50 30 EIEARN COc1ccc(-c2nc(C#N)c(N[C@@H](C)c3ccccc3)o2)cc1OC ZINC000000544924 564022679 /nfs/dbraw/zinc/02/26/79/564022679.db2.gz JDTDMOCFMJYSRB-ZDUSSCGKSA-N 0 0 349.390 4.404 50 30 EIEARN CCOC(=O)C(C)=NNc1ccc2c(c1)Sc1ccccc1O2 ZINC000000550399 564022879 /nfs/dbraw/zinc/02/28/79/564022879.db2.gz HOIQWYNARHDTHI-WOJGMQOQSA-N 0 0 328.393 4.294 50 30 EIEARN Cc1c(NC=C2C(=O)CC3(CCCCC3)CC2=O)cccc1[N+](=O)[O-] ZINC000103840728 564023168 /nfs/dbraw/zinc/02/31/68/564023168.db2.gz CXEWXVJSZRBGIN-UHFFFAOYSA-N 0 0 342.395 4.082 50 30 EIEARN C[C@@H]1CCc2c(sc(NC(=O)C(Cl)(Cl)Cl)c2C#N)C1 ZINC000000570350 564023718 /nfs/dbraw/zinc/02/37/18/564023718.db2.gz DDDLSYNEMIXRMR-ZCFIWIBFSA-N 0 0 337.659 4.053 50 30 EIEARN COc1ccc(OC)c(C(=O)C=CNc2ccc(Cl)cc2F)c1 ZINC000051318568 564024478 /nfs/dbraw/zinc/02/44/78/564024478.db2.gz MNMIMCJAOXBRHF-BQYQJAHWSA-N 0 0 335.762 4.305 50 30 EIEARN CCCCCCCCCNC(=O)C(=O)Nc1cccc(Cl)c1C ZINC000105421649 564025187 /nfs/dbraw/zinc/02/51/87/564025187.db2.gz KAYXSKSLMVMIAQ-UHFFFAOYSA-N 0 0 338.879 4.454 50 30 EIEARN COc1ccc(NC(=O)c2ccc(C#N)cc2)cc1Cc1ccccc1 ZINC000012041368 564026321 /nfs/dbraw/zinc/02/63/21/564026321.db2.gz WNRNGSIZUNNLSX-UHFFFAOYSA-N 0 0 342.398 4.410 50 30 EIEARN C=CCn1c(=O)oc2cc(NC(=O)Nc3ccccc3Cl)ccc21 ZINC000046010584 564029146 /nfs/dbraw/zinc/02/91/46/564029146.db2.gz QUOSISVIAKXKQQ-UHFFFAOYSA-N 0 0 343.770 4.078 50 30 EIEARN CN(C)c1ccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000005127856 564033054 /nfs/dbraw/zinc/03/30/54/564033054.db2.gz KTNBKCDTFHPQKQ-ONNFQVAWSA-N 0 0 330.771 4.210 50 30 EIEARN CCCOC(=O)CSc1nc(-c2ccc(Cl)cc2)ccc1C#N ZINC000012250959 564033268 /nfs/dbraw/zinc/03/32/68/564033268.db2.gz XSXYJRAGMMLJDD-UHFFFAOYSA-N 0 0 346.839 4.319 50 30 EIEARN COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1O ZINC000007717874 564034440 /nfs/dbraw/zinc/03/44/40/564034440.db2.gz AORPJMLNGIZTDU-FNORWQNLSA-N 0 0 333.181 4.059 50 30 EIEARN C=CCn1c(SCc2ccccc2F)nnc1-c1ccccc1O ZINC000003000707 564044015 /nfs/dbraw/zinc/04/40/15/564044015.db2.gz XMXXEPHXYOCAOK-UHFFFAOYSA-N 0 0 341.411 4.268 50 30 EIEARN CCc1cccc(C)c1NC(=O)CON=C(C)c1sc(C)nc1C ZINC000252474418 564053358 /nfs/dbraw/zinc/05/33/58/564053358.db2.gz CXUAHCOGPSAODV-UHFFFAOYSA-N 0 0 345.468 4.010 50 30 EIEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CCC[C@]4(C)CC[C@H]32)C1 ZINC000254405241 564053681 /nfs/dbraw/zinc/05/36/81/564053681.db2.gz SDCOFNKFMXLZIF-CBMYKLCHSA-N 0 0 330.468 4.450 50 30 EIEARN C[C@H](Nc1cccc(F)c1C#N)c1ccc(NC(=O)NC2CC2)cc1 ZINC000052313807 564054036 /nfs/dbraw/zinc/05/40/36/564054036.db2.gz SAJRCRAKLOUKSL-LBPRGKRZSA-N 0 0 338.386 4.154 50 30 EIEARN Cc1ccc(-c2cc3c4ccccc4oc(=O)c3c(N)c2C#N)cc1 ZINC000001036541 564054185 /nfs/dbraw/zinc/05/41/85/564054185.db2.gz BCLGOIXVRXLORR-UHFFFAOYSA-N 0 0 326.355 4.376 50 30 EIEARN Oc1ccc(CN=Nc2ncc(-c3cc(Cl)ccc3O)s2)cc1 ZINC000261491585 564056133 /nfs/dbraw/zinc/05/61/33/564056133.db2.gz JMCJTFVNPVSPAT-UFWORHAWSA-N 0 0 345.811 4.321 50 30 EIEARN O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1cccc(F)c1 ZINC000082098450 564056272 /nfs/dbraw/zinc/05/62/72/564056272.db2.gz ACYBWLXXOQTKIY-INIZCTEOSA-N 0 0 348.443 4.156 50 30 EIEARN COc1ccc(-c2c3c(N)c(C#N)sc3nc3c2CCCC3)cc1 ZINC000005880182 564056768 /nfs/dbraw/zinc/05/67/68/564056768.db2.gz ANUUKJLMPIGWIG-UHFFFAOYSA-N 0 0 335.432 4.305 50 30 EIEARN N#Cc1c(NC(=O)CSc2ccc(F)cc2)sc2c1CCCC2 ZINC000003353739 564059425 /nfs/dbraw/zinc/05/94/25/564059425.db2.gz JPTGDSKQHMQWJO-UHFFFAOYSA-N 0 0 346.452 4.368 50 30 EIEARN O=C1CCCC2=C1[C@@H](c1ccccc1)CC(=O)N2c1ccc(F)cc1 ZINC000003624995 564060078 /nfs/dbraw/zinc/06/00/78/564060078.db2.gz BXMIEVWHYTVSSY-QGZVFWFLSA-N 0 0 335.378 4.353 50 30 EIEARN O=C(CN=Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 ZINC000001400641 564064969 /nfs/dbraw/zinc/06/49/69/564064969.db2.gz QDPILFYZARZZMM-DNTJNYDQSA-N 0 0 327.693 4.034 50 30 EIEARN C#CCN(Cc1ccc(C)cc1)C(=O)c1ccccc1C(F)(F)F ZINC000060102295 564065527 /nfs/dbraw/zinc/06/55/27/564065527.db2.gz ZOFXTHQKKCIVGI-UHFFFAOYSA-N 0 0 331.337 4.289 50 30 EIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1c(C)cc(C)cc1C ZINC000084074686 564066147 /nfs/dbraw/zinc/06/61/47/564066147.db2.gz DNGWVQSKZJCJIK-UHFFFAOYSA-N 0 0 347.418 4.106 50 30 EIEARN C=CCN(Cc1nc(-c2ccccc2)no1)Cc1sccc1C ZINC000063872546 564066404 /nfs/dbraw/zinc/06/64/04/564066404.db2.gz AXBCKEJOTFNTBW-UHFFFAOYSA-N 0 0 325.437 4.295 50 30 EIEARN C=CC[C@H]1C=C(C)C[C@H](CC=C)[N@H+]1Cc1ccc(O)c(C(=O)[O-])c1 ZINC000063856531 564066451 /nfs/dbraw/zinc/06/64/51/564066451.db2.gz JOFCBGZDWFKSCA-IRXDYDNUSA-N 0 0 327.424 4.132 50 30 EIEARN C=CCn1cnc2c1cc(-c1ccc(C(=O)NC3CC3)o1)cc2Cl ZINC000096140460 564066550 /nfs/dbraw/zinc/06/65/50/564066550.db2.gz JWJAATXZJCUFFN-UHFFFAOYSA-N 0 0 341.798 4.028 50 30 EIEARN C#CC(CC)(CC)NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000000145683 564074488 /nfs/dbraw/zinc/07/44/88/564074488.db2.gz CTOAIMQJGIHGQX-UHFFFAOYSA-N 0 0 348.657 4.334 50 30 EIEARN C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cccc(C)c1 ZINC000007720178 564070897 /nfs/dbraw/zinc/07/08/97/564070897.db2.gz QYZSNSSCRFEMKO-UHFFFAOYSA-N 0 0 347.418 4.182 50 30 EIEARN C#CCN1C(=O)S/C(=C/c2ccc(O[C@H](C)CC)c(Cl)c2)C1=O ZINC000001144539 564074670 /nfs/dbraw/zinc/07/46/70/564074670.db2.gz LYVASCSQWNQTFS-HGLKBHAMSA-N 0 0 349.839 4.187 50 30 EIEARN C=CCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCCC3 ZINC000002182996 564074784 /nfs/dbraw/zinc/07/47/84/564074784.db2.gz RWOWXJFCVOZFHS-UHFFFAOYSA-N 0 0 332.494 4.191 50 30 EIEARN Cc1ccc(S(=O)(=O)N/N=C2/C[C@@H]3CC[C@@H]2CCCCC3)cc1 ZINC000043761775 564076247 /nfs/dbraw/zinc/07/62/47/564076247.db2.gz DLHPGKVAKLIUED-MKRGEVTBSA-N 0 0 334.485 4.010 50 30 EIEARN C=CCNC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000025432311 564078993 /nfs/dbraw/zinc/07/89/93/564078993.db2.gz NWSVVDYRPWOUDG-UHFFFAOYSA-N 0 0 326.343 4.053 50 30 EIEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C ZINC000000001974 564082365 /nfs/dbraw/zinc/08/23/65/564082365.db2.gz NUSUWEUUEXDJDY-IPLYQBINSA-N 0 0 342.479 4.149 50 30 EIEARN CCCNC(=O)c1ccsc1/N=C/c1cc(Cl)ccc1OC ZINC000006399686 564085514 /nfs/dbraw/zinc/08/55/14/564085514.db2.gz MUEPJKGKAPGXAZ-VXLYETTFSA-N 0 0 336.844 4.301 50 30 EIEARN CCCNC(=O)c1ccsc1/N=C/c1c(C)[nH]c2ccccc12 ZINC000006399677 564085538 /nfs/dbraw/zinc/08/55/38/564085538.db2.gz KKNCPNXZFMVZFN-RGVLZGJSSA-N 0 0 325.437 4.428 50 30 EIEARN CCc1ccc(C=NN2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000238950244 564087992 /nfs/dbraw/zinc/08/79/92/564087992.db2.gz XHRUDPNKJJBSIW-UHFFFAOYSA-N 0 0 327.859 4.059 50 30 EIEARN [N-]=[N+]=Nc1cc2c(c(N=[N+]=[N-])c1)C(=O)N(Cc1ccccc1)[S@@]2=O ZINC000245255868 564088663 /nfs/dbraw/zinc/08/86/63/564088663.db2.gz MBXOETBBBWBCLU-DEOSSOPVSA-N 0 0 339.340 4.249 50 30 EIEARN N#Cc1c2c(sc1NC(=O)c1cc(-c3cccs3)on1)CCC2 ZINC000002497901 564090528 /nfs/dbraw/zinc/09/05/28/564090528.db2.gz OKKRDEHOTCBPCT-UHFFFAOYSA-N 0 0 341.417 4.077 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC000006891930 564100835 /nfs/dbraw/zinc/10/08/35/564100835.db2.gz MEQUMZWBOYZVSD-PZJWPPBQSA-N 0 0 334.415 4.314 50 30 EIEARN N#Cc1cccc(C(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)c1 ZINC000007219606 564105871 /nfs/dbraw/zinc/10/58/71/564105871.db2.gz HSZVNCCMVUVTKR-UHFFFAOYSA-N 0 0 338.750 4.224 50 30 EIEARN N#CC1(NC(=O)CCN2c3ccccc3Sc3ccccc32)CCC1 ZINC000170606583 564109644 /nfs/dbraw/zinc/10/96/44/564109644.db2.gz IFKLYHJLZOMYTN-UHFFFAOYSA-N 0 0 349.459 4.242 50 30 EIEARN C[C@H](NC(=O)N(CCC#N)c1ccccc1F)[C@@H](C)c1ccccc1 ZINC000170616164 564110068 /nfs/dbraw/zinc/11/00/68/564110068.db2.gz AWOFNOKAKIAHGH-CVEARBPZSA-N 0 0 339.414 4.448 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@H]1c1cccs1 ZINC000170620010 564110159 /nfs/dbraw/zinc/11/01/59/564110159.db2.gz KFKHXWOPDPTCRT-MAUKXSAKSA-N 0 0 344.407 4.207 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(C=Cc2ccco2)C[C@@H]1c1ccccc1 ZINC000005067591 564111738 /nfs/dbraw/zinc/11/17/38/564111738.db2.gz NNXQOKQHXMPRDJ-FKDVYQRFSA-N 0 0 336.387 4.155 50 30 biogenic EIEARN COC(=O)c1ccc(Nc2c(C#N)cnc3ccc(Cl)cc32)cc1 ZINC000016840730 564113790 /nfs/dbraw/zinc/11/37/90/564113790.db2.gz QNESHGPVBZXBLM-UHFFFAOYSA-N 0 0 337.766 4.290 50 30 EIEARN CC1(C)CCC[C@](C)(C#CCN2CCCC[C@@H]2c2cccnc2)O1 ZINC000002111372 564118062 /nfs/dbraw/zinc/11/80/62/564118062.db2.gz MGHSLDDBTFCNLI-TZIWHRDSSA-N 0 0 326.484 4.350 50 30 EIEARN CCN(CC)c1ccc(C=Nc2cc([N+](=O)[O-])ccc2C)c(O)c1 ZINC000252460094 564118638 /nfs/dbraw/zinc/11/86/38/564118638.db2.gz BNZUOUBLHCHDIS-UHFFFAOYSA-N 0 0 327.384 4.206 50 30 EIEARN C[C@@H]1CCc2c(C#N)c(N=Cc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000252600552 564121147 /nfs/dbraw/zinc/12/11/47/564121147.db2.gz DSJFAMFVHSOGBH-LLVKDONJSA-N 0 0 325.393 4.403 50 30 EIEARN COc1cccc(C=Nc2ccc(C(=O)Nc3ccccn3)cc2)c1 ZINC000252611017 564121792 /nfs/dbraw/zinc/12/17/92/564121792.db2.gz IFZROUIFNFHFKT-UHFFFAOYSA-N 0 0 331.375 4.093 50 30 EIEARN CCOc1ccc2oc(C(=O)OCc3ccccc3C#N)c(C)c2c1 ZINC000007780264 564123119 /nfs/dbraw/zinc/12/31/19/564123119.db2.gz CWCCNAKESIVPHZ-UHFFFAOYSA-N 0 0 335.359 4.369 50 30 EIEARN Cc1cccc(C)c1N=C1S/C(=C\c2ccccc2O)C(=O)N1C ZINC000252624259 564123120 /nfs/dbraw/zinc/12/31/20/564123120.db2.gz PKIJGEFFHOGLPG-LQRSTDMYSA-N 0 0 338.432 4.243 50 30 EIEARN N#Cc1cccc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000007898951 564124769 /nfs/dbraw/zinc/12/47/69/564124769.db2.gz SFOSYXDBFDYVBI-UHFFFAOYSA-N 0 0 336.778 4.402 50 30 EIEARN Cc1ccn2c(c1)nc(-c1cccc(O)c1)c2/N=C/c1cccc(O)c1 ZINC000035616540 564129174 /nfs/dbraw/zinc/12/91/74/564129174.db2.gz RSGYNCGJRINNBD-LPYMAVHISA-N 0 0 343.386 4.472 50 30 EIEARN Cc1ccn2c(c1)nc(-c1ccccc1O)c2/N=C/c1ccccc1O ZINC000035616515 564129176 /nfs/dbraw/zinc/12/91/76/564129176.db2.gz BVWBNKZUSMCXDL-LPYMAVHISA-N 0 0 343.386 4.472 50 30 EIEARN CC[C@@H](C)C(=O)Oc1ccn2c1-c1c(C#N)c3ccccc3nc1CC2 ZINC000035615831 564129183 /nfs/dbraw/zinc/12/91/83/564129183.db2.gz DONRXGXMKBHHGC-CYBMUJFWSA-N 0 0 345.402 4.083 50 30 EIEARN C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000253427600 564131207 /nfs/dbraw/zinc/13/12/07/564131207.db2.gz CUZZSSDGHPERLP-MSOLQXFVSA-N 0 0 342.483 4.429 50 30 EIEARN C=CC[C@@H](CC)NC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000253431515 564131839 /nfs/dbraw/zinc/13/18/39/564131839.db2.gz RKDWEBAWOJGZNX-LLVKDONJSA-N 0 0 343.349 4.140 50 30 EIEARN CC(C)[C@@H]1c2ccc3ccccc3c2Oc2nc(N)c(C#N)c(N)c21 ZINC000253470852 564132600 /nfs/dbraw/zinc/13/26/00/564132600.db2.gz HBUWGKDMAUXFSI-OAHLLOKOSA-N 0 0 330.391 4.164 50 30 EIEARN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C#N)c(-c3cccs3)c12 ZINC000000154622 564132910 /nfs/dbraw/zinc/13/29/10/564132910.db2.gz UQWOZNNYFJCPGK-UHFFFAOYSA-N 0 0 332.388 4.035 50 30 EIEARN N#Cc1c2c(c(NCc3ccco3)n3c4ccccc4nc13)CCC2 ZINC000000183149 564132981 /nfs/dbraw/zinc/13/29/81/564132981.db2.gz GAOUIZKZWMRRIC-UHFFFAOYSA-N 0 0 328.375 4.053 50 30 aggregator EIEARN N#Cc1c2c(c(Nc3ccc(O)cc3)n3c4ccccc4nc13)CCC2 ZINC000000308215 564133105 /nfs/dbraw/zinc/13/31/05/564133105.db2.gz HLBVUEBBNPWRIH-UHFFFAOYSA-N 0 0 340.386 4.297 50 30 EIEARN N#Cc1cccc(Oc2cc(F)c(CN3CCCC3)c(Cl)c2)n1 ZINC000067690555 564134888 /nfs/dbraw/zinc/13/48/88/564134888.db2.gz OMOYCFIUBMTWQJ-UHFFFAOYSA-N 0 0 331.778 4.134 50 30 EIEARN N#Cc1cccnc1NCc1cccnc1Oc1ccc(F)cc1F ZINC000067934075 564134977 /nfs/dbraw/zinc/13/49/77/564134977.db2.gz XMTSAXVOAPUHBA-UHFFFAOYSA-N 0 0 338.317 4.031 50 30 EIEARN COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(C#N)c2)cc1 ZINC000012787955 564135550 /nfs/dbraw/zinc/13/55/50/564135550.db2.gz KCYHLPHIZLAEDH-FQEVSTJZSA-N 0 0 334.419 4.324 50 30 EIEARN N#Cc1cccc(C#N)c1Sc1nnc(-c2cc3ccccc3o2)o1 ZINC000225512875 564135771 /nfs/dbraw/zinc/13/57/71/564135771.db2.gz ZEASEGZMZRFCPU-UHFFFAOYSA-N 0 0 344.355 4.377 50 30 EIEARN CCC[C@H]1CCc2c(C#N)c(NC(=O)c3cc(C)on3)sc2C1 ZINC000013327327 564136223 /nfs/dbraw/zinc/13/62/23/564136223.db2.gz HVFPBGYSRJLTRY-NSHDSACASA-N 0 0 329.425 4.074 50 30 EIEARN Cc1nnc([C@@H](C)Nc2cccc(COc3ccc(CC#N)cc3)c2)o1 ZINC000079029638 564137675 /nfs/dbraw/zinc/13/76/75/564137675.db2.gz RHZZVCPQOODXFP-CQSZACIVSA-N 0 0 348.406 4.196 50 30 EIEARN O=C1C=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)CCC1 ZINC000080325302 564139260 /nfs/dbraw/zinc/13/92/60/564139260.db2.gz DKCBQCWNDPKETA-HXUWFJFHSA-N 0 0 332.403 4.180 50 30 EIEARN C[C@@H](NCc1ccc(C#N)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000080342430 564139317 /nfs/dbraw/zinc/13/93/17/564139317.db2.gz HIJJYVDVLQFHNJ-GFCCVEGCSA-N 0 0 338.798 4.112 50 30 EIEARN COc1ccc([C@H](Nc2ncccc2C#N)c2ccc(C)cc2)cc1 ZINC000095369573 564139370 /nfs/dbraw/zinc/13/93/70/564139370.db2.gz ZRUNJKXNSJFDSA-HXUWFJFHSA-N 0 0 329.403 4.472 50 30 EIEARN CC(C)Oc1ccc(-c2nc(C(=O)O[C@@H](C#N)C3CC3)cs2)cc1 ZINC000080414293 564139655 /nfs/dbraw/zinc/13/96/55/564139655.db2.gz HROLZEIBYJGBGX-INIZCTEOSA-N 0 0 342.420 4.056 50 30 EIEARN CC(C)n1nccc1C(=O)N(CC1CC1)c1cc(Cl)ccc1C#N ZINC000095427922 564140252 /nfs/dbraw/zinc/14/02/52/564140252.db2.gz CVGCUTURRQHGHW-UHFFFAOYSA-N 0 0 342.830 4.046 50 30 EIEARN N#Cc1ccc(NCc2ccc(-n3ccnc3)cc2)c(C(F)(F)F)c1 ZINC000095949748 564142322 /nfs/dbraw/zinc/14/23/22/564142322.db2.gz BEFXPHUMHVSZAM-UHFFFAOYSA-N 0 0 342.324 4.375 50 30 EIEARN CCO[C@H](C)c1nc(C(=O)Nc2sc(C)c(CC)c2C#N)cs1 ZINC000095960737 564142745 /nfs/dbraw/zinc/14/27/45/564142745.db2.gz ZOJWAZOJADWTIF-SECBINFHSA-N 0 0 349.481 4.297 50 30 EIEARN N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCc2ccccc2C1 ZINC000096346560 564146890 /nfs/dbraw/zinc/14/68/90/564146890.db2.gz ZTYGTXDCIQUHKX-RBUKOAKNSA-N 0 0 341.414 4.380 50 30 EIEARN N#Cc1cc(C(=O)Nc2ccc(F)cc2)n2ccc3ccccc3c12 ZINC000002544919 564150594 /nfs/dbraw/zinc/15/05/94/564150594.db2.gz RTROIFFZOZJKLY-UHFFFAOYSA-N 0 0 329.334 4.356 50 30 EIEARN C(=N\N=C(/Cc1nc2ccccc2[nH]1)c1ccccc1)\c1ccco1 ZINC000028293963 564150933 /nfs/dbraw/zinc/15/09/33/564150933.db2.gz BAPRHCQKLQVJSN-YIHBBQGESA-N 0 0 328.375 4.222 50 30 EIEARN N#Cc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC000002663061 564152065 /nfs/dbraw/zinc/15/20/65/564152065.db2.gz HPALAUMEVQKBRF-UHFFFAOYSA-N 0 0 335.588 4.226 50 30 EIEARN CCOc1cc(C#N)ccc1OCC(=O)Nc1cccc2ccccc21 ZINC000002767441 564152501 /nfs/dbraw/zinc/15/25/01/564152501.db2.gz IEKSYJCROFHPBS-UHFFFAOYSA-N 0 0 346.386 4.128 50 30 EIEARN CO/N=C/c1c(C(F)(F)F)nn(C)c1Sc1ccc(Cl)cc1 ZINC000003052447 564154756 /nfs/dbraw/zinc/15/47/56/564154756.db2.gz TYESXVDRMQZDAU-CNHKJKLMSA-N 0 0 349.765 4.224 50 30 EIEARN N#Cc1ccc(CSc2nnc(-c3c[nH]c4ccccc43)o2)cc1 ZINC000003257380 564156664 /nfs/dbraw/zinc/15/66/64/564156664.db2.gz NRMQABPGBYUUPI-UHFFFAOYSA-N 0 0 332.388 4.382 50 30 EIEARN C[C@@H](OC(=O)c1cccc(C#N)c1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000003404967 564157991 /nfs/dbraw/zinc/15/79/91/564157991.db2.gz ZLTKXMDXDZTQMP-CQSZACIVSA-N 0 0 335.403 4.284 50 30 EIEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000003443638 564158165 /nfs/dbraw/zinc/15/81/65/564158165.db2.gz PALNXGRGHUVMGX-IIBYNOLFSA-N 0 0 336.435 4.175 50 30 EIEARN Cc1ccc(-n2c(S[C@@H](C)C#N)nc3ccccc3c2=O)c(C)c1 ZINC000003463568 564158270 /nfs/dbraw/zinc/15/82/70/564158270.db2.gz FKHMQPWSPUFWTL-AWEZNQCLSA-N 0 0 335.432 4.007 50 30 EIEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccccc2)cc1 ZINC000031819528 564159973 /nfs/dbraw/zinc/15/99/73/564159973.db2.gz CBCYFHMZWJTVLR-GOSISDBHSA-N 0 0 343.386 4.008 50 30 EIEARN Brc1ccc2[nH]cc(/C=N/OCc3ccccc3)c2c1 ZINC000004107034 564160548 /nfs/dbraw/zinc/16/05/48/564160548.db2.gz OVJSPXCZTQLCDJ-VXLYETTFSA-N 0 0 329.197 4.481 50 30 EIEARN N#Cc1c(NC(=O)C(Cl)(Cl)Cl)sc2c1CCCCC2 ZINC000004155263 564160942 /nfs/dbraw/zinc/16/09/42/564160942.db2.gz XMHVOTLWRFQSKV-UHFFFAOYSA-N 0 0 337.659 4.197 50 30 EIEARN CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 ZINC000066516715 564162688 /nfs/dbraw/zinc/16/26/88/564162688.db2.gz OLZVIHAMNGEJIJ-ONOODXEBSA-N 0 0 332.359 4.116 50 30 EIEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(OCc2ccccn2)cc1 ZINC000040139527 564168294 /nfs/dbraw/zinc/16/82/94/564168294.db2.gz LYNLQXRJCFYFNJ-UHFFFAOYSA-N 0 0 341.366 4.123 50 30 EIEARN COc1c(C)cccc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000004842729 568416421 /nfs/dbraw/zinc/41/64/21/568416421.db2.gz DFLVGHRXBRWZTI-UHFFFAOYSA-N 0 0 326.421 4.068 50 30 EIEARN Cc1ccc(C)c(C(=O)Cc2nc3ccc(Cl)cc3[nH]c2=O)c1 ZINC000670416576 568423126 /nfs/dbraw/zinc/42/31/26/568423126.db2.gz ZUELQPAFEDRROY-SXGWCWSVSA-N 0 0 326.783 4.088 50 30 EIEARN O=C(NC1(c2ccc(F)cc2F)CCCCC1)c1csc(=O)[nH]1 ZINC000329969284 1023611054 /nfs/dbraw/zinc/61/10/54/1023611054.db2.gz XGERMDCOXPNINL-UHFFFAOYSA-N 0 0 338.379 4.291 50 30 EIEARN COC(=O)c1ccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000006637994 1026270673 /nfs/dbraw/zinc/27/06/73/1026270673.db2.gz FCFULCSGWYHBPG-JXMROGBWSA-N 0 0 334.293 4.388 50 30 EIEARN Cn1c2ccccc2sc1=NN=Cc1ccccc1C(F)(F)F ZINC000254403013 1034414449 /nfs/dbraw/zinc/41/44/49/1034414449.db2.gz QDAMZAGNHBVEKW-UHFFFAOYSA-N 0 0 335.354 4.193 50 30 EIEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21C=CC(=O)O1 ZINC000257355560 1034626539 /nfs/dbraw/zinc/62/65/39/1034626539.db2.gz BGUOVGQHDRRBST-MKXNZWAPSA-N 0 0 340.463 4.370 50 30 EIEARN O=C(/C=C/c1cc2ccccc2[nH]c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000170600509 1036695541 /nfs/dbraw/zinc/69/55/41/1036695541.db2.gz VQVNSVNOFPHFOA-AATRIKPKSA-N 0 0 333.431 4.327 50 30 EIEARN COc1cc(C(=O)/C=C\c2ccccc2OC(F)(F)F)ccc1O ZINC000096930380 1039829246 /nfs/dbraw/zinc/82/92/46/1039829246.db2.gz RHUHNWWYIHHFMN-VURMDHGXSA-N 0 0 338.281 4.196 50 30 EIEARN C#CCCC1(CCC(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)N=N1 ZINC000952879735 1049679261 /nfs/dbraw/zinc/67/92/61/1049679261.db2.gz GYTZQUQFQYVRHF-SFHVURJKSA-N 0 0 341.430 4.105 50 30 EIEARN C#CCCC1(CCC(=O)N2CC3(CCCC3)[C@H]2c2ccco2)N=N1 ZINC000952882307 1049680825 /nfs/dbraw/zinc/68/08/25/1049680825.db2.gz UHULOVADWXZUGF-QGZVFWFLSA-N 0 0 325.412 4.079 50 30 EIEARN C#CCOC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000102237632 1054610668 /nfs/dbraw/zinc/61/06/68/1054610668.db2.gz KRWMIGQMOGHYJT-CCEZHUSRSA-N 0 0 343.382 4.495 50 30 EIEARN CN1N=C(c2ccc(Cl)cc2)CS/C1=N\Cc1ccccc1 ZINC000102415714 1054861747 /nfs/dbraw/zinc/86/17/47/1054861747.db2.gz GHSJLAXONSWWLN-ZPHPHTNESA-N 0 0 329.856 4.279 50 30 EIEARN C[C@@H]1CCC[C@H](Nc2c(-c3cccs3)nc3c(C#N)c[nH]n32)[C@@H]1C ZINC000006768768 201697259 /nfs/dbraw/zinc/69/72/59/201697259.db2.gz RMGQXJJBXSYZCU-BZPMIXESSA-N 0 0 339.468 4.499 50 30 EIEARN C=C(C)COc1ccccc1C(=O)N1CCC[C@@H]1c1c(C)noc1C ZINC000055309289 214305855 /nfs/dbraw/zinc/30/58/55/214305855.db2.gz PDSYGOTWSDAASP-QGZVFWFLSA-N 0 0 340.423 4.224 50 30 EIEARN C=C(Cl)CSc1nnc(N2CCCCC2)n1-c1ccccc1 ZINC000057866238 214459026 /nfs/dbraw/zinc/45/90/26/214459026.db2.gz YYQWCFSFQROLEE-UHFFFAOYSA-N 0 0 334.876 4.102 50 30 EIEARN COc1cccc(/C=C/C(=O)c2ccc(N(C)C)cc2)c1OC(C)C ZINC000007586673 201723041 /nfs/dbraw/zinc/72/30/41/201723041.db2.gz XMTHBBQUBCWQHT-SDNWHVSQSA-N 0 0 339.435 4.445 50 30 EIEARN Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(O)cc1 ZINC000012406346 201844616 /nfs/dbraw/zinc/84/46/16/201844616.db2.gz BWMZYJIGHXDPMT-OFLRGPKASA-N 0 0 334.419 4.454 50 30 EIEARN COc1ccccc1/C=C1\S/C(=N\c2ccc(Cl)cc2)NC1=O ZINC000013770916 201914568 /nfs/dbraw/zinc/91/45/68/201914568.db2.gz LVBDHBZEWQIPSL-GDNBJRDFSA-N 0 0 344.823 4.240 50 30 EIEARN C=CCNC(=S)NCC[C@H]1[C@@H](c2c(C)[nH]c3ccccc32)C1(C)C ZINC000003764161 210073206 /nfs/dbraw/zinc/07/32/06/210073206.db2.gz GOXUGZPZDXDYSW-YJBOKZPZSA-N 0 0 341.524 4.256 50 30 EIEARN COc1ccc(OC)c(/C=N/c2sc3c(c2C#N)CCCC3)c1 ZINC000016692836 201978700 /nfs/dbraw/zinc/97/87/00/201978700.db2.gz JVMLPBXRLPUMMR-RGVLZGJSSA-N 0 0 326.421 4.266 50 30 EIEARN CC(C)c1ccc(S(=O)(=O)N/N=C2/C[C@@H](C)CC(C)(C)C2)cc1 ZINC000017070784 201985636 /nfs/dbraw/zinc/98/56/36/201985636.db2.gz QGFBPKHFDJDZKP-DZTQIWHNSA-N 0 0 336.501 4.291 50 30 EIEARN Cc1ccsc1[C@@H]1c2cc3c(cc2NC2=C1C(=O)CCC2)OCO3 ZINC000018196706 201995043 /nfs/dbraw/zinc/99/50/43/201995043.db2.gz RHDJLELLUWWBKB-QGZVFWFLSA-N 0 0 339.416 4.350 50 30 EIEARN Clc1ccccc1/C=N/N1CCN(Cc2ccccc2Cl)CC1 ZINC000019771514 202018787 /nfs/dbraw/zinc/01/87/87/202018787.db2.gz ATINJQLEUWXRMA-FYJGNVAPSA-N 0 0 348.277 4.145 50 30 EIEARN Cc1ccc(CN2CCN(/N=C/c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000019833100 202022000 /nfs/dbraw/zinc/02/20/00/202022000.db2.gz AYZDLHIDZUGOSF-JJIBRWJFSA-N 0 0 349.522 4.444 50 30 EIEARN CN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 ZINC000019881692 202025359 /nfs/dbraw/zinc/02/53/59/202025359.db2.gz KYIDOSWAMZZMBZ-SMSCYPBYSA-N 0 0 333.416 4.402 50 30 EIEARN Cc1cc(I)ccc1/N=C/c1ccccc1O ZINC000020075824 202031387 /nfs/dbraw/zinc/03/13/87/202031387.db2.gz KBUZPHQWKJHXPQ-CXUHLZMHSA-N 0 0 337.160 4.056 50 30 EIEARN N#Cc1ccccc1-c1ccc(Cn2cnc3ccsc3c2=O)cc1 ZINC000022417293 202085051 /nfs/dbraw/zinc/08/50/51/202085051.db2.gz KOTPOIMBNONKBT-UHFFFAOYSA-N 0 0 343.411 4.045 50 30 EIEARN N#Cc1ccc(NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nc1 ZINC000025573174 202133533 /nfs/dbraw/zinc/13/35/33/202133533.db2.gz LVWXWNONZRZBPW-UWVGGRQHSA-N 0 0 337.267 4.275 50 30 EIEARN CCOc1cccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000040139559 202175111 /nfs/dbraw/zinc/17/51/11/202175111.db2.gz FVFLLSCKVIOVEB-MDZDMXLPSA-N 0 0 342.391 4.007 50 30 EIEARN CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO ZINC000032840891 202237441 /nfs/dbraw/zinc/23/74/41/202237441.db2.gz QHZLMUACJMDIAE-SFHVURJKSA-N 0 0 330.509 4.364 50 30 endogenous,in-man EIEARN Cc1ccc(CN2CCN(/N=C\c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000033089326 202249356 /nfs/dbraw/zinc/24/93/56/202249356.db2.gz AYZDLHIDZUGOSF-ULJHMMPZSA-N 0 0 349.522 4.444 50 30 EIEARN Cc1cc(C)c(NCC(=O)NC2(C#N)CCCCCC2)c(Cl)c1 ZINC000032906665 202240752 /nfs/dbraw/zinc/24/07/52/202240752.db2.gz WYKXHNJVPPJYTP-UHFFFAOYSA-N 0 0 333.863 4.102 50 30 EIEARN CCOc1cc(/C=C\C(=O)c2ccc(C#N)cc2)cc(Cl)c1O ZINC000033476395 202262630 /nfs/dbraw/zinc/26/26/30/202262630.db2.gz SGGCIQXFCVFKIW-YVMONPNESA-N 0 0 327.767 4.212 50 30 EIEARN O=C(/C=C\c1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000033472320 202262789 /nfs/dbraw/zinc/26/27/89/202262789.db2.gz KRFSGKHLVPPVPL-CLTKARDFSA-N 0 0 331.165 4.074 50 30 EIEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc2ccccc2[nH]1 ZINC000032908464 212868694 /nfs/dbraw/zinc/86/86/94/212868694.db2.gz WDTAKHPZCGLEJY-UHFFFAOYSA-N 0 0 337.382 4.215 50 30 EIEARN C#CCOc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2ccccc2)c1 ZINC000031820730 212750160 /nfs/dbraw/zinc/75/01/60/212750160.db2.gz AHPSMCQWWYYVFH-GOSISDBHSA-N 0 0 343.386 4.008 50 30 EIEARN COc1ccc(Br)cc1/C=C\C(=O)c1ccc(C#N)cc1 ZINC000033784530 202269245 /nfs/dbraw/zinc/26/92/45/202269245.db2.gz IHRRFIBARNCEHA-VURMDHGXSA-N 0 0 342.192 4.225 50 30 EIEARN O=C(/C=C\c1nc2ccccc2[nH]1)c1ccc(Br)cc1 ZINC000033768776 201073901 /nfs/dbraw/zinc/07/39/01/201073901.db2.gz JWIMYKOAKQACEZ-KTKRTIGZSA-N 0 0 327.181 4.222 50 30 EIEARN Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1 ZINC000005180337 201362268 /nfs/dbraw/zinc/36/22/68/201362268.db2.gz XQOSIXOCKHBDPL-ODLFYWEKSA-N 0 0 346.338 4.423 50 30 EIEARN Cc1oc2cc(OCC#N)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000002423980 201359141 /nfs/dbraw/zinc/35/91/41/201359141.db2.gz BOAMSBRLPACUMH-UHFFFAOYSA-N 0 0 325.751 4.324 50 30 biogenic EIEARN CC[C@@H](C)Nc1nc2c(C)cccn2c(=O)c1/C=N/c1ccc(C)cc1 ZINC000101164367 201388111 /nfs/dbraw/zinc/38/81/11/201388111.db2.gz IYRFRFVTLPZJKY-QLPFJNHISA-N 0 0 348.450 4.272 50 30 EIEARN Cc1cc(NC(=O)c2sc3ccc(F)cc3c2C)n(CCC#N)n1 ZINC000058245622 202747246 /nfs/dbraw/zinc/74/72/46/202747246.db2.gz IHBLVIUJEYGONC-UHFFFAOYSA-N 0 0 342.399 4.020 50 30 EIEARN Cc1c(/N=C/c2cc(Br)ccc2O)cccc1[N+](=O)[O-] ZINC000000045819 201426619 /nfs/dbraw/zinc/42/66/19/201426619.db2.gz VRZLOCZDOZDWJY-LZYBPNLTSA-N 0 0 335.157 4.122 50 30 EIEARN C#Cc1cccc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2C)c1 ZINC000023010035 212341879 /nfs/dbraw/zinc/34/18/79/212341879.db2.gz PTHDXBGZOLMLDD-UHFFFAOYSA-N 0 0 343.430 4.090 50 30 EIEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccc(Br)cc1)CO2 ZINC000022958044 212339803 /nfs/dbraw/zinc/33/98/03/212339803.db2.gz DXLWPXJOBLXBEP-XYOKQWHBSA-N 0 0 345.192 4.116 50 30 EIEARN N#CCc1ccc(NC(=O)COc2cccc(Cl)c2Cl)cc1 ZINC000000094661 201433070 /nfs/dbraw/zinc/43/30/70/201433070.db2.gz RAUKYQHXPGZDLL-UHFFFAOYSA-N 0 0 335.190 4.077 50 30 EIEARN COc1ccc(Nc2ncc(C#N)c(Nc3ccccc3)c2C#N)cc1 ZINC000000235468 201451661 /nfs/dbraw/zinc/45/16/61/201451661.db2.gz DUXQEVILMGHGCW-UHFFFAOYSA-N 0 0 341.374 4.321 50 30 EIEARN CC(Nc1ccccc1C(F)(F)F)=C1C(=O)c2ccccc2C1=O ZINC000000434178 201473271 /nfs/dbraw/zinc/47/32/71/201473271.db2.gz QVHQYNRXQLIOSK-UHFFFAOYSA-N 0 0 331.293 4.471 50 30 EIEARN C[C@@H](Nc1oc(COc2ccc(F)cc2)nc1C#N)c1ccccc1 ZINC000000525187 201482923 /nfs/dbraw/zinc/48/29/23/201482923.db2.gz VKWJBSYPNSYWCC-CYBMUJFWSA-N 0 0 337.354 4.437 50 30 EIEARN COc1cccc(Nc2cc(C)c(C#N)c3nc4ccccc4n32)c1 ZINC000001016628 201496796 /nfs/dbraw/zinc/49/67/96/201496796.db2.gz RNWFCZWZPRABEP-UHFFFAOYSA-N 0 0 328.375 4.420 50 30 EIEARN CC(=O)Nc1ccc2nc(SCc3ccccc3C#N)sc2c1 ZINC000000468255 201477151 /nfs/dbraw/zinc/47/71/51/201477151.db2.gz SDELKODFFARDNG-UHFFFAOYSA-N 0 0 339.445 4.419 50 30 EIEARN CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccs1 ZINC000000525499 201482338 /nfs/dbraw/zinc/48/23/38/201482338.db2.gz NJXJQFGWDYJOCB-UHFFFAOYSA-N 0 0 326.450 4.190 50 30 EIEARN N#Cc1c(Cl)nc(-c2cccnc2)nc1-c1ccc(Cl)cc1 ZINC000001393393 201505669 /nfs/dbraw/zinc/50/56/69/201505669.db2.gz AVWBORVPDMRUBE-UHFFFAOYSA-N 0 0 327.174 4.384 50 30 EIEARN N#Cc1ccsc1NC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000003447407 201571824 /nfs/dbraw/zinc/57/18/24/201571824.db2.gz BLQDLMTVKQWCTQ-UHFFFAOYSA-N 0 0 342.367 4.369 50 30 EIEARN N#Cc1ccccc1COC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000003523452 201575626 /nfs/dbraw/zinc/57/56/26/201575626.db2.gz KQPAWARCMNTZLQ-UHFFFAOYSA-N 0 0 341.366 4.146 50 30 EIEARN CC(C)(C)c1cnnn1-c1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC000003900014 201584789 /nfs/dbraw/zinc/58/47/89/201584789.db2.gz PGNOTCFFKVBESU-SDNWHVSQSA-N 0 0 331.419 4.461 50 30 EIEARN Fc1cccc(Cl)c1CON=CNc1ncnc2sccc21 ZINC000004013856 201586415 /nfs/dbraw/zinc/58/64/15/201586415.db2.gz OZNSOBXHKFCERC-UHFFFAOYSA-N 0 0 336.779 4.056 50 30 EIEARN CCSC1=N/C(=C\c2ccccc2Br)C(=O)S1 ZINC000004755401 201616472 /nfs/dbraw/zinc/61/64/72/201616472.db2.gz YXXZWZPDQTXDOW-YFHOEESVSA-N 0 0 328.256 4.173 50 30 EIEARN O=C(C=CNCc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000004756238 201616995 /nfs/dbraw/zinc/61/69/95/201616995.db2.gz QNTWDIPWXARMFG-MDZDMXLPSA-N 0 0 334.188 4.074 50 30 EIEARN Cc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 ZINC000004914627 201626556 /nfs/dbraw/zinc/62/65/56/201626556.db2.gz YBQTUUQRSYFIFD-YJBOKZPZSA-N 0 0 349.405 4.138 50 30 EIEARN CC[C@@H](C)Oc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000004916418 201626861 /nfs/dbraw/zinc/62/68/61/201626861.db2.gz OCIYDOVPQKMEKK-HIFRSBDPSA-N 0 0 341.451 4.111 50 30 EIEARN CC(C)(C)OC(=O)CSc1nc2c(cc1C#N)CCCCCC2 ZINC000005078092 201637792 /nfs/dbraw/zinc/63/77/92/201637792.db2.gz MGKATIKUOBSZTK-UHFFFAOYSA-N 0 0 332.469 4.046 50 30 EIEARN N#Cc1ccc(CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 ZINC000006549792 201684943 /nfs/dbraw/zinc/68/49/43/201684943.db2.gz SPIUXDJXELGTHE-UHFFFAOYSA-N 0 0 332.432 4.309 50 30 EIEARN C[C@H](NC(=O)Cc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1 ZINC000069569426 203021011 /nfs/dbraw/zinc/02/10/11/203021011.db2.gz RNLXXTQLDGOALG-AWEZNQCLSA-N 0 0 347.443 4.102 50 30 EIEARN N#Cc1cccc(C=CC(=O)Nc2cccc(-n3cc[nH]c3=S)c2)c1 ZINC000069558753 203018180 /nfs/dbraw/zinc/01/81/80/203018180.db2.gz 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/nfs/dbraw/zinc/75/96/76/203759676.db2.gz PFCCAHMXFBTSOZ-LCYFTJDESA-N 0 0 327.477 4.106 50 30 EIEARN COc1ccc(NN=C2c3ccccc3N(c3ccccc3)C2=O)cc1 ZINC000100327213 203993079 /nfs/dbraw/zinc/99/30/79/203993079.db2.gz ZTNYDCJKFFHMJC-ATJXCDBQSA-N 0 0 343.386 4.190 50 30 EIEARN Cc1c/c(=N\c2ccc(Cl)cc2)n2c3ccccc3[nH]c2c1C#N ZINC000102491786 204040063 /nfs/dbraw/zinc/04/00/63/204040063.db2.gz VUONIYZHTKMGMY-RELWKKBWSA-N 0 0 332.794 4.487 50 30 EIEARN Cc1ccc(C)c(C(=O)Cc2nc3cc(Cl)ccc3oc2=O)c1 ZINC000101355762 204005213 /nfs/dbraw/zinc/00/52/13/204005213.db2.gz IMTYPLFLLYPUKE-OQLLNIDSSA-N 0 0 327.767 4.055 50 30 EIEARN COc1ccc(-c2cnc(SCC#N)n2-c2ccc(C)cc2)cc1 ZINC000044085511 204295076 /nfs/dbraw/zinc/29/50/76/204295076.db2.gz KSKZJUXQAJUWNT-UHFFFAOYSA-N 0 0 335.432 4.472 50 30 EIEARN O=C(/C(=C\c1cccnc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000005616699 205779525 /nfs/dbraw/zinc/77/95/25/205779525.db2.gz CPYYSHRDCIUAKX-GHRIWEEISA-N 0 0 325.371 4.381 50 30 EIEARN CC(=O)c1ccc(NC=CC(=O)c2ccc(Br)cc2)cc1 ZINC000100661889 206255342 /nfs/dbraw/zinc/25/53/42/206255342.db2.gz ZSBQRIPAWOXYOM-KHPPLWFESA-N 0 0 344.208 4.460 50 30 EIEARN Cc1cc(OCCCC(=O)Nc2cccc(C#N)c2)ccc1Cl ZINC000002642687 206411794 /nfs/dbraw/zinc/41/17/94/206411794.db2.gz UCALQNFCDPMAMY-UHFFFAOYSA-N 0 0 328.799 4.318 50 30 EIEARN N#CCOC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1 ZINC000004469905 206490695 /nfs/dbraw/zinc/49/06/95/206490695.db2.gz HJNSYCKPTZWBCL-YPKPFQOOSA-N 0 0 344.370 4.385 50 30 EIEARN Cc1cc(SCC(=O)Nc2ccccc2C#N)nc2ccccc12 ZINC000006831496 206520273 /nfs/dbraw/zinc/52/02/73/206520273.db2.gz INSDFGRZKOCSRU-UHFFFAOYSA-N 0 0 333.416 4.146 50 30 EIEARN C=CCN1C(=O)c2oc3cc(C)ccc3c(=O)c2[C@@H]1c1ccc(C)cc1 ZINC000012062505 211284772 /nfs/dbraw/zinc/28/47/72/211284772.db2.gz QEWMETWSBSFMDU-IBGZPJMESA-N 0 0 345.398 4.141 50 30 EIEARN C=CCC(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000011997647 211277713 /nfs/dbraw/zinc/27/77/13/211277713.db2.gz NHIPRRLWXYOAPU-CQSZACIVSA-N 0 0 325.374 4.453 50 30 EIEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000011592645 211223882 /nfs/dbraw/zinc/22/38/82/211223882.db2.gz POZRVZJJTULAOH-RGRLZIOBSA-N 0 0 337.463 4.221 50 30 in-vitro EIEARN C=C(C)Cn1cnc2c(sc3nc(C(C)C)c4c(c32)CCC4)c1=O ZINC000009422002 211083065 /nfs/dbraw/zinc/08/30/65/211083065.db2.gz GLAJMOAWSYLYMN-UHFFFAOYSA-N 0 0 339.464 4.194 50 30 EIEARN COc1ccc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc1OC(F)F ZINC000012609400 207179968 /nfs/dbraw/zinc/17/99/68/207179968.db2.gz OJWSVNLZXAIYJV-ONNFQVAWSA-N 0 0 347.361 4.259 50 30 EIEARN N#Cc1cccc(C(=O)OCc2cc(-c3ccc(Cl)cc3)no2)c1 ZINC000012820387 207249787 /nfs/dbraw/zinc/24/97/87/207249787.db2.gz MTMCLZWLVYKIEL-UHFFFAOYSA-N 0 0 338.750 4.224 50 30 EIEARN C=CCNC(=S)N(C1=NCC(C)(C)S1)c1ccc(C)c(C)c1 ZINC000005659321 210510305 /nfs/dbraw/zinc/51/03/05/210510305.db2.gz OETMFLSNTBSGEU-UHFFFAOYSA-N 0 0 333.526 4.052 50 30 EIEARN C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)n[nH]c1=S ZINC000005685823 210516029 /nfs/dbraw/zinc/51/60/29/210516029.db2.gz 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/nfs/dbraw/zinc/01/67/38/258016738.db2.gz CSYKPTNDTZXMHU-UHFFFAOYSA-N 0 0 349.887 4.492 50 30 EIEARN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000003443641 258050672 /nfs/dbraw/zinc/05/06/72/258050672.db2.gz PALNXGRGHUVMGX-IERDGZPVSA-N 0 0 336.435 4.175 50 30 EIEARN CC(/C=N/N1CCN(Cc2ccc(C)cc2)CC1)=C/c1ccccc1 ZINC000013636110 258056230 /nfs/dbraw/zinc/05/62/30/258056230.db2.gz UOHOVYKBZWJONO-QCNXKRQXSA-N 0 0 333.479 4.202 50 30 EIEARN CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccccc2F)cc1 ZINC000032831760 258058437 /nfs/dbraw/zinc/05/84/37/258058437.db2.gz DVNVSKIUDNJFQU-FMIVXFBMSA-N 0 0 326.371 4.252 50 30 EIEARN C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(N(C)C)c1 ZINC000069670070 258063717 /nfs/dbraw/zinc/06/37/17/258063717.db2.gz RPWWVAVZFQXOKH-AWEZNQCLSA-N 0 0 339.464 4.257 50 30 EIEARN CCOC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]12C ZINC000257346312 258073680 /nfs/dbraw/zinc/07/36/80/258073680.db2.gz YAPZUKSWNYMANR-YVTZDOGHSA-N 0 0 330.468 4.308 50 30 EIEARN COC(=O)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C=CCC[C@@]4(C)[C@@H]3CC[C@]12C ZINC000257346517 258073684 /nfs/dbraw/zinc/07/36/84/258073684.db2.gz NYAVTQHXZMLSRY-PJPRDRFHSA-N 0 0 328.452 4.084 50 30 EIEARN O=C(/C=C\c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 ZINC000034782521 132388520 /nfs/dbraw/zinc/38/85/20/132388520.db2.gz LCUHOSRXQHYXCP-KMKOMSMNSA-N 0 0 327.811 4.073 50 30 EIEARN C#CCN1C(=O)S/C(=C/c2ccc(Sc3ccccc3)o2)C1=O ZINC000004694622 518265113 /nfs/dbraw/zinc/26/51/13/518265113.db2.gz BBAXMYHFLBQLIO-SDNWHVSQSA-N 0 0 341.413 4.100 50 30 EIEARN C#CCOc1ccc(CNc2cccc(C)c2)cc1Br ZINC000004678039 518325347 /nfs/dbraw/zinc/32/53/47/518325347.db2.gz KULDFPSCIRTPRV-UHFFFAOYSA-N 0 0 330.225 4.382 50 30 EIEARN C#Cc1cccc(NC(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)c1 ZINC000056587331 518365198 /nfs/dbraw/zinc/36/51/98/518365198.db2.gz FWEJKTCIVUMYRO-UHFFFAOYSA-N 0 0 346.430 4.103 50 30 EIEARN Cc1cc(-c2ccccc2)nc(N=NC(C)c2cccc([N+](=O)[O-])c2)n1 ZINC000004348589 518467030 /nfs/dbraw/zinc/46/70/30/518467030.db2.gz BNRNKYTWMZCIKY-HYARGMPZSA-N 0 0 347.378 4.196 50 30 EIEARN C=CCNC(=O)c1cc2sc(C)cc2n1CCOc1ccccc1 ZINC000037542431 518934701 /nfs/dbraw/zinc/93/47/01/518934701.db2.gz MWMYOPCKMFKFHY-UHFFFAOYSA-N 0 0 340.448 4.006 50 30 EIEARN C=CCc1ccc(OCCOCCOc2ccccc2F)c(OC)c1 ZINC000002985126 519137050 /nfs/dbraw/zinc/13/70/50/519137050.db2.gz BTHVADWQNMZCIM-UHFFFAOYSA-N 0 0 346.398 4.037 50 30 EIEARN C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3[nH]2)c1C ZINC000012508032 519171005 /nfs/dbraw/zinc/17/10/05/519171005.db2.gz QQWLRTCPDKLDOE-UHFFFAOYSA-N 0 0 325.437 4.142 50 30 EIEARN C=C[C@H](CCN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000004154882 519300068 /nfs/dbraw/zinc/30/00/68/519300068.db2.gz RHBSKIAGHCMHAJ-VBEHJTROSA-N 0 0 340.339 4.261 50 30 EIEARN CCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)OC ZINC000064858492 520314482 /nfs/dbraw/zinc/31/44/82/520314482.db2.gz HVBMOWIJGLUCFB-PMPHTVEESA-N 0 0 348.483 4.145 50 30 in-vitro EIEARN CCOc1cc(/C=C\C(=O)c2cccc(OC)c2)cc(Cl)c1O ZINC000033476410 520637896 /nfs/dbraw/zinc/63/78/96/520637896.db2.gz YYBQPRRZDBEOSN-FPLPWBNLSA-N 0 0 332.783 4.349 50 30 EIEARN CCOc1ccc([C@H](CC(=O)c2ccccc2)C(C#N)C#N)cc1OC ZINC000000377306 521262008 /nfs/dbraw/zinc/26/20/08/521262008.db2.gz JRPZCZOOSRRHQV-SFHVURJKSA-N 0 0 348.402 4.114 50 30 EIEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccco1)O2 ZINC000020533274 521649473 /nfs/dbraw/zinc/64/94/73/521649473.db2.gz JWYLFEDDCCCFLO-PDGQHHTCSA-N 0 0 341.407 4.223 50 30 EIEARN COc1cc(/C=C\C(=O)c2ccc(O)cc2)ccc1OCC(C)C ZINC000033469730 521981737 /nfs/dbraw/zinc/98/17/37/521981737.db2.gz MXTXJRPFPIBEBI-WMZJFQQLSA-N 0 0 326.392 4.332 50 30 EIEARN CN(CC(=O)/C=C1\N(C)c2ccccc2C1(C)C)Cc1cccs1 ZINC000016586901 522420698 /nfs/dbraw/zinc/42/06/98/522420698.db2.gz IXEGNKOGLRXMOB-UNOMPAQXSA-N 0 0 340.492 4.061 50 30 EIEARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC#Cc1ccccc1 ZINC000040071275 523218643 /nfs/dbraw/zinc/21/86/43/523218643.db2.gz QLSHJGZOJVJEOX-UHFFFAOYSA-N 0 0 347.245 4.187 50 30 EIEARN CCn1nccc1/C=C1/CCCc2cc(Br)ccc2C1=O ZINC000328593141 523706566 /nfs/dbraw/zinc/70/65/66/523706566.db2.gz HKVVRIJIGCAZCW-QBFSEMIESA-N 0 0 345.240 4.268 50 30 EIEARN COc1ccccc1/C=C/C(=O)c1ccc(OC(=O)c2ccco2)cc1 ZINC000004993709 524316152 /nfs/dbraw/zinc/31/61/52/524316152.db2.gz BCLFKKHWBMVGKE-JLHYYAGUSA-N 0 0 348.354 4.404 50 30 EIEARN COc1ccccc1/C=C/C(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000004832660 524316565 /nfs/dbraw/zinc/31/65/65/524316565.db2.gz QOGZJDVAJDLGKQ-JLHYYAGUSA-N 0 0 347.370 4.437 50 30 EIEARN COc1ccccc1C(=O)Nc1ccc(C(=O)/C=C\c2ccco2)cc1 ZINC000033922198 524357319 /nfs/dbraw/zinc/35/73/19/524357319.db2.gz QVLRFVYWXCOEPW-SEYXRHQNSA-N 0 0 347.370 4.437 50 30 EIEARN C[C@@H](CC(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000041556525 524397371 /nfs/dbraw/zinc/39/73/71/524397371.db2.gz YTSMFGQLQYDWEA-SWLSCSKDSA-N 0 0 332.325 4.470 50 30 EIEARN Cc1ccc(Nc2nnc(SC[C@H](C#N)CCC#N)s2)c(C)c1 ZINC000007033076 525330691 /nfs/dbraw/zinc/33/06/91/525330691.db2.gz DABAREYIUZAPPL-ZDUSSCGKSA-N 0 0 343.481 4.434 50 30 EIEARN N#CCC(=O)Nc1ccc(C(=O)OCc2cccc3ccccc32)cc1 ZINC000005812912 526443202 /nfs/dbraw/zinc/44/32/02/526443202.db2.gz PBIJUUMCWGXRJY-UHFFFAOYSA-N 0 0 344.370 4.049 50 30 EIEARN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)c1ccc2c(c1)OCO2 ZINC000006526599 527537497 /nfs/dbraw/zinc/53/74/97/527537497.db2.gz TZUMHGNAWOBUHF-MDZDMXLPSA-N 0 0 346.386 4.114 50 30 biogenic,in-vitro EIEARN OCc1cccc(/N=C/c2ccc(/C=N/c3cccc(CO)c3)cc2)c1 ZINC000000561257 527635749 /nfs/dbraw/zinc/63/57/49/527635749.db2.gz WNFJDRAKMDKXLC-RNIAWFEPSA-N 0 0 344.414 4.172 50 30 EIEARN CCCC(=O)C1=C(N2CCCC2)C[C@H](C[C@H](C)SCC)CC1=O ZINC000000287490 563273105 /nfs/dbraw/zinc/27/31/05/563273105.db2.gz MDCRZNOMFMQRMO-GJZGRUSLSA-N 0 0 337.529 4.216 50 30 EIEARN Cc1ccc(NC(=S)N/N=C/c2c(O)ccc3ccccc32)cc1 ZINC000000046268 563213240 /nfs/dbraw/zinc/21/32/40/563213240.db2.gz YLYDDJUPJXGJTP-UDWIEESQSA-N 0 0 335.432 4.174 50 30 EIEARN Cc1c(/N=C/c2ccc(C(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000000061143 563214034 /nfs/dbraw/zinc/21/40/34/563214034.db2.gz VBEGJFKKGYNONM-HYARGMPZSA-N 0 0 333.435 4.358 50 30 EIEARN O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000000106662 563227867 /nfs/dbraw/zinc/22/78/67/563227867.db2.gz YRROALCVPAGLLZ-IBGZPJMESA-N 0 0 335.363 4.181 50 30 EIEARN COc1ccccc1N1CCN(/N=C/c2cccc3ccccc23)CC1 ZINC000000230032 563263412 /nfs/dbraw/zinc/26/34/12/563263412.db2.gz ADDPDDKPIKEOSO-HAVVHWLPSA-N 0 0 345.446 4.005 50 30 EIEARN CC(/C=N/N1C(=O)c2ccccc2C1=O)=C\c1ccc(C(C)C)cc1 ZINC000000294332 563274177 /nfs/dbraw/zinc/27/41/77/563274177.db2.gz MLFNJSLFTCWMII-LJMWNDBKSA-N 0 0 332.403 4.495 50 30 EIEARN O=C1CCCC2=C1C(c1ccc(O)c(Cl)c1)C1=C(CCCC1=O)O2 ZINC000000310705 563280643 /nfs/dbraw/zinc/28/06/43/563280643.db2.gz FKIDOPRASAVXIX-UHFFFAOYSA-N 0 0 344.794 4.174 50 30 EIEARN COc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)C(C#N)C#N)cc1 ZINC000000401109 563305911 /nfs/dbraw/zinc/30/59/11/563305911.db2.gz FZOCWTJIZMLWSE-GOSISDBHSA-N 0 0 338.794 4.369 50 30 EIEARN Clc1ccc(COc2ccc(/C=N/n3cnnc3)cc2)c(Cl)c1 ZINC000000439836 563313512 /nfs/dbraw/zinc/31/35/12/563313512.db2.gz QFTZBPNRGZCBGR-ODCIPOBUSA-N 0 0 347.205 4.046 50 30 EIEARN Cc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)ccc1[N+](=O)[O-] ZINC000000476334 563334440 /nfs/dbraw/zinc/33/44/40/563334440.db2.gz FKCXASZEBVKAQZ-UHFFFAOYSA-N 0 0 346.412 4.439 50 30 EIEARN CC1(C)CC(=O)C(=NNc2ccc(SC(F)(F)F)cc2)C(=O)C1 ZINC000001454680 563389913 /nfs/dbraw/zinc/38/99/13/563389913.db2.gz DIBBVAWACFTUOF-UHFFFAOYSA-N 0 0 344.358 4.025 50 30 EIEARN CCc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000002318719 563429350 /nfs/dbraw/zinc/42/93/50/563429350.db2.gz KDOYKSZKEHARTE-YBFXNURJSA-N 0 0 342.855 4.332 50 30 EIEARN O=C(Nc1nc2ccccc2s1)C(F)(F)C(F)(F)C(F)(F)F ZINC000002565365 563441917 /nfs/dbraw/zinc/44/19/17/563441917.db2.gz ODWFXLFCDKPTHY-UHFFFAOYSA-N 0 0 346.227 4.068 50 30 EIEARN Nc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F ZINC000002567270 563442252 /nfs/dbraw/zinc/44/22/52/563442252.db2.gz DVKUPHGYOMHVDR-UHFFFAOYSA-N 0 0 331.137 4.188 50 30 EIEARN COc1ccc(C(=O)C=CNc2ccc(Br)cc2)cc1 ZINC000002994164 563468521 /nfs/dbraw/zinc/46/85/21/563468521.db2.gz SMXZMZKSZUWISO-ZHACJKMWSA-N 0 0 332.197 4.266 50 30 EIEARN COc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000004321525 563500091 /nfs/dbraw/zinc/50/00/91/563500091.db2.gz QTQMVTBFHUBMEZ-DJKKODMXSA-N 0 0 339.273 4.068 50 30 EIEARN CCOc1ccccc1/C=N/NC(=S)Nc1cccc(Cl)c1 ZINC000004360406 563501526 /nfs/dbraw/zinc/50/15/26/563501526.db2.gz VELNNSDHYZDVGQ-WOJGMQOQSA-N 0 0 333.844 4.059 50 30 EIEARN Cc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 ZINC000004520715 563504149 /nfs/dbraw/zinc/50/41/49/563504149.db2.gz AODLUYOBLGFFGE-CABCVRRESA-N 0 0 337.444 4.061 50 30 EIEARN Cc1ccc2c(c1)/C(=N/N(c1ccccc1)c1ccccc1)C(=O)N2 ZINC000004611030 563505814 /nfs/dbraw/zinc/50/58/14/563505814.db2.gz JKBQPMSMXKYLKA-UHFFFAOYSA-N 0 0 327.387 4.490 50 30 EIEARN Cc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000004914618 563515391 /nfs/dbraw/zinc/51/53/91/563515391.db2.gz YBQTUUQRSYFIFD-CRAIPNDOSA-N 0 0 349.405 4.138 50 30 EIEARN CC[C@H](C)Oc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004916441 563515427 /nfs/dbraw/zinc/51/54/27/563515427.db2.gz QNUNGVJWXXIRMO-BBRMVZONSA-N 0 0 341.451 4.111 50 30 EIEARN Cc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000004914615 563515434 /nfs/dbraw/zinc/51/54/34/563515434.db2.gz YBQTUUQRSYFIFD-QAPCUYQASA-N 0 0 349.405 4.138 50 30 EIEARN CC(=CCc1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004947932 563515856 /nfs/dbraw/zinc/51/58/56/563515856.db2.gz IBKAGWRDYUUHDR-VGMCZUJFSA-N 0 0 326.312 4.004 50 30 EIEARN COc1ccc(-c2cnnc(N=NC=C(C)Cc3ccccc3)n2)cc1 ZINC000005151554 563521694 /nfs/dbraw/zinc/52/16/94/563521694.db2.gz NRXXBEZESLWGHJ-XLLHXKPXSA-N 0 0 345.406 4.048 50 30 EIEARN COc1ccc(Br)cc1/C=C/C(=O)c1ccc(O)cc1 ZINC000008730065 563638038 /nfs/dbraw/zinc/63/80/38/563638038.db2.gz ORCQJAUSIVGUQM-XBXARRHUSA-N 0 0 333.181 4.059 50 30 EIEARN C=CCNc1ccc2c3c1cccc3C(=O)N(c1ccccc1)C2=O ZINC000002471023 563649160 /nfs/dbraw/zinc/64/91/60/563649160.db2.gz YKAPZEAFDFSCRY-UHFFFAOYSA-N 0 0 328.371 4.238 50 30 EIEARN Clc1cccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000012561021 563663025 /nfs/dbraw/zinc/66/30/25/563663025.db2.gz JPMDCIVQXOUOON-FYJGNVAPSA-N 0 0 348.277 4.145 50 30 EIEARN CNC(=S)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1Cl ZINC000013496992 563699813 /nfs/dbraw/zinc/69/98/13/563699813.db2.gz BBYFZWXQKILYRQ-MRXNPFEDSA-N 0 0 329.856 4.407 50 30 EIEARN O=[N+]([O-])c1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1Cl ZINC000004455822 563720777 /nfs/dbraw/zinc/72/07/77/563720777.db2.gz FSYNIJIYIDBWEZ-KPSZGOFPSA-N 0 0 344.680 4.108 50 30 EIEARN COc1ccccc1/C=C1\S/C(=N\c2cccc(Cl)c2)NC1=O ZINC000013768672 563722192 /nfs/dbraw/zinc/72/21/92/563722192.db2.gz GQNDQZHKHQVHSS-DHDCSXOGSA-N 0 0 344.823 4.240 50 30 EIEARN Cc1nn(-c2ccccc2)c(C)c1/C=N/C1=NN(c2ccccc2)CC1 ZINC000013957980 563733175 /nfs/dbraw/zinc/73/31/75/563733175.db2.gz KICBOKAWNCTNDE-PXLXIMEGSA-N 0 0 343.434 4.132 50 30 EIEARN O=C1c2ccccc2C(=O)C1=Cc1csc(-c2ccc(F)cc2)n1 ZINC000014197016 563749320 /nfs/dbraw/zinc/74/93/20/563749320.db2.gz AKIDDKAUDURXNX-UHFFFAOYSA-N 0 0 335.359 4.412 50 30 EIEARN Cc1cccc(/N=C2/C(=O)Nc3ccc(Br)cc32)c1C ZINC000015134546 563778725 /nfs/dbraw/zinc/77/87/25/563778725.db2.gz KMEMICFMYKZYIV-UHFFFAOYSA-N 0 0 329.197 4.139 50 30 EIEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(Cl)s1 ZINC000032908456 563800128 /nfs/dbraw/zinc/80/01/28/563800128.db2.gz JHHZZMJFOLGMOI-UHFFFAOYSA-N 0 0 338.819 4.449 50 30 EIEARN Cc1ccc(/N=C2/C(=O)Nc3ccc(Br)cc32)cc1Cl ZINC000017988538 563847134 /nfs/dbraw/zinc/84/71/34/563847134.db2.gz NVKMBCYRXCTBPM-UHFFFAOYSA-N 0 0 349.615 4.484 50 30 EIEARN CCSC1=N/C(=C\C=C2/Oc3ccccc3N2CC)C(=O)S1 ZINC000004713926 563918864 /nfs/dbraw/zinc/91/88/64/563918864.db2.gz MNYFVQMYUGLTJW-RGPVUHAUSA-N 0 0 332.450 4.013 50 30 EIEARN Cc1cc(Nc2ccc([N+](=O)[O-])cc2)n2c3ccccc3nc2c1C#N ZINC000004595353 563924760 /nfs/dbraw/zinc/92/47/60/563924760.db2.gz KZWNTHGBNDEWQC-UHFFFAOYSA-N 0 0 343.346 4.319 50 30 EIEARN N#CC(C(=O)CCc1cscn1)c1nc2cc(Cl)ccc2s1 ZINC000071905014 563931770 /nfs/dbraw/zinc/93/17/70/563931770.db2.gz WRAUDTIFTGCVBO-NSHDSACASA-N 0 0 347.852 4.215 50 30 EIEARN Cc1noc2c1[C@H](c1cccc(F)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000013732948 563932452 /nfs/dbraw/zinc/93/24/52/563932452.db2.gz ZPCNYYAINQHUMD-INIZCTEOSA-N 0 0 326.371 4.323 50 30 EIEARN COc1ccc(-c2csc(C(C#N)C(=O)[C@H]3CC=CCC3)n2)cc1 ZINC000058305086 563942085 /nfs/dbraw/zinc/94/20/85/563942085.db2.gz VYQDGBQCUAQOJP-GOEBONIOSA-N 0 0 338.432 4.351 50 30 EIEARN Cn1cc(/C=C/C(=O)c2ccc(Cl)s2)c(-c2ccncc2)n1 ZINC000058344371 563943194 /nfs/dbraw/zinc/94/31/94/563943194.db2.gz ALUSHIXEASHTDG-NSCUHMNNSA-N 0 0 329.812 4.093 50 30 EIEARN C[C@H](C#N)CN(C)c1nc(C2CC2)nc2sc3c(c21)CCCC3 ZINC000058406807 563945066 /nfs/dbraw/zinc/94/50/66/563945066.db2.gz NKQZSMBMNUZGHE-LLVKDONJSA-N 0 0 326.469 4.043 50 30 EIEARN CCCN(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000058424795 563945941 /nfs/dbraw/zinc/94/59/41/563945941.db2.gz FFKATYLYMOONME-UHFFFAOYSA-N 0 0 337.423 4.205 50 30 EIEARN COc1ccc(C(=O)/C=C/c2ccc(OC(C)C)cc2)cc1OC ZINC000059269445 563947855 /nfs/dbraw/zinc/94/78/55/563947855.db2.gz YDCUNMOHIDCJEM-YRNVUSSQSA-N 0 0 326.392 4.387 50 30 EIEARN CC(C)c1ccoc1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000284285396 563963327 /nfs/dbraw/zinc/96/33/27/563963327.db2.gz SIUVVPDTUIMQBO-CQSZACIVSA-N 0 0 347.212 4.160 50 30 EIEARN Cn1c2ccccc2nc1C(=O)/C=C/c1ccc(Br)cc1 ZINC000004725858 563966316 /nfs/dbraw/zinc/96/63/16/563966316.db2.gz WCFFOWTWNWHHFD-DHZHZOJOSA-N 0 0 341.208 4.232 50 30 EIEARN Oc1ccc(C=NNc2nc3ccccc3c3ccccc32)cc1O ZINC000004729513 563966531 /nfs/dbraw/zinc/96/65/31/563966531.db2.gz WCHJAQAJDHDDPQ-CIAFOILYSA-N 0 0 329.359 4.245 50 30 EIEARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(CC#N)cc1 ZINC000000037228 563968395 /nfs/dbraw/zinc/96/83/95/563968395.db2.gz CAAPHPPWTOJOHS-LLVKDONJSA-N 0 0 349.217 4.465 50 30 EIEARN N#Cc1ccc(F)c(CSc2ncnc3sc4c(c32)CCC4)c1 ZINC000011316841 563973387 /nfs/dbraw/zinc/97/33/87/563973387.db2.gz NVJUBVZKTWMUKP-UHFFFAOYSA-N 0 0 341.436 4.483 50 30 EIEARN CCCCCCCCOC(=O)NCNC(=O)OCCCCCC ZINC000098050253 563973587 /nfs/dbraw/zinc/97/35/87/563973587.db2.gz CKCUWUNGROKOHR-UHFFFAOYSA-N 0 0 330.469 4.337 50 30 EIEARN CCc1c(C)sc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1C#N ZINC000033318456 563973679 /nfs/dbraw/zinc/97/36/79/563973679.db2.gz YOJLDKPFCFOVEB-FPLPWBNLSA-N 0 0 341.392 4.051 50 30 EIEARN Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1ccc([N+](=O)[O-])cc1 ZINC000004808915 563974894 /nfs/dbraw/zinc/97/48/94/563974894.db2.gz HCEYHIVVCLNQCG-YBFXNURJSA-N 0 0 340.770 4.493 50 30 EIEARN N#C[C@@H]1CCCN(C(=O)Nc2cccc(OCc3ccccc3)c2)C1 ZINC000095507048 563977175 /nfs/dbraw/zinc/97/71/75/563977175.db2.gz MZOLNUDAXRRPSE-KRWDZBQOSA-N 0 0 335.407 4.033 50 30 EIEARN Cc1cc2cc(C(=O)N3CCC(C#N)(c4ccccc4)CC3)ccc2o1 ZINC000097572115 563981711 /nfs/dbraw/zinc/98/17/11/563981711.db2.gz JOUURYURHQXACY-UHFFFAOYSA-N 0 0 344.414 4.439 50 30 EIEARN CC(C)(C)CNC=C1Nc2ccc(Br)c(Cl)c2C1=O ZINC000100523007 563982653 /nfs/dbraw/zinc/98/26/53/563982653.db2.gz PYLZMBNQRSGSAL-POHAHGRESA-N 0 0 343.652 4.188 50 30 EIEARN C[C@@H](NC=C1C(=O)CC(C)(C)CC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000100542131 563982662 /nfs/dbraw/zinc/98/26/62/563982662.db2.gz CPACDKUABSUTFZ-BUBBNXEVSA-N 0 0 329.484 4.023 50 30 EIEARN COc1ccc([C@H]2CC(=O)C=C(NCc3ccc(Cl)cc3)C2)cc1 ZINC000100606897 563982670 /nfs/dbraw/zinc/98/26/70/563982670.db2.gz GHUQUZGNRDXUAT-MRXNPFEDSA-N 0 0 341.838 4.469 50 30 EIEARN CC1(C)CC(=O)C(=CNc2ccccc2C(=O)c2ccccc2)C(=O)C1 ZINC000100580187 563982671 /nfs/dbraw/zinc/98/26/71/563982671.db2.gz JGLRKVWJGOCMGB-UHFFFAOYSA-N 0 0 347.414 4.172 50 30 EIEARN O=C1/C(=C/c2ccco2)CN(Cc2ccccc2)C/C1=C\c1ccco1 ZINC000004825928 563983335 /nfs/dbraw/zinc/98/33/35/563983335.db2.gz KCKLLWVYNLTPJX-KLCVKJMQSA-N 0 0 345.398 4.425 50 30 EIEARN CCOC(=O)c1sc(N=NC=C(C)Cc2ccccc2)nc1C ZINC000000147937 563987272 /nfs/dbraw/zinc/98/72/72/563987272.db2.gz ZJFOHLLQWKWOJF-SIBNOYASSA-N 0 0 329.425 4.129 50 30 EIEARN CC(C)c1ccc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 ZINC000100209251 563987623 /nfs/dbraw/zinc/98/76/23/563987623.db2.gz YAASJZHMOCUIBP-QGZVFWFLSA-N 0 0 346.382 4.174 50 30 EIEARN CCc1c(C)sc(NC(=O)CCc2ccc(OC)cc2)c1C#N ZINC000000253699 563989652 /nfs/dbraw/zinc/98/96/52/563989652.db2.gz OXQMGCPMBHSNMD-UHFFFAOYSA-N 0 0 328.437 4.071 50 30 EIEARN Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3C#N)o2)cc1 ZINC000005033080 563993924 /nfs/dbraw/zinc/99/39/24/563993924.db2.gz HPYZQQPDKVWDNK-UHFFFAOYSA-N 0 0 332.359 4.291 50 30 EIEARN COc1ccccc1[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000248249136 563995611 /nfs/dbraw/zinc/99/56/11/563995611.db2.gz OFGDDQKGRBRAEO-ZNMIVQPWSA-N 0 0 348.427 4.285 50 30 EIEARN CC1(C)CC(=O)C(=CC=CCC=C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000146777993 563996186 /nfs/dbraw/zinc/99/61/86/563996186.db2.gz ZEJKWWKIJVWXFZ-KQQUZDAGSA-N 0 0 342.435 4.185 50 30 EIEARN C[C@@H](CCC#N)Sc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000252485780 563997749 /nfs/dbraw/zinc/99/77/49/563997749.db2.gz HEARBJJOQWDSPA-HNNXBMFYSA-N 0 0 349.463 4.173 50 30 EIEARN N#Cc1ccccc1COC(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000005222956 564001251 /nfs/dbraw/zinc/00/12/51/564001251.db2.gz IJQDSMHNRIUXEO-UHFFFAOYSA-N 0 0 341.581 4.270 50 30 EIEARN CC(C)(C)N1C(=O)C/C(=N/O)C[C@H]1c1ccc(Cl)cc1Cl ZINC000005284017 564002412 /nfs/dbraw/zinc/00/24/12/564002412.db2.gz VPVRQNJBERSBNZ-SGPNVBEDSA-N 0 0 329.227 4.286 50 30 EIEARN CC(C)(C)c1ccc(C(=O)C=C2NCCc3cc4c(cc32)OCO4)cc1 ZINC000005428267 564003893 /nfs/dbraw/zinc/00/38/93/564003893.db2.gz BQYUYNSIHNXUBN-PDGQHHTCSA-N 0 0 349.430 4.082 50 30 EIEARN C=C(C)CSc1nc2sc3c(c2c2ncnn21)C[C@H](C)CC3 ZINC000005573392 564005765 /nfs/dbraw/zinc/00/57/65/564005765.db2.gz SLJBWEPABHEMAR-SNVBAGLBSA-N 0 0 330.482 4.132 50 30 EIEARN C=CCn1c(=O)c2ccccc2nc1SCc1nc2ccccc2o1 ZINC000008542081 564007104 /nfs/dbraw/zinc/00/71/04/564007104.db2.gz FECWRSZNEYJPAH-UHFFFAOYSA-N 0 0 349.415 4.016 50 30 EIEARN Cc1ccc(S(=O)(=O)O[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004831727 564013926 /nfs/dbraw/zinc/01/39/26/564013926.db2.gz XHCXOQXNIKQJFG-DGTBMVLOSA-N 0 0 334.481 4.305 50 30 EIEARN Cn1cc(C#N)cc1C(=O)N(c1cccc2cccnc21)C1CCCC1 ZINC000081154497 564017598 /nfs/dbraw/zinc/01/75/98/564017598.db2.gz WTKITXJNWICLAF-UHFFFAOYSA-N 0 0 344.418 4.034 50 30 EIEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1N1CCOCC1 ZINC000018122403 564018263 /nfs/dbraw/zinc/01/82/63/564018263.db2.gz SMAKDFFPSWNZHK-UHFFFAOYSA-N 0 0 341.414 4.124 50 30 EIEARN COc1ccc(/N=C/c2ccc(OC)c3cccc(O)c23)cc1OC ZINC000000499520 564018462 /nfs/dbraw/zinc/01/84/62/564018462.db2.gz RXXUTJPKKHTTDB-CIAFOILYSA-N 0 0 337.375 4.322 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1cccnc1)OCO3 ZINC000018197587 564018651 /nfs/dbraw/zinc/01/86/51/564018651.db2.gz BZUOGZTWWYENLT-LJQANCHMSA-N 0 0 348.402 4.011 50 30 EIEARN COc1ccc([C@@H]2CC(=O)C3C=Nc4ccccc4N=C3C2)c(OC)c1 ZINC000018244394 564018956 /nfs/dbraw/zinc/01/89/56/564018956.db2.gz HQFCPBBJQDMCPE-ZDUSSCGKSA-N 0 0 348.402 4.232 50 30 EIEARN COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)c(OC)c1OC ZINC000012911075 564019295 /nfs/dbraw/zinc/01/92/95/564019295.db2.gz SWWBCGMNDYKPHW-CSKARUKUSA-N 0 0 326.392 4.225 50 30 EIEARN Oc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1O ZINC000101392657 564019426 /nfs/dbraw/zinc/01/94/26/564019426.db2.gz NVGYSLAEKMCFGR-QGMBQPNBSA-N 0 0 345.811 4.321 50 30 EIEARN CN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N/c1ccccc1 ZINC000101508774 564019463 /nfs/dbraw/zinc/01/94/63/564019463.db2.gz KYIDOSWAMZZMBZ-BBNBJWFKSA-N 0 0 333.416 4.402 50 30 EIEARN C=C(C)CSc1nnc2c3c4c(sc3ncn12)C[C@H](C)CC4 ZINC000000506340 564019524 /nfs/dbraw/zinc/01/95/24/564019524.db2.gz RLQMUYIMVYBXMT-SNVBAGLBSA-N 0 0 330.482 4.132 50 30 EIEARN CC1(C)CC(=O)C(=CN[C@H](c2ccc(Cl)cc2)C2CC2)C(=O)C1 ZINC000102401198 564019985 /nfs/dbraw/zinc/01/99/85/564019985.db2.gz IMDJYJDYEYLOSS-SFHVURJKSA-N 0 0 331.843 4.223 50 30 EIEARN COc1ccccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000102913964 564020922 /nfs/dbraw/zinc/02/09/22/564020922.db2.gz ZDLVQQJITSONLA-UHFFFAOYSA-N 0 0 345.402 4.227 50 30 EIEARN COc1cc(-c2cc(-c3ccccc3)c(C#N)c(N)c2C#N)ccc1O ZINC000000521575 564021057 /nfs/dbraw/zinc/02/10/57/564021057.db2.gz JTFUEEDXOQFJKG-UHFFFAOYSA-N 0 0 341.370 4.060 50 30 EIEARN CCOc1ccc(-c2nc(C#N)c(NCCc3ccccc3)o2)cc1 ZINC000000529252 564021360 /nfs/dbraw/zinc/02/13/60/564021360.db2.gz UTSMMPAUHUCUGT-UHFFFAOYSA-N 0 0 333.391 4.267 50 30 EIEARN Cc1ccc(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)o1 ZINC000000547979 564022793 /nfs/dbraw/zinc/02/27/93/564022793.db2.gz QTOBOZCEKCIXTN-FRKPEAEDSA-N 0 0 328.224 4.215 50 30 EIEARN CN1c2cc3c(cc2S/C1=C/C(=O)c1ccc(Cl)cc1)OCO3 ZINC000103876439 564023188 /nfs/dbraw/zinc/02/31/88/564023188.db2.gz YSCYFLTZARESHP-REZTVBANSA-N 0 0 345.807 4.335 50 30 EIEARN CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000014855719 564025023 /nfs/dbraw/zinc/02/50/23/564025023.db2.gz ZNLFBRMABXXWFC-FQEVSTJZSA-N 0 0 348.446 4.000 50 30 EIEARN N#Cc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000047333855 564026092 /nfs/dbraw/zinc/02/60/92/564026092.db2.gz VWKSIFZJLFAMMP-UHFFFAOYSA-N 0 0 347.374 4.091 50 30 EIEARN N#Cc1ccc(-c2ccncc2)nc1SCc1ccc(Cl)nc1 ZINC000044892680 564027519 /nfs/dbraw/zinc/02/75/19/564027519.db2.gz ZJZNBAJSZAMNSV-UHFFFAOYSA-N 0 0 338.823 4.356 50 30 EIEARN CN(C)c1ccc(NC=CC(=O)c2ccc(Br)cc2)cc1 ZINC000044974962 564027891 /nfs/dbraw/zinc/02/78/91/564027891.db2.gz PBXCQOJXSDLPOI-VAWYXSNFSA-N 0 0 345.240 4.324 50 30 EIEARN CCOc1ccc(N(CCC#N)C(=O)c2cncc3ccccc32)cc1 ZINC000108809154 564028487 /nfs/dbraw/zinc/02/84/87/564028487.db2.gz XMIXBXGOBVFNGE-UHFFFAOYSA-N 0 0 345.402 4.194 50 30 EIEARN Cc1ccc(-c2cc(CNc3ccc(F)cc3OCC#N)on2)cc1 ZINC000150777115 564033077 /nfs/dbraw/zinc/03/30/77/564033077.db2.gz WBUZGTDGHOPZLO-UHFFFAOYSA-N 0 0 337.354 4.304 50 30 EIEARN CC(C)c1nc(OCC(=O)c2ccccc2)c(C#N)c2c1CCCC2 ZINC000012325161 564034115 /nfs/dbraw/zinc/03/41/15/564034115.db2.gz AEGFARDGWFGONL-UHFFFAOYSA-N 0 0 334.419 4.217 50 30 EIEARN CCOC(=O)COc1ccccc1C(=O)/C=C/c1ccccc1Cl ZINC000032912823 564036277 /nfs/dbraw/zinc/03/62/77/564036277.db2.gz VDXGEMIVYUBCIP-VAWYXSNFSA-N 0 0 344.794 4.178 50 30 EIEARN C=CCOc1cccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)c1 ZINC000002844889 564036456 /nfs/dbraw/zinc/03/64/56/564036456.db2.gz CPJTZWZQVNSMPT-ATVHPVEESA-N 0 0 339.778 4.249 50 30 EIEARN CNC(=S)N=NCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000012374318 564037816 /nfs/dbraw/zinc/03/78/16/564037816.db2.gz NAHCNWWJEDJWDG-XKZIYDEJSA-N 0 0 349.459 4.258 50 30 EIEARN CN(C)/C=C\C(=O)c1ncc(C(F)(F)F)cc1Oc1ccccc1 ZINC000261494945 564056192 /nfs/dbraw/zinc/05/61/92/564056192.db2.gz WAWCIATVGOPYQH-HJWRWDBZSA-N 0 0 336.313 4.151 50 30 EIEARN CCCCCOc1ccc(CN=Nc2oc(CC)nc2C#N)cc1 ZINC000015226415 564056197 /nfs/dbraw/zinc/05/61/97/564056197.db2.gz VTPCTQLNVYAQOS-DEDYPNTBSA-N 0 0 326.400 4.124 50 30 EIEARN CC(C)=NOC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000005859441 564056662 /nfs/dbraw/zinc/05/66/62/564056662.db2.gz UKXSQGSVVYOJHL-UHFFFAOYSA-N 0 0 325.393 4.153 50 30 EIEARN COc1ccc(C(=O)/C=C\c2cccc(Br)c2)c(OC)c1 ZINC000034914245 564057308 /nfs/dbraw/zinc/05/73/08/564057308.db2.gz NNKGCASISVFTMA-TWGQIWQCSA-N 0 0 347.208 4.362 50 30 EIEARN C#CCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2Cc1ccccc1 ZINC000003772582 564060243 /nfs/dbraw/zinc/06/02/43/564060243.db2.gz PRPJGSCISKJBIK-UHFFFAOYSA-N 0 0 347.414 4.187 50 30 EIEARN N#C[C@@H](C(=O)c1ccc(Sc2ccccn2)cc1)c1ccccn1 ZINC000078556510 564062082 /nfs/dbraw/zinc/06/20/82/564062082.db2.gz WJPILHWAZRENLK-MRXNPFEDSA-N 0 0 331.400 4.118 50 30 EIEARN Cc1ccc2nc(SCC(=O)OCc3ccccc3)c(C#N)cc2c1 ZINC000004125347 564063240 /nfs/dbraw/zinc/06/32/40/564063240.db2.gz CGSFYPNOGXZQJC-UHFFFAOYSA-N 0 0 348.427 4.250 50 30 EIEARN N#Cc1c(NC(=O)c2ccccc2)sc(N)c1-c1cccs1 ZINC000001427945 564066914 /nfs/dbraw/zinc/06/69/14/564066914.db2.gz YUAXZGKPUJPTGC-UHFFFAOYSA-N 0 0 325.418 4.183 50 30 EIEARN CCc1nc(SCC(=O)c2ccccc2)c(C#N)c2c1CCCC2 ZINC000001471215 564073600 /nfs/dbraw/zinc/07/36/00/564073600.db2.gz RTCURSGXXHLHNX-UHFFFAOYSA-N 0 0 336.460 4.369 50 30 EIEARN C=CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2[O-])SC1=S ZINC000001203504 564074680 /nfs/dbraw/zinc/07/46/80/564074680.db2.gz WYTHGJWEHGQBLR-YHYXMXQVSA-N 0 0 346.260 4.086 50 30 EIEARN C=CCn1c2ccc(NC(=O)c3ccc(CC)cc3)cc2sc1=O ZINC000015865108 564077185 /nfs/dbraw/zinc/07/71/85/564077185.db2.gz XSRFRFXYKORTRL-UHFFFAOYSA-N 0 0 338.432 4.064 50 30 EIEARN N#Cc1cn2c3ccccc3nc2nc1-c1ccc(Br)cc1 ZINC000075284396 564081518 /nfs/dbraw/zinc/08/15/18/564081518.db2.gz WEBILCBKMLTBJS-UHFFFAOYSA-N 0 0 349.191 4.184 50 30 EIEARN Cc1cccc(/N=C2/c3ccccc3N(CN3CCC(C)CC3)C2=O)c1 ZINC000016348993 564082226 /nfs/dbraw/zinc/08/22/26/564082226.db2.gz PWQGWPLIUWJYLZ-LNVKXUELSA-N 0 0 347.462 4.152 50 30 EIEARN C#C[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000000001833 564082360 /nfs/dbraw/zinc/08/23/60/564082360.db2.gz IMONTRJLAWHYGT-REGVOWLASA-N 0 0 340.463 4.063 50 30 EIEARN CCCOc1ccccc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000035671657 564086085 /nfs/dbraw/zinc/08/60/85/564086085.db2.gz MSCUFMPUXKMXMR-PXLXIMEGSA-N 0 0 349.434 4.024 50 30 EIEARN N#CCSc1ccccc1NC(=O)CNc1cccc(Cl)c1 ZINC000013003034 564086343 /nfs/dbraw/zinc/08/63/43/564086343.db2.gz WNTMFOVNVJMKLL-UHFFFAOYSA-N 0 0 331.828 4.006 50 30 EIEARN CCc1ccc2ncc(C#N)c(Nc3ccc(C(=O)OC)cc3)c2c1 ZINC000064438743 564091279 /nfs/dbraw/zinc/09/12/79/564091279.db2.gz PWYANVYAWQSPDG-UHFFFAOYSA-N 0 0 331.375 4.199 50 30 EIEARN Cc1c(C(=O)c2cccc([N+](=O)[O-])c2C)c2ccccn2c1CCC#N ZINC000006550070 564091903 /nfs/dbraw/zinc/09/19/03/564091903.db2.gz CDUMMOUMDHWIBZ-UHFFFAOYSA-N 0 0 347.374 4.152 50 30 EIEARN CC1CCC(Nc2c(-c3cccs3)nc3c(C#N)c[nH]n32)CC1 ZINC000006768550 564097421 /nfs/dbraw/zinc/09/74/21/564097421.db2.gz RWYLRENFPKKNRY-UHFFFAOYSA-N 0 0 325.441 4.253 50 30 EIEARN CC(C)Oc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCC2)cc1 ZINC000006768567 564097432 /nfs/dbraw/zinc/09/74/32/564097432.db2.gz HEMWZHGQSPRWEH-UHFFFAOYSA-N 0 0 349.438 4.343 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2)C[C@@H]1c1ccc(C)cc1 ZINC000006892027 564100837 /nfs/dbraw/zinc/10/08/37/564100837.db2.gz MEQUMZWBOYZVSD-CTNGQTDRSA-N 0 0 334.415 4.314 50 30 EIEARN Cc1ccc2c(ncc(C(=O)OC(C)C)c2Nc2ccc(C#N)cc2)n1 ZINC000065114233 564101221 /nfs/dbraw/zinc/10/12/21/564101221.db2.gz RNRZZVMFGLZOKU-UHFFFAOYSA-N 0 0 346.390 4.119 50 30 EIEARN COc1cccc(/C=C/c2nc(C#N)c(N3C[C@H](C)C[C@@H](C)C3)o2)c1 ZINC000016768414 564113143 /nfs/dbraw/zinc/11/31/43/564113143.db2.gz YJGHWANUASRDEH-FHFZEBMASA-N 0 0 337.423 4.208 50 30 EIEARN C[C@@H](CC#N)N(C)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000089894458 564114894 /nfs/dbraw/zinc/11/48/94/564114894.db2.gz LVSQBCRQNCRUFK-AWEZNQCLSA-N 0 0 348.406 4.184 50 30 EIEARN C[C@@H](C#N)CSc1ccccc1NC(=O)C(F)(F)c1ccccn1 ZINC000089904129 564115028 /nfs/dbraw/zinc/11/50/28/564115028.db2.gz LLGIRBCACFUVPG-LBPRGKRZSA-N 0 0 347.390 4.064 50 30 EIEARN Fc1ccc(C2N=NC(=S)N2N=Cc2cccc3ccccc23)cc1 ZINC000006140458 564116897 /nfs/dbraw/zinc/11/68/97/564116897.db2.gz JLKQCHMLOOVUOF-CIAFOILYSA-N 0 0 348.406 4.408 50 30 EIEARN C=CCc1ccc(OCCOc2ccc(C)cc2C=O)c(OC)c1 ZINC000002875801 564117102 /nfs/dbraw/zinc/11/71/02/564117102.db2.gz GDZUMDMYSYZTKI-UHFFFAOYSA-N 0 0 326.392 4.002 50 30 EIEARN Cc1sc(N=NCc2ccccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000252463168 564118788 /nfs/dbraw/zinc/11/87/88/564118788.db2.gz ZJBVFYROEBQRDZ-UHFFFAOYSA-N 0 0 338.392 4.473 50 30 EIEARN Cc1nc(-c2ccc(Br)cc2)nn1CCCC(C)(C)C#N ZINC000170650902 564120362 /nfs/dbraw/zinc/12/03/62/564120362.db2.gz BXLIDNVRLWESMD-UHFFFAOYSA-N 0 0 347.260 4.346 50 30 EIEARN Cc1ccc(C)c(N=C2S/C(=C\c3ccccc3O)C(=O)N2C)c1 ZINC000252597580 564121130 /nfs/dbraw/zinc/12/11/30/564121130.db2.gz CTHLEBXZTWEAGM-JWZKOSBISA-N 0 0 338.432 4.243 50 30 EIEARN CCc1ccc(N=C2S/C(=C/c3ccccc3O)C(=O)N2C)cc1 ZINC000252614626 564122018 /nfs/dbraw/zinc/12/20/18/564122018.db2.gz JLCJEWDTOIJVNF-NETLLJLASA-N 0 0 338.432 4.188 50 30 EIEARN CCN1C(=O)/C(=C/c2cccs2)SC1=Nc1ccc(OC)cc1 ZINC000252617107 564122130 /nfs/dbraw/zinc/12/21/30/564122130.db2.gz KMLRFNVZFZBKEU-QMGYSKEOSA-N 0 0 344.461 4.381 50 30 EIEARN c1ccc2c(c1)CCCC2=NOCON=C1CCCc2ccccc21 ZINC000252620851 564122835 /nfs/dbraw/zinc/12/28/35/564122835.db2.gz MNLLNPWQXZXYKH-UHFFFAOYSA-N 0 0 334.419 4.458 50 30 EIEARN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Nc1ccc(-c2ccccc2)cc1 ZINC000007778432 564123033 /nfs/dbraw/zinc/12/30/33/564123033.db2.gz XZJVJNVNJMYALZ-IERDGZPVSA-N 0 0 335.451 4.208 50 30 EIEARN CCOc1ccc(/N=C2\NN=C(c3cc(F)ccc3F)CS2)cc1 ZINC000007849661 564124244 /nfs/dbraw/zinc/12/42/44/564124244.db2.gz IHKCFIPNFOLGNB-UHFFFAOYSA-N 0 0 347.390 4.092 50 30 EIEARN Cn1cc(/C=C2/SC(=Nc3ccccc3)N(C)C2=O)c2ccccc21 ZINC000252644112 564124721 /nfs/dbraw/zinc/12/47/21/564124721.db2.gz ZZHBMQVGDSZTNP-JEESXGFFSA-N 0 0 347.443 4.412 50 30 EIEARN Cc1cc(-c2ccccc2)nc(N=NCc2cc(Cl)ccc2O)n1 ZINC000252642525 564124726 /nfs/dbraw/zinc/12/47/26/564124726.db2.gz ZMXUDXBPYHFUPN-UHFFFAOYSA-N 0 0 338.798 4.257 50 30 EIEARN CC(C)[C@H]1c2ccc3ccccc3c2Oc2nc(N)c(C#N)c(N)c21 ZINC000253470851 564132598 /nfs/dbraw/zinc/13/25/98/564132598.db2.gz HBUWGKDMAUXFSI-HNNXBMFYSA-N 0 0 330.391 4.164 50 30 EIEARN N#Cc1cc2c(nc1SCc1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000000124454 564132869 /nfs/dbraw/zinc/13/28/69/564132869.db2.gz DJTIJQDOLVAHIW-UHFFFAOYSA-N 0 0 325.393 4.033 50 30 EIEARN N#Cc1cc(Br)c(Br)cc1C(F)(F)F ZINC000064034003 564133937 /nfs/dbraw/zinc/13/39/37/564133937.db2.gz COCONGCGJVRAOO-UHFFFAOYSA-N 0 0 328.913 4.102 50 30 EIEARN N#Cc1ccccc1-c1c(-c2ccccc2)ncn1CCc1c[nH]cn1 ZINC000065365955 564134325 /nfs/dbraw/zinc/13/43/25/564134325.db2.gz USVKKDXPAYKIOE-UHFFFAOYSA-N 0 0 339.402 4.055 50 30 EIEARN COc1ccccc1Oc1ncccc1CNc1nc(C)ccc1C#N ZINC000067587302 564134865 /nfs/dbraw/zinc/13/48/65/564134865.db2.gz RPTOYWXRALGGRS-UHFFFAOYSA-N 0 0 346.390 4.070 50 30 EIEARN Cc1sc(NC(=O)c2cccnc2)c(C#N)c1-c1ccc(F)cc1 ZINC000013328086 564136216 /nfs/dbraw/zinc/13/62/16/564136216.db2.gz LEUBJPIXEWFAHU-UHFFFAOYSA-N 0 0 337.379 4.382 50 30 EIEARN C[C@@H](C(=O)Nc1n[nH]c(-c2cccc3ccccc32)n1)c1cccnc1 ZINC000078967777 564137472 /nfs/dbraw/zinc/13/74/72/564137472.db2.gz JUEZQBJEECHTCG-CYBMUJFWSA-N 0 0 343.390 4.412 50 30 EIEARN N#C[C@H](C(=O)c1cncc(-c2ccccc2)c1)c1nc2ccccc2[nH]1 ZINC000124419257 564138069 /nfs/dbraw/zinc/13/80/69/564138069.db2.gz GBUNPHYTWOELKF-QGZVFWFLSA-N 0 0 338.370 4.115 50 30 EIEARN C=CC[C@H](CC)NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000390835551 564139045 /nfs/dbraw/zinc/13/90/45/564139045.db2.gz QMUHGLWEPLFFIL-AWEZNQCLSA-N 0 0 327.384 4.008 50 30 EIEARN C[C@@H]1C[C@@]2(C)[C@H](CC[C@H]3[C@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]32)CC1=NN ZINC000254482745 564141750 /nfs/dbraw/zinc/14/17/50/564141750.db2.gz BQTJGNTXJNEPFQ-USZBJCLWSA-N 0 0 332.532 4.341 50 30 EIEARN CC1(C)Cc2c(C#N)c(N3CCCCC3)nc(-c3ccco3)c2CO1 ZINC000020791624 564141796 /nfs/dbraw/zinc/14/17/96/564141796.db2.gz QUFHNVMBFIKQEQ-UHFFFAOYSA-N 0 0 337.423 4.055 50 30 EIEARN N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1NCCOc1ccccc1 ZINC000096346335 564146842 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ZINC000057523295 564154730 /nfs/dbraw/zinc/15/47/30/564154730.db2.gz ZMHHVDKGYJBXLO-CYBMUJFWSA-N 0 0 348.324 4.035 50 30 EIEARN N#Cc1cc([N+](=O)[O-])ccc1Oc1ccccc1OCC(F)(F)F ZINC000057839643 564156043 /nfs/dbraw/zinc/15/60/43/564156043.db2.gz OXNJYQOXILPVSX-UHFFFAOYSA-N 0 0 338.241 4.200 50 30 EIEARN C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl ZINC000003337672 564157446 /nfs/dbraw/zinc/15/74/46/564157446.db2.gz ZGBVZRTZAQJEDY-LLVKDONJSA-N 0 0 349.217 4.121 50 30 EIEARN CCN(C(=O)COc1ccccc1C#N)c1cccc2ccccc21 ZINC000003344160 564157511 /nfs/dbraw/zinc/15/75/11/564157511.db2.gz PFWNNODKFBBLON-UHFFFAOYSA-N 0 0 330.387 4.143 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccccc1 ZINC000004119633 564160706 /nfs/dbraw/zinc/16/07/06/564160706.db2.gz MFZHTTMGYRNZIK-MAUKXSAKSA-N 0 0 326.417 4.067 50 30 EIEARN N#C[C@@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1ccccn1 ZINC000067601486 564166179 /nfs/dbraw/zinc/16/61/79/564166179.db2.gz LJBZLAFZJLRPFY-CQSZACIVSA-N 0 0 330.309 4.008 50 30 EIEARN Cc1ccc([C@H]2C[C@H]2C(=O)Nc2nc(C)c(SCC#N)s2)s1 ZINC000069418889 564169347 /nfs/dbraw/zinc/16/93/47/564169347.db2.gz FYZNPQCCXZVKMK-WDEREUQCSA-N 0 0 349.506 4.179 50 30 EIEARN COc1ccc(CCCC(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 ZINC000069776096 564172115 /nfs/dbraw/zinc/17/21/15/564172115.db2.gz YXWJZYVZDPWASA-INIZCTEOSA-N 0 0 334.375 4.036 50 30 EIEARN C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(F)cc1 ZINC000069892667 564172659 /nfs/dbraw/zinc/17/26/59/564172659.db2.gz HTUKOVQQUWQJGN-ZDUSSCGKSA-N 0 0 343.427 4.128 50 30 EIEARN CCCCc1ccc(/N=C2\NC(=O)[C@H](Cc3ccccc3)S2)cc1 ZINC000009348754 564172870 /nfs/dbraw/zinc/17/28/70/564172870.db2.gz RFZPBJHOGAKHOC-SFHVURJKSA-N 0 0 338.476 4.491 50 30 EIEARN Cc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1F ZINC000041557878 564174077 /nfs/dbraw/zinc/17/40/77/564174077.db2.gz XBJFGALKPRPLQF-GFCCVEGCSA-N 0 0 343.308 4.369 50 30 EIEARN N#Cc1c(NC(=O)c2ccncc2F)sc2c1-c1ccccc1CC2 ZINC000078087051 564176909 /nfs/dbraw/zinc/17/69/09/564176909.db2.gz 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C#CCCCCCC(=O)N(Cc1ccccc1)c1ccc(C#N)cn1 ZINC000585125189 1049588992 /nfs/dbraw/zinc/58/89/92/1049588992.db2.gz JUUBAYSZSGWCBB-UHFFFAOYSA-N 0 0 331.419 4.070 50 30 EIEARN C#CCCC1(CCC(=O)N2CC3(CCCC3)c3c2cccc3F)N=N1 ZINC000952880078 1049678681 /nfs/dbraw/zinc/67/86/81/1049678681.db2.gz IZEWDDZOPDDDGQ-UHFFFAOYSA-N 0 0 339.414 4.340 50 30 EIEARN C#CCCC1(CCC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)N=N1 ZINC000952881050 1049682216 /nfs/dbraw/zinc/68/22/16/1049682216.db2.gz KMOQAPXAHDLUNR-QRVBRYPASA-N 0 0 335.451 4.137 50 30 EIEARN COc1ccc(-n2cnc3cc(N=Cc4ccccc4O)ccc32)cc1 ZINC000263626669 1050220831 /nfs/dbraw/zinc/22/08/31/1050220831.db2.gz ZCEVNBDJZIXNQY-UHFFFAOYSA-N 0 0 343.386 4.490 50 30 EIEARN N#Cc1nc(COc2ccccc2)oc1NCc1ccccc1Cl ZINC000000351821 1055996960 /nfs/dbraw/zinc/99/69/60/1055996960.db2.gz VVPXMYIRAHBEOE-UHFFFAOYSA-N 0 0 339.782 4.391 50 30 EIEARN Cc1cccc(CN(C(=O)c2ccc(C#CC(C)(C)O)cc2)C(C)C)c1 ZINC000055271242 214299091 /nfs/dbraw/zinc/29/90/91/214299091.db2.gz 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CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000019772286 202019104 /nfs/dbraw/zinc/01/91/04/202019104.db2.gz DIAOOWNEGNTNMG-VOJFVSQTSA-N 0 0 345.464 4.058 50 30 EIEARN C=CCn1c(=O)cc(C(F)(F)F)nc1SCc1ccc(C)cc1 ZINC000001403055 209741460 /nfs/dbraw/zinc/74/14/60/209741460.db2.gz JXJJFJCZRNGOQV-UHFFFAOYSA-N 0 0 340.370 4.049 50 30 EIEARN Clc1ccc(CN2CCN(/N=C/c3cccc(Cl)c3)CC2)cc1 ZINC000019833915 202021802 /nfs/dbraw/zinc/02/18/02/202021802.db2.gz RUEXXMNYZXDMRT-FYJGNVAPSA-N 0 0 348.277 4.145 50 30 EIEARN Cc1ccc(-c2cc(-c3ccc4c(c3)OCO4)c(C#N)c(N)n2)cc1C ZINC000019832543 202022384 /nfs/dbraw/zinc/02/23/84/202022384.db2.gz XEUZSOXUQXKOOH-UHFFFAOYSA-N 0 0 343.386 4.215 50 30 EIEARN Cc1ccc(CN2CCN(/N=C/C=C/c3ccccc3)CC2)c(C)c1 ZINC000019800699 202022895 /nfs/dbraw/zinc/02/28/95/202022895.db2.gz QGVJEJVKSHEMCS-HJEIRYQDSA-N 0 0 333.479 4.120 50 30 EIEARN C/C(=N/N1CCN(Cc2ccc(C)cc2)CC1)c1ccc(Cl)cc1 ZINC000019901668 202024973 /nfs/dbraw/zinc/02/49/73/202024973.db2.gz 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202086670 /nfs/dbraw/zinc/08/66/70/202086670.db2.gz YCADDZMYGHHPSB-UHFFFAOYSA-N 0 0 343.427 4.179 50 30 EIEARN COc1ccc(/C=C2\CCc3[nH]c4ccc(F)cc4c3C2=O)cc1O ZINC000026433471 202144049 /nfs/dbraw/zinc/14/40/49/202144049.db2.gz YSSWLKFETWPNAZ-XYOKQWHBSA-N 0 0 337.350 4.234 50 30 EIEARN COc1cccc(SCc2c(C#N)c(C)nn2-c2ccccc2)c1 ZINC000027662154 202159271 /nfs/dbraw/zinc/15/92/71/202159271.db2.gz ZUACYYJJTUBLHG-UHFFFAOYSA-N 0 0 335.432 4.353 50 30 EIEARN O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc2ccccc2c1 ZINC000028495544 202171927 /nfs/dbraw/zinc/17/19/27/202171927.db2.gz ZATGGVWRZIUSMI-BQYQJAHWSA-N 0 0 347.326 4.373 50 30 EIEARN COc1ccc(CN(C(=O)c2cccc(C#N)c2)[C@H](C)C2CC2)cc1 ZINC000032753989 202232020 /nfs/dbraw/zinc/23/20/20/202232020.db2.gz HMDYGIYGTKCNRL-OAHLLOKOSA-N 0 0 334.419 4.008 50 30 EIEARN CCNc1oc(-c2ccc(COc3ccc(C)c(C)c3)o2)nc1C#N ZINC000033026978 202247023 /nfs/dbraw/zinc/24/70/23/202247023.db2.gz GFSDQXSUWACZNJ-UHFFFAOYSA-N 0 0 337.379 4.434 50 30 EIEARN Cc1ccc(-c2ccc(C#N)c(SCC(=O)OCC(C)C)n2)cc1 ZINC000033011154 202247125 /nfs/dbraw/zinc/24/71/25/202247125.db2.gz XTRHTDRJYWAXLA-UHFFFAOYSA-N 0 0 340.448 4.220 50 30 EIEARN CC(C)OC(=O)CSc1nc(-c2ccc(Cl)cc2)ccc1C#N ZINC000033011161 202247404 /nfs/dbraw/zinc/24/74/04/202247404.db2.gz MXSYHXXFTDARPL-UHFFFAOYSA-N 0 0 346.839 4.317 50 30 EIEARN CC(=CN=Nc1nnc2c3cccc(C)c3[nH]c2n1)Cc1ccccc1 ZINC000033154923 202251469 /nfs/dbraw/zinc/25/14/69/202251469.db2.gz ODXMZFBZURHPMP-ASOCYRNWSA-N 0 0 342.406 4.316 50 30 EIEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccco1 ZINC000033409453 202261129 /nfs/dbraw/zinc/26/11/29/202261129.db2.gz FUULHFSDQJHOJM-KHPPLWFESA-N 0 0 341.370 4.423 50 30 EIEARN C=CCOc1ccc(C(=O)Nc2ccc(OCC)c3ncccc23)cc1 ZINC000032593289 212813606 /nfs/dbraw/zinc/81/36/06/212813606.db2.gz LPOFSLOHELUKOK-UHFFFAOYSA-N 0 0 348.402 4.451 50 30 EIEARN CN(C)c1ccc(C(=O)/C=C\c2ccc(Br)cc2)cc1 ZINC000033571404 202266733 /nfs/dbraw/zinc/26/67/33/202266733.db2.gz QUABCQYORDWCJX-XGICHPGQSA-N 0 0 330.225 4.411 50 30 EIEARN Cc1ccc(CNC(=O)[C@H](C)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000034894783 202279733 /nfs/dbraw/zinc/27/97/33/202279733.db2.gz DQGCEQNDUWHVMR-ZFWWWQNUSA-N 0 0 328.378 4.114 50 30 EIEARN C#CC(CC)(CC)NC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000000137004 209443262 /nfs/dbraw/zinc/44/32/62/209443262.db2.gz QNGDBEAODNEUPU-UHFFFAOYSA-N 0 0 330.815 4.225 50 30 EIEARN C#CC(C)(C)NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000000079211 209406089 /nfs/dbraw/zinc/40/60/89/209406089.db2.gz XXOYYQGGYHFQLX-UHFFFAOYSA-N 0 0 337.206 4.098 50 30 EIEARN CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O ZINC000005143148 201362219 /nfs/dbraw/zinc/36/22/19/201362219.db2.gz NBQHFXMGKJVJOT-SXGWCWSVSA-N 0 0 343.766 4.017 50 30 EIEARN N#CCOc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 ZINC000002400141 201359491 /nfs/dbraw/zinc/35/94/91/201359491.db2.gz VNXFNYITOOZNRY-UHFFFAOYSA-N 0 0 345.276 4.381 50 30 EIEARN Cc1c2c(ccc1OCC#N)C(=O)/C(=C/c1cn(C)c3ccccc13)O2 ZINC000028182770 201387978 /nfs/dbraw/zinc/38/79/78/201387978.db2.gz WBORTTVCQKMBLW-ODLFYWEKSA-N 0 0 344.370 4.005 50 30 EIEARN Cc1ccccc1[C@H](Sc1ncc(C#N)c(N)n1)c1ccccc1 ZINC000023106292 212347702 /nfs/dbraw/zinc/34/77/02/212347702.db2.gz VAYCZCHOKJWVDM-QGZVFWFLSA-N 0 0 332.432 4.121 50 30 EIEARN N#CCOc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000023150661 212355982 /nfs/dbraw/zinc/35/59/82/212355982.db2.gz XCBQYLYKMVMESN-UHFFFAOYSA-N 0 0 335.190 4.077 50 30 EIEARN N#Cc1c(F)cccc1NCCc1ccc(Br)s1 ZINC000022136088 212279559 /nfs/dbraw/zinc/27/95/59/212279559.db2.gz IYOXWFQDIVJQAO-UHFFFAOYSA-N 0 0 325.206 4.176 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1cccc(F)c1 ZINC000000428065 201471917 /nfs/dbraw/zinc/47/19/17/201471917.db2.gz MXKZHQRWDHTQIW-CRAIPNDOSA-N 0 0 344.407 4.207 50 30 EIEARN CC(C)=C1Oc2c(ccc3c2[C@H](c2ccsc2)CC(=O)O3)C1=O ZINC000218268978 241310180 /nfs/dbraw/zinc/31/01/80/241310180.db2.gz WYJKRUUEKRINFL-LBPRGKRZSA-N 0 0 326.373 4.058 50 30 EIEARN CCn1cc(/C=C2/Oc3cc(OCC#N)ccc3C2=O)c2ccccc21 ZINC000009422385 201494953 /nfs/dbraw/zinc/49/49/53/201494953.db2.gz HIVSSAUWSYPIMU-RGVLZGJSSA-N 0 0 344.370 4.180 50 30 EIEARN CCC(=O)N(/C=C1\Sc2ccccc2C1=O)c1ccccc1F ZINC000000484983 201478897 /nfs/dbraw/zinc/47/88/97/201478897.db2.gz JBPBHDQTJUFLRI-WJDWOHSUSA-N 0 0 327.380 4.399 50 30 EIEARN COc1ccccc1[C@H](C#N)N1CCC(c2ccc(Cl)cc2)=N1 ZINC000001443653 201509044 /nfs/dbraw/zinc/50/90/44/201509044.db2.gz UVZWNWMOHCTNTA-KRWDZBQOSA-N 0 0 325.799 4.023 50 30 EIEARN C[C@@H](NC(=O)c1scnc1C1CCCC1)c1ccc(C#N)cc1 ZINC000225584466 241937501 /nfs/dbraw/zinc/93/75/01/241937501.db2.gz SBPLANMHIPIONY-GFCCVEGCSA-N 0 0 325.437 4.163 50 30 EIEARN Cc1c(C(C)C)c(=O)c2ccccc2n1Cc1ccc(F)cc1C#N ZINC000225825067 242052293 /nfs/dbraw/zinc/05/22/93/242052293.db2.gz IPMMYYSYIFWMJF-UHFFFAOYSA-N 0 0 334.394 4.492 50 30 EIEARN O=[S@@]1ON(c2ccccc2)[C@H](c2ccccc2)N1c1ccccc1 ZINC000230141837 242237118 /nfs/dbraw/zinc/23/71/18/242237118.db2.gz XCPJXMDAPAUDOS-YADARESESA-N 0 0 336.416 4.222 50 30 EIEARN COc1ccc(CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000002752660 201543106 /nfs/dbraw/zinc/54/31/06/201543106.db2.gz PZXFGPXLLSGRSI-UHFFFAOYSA-N 0 0 340.448 4.078 50 30 EIEARN N#CCSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000002626041 201537473 /nfs/dbraw/zinc/53/74/73/201537473.db2.gz QHOVZEQSXANBGM-UHFFFAOYSA-N 0 0 326.812 4.203 50 30 EIEARN COc1cc(/C=C2\COc3ccccc3C2=O)cc(Cl)c1OC ZINC000003547052 201576990 /nfs/dbraw/zinc/57/69/90/201576990.db2.gz ZIQPVTFBXRCBPH-KPKJPENVSA-N 0 0 330.767 4.016 50 30 EIEARN CC[C@H](C)n1cc(/C=C2\S/C(=N/C)N(C)C2=O)c2ccccc21 ZINC000004739999 201615025 /nfs/dbraw/zinc/61/50/25/201615025.db2.gz RANOBYLUHPFMEU-AFLASCABSA-N 0 0 327.453 4.144 50 30 EIEARN CC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004858148 201623956 /nfs/dbraw/zinc/62/39/56/201623956.db2.gz IXLPSBNCHRTJBI-IXDOJHRFSA-N 0 0 349.390 4.239 50 30 EIEARN Cc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 ZINC000004914608 201626595 /nfs/dbraw/zinc/62/65/95/201626595.db2.gz OWBBIUUXEPUDLS-WMZOPIPTSA-N 0 0 349.405 4.138 50 30 EIEARN CC[C@@H](C)Oc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004916437 201627138 /nfs/dbraw/zinc/62/71/38/201627138.db2.gz QNUNGVJWXXIRMO-CJNGLKHVSA-N 0 0 341.451 4.111 50 30 EIEARN CC(=CN=Nc1nnc2c3cccc(C)c3[nH]c2n1)Cc1ccccc1 ZINC000005730769 201661379 /nfs/dbraw/zinc/66/13/79/201661379.db2.gz ODXMZFBZURHPMP-QLCGXXCYSA-N 0 0 342.406 4.316 50 30 EIEARN CC[C@@H]1CCc2sc(-c3nnc(S[C@@H](C)C#N)n3C)cc2C1 ZINC000005776365 201662347 /nfs/dbraw/zinc/66/23/47/201662347.db2.gz QDOIBKNWULSQLE-WDEREUQCSA-N 0 0 332.498 4.063 50 30 EIEARN C=CCOc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 ZINC000020897318 212183718 /nfs/dbraw/zinc/18/37/18/212183718.db2.gz HBTSYUTTYTWHHW-GFCCVEGCSA-N 0 0 328.437 4.085 50 30 EIEARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000006582753 201687206 /nfs/dbraw/zinc/68/72/06/201687206.db2.gz OSQTWMZEAMWPED-UHFFFAOYSA-N 0 0 337.766 4.427 50 30 EIEARN N#Cc1c(N)nc(-c2ccco2)cc1-c1ccc([C@H]2CCCO2)s1 ZINC000067742542 202931220 /nfs/dbraw/zinc/93/12/20/202931220.db2.gz URNNDQPVDODSQK-OAHLLOKOSA-N 0 0 337.404 4.375 50 30 EIEARN N#CCOc1ccc(NC(=O)N[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000069571026 203021525 /nfs/dbraw/zinc/02/15/25/203021525.db2.gz MVAMASJTDGSCQY-HNNXBMFYSA-N 0 0 349.312 4.014 50 30 EIEARN N#Cc1ccc(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)cc1 ZINC000069843990 203055027 /nfs/dbraw/zinc/05/50/27/203055027.db2.gz TYBFMXBEBIJLFU-HNNXBMFYSA-N 0 0 345.402 4.105 50 30 EIEARN N#Cc1c(N)nc(-c2ccc[nH]2)cc1-c1ccc([C@@H]2CCCCO2)o1 ZINC000071752389 203107920 /nfs/dbraw/zinc/10/79/20/203107920.db2.gz RREUXCZAOHBSQX-KRWDZBQOSA-N 0 0 334.379 4.032 50 30 EIEARN N#Cc1c(N)nc(-c2cc[nH]c2)cc1-c1ccc(O)c2ccccc21 ZINC000071761128 203109489 /nfs/dbraw/zinc/10/94/89/203109489.db2.gz CVOOGYQQSCIYTN-UHFFFAOYSA-N 0 0 326.359 4.056 50 30 EIEARN CSc1ccc(Cl)c(C(=O)Nc2ccc(C#N)c(C#N)c2)c1 ZINC000072292744 203194410 /nfs/dbraw/zinc/19/44/10/203194410.db2.gz IETIAVGUQKSKAJ-UHFFFAOYSA-N 0 0 327.796 4.058 50 30 EIEARN O=C1NC(=Nc2cc(F)c(F)c(F)c2)C(=Cc2cccnc2)S1 ZINC000072401145 203215127 /nfs/dbraw/zinc/21/51/27/203215127.db2.gz YFBPPNZJDLJKFB-QCDXTXTGSA-N 0 0 335.310 4.231 50 30 EIEARN C=CCn1c2ccccc2n(CCOc2ccc(C(C)(C)C)cc2)c1=N ZINC000020129776 212104639 /nfs/dbraw/zinc/10/46/39/212104639.db2.gz DGZQKHYMTVLSKW-UHFFFAOYSA-N 0 0 349.478 4.485 50 30 EIEARN N#CCCN(Cc1ccccn1)C(=O)Nc1cccc2ccccc21 ZINC000075105196 203301416 /nfs/dbraw/zinc/30/14/16/203301416.db2.gz LJWXAOZKEIOIGN-UHFFFAOYSA-N 0 0 330.391 4.183 50 30 EIEARN Cc1ncsc1C(=O)Nc1sc(-c2ccccc2)cc1C#N ZINC000077687655 203398103 /nfs/dbraw/zinc/39/81/03/203398103.db2.gz KOMNTVSELBIUQW-UHFFFAOYSA-N 0 0 325.418 4.304 50 30 EIEARN CCCCCCCNc1c2ccccc2[nH]c(=O)c1C(=O)OCC ZINC000097949634 203974635 /nfs/dbraw/zinc/97/46/35/203974635.db2.gz OTAYUHUDADJDMB-UHFFFAOYSA-N 0 0 330.428 4.087 50 30 EIEARN CC(NCc1ccc(Cl)c(Cl)c1)=C1C(=O)c2ccccc2C1=O ZINC000100589406 203995191 /nfs/dbraw/zinc/99/51/91/203995191.db2.gz TZYSBERFXALHLW-UHFFFAOYSA-N 0 0 346.213 4.436 50 30 EIEARN O=C1c2ccccc2C(=O)C(NCCc2ccc(Cl)cc2)=C1Cl ZINC000100933610 204000117 /nfs/dbraw/zinc/00/01/17/204000117.db2.gz WYBKLJQJZOUJMC-UHFFFAOYSA-N 0 0 346.213 4.002 50 30 EIEARN Cc1ccc(C(=O)Cc2nc3cc(Cl)ccc3oc2=O)c(C)c1 ZINC000101356169 204005482 /nfs/dbraw/zinc/00/54/82/204005482.db2.gz NQFBSEFHVKLEKA-OQLLNIDSSA-N 0 0 327.767 4.055 50 30 EIEARN CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(C)C1=O ZINC000101509237 204008918 /nfs/dbraw/zinc/00/89/18/204008918.db2.gz BVFFZLFHPGHFSM-YWKYIXQJSA-N 0 0 338.432 4.319 50 30 EIEARN COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C#N)cc2)cc1 ZINC000102603074 204043176 /nfs/dbraw/zinc/04/31/76/204043176.db2.gz HAFZJRNCOMKDSB-ACDBMABISA-N 0 0 346.430 4.118 50 30 EIEARN C=CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1 ZINC000044085666 204295529 /nfs/dbraw/zinc/29/55/29/204295529.db2.gz YLRJNENGUKUDCO-UHFFFAOYSA-N 0 0 349.459 4.467 50 30 EIEARN Cc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)c2ccccc2)c1 ZINC000000250231 205427155 /nfs/dbraw/zinc/42/71/55/205427155.db2.gz BXOYMQPGGJWKFR-UHFFFAOYSA-N 0 0 340.382 4.350 50 30 EIEARN C[C@H]1CCc2c(C#N)c(NC(=O)CCOc3ccccc3)sc2C1 ZINC000004076626 205678289 /nfs/dbraw/zinc/67/82/89/205678289.db2.gz NNAXAHCJSXPKKG-ZDUSSCGKSA-N 0 0 340.448 4.152 50 30 EIEARN N#Cc1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCCC2 ZINC000005268348 205763784 /nfs/dbraw/zinc/76/37/84/205763784.db2.gz LMBYUBMGHAQCJO-UHFFFAOYSA-N 0 0 328.412 4.209 50 30 EIEARN Cc1cc(=O)oc2c3c(ccc12)O/C(=C/c1ccccc1Cl)C3=O ZINC000005749489 205776178 /nfs/dbraw/zinc/77/61/78/205776178.db2.gz WSWXUJFPVLXBEQ-OQLLNIDSSA-N 0 0 338.746 4.371 50 30 biogenic EIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cccnc3Cl)sc2C1 ZINC000000572102 206244742 /nfs/dbraw/zinc/24/47/42/206244742.db2.gz GLDRZDLJDNPWTR-SECBINFHSA-N 0 0 331.828 4.045 50 30 EIEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(F)c3F)sc2C1 ZINC000000484157 206237582 /nfs/dbraw/zinc/23/75/82/206237582.db2.gz QGSNKRHSQSWXEB-VIFPVBQESA-N 0 0 332.375 4.275 50 30 EIEARN Oc1ccc(/C=N/c2nc3ccc(Br)cc3s2)c(O)c1 ZINC000100828383 206258446 /nfs/dbraw/zinc/25/84/46/206258446.db2.gz SHPOBVYOJURXNK-FRKPEAEDSA-N 0 0 349.209 4.221 50 30 EIEARN COc1ccc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)c(C)c1 ZINC000170597553 206581898 /nfs/dbraw/zinc/58/18/98/206581898.db2.gz JIVVVSCIUNCJCS-UHFFFAOYSA-N 0 0 328.456 4.232 50 30 EIEARN C=C(C)COc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000009698552 211116921 /nfs/dbraw/zinc/11/69/21/211116921.db2.gz IKQZDYPIDOZOAG-UHFFFAOYSA-N 0 0 346.770 4.455 50 30 EIEARN C=CCSc1ncc(Cl)c(C(=O)Nc2ccc(C)c(C)c2)n1 ZINC000008916142 211018229 /nfs/dbraw/zinc/01/82/29/211018229.db2.gz RFNHFNZFYNMDTG-UHFFFAOYSA-N 0 0 333.844 4.277 50 30 EIEARN C=CCN(CC=C)C(=O)c1ccc(OC(C)C)c(Br)c1 ZINC000008722898 210990805 /nfs/dbraw/zinc/99/08/05/210990805.db2.gz AIGAOBPIRWQBBN-UHFFFAOYSA-N 0 0 338.245 4.051 50 30 EIEARN C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1OC(F)(F)F ZINC000012517099 207162788 /nfs/dbraw/zinc/16/27/88/207162788.db2.gz VYVAJTIMUKOESJ-INIZCTEOSA-N 0 0 348.324 4.338 50 30 EIEARN C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=Cc5oncc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012660414 207184783 /nfs/dbraw/zinc/18/47/83/207184783.db2.gz POZRVZJJTULAOH-HCWGXPEJSA-N 0 0 337.463 4.221 50 30 biogenic EIEARN C=CCOc1cccc(C(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000004843053 210296101 /nfs/dbraw/zinc/29/61/01/210296101.db2.gz OLNXOJGZDZANFZ-UHFFFAOYSA-N 0 0 331.799 4.474 50 30 EIEARN CNc1ccccc(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)c1=O ZINC000097474727 219028094 /nfs/dbraw/zinc/02/80/94/219028094.db2.gz LSWNYXITEIPWOK-SREVYHEPSA-N 0 0 334.202 4.291 50 30 EIEARN COc1cccc([C@@H](CC(=O)c2ccc(Cl)cc2)C(C#N)C#N)c1 ZINC000000133184 258047698 /nfs/dbraw/zinc/04/76/98/258047698.db2.gz ZJOCKWJYQSJGHO-GOSISDBHSA-N 0 0 338.794 4.369 50 30 EIEARN COc1cc(/C=C2\Oc3c(c(Cl)ccc3Cl)C2=O)ccc1O ZINC000299738339 257985644 /nfs/dbraw/zinc/98/56/44/257985644.db2.gz XLYZGDCVIFZAOS-QPEQYQDCSA-N 0 0 337.158 4.324 50 30 EIEARN Cc1nnc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1 ZINC000328587184 258046212 /nfs/dbraw/zinc/04/62/12/258046212.db2.gz DHSJOVRRJSEKHO-KBPBESRZSA-N 0 0 332.407 4.329 50 30 EIEARN Cl/C(C=NN1CCN(Cc2ccccc2)CC1)=C\c1ccccc1 ZINC000245327757 258000257 /nfs/dbraw/zinc/00/02/57/258000257.db2.gz QKKCESWVVGBVCJ-CWWMYSCLSA-N 0 0 339.870 4.070 50 30 EIEARN C=CCCc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000330033138 258001769 /nfs/dbraw/zinc/00/17/69/258001769.db2.gz WNEIGRRMPGSXDY-LJQANCHMSA-N 0 0 338.455 4.311 50 30 EIEARN CC(C)(C(=O)NCc1ccc(OC2CCCC2)nc1)c1ccccn1 ZINC000330033241 258002208 /nfs/dbraw/zinc/00/22/08/258002208.db2.gz YEPFGLXTENEYQL-UHFFFAOYSA-N 0 0 339.439 4.232 50 30 EIEARN C#C[C@]1(O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@]4(C)O)[C@H]3CC[C@H]2C1 ZINC000245239000 258005244 /nfs/dbraw/zinc/00/52/44/258005244.db2.gz DJTOPBVAPKKSCO-KHGYNKOTSA-N 0 0 330.512 4.144 50 30 EIEARN C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(C)c1 ZINC000002891067 258047016 /nfs/dbraw/zinc/04/70/16/258047016.db2.gz RKKSBWFDCSTZCH-UHFFFAOYSA-N 0 0 349.459 4.415 50 30 EIEARN CN(C)c1ccc(CC=CN=NC2=NC(C)(C)Cc3ccccc32)cc1 ZINC000002309798 258049686 /nfs/dbraw/zinc/04/96/86/258049686.db2.gz UWOSJUZJGCQFTD-OQXHBXOGSA-N 0 0 346.478 4.123 50 30 EIEARN O=C(/C=C/c1ccccc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000007350081 258053148 /nfs/dbraw/zinc/05/31/48/258053148.db2.gz UBPYNKCHLZYZQS-ZHACJKMWSA-N 0 0 325.795 4.363 50 30 EIEARN CCOC(=O)c1sc(=Nc2ccc(Cl)c(Cl)c2)[nH]c1C ZINC000017195452 258056681 /nfs/dbraw/zinc/05/66/81/258056681.db2.gz KJBNRWAVJKJRJE-MUOMHZFWSA-N 0 0 331.224 4.120 50 30 EIEARN CCOC(=O)c1sc(=Nc2ccc(Cl)c(Cl)c2)[nH]c1C ZINC000017195455 258056748 /nfs/dbraw/zinc/05/67/48/258056748.db2.gz KJBNRWAVJKJRJE-ZDQRYUTBSA-N 0 0 331.224 4.120 50 30 EIEARN CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@]4(C)CC(=O)C=C[C@@H]4[C@@H]3CC[C@]21C ZINC000257346572 258073660 /nfs/dbraw/zinc/07/36/60/258073660.db2.gz SYCFUMIHMFWFGR-CJAFCWQJSA-N 0 0 330.468 4.306 50 30 EIEARN Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(c3cccc(C#N)n3)C2)cc1 ZINC000067542118 132811811 /nfs/dbraw/zinc/81/18/11/132811811.db2.gz NFUATLKSUTZFLY-QGZVFWFLSA-N 0 0 343.434 4.036 50 30 EIEARN C(C#CCOC/C=C\c1ccccc1)#CCOC/C=C\c1ccccc1 ZINC000006192825 518380264 /nfs/dbraw/zinc/38/02/64/518380264.db2.gz LCANUNCCXVNBEB-WHYMJUELSA-N 0 0 342.438 4.453 50 30 EIEARN CC(=CC(=O)c1ccccc1)C(=O)c1ccc(Br)cc1 ZINC000005257159 518412013 /nfs/dbraw/zinc/41/20/13/518412013.db2.gz XTHWSLFGDPYUEY-QXMHVHEDSA-N 0 0 329.193 4.461 50 30 EIEARN C=C(C)COc1ccccc1CN[C@@H](C)c1cn2ccsc2n1 ZINC000055341016 518622811 /nfs/dbraw/zinc/62/28/11/518622811.db2.gz ZBZKHDWYSGIWFM-AWEZNQCLSA-N 0 0 327.453 4.202 50 30 EIEARN C=C(C)CSc1nnc(N2C[C@@H](C)C[C@H](C)C2)n1Cc1ccco1 ZINC000071794092 518626210 /nfs/dbraw/zinc/62/62/10/518626210.db2.gz TZTOSRGGKMLMSL-GJZGRUSLSA-N 0 0 346.500 4.070 50 30 EIEARN C=CCN(C(=O)CCc1nc(-c2ccc(C)cc2)no1)c1ccccc1 ZINC000004921077 518731474 /nfs/dbraw/zinc/73/14/74/518731474.db2.gz HMMSOHBDNRNZDO-UHFFFAOYSA-N 0 0 347.418 4.197 50 30 EIEARN CC(C)(C)OC(=O)NCCC/N=C/c1ccc(C(F)(F)F)cc1 ZINC000003078874 518828503 /nfs/dbraw/zinc/82/85/03/518828503.db2.gz CFRJYYZLQHICAE-RGVLZGJSSA-N 0 0 330.350 4.039 50 30 EIEARN C=CCc1ccc(OC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000001753790 519133803 /nfs/dbraw/zinc/13/38/03/519133803.db2.gz LOQUSVCVOTVSFI-UHFFFAOYSA-N 0 0 342.351 4.251 50 30 EIEARN CCCCC#Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 ZINC000003997442 519904150 /nfs/dbraw/zinc/90/41/50/519904150.db2.gz LKEKKRCXOFIQDL-UHFFFAOYSA-N 0 0 327.449 4.170 50 30 EIEARN CCCCCCCNC(=O)COc1ccc(Br)c(C)c1 ZINC000002134927 520054142 /nfs/dbraw/zinc/05/41/42/520054142.db2.gz RHRMXDKQVYTKPA-UHFFFAOYSA-N 0 0 342.277 4.223 50 30 EIEARN CC1(C)CC(=O)C=C(Nc2ccccc2C(=O)NCc2ccccc2)C1 ZINC000008190394 520273357 /nfs/dbraw/zinc/27/33/57/520273357.db2.gz PLIKKYMCWNTDIJ-UHFFFAOYSA-N 0 0 348.446 4.302 50 30 EIEARN CCOc1ccc(C(=O)/C=C\c2ccc(OC3CSC3)cc2)cc1 ZINC000033924450 520871727 /nfs/dbraw/zinc/87/17/27/520871727.db2.gz YJFVQFWNUACWQA-XGICHPGQSA-N 0 0 340.444 4.476 50 30 EIEARN CCOc1ccc(NC(C)=CC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000004797759 521032720 /nfs/dbraw/zinc/03/27/20/521032720.db2.gz OBEVFGXAZSSFAG-WYMLVPIESA-N 0 0 339.391 4.055 50 30 EIEARN COC(=O)c1ccc(/C=C\C(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000033502392 521935803 /nfs/dbraw/zinc/93/58/03/521935803.db2.gz QUTFRFPUWSTZDC-MLPAPPSSSA-N 0 0 338.403 4.404 50 30 EIEARN COc1ccc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC000015545088 523539811 /nfs/dbraw/zinc/53/98/11/523539811.db2.gz KLBMEPNVZBRXFG-XVNBXDOJSA-N 0 0 347.754 4.162 50 30 EIEARN Cc1cccc(C(=N)NOC(=O)c2ccccc2-c2ccccc2)c1 ZINC000005013614 524150964 /nfs/dbraw/zinc/15/09/64/524150964.db2.gz HFKMVHLPZIDBJA-UHFFFAOYSA-N 0 0 330.387 4.139 50 30 EIEARN COc1ccc([C@@H](CC(=O)c2ccc(C)cc2)C(C#N)C#N)cc1OC ZINC000000266046 525173263 /nfs/dbraw/zinc/17/32/63/525173263.db2.gz NXYJRFHKWDBBNI-GOSISDBHSA-N 0 0 348.402 4.032 50 30 EIEARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1n[nH]c(-c2ccccc2)n1 ZINC000025156160 525938529 /nfs/dbraw/zinc/93/85/29/525938529.db2.gz MIXOHPZCHZHHDN-LLVKDONJSA-N 0 0 342.786 4.181 50 30 EIEARN C[C@H](CC#N)N(C)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000086282134 526217357 /nfs/dbraw/zinc/21/73/57/526217357.db2.gz XUMSKVQBYLCIRD-CQSZACIVSA-N 0 0 341.386 4.171 50 30 EIEARN NC(=O)COc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1 ZINC000000459767 526891406 /nfs/dbraw/zinc/89/14/06/526891406.db2.gz XLLYLAODBHXNBE-UCQKPKSFSA-N 0 0 346.386 4.094 50 30 EIEARN ClC(/C=N/N1CCN(Cc2ccccc2)CC1)=C/c1ccccc1 ZINC000020171609 526923121 /nfs/dbraw/zinc/92/31/21/526923121.db2.gz QKKCESWVVGBVCJ-RQRAPYSXSA-N 0 0 339.870 4.070 50 30 EIEARN Clc1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000015658734 526940437 /nfs/dbraw/zinc/94/04/37/526940437.db2.gz SNKAXUOQCWMCII-MOSHPQCFSA-N 0 0 334.250 4.150 50 30 EIEARN O=C(/C=C/c1ccc(/C=C/C(=O)c2ccncc2)cc1)c1ccncc1 ZINC000005252464 527604461 /nfs/dbraw/zinc/60/44/61/527604461.db2.gz WFGSKWSVYDCQLB-KQQUZDAGSA-N 0 0 340.382 4.269 50 30 EIEARN O=C(/C=C/c1cccc(Oc2ccccc2)c1)c1ccccc(=O)c1O ZINC000096318494 527627841 /nfs/dbraw/zinc/62/78/41/527627841.db2.gz COHUALZVLJUNNI-BUHFOSPRSA-N 0 0 344.366 4.441 50 30 EIEARN O=C(C=Cc1ccsc1)C[C@](O)(c1ccccc1)C(F)(F)F ZINC000004599440 527644707 /nfs/dbraw/zinc/64/47/07/527644707.db2.gz OHADLNDOWIELOA-LFAOLKIESA-N 0 0 326.339 4.171 50 30 EIEARN O=C(C(=CNNc1ccccc1)N=Nc1ccccc1)c1ccccc1 ZINC000004344434 527663169 /nfs/dbraw/zinc/66/31/69/527663169.db2.gz NCCIVQOMTQDZLQ-MRVXBADWSA-N 0 0 342.402 4.435 50 30 EIEARN Cn1c(Cl)nc(Cl)c1/C=C1\CSc2ccc(F)cc2C1=O ZINC000058368058 563943980 /nfs/dbraw/zinc/94/39/80/563943980.db2.gz QUNNGZYZMLXKEL-QPJJXVBHSA-N 0 0 343.210 4.238 50 30 EIEARN FC1(F)C(F)(F)C(F)(F)[C@](F)(Cl)[C@](F)(Cl)C1(F)F ZINC000082204979 563972896 /nfs/dbraw/zinc/97/28/96/563972896.db2.gz IESCLXSTSQIECY-XIXRPRMCSA-N 0 0 332.952 4.350 50 30 EIEARN C(=N/N=C(c1ccccc1)c1ccccc1)\c1ccc2c(c1)OCO2 ZINC000000027885 563211615 /nfs/dbraw/zinc/21/16/15/563211615.db2.gz WVIVQQPBGCHCTI-HYARGMPZSA-N 0 0 328.371 4.287 50 30 EIEARN CCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 ZINC000000128599 563237653 /nfs/dbraw/zinc/23/76/53/563237653.db2.gz MZTUUOYPPRWTPU-UHFFFAOYSA-N 0 0 338.403 4.213 50 30 EIEARN CCCC(=C1C(=O)CC(C[C@H](C)SCC)CC1=O)N1CCCC1 ZINC000000287328 563273131 /nfs/dbraw/zinc/27/31/31/563273131.db2.gz FYRNLYAWMQKHCA-MLCCFXAWSA-N 0 0 337.529 4.216 50 30 EIEARN Brc1cccc(/N=C/c2cnn(-c3ccccc3)c2)c1 ZINC000000340725 563286249 /nfs/dbraw/zinc/28/62/49/563286249.db2.gz AYTYBSRRMLCFLD-VCHYOVAHSA-N 0 0 326.197 4.385 50 30 EIEARN O=C(ONc1ccc(Cl)cc1C(=O)c1ccccc1)C(F)(F)F ZINC000000438398 563313367 /nfs/dbraw/zinc/31/33/67/563313367.db2.gz GEMAORGYKRYTRM-UHFFFAOYSA-N 0 0 343.688 4.003 50 30 EIEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=CC=Cc1ccco1 ZINC000002244621 563427735 /nfs/dbraw/zinc/42/77/35/563427735.db2.gz ZTGMZSZSLXXWJU-COQIBVDLSA-N 0 0 330.800 4.028 50 30 EIEARN CC(Nc1ccc(C(F)(F)F)cc1)=C1C(=O)c2ccccc2C1=O ZINC000002561777 563441626 /nfs/dbraw/zinc/44/16/26/563441626.db2.gz WTIWCLRPDCVEEO-UHFFFAOYSA-N 0 0 331.293 4.471 50 30 EIEARN N#CCc1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1 ZINC000002875504 563459743 /nfs/dbraw/zinc/45/97/43/563459743.db2.gz MPJQXPOHUXKPIG-UHFFFAOYSA-N 0 0 348.830 4.417 50 30 EIEARN C=CCOc1ccc(/C=C2\N=C(SCC=C)SC2=O)cc1OC ZINC000003000355 563469195 /nfs/dbraw/zinc/46/91/95/563469195.db2.gz RBMAEKBYJNUWBB-RAXLEYEMSA-N 0 0 347.461 4.150 50 30 EIEARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000003161851 563475200 /nfs/dbraw/zinc/47/52/00/563475200.db2.gz WWCITLYURLCGKT-UHFFFAOYSA-N 0 0 325.130 4.225 50 30 EIEARN S=C(N/N=C/c1c(Cl)cccc1Cl)NC1CCCCC1 ZINC000003288147 563478821 /nfs/dbraw/zinc/47/88/21/563478821.db2.gz WXWPQUOAOCOZRM-RQZCQDPDSA-N 0 0 330.284 4.124 50 30 EIEARN COc1ccc(CN=Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000004133003 563495775 /nfs/dbraw/zinc/49/57/75/563495775.db2.gz VYWAQJDQRSPIFL-UFFVCSGVSA-N 0 0 338.436 4.025 50 30 EIEARN Cc1ccc(CN=Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)o1 ZINC000004550875 563505047 /nfs/dbraw/zinc/50/50/47/563505047.db2.gz CATCIOLOJDERMR-LZYBPNLTSA-N 0 0 328.353 4.066 50 30 EIEARN O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000004582831 563505820 /nfs/dbraw/zinc/50/58/20/563505820.db2.gz VSCQVUUNFUZOBZ-LREOWRDNSA-N 0 0 331.165 4.074 50 30 EIEARN C=CCSC1=N/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)S1 ZINC000004845388 563513612 /nfs/dbraw/zinc/51/36/12/563513612.db2.gz RBPDVATUUPXHEW-POHAHGRESA-N 0 0 340.813 4.138 50 30 EIEARN C=CCOc1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000004867716 563514251 /nfs/dbraw/zinc/51/42/51/563514251.db2.gz PDFRDZJSFOTAES-UHFFFAOYSA-N 0 0 332.197 4.266 50 30 EIEARN O=C(O/N=C1/CCOc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000005044537 563519898 /nfs/dbraw/zinc/51/98/98/563519898.db2.gz AYQREQLLXRMNMD-RGEXLXHISA-N 0 0 336.174 4.337 50 30 EIEARN Nc1ccccc1C(=[NH+][N-]c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000005338278 563527663 /nfs/dbraw/zinc/52/76/63/563527663.db2.gz DNLDHLCLOIYUGS-ZBJSNUHESA-N 0 0 332.363 4.042 50 30 EIEARN COc1ccc(-c2c(C#N)c(=S)[nH]c3c2C(=O)CC(C)(C)C3)cc1 ZINC000005741699 563548466 /nfs/dbraw/zinc/54/84/66/563548466.db2.gz NKJFOHRGILPPLK-UHFFFAOYSA-N 0 0 338.432 4.073 50 30 EIEARN CCOc1cc(C=C2CCCC(C(=O)C(F)(F)F)=C2O)ccc1O ZINC000005790052 563550401 /nfs/dbraw/zinc/55/04/01/563550401.db2.gz ADVUXHUTICCYDS-NJAVVXAXSA-N 0 0 342.313 4.302 50 30 EIEARN Cc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000006819550 563587502 /nfs/dbraw/zinc/58/75/02/563587502.db2.gz VCDKESGYAWSRIZ-ZFWWWQNUSA-N 0 0 337.444 4.061 50 30 EIEARN CCCCCCCCCCCCCCCC(=O)OC(CO)CO ZINC000008022579 563619639 /nfs/dbraw/zinc/61/96/39/563619639.db2.gz BBNYCLAREVXOSG-UHFFFAOYSA-N 0 0 330.509 4.364 50 30 endogenous,in-man EIEARN CC(C)(C)c1ccc(C(=O)ONC(=N)c2ccc(Cl)cc2)s1 ZINC000008552958 563632310 /nfs/dbraw/zinc/63/23/10/563632310.db2.gz ICPFXFSGISISIK-UHFFFAOYSA-N 0 0 336.844 4.176 50 30 EIEARN COc1ccc(NN=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000012462008 563661423 /nfs/dbraw/zinc/66/14/23/563661423.db2.gz QZHMKPFOJLNHSR-HAVVHWLPSA-N 0 0 348.431 4.467 50 30 EIEARN CCOc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)cc1 ZINC000012464776 563661530 /nfs/dbraw/zinc/66/15/30/563661530.db2.gz KWAZHKZKMKKBCG-SXXHPKIYSA-N 0 0 338.432 4.319 50 30 EIEARN Oc1ccc(Br)cc1C=NN=c1[nH]c2ccccc2s1 ZINC000004413162 563690972 /nfs/dbraw/zinc/69/09/72/563690972.db2.gz OCVIGUACSOHJHP-LZYBPNLTSA-N 0 0 348.225 4.210 50 30 EIEARN CCc1c(C)sc(NC(=O)c2ccc(Br)o2)c1C#N ZINC000004423222 563697108 /nfs/dbraw/zinc/69/71/08/563697108.db2.gz KVTZQVIEYDRISZ-UHFFFAOYSA-N 0 0 339.214 4.098 50 30 EIEARN O=C(Cc1nc2ccccc2[nH]c1=O)c1cccc(Br)c1 ZINC000015685688 563790648 /nfs/dbraw/zinc/79/06/48/563790648.db2.gz YMXBYGHSGKVSQP-NTEUORMPSA-N 0 0 343.180 4.229 50 30 EIEARN Cc1ccc(C(=O)C(C#N)=NNc2ccc(Cl)cc2Cl)cc1 ZINC000017201623 563840596 /nfs/dbraw/zinc/84/05/96/563840596.db2.gz NDZLNTDWZLKIFG-QNGOZBTKSA-N 0 0 332.190 4.476 50 30 EIEARN C=CCOc1cc(C(=O)NCc2ccc(F)cc2)cc2occc21 ZINC000072240269 563884323 /nfs/dbraw/zinc/88/43/23/563884323.db2.gz IZCZZKMKUMRGII-UHFFFAOYSA-N 0 0 325.339 4.067 50 30 EIEARN C(=N\N=C(\Cc1ccccc1)c1nc2ccccc2[nH]1)\c1cccnc1 ZINC000005018053 563919176 /nfs/dbraw/zinc/91/91/76/563919176.db2.gz PRFGOBKPBDGXGF-XRMUUGKUSA-N 0 0 339.402 4.024 50 30 EIEARN COc1cccc2cc(C(=O)/C=C/c3cccc(OCC#N)c3)oc21 ZINC000058325016 563942496 /nfs/dbraw/zinc/94/24/96/563942496.db2.gz XZEHUDJNFHYUGI-CMDGGOBGSA-N 0 0 333.343 4.240 50 30 EIEARN C=CCSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 ZINC000003170124 563962185 /nfs/dbraw/zinc/96/21/85/563962185.db2.gz IHKCUNPCSMDLRK-UHFFFAOYSA-N 0 0 346.814 4.456 50 30 EIEARN Cc1ccc(-c2n[n-]c(=S)n2N=Cc2cc(Cl)ccc2O)cc1 ZINC000004699600 563964816 /nfs/dbraw/zinc/96/48/16/563964816.db2.gz KEJKKPROIVMIRV-GIJQJNRQSA-N 0 0 344.827 4.157 50 30 EIEARN CCCCCCCNC(=O)c1ccc(C#CC2(O)CCCCC2)cc1 ZINC000097996948 563970461 /nfs/dbraw/zinc/97/04/61/563970461.db2.gz NJJDAYLCXITVFN-UHFFFAOYSA-N 0 0 341.495 4.434 50 30 EIEARN O=C1CCCC2=C1[C@@H](c1ccccn1)c1c(ccc3ncccc31)N2 ZINC000000054407 563971017 /nfs/dbraw/zinc/97/10/17/563971017.db2.gz FXRXACSTZZSUAJ-NRFANRHFSA-N 0 0 327.387 4.194 50 30 EIEARN N#C[C@@H](C(=O)Nc1cccc2ccccc21)C(=O)c1ccc(Cl)o1 ZINC000128725582 563973990 /nfs/dbraw/zinc/97/39/90/563973990.db2.gz PPZLNYFBOLQHCO-CYBMUJFWSA-N 0 0 338.750 4.047 50 30 EIEARN N#Cc1c2c(sc1NC(=O)c1cccnc1Cl)CCCCC2 ZINC000000084696 563975032 /nfs/dbraw/zinc/97/50/32/563975032.db2.gz UOZNXXDHMQHJIE-UHFFFAOYSA-N 0 0 331.828 4.189 50 30 EIEARN COC(=O)Nc1cccc(NCc2ncc(-c3ccc(C#N)cc3)o2)c1 ZINC000072911783 563981198 /nfs/dbraw/zinc/98/11/98/563981198.db2.gz MYMNXIKOPOYRGH-UHFFFAOYSA-N 0 0 348.362 4.004 50 30 EIEARN Cn1cc(CN=Nc2nnc(Cl)c3ccccc32)c2ccccc21 ZINC000004820264 563981661 /nfs/dbraw/zinc/98/16/61/563981661.db2.gz QNPOREPAGMWYGB-KEBDBYFISA-N 0 0 335.798 4.221 50 30 EIEARN COc1cc(OC)c(C(=O)/C=C\c2ccccc2Cl)c(OC)c1 ZINC000098064729 563982221 /nfs/dbraw/zinc/98/22/21/563982221.db2.gz VALXXUGYOUKCIH-HJWRWDBZSA-N 0 0 332.783 4.262 50 30 EIEARN CCCC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)CC(C)(C)CC1=O ZINC000100319234 563982556 /nfs/dbraw/zinc/98/25/56/563982556.db2.gz YGNOEKOVBKSGBC-UHFFFAOYSA-N 0 0 330.384 4.019 50 30 EIEARN CCCCCCCCCCCCS(=O)(=O)CCC(=O)OCC ZINC000100693531 563982719 /nfs/dbraw/zinc/98/27/19/563982719.db2.gz DPGCFUVOGVBATH-UHFFFAOYSA-N 0 0 334.522 4.275 50 30 EIEARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(CC#N)cc1 ZINC000000100173 563983129 /nfs/dbraw/zinc/98/31/29/563983129.db2.gz AHUYHWFGXXPXJM-CYBMUJFWSA-N 0 0 328.799 4.121 50 30 EIEARN Cc1sc(NC(=O)Cc2cccc(C(F)(F)F)c2)c(C#N)c1C ZINC000014108635 563983237 /nfs/dbraw/zinc/98/32/37/563983237.db2.gz TYWQHTCCIRCVEN-UHFFFAOYSA-N 0 0 338.354 4.437 50 30 EIEARN CCOC(=O)c1sc(=Nc2ccc(Cl)c(Cl)c2)[nH]c1C ZINC000102915820 563983297 /nfs/dbraw/zinc/98/32/97/563983297.db2.gz KJBNRWAVJKJRJE-DUQXYPDUSA-N 0 0 331.224 4.120 50 30 EIEARN COc1ccc(/C=C2\CC[C@H](C3CCCC3)C2=O)c(OC)c1OC ZINC000000247832 563989433 /nfs/dbraw/zinc/98/94/33/563989433.db2.gz YISXPLFZLBNYND-WCRPCQDQSA-N 0 0 330.424 4.265 50 30 EIEARN CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C#N ZINC000000258904 563989624 /nfs/dbraw/zinc/98/96/24/563989624.db2.gz BHQUAZKGHPKCAK-UHFFFAOYSA-N 0 0 349.799 4.305 50 30 EIEARN N#Cc1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000005051021 563994089 /nfs/dbraw/zinc/99/40/89/563994089.db2.gz UTRWBWIIYBCFOX-UHFFFAOYSA-N 0 0 332.384 4.431 50 30 EIEARN COc1ccc(NC(C)=O)cc1NCc1ccccc1C(C)(C)C#N ZINC000131445690 563996342 /nfs/dbraw/zinc/99/63/42/563996342.db2.gz SIBCBSJICNICJI-UHFFFAOYSA-N 0 0 337.423 4.067 50 30 EIEARN N#CCn1c2ccc(Br)cc2c2nc3ccccc3nc21 ZINC000000205530 563997985 /nfs/dbraw/zinc/99/79/85/563997985.db2.gz XMDQXUUDOWYSKL-UHFFFAOYSA-N 0 0 337.180 4.024 50 30 EIEARN CC(=NN1CCN(Cc2ccc(C)cc2)CC1)c1ccc(Cl)cc1 ZINC000252620926 563998008 /nfs/dbraw/zinc/99/80/08/563998008.db2.gz MPHFUNAZQBMGND-UHFFFAOYSA-N 0 0 341.886 4.190 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccccc1F ZINC000000428061 563998867 /nfs/dbraw/zinc/99/88/67/563998867.db2.gz ZMVMCBDAVKEEMP-RDTXWAMCSA-N 0 0 344.407 4.207 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc(CC)cc1 ZINC000000428098 563998870 /nfs/dbraw/zinc/99/88/70/563998870.db2.gz AHWDGCDFAHQUDG-YLJYHZDGSA-N 0 0 338.403 4.161 50 30 EIEARN Cc1ccc2cc3cc(C(=O)Nc4cccc(C#N)c4)oc3nc2c1 ZINC000000429025 563998928 /nfs/dbraw/zinc/99/89/28/563998928.db2.gz QZHBQSORQFKFEM-UHFFFAOYSA-N 0 0 327.343 4.413 50 30 EIEARN O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1cccc(F)c1 ZINC000000429927 563999119 /nfs/dbraw/zinc/99/91/19/563999119.db2.gz QOYDAMQZWXXOPM-LSHDLFTRSA-N 0 0 349.390 4.146 50 30 EIEARN CO/N=C1/C[C@@H](C)Cc2nnc(-c3ccc(Cl)cc3Cl)cc21 ZINC000005211824 564001099 /nfs/dbraw/zinc/00/10/99/564001099.db2.gz IDIHQEKFIQIKTB-GWHXSHPPSA-N 0 0 336.222 4.383 50 30 EIEARN N#Cc1c2nc3ccccc3n2c(N2CCCCC2)cc1C(F)(F)F ZINC000005387747 564003472 /nfs/dbraw/zinc/00/34/72/564003472.db2.gz LKPWDTJRYQAUED-UHFFFAOYSA-N 0 0 344.340 4.368 50 30 EIEARN COc1ccc(C(=O)C(=CNc2ccccc2)C(=O)C(F)(F)F)cc1 ZINC000100862314 564016942 /nfs/dbraw/zinc/01/69/42/564016942.db2.gz LYNDUBKNGOLDCJ-PTNGSMBKSA-N 0 0 349.308 4.005 50 30 EIEARN O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)c1cc3c(cc1N2)OCO3 ZINC000018196723 564018669 /nfs/dbraw/zinc/01/86/69/564018669.db2.gz JNYFNEOJMFBJRO-IBGZPJMESA-N 0 0 337.350 4.119 50 30 EIEARN O=C1CCCC2=C1[C@H](c1ccsc1)c1cc3c(cc1N2)OCO3 ZINC000018196694 564018682 /nfs/dbraw/zinc/01/86/82/564018682.db2.gz VYIXFQRWSUKKMR-QGZVFWFLSA-N 0 0 325.389 4.041 50 30 EIEARN C[C@H](/N=C1\SCCN1C(=O)CCc1ccccc1)c1ccccc1 ZINC000101379336 564019416 /nfs/dbraw/zinc/01/94/16/564019416.db2.gz MPGWSKDVOCHHRL-JHBCHSCWSA-N 0 0 338.476 4.312 50 30 EIEARN CCc1ccc2[nH]c(=NC=C3C(=O)CC(C)(C)CC3=O)sc2c1 ZINC000102814970 564020717 /nfs/dbraw/zinc/02/07/17/564020717.db2.gz CRJLKEIWIMYPKP-UHFFFAOYSA-N 0 0 328.437 4.113 50 30 EIEARN C#Cc1cccc(N(C)C(=O)c2csc(-c3ccc(OC)cc3)n2)c1 ZINC000103032233 564021155 /nfs/dbraw/zinc/02/11/55/564021155.db2.gz UYFSAHNTKBEINL-UHFFFAOYSA-N 0 0 348.427 4.077 50 30 EIEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000000532061 564021671 /nfs/dbraw/zinc/02/16/71/564021671.db2.gz SNMCYHILAIBBER-MRXNPFEDSA-N 0 0 331.419 4.051 50 30 EIEARN COc1ccc(C(=O)C(=CNc2ccccc2)C(=O)C(F)(F)F)cc1 ZINC000103463076 564022477 /nfs/dbraw/zinc/02/24/77/564022477.db2.gz LYNDUBKNGOLDCJ-RVDMUPIBSA-N 0 0 349.308 4.005 50 30 EIEARN C[C@H]1CCc2c(sc(NC(=O)C(Cl)(Cl)Cl)c2C#N)C1 ZINC000000570349 564023694 /nfs/dbraw/zinc/02/36/94/564023694.db2.gz DDDLSYNEMIXRMR-LURJTMIESA-N 0 0 337.659 4.053 50 30 EIEARN CC(=CC(=O)[C@H](C#N)c1ccccn1)c1ccc(C(F)(F)F)cc1 ZINC000103735805 564023110 /nfs/dbraw/zinc/02/31/10/564023110.db2.gz AZIOBYNBHMDYSQ-HBIYDYFMSA-N 0 0 330.309 4.380 50 30 EIEARN O=C1c2ccccc2C2=C1[C@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000100573284 564023835 /nfs/dbraw/zinc/02/38/35/564023835.db2.gz AMIBIUDRACBEGW-QGZVFWFLSA-N 0 0 333.412 4.050 50 30 EIEARN Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000048314848 564030904 /nfs/dbraw/zinc/03/09/04/564030904.db2.gz HWRFCQMCGNLOAS-JLHYYAGUSA-N 0 0 347.374 4.293 50 30 EIEARN N#CC(C(=O)C1(c2ccccc2)CCC1)c1ccc(C(F)(F)F)cn1 ZINC000048828996 564032327 /nfs/dbraw/zinc/03/23/27/564032327.db2.gz DZKKBBVQWFLFHL-HNNXBMFYSA-N 0 0 344.336 4.399 50 30 EIEARN N#Cc1ccc(OCc2csc(COc3ccc(F)cc3)n2)cc1 ZINC000014902010 564033058 /nfs/dbraw/zinc/03/30/58/564033058.db2.gz LOLUBXGNVPAYNF-UHFFFAOYSA-N 0 0 340.379 4.312 50 30 EIEARN CC[C@@H]1CCc2sc(-c3nnc(S[C@H](C)C#N)n3C)cc2C1 ZINC000005776370 564035886 /nfs/dbraw/zinc/03/58/86/564035886.db2.gz QDOIBKNWULSQLE-GHMZBOCLSA-N 0 0 332.498 4.063 50 30 EIEARN C#CCOc1ccc(/C=C2\SC(=O)N(CCCC)C2=O)cc1Cl ZINC000002817389 564036006 /nfs/dbraw/zinc/03/60/06/564036006.db2.gz VBGSWDSTBHYCCB-PTNGSMBKSA-N 0 0 349.839 4.188 50 30 EIEARN N#C[C@@H](C(=O)c1cccc(Cl)c1)c1nc(-c2ccncc2)cs1 ZINC000128838390 564051019 /nfs/dbraw/zinc/05/10/19/564051019.db2.gz HTVLXSQZWVJQLX-AWEZNQCLSA-N 0 0 339.807 4.349 50 30 EIEARN COC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000244882669 564052343 /nfs/dbraw/zinc/05/23/43/564052343.db2.gz XWFWMYFLNHTEBF-ZSPTZRBXSA-N 0 0 330.468 4.308 50 30 EIEARN C=C1C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(O)C(C)=O ZINC000253536105 564053640 /nfs/dbraw/zinc/05/36/40/564053640.db2.gz CAHSRYQWSFJFGS-SNMGDHFUSA-N 0 0 342.479 4.005 50 30 EIEARN Cc1ccc(/N=C2\NC(=O)[C@@H](Cc3ccccc3Cl)S2)cc1 ZINC000005812646 564054547 /nfs/dbraw/zinc/05/45/47/564054547.db2.gz QFXYURKPGDEENG-OAHLLOKOSA-N 0 0 330.840 4.110 50 30 EIEARN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]21C ZINC000257358760 564056009 /nfs/dbraw/zinc/05/60/09/564056009.db2.gz WFEIIAIREWCXNS-LLFWWXHZSA-N 0 0 342.479 4.149 50 30 EIEARN CC(=O)c1csc(NC(=O)c2ccccc2-c2ccccc2C#N)n1 ZINC000052770699 564057591 /nfs/dbraw/zinc/05/75/91/564057591.db2.gz JGQVWKAWVSMNCU-UHFFFAOYSA-N 0 0 347.399 4.137 50 30 EIEARN N#Cc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 ZINC000012538551 564058478 /nfs/dbraw/zinc/05/84/78/564058478.db2.gz RNMDMJDHFLOVOS-UHFFFAOYSA-N 0 0 344.399 4.187 50 30 EIEARN C[C@H](Nc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012562421 564059635 /nfs/dbraw/zinc/05/96/35/564059635.db2.gz KSRVDYKCTJMRIV-ZDUSSCGKSA-N 0 0 339.464 4.328 50 30 EIEARN N#Cc1c(NC(=O)CCSc2ccccc2)sc2c1CCC2 ZINC000004078599 564061831 /nfs/dbraw/zinc/06/18/31/564061831.db2.gz ZPDOCPXVSTVICR-UHFFFAOYSA-N 0 0 328.462 4.229 50 30 EIEARN CC(C)CCn1c(C=NN=c2[nH]c3ccccc3[nH]2)nc2ccccc21 ZINC000004108659 564062839 /nfs/dbraw/zinc/06/28/39/564062839.db2.gz YMCXILLKNSKAGF-FYJGNVAPSA-N 0 0 346.438 4.405 50 30 EIEARN C=C(C)CNC(=S)N1CC=C(c2c[nH]c3c2cccc3CC)CC1 ZINC000083827725 564063518 /nfs/dbraw/zinc/06/35/18/564063518.db2.gz LQLBOQHRMSWZPG-UHFFFAOYSA-N 0 0 339.508 4.270 50 30 EIEARN CSc1cc(-c2ccccc2)n(Cc2ccc(C)cc2)c(=O)c1C#N ZINC000001388919 564063962 /nfs/dbraw/zinc/06/39/62/564063962.db2.gz XONAPNFCXJFJNU-UHFFFAOYSA-N 0 0 346.455 4.466 50 30 EIEARN N#Cc1c(CSc2nc3cc(F)c(F)cc3[nH]2)cn2ccccc12 ZINC000084606668 564069052 /nfs/dbraw/zinc/06/90/52/564069052.db2.gz HDZOPGPGPXVODY-UHFFFAOYSA-N 0 0 340.358 4.258 50 30 EIEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc3ccccc32)NC(=O)N1 ZINC000006050412 564072785 /nfs/dbraw/zinc/07/27/85/564072785.db2.gz GECNUUKTTPUGMP-HXUWFJFHSA-N 0 0 342.398 4.351 50 30 EIEARN C=C(C)Cn1cnc2c(oc3nc(C(C)C)c4c(c32)CCCC4)c1=O ZINC000013692781 564073989 /nfs/dbraw/zinc/07/39/89/564073989.db2.gz LKDANCPCXHTXPS-UHFFFAOYSA-N 0 0 337.423 4.116 50 30 EIEARN C=CCn1cnc2sc(C)c(-c3ccc(OCC)cc3)c2c1=O ZINC000000148887 564074506 /nfs/dbraw/zinc/07/45/06/564074506.db2.gz AZTXMNZEGCPBFC-UHFFFAOYSA-N 0 0 326.421 4.018 50 30 EIEARN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(C(=O)OCC)cc1)C2 ZINC000000468919 564074565 /nfs/dbraw/zinc/07/45/65/564074565.db2.gz CXBVUQWXOGDQKD-FOIQADDNSA-N 0 0 327.424 4.184 50 30 EIEARN N#Cc1cccc(C(=O)N(CCc2cccs2)Cc2ccoc2)c1 ZINC000090612294 564085003 /nfs/dbraw/zinc/08/50/03/564085003.db2.gz QEDVICWFKQNVTJ-UHFFFAOYSA-N 0 0 336.416 4.098 50 30 EIEARN CC(C)(C)c1ccc(C=NN2C(=S)N=NC2c2ccccc2)cc1 ZINC000239030650 564087993 /nfs/dbraw/zinc/08/79/93/564087993.db2.gz CDWCHFHQQWAUSC-UHFFFAOYSA-N 0 0 336.464 4.414 50 30 EIEARN Clc1ccc(CSc2nncn2/N=C/c2cccs2)cc1 ZINC000001917947 564090028 /nfs/dbraw/zinc/09/00/28/564090028.db2.gz RLRXGIQTVVMJLQ-CAOOACKPSA-N 0 0 334.857 4.168 50 30 EIEARN CCOC(=O)c1sc(NC(=O)c2cccc(Cl)c2)c(C#N)c1C ZINC000001965027 564090360 /nfs/dbraw/zinc/09/03/60/564090360.db2.gz JWIIEODYNJFTSN-UHFFFAOYSA-N 0 0 348.811 4.011 50 30 EIEARN COc1cc2nc(/N=C/c3cc(Cl)ccc3O)sc2cc1OC ZINC000005670222 564093304 /nfs/dbraw/zinc/09/33/04/564093304.db2.gz RWGKBRVHSYVKDO-QGMBQPNBSA-N 0 0 348.811 4.423 50 30 EIEARN C=CCSc1ncc(Cl)c(C(=O)Nc2c(C)cccc2C)n1 ZINC000006748031 564097026 /nfs/dbraw/zinc/09/70/26/564097026.db2.gz PTKAESWIEOMSRJ-UHFFFAOYSA-N 0 0 333.844 4.277 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1cccc(Cl)c1 ZINC000006758304 564097257 /nfs/dbraw/zinc/09/72/57/564097257.db2.gz HUCDVQSVPBEBKM-CRAIPNDOSA-N 0 0 344.794 4.252 50 30 EIEARN CCOc1ccc(N(Cc2ccccc2C#N)C2=NCCS2)cc1 ZINC000006785001 564097732 /nfs/dbraw/zinc/09/77/32/564097732.db2.gz IVCYTUDKTUKIHD-UHFFFAOYSA-N 0 0 337.448 4.066 50 30 EIEARN COc1ccc(C(=O)O/N=C2\CCCc3c4ccccc4[nH]c32)cc1 ZINC000006843380 564099521 /nfs/dbraw/zinc/09/95/21/564099521.db2.gz QNRNZAJIMSSRJC-RELWKKBWSA-N 0 0 334.375 4.074 50 30 EIEARN N#Cc1ccc(-c2csc(NC(=O)CCc3ccsc3)n2)cc1 ZINC000006881273 564100570 /nfs/dbraw/zinc/10/05/70/564100570.db2.gz BQGGMUHLZQHFMP-UHFFFAOYSA-N 0 0 339.445 4.315 50 30 EIEARN N#Cc1ccc(C(=O)Oc2ccc(Cl)cc2Br)cc1 ZINC000007058640 564104029 /nfs/dbraw/zinc/10/40/29/564104029.db2.gz BINRLPZKTGXQIN-UHFFFAOYSA-N 0 0 336.572 4.193 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccsc1 ZINC000170618107 564110124 /nfs/dbraw/zinc/11/01/24/564110124.db2.gz CNKJAIIDFUIMKZ-GOEBONIOSA-N 0 0 332.446 4.129 50 30 EIEARN CN(C(=O)CON=C1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000014354289 564112428 /nfs/dbraw/zinc/11/24/28/564112428.db2.gz TVQGQSMABVUWFV-UHFFFAOYSA-N 0 0 342.398 4.099 50 30 EIEARN CCOC(=O)c1ccc(Nc2c(C#N)cnc3c(OC)cccc32)cc1 ZINC000016840747 564113780 /nfs/dbraw/zinc/11/37/80/564113780.db2.gz OJHJVKIUDCHGRX-UHFFFAOYSA-N 0 0 347.374 4.035 50 30 EIEARN N#C[C@H](C(=O)Nc1ccccc1F)c1nc(-c2ccccc2)cs1 ZINC000089851280 564114381 /nfs/dbraw/zinc/11/43/81/564114381.db2.gz CBGFMRYBXQEPKV-CYBMUJFWSA-N 0 0 337.379 4.195 50 30 EIEARN C=CCN(C(=O)c1cccc(Oc2cnccn2)c1)c1ccccc1 ZINC000134418203 564117660 /nfs/dbraw/zinc/11/76/60/564117660.db2.gz NNXWNIBAENKOTA-UHFFFAOYSA-N 0 0 331.375 4.102 50 30 EIEARN C=CCC1(C(=O)N2CCC(C(=O)c3ccccc3)CC2)CCCC1 ZINC000449209249 564117870 /nfs/dbraw/zinc/11/78/70/564117870.db2.gz PBOMHUOSSQLSOI-UHFFFAOYSA-N 0 0 325.452 4.244 50 30 EIEARN N#CCC[C@@H](C#N)CN1CCC(c2ccc(Br)cc2)CC1 ZINC000252484467 564119260 /nfs/dbraw/zinc/11/92/60/564119260.db2.gz FXFZTRWKJAMCHY-AWEZNQCLSA-N 0 0 346.272 4.072 50 30 EIEARN C[C@H](CCC#N)Sc1nnc(-c2cccs2)n1Cc1ccco1 ZINC000252493131 564119623 /nfs/dbraw/zinc/11/96/23/564119623.db2.gz MZVJCVZJNRUFIF-GFCCVEGCSA-N 0 0 344.465 4.432 50 30 EIEARN CC(C)(C)C(=O)C=CNc1ccc(I)cc1 ZINC000252602714 564121220 /nfs/dbraw/zinc/12/12/20/564121220.db2.gz FJTDGTLAUGVREQ-YKKGADOQSA-N 0 0 329.181 4.482 50 30 EIEARN Cc1nc2cc(N=Cc3cc(Br)ccc3O)ccc2n1C ZINC000252630066 564123519 /nfs/dbraw/zinc/12/35/19/564123519.db2.gz UTUZGWBLZCQJDF-UHFFFAOYSA-N 0 0 344.212 4.100 50 30 EIEARN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1ccccc1 ZINC000252633086 564124115 /nfs/dbraw/zinc/12/41/15/564124115.db2.gz VYYWPLVUMGQPCS-UHFFFAOYSA-N 0 0 326.359 4.124 50 30 EIEARN CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000066157312 564124570 /nfs/dbraw/zinc/12/45/70/564124570.db2.gz YPXHHKUQOXRXMA-UHFFFAOYSA-N 0 0 336.439 4.067 50 30 EIEARN CCOC(=O)c1cccc(N=Cc2cccc(Br)c2)c1 ZINC000252640222 564124646 /nfs/dbraw/zinc/12/46/46/564124646.db2.gz YRNFCVAIMFKUTG-UHFFFAOYSA-N 0 0 332.197 4.376 50 30 EIEARN CC(C)C[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1ccco1)C3=O ZINC000253408574 564130694 /nfs/dbraw/zinc/13/06/94/564130694.db2.gz KWKDSWMFYIGMNB-YUSFRKCESA-N 0 0 338.359 4.335 50 30 EIEARN COc1cccc(Nc2nnc(S[C@@H]3CC[C@@H](C#N)C3)s2)c1 ZINC000253428907 564131302 /nfs/dbraw/zinc/13/13/02/564131302.db2.gz LOUGKXLLRDJHMP-ZWNOBZJWSA-N 0 0 332.454 4.075 50 30 EIEARN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253497553 564132759 /nfs/dbraw/zinc/13/27/59/564132759.db2.gz DJPZSBANTAQNFN-OWQNAKTJSA-N 0 0 330.468 4.450 50 30 EIEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]2(O)CC#N ZINC000253499657 564132792 /nfs/dbraw/zinc/13/27/92/564132792.db2.gz INRPBWOOOGNJSE-LDIYZUBKSA-N 0 0 327.468 4.163 50 30 EIEARN N#Cc1c2c(c(N3CCCCCC3)n3c4ccccc4nc13)CCC2 ZINC000000135260 564132876 /nfs/dbraw/zinc/13/28/76/564132876.db2.gz POUIOQIDDHSBKX-UHFFFAOYSA-N 0 0 330.435 4.228 50 30 EIEARN Cc1cc(NCCc2ccccc2)n2c3ccccc3nc2c1C#N ZINC000000187761 564132985 /nfs/dbraw/zinc/13/29/85/564132985.db2.gz HUGBSTODQMRBPO-UHFFFAOYSA-N 0 0 326.403 4.322 50 30 EIEARN N#Cc1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000000303972 564133091 /nfs/dbraw/zinc/13/30/91/564133091.db2.gz GFRKZGLNZNYVFI-UHFFFAOYSA-N 0 0 326.355 4.435 50 30 EIEARN COc1ccc(C=O)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000000371615 564133141 /nfs/dbraw/zinc/13/31/41/564133141.db2.gz MWGXHVQZRIDREU-UHFFFAOYSA-N 0 0 348.374 4.313 50 30 EIEARN N#Cc1ccccc1-c1ccc(Cn2cnc3sccc3c2=O)cc1 ZINC000012993880 564135784 /nfs/dbraw/zinc/13/57/84/564135784.db2.gz YHQMBFQBLKEOCK-UHFFFAOYSA-N 0 0 343.411 4.045 50 30 EIEARN Cc1cccc(-c2nc(CC(=O)Nc3cccc(C#N)c3)cs2)c1 ZINC000012993216 564135812 /nfs/dbraw/zinc/13/58/12/564135812.db2.gz UDNLUUBTEWAIFX-UHFFFAOYSA-N 0 0 333.416 4.171 50 30 EIEARN Cc1ccc([C@H](NC(=O)[C@H]2Cc3ccccc3O2)c2ccccn2)cc1 ZINC000328586531 564136516 /nfs/dbraw/zinc/13/65/16/564136516.db2.gz OABPVCCGGUBRCT-RTWAWAEBSA-N 0 0 344.414 4.440 50 30 EIEARN O=C(Nc1ccsc1Cl)N1CCC(Cc2cccnc2)CC1 ZINC000328588453 564136627 /nfs/dbraw/zinc/13/66/27/564136627.db2.gz PMWBNDAVMNAYFD-UHFFFAOYSA-N 0 0 335.860 4.297 50 30 EIEARN O=C(Nc1ncc(C(F)(F)F)s1)N1CCC[C@H]1c1ccco1 ZINC000328588583 564136635 /nfs/dbraw/zinc/13/66/35/564136635.db2.gz JGPSFQAOGADSMQ-QMMMGPOBSA-N 0 0 331.319 4.138 50 30 EIEARN N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1NCCc1ccccc1 ZINC000096346551 564146876 /nfs/dbraw/zinc/14/68/76/564146876.db2.gz AHITXPXITHQFPL-MSOLQXFVSA-N 0 0 329.403 4.472 50 30 EIEARN Cc1ccc(Oc2ccc(NC(=O)N(CCC#N)C3CC3)cc2)nc1 ZINC000096434922 564148046 /nfs/dbraw/zinc/14/80/46/564148046.db2.gz BLQLEZGEBDVJDU-UHFFFAOYSA-N 0 0 336.395 4.092 50 30 EIEARN COc1ccc(-c2nnc(SCC#N)n2[C@H]2CCCC[C@H]2C)cc1 ZINC000002627496 564151369 /nfs/dbraw/zinc/15/13/69/564151369.db2.gz YIPJRWVOQPIIRT-CJNGLKHVSA-N 0 0 342.468 4.321 50 30 EIEARN N#Cc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000002632936 564151511 /nfs/dbraw/zinc/15/15/11/564151511.db2.gz SCHRLPZBWBQATJ-UHFFFAOYSA-N 0 0 328.371 4.390 50 30 EIEARN C=CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000002721380 564152270 /nfs/dbraw/zinc/15/22/70/564152270.db2.gz UXRZEKGEZSLXPE-ZDUSSCGKSA-N 0 0 339.826 4.367 50 30 EIEARN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)ccc1Cl ZINC000003445299 564158168 /nfs/dbraw/zinc/15/81/68/564158168.db2.gz SGZWTOXVEYMMFG-JTQLQIEISA-N 0 0 335.190 4.271 50 30 EIEARN C=CCn1c(=O)c2ccccc2nc1SCc1ccccc1F ZINC000003449861 564158200 /nfs/dbraw/zinc/15/82/00/564158200.db2.gz CQXNYEKHFSLOSD-UHFFFAOYSA-N 0 0 326.396 4.014 50 30 EIEARN COc1cccc2cc(C(=O)/C=C/c3ccc(Cl)cc3)c(=O)oc21 ZINC000003911116 564159661 /nfs/dbraw/zinc/15/96/61/564159661.db2.gz JKOHVABJYKZGJS-JXMROGBWSA-N 0 0 340.762 4.351 50 30 EIEARN Cc1ccc(OCc2nc(C#N)c(NCCc3ccccc3)o2)cc1 ZINC000004268568 564161434 /nfs/dbraw/zinc/16/14/34/564161434.db2.gz MDEARQGGISCSIN-UHFFFAOYSA-N 0 0 333.391 4.088 50 30 aggregator EIEARN Cc1nc(C)c(C(=O)Nc2ccccc2S[C@H](C)CC#N)s1 ZINC000066802413 564164143 /nfs/dbraw/zinc/16/41/43/564164143.db2.gz GEBPMMWJLUHANK-SNVBAGLBSA-N 0 0 331.466 4.407 50 30 EIEARN COc1cc(C#N)ccc1O[C@H](C)C(=O)c1c(C)[nH]c2ccccc21 ZINC000008428068 564165247 /nfs/dbraw/zinc/16/52/47/564165247.db2.gz FDYOYXCRYHVJDI-CYBMUJFWSA-N 0 0 334.375 4.007 50 30 EIEARN COc1ccccc1/C=C/c1nc(C#N)c(N2C[C@@H](C)C[C@H](C)C2)o1 ZINC000008535501 564165613 /nfs/dbraw/zinc/16/56/13/564165613.db2.gz GKEPKXMMECDKKN-JJGIJDNGSA-N 0 0 337.423 4.208 50 30 EIEARN C=CCN(CC=C)Cc1c(C)[nH]c2c(OC)ccc(Cl)c2c1=O ZINC000008717390 564166834 /nfs/dbraw/zinc/16/68/34/564166834.db2.gz KFXYFCJJZPFELM-UHFFFAOYSA-N 0 0 332.831 4.085 50 30 EIEARN CC(=O)Nc1sc(N=NCc2ccccc2)nc1-c1cccs1 ZINC000009065383 564168759 /nfs/dbraw/zinc/16/87/59/564168759.db2.gz TWVZIGRMMWBHBP-LICLKQGHSA-N 0 0 342.449 4.276 50 30 EIEARN CC(C)N(Cc1nnc(-c2ccccc2)o1)Cc1ccccc1C#N ZINC000040473952 564169758 /nfs/dbraw/zinc/16/97/58/564169758.db2.gz WSPZZJTXVAYIBP-UHFFFAOYSA-N 0 0 332.407 4.019 50 30 EIEARN N#CC1CCN(C(=O)Nc2ccccc2OCCc2ccccc2)CC1 ZINC000069530926 564170250 /nfs/dbraw/zinc/17/02/50/564170250.db2.gz PXXCZDWMKXTWBB-UHFFFAOYSA-N 0 0 349.434 4.076 50 30 EIEARN Cc1sc(-c2ccco2)nc1C(=O)N(CC#N)c1cccc(F)c1 ZINC000069774537 564172099 /nfs/dbraw/zinc/17/20/99/564172099.db2.gz OGWWMWCICDZTBG-UHFFFAOYSA-N 0 0 341.367 4.021 50 30 EIEARN N#Cc1ccc(-c2ccccn2)nc1SCCOc1ccccc1 ZINC000009303970 564172414 /nfs/dbraw/zinc/17/24/14/564172414.db2.gz XLQJNGSXVWWBOB-UHFFFAOYSA-N 0 0 333.416 4.186 50 30 EIEARN Cc1cc2occ(CC(=O)OCCOc3ccc(C#N)cc3)c2cc1C ZINC000009436604 564173704 /nfs/dbraw/zinc/17/37/04/564173704.db2.gz HNCCMBGHCUJZFU-UHFFFAOYSA-N 0 0 349.386 4.086 50 30 EIEARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C#N ZINC000000357625 568422638 /nfs/dbraw/zinc/42/26/38/568422638.db2.gz ODFAWACEDNDXSE-JTQLQIEISA-N 0 0 335.190 4.271 50 30 EIEARN COc1ccc(/C=C2\CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000023608967 1022429405 /nfs/dbraw/zinc/42/94/05/1022429405.db2.gz DBSJMESCDIMEHE-MAEUFBSDSA-N 0 0 335.359 4.433 50 30 EIEARN O=C(O/N=C\c1ccc(Br)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000004963524 1025089274 /nfs/dbraw/zinc/08/92/74/1025089274.db2.gz BWIBJURRTJGCLL-ZYTDBRAZSA-N 0 0 344.208 4.130 50 30 EIEARN N#Cc1cc2c(nc1NC(=O)c1cc3c(s1)CCCC3)CCCC2 ZINC000121893406 1027192972 /nfs/dbraw/zinc/19/29/72/1027192972.db2.gz RUTFSNQFYDNXOY-UHFFFAOYSA-N 0 0 337.448 4.025 50 30 EIEARN CC[C@@H]1CS/C(=N\CCOC)N1Cc1ccc(Cl)cc1Cl ZINC000013148126 1031492458 /nfs/dbraw/zinc/49/24/58/1031492458.db2.gz RNOBYNFNPHVJFC-ZLMULJHYSA-N 0 0 347.311 4.323 50 30 EIEARN Cc1ncsc1C(C)N=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000254844065 1034452910 /nfs/dbraw/zinc/45/29/10/1034452910.db2.gz STZFHAKVXSIYNW-UHFFFAOYSA-N 0 0 344.318 4.215 50 30 EIEARN CC(C)n1cc(C(=O)/C=C/c2csc(Br)c2)cn1 ZINC000058465294 1037787732 /nfs/dbraw/zinc/78/77/32/1037787732.db2.gz MORDZNSDKCLEJE-ONEGZZNKSA-N 0 0 325.231 4.184 50 30 EIEARN C=CCN=c1scc(-c2ccc(C)c(C)c2)n1N=Cc1cccnc1 ZINC000254572255 1038396823 /nfs/dbraw/zinc/39/68/23/1038396823.db2.gz NHCALOKRJUWLMS-UHFFFAOYSA-N 0 0 348.475 4.197 50 30 EIEARN O=C1C(=C\c2ccccc2)/C(=N\Cc2ccccc2)N=C2SC=CN21 ZINC000016699451 1039201281 /nfs/dbraw/zinc/20/12/81/1039201281.db2.gz UZEIGAUXUPRTML-DXBARXSWSA-N 0 0 345.427 4.085 50 30 EIEARN Cc1cc(=O)[nH]c(NN=Cc2c3ccccc3cc3ccccc32)n1 ZINC000606346880 1043067217 /nfs/dbraw/zinc/06/72/17/1043067217.db2.gz SCNOQKKVMLAVAZ-UHFFFAOYSA-N 0 0 328.375 4.243 50 30 EIEARN C#CCCC1(CCC(=O)Nc2ccc3c(c2)CCC(C)(C)O3)N=N1 ZINC000952880424 1049679290 /nfs/dbraw/zinc/67/92/90/1049679290.db2.gz GGGPTRHCOCGTKL-UHFFFAOYSA-N 0 0 325.412 4.084 50 30 EIEARN C=CCc1cc(C(=O)N(C)[C@@H](C)c2nc(C)sc2C)ccc1OC ZINC000952961336 1049680756 /nfs/dbraw/zinc/68/07/56/1049680756.db2.gz CMMQFUMBCTYYEN-LBPRGKRZSA-N 0 0 344.480 4.330 50 30 EIEARN C#CCCC1(CCC(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)N=N1 ZINC000952882258 1049681163 /nfs/dbraw/zinc/68/11/63/1049681163.db2.gz SVAXIYJNOBSWRC-NRFANRHFSA-N 0 0 349.478 4.239 50 30 EIEARN C#CCCC1(CCC(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)N=N1 ZINC000952883148 1049681269 /nfs/dbraw/zinc/68/12/69/1049681269.db2.gz WZEGXRGFFOCCNB-OAHLLOKOSA-N 0 0 345.393 4.027 50 30 EIEARN COc1ccc(C(=O)/C=C\c2ccc(Br)cc2)c(F)c1 ZINC000033608568 1052585771 /nfs/dbraw/zinc/58/57/71/1052585771.db2.gz JSGYPNRAGORZLY-WTKPLQERSA-N 0 0 335.172 4.493 50 30 EIEARN Cc1cccc2[nH]cc(C3=NN(C)/C(=N\Cc4ccccc4)SC3)c21 ZINC000063629623 1052838484 /nfs/dbraw/zinc/83/84/84/1052838484.db2.gz LYQOEDCRGGGLNQ-LSDHQDQOSA-N 0 0 348.475 4.415 50 30 EIEARN CC(=O)C1=C(Nc2ccc(Cl)cc2)c2cccc([N+](=O)[O-])c2C1=O ZINC000050278532 214052192 /nfs/dbraw/zinc/05/21/92/214052192.db2.gz UZTCONURPMOSRW-KNTRCKAVSA-N 0 0 342.738 4.241 50 30 EIEARN O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000050580150 214059196 /nfs/dbraw/zinc/05/91/96/214059196.db2.gz YAUOOIDNFDMEBN-UTCJRWHESA-N 0 0 333.174 4.059 50 30 EIEARN C[C@@H](Nc1cccc(F)c1C#N)c1ccc(NC(=O)NC2CC2)cc1 ZINC000052313809 214125316 /nfs/dbraw/zinc/12/53/16/214125316.db2.gz SAJRCRAKLOUKSL-GFCCVEGCSA-N 0 0 338.386 4.154 50 30 EIEARN C=CCC1(CC=C)CCCN1C(=O)c1cccc(NC(=O)CC)c1 ZINC000055211251 214288678 /nfs/dbraw/zinc/28/86/78/214288678.db2.gz NTAMRNUOXFPNNR-UHFFFAOYSA-N 0 0 326.440 4.162 50 30 EIEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(N)c2C#N)cc1 ZINC000004663704 210241367 /nfs/dbraw/zinc/24/13/67/210241367.db2.gz ZQIKIGUYKYNSNE-UHFFFAOYSA-N 0 0 325.371 4.355 50 30 EIEARN CCOC(=O)c1ccc(NC2=CC(=O)C[C@H](c3ccccc3)C2)cc1 ZINC000004607858 210230498 /nfs/dbraw/zinc/23/04/98/210230498.db2.gz UROUCYTZESGLLI-QGZVFWFLSA-N 0 0 335.403 4.306 50 30 EIEARN COc1ccc(C(=O)/C=C/c2ccc(Br)cc2)c(OC)c1 ZINC000004578167 210224494 /nfs/dbraw/zinc/22/44/94/210224494.db2.gz RHSRQYCAZGZMBY-BJMVGYQFSA-N 0 0 347.208 4.362 50 30 EIEARN CC1(C)Cc2nnc(-c3ccc(Br)cc3)cc2/C(=N\O)C1 ZINC000100098411 219091132 /nfs/dbraw/zinc/09/11/32/219091132.db2.gz CRMVHQRGFBTZLL-HKWRFOASSA-N 0 0 346.228 4.057 50 30 EIEARN Cc1cccc(NN=C2C=NN=C2c2ccc(Br)cc2)c1 ZINC000100146683 219092228 /nfs/dbraw/zinc/09/22/28/219092228.db2.gz WQGWQTOLYUFLJO-HMMYKYKNSA-N 0 0 341.212 4.014 50 30 EIEARN O=C1CC(c2ccccc2)CC(=O)C1=CNCc1ccccc1Cl ZINC000100522941 219100980 /nfs/dbraw/zinc/10/09/80/219100980.db2.gz KCEHUOWQQQLHLA-UHFFFAOYSA-N 0 0 339.822 4.029 50 30 EIEARN Fc1c(F)c(F)c(C=NN=c2[nH]c3ccccc3s2)c(F)c1F ZINC000004478071 210198780 /nfs/dbraw/zinc/19/87/80/210198780.db2.gz HRWCXLRPUGFJQQ-DENHBWNVSA-N 0 0 343.280 4.438 50 30 EIEARN Cc1cc(C)c(C#N)c(SCC(=O)C23CC4CC(CC(C4)C2)C3)n1 ZINC000004450302 210193977 /nfs/dbraw/zinc/19/39/77/210193977.db2.gz CFNQWVDQAXZYHD-UHFFFAOYSA-N 0 0 340.492 4.448 50 30 EIEARN O=C(C(=CNc1cccc(Cl)c1)C(=O)C(F)(F)F)c1ccco1 ZINC000100862339 219109449 /nfs/dbraw/zinc/10/94/49/219109449.db2.gz NBQZCMUBNFCQLK-FLIBITNWSA-N 0 0 343.688 4.243 50 30 EIEARN C=CCSc1nc2n(n1)[C@@H](c1ccccc1)C1C(=O)CCCC1=N2 ZINC000101324194 219122383 /nfs/dbraw/zinc/12/23/83/219122383.db2.gz WVCHGJUNCLWDAD-INIZCTEOSA-N 0 0 338.436 4.228 50 30 EIEARN CCc1ccc(C(=O)Cc2nc3cc(Cl)ccc3oc2=O)cc1 ZINC000101356173 219124527 /nfs/dbraw/zinc/12/45/27/219124527.db2.gz GJRYWECJQUMTPK-XNTDXEJSSA-N 0 0 327.767 4.000 50 30 EIEARN CCCCCCCCN1C(=O)c2[nH]nc(C)c2[C@H]1c1ccc(O)cc1 ZINC000101474135 219128094 /nfs/dbraw/zinc/12/80/94/219128094.db2.gz VCVKHYZTYGCUFI-LJQANCHMSA-N 0 0 341.455 4.329 50 30 EIEARN O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)c1ccc([N+](=O)[O-])cc1 ZINC000048331863 213922274 /nfs/dbraw/zinc/92/22/74/213922274.db2.gz KIBMJYHIUWZWTK-LREOWRDNSA-N 0 0 341.750 4.463 50 30 EIEARN CC(Nc1ccc2c(c1)oc1ccccc12)=C1C(=O)C=C(C)OC1=O ZINC000101638268 219149033 /nfs/dbraw/zinc/14/90/33/219149033.db2.gz XWPOVMWLASPTLE-XDHOZWIPSA-N 0 0 333.343 4.302 50 30 EIEARN Cn1c2ccccc2c(C#N)c1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004183380 210141112 /nfs/dbraw/zinc/14/11/12/210141112.db2.gz RFJHIODQCHUSBT-UHFFFAOYSA-N 0 0 340.770 4.224 50 30 EIEARN CCCCC(=C1C(=O)CC(c2ccccc2)CC1=O)N1CCCC1 ZINC000004181049 210140315 /nfs/dbraw/zinc/14/03/15/210140315.db2.gz QQLALJORERRZPM-UHFFFAOYSA-N 0 0 325.452 4.242 50 30 EIEARN Cc1cccc(OCc2nc(C#N)c(NCCc3ccccc3)o2)c1 ZINC000004168482 210139027 /nfs/dbraw/zinc/13/90/27/210139027.db2.gz CQMHGKPPFKWJSC-UHFFFAOYSA-N 0 0 333.391 4.088 50 30 EIEARN Cc1nc2ccccc2nc1N=NCc1ccc(Br)cc1 ZINC000004085218 210116211 /nfs/dbraw/zinc/11/62/11/210116211.db2.gz FSSAILMYUGHFFB-VCHYOVAHSA-N 0 0 341.212 4.147 50 30 EIEARN N#Cc1c2nc(C3CCCCC3)nn2ccc1-c1ccc2c(c1)OCO2 ZINC000004050944 210109364 /nfs/dbraw/zinc/10/93/64/210109364.db2.gz IVNXISBRTKWUFC-UHFFFAOYSA-N 0 0 346.390 4.044 50 30 EIEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000004033525 210104754 /nfs/dbraw/zinc/10/47/54/210104754.db2.gz HGBZWKXDWCLHIN-QGZVFWFLSA-N 0 0 345.446 4.360 50 30 EIEARN C=CCCCCCCCCCCC[C@H](O)C[C@H](O)COC(C)=O ZINC000003979036 210096806 /nfs/dbraw/zinc/09/68/06/210096806.db2.gz NLBYRERHXBTBBR-OALUTQOASA-N 0 0 328.493 4.139 50 30 endogenous,in-man EIEARN COCc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000066159224 215017927 /nfs/dbraw/zinc/01/79/27/215017927.db2.gz PXSLDKPFHHRIFB-UHFFFAOYSA-N 0 0 337.423 4.147 50 30 EIEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1Cn1cccn1 ZINC000003895452 210086944 /nfs/dbraw/zinc/08/69/44/210086944.db2.gz RAPZOHZHGLVFMN-QGOAFFKASA-N 0 0 344.414 4.153 50 30 EIEARN C#CCSc1nc2ccccc2n1C(=O)/C=C/c1ccc(F)cc1 ZINC000003876889 210081529 /nfs/dbraw/zinc/08/15/29/210081529.db2.gz OTHDNBFTXVTLSF-FMIVXFBMSA-N 0 0 336.391 4.254 50 30 EIEARN CCOc1ccccc1C/N=C/c1cc(Br)ccc1O ZINC000044835634 213649253 /nfs/dbraw/zinc/64/92/53/213649253.db2.gz BMCWPKKQWXEVJE-WOJGMQOQSA-N 0 0 334.213 4.173 50 30 EIEARN N#Cc1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000003369125 210019845 /nfs/dbraw/zinc/01/98/45/210019845.db2.gz DSVHHHZXCFGKCN-UHFFFAOYSA-N 0 0 328.371 4.390 50 30 EIEARN CCCCCCCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000102819200 219232557 /nfs/dbraw/zinc/23/25/57/219232557.db2.gz BYOYZVBNEOMUSD-UHFFFAOYSA-N 0 0 336.388 4.055 50 30 EIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000103087389 219254163 /nfs/dbraw/zinc/25/41/63/219254163.db2.gz PTEOTLMOIZESGP-LFVOPCPISA-N 0 0 349.430 4.217 50 30 EIEARN C=CCNC(=O)c1ccccc1NC(=O)c1cccc2ccccc21 ZINC000002812258 209920758 /nfs/dbraw/zinc/92/07/58/209920758.db2.gz QUDWGOOVUDLRRA-UHFFFAOYSA-N 0 0 330.387 4.008 50 30 EIEARN N#Cc1ccnc(Oc2cc(F)c(CN3CCCC3)c(Cl)c2)c1 ZINC000067983443 215268020 /nfs/dbraw/zinc/26/80/20/215268020.db2.gz BXYFRJBDVUHHKO-UHFFFAOYSA-N 0 0 331.778 4.134 50 30 EIEARN CCc1c(C)sc(NC(=O)/C=C/c2ccc(OC)cc2)c1C#N ZINC000002749696 209901660 /nfs/dbraw/zinc/90/16/60/209901660.db2.gz UGTBFKBVRLQZMD-JXMROGBWSA-N 0 0 326.421 4.151 50 30 EIEARN C=CCn1c(=O)c2c(-c3ccco3)csc2nc1SC(F)F ZINC000002655697 209886065 /nfs/dbraw/zinc/88/60/65/209886065.db2.gz ATPSNASWFUFSMT-UHFFFAOYSA-N 0 0 340.376 4.219 50 30 EIEARN O=C(C=C(Nc1ccccn1)C(=O)c1ccccc1)c1ccccc1 ZINC000103640171 219318342 /nfs/dbraw/zinc/31/83/42/219318342.db2.gz PJNLKGLYAGLKLJ-OBGWFSINSA-N 0 0 328.371 4.143 50 30 EIEARN Cc1ccc(C(=O)/C=C/N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000002573060 209870181 /nfs/dbraw/zinc/87/01/81/209870181.db2.gz ROAPZGZIUXQRKN-ZHACJKMWSA-N 0 0 340.854 4.167 50 30 EIEARN CC(C)(C)OC(=O)NCC#Cc1ccc(OCc2ccccc2)cc1 ZINC000068593262 215321781 /nfs/dbraw/zinc/32/17/81/215321781.db2.gz VHAFZILPUKCUOL-UHFFFAOYSA-N 0 0 337.419 4.142 50 30 EIEARN CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C#N)cc1 ZINC000068774923 215332680 /nfs/dbraw/zinc/33/26/80/215332680.db2.gz BGNKUHKIXBWPFA-UHFFFAOYSA-N 0 0 337.379 4.158 50 30 EIEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CCCO3)sc2C1 ZINC000001516939 209755922 /nfs/dbraw/zinc/75/59/22/209755922.db2.gz TWPGHZAHELCUPH-DOMZBBRYSA-N 0 0 346.496 4.278 50 30 EIEARN Cc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000001288519 209722474 /nfs/dbraw/zinc/72/24/74/209722474.db2.gz QMEZVSBIPYINKF-VCHYOVAHSA-N 0 0 328.828 4.078 50 30 EIEARN CC(C=NN1C(=S)N=NC1c1ccc(C)cc1)=Cc1ccccc1 ZINC000001260439 209721577 /nfs/dbraw/zinc/72/15/77/209721577.db2.gz LQWBJPNUIFMSCU-HIBZGYDWSA-N 0 0 334.448 4.480 50 30 EIEARN Cc1cc(NC(=O)c2cccc(C#N)c2)nn1-c1ccc(C(C)C)cc1 ZINC000034909474 212997589 /nfs/dbraw/zinc/99/75/89/212997589.db2.gz ZRRIWFFMPJGOBI-UHFFFAOYSA-N 0 0 344.418 4.428 50 30 EIEARN CC(=O)Nc1cccc(-c2cc(-c3sccc3C)c(C#N)c(N)n2)c1 ZINC000071757197 215813466 /nfs/dbraw/zinc/81/34/66/215813466.db2.gz MCBQGYZYAKNQIB-UHFFFAOYSA-N 0 0 348.431 4.198 50 30 EIEARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccc(C#N)cc1 ZINC000072277191 216103733 /nfs/dbraw/zinc/10/37/33/216103733.db2.gz CQHLIKHSVVFTQR-LEWJYISDSA-N 0 0 348.446 4.122 50 30 EIEARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccc(C#N)cc1 ZINC000072277192 216104020 /nfs/dbraw/zinc/10/40/20/216104020.db2.gz CQHLIKHSVVFTQR-NHCUHLMSSA-N 0 0 348.446 4.122 50 30 EIEARN CC(C)c1csc([C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)n1 ZINC000072297226 216135068 /nfs/dbraw/zinc/13/50/68/216135068.db2.gz YYTAAEXXIONIJC-INIZCTEOSA-N 0 0 339.464 4.158 50 30 EIEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)CC3)cc1 ZINC000000169014 209461646 /nfs/dbraw/zinc/46/16/46/209461646.db2.gz HPPXAOAYJFQKKK-LLVKDONJSA-N 0 0 326.421 4.005 50 30 EIEARN CC[C@H](C)Oc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OC ZINC000000092163 209414825 /nfs/dbraw/zinc/41/48/25/209414825.db2.gz VISAXFSFKOPNLD-ZDUSSCGKSA-N 0 0 336.387 4.335 50 30 EIEARN C/C(CCc1oc2ccccc2c1-c1ccc(C)o1)=N\NC(N)=S ZINC000000089029 209412660 /nfs/dbraw/zinc/41/26/60/209412660.db2.gz QIZFGTBDLZVEGQ-RGVLZGJSSA-N 0 0 341.436 4.143 50 30 EIEARN Cc1ccc(/C=C/C(=O)Nc2cccc(C#Cc3ccccn3)c2)o1 ZINC000023881565 212397648 /nfs/dbraw/zinc/39/76/48/212397648.db2.gz MMUOIHFTXXHMOH-OUKQBFOZSA-N 0 0 328.371 4.035 50 30 EIEARN C=CCN(C)C(=O)c1cncn1-c1ccc(-c2cc(C)cc(C)c2)cc1 ZINC000022664719 212315734 /nfs/dbraw/zinc/31/57/34/212315734.db2.gz SHQHRTOEZQCZNS-UHFFFAOYSA-N 0 0 345.446 4.414 50 30 EIEARN N#Cc1ccccc1S(=O)(=O)Oc1ccc2oc3ccccc3c2c1 ZINC000022453532 212298521 /nfs/dbraw/zinc/29/85/21/212298521.db2.gz DVVZUNQWHQRCTK-UHFFFAOYSA-N 0 0 349.367 4.225 50 30 EIEARN CCOc1cc(-c2ccc(OCC#N)cc2)cc(=O)c2c(C)oc(C)c21 ZINC000021149277 212212592 /nfs/dbraw/zinc/21/25/92/212212592.db2.gz FSXOBVMQVVYNPR-UHFFFAOYSA-N 0 0 349.386 4.378 50 30 EIEARN C=C(C)Cn1c(=O)c2c([nH]c1=S)-c1ccccc1C[C@]2(C)CC ZINC000020894522 212183250 /nfs/dbraw/zinc/18/32/50/212183250.db2.gz HDZHPKHQORSVBR-IBGZPJMESA-N 0 0 326.465 4.373 50 30 EIEARN C=CCn1c(=S)n(CN2CCCCCC2)nc1-c1ccccc1 ZINC000020161219 212108402 /nfs/dbraw/zinc/10/84/02/212108402.db2.gz HWQCJEAWFLFNLI-UHFFFAOYSA-N 0 0 328.485 4.101 50 30 EIEARN Clc1ccc(CN2CCN(/N=C/c3ccccc3Cl)CC2)cc1 ZINC000019879397 212078220 /nfs/dbraw/zinc/07/82/20/212078220.db2.gz RLBNMZRGIPWWGZ-FYJGNVAPSA-N 0 0 348.277 4.145 50 30 EIEARN Cc1sc(-c2c(C#N)c(N)nc3c2CCCC3)cc1Br ZINC000019757433 212062499 /nfs/dbraw/zinc/06/24/99/212062499.db2.gz FUJWAEFBPHGTOA-UHFFFAOYSA-N 0 0 348.269 4.214 50 30 EIEARN N#Cc1c(N)nc2c(c1-c1ccc(Br)cc1)CCCCC2 ZINC000019536842 212039476 /nfs/dbraw/zinc/03/94/76/212039476.db2.gz QDWGFMVJJGTTEN-UHFFFAOYSA-N 0 0 342.240 4.234 50 30 EIEARN C=CCSc1nnc(NC(=O)c2ccc(OCC(C)C)cc2)s1 ZINC000016008368 211875102 /nfs/dbraw/zinc/87/51/02/211875102.db2.gz RBCGPZYVYIWWSK-UHFFFAOYSA-N 0 0 349.481 4.103 50 30 EIEARN COc1cccc(C(=O)C=CNc2ccc(Br)cc2)c1 ZINC000015133860 211804311 /nfs/dbraw/zinc/80/43/11/211804311.db2.gz XQBAECPOIJHZQA-KTKRTIGZSA-N 0 0 332.197 4.266 50 30 EIEARN Cc1ccc(C)c(-c2csc(NC(=O)[C@@H]3CCCO3)c2C#N)c1 ZINC000013328632 211546979 /nfs/dbraw/zinc/54/69/79/211546979.db2.gz TUEGMIKAIGULJQ-INIZCTEOSA-N 0 0 326.421 4.021 50 30 EIEARN COc1ccc(C(=O)/C=C/c2ccc(OC)c(Br)c2)cc1 ZINC000013135206 211526742 /nfs/dbraw/zinc/52/67/42/211526742.db2.gz KNXMWXDQYUJBJW-YCRREMRBSA-N 0 0 347.208 4.362 50 30 EIEARN N#Cc1ccc(NCc2ccc(-c3nc4ccccc4s3)o2)nc1 ZINC000012777918 211453374 /nfs/dbraw/zinc/45/33/74/211453374.db2.gz XJRDFLGLCXSUFL-UHFFFAOYSA-N 0 0 332.388 4.435 50 30 EIEARN Cc1cc(/C=N\CCCO)c(C)n1-c1cc(Cl)ccc1Cl ZINC000012512465 211395563 /nfs/dbraw/zinc/39/55/63/211395563.db2.gz LPSMAXIPLZWUQQ-GRSHGNNSSA-N 0 0 325.239 4.202 50 30 EIEARN COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccccc1 ZINC000012406418 211370040 /nfs/dbraw/zinc/37/00/40/211370040.db2.gz PKSQFYHRKDWFNZ-OFLRGPKASA-N 0 0 334.419 4.448 50 30 EIEARN Cc1ccc(C=CC(=O)C2=CN(C)C(=O)N[C@H]2c2ccc(C)cc2)cc1 ZINC000012390580 211366033 /nfs/dbraw/zinc/36/60/33/211366033.db2.gz VIVPOAWWWGVMFO-BGVYSJOJSA-N 0 0 346.430 4.166 50 30 EIEARN C=CCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S ZINC000012343650 211352178 /nfs/dbraw/zinc/35/21/78/211352178.db2.gz KKCZWDOYIVIUTL-YRNVUSSQSA-N 0 0 330.261 4.381 50 30 EIEARN C=CCC(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000011997644 211278434 /nfs/dbraw/zinc/27/84/34/211278434.db2.gz NHIPRRLWXYOAPU-AWEZNQCLSA-N 0 0 325.374 4.453 50 30 EIEARN COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc(C#N)cc2F)c1 ZINC000011436503 211216340 /nfs/dbraw/zinc/21/63/40/211216340.db2.gz ZCKYGTOIKMQORW-IBGZPJMESA-N 0 0 340.398 4.052 50 30 EIEARN N#Cc1cccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c1 ZINC000010950500 211195793 /nfs/dbraw/zinc/19/57/93/211195793.db2.gz GXZPOAUGJGJXKG-NRFANRHFSA-N 0 0 339.398 4.325 50 30 EIEARN N#Cc1ccc2nc(N[C@@H](CO)c3ccc(Cl)c(F)c3)ccc2c1 ZINC000092941396 218181499 /nfs/dbraw/zinc/18/14/99/218181499.db2.gz DFCKSTUITKHZCB-KRWDZBQOSA-N 0 0 341.773 4.044 50 30 EIEARN N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(F)cc1 ZINC000010214145 211153770 /nfs/dbraw/zinc/15/37/70/211153770.db2.gz YAVIFWXFHXFGQC-UHFFFAOYSA-N 0 0 330.362 4.294 50 30 EIEARN C=CCn1c(SCC#N)nnc1-c1cc2c(s1)CC[C@@H](CC)C2 ZINC000009944538 211134390 /nfs/dbraw/zinc/13/43/90/211134390.db2.gz UTQOKFYHBAYPHX-GFCCVEGCSA-N 0 0 344.509 4.323 50 30 EIEARN COc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1 ZINC000008683703 210978988 /nfs/dbraw/zinc/97/89/88/210978988.db2.gz USHGHTOQCIQMRQ-UHFFFAOYSA-N 0 0 325.437 4.117 50 30 EIEARN CC(=O)Nc1ccc(/C=C2/CSc3ccc(F)cc3C2=O)cc1 ZINC000096399829 218749087 /nfs/dbraw/zinc/74/90/87/218749087.db2.gz NOGOBPKVNQYXRZ-JYRVWZFOSA-N 0 0 327.380 4.156 50 30 EIEARN Cc1nc(-c2ccccc2F)sc1C(=O)/C=C\c1csnn1 ZINC000096403898 218753108 /nfs/dbraw/zinc/75/31/08/218753108.db2.gz KVXLZXBLNSASHB-SREVYHEPSA-N 0 0 331.397 4.005 50 30 EIEARN N#Cc1cccc(/C=C\C(=O)c2ccc(F)c(Br)c2)c1 ZINC000096939823 218903560 /nfs/dbraw/zinc/90/35/60/218903560.db2.gz CABLFXIMILZBIJ-DAXSKMNVSA-N 0 0 330.156 4.356 50 30 EIEARN CN(C)c1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000005125327 210394984 /nfs/dbraw/zinc/39/49/84/210394984.db2.gz QNEOGHCWUNGKHP-POHAHGRESA-N 0 0 330.771 4.210 50 30 EIEARN CCOC(=O)c1sc(N)c(C#N)c1CSc1ccc(C)cc1C ZINC000005020027 210363662 /nfs/dbraw/zinc/36/36/62/210363662.db2.gz GNQAISAMXJLZAK-UHFFFAOYSA-N 0 0 346.477 4.288 50 30 EIEARN Brc1ccc(C=NNc2ccc3ccccc3n2)cc1 ZINC000004981921 210347663 /nfs/dbraw/zinc/34/76/63/210347663.db2.gz DXWAHLXNODMICP-WOJGMQOQSA-N 0 0 326.197 4.443 50 30 EIEARN COc1ccc(C(=O)C=CNc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000004997021 210354570 /nfs/dbraw/zinc/35/45/70/210354570.db2.gz KHMPJLYWFQYOIM-CMDGGOBGSA-N 0 0 332.743 4.065 50 30 EIEARN CC(C)(C)c1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004912537 210320400 /nfs/dbraw/zinc/32/04/00/210320400.db2.gz ZHJBFWVOLUHRAZ-HNNXBMFYSA-N 0 0 325.452 4.231 50 30 EIEARN COc1ccc(Nc2oc(/C=C/c3ccccc3OC)nc2C#N)cc1 ZINC000004839315 210294792 /nfs/dbraw/zinc/29/47/92/210294792.db2.gz STYBDEZEAHYSNF-KPKJPENVSA-N 0 0 347.374 4.477 50 30 aggregator EIEARN Cc1cc(Br)ccc1NC(=O)c1ccc(C#N)cc1F ZINC000004838738 210293825 /nfs/dbraw/zinc/29/38/25/210293825.db2.gz UFHPITFYOCDLGC-UHFFFAOYSA-N 0 0 333.160 4.021 50 30 EIEARN O=C(/C=C/c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000004832376 210291112 /nfs/dbraw/zinc/29/11/12/210291112.db2.gz RLARMHBSPPBZRL-GQCTYLIASA-N 0 0 345.192 4.116 50 30 EIEARN N#Cc1ccc(/C=C\c2nn(-c3ccccc3)c3c2ccccc3=O)cc1 ZINC000097474708 219026866 /nfs/dbraw/zinc/02/68/66/219026866.db2.gz UZMFIMRVPCYELQ-PFONDFGASA-N 0 0 349.393 4.428 50 30 EIEARN COc1cc(/C=C\C(=O)c2ccc(SC)cc2)cc(OC)c1OC ZINC000097475311 219027978 /nfs/dbraw/zinc/02/79/78/219027978.db2.gz RYNQDMYNQOFGJT-YHYXMXQVSA-N 0 0 344.432 4.330 50 30 EIEARN CCCC[C@@H](C)C(=O)Nc1ccc(CS(C)(=O)=O)c(Cl)c1 ZINC000330032073 258003078 /nfs/dbraw/zinc/00/30/78/258003078.db2.gz HVHMRHALELYDCL-LLVKDONJSA-N 0 0 331.865 4.299 50 30 EIEARN Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)c1 ZINC000009184030 258003179 /nfs/dbraw/zinc/00/31/79/258003179.db2.gz WYEPUNMRXZIQKU-ODLFYWEKSA-N 0 0 346.338 4.423 50 30 EIEARN C=CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)c1 ZINC000008499661 258017763 /nfs/dbraw/zinc/01/77/63/258017763.db2.gz ANVYPHNHSRLCMW-MRXNPFEDSA-N 0 0 325.408 4.274 50 30 EIEARN C=CCn1c(C)cc(C(=O)CSc2nnc(C3CCCC3)[nH]2)c1C ZINC000008756787 258018189 /nfs/dbraw/zinc/01/81/89/258018189.db2.gz NGVQVZHIDHKOHM-UHFFFAOYSA-N 0 0 344.484 4.042 50 30 EIEARN C=CCn1c2ccccc2nc1SCC(=O)NCC1CCCCC1 ZINC000012046075 258018261 /nfs/dbraw/zinc/01/82/61/258018261.db2.gz ZRMMRQGUMDSNKI-UHFFFAOYSA-N 0 0 343.496 4.011 50 30 EIEARN O=C1c2ccccc2S(=O)(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000017118571 258056804 /nfs/dbraw/zinc/05/68/04/258056804.db2.gz LKDNMMPSVCPPEF-VGOFMYFVSA-N 0 0 339.199 4.005 50 30 EIEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccs1 ZINC000019923593 258057186 /nfs/dbraw/zinc/05/71/86/258057186.db2.gz KWDXZUJEOXFFEH-BBRMVZONSA-N 0 0 335.469 4.249 50 30 EIEARN COC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000253498633 258073449 /nfs/dbraw/zinc/07/34/49/258073449.db2.gz XWFWMYFLNHTEBF-VQBCACJISA-N 0 0 330.468 4.308 50 30 EIEARN C#CCn1c2ccccc2nc1SCCOc1cccc(C)c1C ZINC000020897493 518345475 /nfs/dbraw/zinc/34/54/75/518345475.db2.gz UFZRZYCNDGOYAG-UHFFFAOYSA-N 0 0 336.460 4.457 50 30 EIEARN c1csc(CN=Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 ZINC000004394997 518375752 /nfs/dbraw/zinc/37/57/52/518375752.db2.gz TUOYZZFEIVXLFF-RQZCQDPDSA-N 0 0 343.433 4.089 50 30 EIEARN CC(N=Nc1nnc(Nc2ccccc2Cl)s1)c1ccccn1 ZINC000004105286 518455323 /nfs/dbraw/zinc/45/53/23/518455323.db2.gz LFQYVEKIPOWWHT-GRSHGNNSSA-N 0 0 344.831 4.166 50 30 EIEARN C=CCC[C@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104215 518725860 /nfs/dbraw/zinc/72/58/60/518725860.db2.gz AKGYGGACYBPOCX-IBGZPJMESA-N 0 0 349.396 4.433 50 30 EIEARN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(OC)ccc1C ZINC000089646713 518784953 /nfs/dbraw/zinc/78/49/53/518784953.db2.gz LTKDLHGKXJVBMU-UHFFFAOYSA-N 0 0 335.407 4.095 50 30 EIEARN C=CCc1ccc(OCCCCOc2cccc(C=O)c2)c(OC)c1 ZINC000002985017 519135624 /nfs/dbraw/zinc/13/56/24/519135624.db2.gz VDDWVCARAJCQOA-UHFFFAOYSA-N 0 0 340.419 4.474 50 30 EIEARN C=CCc1ccccc1OCCCOc1c(OC)cccc1OC ZINC000002984191 519142602 /nfs/dbraw/zinc/14/26/02/519142602.db2.gz RTIYPZDTMHVILY-UHFFFAOYSA-N 0 0 328.408 4.280 50 30 EIEARN C=CCn1c(SCC(=O)c2cccs2)nnc1-c1ccccc1 ZINC000003485345 519233595 /nfs/dbraw/zinc/23/35/95/519233595.db2.gz UNLQTURMJBNHHO-UHFFFAOYSA-N 0 0 341.461 4.168 50 30 EIEARN C=C[C@@H](CCN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000004154881 519293533 /nfs/dbraw/zinc/29/35/33/519293533.db2.gz RHBSKIAGHCMHAJ-FHXOWUIVSA-N 0 0 340.339 4.261 50 30 EIEARN CC(C)[C@H](CNC(=O)c1ccccc1SCC#N)c1ccccc1 ZINC000027629221 519815748 /nfs/dbraw/zinc/81/57/48/519815748.db2.gz YYGPOPJMRHYCEY-SFHVURJKSA-N 0 0 338.476 4.472 50 30 EIEARN CCCCCCCOC(=O)c1ccc(OC(=O)c2cccnc2)cc1 ZINC000002028712 520062356 /nfs/dbraw/zinc/06/23/56/520062356.db2.gz QCHYILFGPLNBNY-UHFFFAOYSA-N 0 0 341.407 4.428 50 30 biogenic EIEARN CCOc1ccc(CN=Nc2nc(C)cc(-c3ccccc3)n2)c(O)c1 ZINC000005316720 520854220 /nfs/dbraw/zinc/85/42/20/520854220.db2.gz BGPPDGQLFOPHKP-FYJGNVAPSA-N 0 0 348.406 4.002 50 30 EIEARN CCN(CC)c1ccc(C=[NH+][N-]c2nc3ccccc3s2)c(O)c1 ZINC000005023152 520882145 /nfs/dbraw/zinc/88/21/45/520882145.db2.gz RLPZKFKJEPTCLX-XDHOZWIPSA-N 0 0 340.452 4.294 50 30 EIEARN COCc1cc(C)nc(N=NCc2ccc(C(C)(C)C)cc2)c1C#N ZINC000004750801 522916518 /nfs/dbraw/zinc/91/65/18/522916518.db2.gz AENGGDBFQYBUHP-WSDLNYQXSA-N 0 0 336.439 4.152 50 30 EIEARN COc1ccc(C(=O)/C=C/c2ccc(-n3ccnc3)c(F)c2)cc1F ZINC000012749176 523538240 /nfs/dbraw/zinc/53/82/40/523538240.db2.gz PLRDTWCDTBVNHI-ZZXKWVIFSA-N 0 0 340.329 4.055 50 30 EIEARN Cc1ccc(NCc2nnc(SCC#N)n2-c2ccc(C)cc2)cc1 ZINC000002072193 525286906 /nfs/dbraw/zinc/28/69/06/525286906.db2.gz BIVXDMPCRZNTNY-UHFFFAOYSA-N 0 0 349.463 4.112 50 30 EIEARN Cc1ccc(Nc2nnc(SC[C@@H](C#N)CCC#N)s2)c(C)c1 ZINC000007033077 525328857 /nfs/dbraw/zinc/32/88/57/525328857.db2.gz DABAREYIUZAPPL-CYBMUJFWSA-N 0 0 343.481 4.434 50 30 EIEARN Cc1ccc(C2N=NC(=S)N2N=Cc2ccccc2Cl)cc1 ZINC000252429303 525854724 /nfs/dbraw/zinc/85/47/24/525854724.db2.gz ARSNTVPNZSVQCJ-UHFFFAOYSA-N 0 0 328.828 4.078 50 30 EIEARN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCS[C@H](C)[C@H]1C ZINC000240225438 525922782 /nfs/dbraw/zinc/92/27/82/525922782.db2.gz DHUHGLGMFTXGFN-MGPQQGTHSA-N 0 0 349.525 4.296 50 30 EIEARN Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)CC[C@H]1CCCO1 ZINC000328591505 525978199 /nfs/dbraw/zinc/97/81/99/525978199.db2.gz NKAPPGBYBSIHBO-UZLBHIALSA-N 0 0 340.423 4.019 50 30 EIEARN Cc1csc(Sc2ccc(NC(=O)N(C)CCC#N)c(C)c2)n1 ZINC000085580634 526398578 /nfs/dbraw/zinc/39/85/78/526398578.db2.gz SACSLUFTBYLUTA-UHFFFAOYSA-N 0 0 346.481 4.289 50 30 EIEARN N#CCCN(C(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000003382478 526450388 /nfs/dbraw/zinc/45/03/88/526450388.db2.gz SLZZQAXKRWZZRX-UHFFFAOYSA-N 0 0 349.217 4.319 50 30 EIEARN N#CCN(C(=O)CSCc1ccc(Cl)cc1)c1ccccc1 ZINC000021325779 526469211 /nfs/dbraw/zinc/46/92/11/526469211.db2.gz YYQWXMYQGJNHHP-UHFFFAOYSA-N 0 0 330.840 4.130 50 30 EIEARN N#CCc1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1 ZINC000015028925 526481627 /nfs/dbraw/zinc/48/16/27/526481627.db2.gz XFEXGRUKIDEKHC-UHFFFAOYSA-N 0 0 326.783 4.008 50 30 EIEARN Cc1ccc(O)c(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000000226268 563988895 /nfs/dbraw/zinc/98/88/95/563988895.db2.gz ZKHLMIIOKBROHC-LZYBPNLTSA-N 0 0 335.157 4.122 50 30 EIEARN CC(C(=O)Nc1ccc(F)c(F)c1F)(C(F)(F)F)C(F)(F)F ZINC000003188788 564034337 /nfs/dbraw/zinc/03/43/37/564034337.db2.gz UHGSWOFWUZUDKE-UHFFFAOYSA-N 0 0 339.157 4.173 50 30 EIEARN N#CC1(NC(=O)COc2ccc(-c3ccccc3)cc2)CCCCC1 ZINC000006082832 563238289 /nfs/dbraw/zinc/23/82/89/563238289.db2.gz DNQHFBJWRBABRD-UHFFFAOYSA-N 0 0 334.419 4.075 50 30 EIEARN C/C(=N\OCC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000000149892 563245769 /nfs/dbraw/zinc/24/57/69/563245769.db2.gz WFUCKUTYIJVOGZ-RGVLZGJSSA-N 0 0 337.206 4.373 50 30 EIEARN NC(=O)c1ccccc1/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000000297840 563274852 /nfs/dbraw/zinc/27/48/52/563274852.db2.gz VBMLEMZOJKFCKP-OEAKJJBVSA-N 0 0 330.387 4.115 50 30 EIEARN COc1ccc(NC2=CC(=O)C[C@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000000305483 563277821 /nfs/dbraw/zinc/27/78/21/563277821.db2.gz ZDFRCSXAABMXQQ-MRXNPFEDSA-N 0 0 337.419 4.455 50 30 EIEARN Clc1ccc(/C=N/N2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000000445769 563317090 /nfs/dbraw/zinc/31/70/90/563317090.db2.gz BXEDFOONJQVRBD-DEDYPNTBSA-N 0 0 334.250 4.150 50 30 EIEARN Cc1ccccc1[C@@H]1C2=C(CCCC2=O)N=C2c3ccccc3C(=O)[C@H]21 ZINC000001288721 563382418 /nfs/dbraw/zinc/38/24/18/563382418.db2.gz NFVIYIMDCUFFDP-CTNGQTDRSA-N 0 0 341.410 4.401 50 30 EIEARN N#CC[C@@H]1c2ccccc2CCN1C(=O)Nc1cccc(Cl)c1 ZINC000001391574 563385642 /nfs/dbraw/zinc/38/56/42/563385642.db2.gz HKTNJZADJOHHLM-QGZVFWFLSA-N 0 0 325.799 4.385 50 30 EIEARN C=CCOc1cccc(C(=O)Nc2ccccc2Br)c1 ZINC000002877204 563460175 /nfs/dbraw/zinc/46/01/75/563460175.db2.gz XLRPBQBQSUXUMJ-UHFFFAOYSA-N 0 0 332.197 4.266 50 30 EIEARN COc1ccc(/C=C/C(=O)c2c(C)nn3c4ccccc4n(C)c23)cc1 ZINC000004550705 563505081 /nfs/dbraw/zinc/50/50/81/563505081.db2.gz KKELRKQOQNLWBC-JLHYYAGUSA-N 0 0 345.402 4.039 50 30 EIEARN CNc1ccccc(C(=O)/C=C/c2c(Cl)cccc2Cl)c1=O ZINC000005741798 563548407 /nfs/dbraw/zinc/54/84/07/563548407.db2.gz CIVZJCNZWGTDAO-MDZDMXLPSA-N 0 0 334.202 4.291 50 30 EIEARN CC(=O)Nc1ccc(NC(C)=CC(=O)c2ccc(Cl)cc2)cc1 ZINC000006492578 563569873 /nfs/dbraw/zinc/56/98/73/563569873.db2.gz XURLLEHVAYZRTD-VAWYXSNFSA-N 0 0 328.799 4.497 50 30 EIEARN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccccc1O ZINC000006492575 563569939 /nfs/dbraw/zinc/56/99/39/563569939.db2.gz QMCPMNCVGJBAHX-ZHACJKMWSA-N 0 0 332.197 4.353 50 30 EIEARN Cc1cc(C)nc(NN=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)n1 ZINC000006556607 563571849 /nfs/dbraw/zinc/57/18/49/563571849.db2.gz AHNSFEFQBKTGEZ-UHFFFAOYSA-N 0 0 340.471 4.389 50 30 EIEARN O=[N+]([O-])c1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)cc1 ZINC000002729499 563609046 /nfs/dbraw/zinc/60/90/46/563609046.db2.gz CXYCXLKIMOMEMD-RCCKNPSSSA-N 0 0 329.359 4.466 50 30 EIEARN Cc1ccc(C(=O)C=CNc2ccn(Cc3ccccc3F)n2)cc1 ZINC000002794301 563616202 /nfs/dbraw/zinc/61/62/02/563616202.db2.gz ZLYVCFSBMNXKGE-ZRDIBKRKSA-N 0 0 335.382 4.187 50 30 EIEARN COc1ccc(C(C)N=Nc2nnc(Cl)c3ccccc23)cc1 ZINC000008657148 563634671 /nfs/dbraw/zinc/63/46/71/563634671.db2.gz XBHWJCMUKRYRCR-YBFXNURJSA-N 0 0 326.787 4.128 50 30 EIEARN CCC(=CC(=O)c1ccncc1)Nc1ccc(Br)cc1 ZINC000013119801 563688447 /nfs/dbraw/zinc/68/84/47/563688447.db2.gz TXEWYOZIGKZYNI-KAMYIIQDSA-N 0 0 331.213 4.433 50 30 EIEARN CCOc1ccc(NC2=NC(=O)SC2=Cc2ccc(O)cc2)cc1 ZINC000013648390 563707151 /nfs/dbraw/zinc/70/71/51/563707151.db2.gz MKAIUMDZTYINGG-WJDWOHSUSA-N 0 0 340.404 4.318 50 30 EIEARN CCN1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1ccc(C)cc1 ZINC000013941007 563731784 /nfs/dbraw/zinc/73/17/84/563731784.db2.gz ULDYUPSFWIVPKL-QHHAONBESA-N 0 0 338.432 4.325 50 30 EIEARN Clc1cccc(Cl)c1/C=N\N1CCN(c2ccccc2)CC1 ZINC000015685194 563790611 /nfs/dbraw/zinc/79/06/11/563790611.db2.gz BKWAWXYJIOMNMF-MOSHPQCFSA-N 0 0 334.250 4.150 50 30 EIEARN CCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1 ZINC000016741480 563822141 /nfs/dbraw/zinc/82/21/41/563822141.db2.gz ZQPGOEGMACOSHG-MRXNPFEDSA-N 0 0 341.432 4.127 50 30 EIEARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(O)=C(C=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000018038456 563847487 /nfs/dbraw/zinc/84/74/87/563847487.db2.gz ICMWWNHDUZJFDW-CCTJMHFWSA-N 0 0 332.484 4.401 50 30 in-vitro EIEARN Cc1ccccc1[C@H]1C2=C(CCCC2=O)N=C2c3ccccc3C(=O)[C@H]21 ZINC000018116449 563848888 /nfs/dbraw/zinc/84/88/88/563848888.db2.gz NFVIYIMDCUFFDP-FPOVZHCZSA-N 0 0 341.410 4.401 50 30 EIEARN Cc1csc(C(C#N)C(=O)C[C@H](c2ccccc2)C(F)(F)F)n1 ZINC000071799766 563921875 /nfs/dbraw/zinc/92/18/75/563921875.db2.gz HIFKJAAKZDZYDR-QWHCGFSZSA-N 0 0 338.354 4.364 50 30 EIEARN COc1cccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000013720249 563932288 /nfs/dbraw/zinc/93/22/88/563932288.db2.gz ROLBICQTBPVZJA-QGZVFWFLSA-N 0 0 338.407 4.192 50 30 EIEARN CCCc1nc(NC[C@@H]2CCCO2)c(C#N)c2c1CSC(C)(C)C2 ZINC000013774200 563932930 /nfs/dbraw/zinc/93/29/30/563932930.db2.gz XABKKOPSDPTBOD-ZDUSSCGKSA-N 0 0 345.512 4.065 50 30 EIEARN COc1ccc2c(c1)C(=O)/C(=C\c1ccc(Br)cc1)CO2 ZINC000058201501 563939644 /nfs/dbraw/zinc/93/96/44/563939644.db2.gz DXLWPXJOBLXBEP-WQLSENKSSA-N 0 0 345.192 4.116 50 30 EIEARN N#CCCN(Cc1ccco1)C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000058215093 563939969 /nfs/dbraw/zinc/93/99/69/563939969.db2.gz IPURLTSNZCLVJE-UHFFFAOYSA-N 0 0 347.374 4.023 50 30 EIEARN C[C@H](NC(=O)N1CCC(C#N)CC1)c1cc(F)c(Cl)cc1Cl ZINC000058217721 563940111 /nfs/dbraw/zinc/94/01/11/563940111.db2.gz LACSVIQBPSSIJX-VIFPVBQESA-N 0 0 344.217 4.139 50 30 EIEARN Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000060062647 563949524 /nfs/dbraw/zinc/94/95/24/563949524.db2.gz PBHPDJNDZKTZOJ-OUKQBFOZSA-N 0 0 327.387 4.257 50 30 EIEARN Cc1c(C(=O)N[C@@H](C#N)c2ccccc2F)cccc1-c1ccccn1 ZINC000096484641 563955404 /nfs/dbraw/zinc/95/54/04/563955404.db2.gz UKTMTDFWKSUGQY-FQEVSTJZSA-N 0 0 345.377 4.191 50 30 EIEARN COCc1ccccc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000157993568 563974461 /nfs/dbraw/zinc/97/44/61/563974461.db2.gz IVASUFANOCCEKG-HNNXBMFYSA-N 0 0 349.217 4.134 50 30 EIEARN Fc1c(F)c(F)c(OC(F)(F)[C@@H](F)C(F)(F)F)c(F)c1F ZINC000095686656 563977609 /nfs/dbraw/zinc/97/76/09/563977609.db2.gz FTDFREVZBJMTTE-ZETCQYMHSA-N 0 0 334.084 4.254 50 30 EIEARN Cc1c(-c2cc(-c3cccnc3)c(C#N)c(N)n2)c2ccccc2n1C ZINC000071750936 563983010 /nfs/dbraw/zinc/98/30/10/563983010.db2.gz BAFOKZCBDJSRPW-UHFFFAOYSA-N 0 0 339.402 4.065 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(C=Cc2ccco2)C[C@@H]1c1ccccc1 ZINC000033409731 563984282 /nfs/dbraw/zinc/98/42/82/563984282.db2.gz NNXQOKQHXMPRDJ-CPEPPOAQSA-N 0 0 336.387 4.155 50 30 EIEARN N#C[C@@H](C(=O)c1ccc(Cl)c2ncccc12)c1nc2ccccc2[nH]1 ZINC000338627835 563987205 /nfs/dbraw/zinc/98/72/05/563987205.db2.gz XWZDHJNFGIOIHA-ZDUSSCGKSA-N 0 0 346.777 4.255 50 30 EIEARN C=CCc1c(C)nc(SC)nc1Nc1ccc(C(=O)OCC)cc1 ZINC000000186978 563988035 /nfs/dbraw/zinc/98/80/35/563988035.db2.gz XGAJKRUXCWNVCY-UHFFFAOYSA-N 0 0 343.452 4.156 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(C)cc1 ZINC000000203589 563988440 /nfs/dbraw/zinc/98/84/40/563988440.db2.gz JWMOABHPEGOXNJ-APWZRJJASA-N 0 0 340.444 4.376 50 30 EIEARN COc1ccc(NC(=O)O/N=C/c2ccc(Br)cc2)cc1 ZINC000000205609 563988516 /nfs/dbraw/zinc/98/85/16/563988516.db2.gz GIXHTZAJGRMGLW-LICLKQGHSA-N 0 0 349.184 4.040 50 30 EIEARN CCN(CC)c1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000000239968 563989104 /nfs/dbraw/zinc/98/91/04/563989104.db2.gz YMYYHCPMIIWOPS-UHFFFAOYSA-N 0 0 339.464 4.207 50 30 EIEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1 ZINC000000252027 563989516 /nfs/dbraw/zinc/98/95/16/563989516.db2.gz CGXSCRJQZAGHDD-QGZVFWFLSA-N 0 0 345.446 4.305 50 30 EIEARN N#Cc1cc2c(nc1SCC(=O)c1ccc(F)cc1)CCCCC2 ZINC000000279067 563990155 /nfs/dbraw/zinc/99/01/55/563990155.db2.gz BQUPSZLERLMJEP-UHFFFAOYSA-N 0 0 340.423 4.336 50 30 EIEARN CC(=NOC(=O)c1ccccc1Br)c1ccc(C)cc1 ZINC000252460396 563997631 /nfs/dbraw/zinc/99/76/31/563997631.db2.gz DZXHCQWXNXWLCK-UHFFFAOYSA-N 0 0 332.197 4.339 50 30 EIEARN C=CCN1C(=O)/C(=C/c2ccc(OC)c3ccccc23)SC1=S ZINC000005172094 563999880 /nfs/dbraw/zinc/99/98/80/563999880.db2.gz CKEFHOGKZBTQKQ-WJDWOHSUSA-N 0 0 341.457 4.236 50 30 EIEARN CO/N=C1/C[C@H](C)Cc2nnc(-c3ccc(Cl)cc3Cl)cc21 ZINC000005211532 564001081 /nfs/dbraw/zinc/00/10/81/564001081.db2.gz IDIHQEKFIQIKTB-QSAFZBORSA-N 0 0 336.222 4.383 50 30 EIEARN C#CCOc1ccc(CNc2ccc(OCC)cc2)cc1OCC ZINC000409121398 564002202 /nfs/dbraw/zinc/00/22/02/564002202.db2.gz UZGPTVIZDBDXKA-UHFFFAOYSA-N 0 0 325.408 4.108 50 30 EIEARN CCc1cc(OCC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1Cl ZINC000002644950 564003961 /nfs/dbraw/zinc/00/39/61/564003961.db2.gz YDBMEUFUKJNGMX-UHFFFAOYSA-N 0 0 349.217 4.445 50 30 EIEARN Cc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCC#N)cc1 ZINC000005606363 564006320 /nfs/dbraw/zinc/00/63/20/564006320.db2.gz GRJPBFIFTWJFCK-UHFFFAOYSA-N 0 0 325.751 4.324 50 30 EIEARN C[C@H](Sc1nc2ccccc2s1)C(=O)NC1(C#N)CCCCC1 ZINC000005629332 564006743 /nfs/dbraw/zinc/00/67/43/564006743.db2.gz JXBLCSJAPDBICB-LBPRGKRZSA-N 0 0 345.493 4.120 50 30 EIEARN COc1ccc([C@H](NC(C)=C2C(=O)C[C@@H]3[C@H]2C3(C)C)C2CC2)cc1 ZINC000005638426 564006901 /nfs/dbraw/zinc/00/69/01/564006901.db2.gz KJGQFKVXAHSAKD-INXOLPASSA-N 0 0 325.452 4.255 50 30 biogenic EIEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c([S@](C)=O)n2)cc1 ZINC000005659270 564007019 /nfs/dbraw/zinc/00/70/19/564007019.db2.gz UENMMWVPUFESPR-XMMPIXPASA-N 0 0 332.428 4.333 50 30 EIEARN C=CCn1c2c(cccc2OCC)s/c1=N\C(=O)c1cccs1 ZINC000100909579 564017035 /nfs/dbraw/zinc/01/70/35/564017035.db2.gz ROPBASMNHCIHQH-ZCXUNETKSA-N 0 0 344.461 4.090 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1cccnc1)OCO3 ZINC000018197586 564018666 /nfs/dbraw/zinc/01/86/66/564018666.db2.gz BZUOGZTWWYENLT-IBGZPJMESA-N 0 0 348.402 4.011 50 30 EIEARN N#C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccoc1 ZINC000103504347 564022609 /nfs/dbraw/zinc/02/26/09/564022609.db2.gz AKLWRYCMYVNPBL-MRXNPFEDSA-N 0 0 346.342 4.033 50 30 EIEARN C=CCN(C(=O)/C=C/c1ccccn1)c1nc(-c2ccccc2)cs1 ZINC000047518055 564026404 /nfs/dbraw/zinc/02/64/04/564026404.db2.gz DKXYUXIEISCHEX-VAWYXSNFSA-N 0 0 347.443 4.438 50 30 EIEARN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCS[C@H](C)[C@@H]1C ZINC000106856493 564026689 /nfs/dbraw/zinc/02/66/89/564026689.db2.gz DHUHGLGMFTXGFN-HZSPNIEDSA-N 0 0 349.525 4.296 50 30 EIEARN CC(=O)c1cccc(NC=CC(=O)c2ccc(Br)cc2)c1 ZINC000044843423 564027446 /nfs/dbraw/zinc/02/74/46/564027446.db2.gz MISKJWKVVZYXBF-MDZDMXLPSA-N 0 0 344.208 4.460 50 30 EIEARN O=C(/C=C/c1ccc(OCc2cccnc2)cc1)c1cccc(O)c1 ZINC000045111553 564028163 /nfs/dbraw/zinc/02/81/63/564028163.db2.gz FABCFFBKBTTYMH-DHZHZOJOSA-N 0 0 331.371 4.262 50 30 EIEARN C=C(C)CN(CC)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000111781160 564030031 /nfs/dbraw/zinc/03/00/31/564030031.db2.gz MGEJJWCFSZUOLF-UHFFFAOYSA-N 0 0 331.460 4.410 50 30 EIEARN CC(=CC(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000049397338 564032748 /nfs/dbraw/zinc/03/27/48/564032748.db2.gz QNFWKCOBQQVTRC-VUQUXZKVSA-N 0 0 328.721 4.286 50 30 EIEARN N#CCOc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000018830139 564052656 /nfs/dbraw/zinc/05/26/56/564052656.db2.gz LUCOIEZUTKNTGS-UHFFFAOYSA-N 0 0 345.402 4.201 50 30 EIEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)C1 ZINC000254405244 564053690 /nfs/dbraw/zinc/05/36/90/564053690.db2.gz SDCOFNKFMXLZIF-DUWFINSESA-N 0 0 330.468 4.450 50 30 EIEARN Cc1sc(NC(=O)c2ccc(Br)s2)c(C#N)c1C ZINC000001056194 564054240 /nfs/dbraw/zinc/05/42/40/564054240.db2.gz MEWKTCQYSWZUDD-UHFFFAOYSA-N 0 0 341.255 4.313 50 30 EIEARN COc1ccc(-c2nc(C#N)c(NCc3ccc(C)cc3)o2)cc1OC ZINC000001049996 564054243 /nfs/dbraw/zinc/05/42/43/564054243.db2.gz VIAFJBLOUFDVOS-UHFFFAOYSA-N 0 0 349.390 4.151 50 30 EIEARN N#C[C@H](Cc1ccccc1)Sc1nnc2sc3ccccc3n12 ZINC000003269259 564058833 /nfs/dbraw/zinc/05/88/33/564058833.db2.gz OGFGQZGOWVPMEW-ZDUSSCGKSA-N 0 0 336.445 4.171 50 30 EIEARN N#C[C@@H](Cc1ccccc1)Sc1nnc2sc3ccccc3n12 ZINC000003269262 564058836 /nfs/dbraw/zinc/05/88/36/564058836.db2.gz OGFGQZGOWVPMEW-CYBMUJFWSA-N 0 0 336.445 4.171 50 30 EIEARN Brc1ccc(CN=Nc2nc3c(s2)CCCC3)cc1 ZINC000031854623 564061010 /nfs/dbraw/zinc/06/10/10/564061010.db2.gz PMVFUBQYUPILES-SXGWCWSVSA-N 0 0 336.258 4.230 50 30 EIEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC=CC[C@]34C)[C@@H]1CC/C2=N/NC(N)=S ZINC000004026813 564061241 /nfs/dbraw/zinc/06/12/41/564061241.db2.gz RSUWOSICFQPDCA-FCGFKHEGSA-N 0 0 345.556 4.384 50 30 biogenic EIEARN N#Cc1cnc(SCc2ccc(Cl)cc2)nc1C(F)(F)F ZINC000001400463 564064925 /nfs/dbraw/zinc/06/49/25/564064925.db2.gz VSZHPTOIFDAPLZ-UHFFFAOYSA-N 0 0 329.734 4.313 50 30 EIEARN C=CCNC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000058380146 564065270 /nfs/dbraw/zinc/06/52/70/564065270.db2.gz HQWGROLTBAMCRR-SFHVURJKSA-N 0 0 331.868 4.465 50 30 EIEARN C#CCn1cnc(-c2ccccc2)c1-c1ccccc1Cn1cccn1 ZINC000065489778 564066839 /nfs/dbraw/zinc/06/68/39/564066839.db2.gz HPQMBHKVDPCYJR-UHFFFAOYSA-N 0 0 338.414 4.095 50 30 EIEARN C=C(Cl)C[S@@](=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000084157263 564067066 /nfs/dbraw/zinc/06/70/66/564067066.db2.gz NUQLYGSKHIJMQU-NRFANRHFSA-N 0 0 341.885 4.032 50 30 EIEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cccc(C)c1 ZINC000007720171 564070892 /nfs/dbraw/zinc/07/08/92/564070892.db2.gz JAAPKKCOKXQNGT-UHFFFAOYSA-N 0 0 347.418 4.182 50 30 EIEARN C=CCOc1ccc(/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1 ZINC000013788319 564073990 /nfs/dbraw/zinc/07/39/90/564073990.db2.gz PMILFUIDVJKKGO-VBKFSLOCSA-N 0 0 345.489 4.395 50 30 EIEARN O=C(/C=C/c1ccc(/C=C/C(=O)c2cccnc2)cc1)c1cccnc1 ZINC000005224194 564074354 /nfs/dbraw/zinc/07/43/54/564074354.db2.gz QOLCJAWUMGMPQJ-WGDLNXRISA-N 0 0 340.382 4.269 50 30 EIEARN COc1ccc(NC(=O)Nc2cncc(C#Cc3ccccc3)c2)cc1 ZINC000000170504 564074495 /nfs/dbraw/zinc/07/44/95/564074495.db2.gz JFVWPUCMFYETHL-UHFFFAOYSA-N 0 0 343.386 4.134 50 30 EIEARN C=CCC[C@H]([C@H](OC)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002074662 564074794 /nfs/dbraw/zinc/07/47/94/564074794.db2.gz HXNAVZIYCCBMGV-WOJBJXKFSA-N 0 0 344.476 4.491 50 30 EIEARN C=CCSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000002281375 564074814 /nfs/dbraw/zinc/07/48/14/564074814.db2.gz KTIUNKIMZIYNQD-UHFFFAOYSA-N 0 0 338.392 4.121 50 30 EIEARN C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000024034426 564078824 /nfs/dbraw/zinc/07/88/24/564078824.db2.gz XZYWXHWVIJDCDK-INIZCTEOSA-N 0 0 332.325 4.458 50 30 EIEARN N#Cc1ccc(OCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000015982515 564078963 /nfs/dbraw/zinc/07/89/63/564078963.db2.gz XJZVTBBASRYUPV-UHFFFAOYSA-N 0 0 340.382 4.147 50 30 EIEARN C=CCSc1nc2ccccc2n1Cc1ccc(C(=O)OC)cc1 ZINC000015981162 564079003 /nfs/dbraw/zinc/07/90/03/564079003.db2.gz UCRKBOVETDXQOP-UHFFFAOYSA-N 0 0 338.432 4.149 50 30 EIEARN C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000123440723 564086547 /nfs/dbraw/zinc/08/65/47/564086547.db2.gz ZUJCLTWYFUOGTK-KFWWJZLASA-N 0 0 329.469 4.345 50 30 EIEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1ccc(Cl)cc1 ZINC000245253713 564088635 /nfs/dbraw/zinc/08/86/35/564088635.db2.gz LEHLYTRJOAROHP-UHFFFAOYSA-N 0 0 349.246 4.423 50 30 EIEARN C/C(=N\N)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N\N)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000253500281 564089501 /nfs/dbraw/zinc/08/95/01/564089501.db2.gz WVLSVRGWXOQKDI-FSTKQERJSA-N 0 0 342.531 4.215 50 30 EIEARN N#Cc1ccsc1NC(=O)CCCSc1nc2ccccc2[nH]1 ZINC000006607677 564093211 /nfs/dbraw/zinc/09/32/11/564093211.db2.gz POAADNONQIMWFX-UHFFFAOYSA-N 0 0 342.449 4.007 50 30 EIEARN C[C@H](C#N)Sc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C ZINC000036013005 564094688 /nfs/dbraw/zinc/09/46/88/564094688.db2.gz JOFQSDDFHBYVKU-NFAWXSAZSA-N 0 0 327.457 4.095 50 30 EIEARN C=CCSc1ncc(Cl)c(C(=O)Nc2ccc(C)cc2C)n1 ZINC000006748026 564097028 /nfs/dbraw/zinc/09/70/28/564097028.db2.gz WJEURYUZWKRNCC-UHFFFAOYSA-N 0 0 333.844 4.277 50 30 EIEARN N#Cc1ccccc1COC(=O)C(c1ccccc1)c1ccccc1 ZINC000006942158 564101962 /nfs/dbraw/zinc/10/19/62/564101962.db2.gz QXEBDXOPQGYPFG-UHFFFAOYSA-N 0 0 327.383 4.434 50 30 EIEARN COc1ccc(Nc2oc(/C=C/c3cccc(OC)c3)nc2C#N)cc1 ZINC000007275724 564106340 /nfs/dbraw/zinc/10/63/40/564106340.db2.gz SVBIWUHWWSBPFZ-IZZDOVSWSA-N 0 0 347.374 4.477 50 30 EIEARN C=C(Cl)CS(=O)(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000065590490 564107879 /nfs/dbraw/zinc/10/78/79/564107879.db2.gz MHAKVMRRFOOYBD-UHFFFAOYSA-N 0 0 348.276 4.131 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccccc1 ZINC000170623394 564110437 /nfs/dbraw/zinc/11/04/37/564110437.db2.gz QPOUBOSLVZOEQM-FUHWJXTLSA-N 0 0 326.417 4.067 50 30 EIEARN Cc1cccc(C2(C(=O)NCC#Cc3ccccc3)CCCCC2)c1 ZINC000071818669 564111234 /nfs/dbraw/zinc/11/12/34/564111234.db2.gz NCNMESARPUGIEY-UHFFFAOYSA-N 0 0 331.459 4.365 50 30 EIEARN Cc1c(NC(=O)N(C)Cc2cccc(C#N)c2)cccc1OC(F)F ZINC000071854993 564111361 /nfs/dbraw/zinc/11/13/61/564111361.db2.gz VMZAXIFRPGBUMT-UHFFFAOYSA-N 0 0 345.349 4.132 50 30 EIEARN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C ZINC000005166613 564111753 /nfs/dbraw/zinc/11/17/53/564111753.db2.gz KPCDGGNHYODURF-PXQJOHHUSA-N 0 0 328.452 4.226 50 30 EIEARN C=CCNc1nc(-c2c(C)n(C(C)C)c(C)c2C(=O)OC)cs1 ZINC000014102658 564112201 /nfs/dbraw/zinc/11/22/01/564112201.db2.gz APLPPDGPUPIKLM-UHFFFAOYSA-N 0 0 333.457 4.194 50 30 EIEARN N#Cc1ccc(OC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000014469590 564112478 /nfs/dbraw/zinc/11/24/78/564112478.db2.gz NSNPHTNGLRUPLB-UHFFFAOYSA-N 0 0 327.339 4.008 50 30 EIEARN Cc1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)s1 ZINC000005969503 564112485 /nfs/dbraw/zinc/11/24/85/564112485.db2.gz GJSYHLKDBRJMGE-LZYBPNLTSA-N 0 0 334.857 4.139 50 30 EIEARN CSCc1c2ccccc2oc1C(=O)Nc1sccc1C#N ZINC000014626423 564112563 /nfs/dbraw/zinc/11/25/63/564112563.db2.gz FIBYIIYLUCMPHO-UHFFFAOYSA-N 0 0 328.418 4.481 50 30 EIEARN CCOc1ccc2ncc(C#N)c(Nc3cc(OC)cc(OC)c3)c2c1 ZINC000016840755 564113785 /nfs/dbraw/zinc/11/37/85/564113785.db2.gz NAQYRNQXINEZJV-UHFFFAOYSA-N 0 0 349.390 4.266 50 30 EIEARN c1coc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 ZINC000252591161 564120951 /nfs/dbraw/zinc/12/09/51/564120951.db2.gz AYCFUROXFANGDG-UHFFFAOYSA-N 0 0 341.374 4.245 50 30 EIEARN COc1cccc(/C=C2/SC(=Nc3ccc(C)cc3)N(C)C2=O)c1 ZINC000252598281 564121156 /nfs/dbraw/zinc/12/11/56/564121156.db2.gz CZLPUJWLOAOXQB-NETLLJLASA-N 0 0 338.432 4.237 50 30 EIEARN CCCN1C(=O)/C(=C/c2ccco2)SC1=Nc1ccc(OC)cc1 ZINC000252624223 564123142 /nfs/dbraw/zinc/12/31/42/564123142.db2.gz PJISWKBBHQWKMQ-VKCFTAOWSA-N 0 0 342.420 4.302 50 30 EIEARN C[C@]1(O)CC[C@@H]2[C@H]3CC[C@@H]4CC(O)=C(C=O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253529914 564132996 /nfs/dbraw/zinc/13/29/96/564132996.db2.gz ICMWWNHDUZJFDW-LNOONWCWSA-N 0 0 332.484 4.401 50 30 EIEARN Cc1ccc(C(=O)c2sc(Nc3ccccc3)c(C#N)c2N)cc1 ZINC000000495733 564133309 /nfs/dbraw/zinc/13/33/09/564133309.db2.gz PHMAHRGARCIYDY-UHFFFAOYSA-N 0 0 333.416 4.485 50 30 EIEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl ZINC000000566948 564133429 /nfs/dbraw/zinc/13/34/29/564133429.db2.gz OMMQNKNYTBOYAB-UHFFFAOYSA-N 0 0 346.839 4.413 50 30 EIEARN CCn1cc(CN2CCc3[nH]c4c(cccc4Cl)c3C2)cc1C#N ZINC000077355047 564134207 /nfs/dbraw/zinc/13/42/07/564134207.db2.gz JMBQYHYWEIYPET-UHFFFAOYSA-N 0 0 338.842 4.073 50 30 EIEARN CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O ZINC000012859725 564135667 /nfs/dbraw/zinc/13/56/67/564135667.db2.gz HSUZFOURQAQBKY-CVCOPPNTSA-N 0 0 334.371 4.420 50 30 biogenic EIEARN N#Cc1ccc2c(c1)N(C(=O)Nc1cc(Cl)ccc1Cl)CC2 ZINC000225511750 564135753 /nfs/dbraw/zinc/13/57/53/564135753.db2.gz SHSHNHVFLIRCGD-UHFFFAOYSA-N 0 0 332.190 4.460 50 30 EIEARN Cc1cc(C(=O)Nc2scc(-c3cc(C)ccc3C)c2C#N)no1 ZINC000013328638 564136240 /nfs/dbraw/zinc/13/62/40/564136240.db2.gz HAMOUHAQMATSOT-UHFFFAOYSA-N 0 0 337.404 4.452 50 30 EIEARN Cc1ccc(CC[C@H](C)[NH+]=C([O-])N2CCC[C@@H](c3nccs3)C2)o1 ZINC000328587323 564136557 /nfs/dbraw/zinc/13/65/57/564136557.db2.gz APGPBIUSJPFXAB-DZGCQCFKSA-N 0 0 347.484 4.159 50 30 EIEARN CC[C@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)NCc1ccccc1 ZINC000328592495 564136738 /nfs/dbraw/zinc/13/67/38/564136738.db2.gz YVLCNDSMGOMWJN-KRWDZBQOSA-N 0 0 345.826 4.361 50 30 EIEARN Cc1cccc(C(C)C)c1NC(=O)N(CCC#N)Cc1ccccn1 ZINC000079067570 564137761 /nfs/dbraw/zinc/13/77/61/564137761.db2.gz QULHCEHBMPLGKP-UHFFFAOYSA-N 0 0 336.439 4.461 50 30 EIEARN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(F)c1C#N ZINC000095912947 564141893 /nfs/dbraw/zinc/14/18/93/564141893.db2.gz IXEGHFOYPBBQRQ-UHFFFAOYSA-N 0 0 336.363 4.374 50 30 EIEARN O=C(/C=C\c1ccc(OCc2cccnc2)cc1)c1cccc(O)c1 ZINC000096297804 564146616 /nfs/dbraw/zinc/14/66/16/564146616.db2.gz FABCFFBKBTTYMH-FLIBITNWSA-N 0 0 331.371 4.262 50 30 EIEARN N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NCCOc1ccccc1 ZINC000096346340 564146856 /nfs/dbraw/zinc/14/68/56/564146856.db2.gz LBEOIXFUNZCBPM-ZWKOTPCHSA-N 0 0 345.402 4.308 50 30 EIEARN COc1ccc(/C=C\C(=O)c2ccc(C#N)cc2)cc1OCCCC#N ZINC000096400973 564147070 /nfs/dbraw/zinc/14/70/70/564147070.db2.gz SHWVNGYHBWEIJX-POHAHGRESA-N 0 0 346.386 4.146 50 30 EIEARN CCn1cc(/C=C2\Oc3cc(OC)ccc3C2=O)c2cc(OC)ccc21 ZINC000028182708 564150598 /nfs/dbraw/zinc/15/05/98/564150598.db2.gz DQIPDRNISGKCON-UKWGHVSLSA-N 0 0 349.386 4.295 50 30 EIEARN CCn1cc(/C=C2\Oc3cc(OCC#N)ccc3C2=O)c2ccccc21 ZINC000028182768 564150652 /nfs/dbraw/zinc/15/06/52/564150652.db2.gz HIVSSAUWSYPIMU-JAIQZWGSSA-N 0 0 344.370 4.180 50 30 EIEARN CCc1ccc(OCC(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1 ZINC000002660068 564152033 /nfs/dbraw/zinc/15/20/33/564152033.db2.gz RAKOIKLREQIEJF-OAHLLOKOSA-N 0 0 336.416 4.114 50 30 EIEARN N#Cc1c(NC(=O)c2cccc(OC(F)F)c2)sc2c1CCCC2 ZINC000002792618 564152693 /nfs/dbraw/zinc/15/26/93/564152693.db2.gz WXZDRSWSZSBTIH-UHFFFAOYSA-N 0 0 348.374 4.352 50 30 EIEARN COCc1cc(C)nc(SCc2ccc(F)cc2Cl)c1C#N ZINC000002861423 564152852 /nfs/dbraw/zinc/15/28/52/564152852.db2.gz HDCIGWJSWHIVLO-UHFFFAOYSA-N 0 0 336.819 4.493 50 30 EIEARN Cc1cc(C)nc(C(C#N)C(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)n1 ZINC000230094821 564154485 /nfs/dbraw/zinc/15/44/85/564154485.db2.gz VONMVFLIILYWJU-GBESFXJTSA-N 0 0 333.435 4.197 50 30 EIEARN O=C(O/N=C/c1c(-c2ccccc2)nc2sccn12)c1ccccc1 ZINC000003029521 564154496 /nfs/dbraw/zinc/15/44/96/564154496.db2.gz BEQWUMLZDPCETJ-DEDYPNTBSA-N 0 0 347.399 4.254 50 30 EIEARN C=CCNc1nc(CN2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC000003476907 564158344 /nfs/dbraw/zinc/15/83/44/564158344.db2.gz FRXZYEGTIMOXNM-UHFFFAOYSA-N 0 0 342.512 4.010 50 30 EIEARN N#Cc1c(F)cccc1N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000058342052 564158786 /nfs/dbraw/zinc/15/87/86/564158786.db2.gz RLCIIDJMVPZGKF-QGZVFWFLSA-N 0 0 338.382 4.200 50 30 EIEARN COc1ccc(OC)c([C@@H]2CCCN2c2cccc(F)c2C#N)c1 ZINC000058368689 564158886 /nfs/dbraw/zinc/15/88/86/564158886.db2.gz LYJXBYRSNPZCTG-KRWDZBQOSA-N 0 0 326.371 4.056 50 30 EIEARN COc1ccc([C@H]2CCCN2C(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000058453518 564159165 /nfs/dbraw/zinc/15/91/65/564159165.db2.gz OFYDFUXIBSLOJS-LJQANCHMSA-N 0 0 335.407 4.244 50 30 EIEARN COCc1cc(C)nc(N=NCc2cccc(Cl)c2Cl)c1C#N ZINC000031842159 564160044 /nfs/dbraw/zinc/16/00/44/564160044.db2.gz WCWGXXRMVAZHOH-ZBKNUEDVSA-N 0 0 349.221 4.161 50 30 EIEARN CC/N=C1\S/C(=C\c2ccc(-c3ccccc3F)o2)C(=O)N1CC ZINC000032252864 564161116 /nfs/dbraw/zinc/16/11/16/564161116.db2.gz SRBIKHJYVCOCMH-JTHVCAJSSA-N 0 0 344.411 4.398 50 30 EIEARN N#Cc1ccc(CSc2nnc(C3CC3)n2-c2ccccc2)cc1 ZINC000008391612 564164997 /nfs/dbraw/zinc/16/49/97/564164997.db2.gz NCTSPXQFFFFPMT-UHFFFAOYSA-N 0 0 332.432 4.309 50 30 EIEARN C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccccc2F)c1 ZINC000008558578 564165703 /nfs/dbraw/zinc/16/57/03/564165703.db2.gz ZUVZJYXDALITON-QGZVFWFLSA-N 0 0 329.371 4.187 50 30 EIEARN N#Cc1nc(-c2cccc3ccccc32)oc1NCCCn1ccnc1 ZINC000008642876 564166194 /nfs/dbraw/zinc/16/61/94/564166194.db2.gz CWLLKDPWAYWNOH-UHFFFAOYSA-N 0 0 343.390 4.065 50 30 EIEARN N#CC1CCN(C(=O)Nc2ccccc2SC2CCCC2)CC1 ZINC000069568731 564170580 /nfs/dbraw/zinc/17/05/80/564170580.db2.gz JRVZVZQGSZWPQX-UHFFFAOYSA-N 0 0 329.469 4.489 50 30 EIEARN C=C(Cl)CN(C(=O)Cc1c(C)noc1C)[C@H]1CCc2ccccc21 ZINC000069570698 564170617 /nfs/dbraw/zinc/17/06/17/564170617.db2.gz ZPRVAWMRTDSKHE-SFHVURJKSA-N 0 0 344.842 4.103 50 30 EIEARN C=CCN(Cc1ccccc1)C(=O)Nc1cc(-c2nnco2)ccc1C ZINC000069776201 564172150 /nfs/dbraw/zinc/17/21/50/564172150.db2.gz MCQWUPPYKALTOV-UHFFFAOYSA-N 0 0 348.406 4.265 50 30 EIEARN C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(F)cc1 ZINC000069892664 564172680 /nfs/dbraw/zinc/17/26/80/564172680.db2.gz HTUKOVQQUWQJGN-CYBMUJFWSA-N 0 0 343.427 4.128 50 30 EIEARN Cc1ccc(NC2=N[C@@H]3N=C(c4ccc(C)cc4)S[C@@H]3S2)cc1 ZINC000041097513 564173195 /nfs/dbraw/zinc/17/31/95/564173195.db2.gz MNVUGUZSNAZIGP-DOTOQJQBSA-N 0 0 339.489 4.473 50 30 EIEARN CC(C)(C)C[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000071857272 564176094 /nfs/dbraw/zinc/17/60/94/564176094.db2.gz GXULTXWHPIAXNQ-QGZVFWFLSA-N 0 0 331.435 4.248 50 30 EIEARN N#Cc1cccc(C=Cc2nc(=O)c3c4c(sc3[nH]2)CCCCC4)c1 ZINC000014177974 1022811064 /nfs/dbraw/zinc/81/10/64/1022811064.db2.gz LJCPSXJQKAXBGR-MDZDMXLPSA-N 0 0 347.443 4.296 50 30 EIEARN C#CCNC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000014497355 1023128319 /nfs/dbraw/zinc/12/83/19/1023128319.db2.gz BBAKIJWGESANHV-CCEZHUSRSA-N 0 0 342.398 4.068 50 30 EIEARN O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1cccnc1C1CC1 ZINC000329652707 1023515963 /nfs/dbraw/zinc/51/59/63/1023515963.db2.gz LFANBHUYKNSXFU-OAHLLOKOSA-N 0 0 328.799 4.441 50 30 EIEARN C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2sc(-c3ccccc3)cc2C#N)O1 ZINC000332212826 1023890855 /nfs/dbraw/zinc/89/08/55/1023890855.db2.gz VHZGWENPSZVGTP-HWWQOWPSSA-N 0 0 326.421 4.039 50 30 EIEARN CSc1ccc(C=NOCC(=O)Nc2ccccc2Cl)cc1 ZINC000254875040 1036122317 /nfs/dbraw/zinc/12/23/17/1036122317.db2.gz VFQLKZOTFQXUAO-UHFFFAOYSA-N 0 0 334.828 4.051 50 30 EIEARN CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C\c1ccc(CC)cc1)CC2 ZINC000033498945 1047388333 /nfs/dbraw/zinc/38/83/33/1047388333.db2.gz LGKAUVAVPUMWIY-VBKFSLOCSA-N 0 0 337.419 4.275 50 30 EIEARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)c1ccc(O)cc1 ZINC000033681015 1047744249 /nfs/dbraw/zinc/74/42/49/1047744249.db2.gz VUYIWKRPQYXOHH-QXMHVHEDSA-N 0 0 338.794 4.436 50 30 EIEARN O=C(/C=C\c1cnc(-c2cccnc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000952847512 1049677418 /nfs/dbraw/zinc/67/74/18/1049677418.db2.gz VYOHMWDNHFBIAP-FPLPWBNLSA-N 0 0 337.360 4.009 50 30 EIEARN CCCCc1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)cc1 ZINC000051319151 214089175 /nfs/dbraw/zinc/08/91/75/214089175.db2.gz HBKDDIBAXZGVJD-UHFFFAOYSA-N 0 0 331.419 4.494 50 30 EIEARN C=CCc1cc(CN2CCCC[C@@H]2c2nc(C)no2)ccc1OCC ZINC000055053863 214268362 /nfs/dbraw/zinc/26/83/62/214268362.db2.gz LWLVSSNIGSPNSG-GOSISDBHSA-N 0 0 341.455 4.232 50 30 EIEARN CCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N/c1ccccc1 ZINC000004664311 210241110 /nfs/dbraw/zinc/24/11/10/210241110.db2.gz DLGASYBJMJZMMI-SXXHPKIYSA-N 0 0 338.432 4.319 50 30 EIEARN COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(F)(F)F)cc1)CO2 ZINC000058201502 214501146 /nfs/dbraw/zinc/50/11/46/214501146.db2.gz DNIIQZNFDCMWLD-WQLSENKSSA-N 0 0 334.293 4.373 50 30 EIEARN C=CCOc1ccc(CNc2ccc(N3CCCC3)cc2)cc1OC ZINC000004649737 210237087 /nfs/dbraw/zinc/23/70/87/210237087.db2.gz YQFNXMXSCBVQME-UHFFFAOYSA-N 0 0 338.451 4.472 50 30 EIEARN O=C(/C=C\c1cccc(F)c1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000098054386 219074140 /nfs/dbraw/zinc/07/41/40/219074140.db2.gz HFEWLATXTRWJNL-QBFSEMIESA-N 0 0 342.373 4.272 50 30 EIEARN CCOc1ccc(/C=C\C(=O)c2ccc(Br)cc2)nc1 ZINC000098053158 219074254 /nfs/dbraw/zinc/07/42/54/219074254.db2.gz YMRLJXMXDLLYAR-NTMALXAHSA-N 0 0 332.197 4.139 50 30 EIEARN CCOc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 ZINC000004554794 210220808 /nfs/dbraw/zinc/22/08/08/210220808.db2.gz FOSQTTZDBJNBHI-GFCCVEGCSA-N 0 0 340.448 4.396 50 30 EIEARN COc1cc(OC)c(/N=C/c2cc(Cl)ccc2O)cc1Cl ZINC000100037420 219089325 /nfs/dbraw/zinc/08/93/25/219089325.db2.gz XNISEIWKUKATAV-QGMBQPNBSA-N 0 0 326.179 4.467 50 30 EIEARN CC(=O)C(=CNc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1 ZINC000100068278 219089601 /nfs/dbraw/zinc/08/96/01/219089601.db2.gz QISWMJAAMURTOQ-WJDWOHSUSA-N 0 0 348.324 4.229 50 30 EIEARN O=C1CC[C@@H](c2ccccc2)C(=O)C1=CNc1ccccc1Cl ZINC000100217377 219094674 /nfs/dbraw/zinc/09/46/74/219094674.db2.gz XMXLVMKZNZJJPU-UZFBZYOGSA-N 0 0 325.795 4.352 50 30 EIEARN CCc1ccc2c(c1)C(=N[N-]c1nc(-c3ccccc3)cs1)C(=O)N2 ZINC000100399307 219098104 /nfs/dbraw/zinc/09/81/04/219098104.db2.gz NPRNUWIZXPGFKU-UHFFFAOYSA-N 0 0 348.431 4.141 50 30 EIEARN CCCCCCCn1c2ccccc2n(C[C@H](O)c2ccco2)c1=N ZINC000100573087 219101886 /nfs/dbraw/zinc/10/18/86/219101886.db2.gz GANLGRNROBRFHX-SFHVURJKSA-N 0 0 341.455 4.219 50 30 EIEARN O=C(/N=C1/c2ccccc2C(=O)C(Cl)=C1Cl)c1ccccc1 ZINC000100837319 219108806 /nfs/dbraw/zinc/10/88/06/219108806.db2.gz HABYMUVRSBYYDJ-HKWRFOASSA-N 0 0 330.170 4.202 50 30 EIEARN CN(C)/C=N/C(=S)c1sccc1COc1ccc(Cl)cc1 ZINC000004389919 210186423 /nfs/dbraw/zinc/18/64/23/210186423.db2.gz VZIZKKSBHQKHFR-LICLKQGHSA-N 0 0 338.885 4.246 50 30 EIEARN O=C1c2ccccc2C(=O)C1=C1Nc2cc(Cl)c(Cl)cc2N1 ZINC000100937260 219111810 /nfs/dbraw/zinc/11/18/10/219111810.db2.gz OETUODRFSXIBBJ-UHFFFAOYSA-N 0 0 331.158 4.122 50 30 EIEARN Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N\O)CC(C)(C)C2 ZINC000100931488 219111821 /nfs/dbraw/zinc/11/18/21/219111821.db2.gz ZZAAFEPVYKPANW-NHDPSOOVSA-N 0 0 347.802 4.039 50 30 EIEARN O=C1C=C(NC2Cc3ccccc3C2)C[C@@H](c2ccccc2Cl)C1 ZINC000101172550 219118796 /nfs/dbraw/zinc/11/87/96/219118796.db2.gz QNDPEUWWCSRAIV-MRXNPFEDSA-N 0 0 337.850 4.427 50 30 EIEARN Cc1cccc(NC(=O)C(=O)C=C([O-])c2ccc(Cl)cc2)c1C ZINC000101355419 219123748 /nfs/dbraw/zinc/12/37/48/219123748.db2.gz MDAYUALVHLTSJA-YVLHZVERSA-N 0 0 329.783 4.220 50 30 EIEARN CC1(C)CC(=O)C(C(=O)c2ccccc2)=C(NCCc2ccccc2)C1 ZINC000101360935 219124441 /nfs/dbraw/zinc/12/44/41/219124441.db2.gz OYYAXVVEEPHNEB-UHFFFAOYSA-N 0 0 347.458 4.345 50 30 EIEARN Cc1ccc(C(=O)/C=C/c2c(Cl)n(C)nc2C(F)(F)F)cc1 ZINC000004284978 210160509 /nfs/dbraw/zinc/16/05/09/210160509.db2.gz RCFPJDVYDKRNBH-BQYQJAHWSA-N 0 0 328.721 4.297 50 30 EIEARN Cc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C#N)c1C ZINC000004113258 210123341 /nfs/dbraw/zinc/12/33/41/210123341.db2.gz QMLHURUQQRJTOR-UHFFFAOYSA-N 0 0 335.772 4.051 50 30 EIEARN O=C(/C=C/c1ccncc1)c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000004116242 210123378 /nfs/dbraw/zinc/12/33/78/210123378.db2.gz XLPILTJEDAWGFX-BJMVGYQFSA-N 0 0 346.361 4.369 50 30 EIEARN Oc1ccc(Br)cc1C=Nc1cc(-c2ccccc2)[nH]n1 ZINC000004113162 210123197 /nfs/dbraw/zinc/12/31/97/210123197.db2.gz VMUJKYVISKSCQG-VCHYOVAHSA-N 0 0 342.196 4.295 50 30 EIEARN O=C(/C=C/c1c[nH]c2ccc(Br)cc12)c1ccncc1 ZINC000003995992 210097607 /nfs/dbraw/zinc/09/76/07/210097607.db2.gz DWJJHEMSKLZAQJ-DAFODLJHSA-N 0 0 327.181 4.222 50 30 EIEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC21OCCO1 ZINC000003881631 210083145 /nfs/dbraw/zinc/08/31/45/210083145.db2.gz AOYBIWCQSGSYJF-DEPCRRQNSA-N 0 0 328.452 4.037 50 30 biogenic EIEARN C=CCNC(=S)NCC[C@@H]1[C@H](c2c(C)[nH]c3ccccc32)C1(C)C ZINC000003764158 210073890 /nfs/dbraw/zinc/07/38/90/210073890.db2.gz GOXUGZPZDXDYSW-CRAIPNDOSA-N 0 0 341.524 4.256 50 30 EIEARN N#Cc1ccccc1OCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000003340659 210013752 /nfs/dbraw/zinc/01/37/52/210013752.db2.gz NCTGGNHWBYMKAZ-UHFFFAOYSA-N 0 0 344.370 4.368 50 30 EIEARN Cc1ccc2ncccc2c1-c1cc(-c2cccnc2)nc(N)c1C#N ZINC000067821676 215223386 /nfs/dbraw/zinc/22/33/86/215223386.db2.gz RGQSBWHEHWXCKE-UHFFFAOYSA-N 0 0 337.386 4.121 50 30 EIEARN C=CCN(Cc1cnc(-c2cccc(C)c2)nc1)Cc1ccccn1 ZINC000067846651 215228033 /nfs/dbraw/zinc/22/80/33/215228033.db2.gz SDIJKLRCPKFLET-UHFFFAOYSA-N 0 0 330.435 4.035 50 30 EIEARN C=C(C)CSc1nnc([C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)o1 ZINC000002437993 209850705 /nfs/dbraw/zinc/85/07/05/209850705.db2.gz UZOFRBHEEZZUOK-NEPJUHHUSA-N 0 0 341.477 4.350 50 30 EIEARN CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC#N)cc21 ZINC000068755388 215331213 /nfs/dbraw/zinc/33/12/13/215331213.db2.gz HLIUVACEXHSVEW-UHFFFAOYSA-N 0 0 348.402 4.077 50 30 EIEARN Cc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000001959824 209807670 /nfs/dbraw/zinc/80/76/70/209807670.db2.gz UJPFUJBDEICEFP-GFCCVEGCSA-N 0 0 340.448 4.071 50 30 EIEARN N#Cc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(F)c2)cc1 ZINC000040288357 213290148 /nfs/dbraw/zinc/29/01/48/213290148.db2.gz VDDAOYFPSGVLEI-MRXNPFEDSA-N 0 0 332.338 4.007 50 30 EIEARN CC(=O)Nc1ccc(/C=C2\C(=O)c3c(c(Cl)ccc3O)[C@@H]2C)cc1 ZINC000040073252 213258309 /nfs/dbraw/zinc/25/83/09/213258309.db2.gz AAZZUZYAKGYKGH-AHEVQNHNSA-N 0 0 341.794 4.387 50 30 EIEARN Cc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c1 ZINC000001305769 209724984 /nfs/dbraw/zinc/72/49/84/209724984.db2.gz FGNCIEMOHFUHAF-VCHYOVAHSA-N 0 0 328.828 4.078 50 30 EIEARN CC(C)(O)C#C[C@](O)(c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000000463365 209616741 /nfs/dbraw/zinc/61/67/41/209616741.db2.gz VICSMWXAVZDNGA-SFHVURJKSA-N 0 0 335.230 4.004 50 30 EIEARN N#Cc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2F)cc1 ZINC000036358391 213088911 /nfs/dbraw/zinc/08/89/11/213088911.db2.gz MUGPUNAWITWBIB-AWEZNQCLSA-N 0 0 332.338 4.007 50 30 EIEARN C[C@H](Nc1oc(-c2ccccc2[N+](=O)[O-])nc1C#N)c1ccccc1 ZINC000035672453 213045267 /nfs/dbraw/zinc/04/52/67/213045267.db2.gz ZTXPTGUAZDCKIR-LBPRGKRZSA-N 0 0 334.335 4.295 50 30 EIEARN N#Cc1c(N)nc(-c2ccc[nH]2)cc1-c1ccc([C@H]2CCCCO2)o1 ZINC000071752390 215809157 /nfs/dbraw/zinc/80/91/57/215809157.db2.gz RREUXCZAOHBSQX-QGZVFWFLSA-N 0 0 334.379 4.032 50 30 EIEARN Cc1ccc(F)cc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000071910101 215954025 /nfs/dbraw/zinc/95/40/25/215954025.db2.gz CYJMLKBWMCCKCA-UHFFFAOYSA-N 0 0 343.242 4.091 50 30 EIEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1nc(C)cc1C ZINC000000390197 209565829 /nfs/dbraw/zinc/56/58/29/209565829.db2.gz ZNYKTPUYSVDYOK-UHFFFAOYSA-N 0 0 329.407 4.033 50 30 EIEARN CSc1nnc(-c2ccccc2)n1/N=C/c1c[nH]c2ccccc12 ZINC000000289535 209520002 /nfs/dbraw/zinc/52/00/02/209520002.db2.gz RABZITGOVLAIPM-UDWIEESQSA-N 0 0 333.420 4.031 50 30 EIEARN Cc1ccc(S(=O)(=O)/N=C/c2ccc(Cl)cc2Cl)cc1 ZINC000000282817 209516979 /nfs/dbraw/zinc/51/69/79/209516979.db2.gz LYNUMIQLHVJXKW-RQZCQDPDSA-N 0 0 328.220 4.110 50 30 EIEARN Cc1ccc(CNc2oc(COc3ccccc3F)nc2C#N)cc1 ZINC000000108106 209425104 /nfs/dbraw/zinc/42/51/04/209425104.db2.gz QGKVNBGVFJTVAL-UHFFFAOYSA-N 0 0 337.354 4.185 50 30 EIEARN Cc1ccc(/N=C/c2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000000096025 209417502 /nfs/dbraw/zinc/41/75/02/209417502.db2.gz CJAMDYWDDWYOIX-VGOFMYFVSA-N 0 0 325.187 4.478 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1 ZINC000000066743 209398329 /nfs/dbraw/zinc/39/83/29/209398329.db2.gz UOGLSKXPKAPSBV-CTNGQTDRSA-N 0 0 334.415 4.314 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccccc1 ZINC000000066748 209397962 /nfs/dbraw/zinc/39/79/62/209397962.db2.gz UOGLSKXPKAPSBV-FPOVZHCZSA-N 0 0 334.415 4.314 50 30 EIEARN O=C1CCCC2=C1C(c1ccc(Cl)cc1)C1=C(CCCC1=O)O2 ZINC000000049884 209390119 /nfs/dbraw/zinc/39/01/19/209390119.db2.gz GJUQWIYMKVLJOF-UHFFFAOYSA-N 0 0 328.795 4.468 50 30 EIEARN Cc1cc(C(=O)Nc2ccc(C)nc2C)c(C)n1-c1ccc(C#N)cc1 ZINC000130803412 223177859 /nfs/dbraw/zinc/17/78/59/223177859.db2.gz SBGQJNAQRJNJEO-UHFFFAOYSA-N 0 0 344.418 4.230 50 30 EIEARN CC1CC[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccccc2)O3)CC1 ZINC000022625709 212313572 /nfs/dbraw/zinc/31/35/72/212313572.db2.gz YEEXJWSIMSUQAA-MOSHPQCFSA-N 0 0 349.430 4.240 50 30 biogenic EIEARN C[C@H]1CCC[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccccc2)O3)C1 ZINC000022625691 212313300 /nfs/dbraw/zinc/31/33/00/212313300.db2.gz VUSYPEUNWOSRBV-DKNZLLBESA-N 0 0 349.430 4.240 50 30 biogenic EIEARN COc1ccc(F)cc1C1=NN/C(=N\c2c(C)cccc2C)SC1 ZINC000022504187 212301670 /nfs/dbraw/zinc/30/16/70/212301670.db2.gz MXGNOPHDHJDBEE-UHFFFAOYSA-N 0 0 343.427 4.179 50 30 EIEARN N#Cc1cccc(C(=O)N2CCS[C@H](c3ccccc3F)CC2)c1 ZINC000219111978 241363708 /nfs/dbraw/zinc/36/37/08/241363708.db2.gz RESNULXFVZGOFD-SFHVURJKSA-N 0 0 340.423 4.018 50 30 EIEARN N#Cc1nc(/C=C/c2ccc(F)cc2)oc1N1CCc2ccccc2C1 ZINC000020868133 212180706 /nfs/dbraw/zinc/18/07/06/212180706.db2.gz BQMOKKPLKOGEPZ-JXMROGBWSA-N 0 0 345.377 4.418 50 30 EIEARN CCc1nc(N[C@H](C)Cc2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000020840254 212175202 /nfs/dbraw/zinc/17/52/02/212175202.db2.gz LWYWAKSBJOLHDS-OAHLLOKOSA-N 0 0 349.478 4.410 50 30 EIEARN Cc1noc2c1[C@H](C(C)C)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000020733018 212166831 /nfs/dbraw/zinc/16/68/31/212166831.db2.gz AFHHHLFGAJOBGJ-GUYCJALGSA-N 0 0 338.407 4.255 50 30 EIEARN CN(C)c1ccc(C(=O)/C=C/c2cc3c(c(Cl)c2)OCO3)cc1 ZINC000020620961 212157006 /nfs/dbraw/zinc/15/70/06/212157006.db2.gz AXIAMCZWLGOPEU-FPYGCLRLSA-N 0 0 329.783 4.031 50 30 EIEARN N#Cc1ccc(NC(=O)NCc2ccc(F)cc2C(F)(F)F)cc1 ZINC000040097299 213263190 /nfs/dbraw/zinc/26/31/90/213263190.db2.gz XIDQJUHYRVRSKK-UHFFFAOYSA-N 0 0 337.276 4.038 50 30 EIEARN CCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccc2c(c1)OCO2 ZINC000019521000 212036949 /nfs/dbraw/zinc/03/69/49/212036949.db2.gz FBCNNWDZEGCDCT-UHFFFAOYSA-N 0 0 343.386 4.161 50 30 EIEARN Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nn1C(C)C ZINC000049342714 214001168 /nfs/dbraw/zinc/00/11/68/214001168.db2.gz ALIBJSMYTFFXNR-NSHDSACASA-N 0 0 342.468 4.083 50 30 EIEARN COc1cccc2c1OC[C@H](Nc1ccc(C#N)cc1C(F)(F)F)C2 ZINC000078839050 217132058 /nfs/dbraw/zinc/13/20/58/217132058.db2.gz SNNCVAPJIGMMNB-CYBMUJFWSA-N 0 0 348.324 4.001 50 30 EIEARN CCOc1ccc2c(c1)S/C(=N/c1ccc(N(C)C)cc1)C2=O ZINC000016309901 211895128 /nfs/dbraw/zinc/89/51/28/211895128.db2.gz OZLGRMOQNBNUTH-VHEBQXMUSA-N 0 0 326.421 4.170 50 30 EIEARN CN1C=C(C(=O)c2c[nH]c3ccccc23)c2[nH]c3ccccc3c2CC1 ZINC000079188871 217200304 /nfs/dbraw/zinc/20/03/04/217200304.db2.gz WOQGTMYDPYTZOC-UHFFFAOYSA-N 0 0 341.414 4.361 50 30 biogenic EIEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc2ccccc2o1 ZINC000012527936 211399474 /nfs/dbraw/zinc/39/94/74/211399474.db2.gz VTGGJLSDRQVJRF-UHFFFAOYSA-N 0 0 338.366 4.480 50 30 EIEARN C=CCCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1C ZINC000012454489 211386847 /nfs/dbraw/zinc/38/68/47/211386847.db2.gz UOXWUQIRWRQICR-KRWDZBQOSA-N 0 0 337.467 4.277 50 30 EIEARN COc1ccc2c3c(cccc13)O/C(=N\c1ccc(N(C)C)cc1)C2=O ZINC000012436576 211379713 /nfs/dbraw/zinc/37/97/13/211379713.db2.gz PTMBHQVSMGPRRT-DQRAZIAOSA-N 0 0 346.386 4.220 50 30 EIEARN COc1cc(/C=C2\Sc3ccccc3C2=O)cc2sc(=O)oc21 ZINC000012418931 211374443 /nfs/dbraw/zinc/37/44/43/211374443.db2.gz INHCMAQHPBSTRP-QPEQYQDCSA-N 0 0 342.397 4.193 50 30 EIEARN CC(C)(C)[C@@H]1CC/C(=N/OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C#N)C1 ZINC000011916327 211268179 /nfs/dbraw/zinc/26/81/79/211268179.db2.gz UMNUGGQOIYNLFJ-RFLJKCSHSA-N 0 0 343.383 4.094 50 30 EIEARN Cc1occc1-c1nnc(SCc2cn3ccccc3c2C#N)o1 ZINC000010469822 211175339 /nfs/dbraw/zinc/17/53/39/211175339.db2.gz BZTFULYVGJNIQR-UHFFFAOYSA-N 0 0 336.376 4.055 50 30 EIEARN Cn1c(SCC#N)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000009944429 211134275 /nfs/dbraw/zinc/13/42/75/211134275.db2.gz ZTALGWUAWHETBG-GFCCVEGCSA-N 0 0 346.525 4.310 50 30 EIEARN N#Cc1ccc(-c2ccc(OCc3nnc(-c4ccco4)o3)cc2)cc1 ZINC000009862819 211128964 /nfs/dbraw/zinc/12/89/64/211128964.db2.gz WKLQEEWTVTWJRH-UHFFFAOYSA-N 0 0 343.342 4.447 50 30 EIEARN C=C(C)COc1ccccc1C(=O)Nc1cccc(NC(=O)CC)c1 ZINC000009230933 211056562 /nfs/dbraw/zinc/05/65/62/211056562.db2.gz CHVLOUMHPNKKRB-UHFFFAOYSA-N 0 0 338.407 4.242 50 30 EIEARN C=CCNc1oc(-c2ccc(COc3ccc(C)cc3)o2)nc1C#N ZINC000008844502 211010415 /nfs/dbraw/zinc/01/04/15/211010415.db2.gz QUCAOCOHXQWMCS-UHFFFAOYSA-N 0 0 335.363 4.292 50 30 EIEARN N#Cc1ccccc1-c1ccccc1C(=O)NCCc1ccc(F)cc1 ZINC000008275065 210924686 /nfs/dbraw/zinc/92/46/86/210924686.db2.gz XDWTXUGCBGRXPQ-UHFFFAOYSA-N 0 0 344.389 4.337 50 30 EIEARN Cc1nc(-c2ccc(O)cc2)sc1C(=O)/C=C/c1cccc(O)c1 ZINC000007333559 210784030 /nfs/dbraw/zinc/78/40/30/210784030.db2.gz SXQRFEYVMGSMMU-BJMVGYQFSA-N 0 0 337.400 4.426 50 30 EIEARN Cc1ccc(-n2c(S[C@@H](C)C#N)nnc2-c2ccccc2F)cc1 ZINC000006865502 210730880 /nfs/dbraw/zinc/73/08/80/210730880.db2.gz GZVKXBIFTRRXDW-ZDUSSCGKSA-N 0 0 338.411 4.386 50 30 EIEARN COc1ccc2cc(/C=N/NCc3ccccc3)c(Cl)nc2c1 ZINC000005556287 210487332 /nfs/dbraw/zinc/48/73/32/210487332.db2.gz FHKJJDSPOIMQGX-CIAFOILYSA-N 0 0 325.799 4.021 50 30 EIEARN Cc1nc(-c2ccccc2)sc1C(=O)OCc1cccc(C#N)c1 ZINC000005520523 210480029 /nfs/dbraw/zinc/48/00/29/210480029.db2.gz CKDPCIXEHZHGIG-UHFFFAOYSA-N 0 0 334.400 4.347 50 30 EIEARN CCCCn1nc(C)c(/C=C\C(=O)Oc2ccc(C#N)cc2)c1Cl ZINC000096571127 218884088 /nfs/dbraw/zinc/88/40/88/218884088.db2.gz OITYIKZYLIDNOD-KTKRTIGZSA-N 0 0 343.814 4.136 50 30 EIEARN O=C(/C=C/c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000005128178 210396326 /nfs/dbraw/zinc/39/63/26/210396326.db2.gz YFLUWJRKMBXCSC-XCVCLJGOSA-N 0 0 332.153 4.253 50 30 EIEARN N#Cc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000005059975 210378642 /nfs/dbraw/zinc/37/86/42/210378642.db2.gz SPROZVDPBRVHRH-UHFFFAOYSA-N 0 0 335.588 4.226 50 30 EIEARN N#CCOC(=O)c1c2c(nc3ccccc31)/C(=C/c1cccs1)CC2 ZINC000005013699 210360110 /nfs/dbraw/zinc/36/01/10/210360110.db2.gz QNBJHJYHGNZKNC-OUKQBFOZSA-N 0 0 346.411 4.463 50 30 EIEARN O=[N+]([O-])c1ccc(Cl)c(C=NN=c2[nH]c3ccccc3s2)c1 ZINC000004995960 210354418 /nfs/dbraw/zinc/35/44/18/210354418.db2.gz AHPQWLUNCGQKDB-LZYBPNLTSA-N 0 0 332.772 4.304 50 30 EIEARN CC(O)=C1C(=O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000004900721 210315362 /nfs/dbraw/zinc/31/53/62/210315362.db2.gz RMFBDGDNDXDJJH-KRWDZBQOSA-N 0 0 341.794 4.137 50 30 EIEARN C=CCOc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O ZINC000004838250 210293258 /nfs/dbraw/zinc/29/32/58/210293258.db2.gz BALGWOQAVSHMPR-VBKFSLOCSA-N 0 0 339.778 4.249 50 30 EIEARN COc1ccc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCOC3)cc1 ZINC000004770971 210273445 /nfs/dbraw/zinc/27/34/45/210273445.db2.gz NYNYRVQKDMXTAT-FARCUNLSSA-N 0 0 330.767 4.111 50 30 EIEARN CCSC1=N/C(=C\c2cc(Cl)cc(OC)c2OC)C(=O)S1 ZINC000004755155 210272549 /nfs/dbraw/zinc/27/25/49/210272549.db2.gz UMRHNBFRZYOEQE-POHAHGRESA-N 0 0 343.857 4.081 50 30 EIEARN CC(C)Oc1ncc(Cl)cc1NC(=O)[C@@H]1CCCCC(=O)N1 ZINC000328597044 258042323 /nfs/dbraw/zinc/04/23/23/258042323.db2.gz CTLQYEKPGSEOGR-NSHDSACASA-N 0 0 325.796 4.009 50 30 EIEARN C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(Br)cs1 ZINC000007786414 258018077 /nfs/dbraw/zinc/01/80/77/258018077.db2.gz WKTPXGLSHXJWHA-AWEZNQCLSA-N 0 0 349.253 4.263 50 30 EIEARN C=CCC(=O)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000012072454 258018243 /nfs/dbraw/zinc/01/82/43/258018243.db2.gz HMMDRGLZFDPTSS-FQEVSTJZSA-N 0 0 335.447 4.012 50 30 EIEARN COc1ccc(CCNC(C)=CC(=O)c2ccc(Cl)cc2)cc1 ZINC000006652157 258052300 /nfs/dbraw/zinc/05/23/00/258052300.db2.gz SGTQXRPXBBOWTG-BUHFOSPRSA-N 0 0 329.827 4.267 50 30 EIEARN Cn1cc(/C=C2\S/C(=N/c3ccccc3)N(C)C2=O)c2ccccc21 ZINC000013546945 258056155 /nfs/dbraw/zinc/05/61/55/258056155.db2.gz ZZHBMQVGDSZTNP-UMWYYCSLSA-N 0 0 347.443 4.412 50 30 EIEARN Cc1c(C)n(C2CCCC2)c(NC(=O)CNc2ccccc2)c1C#N ZINC000032879038 258058347 /nfs/dbraw/zinc/05/83/47/258058347.db2.gz YVSNWYHIIIUCQJ-UHFFFAOYSA-N 0 0 336.439 4.142 50 30 EIEARN CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(OCC#N)cc1 ZINC000069666661 258063641 /nfs/dbraw/zinc/06/36/41/258063641.db2.gz PDBRNIOCWKOASE-INIZCTEOSA-N 0 0 337.423 4.422 50 30 EIEARN COC(=O)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C=CCC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000257346515 258073689 /nfs/dbraw/zinc/07/36/89/258073689.db2.gz NYAVTQHXZMLSRY-GELWCVDJSA-N 0 0 328.452 4.084 50 30 EIEARN COc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ccc(CC#N)cc1)CC3 ZINC000133167760 533235343 /nfs/dbraw/zinc/23/53/43/533235343.db2.gz DZGHAXDTBZIOAW-MRXNPFEDSA-N 0 0 331.419 4.212 50 30 EIEARN C(C#CCOC/C=C\c1ccccc1)#CCOC/C=C/c1ccccc1 ZINC000006192824 518380091 /nfs/dbraw/zinc/38/00/91/518380091.db2.gz LCANUNCCXVNBEB-MJZABRMRSA-N 0 0 342.438 4.453 50 30 EIEARN C=CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000003491698 519032460 /nfs/dbraw/zinc/03/24/60/519032460.db2.gz HQKLOTGDMRWIDO-KRWDZBQOSA-N 0 0 338.451 4.019 50 30 EIEARN C=CCn1c(=O)c2ccccc2nc1SC/C=C\c1ccccc1 ZINC000005830939 519160570 /nfs/dbraw/zinc/16/05/70/519160570.db2.gz NYILYSHBUOQTOM-FLIBITNWSA-N 0 0 334.444 4.388 50 30 EIEARN CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2c(F)cccc2F)cc1 ZINC000036834937 519712495 /nfs/dbraw/zinc/71/24/95/519712495.db2.gz LWOKGHFGPOPSRG-ZHACJKMWSA-N 0 0 344.361 4.391 50 30 EIEARN CCCCCCCCNc1nc(OCC)nc(N2CCCCC2)n1 ZINC000033355348 520039033 /nfs/dbraw/zinc/03/90/33/520039033.db2.gz PPQAINCPMDOFJF-UHFFFAOYSA-N 0 0 335.496 4.033 50 30 EIEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(C)cc1 ZINC000004626419 521168371 /nfs/dbraw/zinc/16/83/71/521168371.db2.gz BUTBGYOWKKIGQB-LPHOPBHVSA-N 0 0 343.467 4.496 50 30 EIEARN CC[C@@H](C)Oc1ccc(CN=Nc2ncccc2[N+](=O)[O-])cc1Cl ZINC000004108790 522260311 /nfs/dbraw/zinc/26/03/11/522260311.db2.gz IMJNBDMNKVMDDO-VURRPDKYSA-N 0 0 348.790 4.267 50 30 EIEARN CO[C@@H](C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1 ZINC000069581102 523334795 /nfs/dbraw/zinc/33/47/95/523334795.db2.gz KCIHZVZIDNFLIR-KBXCAEBGSA-N 0 0 340.448 4.265 50 30 EIEARN COc1ccc(/C=C/C(=O)C2CC2)cc1COc1ccccc1F ZINC000000443036 523381913 /nfs/dbraw/zinc/38/19/13/523381913.db2.gz UWSRJICNKVEMAG-UXBLZVDNSA-N 0 0 326.367 4.406 50 30 EIEARN COc1ccc(C(=O)C=C(C)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000005092657 523536648 /nfs/dbraw/zinc/53/66/48/523536648.db2.gz QGIQXTIQZVPSKC-PKNBQFBNSA-N 0 0 346.770 4.455 50 30 EIEARN N#Cc1ccc(F)c(CNc2ccn(-c3ccccc3Cl)n2)c1 ZINC000132045436 534787971 /nfs/dbraw/zinc/78/79/71/534787971.db2.gz PXUWVZISVRBLRK-UHFFFAOYSA-N 0 0 326.762 4.149 50 30 EIEARN Cc1ccc(N(CCC#N)C(=O)CSc2ccc(F)cc2)cc1 ZINC000002625169 524898631 /nfs/dbraw/zinc/89/86/31/524898631.db2.gz HPNFHBHQMIBZDC-UHFFFAOYSA-N 0 0 328.412 4.173 50 30 EIEARN COc1cccc(Nc2nnc(S[C@H]3CC[C@@H](C#N)C3)s2)c1 ZINC000253428899 526213296 /nfs/dbraw/zinc/21/32/96/526213296.db2.gz LOUGKXLLRDJHMP-MFKMUULPSA-N 0 0 332.454 4.075 50 30 EIEARN N#CC1(NC(=O)CNc2ccccc2Cc2ccccc2)CCCCC1 ZINC000025896003 526435215 /nfs/dbraw/zinc/43/52/15/526435215.db2.gz UUEBMCHWJHGIGG-UHFFFAOYSA-N 0 0 347.462 4.032 50 30 EIEARN N=C(NOC(=O)c1cc2c(s1)CCCCC2)c1cccc(Cl)c1 ZINC000014074963 526808647 /nfs/dbraw/zinc/80/86/47/526808647.db2.gz ZLIUWHNSJXRLFA-UHFFFAOYSA-N 0 0 348.855 4.148 50 30 EIEARN N=C(Cc1cccs1)NOC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000004394981 526813899 /nfs/dbraw/zinc/81/38/99/526813899.db2.gz JHCYZEMGUGKKIU-UHFFFAOYSA-N 0 0 344.223 4.118 50 30 EIEARN O=[N+]([O-])c1ccc(CC=CN=Nc2nc(-c3ccccc3)cs2)o1 ZINC000004475400 527344564 /nfs/dbraw/zinc/34/45/64/527344564.db2.gz PDTCPYAEIXYZSX-CUQLSPFUSA-N 0 0 340.364 4.422 50 30 EIEARN O=[N+]([O-])c1cccc(-c2csc(N=NC[C@@H]3CC=CCC3)n2)c1 ZINC000000380522 527383505 /nfs/dbraw/zinc/38/35/05/527383505.db2.gz GJPORIPLTWWJBY-YXHQGMJNSA-N 0 0 328.397 4.472 50 30 EIEARN CCN(C(=O)c1ccc(-n2nc(C)cc2C)cc1)c1ccc(C#N)cc1 ZINC000174078772 529079016 /nfs/dbraw/zinc/07/90/16/529079016.db2.gz CEUDIESZEUSMHM-UHFFFAOYSA-N 0 0 344.418 4.028 50 30 EIEARN N#Cc1c(Cl)nc(N=NCc2ccccc2)c(Cl)c1Cl ZINC000032929304 563837575 /nfs/dbraw/zinc/83/75/75/563837575.db2.gz KYQWHMPSDLOJMD-WSVATBPTSA-N 0 0 325.586 4.359 50 30 EIEARN CCCC(=NOCC)C1C(=O)CC([C@@H]2CCCSC2)CC1=O ZINC000026978387 563894024 /nfs/dbraw/zinc/89/40/24/563894024.db2.gz GGWHBJGBERXSLL-DTBJURTMSA-N 0 0 325.474 4.113 50 30 in-vitro EIEARN Cc1cccc(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)n1 ZINC000000547570 564022789 /nfs/dbraw/zinc/02/27/89/564022789.db2.gz YWTOOJXJRRVMAK-CAOOACKPSA-N 0 0 339.251 4.017 50 30 EIEARN CC(=CC(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000108456379 564028262 /nfs/dbraw/zinc/02/82/62/564028262.db2.gz QNFWKCOBQQVTRC-LAUIRUGDSA-N 0 0 328.721 4.286 50 30 EIEARN COc1ccc(Br)cc1/C=C1/Cc2ccccc2C1=O ZINC000033421096 564085860 /nfs/dbraw/zinc/08/58/60/564085860.db2.gz UHWAEMPLKXEYFL-LCYFTJDESA-N 0 0 329.193 4.280 50 30 EIEARN O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1N2 ZINC000000106562 563227930 /nfs/dbraw/zinc/22/79/30/563227930.db2.gz JEDFRJDMGGZTKD-IBGZPJMESA-N 0 0 335.363 4.181 50 30 EIEARN NC(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000000293775 563274134 /nfs/dbraw/zinc/27/41/34/563274134.db2.gz NYPSKVBOTLOMNX-OEAKJJBVSA-N 0 0 330.387 4.115 50 30 EIEARN CSc1sc(C(=O)/C=C/N(C)C)c(-c2ccccc2)c1C#N ZINC000001038545 563369705 /nfs/dbraw/zinc/36/97/05/563369705.db2.gz XTWBYRXAPMBMLV-MDZDMXLPSA-N 0 0 328.462 4.267 50 30 EIEARN Cc1nn(Cc2ccccc2)c(C)c1/C=C1/Cc2c(cccc2O)C1=O ZINC000071887443 563389624 /nfs/dbraw/zinc/38/96/24/563389624.db2.gz LPWYWQAVNVPMKW-BOPFTXTBSA-N 0 0 344.414 4.076 50 30 EIEARN Cc1nn2c(nc(C)cc2SCC#N)c1-c1ccc(Cl)cc1 ZINC000002201827 563426667 /nfs/dbraw/zinc/42/66/67/563426667.db2.gz KOGWNNKAWGJUOO-UHFFFAOYSA-N 0 0 328.828 4.282 50 30 EIEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccccc1 ZINC000002338211 563429671 /nfs/dbraw/zinc/42/96/71/563429671.db2.gz CMFFJLWRCKJZJH-GIJQJNRQSA-N 0 0 349.246 4.423 50 30 EIEARN Cc1ccc(N2CCN(/N=C\c3cccc(Cl)c3Cl)CC2)cc1 ZINC000004663750 563507018 /nfs/dbraw/zinc/50/70/18/563507018.db2.gz TVEWUNAZSQUYBC-BKUYFWCQSA-N 0 0 348.277 4.458 50 30 EIEARN O=C(/C=C/c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000005749694 563549087 /nfs/dbraw/zinc/54/90/87/563549087.db2.gz GOFJFVSTIONMNW-BQYQJAHWSA-N 0 0 332.153 4.253 50 30 EIEARN Cc1cc(C(F)(F)F)nc(NC(=N)Nc2ccc3ccccc3c2)n1 ZINC000006275704 563563628 /nfs/dbraw/zinc/56/36/28/563563628.db2.gz DRBWNOOKWQXRBW-UHFFFAOYSA-N 0 0 345.328 4.015 50 30 EIEARN COc1ccc2ccccc2c1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000002744660 563611174 /nfs/dbraw/zinc/61/11/74/563611174.db2.gz BTAWTVFWLMFLHR-XQNSMLJCSA-N 0 0 346.430 4.436 50 30 EIEARN COCCCNC(=S)Nc1cc2oc3ccccc3c2cc1OC ZINC000002770917 563614211 /nfs/dbraw/zinc/61/42/11/563614211.db2.gz JHOLIIJXPKFTSJ-UHFFFAOYSA-N 0 0 344.436 4.329 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N1C(=O)c3ccccc3[C@@H]21 ZINC000008671443 563634973 /nfs/dbraw/zinc/63/49/73/563634973.db2.gz NVMSWIDDCFQLBN-FQEVSTJZSA-N 0 0 344.414 4.457 50 30 EIEARN N#Cc1sc(Nc2ccccc2)c(-c2nc3ccccc3[nH]2)c1N ZINC000012967240 563678898 /nfs/dbraw/zinc/67/88/98/563678898.db2.gz ZRDXOMSXEOJBDD-UHFFFAOYSA-N 0 0 331.404 4.489 50 30 EIEARN C=C(C)CN(CC)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000032753448 563727302 /nfs/dbraw/zinc/72/73/02/563727302.db2.gz UNNLKLWPCROBRG-UHFFFAOYSA-N 0 0 325.383 4.095 50 30 EIEARN Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000060062659 563767338 /nfs/dbraw/zinc/76/73/38/563767338.db2.gz AJFHEMMMNSLTNG-OUKQBFOZSA-N 0 0 347.374 4.293 50 30 EIEARN Cc1cc(C)cc(/N=C2\C(=O)Nc3ccc(Br)cc32)c1 ZINC000017067413 563831620 /nfs/dbraw/zinc/83/16/20/563831620.db2.gz GFTULGZAQKIRLM-UHFFFAOYSA-N 0 0 329.197 4.139 50 30 EIEARN O=C(Cc1nc2ccccc2[nH]c1=O)c1ccc(Br)cc1 ZINC000017731095 563845503 /nfs/dbraw/zinc/84/55/03/563845503.db2.gz ZKPCHDPKKSSUOC-NTEUORMPSA-N 0 0 343.180 4.229 50 30 EIEARN Cc1cc(NCCc2ccc(O)cc2)n2c3ccccc3nc2c1C#N ZINC000072018836 563860520 /nfs/dbraw/zinc/86/05/20/563860520.db2.gz AMWJXSLCUDWNIQ-UHFFFAOYSA-N 0 0 342.402 4.028 50 30 EIEARN N#C[C@H](c1ccccc1)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)c1 ZINC000072297924 563912672 /nfs/dbraw/zinc/91/26/72/563912672.db2.gz SHXKECXFMFVRIM-SJORKVTESA-N 0 0 339.826 4.037 50 30 EIEARN Cn1cc(/C=C\C(=O)c2ccc(Cl)s2)c(-c2ccncc2)n1 ZINC000066405322 563930653 /nfs/dbraw/zinc/93/06/53/563930653.db2.gz ALUSHIXEASHTDG-IHWYPQMZSA-N 0 0 329.812 4.093 50 30 EIEARN O=C(/C=C1\SCC(=O)N1c1ccccc1)c1ccc(Cl)cc1 ZINC000063598751 563955600 /nfs/dbraw/zinc/95/56/00/563955600.db2.gz FJTCKKAPYQGXMV-YVLHZVERSA-N 0 0 329.808 4.144 50 30 EIEARN Cc1cc(/N=C/c2c(O)ccc3ccccc32)ccc1N1CCOCC1 ZINC000067321422 563962229 /nfs/dbraw/zinc/96/22/29/563962229.db2.gz NXMAWQCNTTWNMT-HZHRSRAPSA-N 0 0 346.430 4.441 50 30 EIEARN C[C@@H](Sc1ccccn1)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000096793737 563962416 /nfs/dbraw/zinc/96/24/16/563962416.db2.gz ZMMMJBDXLJPZME-VVTMIQRTSA-N 0 0 338.476 4.443 50 30 EIEARN CC(=C\c1ccccc1)/C=N\N1CCN(Cc2ccc(C)cc2)CC1 ZINC000033089331 563963482 /nfs/dbraw/zinc/96/34/82/563963482.db2.gz UOHOVYKBZWJONO-CSEVQEJTSA-N 0 0 333.479 4.202 50 30 EIEARN C=CCn1c(SCc2ccncc2)nnc1-c1cccc(Cl)c1 ZINC000059794690 563973305 /nfs/dbraw/zinc/97/33/05/563973305.db2.gz DQLYOEVMQKSBNJ-UHFFFAOYSA-N 0 0 342.855 4.472 50 30 EIEARN CNc1ccccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)c1=O ZINC000033383566 563983111 /nfs/dbraw/zinc/98/31/11/563983111.db2.gz DWZQLMVAPYSVIT-CLFYSBASSA-N 0 0 334.202 4.291 50 30 EIEARN O=C1CCCC2=C1[C@@H](c1cccnc1)c1c(ccc3ncccc31)N2 ZINC000000108705 563986571 /nfs/dbraw/zinc/98/65/71/563986571.db2.gz RUDCCLIPHPGVJJ-IBGZPJMESA-N 0 0 327.387 4.194 50 30 EIEARN COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000000141561 563987099 /nfs/dbraw/zinc/98/70/99/563987099.db2.gz WAJHSQFXEXVMCX-DHZHZOJOSA-N 0 0 338.432 4.159 50 30 EIEARN CCOc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000000187415 563987988 /nfs/dbraw/zinc/98/79/88/563987988.db2.gz JAABHXGTQGMAPU-UHFFFAOYSA-N 0 0 349.415 4.333 50 30 EIEARN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)CC#N ZINC000158375708 563988303 /nfs/dbraw/zinc/98/83/03/563988303.db2.gz YKXFHWGXKGWBGV-AWEZNQCLSA-N 0 0 334.379 4.083 50 30 EIEARN CC(C)CO[C@H](C)c1noc(CSc2cccc(F)c2C#N)n1 ZINC000408518343 563993064 /nfs/dbraw/zinc/99/30/64/563993064.db2.gz BPMUIPVDLWEVQJ-LLVKDONJSA-N 0 0 335.404 4.106 50 30 EIEARN C=CC[C@H](CC)NC(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000241930368 563995887 /nfs/dbraw/zinc/99/58/87/563995887.db2.gz UIABHONPVBYKNP-AWEZNQCLSA-N 0 0 341.411 4.317 50 30 EIEARN CCOC(=O)c1oc2ccccc2c1CN(CC#N)c1ccccc1 ZINC000062580291 563996064 /nfs/dbraw/zinc/99/60/64/563996064.db2.gz MMRFNPXAKIWRSF-UHFFFAOYSA-N 0 0 334.375 4.140 50 30 EIEARN CCOC(=O)c1c(N=Cc2ccc([N+](=O)[O-])o2)sc2c1CCCC2 ZINC000252635500 563998022 /nfs/dbraw/zinc/99/80/22/563998022.db2.gz WXGFLLJDVCHWOZ-UHFFFAOYSA-N 0 0 348.380 4.055 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccccc1Cl ZINC000000428103 563998852 /nfs/dbraw/zinc/99/88/52/563998852.db2.gz KANHWBFBHPFEDX-KBXCAEBGSA-N 0 0 344.794 4.252 50 30 EIEARN C=CCSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000005231439 564001384 /nfs/dbraw/zinc/00/13/84/564001384.db2.gz XSPFTULIHLIDMT-UHFFFAOYSA-N 0 0 328.824 4.317 50 30 EIEARN N#C[C@H](C(=O)c1cccn1C1CC1)c1nc2ccccc2n1C(F)F ZINC000181427319 564015900 /nfs/dbraw/zinc/01/59/00/564015900.db2.gz VKUBTMOOKZSJGH-GFCCVEGCSA-N 0 0 340.333 4.058 50 30 EIEARN O=C1CCCC2=C1[C@H](c1cccs1)c1cc3c(cc1N2)OCO3 ZINC000018196690 564018683 /nfs/dbraw/zinc/01/86/83/564018683.db2.gz YRPXWCSLSQOXRR-KRWDZBQOSA-N 0 0 325.389 4.041 50 30 EIEARN COc1cc2c(cc1OC)[C@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000018197143 564018695 /nfs/dbraw/zinc/01/86/95/564018695.db2.gz CTQSZDVIZCCTIF-FQEVSTJZSA-N 0 0 335.403 4.268 50 30 EIEARN N#Cc1cc([N+](=O)[O-])ccc1NCCNc1cccc2ccccc21 ZINC000005699045 564019320 /nfs/dbraw/zinc/01/93/20/564019320.db2.gz PNECWUMIGQOFHF-UHFFFAOYSA-N 0 0 332.363 4.144 50 30 EIEARN O=C1CCCC2=C1C1(C[C@H]3c4ccccc4CCN23)SCCS1 ZINC000000519214 564020528 /nfs/dbraw/zinc/02/05/28/564020528.db2.gz DWJVNFIPXHDTCZ-INIZCTEOSA-N 0 0 343.517 4.173 50 30 biogenic EIEARN CCCCCCCC(=S)NCS(=O)(=O)c1ccc(C)cc1 ZINC000102993892 564021164 /nfs/dbraw/zinc/02/11/64/564021164.db2.gz QBBAADFCLXEFTC-UHFFFAOYSA-N 0 0 327.515 4.004 50 30 EIEARN CC(C)(C)c1ccc(-c2nc(C#N)c(NC[C@@H]3CCCO3)o2)cc1 ZINC000000546836 564022746 /nfs/dbraw/zinc/02/27/46/564022746.db2.gz VDGMHHMOMROGMV-HNNXBMFYSA-N 0 0 325.412 4.102 50 30 EIEARN N#Cc1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)c(Cl)c1 ZINC000029393883 564025876 /nfs/dbraw/zinc/02/58/76/564025876.db2.gz ZCEKGVSQQNJBHO-UHFFFAOYSA-N 0 0 346.173 4.494 50 30 EIEARN CC(C)[C@H](C)NC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000048319997 564030900 /nfs/dbraw/zinc/03/09/00/564030900.db2.gz BKZZCORMDSBVMF-HNNXBMFYSA-N 0 0 337.423 4.303 50 30 EIEARN C=CCOc1ccc(/C=C2\SC(=S)N(CCCC)C2=O)cc1 ZINC000002678072 564032999 /nfs/dbraw/zinc/03/29/99/564032999.db2.gz VKWVTIOKQAOKGD-QINSGFPZSA-N 0 0 333.478 4.253 50 30 EIEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000024871107 564034188 /nfs/dbraw/zinc/03/41/88/564034188.db2.gz UYUGISHXFORCQU-CQSZACIVSA-N 0 0 342.398 4.216 50 30 EIEARN COc1ccccc1-c1nc(C#N)c(NCc2ccccc2Cl)o1 ZINC000001049980 564054241 /nfs/dbraw/zinc/05/42/41/564054241.db2.gz XBEMKQZMNHXJDX-UHFFFAOYSA-N 0 0 339.782 4.487 50 30 EIEARN O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1cccc(F)c1 ZINC000082098451 564056240 /nfs/dbraw/zinc/05/62/40/564056240.db2.gz ACYBWLXXOQTKIY-MRXNPFEDSA-N 0 0 348.443 4.156 50 30 EIEARN O=C1c2ccccc2C(=O)C(Sc2nc3ccccc3[nH]2)=C1Cl ZINC000005908719 564056922 /nfs/dbraw/zinc/05/69/22/564056922.db2.gz VKFRLAICXCFOLL-UHFFFAOYSA-N 0 0 340.791 4.185 50 30 EIEARN COc1ccc(-c2cnc(SCC#N)n2-c2ccccc2C)cc1 ZINC000044086719 564059520 /nfs/dbraw/zinc/05/95/20/564059520.db2.gz JGXBZJLJJBWDKS-UHFFFAOYSA-N 0 0 335.432 4.472 50 30 EIEARN COc1ccnc(Nc2ccc(OCc3ccccc3)cc2)c1C#N ZINC000001387796 564064273 /nfs/dbraw/zinc/06/42/73/564064273.db2.gz PPTLRLKMTBVJOG-UHFFFAOYSA-N 0 0 331.375 4.284 50 30 EIEARN C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(SC)ccc1Cl ZINC000060163556 564065535 /nfs/dbraw/zinc/06/55/35/564065535.db2.gz IODHPHLFOFHGLV-UHFFFAOYSA-N 0 0 347.842 4.477 50 30 EIEARN C=CCn1c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2oc1=O ZINC000064894683 564066654 /nfs/dbraw/zinc/06/66/54/564066654.db2.gz VGDSFPKAVOJVKN-UHFFFAOYSA-N 0 0 336.391 4.156 50 30 EIEARN CC[C@H]1C[C@@H](NC(C)=O)C[C@@H](c2ccccc2C#Cc2ccccc2)O1 ZINC000065436269 564066783 /nfs/dbraw/zinc/06/67/83/564066783.db2.gz YWJCSNOXHNWGFI-GIWBLDEGSA-N 0 0 347.458 4.221 50 30 EIEARN Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000084281762 564067575 /nfs/dbraw/zinc/06/75/75/564067575.db2.gz HRJBTVBIMQGPPL-UHFFFAOYSA-N 0 0 349.459 4.429 50 30 EIEARN C=CCOc1ccc(CNc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000084638177 564069290 /nfs/dbraw/zinc/06/92/90/564069290.db2.gz RGZOSSZDRAHKEW-UHFFFAOYSA-N 0 0 340.814 4.098 50 30 EIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1ccccc1C ZINC000012776702 564069548 /nfs/dbraw/zinc/06/95/48/564069548.db2.gz VAHVCQMKRFQERR-AWEZNQCLSA-N 0 0 333.391 4.050 50 30 EIEARN C#CCC[C@@H](CC)OC(=O)c1csc(Cc2ccccc2F)n1 ZINC000084727828 564069851 /nfs/dbraw/zinc/06/98/51/564069851.db2.gz PXAMGMHUIFZIFJ-CQSZACIVSA-N 0 0 331.412 4.222 50 30 EIEARN COc1cc(C(=O)Oc2ccccc2C#N)cc(Cl)c1OC(C)C ZINC000015656963 564070007 /nfs/dbraw/zinc/07/00/07/564070007.db2.gz GDSJBLZLDXVLEZ-UHFFFAOYSA-N 0 0 345.782 4.227 50 30 EIEARN Cc1sc2nc(S[C@@H](C)C#N)n(C3CCCC3)c(=O)c2c1C ZINC000012802475 564072467 /nfs/dbraw/zinc/07/24/67/564072467.db2.gz JPLMVRYZNLEBPR-VIFPVBQESA-N 0 0 333.482 4.194 50 30 EIEARN C=CCN1C(=O)S/C(=C/c2ccc(OC(C)C)c(Cl)c2)C1=O ZINC000000981676 564074638 /nfs/dbraw/zinc/07/46/38/564074638.db2.gz HZHBGIXRUIWNKR-NTEUORMPSA-N 0 0 337.828 4.350 50 30 EIEARN C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000002469580 564074855 /nfs/dbraw/zinc/07/48/55/564074855.db2.gz DBLPQZXLZRPLNV-CYBMUJFWSA-N 0 0 343.810 4.232 50 30 EIEARN C[C@@H](CC#N)N(C)C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000086282528 564075534 /nfs/dbraw/zinc/07/55/34/564075534.db2.gz IRFUYOVKVSDVKL-AWEZNQCLSA-N 0 0 341.386 4.171 50 30 EIEARN O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccnc(Cl)c1 ZINC000030929789 564079328 /nfs/dbraw/zinc/07/93/28/564079328.db2.gz SZOVQNOLLUPFHB-UHFFFAOYSA-N 0 0 338.819 4.449 50 30 EIEARN Cc1nnc(COc2ccc(Oc3ccc(C#N)cc3)cc2)n1C1CC1 ZINC000091598410 564087777 /nfs/dbraw/zinc/08/77/77/564087777.db2.gz HWIJQGWBUFSTLT-UHFFFAOYSA-N 0 0 346.390 4.164 50 30 EIEARN C=C1C[C@@H]2[C@H]3CC[C@@](O)(C(C)=O)[C@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000253499209 564089490 /nfs/dbraw/zinc/08/94/90/564089490.db2.gz JKPFAFOFFYRBDB-BXOMYGOZSA-N 0 0 342.479 4.005 50 30 EIEARN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253497966 564089498 /nfs/dbraw/zinc/08/94/98/564089498.db2.gz SDLIPEORADMQOU-OWQNAKTJSA-N 0 0 326.436 4.002 50 30 EIEARN CC(=O)O[C@H]1CC[C@@H]2[C@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]21C ZINC000253497965 564089506 /nfs/dbraw/zinc/08/95/06/564089506.db2.gz SDLIPEORADMQOU-COXXTLHVSA-N 0 0 326.436 4.002 50 30 EIEARN c1nc2sc3c(c2c(N=NC2C4CC5CC(C4)CC2C5)n1)CCC3 ZINC000006510256 564091274 /nfs/dbraw/zinc/09/12/74/564091274.db2.gz BOPMVFIYPOKBSX-UHFFFAOYSA-N 0 0 338.480 4.404 50 30 EIEARN CCOC(=O)c1ccc(Nc2c(C#N)cnc3c(F)cccc32)cc1 ZINC000064438805 564091310 /nfs/dbraw/zinc/09/13/10/564091310.db2.gz RRGQOYPZAKWCNG-UHFFFAOYSA-N 0 0 335.338 4.166 50 30 EIEARN CCc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc32)cc1 ZINC000064438637 564091316 /nfs/dbraw/zinc/09/13/16/564091316.db2.gz HLURNMSMPHQXLV-UHFFFAOYSA-N 0 0 333.391 4.430 50 30 EIEARN COCc1cc(/C=C/C(=O)c2cccc(OC(F)F)c2)ccc1OC ZINC000006640928 564095067 /nfs/dbraw/zinc/09/50/67/564095067.db2.gz HCZJAGXFDRTENT-SOFGYWHQSA-N 0 0 348.345 4.339 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1cccc(Cl)c1 ZINC000006758386 564097288 /nfs/dbraw/zinc/09/72/88/564097288.db2.gz HUCDVQSVPBEBKM-QAPCUYQASA-N 0 0 344.794 4.252 50 30 EIEARN COc1cccc(-c2[nH]c3c(C#N)cnn3c2NC2CCC(C)CC2)c1 ZINC000006768551 564097420 /nfs/dbraw/zinc/09/74/20/564097420.db2.gz XZBCPQYHAJWNQN-UHFFFAOYSA-N 0 0 349.438 4.200 50 30 EIEARN COc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCC(C)CC2)cc1 ZINC000006768561 564097437 /nfs/dbraw/zinc/09/74/37/564097437.db2.gz HRMVLBWPNZWCDY-UHFFFAOYSA-N 0 0 349.438 4.200 50 30 EIEARN C=CCSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000006834499 564099263 /nfs/dbraw/zinc/09/92/63/564099263.db2.gz XECQTRVJAMGORY-UHFFFAOYSA-N 0 0 346.264 4.375 50 30 EIEARN Cc1ccc(-n2c(S[C@H](C)C#N)nnc2-c2ccccc2F)cc1 ZINC000006865507 564100063 /nfs/dbraw/zinc/10/00/63/564100063.db2.gz GZVKXBIFTRRXDW-CYBMUJFWSA-N 0 0 338.411 4.386 50 30 EIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000007061547 564104486 /nfs/dbraw/zinc/10/44/86/564104486.db2.gz KRLLTZRYJUQCLN-UHFFFAOYSA-N 0 0 339.782 4.465 50 30 EIEARN O=c1[nH]c(Cl)c(C=NN(Cc2ccccc2)c2ccccc2)s1 ZINC000238937243 564105768 /nfs/dbraw/zinc/10/57/68/564105768.db2.gz UQPMFCXGMKBVPL-UHFFFAOYSA-N 0 0 343.839 4.131 50 30 EIEARN Cc1sc(NC(=O)c2cc(Br)cs2)c(C#N)c1C ZINC000013327841 564111605 /nfs/dbraw/zinc/11/16/05/564111605.db2.gz SUXWTRXKMIFYCO-UHFFFAOYSA-N 0 0 341.255 4.313 50 30 EIEARN COc1ccc(/C=C2\Oc3ccc(Br)cc3C2=O)cc1 ZINC000016734250 564112875 /nfs/dbraw/zinc/11/28/75/564112875.db2.gz XKJSSWKYGXXJBE-NVNXTCNLSA-N 0 0 331.165 4.074 50 30 biogenic,in-vitro EIEARN C[C@H](C#N)CSc1ccccc1NC(=O)C(F)(F)c1ccccn1 ZINC000089904128 564114991 /nfs/dbraw/zinc/11/49/91/564114991.db2.gz LLGIRBCACFUVPG-GFCCVEGCSA-N 0 0 347.390 4.064 50 30 EIEARN CCCOc1cc(C)ccc1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000089960274 564115853 /nfs/dbraw/zinc/11/58/53/564115853.db2.gz XNXADZMOOFXBHJ-UHFFFAOYSA-N 0 0 348.406 4.318 50 30 EIEARN CC(=NN1C(=S)N=NC1c1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000252394561 564118349 /nfs/dbraw/zinc/11/83/49/564118349.db2.gz SHUHVVPCLSOLHK-UHFFFAOYSA-N 0 0 342.855 4.468 50 30 EIEARN O=C1C(=Nc2cc(Cl)cc(Cl)c2)c2cccc3c2N1CCC3 ZINC000252460433 564118652 /nfs/dbraw/zinc/11/86/52/564118652.db2.gz FIFYPHPMLGYWIZ-UHFFFAOYSA-N 0 0 331.202 4.407 50 30 EIEARN Cc1ccc(/C=C/C(=O)c2ccc(I)cc2)o1 ZINC000012693503 564120048 /nfs/dbraw/zinc/12/00/48/564120048.db2.gz QHFUUNIPIUJQBD-CMDGGOBGSA-N 0 0 338.144 4.089 50 30 EIEARN COC[C@@H](Nc1cc(C)c(C#N)c2nc3ccccc3n21)c1ccco1 ZINC000170654205 564120913 /nfs/dbraw/zinc/12/09/13/564120913.db2.gz ROEGAKRIHGKUTL-MRXNPFEDSA-N 0 0 346.390 4.060 50 30 EIEARN C(=NN=C(Cc1nc2ccccc2[nH]1)c1ccccc1)c1ccco1 ZINC000252591370 564120946 /nfs/dbraw/zinc/12/09/46/564120946.db2.gz BAPRHCQKLQVJSN-UHFFFAOYSA-N 0 0 328.375 4.222 50 30 EIEARN Cc1cc(-c2ccccc2)nc(N=NC(C)c2cccc([N+](=O)[O-])c2)n1 ZINC000252593869 564121075 /nfs/dbraw/zinc/12/10/75/564121075.db2.gz BNRNKYTWMZCIKY-UHFFFAOYSA-N 0 0 347.378 4.196 50 30 EIEARN O=C(COc1ccc(Cl)cc1)ON=C1CCSc2ccccc21 ZINC000252594006 564121082 /nfs/dbraw/zinc/12/10/82/564121082.db2.gz BOIUDKWFPGDZDC-UHFFFAOYSA-N 0 0 347.823 4.162 50 30 EIEARN CN1c2ccccc2C(=NN(Cc2ccccc2)c2ccccc2)C1=O ZINC000252612257 564121843 /nfs/dbraw/zinc/12/18/43/564121843.db2.gz IRASPVCOWBUKRA-UHFFFAOYSA-N 0 0 341.414 4.074 50 30 EIEARN COc1ccc(C(C)=NOC(=O)c2ccc(Br)cc2)cc1 ZINC000252614284 564121992 /nfs/dbraw/zinc/12/19/92/564121992.db2.gz JIKXUGIXGBMUTL-UHFFFAOYSA-N 0 0 348.196 4.039 50 30 EIEARN C=CCSc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000007709638 564122146 /nfs/dbraw/zinc/12/21/46/564122146.db2.gz PUABRWXIPCMCPL-UHFFFAOYSA-N 0 0 339.869 4.419 50 30 EIEARN O=C1/C(=C/c2ccsc2)SC(=S)N1N=Cc1ccsc1 ZINC000252620441 564122367 /nfs/dbraw/zinc/12/23/67/564122367.db2.gz MEHGHKIDHQPFIN-UUVSUIKQSA-N 0 0 336.488 4.045 50 30 EIEARN N#Cc1c2c(sc1N=Cc1ccc(Cl)c([N+](=O)[O-])c1)CCC2 ZINC000252620504 564122354 /nfs/dbraw/zinc/12/23/54/564122354.db2.gz MFCLCPANPYERRS-UHFFFAOYSA-N 0 0 331.784 4.421 50 30 EIEARN C(=Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc2c(c1)OCO2 ZINC000252627746 564123392 /nfs/dbraw/zinc/12/33/92/564123392.db2.gz SATFSCXYZGSCOS-UHFFFAOYSA-N 0 0 343.342 4.369 50 30 EIEARN C[C@@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000195542193 564123679 /nfs/dbraw/zinc/12/36/79/564123679.db2.gz INLUBLYHKVOUGL-SNVBAGLBSA-N 0 0 336.288 4.207 50 30 EIEARN Cn1cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)c2ccccc21 ZINC000252644113 564124762 /nfs/dbraw/zinc/12/47/62/564124762.db2.gz ZZHBMQVGDSZTNP-MORMLQEESA-N 0 0 347.443 4.412 50 30 EIEARN C#Cc1cncc(C(=O)Nc2ccccc2Oc2ccc(C)cc2)c1 ZINC000253417865 564130875 /nfs/dbraw/zinc/13/08/75/564130875.db2.gz QUQXMUNVMRLMBJ-UHFFFAOYSA-N 0 0 328.371 4.416 50 30 EIEARN COc1ccc([C@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)CCC3)cc1 ZINC000002324743 564132312 /nfs/dbraw/zinc/13/23/12/564132312.db2.gz OJUSJFHTKNRQGR-GOSISDBHSA-N 0 0 347.414 4.223 50 30 EIEARN Cc1[nH]c(=S)c(C#N)c(-c2cccnc2)c1C(=O)c1ccccc1 ZINC000002339805 564132415 /nfs/dbraw/zinc/13/24/15/564132415.db2.gz UYXSKIQKELALQP-UHFFFAOYSA-N 0 0 331.400 4.217 50 30 EIEARN C[C@]1([C@@H]2CC[C@@H]3[C@@H]4CC(=O)[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)CO1 ZINC000253499731 564132754 /nfs/dbraw/zinc/13/27/54/564132754.db2.gz MXNIOJVTFHRXCI-KHSDKHCCSA-N 0 0 344.495 4.182 50 30 EIEARN N#Cc1ccc(CNC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000097729 564132808 /nfs/dbraw/zinc/13/28/08/564132808.db2.gz AOFOUPKNYVLWIL-UHFFFAOYSA-N 0 0 336.247 4.352 50 30 EIEARN N#Cc1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CCCC2 ZINC000000238350 564133056 /nfs/dbraw/zinc/13/30/56/564133056.db2.gz OOGSKKWPYNSXBI-UHFFFAOYSA-N 0 0 346.839 4.169 50 30 EIEARN C[C@H]1C[C@H](C)CN(c2oc(COc3ccccc3Cl)nc2C#N)C1 ZINC000000618878 564133482 /nfs/dbraw/zinc/13/34/82/564133482.db2.gz WYRLOBUVSHWFSW-STQMWFEESA-N 0 0 345.830 4.261 50 30 EIEARN Cc1ccccc1NC(=O)c1cn2c3ccccc3nc2c(C#N)c1C ZINC000002360625 564133605 /nfs/dbraw/zinc/13/36/05/564133605.db2.gz LJYDATBQQUCGRQ-UHFFFAOYSA-N 0 0 340.386 4.228 50 30 EIEARN COc1cccc(C(=O)O/N=C(\C)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000012350678 564135215 /nfs/dbraw/zinc/13/52/15/564135215.db2.gz FWHQLNQEJVBFLP-QPMAMFFCSA-N 0 0 327.355 4.171 50 30 EIEARN COc1ccc(-c2c(C)sc(NC(=O)c3cccnc3)c2C#N)cc1 ZINC000013328108 564136234 /nfs/dbraw/zinc/13/62/34/564136234.db2.gz WMAHTJXETVLUNP-UHFFFAOYSA-N 0 0 349.415 4.251 50 30 EIEARN Cc1cccc(CC(=O)Nc2cccc3c2OCC[C@@H]3O)c1Cl ZINC000328588330 564136639 /nfs/dbraw/zinc/13/66/39/564136639.db2.gz NWCRFXPUIZFEAK-HNNXBMFYSA-N 0 0 331.799 4.295 50 30 EIEARN CC[C@@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)NCc1ccccc1 ZINC000328592496 564136722 /nfs/dbraw/zinc/13/67/22/564136722.db2.gz YVLCNDSMGOMWJN-QGZVFWFLSA-N 0 0 345.826 4.361 50 30 EIEARN COc1ccc(/C=C/C=C/C(=O)c2cc3ccccc3oc2=O)cc1 ZINC000390834947 564138980 /nfs/dbraw/zinc/13/89/80/564138980.db2.gz UWOCUKHQSQQGKF-JHMJBTLWSA-N 0 0 332.355 4.254 50 30 EIEARN N#CCc1ccc(NCc2ccccc2OCc2cccnc2)cc1 ZINC000095352965 564139259 /nfs/dbraw/zinc/13/92/59/564139259.db2.gz ZOMFUNOUTZUNRH-UHFFFAOYSA-N 0 0 329.403 4.339 50 30 EIEARN CC(C)n1cc(C(=O)/C=C\C2=Cc3cc(Cl)ccc3OC2)cn1 ZINC000096035627 564145110 /nfs/dbraw/zinc/14/51/10/564145110.db2.gz GTTPMVPJAVWILA-HYXAFXHYSA-N 0 0 328.799 4.332 50 30 EIEARN Cc1ccc(F)c(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000096409378 564147518 /nfs/dbraw/zinc/14/75/18/564147518.db2.gz RGOKTLTUJBNGSD-UHFFFAOYSA-N 0 0 343.242 4.091 50 30 EIEARN CCc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C#N)c3N2)s1 ZINC000002747884 564152437 /nfs/dbraw/zinc/15/24/37/564152437.db2.gz NWPUUVVZNBQRDQ-PWSUYJOCSA-N 0 0 326.347 4.039 50 30 EIEARN COc1cc(C#N)cc(Br)c1OC/C=C/c1ccccc1 ZINC000002879508 564152883 /nfs/dbraw/zinc/15/28/83/564152883.db2.gz PNLZFFAAINEFTE-VMPITWQZSA-N 0 0 344.208 4.422 50 30 EIEARN N#Cc1ccc(-c2ccc(F)cc2)n(Cc2ccc(Cl)cc2)c1=O ZINC000003125669 564155290 /nfs/dbraw/zinc/15/52/90/564155290.db2.gz LAHWGZOZBHHZPT-UHFFFAOYSA-N 0 0 338.769 4.228 50 30 EIEARN Cc1nc(C)c([C@@H](C)OC(=O)CSCc2ccc(C#N)cc2)s1 ZINC000058015602 564157160 /nfs/dbraw/zinc/15/71/60/564157160.db2.gz QONKZSJXTSSFEA-GFCCVEGCSA-N 0 0 346.477 4.169 50 30 EIEARN N#Cc1ccccc1COC(=O)Cc1csc(-c2ccsc2)n1 ZINC000008001951 564162085 /nfs/dbraw/zinc/16/20/85/564162085.db2.gz NJHIQNVZONPENP-UHFFFAOYSA-N 0 0 340.429 4.029 50 30 EIEARN C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccs1 ZINC000066956097 564164822 /nfs/dbraw/zinc/16/48/22/564164822.db2.gz JWYPESWLEVXTHB-LBPRGKRZSA-N 0 0 331.466 4.464 50 30 EIEARN COc1cc(C#N)ccc1O[C@@H](C)C(=O)c1c(C)[nH]c2ccccc21 ZINC000008428069 564165218 /nfs/dbraw/zinc/16/52/18/564165218.db2.gz FDYOYXCRYHVJDI-ZDUSSCGKSA-N 0 0 334.375 4.007 50 30 EIEARN CN(C(=O)c1csc(CCc2ccccc2)n1)c1cccc(C#N)c1 ZINC000069486099 564169835 /nfs/dbraw/zinc/16/98/35/564169835.db2.gz MTCLIBNJVNBDCC-UHFFFAOYSA-N 0 0 347.443 4.077 50 30 EIEARN Cc1nc(C(=O)N(CC2CC2)c2cc(Cl)ccc2C#N)cs1 ZINC000069515793 564170043 /nfs/dbraw/zinc/17/00/43/564170043.db2.gz JTOJCCQYQCGOTD-UHFFFAOYSA-N 0 0 331.828 4.033 50 30 EIEARN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)Cc1ccco1 ZINC000069622802 564170980 /nfs/dbraw/zinc/17/09/80/564170980.db2.gz FIMIPDNDBPNCEE-KGLIPLIRSA-N 0 0 343.452 4.284 50 30 EIEARN CS[C@H](C)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000069702508 564171645 /nfs/dbraw/zinc/17/16/45/564171645.db2.gz AKGAQUMYGIDFRE-APPZFPTMSA-N 0 0 344.383 4.243 50 30 EIEARN C[C@H](C#N)CSc1ccccc1NC(=O)COC1CCCCC1 ZINC000069737499 564171777 /nfs/dbraw/zinc/17/17/77/564171777.db2.gz PGRZGRFUNHNPKD-CQSZACIVSA-N 0 0 332.469 4.226 50 30 EIEARN Cc1noc(C)c1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 ZINC000071818299 564175635 /nfs/dbraw/zinc/17/56/35/564175635.db2.gz FFIHZBZRQRENRZ-UHFFFAOYSA-N 0 0 349.415 4.243 50 30 EIEARN Cc1cc(C)nc(C(C#N)C(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)n1 ZINC000077940869 564176873 /nfs/dbraw/zinc/17/68/73/564176873.db2.gz VONMVFLIILYWJU-GUDVDZBRSA-N 0 0 333.435 4.197 50 30 EIEARN CSc1ccc(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000263623103 568419751 /nfs/dbraw/zinc/41/97/51/568419751.db2.gz DRGHQBBMDWMLHI-UHFFFAOYSA-N 0 0 332.469 4.201 50 30 EIEARN CC1(C)CC(=O)C(=CN[C@@H](c2cccs2)c2ccccc2)C(=O)C1 ZINC000101018607 1023275802 /nfs/dbraw/zinc/27/58/02/1023275802.db2.gz VWCWPYXQPPEXIQ-LJQANCHMSA-N 0 0 339.460 4.269 50 30 EIEARN CO[C@@H]1CCC[C@H](CC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)C1 ZINC000331049019 1023642542 /nfs/dbraw/zinc/64/25/42/1023642542.db2.gz HEGVRGVUPVZFCT-KFKAGJAMSA-N 0 0 342.483 4.260 50 30 EIEARN Cc1ccc(/C=C2\CSc3c(F)cccc3C2=O)cc1[N+](=O)[O-] ZINC000015662224 1035382328 /nfs/dbraw/zinc/38/23/28/1035382328.db2.gz GYSCSQDCJKOJCH-KPKJPENVSA-N 0 0 329.352 4.414 50 30 EIEARN COc1ccc(CC(C)=NNC(=S)Nc2ccc(C)c(C)c2)cc1 ZINC000254339374 1037561442 /nfs/dbraw/zinc/56/14/42/1037561442.db2.gz AKNANHFIDAISPZ-UHFFFAOYSA-N 0 0 341.480 4.217 50 30 EIEARN COc1ccc(Br)cc1/C=C\C(=O)c1cccc(O)c1 ZINC000096792661 1039375826 /nfs/dbraw/zinc/37/58/26/1039375826.db2.gz UPQQJGDVDCVCKK-ALCCZGGFSA-N 0 0 333.181 4.059 50 30 EIEARN O=C(/C=C\c1cccs1)c1ccc(I)cc1 ZINC000033525111 1039946495 /nfs/dbraw/zinc/94/64/95/1039946495.db2.gz AUFXPMODKSMAMW-FPLPWBNLSA-N 0 0 340.185 4.249 50 30 EIEARN COc1cccc2cc(C(=O)/C=C/c3cc4ccccc4[nH]c3=O)oc21 ZINC000083976046 1040976881 /nfs/dbraw/zinc/97/68/81/1040976881.db2.gz ZKQCPBWQDXXZHO-MDZDMXLPSA-N 0 0 345.354 4.179 50 30 EIEARN CC(C)(C)N/N=C1\c2ccc(SCc3ccccc3)cc2NC1=O ZINC000084169988 1041062498 /nfs/dbraw/zinc/06/24/98/1041062498.db2.gz ZUZUNPPUSUZQAJ-UHFFFAOYSA-N 0 0 339.464 4.023 50 30 EIEARN COc1cccc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)c1 ZINC000606346942 1043067053 /nfs/dbraw/zinc/06/70/53/1043067053.db2.gz XICSHNXEQRDUGE-UHFFFAOYSA-N 0 0 342.398 4.401 50 30 EIEARN N#Cc1ccc(Cl)cc1NC(=O)/C=C\c1ccc(OC(F)F)cc1 ZINC000033404774 1047161927 /nfs/dbraw/zinc/16/19/27/1047161927.db2.gz JYFXSHJTIQTINS-BAQGIRSFSA-N 0 0 348.736 4.465 50 30 EIEARN C[C@@H](NC=CC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000008573603 1047709439 /nfs/dbraw/zinc/70/94/39/1047709439.db2.gz MJQHYOMFEUPBSJ-YLGBQOPLSA-N 0 0 330.225 4.496 50 30 EIEARN C#CCCC1(CCC(=O)NC2(c3ccc(C(F)(F)F)cc3)CC2)N=N1 ZINC000952879543 1049678815 /nfs/dbraw/zinc/67/88/15/1049678815.db2.gz FJKMWIDLZFWUDM-UHFFFAOYSA-N 0 0 349.356 4.166 50 30 EIEARN C#CCCC1(CCC(=O)Nc2cc(F)ccc2N2CCCCC2)N=N1 ZINC000952880427 1049680458 /nfs/dbraw/zinc/68/04/58/1049680458.db2.gz FJMADXPSZMLXBV-UHFFFAOYSA-N 0 0 342.418 4.110 50 30 EIEARN COC(=O)c1ccc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000033704881 1053506104 /nfs/dbraw/zinc/50/61/04/1053506104.db2.gz FCFULCSGWYHBPG-YFHOEESVSA-N 0 0 334.293 4.388 50 30 EIEARN CCOC(=O)c1c(NC=C2CCCCC2=O)sc2c1CCCC2 ZINC000103269913 1054904598 /nfs/dbraw/zinc/90/45/98/1054904598.db2.gz FWQXWKPBUIUCQV-VAWYXSNFSA-N 0 0 333.453 4.243 50 30 EIEARN CC(Nc1ccc(C)cc1)=C1C(=O)CC(c2cccs2)CC1=O ZINC000004741325 210265989 /nfs/dbraw/zinc/26/59/89/210265989.db2.gz WSQUZKLYHGRHLD-UHFFFAOYSA-N 0 0 325.433 4.458 50 30 EIEARN C=C(C)CNC(=S)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000052600524 214137257 /nfs/dbraw/zinc/13/72/57/214137257.db2.gz ODZFKEXOQKGUGT-QGZVFWFLSA-N 0 0 328.506 4.146 50 30 EIEARN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cccs3)S2)cc1 ZINC000004704730 210254837 /nfs/dbraw/zinc/25/48/37/210254837.db2.gz DGMKLTFZTOHIFR-GXDHUFHOSA-N 0 0 330.434 4.038 50 30 EIEARN CCCCCCCCCCC1N=NC(=S)N1C[C@H]1CCCO1 ZINC000097941837 219062071 /nfs/dbraw/zinc/06/20/71/219062071.db2.gz FWMFARGOITZIDJ-OAHLLOKOSA-N 0 0 325.522 4.429 50 30 EIEARN N#CC1(C#N)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1cccc(F)c1 ZINC000004652921 210239013 /nfs/dbraw/zinc/23/90/13/210239013.db2.gz FBHBGRMZWXDZHZ-RLERJZMCSA-N 0 0 348.421 4.358 50 30 EIEARN CCOC(=O)c1c(NC2=CC(=O)CCC2)sc2c1CCCCC2 ZINC000004601581 210231163 /nfs/dbraw/zinc/23/11/63/210231163.db2.gz DPFJZEFTMJLIEH-UHFFFAOYSA-N 0 0 333.453 4.243 50 30 EIEARN C[C@H]1S/C(=N\N=C\c2cccs2)N(c2ccc(Cl)cc2)C1=O ZINC000004590317 210228709 /nfs/dbraw/zinc/22/87/09/210228709.db2.gz ZWIFCVNQEQTRPJ-FILLTOLRSA-N 0 0 349.868 4.260 50 30 EIEARN N#Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cn1 ZINC000098071530 219077395 /nfs/dbraw/zinc/07/73/95/219077395.db2.gz SYSUHFHVCJHDBN-UHFFFAOYSA-N 0 0 341.370 4.314 50 30 EIEARN CSc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000004517618 210210846 /nfs/dbraw/zinc/21/08/46/210210846.db2.gz LUUSMBQEDLVXMS-UHFFFAOYSA-N 0 0 328.462 4.473 50 30 EIEARN CC1=NOC(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000100151858 219093326 /nfs/dbraw/zinc/09/33/26/219093326.db2.gz FLCWIQKXWDLTAQ-LICLKQGHSA-N 0 0 327.767 4.235 50 30 EIEARN CC(NN=c1[nH]c2ccccc2s1)=C1C(=O)c2ccccc2C1=O ZINC000100321129 219097053 /nfs/dbraw/zinc/09/70/53/219097053.db2.gz CBSVDAJRYPIVAI-JMIUGGIZSA-N 0 0 335.388 4.250 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccc(Cl)cc1Cl ZINC000004488854 210202512 /nfs/dbraw/zinc/20/25/12/210202512.db2.gz JRAJWMOWQWVKKH-LLVKDONJSA-N 0 0 338.234 4.240 50 30 EIEARN Cc1cccc(-n2c(Cc3ccccc3)nnc2S[C@H](C)C#N)c1 ZINC000004491126 210202515 /nfs/dbraw/zinc/20/25/15/210202515.db2.gz AQAJSLFTDRBHNH-OAHLLOKOSA-N 0 0 334.448 4.171 50 30 EIEARN CN(C)c1ccc([C@@H]2CC(=O)C=C(NCc3ccc(F)cc3)C2)cc1 ZINC000100430357 219099431 /nfs/dbraw/zinc/09/94/31/219099431.db2.gz LOZDDJJUOKBJQE-KRWDZBQOSA-N 0 0 338.426 4.012 50 30 EIEARN CCOc1ccccc1NC=C1C(=O)CC(c2ccccc2)CC1=O ZINC000100631196 219102752 /nfs/dbraw/zinc/10/27/52/219102752.db2.gz RTMHMHALQMNAFR-UHFFFAOYSA-N 0 0 335.403 4.097 50 30 EIEARN O=C1c2ccccc2C2=NC(=O)S[C@H](c3ccc(Cl)cc3)C12 ZINC000100633869 219103519 /nfs/dbraw/zinc/10/35/19/219103519.db2.gz ACNCZDLQNSUHCI-MRXNPFEDSA-N 0 0 327.792 4.445 50 30 EIEARN N=C(NOC(=O)c1cccc(Cl)c1)c1c(Cl)cccc1Cl ZINC000004322589 210170753 /nfs/dbraw/zinc/17/07/53/210170753.db2.gz IOFGDJMGLZMJKU-UHFFFAOYSA-N 0 0 343.597 4.124 50 30 EIEARN CSC(=NC#N)NCc1c(Cl)cccc1Oc1ccccc1 ZINC000004323440 210169794 /nfs/dbraw/zinc/16/97/94/210169794.db2.gz OUQKIOIWXROUAI-UHFFFAOYSA-N 0 0 331.828 4.422 50 30 EIEARN C#CCn1cnc(-c2ccccc2)c1-c1cccc(Cn2cccn2)c1 ZINC000065383171 214882337 /nfs/dbraw/zinc/88/23/37/214882337.db2.gz IRVAIVJKROUPMC-UHFFFAOYSA-N 0 0 338.414 4.095 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccccc1 ZINC000004119634 210124927 /nfs/dbraw/zinc/12/49/27/210124927.db2.gz MFZHTTMGYRNZIK-YJBOKZPZSA-N 0 0 326.417 4.067 50 30 EIEARN CCNC(=O)O/N=C(\C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000004085483 210116296 /nfs/dbraw/zinc/11/62/96/210116296.db2.gz YEEQAINIFYGZHS-VXLYETTFSA-N 0 0 337.832 4.242 50 30 EIEARN N#Cc1ccc(-c2csc(NC(=O)/C=C/c3cccs3)n2)cc1 ZINC000004078629 210115342 /nfs/dbraw/zinc/11/53/42/210115342.db2.gz MKLLKOGBIGZVID-BQYQJAHWSA-N 0 0 337.429 4.395 50 30 aggregator EIEARN COc1cc2c(cc1C)/C(=N\OC(=O)c1ccccc1F)CCC2 ZINC000004017980 210102233 /nfs/dbraw/zinc/10/22/33/210102233.db2.gz SFUGZGFVPJVWAE-FXBPSFAMSA-N 0 0 327.355 4.040 50 30 EIEARN Cc1[nH]c(=O)c(C(=O)/C=C/c2ccccc2Cl)c2c1CCCC2 ZINC000003998111 210096965 /nfs/dbraw/zinc/09/69/65/210096965.db2.gz KGJQQJAVAAIPBN-ZHACJKMWSA-N 0 0 327.811 4.112 50 30 EIEARN N#Cc1c2c(sc1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 ZINC000102064587 219183429 /nfs/dbraw/zinc/18/34/29/219183429.db2.gz MFCLCPANPYERRS-QGMBQPNBSA-N 0 0 331.784 4.421 50 30 EIEARN COc1ccc(CNc2oc(COc3ccccc3C)nc2C#N)cc1 ZINC000003903580 210088922 /nfs/dbraw/zinc/08/89/22/210088922.db2.gz LNIIHYUGBFAVOP-UHFFFAOYSA-N 0 0 349.390 4.054 50 30 EIEARN CCOc1ccc(/N=c2\cc(C)c(C#N)c3[nH]c4ccccc4n32)cc1 ZINC000102491821 219206813 /nfs/dbraw/zinc/20/68/13/219206813.db2.gz SFIZZSAADOPSHE-BSYVCWPDSA-N 0 0 342.402 4.232 50 30 EIEARN N#Cc1ccc(COC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 ZINC000003447873 210043136 /nfs/dbraw/zinc/04/31/36/210043136.db2.gz WMYBGJGELIAZIO-CMDGGOBGSA-N 0 0 331.293 4.334 50 30 EIEARN C[C@@H](C#N)Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000003412945 210031647 /nfs/dbraw/zinc/03/16/47/210031647.db2.gz LOICQASEMZSWJG-NSHDSACASA-N 0 0 344.827 4.244 50 30 EIEARN C=CCN[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000003376686 210022414 /nfs/dbraw/zinc/02/24/14/210022414.db2.gz AZGKLVAMKGHVMK-MRXNPFEDSA-N 0 0 335.234 4.449 50 30 EIEARN COc1ccc(C(=O)C=CNc2cc(C)ccc2Cl)cc1OC ZINC000102810890 219231749 /nfs/dbraw/zinc/23/17/49/219231749.db2.gz GWXXBTLPZWSTSW-HJWRWDBZSA-N 0 0 331.799 4.474 50 30 EIEARN N#Cc1ccc(NC(=O)COc2ccccc2Cc2ccccc2)cc1 ZINC000003323389 210007134 /nfs/dbraw/zinc/00/71/34/210007134.db2.gz GGLABJIGCKOAQV-UHFFFAOYSA-N 0 0 342.398 4.167 50 30 EIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000103087392 219254520 /nfs/dbraw/zinc/25/45/20/219254520.db2.gz PTEOTLMOIZESGP-WOOAAIBNSA-N 0 0 349.430 4.217 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C2c3ccccc3CC[C@@H]2[C@@H]1c1ccccc1 ZINC000104564632 219394678 /nfs/dbraw/zinc/39/46/78/219394678.db2.gz MBEZJVHYCSPIDX-YUXAGFNASA-N 0 0 346.426 4.178 50 30 EIEARN N#Cc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(F)c2)cc1 ZINC000040288358 213289762 /nfs/dbraw/zinc/28/97/62/213289762.db2.gz VDDAOYFPSGVLEI-INIZCTEOSA-N 0 0 332.338 4.007 50 30 EIEARN N#Cc1cccnc1Oc1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000040106955 213266246 /nfs/dbraw/zinc/26/62/46/213266246.db2.gz LTWKZKVWFDZZHO-UHFFFAOYSA-N 0 0 333.322 4.137 50 30 EIEARN N#Cc1ccc(-c2ccc(/C=N/NC(=S)Nc3ccccc3)o2)cc1 ZINC000001097356 209709894 /nfs/dbraw/zinc/70/98/94/209709894.db2.gz NKWZMBVTCMKNOH-FYJGNVAPSA-N 0 0 346.415 4.139 50 30 EIEARN COc1ccc(/C=N/c2ccc(I)cc2)cc1 ZINC000000580642 209671991 /nfs/dbraw/zinc/67/19/91/209671991.db2.gz KYXOANCXPAQAGL-MHWRWJLKSA-N 0 0 337.160 4.050 50 30 EIEARN CC(=CC(=O)[C@H](C#N)c1ccccn1)c1ccc(C(F)(F)F)cc1 ZINC000069777099 215576681 /nfs/dbraw/zinc/57/66/81/215576681.db2.gz AZIOBYNBHMDYSQ-KUGGDMIFSA-N 0 0 330.309 4.380 50 30 EIEARN C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000036390062 213094878 /nfs/dbraw/zinc/09/48/78/213094878.db2.gz YYGLKCAMHDVPCA-YPMHNXCESA-N 0 0 348.796 4.459 50 30 EIEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1c(F)cccc1F ZINC000036392003 213095369 /nfs/dbraw/zinc/09/53/69/213095369.db2.gz TYYKGNFVAKMJBY-UHFFFAOYSA-N 0 0 334.325 4.012 50 30 EIEARN C=CCOc1ccc(NC(=O)c2cc3cc(OC)ccc3n2C)cc1 ZINC000035476033 213031438 /nfs/dbraw/zinc/03/14/38/213031438.db2.gz DTRAVVWKFTWUST-UHFFFAOYSA-N 0 0 336.391 4.004 50 30 EIEARN CSc1ccc(-c2nc(CN3CCC[C@@H](C#N)C3)c(C)o2)cc1 ZINC000071776424 215824700 /nfs/dbraw/zinc/82/47/00/215824700.db2.gz KZYVNMSTRBCFFT-AWEZNQCLSA-N 0 0 327.453 4.108 50 30 EIEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(N(C)C)o3)o2)cc1C ZINC000033027194 212889836 /nfs/dbraw/zinc/88/98/36/212889836.db2.gz OWTXZDLULOGGEK-UHFFFAOYSA-N 0 0 337.379 4.068 50 30 EIEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(O)cc1 ZINC000000315860 209532900 /nfs/dbraw/zinc/53/29/00/209532900.db2.gz QBONIWPFFXNTJQ-UHFFFAOYSA-N 0 0 343.382 4.262 50 30 EIEARN CCCC(=O)C1=C(Nc2ccc(OC)cc2OC)CC(C)(C)CC1=O ZINC000000294368 209522035 /nfs/dbraw/zinc/52/20/35/209522035.db2.gz FVUGNWXCLJWBFP-UHFFFAOYSA-N 0 0 345.439 4.128 50 30 biogenic EIEARN COc1cccc(N=C2NC(=O)SC2=Cc2c(C)noc2C)c1 ZINC000072401806 216194126 /nfs/dbraw/zinc/19/41/26/216194126.db2.gz IFJWTKRGITWLMC-ZSOIEALJSA-N 0 0 329.381 4.032 50 30 EIEARN Cc1ccc(CNc2oc(COc3ccc(F)cc3)nc2C#N)cc1 ZINC000000108097 209424916 /nfs/dbraw/zinc/42/49/16/209424916.db2.gz BVBWMFSNWUUZTK-UHFFFAOYSA-N 0 0 337.354 4.185 50 30 EIEARN N#Cc1cccc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1 ZINC000025930734 212500915 /nfs/dbraw/zinc/50/09/15/212500915.db2.gz FWJXYXORHDTINO-UHFFFAOYSA-N 0 0 329.359 4.343 50 30 EIEARN N#C[C@H]1CCC[C@@H](Nc2ccc(Cc3nnc4n3CCCCC4)cc2)C1 ZINC000193294263 240095608 /nfs/dbraw/zinc/09/56/08/240095608.db2.gz HDLXAUZJGRIGNZ-PKOBYXMFSA-N 0 0 349.482 4.090 50 30 EIEARN CC(C)=C1Oc2c(ccc3c2[C@H](c2ccc(F)cc2)CC(=O)O3)C1=O ZINC000218178895 241303865 /nfs/dbraw/zinc/30/38/65/241303865.db2.gz DKEPXRWKCAMSJV-AWEZNQCLSA-N 0 0 338.334 4.136 50 30 EIEARN C=C(C)Cn1c(=O)c2c([nH]c1=S)-c1ccccc1C[C@@]2(C)CC ZINC000020894524 212183263 /nfs/dbraw/zinc/18/32/63/212183263.db2.gz HDZHPKHQORSVBR-LJQANCHMSA-N 0 0 326.465 4.373 50 30 EIEARN Cc1cc(=O)oc2c3c(ccc12)O/C(=C/C=C/c1ccccc1)C3=O ZINC000020663626 212159484 /nfs/dbraw/zinc/15/94/84/212159484.db2.gz BCEYCGKJXBJBTJ-BDKUJZOCSA-N 0 0 330.339 4.274 50 30 biogenic EIEARN CN(Cc1ccccc1)c1oc(/C=C/c2ccc(F)cc2)nc1C#N ZINC000020446657 212129978 /nfs/dbraw/zinc/12/99/78/212129978.db2.gz VNRKLLVTLAMINK-FMIVXFBMSA-N 0 0 333.366 4.492 50 30 EIEARN COc1cccc(-c2cc(-c3cc(C)ccc3C)nc(N)c2C#N)c1 ZINC000019879649 212078383 /nfs/dbraw/zinc/07/83/83/212078383.db2.gz SSROGRHGCOBZAZ-UHFFFAOYSA-N 0 0 329.403 4.495 50 30 EIEARN ClC(/C=N/N1CCN(Cc2ccccc2)CC1)=C\c1ccccc1 ZINC000019771462 212063721 /nfs/dbraw/zinc/06/37/21/212063721.db2.gz QKKCESWVVGBVCJ-IJDGKNKPSA-N 0 0 339.870 4.070 50 30 EIEARN CC(C)(C)C(C#CCN1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000019706827 212055560 /nfs/dbraw/zinc/05/55/60/212055560.db2.gz RQLVDJHTAMXMBF-UHFFFAOYSA-N 0 0 347.502 4.354 50 30 EIEARN Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(F)cc3)S2)c1C ZINC000018127288 211982851 /nfs/dbraw/zinc/98/28/51/211982851.db2.gz ZUMXYSLKWSXLGJ-YBEGLDIGSA-N 0 0 326.396 4.334 50 30 EIEARN COc1cc2c(cc1OC)[C@H](c1ccsc1)C1=C(CCCC1=O)N2 ZINC000018196944 211989428 /nfs/dbraw/zinc/98/94/28/211989428.db2.gz KQMMYYOLESNPKJ-SFHVURJKSA-N 0 0 341.432 4.330 50 30 EIEARN Cc1ccc(/N=C2\C(=O)Nc3ccc(C)c(Br)c32)cc1 ZINC000018063057 211979862 /nfs/dbraw/zinc/97/98/62/211979862.db2.gz OTGZNHVSRDVCDH-UHFFFAOYSA-N 0 0 329.197 4.139 50 30 EIEARN CCCC(C#N)(CCC)NC(=O)CCc1c(C)nn(CC(C)C)c1C ZINC000078789755 217121336 /nfs/dbraw/zinc/12/13/36/217121336.db2.gz HYZACSSEUJNVCB-UHFFFAOYSA-N 0 0 346.519 4.067 50 30 EIEARN Cc1coc(-c2cccc(NC(=O)CCc3ccc(C#N)cc3)c2)n1 ZINC000079102774 217193784 /nfs/dbraw/zinc/19/37/84/217193784.db2.gz LVROCLKHDHGOOR-UHFFFAOYSA-N 0 0 331.375 4.093 50 30 EIEARN C[C@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000079335615 217210212 /nfs/dbraw/zinc/21/02/12/217210212.db2.gz RVBXDHPDUOMDRJ-INIZCTEOSA-N 0 0 349.434 4.205 50 30 EIEARN N#CCSc1cccc(C(=O)N2CCCc3cc(F)cc(F)c32)c1 ZINC000079413121 217222334 /nfs/dbraw/zinc/22/23/34/217222334.db2.gz OTDFKMSBBCPTCL-UHFFFAOYSA-N 0 0 344.386 4.173 50 30 EIEARN CCc1cc(Br)cc2c1NC(=O)/C2=N\c1ccc(C)cc1 ZINC000013856137 211651926 /nfs/dbraw/zinc/65/19/26/211651926.db2.gz CCZRXEBZAHPODO-UHFFFAOYSA-N 0 0 343.224 4.393 50 30 EIEARN CCc1ccc(/C=C2\Oc3cc(OC(=O)C(C)C)ccc3C2=O)cc1 ZINC000013653853 211599871 /nfs/dbraw/zinc/59/98/71/211599871.db2.gz JNXGCNILTLBNTK-ODLFYWEKSA-N 0 0 336.387 4.427 50 30 EIEARN Cc1nnc(Sc2ccc(C#N)cc2[N+](=O)[O-])n1C1CCCCC1 ZINC000012689068 211433944 /nfs/dbraw/zinc/43/39/44/211433944.db2.gz YKLOZSNGCLOYOY-UHFFFAOYSA-N 0 0 343.412 4.023 50 30 EIEARN COc1ccc([C@@H](C#N)N2N=C(C)C[C@@H]2c2ccccc2)c(OC)c1 ZINC000012630488 211426099 /nfs/dbraw/zinc/42/60/99/211426099.db2.gz WAQZDUSJOXUGHC-RTBURBONSA-N 0 0 335.407 4.091 50 30 EIEARN CC(CNC(=O)c1ccc(C#N)cc1)(c1ccccc1)c1ccccc1 ZINC000012751478 211445601 /nfs/dbraw/zinc/44/56/01/211445601.db2.gz QKWIFJRNTGBIAW-UHFFFAOYSA-N 0 0 340.426 4.294 50 30 EIEARN C[C@@H](Nc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012562419 211411690 /nfs/dbraw/zinc/41/16/90/211411690.db2.gz KSRVDYKCTJMRIV-CYBMUJFWSA-N 0 0 339.464 4.328 50 30 EIEARN Cc1ccc(C=CC(=O)C2=C(C)N(C)C(=O)N[C@@H]2c2ccccc2)cc1 ZINC000012391160 211366793 /nfs/dbraw/zinc/36/67/93/211366793.db2.gz JHMXYRYPVCKRKS-QZMUEMGWSA-N 0 0 346.430 4.248 50 30 EIEARN Oc1ccccc1/C=N/c1c(-c2ccccc2O)nc2ccccn21 ZINC000012374327 211359060 /nfs/dbraw/zinc/35/90/60/211359060.db2.gz ZFPITAYKNXYMIX-FYJGNVAPSA-N 0 0 329.359 4.163 50 30 EIEARN N#Cc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)c1 ZINC000010950645 211196038 /nfs/dbraw/zinc/19/60/38/211196038.db2.gz RZBFBNKXGSGLIM-FQEVSTJZSA-N 0 0 325.371 4.329 50 30 EIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(C(C)C)cs1 ZINC000010638926 211182837 /nfs/dbraw/zinc/18/28/37/211182837.db2.gz UNIMGIWHDHHNAI-UHFFFAOYSA-N 0 0 340.408 4.083 50 30 EIEARN Cc1nc(SCc2nc(-c3cccs3)no2)c(C#N)c(C)c1C ZINC000009910257 211133747 /nfs/dbraw/zinc/13/37/47/211133747.db2.gz RNUMQKDUPCBCOX-UHFFFAOYSA-N 0 0 342.449 4.282 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1cccs1 ZINC000009576726 211103811 /nfs/dbraw/zinc/10/38/11/211103811.db2.gz FJOOJQWJVYTDCX-LPHOPBHVSA-N 0 0 340.444 4.376 50 30 EIEARN Cc1cc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2ccccc12 ZINC000009470600 211087906 /nfs/dbraw/zinc/08/79/06/211087906.db2.gz OOHYIRVNNIZAHS-IFXJQAMLSA-N 0 0 341.480 4.078 50 30 EIEARN Cc1c2c(ccc1OCC#N)C(=O)/C(=C\c1cn(C)c3ccccc13)O2 ZINC000009420654 211080839 /nfs/dbraw/zinc/08/08/39/211080839.db2.gz WBORTTVCQKMBLW-YBFXNURJSA-N 0 0 344.370 4.005 50 30 EIEARN Cc1cc(C)c2c(n1)O[C@@]1(C(F)(F)F)Oc3ccccc3C=C1C2=O ZINC000009304678 211062865 /nfs/dbraw/zinc/06/28/65/211062865.db2.gz CSKHEDYHUGDCPO-KRWDZBQOSA-N 0 0 347.292 4.008 50 30 EIEARN C=CCN1C(=O)/C(=C\c2ccc(OCC)c(Cl)c2)SC1=S ZINC000009234535 211056611 /nfs/dbraw/zinc/05/66/11/211056611.db2.gz YFLCYYKQUIPDNU-UKTHLTGXSA-N 0 0 339.869 4.126 50 30 EIEARN Cc1cc(C)c(C#N)c(S[C@@H](C)c2nnc(-c3ccccc3)o2)n1 ZINC000009157343 211047131 /nfs/dbraw/zinc/04/71/31/211047131.db2.gz LIGFRKPWGJRFNL-ZDUSSCGKSA-N 0 0 336.420 4.473 50 30 EIEARN N#CCc1nc(-c2ccc(Cl)cc2)c(NC(=O)c2ccco2)s1 ZINC000008917128 211019007 /nfs/dbraw/zinc/01/90/07/211019007.db2.gz NVVUHGGOWHQVCV-UHFFFAOYSA-N 0 0 343.795 4.375 50 30 EIEARN CCn1cc(/N=C/c2ccc(C)cc2)c(C(=O)Nc2ccccc2)n1 ZINC000008783176 211006648 /nfs/dbraw/zinc/00/66/48/211006648.db2.gz SICLCXNAMUIJBF-FYJGNVAPSA-N 0 0 332.407 4.214 50 30 EIEARN CCC(=O)C1=C(Nc2ccc(OC)cc2)C[C@@H](c2ccccc2)CC1=O ZINC000008773290 211004069 /nfs/dbraw/zinc/00/40/69/211004069.db2.gz HAVWZLVEMPJTIP-MRXNPFEDSA-N 0 0 349.430 4.487 50 30 EIEARN CCn1cc(/C=C2/Oc3cc(OC)ccc3C2=O)c2cc(OC)ccc21 ZINC000008765372 211002545 /nfs/dbraw/zinc/00/25/45/211002545.db2.gz DQIPDRNISGKCON-AWQFTUOYSA-N 0 0 349.386 4.295 50 30 biogenic EIEARN Cc1nnc(-c2cccc(C#N)c2)n1Cc1cc(C)nc2ccccc12 ZINC000095399627 218333668 /nfs/dbraw/zinc/33/36/68/218333668.db2.gz GRRVGJSLKZNCKH-UHFFFAOYSA-N 0 0 339.402 4.030 50 30 EIEARN CC(=O)Nc1ccc(Br)cc1NCCCC(C)(C)C#N ZINC000095417972 218357479 /nfs/dbraw/zinc/35/74/79/218357479.db2.gz AWGROGQFBTUTMR-UHFFFAOYSA-N 0 0 338.249 4.149 50 30 EIEARN CCOc1ccc(/C=C/c2nc(C#N)c(N3CCC(C)CC3)o2)cc1 ZINC000008323862 210934952 /nfs/dbraw/zinc/93/49/52/210934952.db2.gz IINXKFMVNAZNEX-RMKNXTFCSA-N 0 0 337.423 4.352 50 30 EIEARN O=C(/C=C/c1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000008230208 210915844 /nfs/dbraw/zinc/91/58/44/210915844.db2.gz XAKUCMPOFZHYRD-MDZDMXLPSA-N 0 0 343.289 4.236 50 30 EIEARN N#Cc1ccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000008115170 210896001 /nfs/dbraw/zinc/89/60/01/210896001.db2.gz QLEHPUPURRVEKS-HXUWFJFHSA-N 0 0 344.439 4.408 50 30 EIEARN COc1ccc(C(=O)/C=C/c2cccc(Br)c2)cc1F ZINC000007336037 210784649 /nfs/dbraw/zinc/78/46/49/210784649.db2.gz RNNIVEABVJSAOJ-FNORWQNLSA-N 0 0 335.172 4.493 50 30 EIEARN COc1ccc(/C=C2/CSc3ccc(Cl)cc3C2=O)cc1O ZINC000096930488 218901440 /nfs/dbraw/zinc/90/14/40/218901440.db2.gz SGDAHIMQUIGLDU-WDZFZDKYSA-N 0 0 332.808 4.426 50 30 EIEARN CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2cccs2)S1 ZINC000005376763 210451678 /nfs/dbraw/zinc/45/16/78/210451678.db2.gz XVZMCLLPJGBFSW-GXDHUFHOSA-N 0 0 330.434 4.038 50 30 EIEARN N#Cc1cccc(NC(=O)CSc2cccc(C(F)(F)F)c2)c1 ZINC000005078195 210385473 /nfs/dbraw/zinc/38/54/73/210385473.db2.gz KLEGXQGOEOIMLF-UHFFFAOYSA-N 0 0 336.338 4.308 50 30 EIEARN O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCO2 ZINC000005129736 210397236 /nfs/dbraw/zinc/39/72/36/210397236.db2.gz ZANLRMBDBGCCCJ-XVNBXDOJSA-N 0 0 334.293 4.373 50 30 EIEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccco1 ZINC000005059786 210378071 /nfs/dbraw/zinc/37/80/71/210378071.db2.gz FUULHFSDQJHOJM-ZHACJKMWSA-N 0 0 341.370 4.423 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)Nc1sc(C#N)c(N)c1[C@H]2c1ccccc1 ZINC000004990280 210352921 /nfs/dbraw/zinc/35/29/21/210352921.db2.gz GFHHYUBACWZQPN-HNNXBMFYSA-N 0 0 349.459 4.403 50 30 EIEARN N#Cc1ccccc1N[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000004960757 210340451 /nfs/dbraw/zinc/34/04/51/210340451.db2.gz PEZFSBSVEQLPTH-NRFANRHFSA-N 0 0 339.398 4.325 50 30 EIEARN CC(C)(C)c1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004912540 210320711 /nfs/dbraw/zinc/32/07/11/210320711.db2.gz ZHJBFWVOLUHRAZ-OAHLLOKOSA-N 0 0 325.452 4.231 50 30 EIEARN Cc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 ZINC000004843293 210298177 /nfs/dbraw/zinc/29/81/77/210298177.db2.gz DHVMMCSPYVDZIK-AEFFLSMTSA-N 0 0 349.405 4.138 50 30 EIEARN CC(N=Nc1nnc(Cl)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000004837260 210293231 /nfs/dbraw/zinc/29/32/31/210293231.db2.gz VCJYMQDGBKKKPK-VCHYOVAHSA-N 0 0 341.758 4.028 50 30 EIEARN COc1ccc(C=NNc2nc3cc(C)ccc3cc2C)cc1OC ZINC000004750893 210270619 /nfs/dbraw/zinc/27/06/19/210270619.db2.gz LOIKJRKOQKDFIE-CIAFOILYSA-N 0 0 335.407 4.315 50 30 EIEARN CSC1=N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)S1 ZINC000004755349 210272784 /nfs/dbraw/zinc/27/27/84/210272784.db2.gz XNCFLEQOVVSUBL-WQLSENKSSA-N 0 0 346.389 4.188 50 30 EIEARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(O)=C(C=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118912450 221202605 /nfs/dbraw/zinc/20/26/05/221202605.db2.gz ICMWWNHDUZJFDW-DHODBPELSA-N 0 0 332.484 4.401 50 30 fda EIEARN Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C\c1ccccc1C ZINC000096925868 257839276 /nfs/dbraw/zinc/83/92/76/257839276.db2.gz OMXLHTWZEJRKQP-SEYXRHQNSA-N 0 0 329.403 4.339 50 30 EIEARN N#CCCn1cc(/C=C/c2ccncn2)c(-c2ccc(Cl)cc2)n1 ZINC000408513741 257984470 /nfs/dbraw/zinc/98/44/70/257984470.db2.gz MEZRSAJKOJKZOO-QPJJXVBHSA-N 0 0 335.798 4.078 50 30 EIEARN NC(=O)COc1cccc(NC(=O)c2coc(C3CCCCC3)n2)c1 ZINC000330031561 258003196 /nfs/dbraw/zinc/00/31/96/258003196.db2.gz AFYZKLSYLXNBNQ-UHFFFAOYSA-N 0 0 343.383 4.273 50 30 EIEARN C=CCCC(=O)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000067885921 258011116 /nfs/dbraw/zinc/01/11/16/258011116.db2.gz VMTOPXWJZODGNJ-UHFFFAOYSA-N 0 0 343.858 4.402 50 30 EIEARN C#CCOc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000004091704 258047080 /nfs/dbraw/zinc/04/70/80/258047080.db2.gz LYDOAPJSGNCPSQ-UHFFFAOYSA-N 0 0 325.717 4.357 50 30 EIEARN C=CCN(CC=C)Cc1nc(-c2ccc(OC)c(C)c2C)oc1C ZINC000012058666 258018205 /nfs/dbraw/zinc/01/82/05/258018205.db2.gz HGWPKLDVJPMDHN-UHFFFAOYSA-N 0 0 326.440 4.449 50 30 EIEARN Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3cccc(C)c3)n[nH]2)cc1 ZINC000028788404 258057954 /nfs/dbraw/zinc/05/79/54/258057954.db2.gz QWINYHAVRPFJPM-CQSZACIVSA-N 0 0 336.395 4.144 50 30 EIEARN COc1ccc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1 ZINC000032831763 258058275 /nfs/dbraw/zinc/05/82/75/258058275.db2.gz JDNYYPDDVBIJAE-AWNIVKPZSA-N 0 0 338.407 4.121 50 30 EIEARN O=C(/C=C/c1ccc(OCc2cscn2)cc1)c1cccc(O)c1 ZINC000032906658 258058994 /nfs/dbraw/zinc/05/89/94/258058994.db2.gz BDJQGUVRVXPZRK-RMKNXTFCSA-N 0 0 337.400 4.324 50 30 EIEARN COc1cc(C2(C(=O)[C@@H](C#N)c3nc4ccccc4o3)CC2)ccc1C ZINC000069697912 258063778 /nfs/dbraw/zinc/06/37/78/258063778.db2.gz YKCJRUHXUPJYCR-OAHLLOKOSA-N 0 0 346.386 4.053 50 30 EIEARN CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O ZINC000072400494 258065132 /nfs/dbraw/zinc/06/51/32/258065132.db2.gz NZEDHZOVUDEBGW-UHFFFAOYSA-N 0 0 325.449 4.295 50 30 in-vitro EIEARN N#CC1(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)CCCC1 ZINC000024441847 135732419 /nfs/dbraw/zinc/73/24/19/135732419.db2.gz JHTXLCWNEACUST-UHFFFAOYSA-N 0 0 348.450 4.248 50 30 EIEARN C=CCN(Cc1ccc(Cl)s1)Cc1noc(C(C)(C)C)n1 ZINC000045810384 518782145 /nfs/dbraw/zinc/78/21/45/518782145.db2.gz VVUOMRDTQHZGQB-UHFFFAOYSA-N 0 0 325.865 4.270 50 30 EIEARN C=CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(C)=O ZINC000036106138 518795179 /nfs/dbraw/zinc/79/51/79/518795179.db2.gz NWFYSBUBAUOEPL-UHFFFAOYSA-N 0 0 344.480 4.182 50 30 EIEARN C=CCN(c1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000000270334 518818855 /nfs/dbraw/zinc/81/88/55/518818855.db2.gz VNVWSWJMIJDIME-NRFANRHFSA-N 0 0 334.463 4.479 50 30 EIEARN CC(C)(C)c1cc(CN=Nc2ncccn2)cc(C(C)(C)C)c1O ZINC000242548852 518997198 /nfs/dbraw/zinc/99/71/98/518997198.db2.gz LWSQIDBDXHIJLB-UHFFFAOYSA-N 0 0 326.444 4.223 50 30 EIEARN C=CCOc1ccccc1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000055292393 519069408 /nfs/dbraw/zinc/06/94/08/519069408.db2.gz NAKMDKQEDDMPGW-UHFFFAOYSA-N 0 0 342.870 4.227 50 30 EIEARN C=CCc1ccc(OCCCOc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000004702033 519138199 /nfs/dbraw/zinc/13/81/99/519138199.db2.gz WQHVMNNGBNIGPA-UHFFFAOYSA-N 0 0 343.379 4.180 50 30 EIEARN C=CCn1cnnc1S[C@H](C)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000025253127 519286849 /nfs/dbraw/zinc/28/68/49/519286849.db2.gz OCEWYIHLCIYKNW-ZIAGYGMSSA-N 0 0 344.484 4.097 50 30 EIEARN COc1ccc(CN=Nc2nc(-c3ccccc3)cs2)c(OC)c1 ZINC000014257466 523447077 /nfs/dbraw/zinc/44/70/77/523447077.db2.gz LFTQKSQNEUKVRK-YBFXNURJSA-N 0 0 339.420 4.273 50 30 EIEARN CN(C(=O)CNc1cccc(C#Cc2cccs2)c1)c1ccccc1 ZINC000056163986 523828336 /nfs/dbraw/zinc/82/83/36/523828336.db2.gz HWMSEOJRPNGBPL-UHFFFAOYSA-N 0 0 346.455 4.223 50 30 EIEARN COc1ccccc1-c1cc(N=C(NCc2ccco2)SC)[nH]n1 ZINC000020440233 524269765 /nfs/dbraw/zinc/26/97/65/524269765.db2.gz FLYGSKFXAPNATN-UHFFFAOYSA-N 0 0 342.424 4.009 50 30 EIEARN Cc1ccc(C[C@@H](C#N)Sc2nnc(CC3CCCC3)[nH]2)cc1 ZINC000031798144 524651413 /nfs/dbraw/zinc/65/14/13/524651413.db2.gz GTBHTWJDIIPYKW-INIZCTEOSA-N 0 0 326.469 4.073 50 30 EIEARN C[C@H](NC(=O)CSCC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000055736153 524973820 /nfs/dbraw/zinc/97/38/20/524973820.db2.gz LYLWNJHQLVJVLA-ZDUSSCGKSA-N 0 0 344.411 4.052 50 30 EIEARN Cc1ccccc1C(=N)NOC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000005041730 525038006 /nfs/dbraw/zinc/03/80/06/525038006.db2.gz VMLGAGLUAAQPLX-UHFFFAOYSA-N 0 0 344.414 4.068 50 30 EIEARN COc1ccc([C@@H](C#N)N2N=C(C)C[C@H]2c2ccccc2)cc1OC ZINC000239231227 525116218 /nfs/dbraw/zinc/11/62/18/525116218.db2.gz VEBXWEIDCNURCO-ZWKOTPCHSA-N 0 0 335.407 4.091 50 30 EIEARN Cc1ccc(O[C@H](C)C(=O)Nc2n[nH]c(-c3ccc(C)cc3)n2)cc1 ZINC000016965075 525463465 /nfs/dbraw/zinc/46/34/65/525463465.db2.gz HMRYSOTVVVUECW-CQSZACIVSA-N 0 0 336.395 4.144 50 30 EIEARN COc1ccc2cc([C@H](C)C(=O)[C@H](C#N)c3ccccn3)ccc2c1 ZINC000041493398 525640194 /nfs/dbraw/zinc/64/01/94/525640194.db2.gz BQXZDWWLNYWOAJ-IFXJQAMLSA-N 0 0 330.387 4.223 50 30 EIEARN COc1cccc(-c2csc(C(C#N)=NNc3ccc(C)cc3)n2)c1 ZINC000005024181 525717447 /nfs/dbraw/zinc/71/74/47/525717447.db2.gz VORYKEDKYXGBLC-QJOMJCCJSA-N 0 0 348.431 4.467 50 30 EIEARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1n[nH]c(-c2ccccc2)n1 ZINC000025156165 525944264 /nfs/dbraw/zinc/94/42/64/525944264.db2.gz MIXOHPZCHZHHDN-NSHDSACASA-N 0 0 342.786 4.181 50 30 EIEARN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1ccccn1 ZINC000049458300 525947930 /nfs/dbraw/zinc/94/79/30/525947930.db2.gz MZOULNMRDHBRFX-QWRGUYRKSA-N 0 0 335.190 4.032 50 30 EIEARN CSc1ccc(C(=O)[C@H]2CCCN(CC#Cc3ccccc3)C2)cc1 ZINC000055225701 525972780 /nfs/dbraw/zinc/97/27/80/525972780.db2.gz ARYIHUKPMACABP-FQEVSTJZSA-N 0 0 349.499 4.355 50 30 EIEARN C[C@H](Sc1ccccn1)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000011225675 525995371 /nfs/dbraw/zinc/99/53/71/525995371.db2.gz ZMMMJBDXLJPZME-RAOBZKRQSA-N 0 0 338.476 4.443 50 30 EIEARN N#CCCN(Cc1ccccn1)C(=O)c1cc(Cl)sc1Cl ZINC000069780160 526456906 /nfs/dbraw/zinc/45/69/06/526456906.db2.gz VNGYOKBLVHROEZ-UHFFFAOYSA-N 0 0 340.235 4.006 50 30 EIEARN O=C(COc1ccc(Cl)cc1)ON=C1C2CC3CC(C2)CC1C3 ZINC000000079948 526953925 /nfs/dbraw/zinc/95/39/25/526953925.db2.gz VGOXXXCWCFOGHN-UHFFFAOYSA-N 0 0 333.815 4.074 50 30 EIEARN O=C(/C=C/c1ccccc1)O/N=C(/c1ccc(F)cc1)c1cccnc1 ZINC000027569548 527633408 /nfs/dbraw/zinc/63/34/08/527633408.db2.gz CTFSNOZHGHNSDR-OYSUKKHGSA-N 0 0 346.361 4.230 50 30 EIEARN FC(F)Oc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000004058894 527695798 /nfs/dbraw/zinc/69/57/98/527695798.db2.gz UGJBPPBZDRMWHG-QPSGOUHRSA-N 0 0 331.244 4.148 50 30 EIEARN Cc1cc(Cl)ccc1NC(=S)N/N=C/c1ccc(N(C)C)cc1 ZINC000000071858 563215503 /nfs/dbraw/zinc/21/55/03/563215503.db2.gz VKGREVSEBNSSTD-YBFXNURJSA-N 0 0 346.887 4.035 50 30 EIEARN COc1cccc(-c2csc(NC(=O)Oc3ccccc3)n2)c1 ZINC000000151155 563246416 /nfs/dbraw/zinc/24/64/16/563246416.db2.gz SDSDRHAJRBOUMH-UHFFFAOYSA-N 0 0 326.377 4.443 50 30 EIEARN Cc1cccc([C@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@@H]32)c1 ZINC000000169634 563250640 /nfs/dbraw/zinc/25/06/40/563250640.db2.gz ZXQIBROJZVFLES-PZJWPPBQSA-N 0 0 341.410 4.401 50 30 EIEARN CC(=O)N(C)c1ccc(/N=C/c2ccc(Br)s2)cc1 ZINC000000588141 563352200 /nfs/dbraw/zinc/35/22/00/563352200.db2.gz SGULJARVUDRKBU-CXUHLZMHSA-N 0 0 337.242 4.244 50 30 EIEARN CCn1c(C)cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c1C ZINC000000981753 563367035 /nfs/dbraw/zinc/36/70/35/563367035.db2.gz ZPQHJGQIEUHJLQ-LFIBNONCSA-N 0 0 325.437 4.016 50 30 EIEARN Cc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)s1 ZINC000001241841 563381043 /nfs/dbraw/zinc/38/10/43/563381043.db2.gz KBHZLHISQAMIOX-LZYBPNLTSA-N 0 0 334.857 4.139 50 30 EIEARN CC(C=NN1C(=S)N=NC1c1ccccc1C)=Cc1ccccc1 ZINC000001302849 563383143 /nfs/dbraw/zinc/38/31/43/563383143.db2.gz VONOOVMVHIMLAM-OCRAYANJSA-N 0 0 334.448 4.480 50 30 EIEARN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000002557155 563440948 /nfs/dbraw/zinc/44/09/48/563440948.db2.gz DJPZSBANTAQNFN-PXQJOHHUSA-N 0 0 330.468 4.450 50 30 in-vitro EIEARN Cc1ccc(N2CCN(/N=C\c3ccccc3C(F)(F)F)CC2)cc1 ZINC000004482753 563503445 /nfs/dbraw/zinc/50/34/45/563503445.db2.gz CVPQHGUWZRDLKL-UCQKPKSFSA-N 0 0 347.384 4.170 50 30 EIEARN CCOc1ccc(OCC)c(/N=C/c2cccc(OCC)c2O)c1 ZINC000005293746 563525556 /nfs/dbraw/zinc/52/55/56/563525556.db2.gz KIDMQCJUGGOVGB-DEDYPNTBSA-N 0 0 329.396 4.339 50 30 EIEARN O/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000005738723 563548091 /nfs/dbraw/zinc/54/80/91/563548091.db2.gz LXLJFLXQUQNAHU-VCHYOVAHSA-N 0 0 342.196 4.110 50 30 EIEARN O=[N+]([O-])c1ccc(CN=Nc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000005863771 563552532 /nfs/dbraw/zinc/55/25/32/563552532.db2.gz KKUDVTQJYAIUTI-KPSZGOFPSA-N 0 0 344.680 4.108 50 30 EIEARN CCCCCCCOc1ccc(S(=O)(=O)N2CCCC2)cc1C ZINC000059722868 563670538 /nfs/dbraw/zinc/67/05/38/563670538.db2.gz XGUQORGCVRVVTK-UHFFFAOYSA-N 0 0 339.501 4.129 50 30 EIEARN O=C1Nc2ccc(Br)cc2/C1=N\c1ccc(Cl)cc1 ZINC000017022921 563828928 /nfs/dbraw/zinc/82/89/28/563828928.db2.gz GTYLCWOHDGSQIQ-UHFFFAOYSA-N 0 0 335.588 4.175 50 30 EIEARN Cc1ccc([C@@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1 ZINC000017479845 563844705 /nfs/dbraw/zinc/84/47/05/563844705.db2.gz WUKDIDPVRVJYDY-CTNGQTDRSA-N 0 0 341.410 4.401 50 30 EIEARN N#CCCN(Cc1ccco1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000072285594 563907223 /nfs/dbraw/zinc/90/72/23/563907223.db2.gz KIPHHXZRVVGXAV-UHFFFAOYSA-N 0 0 337.301 4.246 50 30 EIEARN O=[N+]([O-])c1ccc(/C=N/c2nc3ccccc3n2Cc2ccccc2)o1 ZINC000000255112 563917259 /nfs/dbraw/zinc/91/72/59/563917259.db2.gz HNIDZYZSRBQKPE-UDWIEESQSA-N 0 0 346.346 4.336 50 30 EIEARN BrC(=NN=c1[nH]c2ccccc2s1)c1ccccc1 ZINC000004950439 563919041 /nfs/dbraw/zinc/91/90/41/563919041.db2.gz DYAPDBCIZACZKY-LGMDPLHJSA-N 0 0 332.226 4.465 50 30 EIEARN N#Cc1ccc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)cc1 ZINC000071523637 563935733 /nfs/dbraw/zinc/93/57/33/563935733.db2.gz FSSYBBMJZCNUEI-SFHVURJKSA-N 0 0 336.410 4.182 50 30 EIEARN COc1ccc(C2(NC(=O)Nc3cccc(C#N)c3)CCCC2)cc1 ZINC000058148125 563937855 /nfs/dbraw/zinc/93/78/55/563937855.db2.gz HOWYKADYPKJEDL-UHFFFAOYSA-N 0 0 335.407 4.158 50 30 EIEARN Cc1ncc(-c2ccccc2)cc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000360736504 563963530 /nfs/dbraw/zinc/96/35/30/563963530.db2.gz VELLIDAXUJGKDE-UHFFFAOYSA-N 0 0 349.340 4.459 50 30 EIEARN CC[C@H](Sc1nc2ccccc2o1)C(=O)Nc1ccccc1C#N ZINC000000076507 563974516 /nfs/dbraw/zinc/97/45/16/563974516.db2.gz PISBOQDQIZCBJB-INIZCTEOSA-N 0 0 337.404 4.209 50 30 EIEARN CC1(C)Cc2ccccc2C(Nc2ccc(Br)cc2)=N1 ZINC000000096444 563977920 /nfs/dbraw/zinc/97/79/20/563977920.db2.gz MMHCDQDCIKRIBH-UHFFFAOYSA-N 0 0 329.241 4.452 50 30 EIEARN C=CCSc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000014086696 563983170 /nfs/dbraw/zinc/98/31/70/563983170.db2.gz UXBOFKCZNJHUAB-UHFFFAOYSA-N 0 0 345.371 4.087 50 30 EIEARN N#Cc1cccc(COc2ccccc2C(=O)NCc2ccccc2)c1 ZINC000014306969 563983925 /nfs/dbraw/zinc/98/39/25/563983925.db2.gz IDJZHLJCZCGENL-UHFFFAOYSA-N 0 0 342.398 4.067 50 30 EIEARN COC1=C(Nc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2C1=O ZINC000000109616 563986536 /nfs/dbraw/zinc/98/65/36/563986536.db2.gz NROZTYLBXWWHCH-UHFFFAOYSA-N 0 0 347.292 4.055 50 30 EIEARN N#Cc1nc(COc2ccccc2F)oc1NCc1ccc(F)cc1 ZINC000000108790 563986595 /nfs/dbraw/zinc/98/65/95/563986595.db2.gz MGDAYNLSMTZVMD-UHFFFAOYSA-N 0 0 341.317 4.016 50 30 EIEARN N#Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000000190414 563988112 /nfs/dbraw/zinc/98/81/12/563988112.db2.gz BAIUQBKUPPIXFW-UHFFFAOYSA-N 0 0 338.370 4.354 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccc(C)cc1 ZINC000000203595 563988425 /nfs/dbraw/zinc/98/84/25/563988425.db2.gz JWMOABHPEGOXNJ-QFBILLFUSA-N 0 0 340.444 4.376 50 30 EIEARN Cc1ccc(N=Cc2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000252460185 563997661 /nfs/dbraw/zinc/99/76/61/563997661.db2.gz CJAMDYWDDWYOIX-UHFFFAOYSA-N 0 0 325.187 4.478 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1cccs1 ZINC000000428058 563998826 /nfs/dbraw/zinc/99/88/26/563998826.db2.gz FJLFUGNWORCSRE-YJBOKZPZSA-N 0 0 344.407 4.207 50 30 EIEARN Cc1nc(SCC(=O)Nc2cccc(Cl)c2)c(C#N)c(C)c1C ZINC000005172633 563999908 /nfs/dbraw/zinc/99/99/08/563999908.db2.gz GHJSEOKUNWXKOJ-UHFFFAOYSA-N 0 0 345.855 4.263 50 30 EIEARN C=CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC ZINC000005173523 563999962 /nfs/dbraw/zinc/99/99/62/563999962.db2.gz XERZSVWMOCOBDB-AQTBWJFISA-N 0 0 348.402 4.066 50 30 EIEARN C=C(C)CN(CC)C(=O)CSc1nc2cccc3cccc([nH]1)c32 ZINC000005196883 564000323 /nfs/dbraw/zinc/00/03/23/564000323.db2.gz PWVHDVHVVDOPFI-UHFFFAOYSA-N 0 0 339.464 4.233 50 30 EIEARN CSCc1cc(C(O)=C(C#N)c2nc3ccccc3[nH]2)ccc1F ZINC000080252194 564001039 /nfs/dbraw/zinc/00/10/39/564001039.db2.gz OXPCPQXMMWBAEP-ZDUSSCGKSA-N 0 0 339.395 4.055 50 30 EIEARN N#Cc1cc2c(nc1SCc1ccccc1Cl)CCCC2=O ZINC000000079418 564001056 /nfs/dbraw/zinc/00/10/56/564001056.db2.gz CRJFIZRHZREKQR-UHFFFAOYSA-N 0 0 328.824 4.418 50 30 EIEARN N#Cc1c(Cl)nc(N=NCc2ccc(O)cc2)c(Cl)c1Cl ZINC000005295957 564002371 /nfs/dbraw/zinc/00/23/71/564002371.db2.gz UBYTUJUDLKDMIU-NGYBGAFCSA-N 0 0 341.585 4.065 50 30 EIEARN COc1cc(/N=C\c2cc(Cl)ccc2O)c(OC)cc1Cl ZINC000005291468 564002391 /nfs/dbraw/zinc/00/23/91/564002391.db2.gz RCQOXPDGDOZNLS-LSCVHKIXSA-N 0 0 326.179 4.467 50 30 EIEARN COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000005629782 564006768 /nfs/dbraw/zinc/00/67/68/564006768.db2.gz FLGJKSGCZBMKCA-CQSZACIVSA-N 0 0 346.386 4.126 50 30 EIEARN C=CCn1c2ccccc2n2c(C(=O)c3ccc(C)cc3)c(C)nc12 ZINC000005634857 564006825 /nfs/dbraw/zinc/00/68/25/564006825.db2.gz HNBJXJWIDQYUPD-UHFFFAOYSA-N 0 0 329.403 4.323 50 30 EIEARN CCOC(=O)c1ccc(Nc2c(C#N)cnc3ccc(C)cc32)cc1 ZINC000017306595 564011576 /nfs/dbraw/zinc/01/15/76/564011576.db2.gz BLHZTGAHDBKJNM-UHFFFAOYSA-N 0 0 331.375 4.335 50 30 EIEARN C[C@H](NC(=O)c1scnc1C1CCCC1)c1ccc(C#N)cc1 ZINC000225584441 564017704 /nfs/dbraw/zinc/01/77/04/564017704.db2.gz SBPLANMHIPIONY-LBPRGKRZSA-N 0 0 325.437 4.163 50 30 EIEARN COc1cc2c(cc1OC)[C@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000018197244 564018698 /nfs/dbraw/zinc/01/86/98/564018698.db2.gz MFUSKTZICVNKBV-GOSISDBHSA-N 0 0 341.432 4.330 50 30 EIEARN COc1cc2c(c(OC)c1)[C@@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000018200045 564018766 /nfs/dbraw/zinc/01/87/66/564018766.db2.gz ALBWOZKSJQVSCD-IBGZPJMESA-N 0 0 341.432 4.330 50 30 EIEARN CCCOc1ccc(NC=CC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000101405656 564019423 /nfs/dbraw/zinc/01/94/23/564019423.db2.gz WRLKMROJFQEVSA-QXMHVHEDSA-N 0 0 341.407 4.301 50 30 EIEARN CC/N=C1/S/C(=C\c2cc(C(C)C)c(OC)cc2C)C(=O)N1CC ZINC000101696222 564019504 /nfs/dbraw/zinc/01/95/04/564019504.db2.gz WTAFHYYWYDQBIL-GDOHLEIWSA-N 0 0 346.496 4.439 50 30 EIEARN CCOC(=O)c1ccc(NC=CC(=O)c2ccc(OCC)cc2)cc1 ZINC000103030176 564021201 /nfs/dbraw/zinc/02/12/01/564021201.db2.gz XRSDLMHIGBEXII-YPKPFQOOSA-N 0 0 339.391 4.071 50 30 EIEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000000532060 564021662 /nfs/dbraw/zinc/02/16/62/564021662.db2.gz SNMCYHILAIBBER-INIZCTEOSA-N 0 0 331.419 4.051 50 30 EIEARN COc1ccc(C(=O)/C=C\c2ccc(OC(C)C)cc2)cc1OC ZINC000103499614 564022520 /nfs/dbraw/zinc/02/25/20/564022520.db2.gz YDCUNMOHIDCJEM-XFFZJAGNSA-N 0 0 326.392 4.387 50 30 EIEARN CCOc1ccc(Nc2oc(-c3ccc(OC)cc3)nc2C#N)cc1 ZINC000000544569 564022623 /nfs/dbraw/zinc/02/26/23/564022623.db2.gz DSVFMNLMOGJBDZ-UHFFFAOYSA-N 0 0 335.363 4.364 50 30 EIEARN Oc1ccc(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)cc1 ZINC000000547464 564022762 /nfs/dbraw/zinc/02/27/62/564022762.db2.gz QWWJWVJTLYZPNJ-CAOOACKPSA-N 0 0 340.235 4.020 50 30 EIEARN CCOc1ccc2c(c1)C(=O)C(=C(C)NCCc1ccccc1)S2 ZINC000103810147 564023164 /nfs/dbraw/zinc/02/31/64/564023164.db2.gz GQKFCPVHVVULPT-ZHZULCJRSA-N 0 0 339.460 4.438 50 30 EIEARN C=CC/N=C1/S/C(=C\c2ccccc2O)C(=O)N1C1CCCCC1 ZINC000103886086 564023314 /nfs/dbraw/zinc/02/33/14/564023314.db2.gz PVBOCTZTXGZIFX-CAUPHXMNSA-N 0 0 342.464 4.183 50 30 EIEARN CCN1c2cc3c(cc2S/C1=C\C(=O)c1cccs1)OCO3 ZINC000005173704 564033123 /nfs/dbraw/zinc/03/31/23/564033123.db2.gz OWEDGBRIKNLMQY-APSNUPSMSA-N 0 0 331.418 4.133 50 30 EIEARN N#Cc1ccccc1NC(=O)c1cc(Br)ccc1Cl ZINC000000308463 564033549 /nfs/dbraw/zinc/03/35/49/564033549.db2.gz JYOLQTUXNSVIFM-UHFFFAOYSA-N 0 0 335.588 4.226 50 30 EIEARN N#Cc1c(N)nc2c(-c3ccc(Cl)cc3)cnn2c1-c1ccccc1 ZINC000015085309 564053311 /nfs/dbraw/zinc/05/33/11/564053311.db2.gz AYQSLXVRAACVDJ-UHFFFAOYSA-N 0 0 345.793 4.171 50 30 EIEARN CC(=O)N[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257358203 564055984 /nfs/dbraw/zinc/05/59/84/564055984.db2.gz SDLZQPJEYFVSOQ-COXXTLHVSA-N 0 0 329.484 4.023 50 30 EIEARN C=CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC ZINC000083318588 564063135 /nfs/dbraw/zinc/06/31/35/564063135.db2.gz XERZSVWMOCOBDB-QGOAFFKASA-N 0 0 348.402 4.066 50 30 EIEARN Cn1nc(C(F)(F)F)c(C#N)c1Oc1ccc(Cl)cc1Cl ZINC000001391310 564064394 /nfs/dbraw/zinc/06/43/94/564064394.db2.gz JOHCMQQIOXCPAZ-UHFFFAOYSA-N 0 0 336.100 4.410 50 30 EIEARN Cn1nc(C(F)(F)F)c(C#N)c1Oc1cccc(C(F)(F)F)c1 ZINC000001391324 564064510 /nfs/dbraw/zinc/06/45/10/564064510.db2.gz VNLLCVXNJCUPRD-UHFFFAOYSA-N 0 0 335.207 4.122 50 30 EIEARN N#CC[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(Cl)cc1 ZINC000001391642 564064526 /nfs/dbraw/zinc/06/45/26/564064526.db2.gz JVEBKVBVIZSXGO-KRWDZBQOSA-N 0 0 325.799 4.385 50 30 EIEARN C=CCC1(OC)CCN(C(=O)Nc2cc(F)ccc2Cl)CC1 ZINC000095505177 564066258 /nfs/dbraw/zinc/06/62/58/564066258.db2.gz AVCWINCMZXFOGV-UHFFFAOYSA-N 0 0 326.799 4.068 50 30 EIEARN CC(=O)c1cc(C#N)c(SCCCOc2ccccc2)nc1C ZINC000012779613 564069763 /nfs/dbraw/zinc/06/97/63/564069763.db2.gz IPZSEPNTYVVGGX-UHFFFAOYSA-N 0 0 326.421 4.026 50 30 EIEARN Cc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)c1ccc(Cl)cc1 ZINC000006046325 564072620 /nfs/dbraw/zinc/07/26/20/564072620.db2.gz PTHMJOWYQPCCAE-KRWDZBQOSA-N 0 0 340.810 4.159 50 30 EIEARN C=CCn1c(C)cc(-c2csc(NC(=O)c3ccco3)n2)c1C ZINC000012778007 564073650 /nfs/dbraw/zinc/07/36/50/564073650.db2.gz XXVUCNZILUYQRA-UHFFFAOYSA-N 0 0 327.409 4.260 50 30 EIEARN C#CCN1C(=O)S/C(=C\c2cn([C@@H](C)CC)c3ccccc23)C1=O ZINC000013880809 564074020 /nfs/dbraw/zinc/07/40/20/564074020.db2.gz IQMUFKSVNORRFO-MFVBVHDHSA-N 0 0 338.432 4.282 50 30 EIEARN C=CCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)c(C)c2)C1=O ZINC000000981721 564074637 /nfs/dbraw/zinc/07/46/37/564074637.db2.gz AQBYSHXHVSYMGF-SFQUDFHCSA-N 0 0 338.432 4.316 50 30 EIEARN C=CCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc21 ZINC000002086417 564074796 /nfs/dbraw/zinc/07/47/96/564074796.db2.gz DVFWQZMFELEWJB-UHFFFAOYSA-N 0 0 332.403 4.216 50 30 EIEARN C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(CC)cc1)C2 ZINC000002469597 564074863 /nfs/dbraw/zinc/07/48/63/564074863.db2.gz NJVYWHQRDJIEHT-MRXNPFEDSA-N 0 0 337.419 4.141 50 30 EIEARN C#CC(CC)(CC)NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000024991464 564078926 /nfs/dbraw/zinc/07/89/26/564078926.db2.gz CCWPLJOOMPPCJW-UHFFFAOYSA-N 0 0 340.471 4.057 50 30 EIEARN N#CCOc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000016066096 564079588 /nfs/dbraw/zinc/07/95/88/564079588.db2.gz CPQXDALZKVGJFS-UHFFFAOYSA-N 0 0 336.322 4.240 50 30 EIEARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1c1ccc(C#N)cn1 ZINC000075107042 564080116 /nfs/dbraw/zinc/08/01/16/564080116.db2.gz QNCKCBCYROSHCP-SFHVURJKSA-N 0 0 331.423 4.225 50 30 EIEARN C[C@@H](Cc1ccccc1)Nc1ncnc2c(C#N)c3n(c21)CCCCC3 ZINC000075271773 564081358 /nfs/dbraw/zinc/08/13/58/564081358.db2.gz WMOMBVBGUVAFLL-HNNXBMFYSA-N 0 0 345.450 4.072 50 30 EIEARN O=[N+]([O-])c1ccc(C=Nc2ccc3[nH]c(-c4ccncc4)nc3c2)cc1 ZINC000252617215 564086938 /nfs/dbraw/zinc/08/69/38/564086938.db2.gz KOORZTJVVBYXKT-UHFFFAOYSA-N 0 0 343.346 4.284 50 30 EIEARN CC1(C)Cc2c(C#N)c(N)n(-c3ccc(Cl)cc3)c(=S)c2CO1 ZINC000006671849 564095743 /nfs/dbraw/zinc/09/57/43/564095743.db2.gz QKJUGCBQLHGMHM-UHFFFAOYSA-N 0 0 345.855 4.165 50 30 EIEARN CCn1nccc1-c1cccc(-c2noc(-c3ccc(C#N)cc3)n2)c1 ZINC000065137322 564101548 /nfs/dbraw/zinc/10/15/48/564101548.db2.gz RQUNOLLSORYDFF-UHFFFAOYSA-N 0 0 341.374 4.159 50 30 EIEARN C=CCn1cc(C(=O)Oc2ccc(-c3ncc[nH]3)cc2)c2ccccc21 ZINC000065537952 564107263 /nfs/dbraw/zinc/10/72/63/564107263.db2.gz WZWLDJKRWZJEJZ-UHFFFAOYSA-N 0 0 343.386 4.437 50 30 EIEARN C=C(C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000007425135 564108354 /nfs/dbraw/zinc/10/83/54/564108354.db2.gz VXCZERYSAKCYDV-KRWDZBQOSA-N 0 0 345.446 4.441 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1cccc(C)c1 ZINC000170615351 564109963 /nfs/dbraw/zinc/10/99/63/564109963.db2.gz AVQOWIWIYUYZPH-PKOBYXMFSA-N 0 0 340.444 4.376 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccccc1F ZINC000170615202 564110013 /nfs/dbraw/zinc/11/00/13/564110013.db2.gz QRHFCBVTXGJERR-MAUKXSAKSA-N 0 0 344.407 4.207 50 30 EIEARN O=C(/C=C/c1nccn1CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000071793595 564111145 /nfs/dbraw/zinc/11/11/45/564111145.db2.gz DHALQNUCJNWVRO-SNAWJCMRSA-N 0 0 348.246 4.360 50 30 EIEARN Cc1cccc(C=NN2C(=S)N=NC2c2ccccc2Cl)c1 ZINC000005969755 564112439 /nfs/dbraw/zinc/11/24/39/564112439.db2.gz VKPUVQAPIRVONN-VCHYOVAHSA-N 0 0 328.828 4.078 50 30 EIEARN C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccc(C)cc1 ZINC000007720212 564117551 /nfs/dbraw/zinc/11/75/51/564117551.db2.gz JOCMJIUFAWHYHR-UHFFFAOYSA-N 0 0 347.418 4.182 50 30 EIEARN CCN(CC)c1ccc(C=Nc2cc([N+](=O)[O-])ccc2F)c(O)c1 ZINC000252462961 564118771 /nfs/dbraw/zinc/11/87/71/564118771.db2.gz XTQZXKFOKDNAJV-UHFFFAOYSA-N 0 0 331.347 4.036 50 30 EIEARN O=C(Oc1ccco1)c1ccc(C=Nc2ccc3c(c2)OCCO3)cc1 ZINC000252590354 564120853 /nfs/dbraw/zinc/12/08/53/564120853.db2.gz ARTPCHMZLZCXSI-UHFFFAOYSA-N 0 0 349.342 4.021 50 30 EIEARN C[C@H]1CCc2c(C#N)c(N=Cc3cc([N+](=O)[O-])cs3)sc2C1 ZINC000252600729 564121151 /nfs/dbraw/zinc/12/11/51/564121151.db2.gz DTLUXXAFUHHKCY-VIFPVBQESA-N 0 0 331.422 4.465 50 30 EIEARN Cc1cccc(C)c1N=C1S/C(=C\c2cccc(O)c2)C(=O)N1C ZINC000252618575 564122200 /nfs/dbraw/zinc/12/22/00/564122200.db2.gz LHSWYVATZJAMMB-LQRSTDMYSA-N 0 0 338.432 4.243 50 30 EIEARN CCOc1ccc(N=C2S/C(=C\c3ccco3)C(=O)N2CC)cc1 ZINC000252629851 564123540 /nfs/dbraw/zinc/12/35/40/564123540.db2.gz UOVJVXIHQBNZAL-VKCFTAOWSA-N 0 0 342.420 4.302 50 30 EIEARN CN(C)c1ccc(CC=CN=NC2=NC(C)(C)Cc3ccccc32)cc1 ZINC000252630174 564123566 /nfs/dbraw/zinc/12/35/66/564123566.db2.gz UWOSJUZJGCQFTD-KDROCMJHSA-N 0 0 346.478 4.123 50 30 EIEARN CN(C)c1ccc(C=Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000252633096 564124138 /nfs/dbraw/zinc/12/41/38/564124138.db2.gz VZGMRMKHVMAINV-UHFFFAOYSA-N 0 0 335.451 4.129 50 30 EIEARN O=C(C(=NNC(=S)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000252639055 564124606 /nfs/dbraw/zinc/12/46/06/564124606.db2.gz YIDKLUJMWQDJSF-UHFFFAOYSA-N 0 0 344.439 4.239 50 30 EIEARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(C#N)ccn1 ZINC000253406059 564130650 /nfs/dbraw/zinc/13/06/50/564130650.db2.gz VIEWLQNMYYQPIY-JTQLQIEISA-N 0 0 334.206 4.093 50 30 EIEARN C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000253427618 564131205 /nfs/dbraw/zinc/13/12/05/564131205.db2.gz CUZZSSDGHPERLP-ROUUACIJSA-N 0 0 342.483 4.429 50 30 EIEARN N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCCCCC1 ZINC000000108579 564132838 /nfs/dbraw/zinc/13/28/38/564132838.db2.gz MBTODARTXFFENS-UHFFFAOYSA-N 0 0 331.803 4.159 50 30 EIEARN Cc1cccc(OCc2nc(C#N)c(NCc3ccc(F)cc3)o2)c1 ZINC000000200363 564133033 /nfs/dbraw/zinc/13/30/33/564133033.db2.gz NWLRMGZNQNVLCA-UHFFFAOYSA-N 0 0 337.354 4.185 50 30 EIEARN CCOc1ccc(-c2nc(C#N)c(N3C[C@H](C)C[C@@H](C)C3)o2)cc1 ZINC000000467522 564133268 /nfs/dbraw/zinc/13/32/68/564133268.db2.gz DHWLJSXMQGNKPK-ZIAGYGMSSA-N 0 0 325.412 4.094 50 30 EIEARN CC(=O)COc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N ZINC000012948525 564135702 /nfs/dbraw/zinc/13/57/02/564135702.db2.gz KIHMPHDTLMIQSV-UHFFFAOYSA-N 0 0 334.400 4.317 50 30 EIEARN O=C(NCc1cc2cc(F)ccc2s1)[C@H]1CCc2n[nH]cc2C1 ZINC000328590327 564136693 /nfs/dbraw/zinc/13/66/93/564136693.db2.gz GQEAYFKPYNLWEN-JTQLQIEISA-N 0 0 329.400 4.025 50 30 EIEARN O=C(Nc1nc2ccc(Cl)nc2s1)c1cccnc1Cl ZINC000328590072 564136713 /nfs/dbraw/zinc/13/67/13/564136713.db2.gz JNHKXUGJFYSWPN-UHFFFAOYSA-N 0 0 325.180 4.029 50 30 EIEARN C=C[C@H](CC(=O)N1CCC(Nc2cccc(C)n2)CC1)c1ccccc1 ZINC000095442936 564140499 /nfs/dbraw/zinc/14/04/99/564140499.db2.gz DBLBAWONSHQZDA-GOSISDBHSA-N 0 0 349.478 4.153 50 30 EIEARN CC[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000095460563 564140801 /nfs/dbraw/zinc/14/08/01/564140801.db2.gz SQJPPLVBBYXUIG-HNNXBMFYSA-N 0 0 347.378 4.420 50 30 EIEARN Cc1noc(C(C)C)c1C(=O)Nc1ccccc1SCCC#N ZINC000095944778 564142122 /nfs/dbraw/zinc/14/21/22/564142122.db2.gz DGRWTLRNNLNBEH-UHFFFAOYSA-N 0 0 329.425 4.365 50 30 EIEARN Cc1ccc(C)c2c1OC/C(=C/c1cnn(Cc3ccccc3)c1)C2=O ZINC000096298038 564146623 /nfs/dbraw/zinc/14/66/23/564146623.db2.gz FOZJAQULACZKMR-GRSHGNNSSA-N 0 0 344.414 4.207 50 30 EIEARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C#N)cc1 ZINC000002582321 564151074 /nfs/dbraw/zinc/15/10/74/564151074.db2.gz NVZRTHVBFIMHSV-UHFFFAOYSA-N 0 0 337.766 4.427 50 30 EIEARN CCCCCOc1ccccc1[C@H](O)CC#CCCCC(=O)OC ZINC000028526495 564151150 /nfs/dbraw/zinc/15/11/50/564151150.db2.gz ZQRYAWVNSTVEIJ-GOSISDBHSA-N 0 0 332.440 4.026 50 30 in-vitro EIEARN C=C(C)CSc1nnc(-c2cccnc2)n1-c1ccccc1F ZINC000002624720 564151269 /nfs/dbraw/zinc/15/12/69/564151269.db2.gz NREQGVVRHPRVEN-UHFFFAOYSA-N 0 0 326.400 4.137 50 30 EIEARN CSc1nnc(C(F)F)n1/N=C/c1ccc(Cl)cc1Cl ZINC000002789471 564152664 /nfs/dbraw/zinc/15/26/64/564152664.db2.gz BMJSCPSNSRDMEH-FZSIALSZSA-N 0 0 337.182 4.127 50 30 EIEARN Cc1cc(C)nc(C(C#N)C(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)n1 ZINC000230094827 564154468 /nfs/dbraw/zinc/15/44/68/564154468.db2.gz VONMVFLIILYWJU-IPMKNSEASA-N 0 0 333.435 4.197 50 30 EIEARN CCCCC[C@H]1SC(NN=Cc2ccc(C(C)C)cc2)=NC1=O ZINC000003079904 564155034 /nfs/dbraw/zinc/15/50/34/564155034.db2.gz IXAOFSQUORFHHG-PUMYGXPMSA-N 0 0 331.485 4.312 50 30 EIEARN Cc1ccc(-c2cc(C#N)c(=O)n(Cc3ccc(Cl)cc3)c2)cc1 ZINC000003133744 564155354 /nfs/dbraw/zinc/15/53/54/564155354.db2.gz WBQZNVVKPUDFCU-UHFFFAOYSA-N 0 0 334.806 4.397 50 30 EIEARN CC(C)(C)C(=O)OC1=C(Sc2ccccc2[N+](=O)[O-])C(=O)CCC1 ZINC000003216882 564156093 /nfs/dbraw/zinc/15/60/93/564156093.db2.gz HQISVUSYTPUANC-UHFFFAOYSA-N 0 0 349.408 4.241 50 30 EIEARN N#CCOC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000003281972 564156894 /nfs/dbraw/zinc/15/68/94/564156894.db2.gz GOWWZIJAWMECLB-UHFFFAOYSA-N 0 0 328.780 4.297 50 30 EIEARN N#Cc1cccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)c1 ZINC000031157761 564158989 /nfs/dbraw/zinc/15/89/89/564158989.db2.gz MMYDAGVIUZUISE-UHFFFAOYSA-N 0 0 340.426 4.443 50 30 EIEARN CO[C@](C)(C(=O)C(C#N)c1nc2ccccc2s1)c1ccccc1 ZINC000069697510 564171478 /nfs/dbraw/zinc/17/14/78/564171478.db2.gz DNKHGTCLNNKHFC-KUHUBIRLSA-N 0 0 336.416 4.034 50 30 EIEARN CN(Cc1ccccc1)c1ccc(NC(=O)N2CCC(C#N)CC2)cc1 ZINC000069704692 564171680 /nfs/dbraw/zinc/17/16/80/564171680.db2.gz NDKRQTOFTFNDQV-UHFFFAOYSA-N 0 0 348.450 4.090 50 30 EIEARN CC(C)c1ccc2c(c1)C(=NNCc1cc(F)ccc1F)C(=O)N2 ZINC000070037297 564173423 /nfs/dbraw/zinc/17/34/23/564173423.db2.gz NYEIZBYFTBSPOE-UHFFFAOYSA-N 0 0 329.350 4.184 50 30 EIEARN Cc1ccccc1-c1nnc(SCc2cn3ccccc3c2C#N)o1 ZINC000078391144 564176940 /nfs/dbraw/zinc/17/69/40/564176940.db2.gz IJDXNBIHXRJNGL-UHFFFAOYSA-N 0 0 346.415 4.462 50 30 EIEARN CCC(=NNC(=S)Nc1cc(C)ccc1C)c1ccc(O)cc1 ZINC000263630577 1032308525 /nfs/dbraw/zinc/30/85/25/1032308525.db2.gz JPIRCBUQOSVXOU-UHFFFAOYSA-N 0 0 327.453 4.110 50 30 EIEARN C[C@H](Nc1nc(Cl)c(C#N)s1)c1ccc(NC(=O)C2CC2)cc1 ZINC000286048485 1018898398 /nfs/dbraw/zinc/89/83/98/1018898398.db2.gz HQCQKVXAZDKVSN-VIFPVBQESA-N 0 0 346.843 4.190 50 30 EIEARN COc1cccc(C=NN(Cc2ccccc2)c2ccccc2)c1O ZINC000254908121 1019378403 /nfs/dbraw/zinc/37/84/03/1019378403.db2.gz OFJAOOUGRUYSLA-UHFFFAOYSA-N 0 0 332.403 4.442 50 30 EIEARN [O-]C(=[NH+][C@H]1CCCc2occc21)N1CCCn2c(cc3ccccc32)C1 ZINC000329240110 1022574765 /nfs/dbraw/zinc/57/47/65/1022574765.db2.gz MKYZBRZMFPXWMI-SFHVURJKSA-N 0 0 349.434 4.432 50 30 EIEARN O=C(N[C@H]1CCOc2c(Cl)cccc21)c1cccnc1C1CC1 ZINC000329652706 1023516863 /nfs/dbraw/zinc/51/68/63/1023516863.db2.gz LFANBHUYKNSXFU-HNNXBMFYSA-N 0 0 328.799 4.441 50 30 EIEARN O=C(N[C@H]1CCCOc2c(F)cccc21)[C@H]1CCC(=O)c2cccn21 ZINC000329858889 1023608115 /nfs/dbraw/zinc/60/81/15/1023608115.db2.gz OJHILOWLEBEIPC-GOEBONIOSA-N 0 0 342.370 4.015 50 30 EIEARN CO[C@@H]1CCC[C@@H](CC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)C1 ZINC000331049022 1023642241 /nfs/dbraw/zinc/64/22/41/1023642241.db2.gz HEGVRGVUPVZFCT-LZQZEXGQSA-N 0 0 342.483 4.260 50 30 EIEARN O=C1CS/C(=C2/CC/C(=C\c3ccccc3)C2=O)N1c1ccccc1 ZINC000105868018 1025929511 /nfs/dbraw/zinc/92/95/11/1025929511.db2.gz CISVIVPFMWAXOI-GCNHKXQDSA-N 0 0 347.439 4.425 50 30 EIEARN Cc1ccc(C2=NO[C@H](CNC(=O)c3c(F)cccc3Cl)C2)cc1 ZINC000328586304 1026287310 /nfs/dbraw/zinc/28/73/10/1026287310.db2.gz WBRLYBBSXZJSGY-ZDUSSCGKSA-N 0 0 346.789 4.285 50 30 EIEARN CCSc1ccccc1C(=O)/C=C/c1cc(OC)c(O)c(OC)c1 ZINC000079106464 1027827864 /nfs/dbraw/zinc/82/78/64/1027827864.db2.gz IIICZBYOTHCFHL-MDZDMXLPSA-N 0 0 344.432 4.418 50 30 EIEARN Cc1nn(Cc2ccccc2)c(C)c1/C=C1\Cc2ccccc2C1=O ZINC000007742160 1030312066 /nfs/dbraw/zinc/31/20/66/1030312066.db2.gz CCORHDYMHFWULE-CPNJWEJPSA-N 0 0 328.415 4.371 50 30 EIEARN O=C(/C=C/c1cc(Br)cs1)c1ccc2c(c1)OCO2 ZINC000013140919 1031417905 /nfs/dbraw/zinc/41/79/05/1031417905.db2.gz XLDJNOLOARUFRX-NSCUHMNNSA-N 0 0 337.194 4.135 50 30 EIEARN O=[N+]([O-])c1ccccc1N=NC=C(Br)Cc1ccccc1 ZINC000254606852 1034434485 /nfs/dbraw/zinc/43/44/85/1034434485.db2.gz PVZQZCZOOHLKSO-JXRKRAMUSA-N 0 0 346.184 4.429 50 30 EIEARN Clc1nc2ccccn2c1C=NN=c1[nH]c2ccccc2s1 ZINC000254489615 1038030840 /nfs/dbraw/zinc/03/08/40/1038030840.db2.gz GFNDDKIXIUVIGU-UHFFFAOYSA-N 0 0 327.800 4.043 50 30 EIEARN C=CCOc1ccc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000096893591 1039718667 /nfs/dbraw/zinc/71/86/67/1039718667.db2.gz YDRQYRHFUQDGJA-AUWJEWJLSA-N 0 0 347.414 4.274 50 30 EIEARN O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccc2c(c1)NC(=O)CO2 ZINC000096920112 1039783578 /nfs/dbraw/zinc/78/35/78/1039783578.db2.gz DURQUYQMNBZLBF-DJWKRKHSSA-N 0 0 348.185 4.220 50 30 EIEARN C=C(Cl)COc1ccc(C(=O)/C=C\c2ccc(OC)c(O)c2)cc1 ZINC000097210946 1039992413 /nfs/dbraw/zinc/99/24/13/1039992413.db2.gz JPFYOHMQNFIDKV-OQFOIZHKSA-N 0 0 344.794 4.428 50 30 EIEARN N#Cc1ccc(C(=O)Nc2cccc(/C=C\c3ccccn3)c2)cc1 ZINC000033477092 1047343766 /nfs/dbraw/zinc/34/37/66/1047343766.db2.gz JMVLRDSHYSYXMU-XFXZXTDPSA-N 0 0 325.371 4.376 50 30 EIEARN O=C1c2c3cc(F)ccc3[nH]c2CC/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000026433421 1047368316 /nfs/dbraw/zinc/36/83/16/1047368316.db2.gz LZVVQMFJASGDBP-FMIVXFBMSA-N 0 0 336.322 4.428 50 30 EIEARN C=C(C)C[C@@H](C)C(=O)NCCCCc1nc(-c2ccccn2)cs1 ZINC000585125774 1049592385 /nfs/dbraw/zinc/59/23/85/1049592385.db2.gz FHUDVAMDVLWMIQ-OAHLLOKOSA-N 0 0 343.496 4.246 50 30 EIEARN C=C(C)C[C@H](C)C(=O)NCCCCc1nc(-c2ccccn2)cs1 ZINC000585125773 1049592563 /nfs/dbraw/zinc/59/25/63/1049592563.db2.gz FHUDVAMDVLWMIQ-HNNXBMFYSA-N 0 0 343.496 4.246 50 30 EIEARN C#CCCC1(CCC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)N=N1 ZINC000952881047 1049681634 /nfs/dbraw/zinc/68/16/34/1049681634.db2.gz KMOQAPXAHDLUNR-OTWHNJEPSA-N 0 0 335.451 4.137 50 30 EIEARN C=C(C)CSc1nnc(NC(=O)c2cccc(Cl)c2)s1 ZINC000006837624 1055294194 /nfs/dbraw/zinc/29/41/94/1055294194.db2.gz KKYREDMRQWRBTG-UHFFFAOYSA-N 0 0 325.846 4.112 50 30 EIEARN CC/N=C1\S/C(=C/c2cc(C(C)C)c(OC)cc2C)C(=O)N1CC ZINC000004704700 210255195 /nfs/dbraw/zinc/25/51/95/210255195.db2.gz WTAFHYYWYDQBIL-KRICTJEJSA-N 0 0 346.496 4.439 50 30 EIEARN Cc1ccccc1NC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O ZINC000004706975 210255321 /nfs/dbraw/zinc/25/53/21/210255321.db2.gz GISVONIZONNALA-UHFFFAOYSA-N 0 0 346.430 4.184 50 30 EIEARN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3sccc3C)S2)cc1 ZINC000004704732 210254201 /nfs/dbraw/zinc/25/42/01/210254201.db2.gz SWYITMHMSKTQRF-XNTDXEJSSA-N 0 0 344.461 4.347 50 30 EIEARN CC(C)C[C@@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000097758843 219054679 /nfs/dbraw/zinc/05/46/79/219054679.db2.gz NTFTULBKHJJQAW-HNNXBMFYSA-N 0 0 337.419 4.139 50 30 EIEARN C=CCS[C@H](C)C(=O)Nc1ccccc1Sc1c(C)n[nH]c1C ZINC000055211363 214288137 /nfs/dbraw/zinc/28/81/37/214288137.db2.gz XBTLQWFVMFERCO-CYBMUJFWSA-N 0 0 347.509 4.424 50 30 EIEARN C=CCC1(CC=C)CCCC[N@H+]1Cc1ccccc1OCC(=O)[O-] ZINC000055228564 214292464 /nfs/dbraw/zinc/29/24/64/214292464.db2.gz YVMZZKDAFDSBDF-UHFFFAOYSA-N 0 0 329.440 4.027 50 30 EIEARN CC(C)=CCC[C@](C)(O)C#CCN1CCCC[C@@H]1c1cccnc1 ZINC000055231624 214292807 /nfs/dbraw/zinc/29/28/07/214292807.db2.gz AFMPMXZCZYIPAS-RTWAWAEBSA-N 0 0 326.484 4.109 50 30 EIEARN CCCCNC(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1 ZINC000004653779 210238367 /nfs/dbraw/zinc/23/83/67/210238367.db2.gz FNRCUPJDKWXXBR-UHFFFAOYSA-N 0 0 338.411 4.284 50 30 EIEARN N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccncc3)cc2)cc1 ZINC000124200955 119635635 /nfs/dbraw/zinc/63/56/35/119635635.db2.gz MGWABSUNJCEQRE-UHFFFAOYSA-N 0 0 344.374 4.067 50 30 EIEARN Oc1ccc2ccccc2c1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000100341405 219096696 /nfs/dbraw/zinc/09/66/96/219096696.db2.gz QAWUZCAQPFUKTP-PXLXIMEGSA-N 0 0 332.403 4.133 50 30 EIEARN C=CCN1C(=O)C(=NNc2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000100322634 219096966 /nfs/dbraw/zinc/09/69/66/219096966.db2.gz DSXOTDRHHMIFLX-LTGZKZEYSA-N 0 0 346.217 4.342 50 30 EIEARN O=C1c2ccccc2SC1=CNc1ccc(Br)cn1 ZINC000100366781 219097515 /nfs/dbraw/zinc/09/75/15/219097515.db2.gz GYOWNGALZYOOHA-WQLSENKSSA-N 0 0 333.210 4.086 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1cccc(Cl)c1Cl ZINC000004488847 210202567 /nfs/dbraw/zinc/20/25/67/210202567.db2.gz DGBYZCFHSTVHAT-JTQLQIEISA-N 0 0 338.234 4.240 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000004488856 210202138 /nfs/dbraw/zinc/20/21/38/210202138.db2.gz PRCGEWJABNMPBL-SNVBAGLBSA-N 0 0 338.234 4.240 50 30 EIEARN O=C1c2ccccc2S/C1=N/Nc1cccc(Br)c1 ZINC000100454851 219099765 /nfs/dbraw/zinc/09/97/65/219099765.db2.gz IEWKJEJXOHFGBX-SAPNQHFASA-N 0 0 333.210 4.163 50 30 EIEARN CCCCCCCn1c2ccccc2n(C[C@@H](O)c2ccco2)c1=N ZINC000100573090 219102240 /nfs/dbraw/zinc/10/22/40/219102240.db2.gz GANLGRNROBRFHX-GOSISDBHSA-N 0 0 341.455 4.219 50 30 EIEARN COc1ccccc1NC=C(C(=O)c1ccccc1)C(=O)C(F)(F)F ZINC000100862425 219110544 /nfs/dbraw/zinc/11/05/44/219110544.db2.gz IBJNZZDZFVFVKQ-QBFSEMIESA-N 0 0 349.308 4.005 50 30 EIEARN Cc1cc(C)c(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]1 ZINC000004390356 210185869 /nfs/dbraw/zinc/18/58/69/210185869.db2.gz IXDDFTVUJUJFDO-CNHKJKLMSA-N 0 0 326.278 4.005 50 30 EIEARN CCOc1ccc(/C=N/NC(=S)Nc2cccc(Cl)c2)cc1 ZINC000004360379 210180069 /nfs/dbraw/zinc/18/00/69/210180069.db2.gz HJYVFUGZFXUEGY-WOJGMQOQSA-N 0 0 333.844 4.059 50 30 EIEARN c1c(-c2ccccc2)sc2ncnc(N=NCc3ccncc3)c12 ZINC000004335476 210174488 /nfs/dbraw/zinc/17/44/88/210174488.db2.gz JJPSNJYKIXVUNC-SSDVNMTOSA-N 0 0 331.404 4.199 50 30 EIEARN CCn1cc2c3c1cccc3CN(C(=O)Nc1cccc(C#N)c1)CC2 ZINC000065148819 214832668 /nfs/dbraw/zinc/83/26/68/214832668.db2.gz MBJNDZIWAHWOGX-UHFFFAOYSA-N 0 0 344.418 4.123 50 30 EIEARN c1ccc2c(c1)CCC/C2=N\OCO/N=C1\CCCc2ccccc21 ZINC000004314760 210167555 /nfs/dbraw/zinc/16/75/55/210167555.db2.gz MNLLNPWQXZXYKH-DQPVQCHKSA-N 0 0 334.419 4.458 50 30 EIEARN CC1CCN(c2oc(COc3ccccc3Cl)nc2C#N)CC1 ZINC000004268531 210157011 /nfs/dbraw/zinc/15/70/11/210157011.db2.gz INSKUNAEWCTXQS-UHFFFAOYSA-N 0 0 331.803 4.015 50 30 EIEARN Cc1cc2c(cc1O)NC(=O)C[C@@H]2c1ccc(-c2ccccc2C#N)o1 ZINC000065419052 214904037 /nfs/dbraw/zinc/90/40/37/214904037.db2.gz IQZHNRGMBSMZJW-INIZCTEOSA-N 0 0 344.370 4.306 50 30 EIEARN CC[C@](C)(/N=C/c1ccccc1)c1nnnn1-c1c(C)cccc1C ZINC000101747705 219160920 /nfs/dbraw/zinc/16/09/20/219160920.db2.gz KQLPPPSGJPIUOT-LQOIVRHRSA-N 0 0 333.439 4.023 50 30 EIEARN C=CCN(CC=C)CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000004108440 210122375 /nfs/dbraw/zinc/12/23/75/210122375.db2.gz LCQSOBCCANNUIN-UHFFFAOYSA-N 0 0 332.447 4.124 50 30 EIEARN COc1cccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)CC3)c1 ZINC000004070054 210111589 /nfs/dbraw/zinc/11/15/89/210111589.db2.gz RSDRKKGTSWSWSD-LLVKDONJSA-N 0 0 326.421 4.005 50 30 EIEARN CCc1ccc(/C=C/C(=O)c2cc3cccc(OC)c3oc2=O)cc1 ZINC000003911131 210092093 /nfs/dbraw/zinc/09/20/93/210092093.db2.gz QOKHKFYQYJPODV-VAWYXSNFSA-N 0 0 334.371 4.260 50 30 EIEARN CCCCCCCCCC(=O)Oc1cccc(N2C(=O)CCC2=O)c1 ZINC000102063154 219183891 /nfs/dbraw/zinc/18/38/91/219183891.db2.gz NCSSTTKPAXQMAG-UHFFFAOYSA-N 0 0 345.439 4.386 50 30 EIEARN C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000003881648 210083918 /nfs/dbraw/zinc/08/39/18/210083918.db2.gz UJVLDDZCTMKXJK-WNHSNXHDSA-N 0 0 340.463 4.370 50 30 endogenous,investigational EIEARN C[C@H](C#N)Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000003412947 210031898 /nfs/dbraw/zinc/03/18/98/210031898.db2.gz LOICQASEMZSWJG-LLVKDONJSA-N 0 0 344.827 4.244 50 30 EIEARN Cn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 ZINC000003371967 210020875 /nfs/dbraw/zinc/02/08/75/210020875.db2.gz RUKNJJQSWSYIEV-UHFFFAOYSA-N 0 0 340.839 4.299 50 30 EIEARN Cc1c(/C=C/C(=O)C(F)(F)F)n2ccccc2c1C(=O)C(F)(F)F ZINC000003193903 209975922 /nfs/dbraw/zinc/97/59/22/209975922.db2.gz KUKJTFHTRGTFRD-AATRIKPKSA-N 0 0 349.230 4.137 50 30 EIEARN Cc1cc2ccccc2n1CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000067981591 215265633 /nfs/dbraw/zinc/26/56/33/215265633.db2.gz LIKRTNJPYNMRTO-UHFFFAOYSA-N 0 0 335.432 4.010 50 30 EIEARN C=CCn1c(SCCC(C)C)nc2sc3c(c2c1=O)CCC3 ZINC000002217546 209831876 /nfs/dbraw/zinc/83/18/76/209831876.db2.gz XRKHMKMVZQLBGT-UHFFFAOYSA-N 0 0 334.510 4.271 50 30 EIEARN COc1ccc(-n2c(C)c(C(C)=O)c3cc(OCC#N)ccc32)cc1 ZINC000068755377 215331092 /nfs/dbraw/zinc/33/10/92/215331092.db2.gz MGPDFOCLDQNILP-UHFFFAOYSA-N 0 0 334.375 4.053 50 30 EIEARN CCOC(=O)c1c(C)c2ccccc2nc1COc1cccc(C#N)c1 ZINC000040159359 213276252 /nfs/dbraw/zinc/27/62/52/213276252.db2.gz TWDUKOSDBFCBLY-UHFFFAOYSA-N 0 0 346.386 4.171 50 30 EIEARN Cn1ccnc1COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1 ZINC000040139537 213270677 /nfs/dbraw/zinc/27/06/77/213270677.db2.gz XGZBKXKZBZJWTO-NBVRZTHBSA-N 0 0 344.414 4.212 50 30 EIEARN CC(=O)Nc1ccc(/C=C2\C(=O)c3c(c(Cl)ccc3O)[C@H]2C)cc1 ZINC000040073251 213258194 /nfs/dbraw/zinc/25/81/94/213258194.db2.gz AAZZUZYAKGYKGH-ADVUTCEVSA-N 0 0 341.794 4.387 50 30 EIEARN CN(C)c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 ZINC000039359631 213234075 /nfs/dbraw/zinc/23/40/75/213234075.db2.gz FMTAYPVVERHHOC-IBGZPJMESA-N 0 0 336.435 4.294 50 30 EIEARN C#CCN1C(=O)S/C(=C\c2cccc(Oc3ccccc3)c2)C1=O ZINC000000979975 209696878 /nfs/dbraw/zinc/69/68/78/209696878.db2.gz JEHKALOWZYBRPD-LGMDPLHJSA-N 0 0 335.384 4.148 50 30 EIEARN N#CC(C#N)c1ccc(NC(=O)C2CCCCC2)cc1C(F)(F)F ZINC000000730742 209685206 /nfs/dbraw/zinc/68/52/06/209685206.db2.gz LPBWSUFHGGPACD-UHFFFAOYSA-N 0 0 335.329 4.355 50 30 EIEARN C=CCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1F ZINC000037526106 213154646 /nfs/dbraw/zinc/15/46/46/213154646.db2.gz NTAVNHJFAUSJCD-UHFFFAOYSA-N 0 0 328.412 4.114 50 30 EIEARN C=CCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)C(C)C ZINC000036114759 213070385 /nfs/dbraw/zinc/07/03/85/213070385.db2.gz WHSMKMHHISVVFN-UHFFFAOYSA-N 0 0 344.480 4.201 50 30 EIEARN Cc1ccc(/N=C2\NC(=O)/C(=C\c3c[nH]c4ccccc34)S2)cc1 ZINC000034221726 212975660 /nfs/dbraw/zinc/97/56/60/212975660.db2.gz YEXOYCIZRUADOZ-LICLKQGHSA-N 0 0 333.416 4.368 50 30 EIEARN CC[C@]1(c2ccc(-c3ccccc3)cc2)O[C@@H](OC(C)=O)C=CC1=O ZINC000071769377 215822795 /nfs/dbraw/zinc/82/27/95/215822795.db2.gz GTAHYLWVBMXNLQ-NHCUHLMSSA-N 0 0 336.387 4.004 50 30 EIEARN CCC(=O)Nc1cccc(-c2cc(-c3ccc(C)o3)c(C#N)c(N)n2)c1 ZINC000071760678 215816175 /nfs/dbraw/zinc/81/61/75/215816175.db2.gz JNOZOFPFNBHTLL-UHFFFAOYSA-N 0 0 346.390 4.119 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccccc1C ZINC000000428068 209592099 /nfs/dbraw/zinc/59/20/99/209592099.db2.gz YNBGRWSAGLWYGH-APWZRJJASA-N 0 0 340.444 4.376 50 30 EIEARN O=C(Nc1nc[nH]n1)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000071883642 215920749 /nfs/dbraw/zinc/92/07/49/215920749.db2.gz IQOHGBOWHDQXDX-CQSZACIVSA-N 0 0 328.372 4.065 50 30 EIEARN C=CCSc1nc2scc(-c3ccc(OC)cc3)c2c(N)n1 ZINC000032069675 212784202 /nfs/dbraw/zinc/78/42/02/212784202.db2.gz BIPBZNWUKLETHL-UHFFFAOYSA-N 0 0 329.450 4.227 50 30 EIEARN CCCc1cc(NCc2cccnc2)n2c3ccccc3nc2c1C#N ZINC000000352604 209546842 /nfs/dbraw/zinc/54/68/42/209546842.db2.gz WJUYRENXUVYLQD-UHFFFAOYSA-N 0 0 341.418 4.319 50 30 EIEARN N#Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1 ZINC000072284431 216114821 /nfs/dbraw/zinc/11/48/21/216114821.db2.gz JOJVPSBDBBZLFB-UHFFFAOYSA-N 0 0 341.370 4.314 50 30 EIEARN CC(=O)[C@@H](C)Sc1nc(-c2ccco2)cc(C(F)(F)F)c1C#N ZINC000000141945 209446610 /nfs/dbraw/zinc/44/66/10/209446610.db2.gz CJVDCDURYMZPHL-SECBINFHSA-N 0 0 340.326 4.302 50 30 EIEARN N#Cc1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1C#N ZINC000000069242 209399671 /nfs/dbraw/zinc/39/96/71/209399671.db2.gz SXYLUHXVLAHSNH-UHFFFAOYSA-N 0 0 347.381 4.345 50 30 EIEARN CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000000064685 209396693 /nfs/dbraw/zinc/39/66/93/209396693.db2.gz FYMKJXIUOQGUHW-INIZCTEOSA-N 0 0 340.448 4.295 50 30 EIEARN N#Cc1cccc(-c2nccn2CCCc2nc3cc(F)ccc3[nH]2)c1 ZINC000072474524 216251657 /nfs/dbraw/zinc/25/16/57/216251657.db2.gz XOTCCNMIYFNUIN-UHFFFAOYSA-N 0 0 345.381 4.070 50 30 EIEARN COc1ccc(F)cc1C1=NN/C(=N\c2ccc(C)cc2C)SC1 ZINC000025175340 212464349 /nfs/dbraw/zinc/46/43/49/212464349.db2.gz CLMRLHSWILQNBM-UHFFFAOYSA-N 0 0 343.427 4.179 50 30 EIEARN Cc1noc([C@H]2CCCCN2Cc2ccc(-c3ccccc3C#N)o2)n1 ZINC000216419052 241193114 /nfs/dbraw/zinc/19/31/14/241193114.db2.gz WKNUKMHZBCUGKU-GOSISDBHSA-N 0 0 348.406 4.237 50 30 EIEARN COc1ccc(C2=NN/C(=N\c3cccc(C)c3C)SC2)cc1F ZINC000021702375 212240630 /nfs/dbraw/zinc/24/06/30/212240630.db2.gz UYCYNSGQXWOCHL-UHFFFAOYSA-N 0 0 343.427 4.179 50 30 EIEARN C=CCNc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1[N+](=O)[O-] ZINC000020897694 212183827 /nfs/dbraw/zinc/18/38/27/212183827.db2.gz NGGDPXMYTVBPAL-UHFFFAOYSA-N 0 0 336.351 4.218 50 30 EIEARN C/C(=N\NC(=S)Nc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000020615107 212156382 /nfs/dbraw/zinc/15/63/82/212156382.db2.gz KRURYIOLJIPTCQ-SRZZPIQSSA-N 0 0 337.370 4.416 50 30 EIEARN C#CCN(Cc1ccco1)Cc1nc(-c2cc(F)ccc2F)oc1C ZINC000019221824 212006332 /nfs/dbraw/zinc/00/63/32/212006332.db2.gz JQNDGTARORHDSQ-UHFFFAOYSA-N 0 0 342.345 4.157 50 30 EIEARN C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)C2CC2)[C@H]1c1ccccc1 ZINC000016839810 211937173 /nfs/dbraw/zinc/93/71/73/211937173.db2.gz VZEOFGFZBYMHKK-IFXJQAMLSA-N 0 0 347.414 4.122 50 30 EIEARN C=C(Cl)C[S@](=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000084157262 217580313 /nfs/dbraw/zinc/58/03/13/217580313.db2.gz NUQLYGSKHIJMQU-OAQYLSRUSA-N 0 0 341.885 4.032 50 30 EIEARN C=CCOc1cccc(NC(=O)c2ccccc2Br)c1 ZINC000012137950 211301553 /nfs/dbraw/zinc/30/15/53/211301553.db2.gz CAUYGTYOHLQRGH-UHFFFAOYSA-N 0 0 332.197 4.266 50 30 EIEARN C=CCN1C(=O)c2oc3cc(C)ccc3c(=O)c2[C@H]1c1ccc(C)cc1 ZINC000012062506 211285364 /nfs/dbraw/zinc/28/53/64/211285364.db2.gz QEWMETWSBSFMDU-LJQANCHMSA-N 0 0 345.398 4.141 50 30 EIEARN COc1ccc([C@H]2CCCN2Cc2ccc(C#N)cc2F)c(OC)c1 ZINC000011439954 211216939 /nfs/dbraw/zinc/21/69/39/211216939.db2.gz LBJGMAAVPFZXHT-LJQANCHMSA-N 0 0 340.398 4.052 50 30 EIEARN N#Cc1ccc(/C=C/C(=O)Nc2ccccc2OC(F)(F)F)cc1 ZINC000009155729 211046251 /nfs/dbraw/zinc/04/62/51/211046251.db2.gz TURGXNJNAVGJNR-MDZDMXLPSA-N 0 0 332.281 4.109 50 30 EIEARN CCN(CC)c1ccc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc1 ZINC000007586975 210816276 /nfs/dbraw/zinc/81/62/76/210816276.db2.gz CJLMWSVMRZZAJH-SDNWHVSQSA-N 0 0 336.435 4.387 50 30 EIEARN C=C(C)C[C@H](c1ccco1)N(C(=O)N(C)C)c1ccc(OC)cc1 ZINC000006719862 210690631 /nfs/dbraw/zinc/69/06/31/210690631.db2.gz RFWIKKHRCFPCRH-QGZVFWFLSA-N 0 0 328.412 4.484 50 30 EIEARN CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C/c1ccc(CC)cc1)CC2 ZINC000006560958 210654283 /nfs/dbraw/zinc/65/42/83/210654283.db2.gz LGKAUVAVPUMWIY-FOWTUZBSSA-N 0 0 337.419 4.275 50 30 EIEARN CC(=O)COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O ZINC000005390082 210454951 /nfs/dbraw/zinc/45/49/51/210454951.db2.gz NMJOEUJVZHFFNH-IUXPMGMMSA-N 0 0 346.741 4.063 50 30 EIEARN O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000096920115 218899325 /nfs/dbraw/zinc/89/93/25/218899325.db2.gz WVIGQHFCNHFMKB-DJWKRKHSSA-N 0 0 348.185 4.220 50 30 EIEARN CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000096766912 218889716 /nfs/dbraw/zinc/88/97/16/218889716.db2.gz RBKDTKPYPKOEQI-WCIBSUBMSA-N 0 0 331.318 4.143 50 30 EIEARN Cc1ccc(-c2nc3ccccc3c(N=NCc3ccncc3)n2)cc1 ZINC000004989559 210351513 /nfs/dbraw/zinc/35/15/13/210351513.db2.gz ZPFXHTBDRLJLTR-OEAKJJBVSA-N 0 0 339.402 4.446 50 30 EIEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccs2)cc1 ZINC000004987362 210351292 /nfs/dbraw/zinc/35/12/92/210351292.db2.gz GXVNNANKMAUPMG-CABCVRRESA-N 0 0 337.444 4.061 50 30 EIEARN C=C(C)[C@H]1CC=C(CN2CCN(c3ccc(C(C)=O)cc3)CC2)CC1 ZINC000004980628 210348524 /nfs/dbraw/zinc/34/85/24/210348524.db2.gz RTQLAEOHRBJJQB-FQEVSTJZSA-N 0 0 338.495 4.314 50 30 EIEARN COc1ccccc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000000035642 208553327 /nfs/dbraw/zinc/55/33/27/208553327.db2.gz TZGRUOVKSLGAAU-LLVKDONJSA-N 0 0 326.421 4.005 50 30 EIEARN O=c1sc(C=NNc2ccccc2)c(Cl)n1Cc1ccccc1 ZINC000004900577 210315380 /nfs/dbraw/zinc/31/53/80/210315380.db2.gz WHBTUJJOXPAIET-YBFXNURJSA-N 0 0 343.839 4.058 50 30 EIEARN N#C[C@H](C(=O)CC12CC3CC(CC(C3)C1)C2)c1nc2ccccc2[nH]1 ZINC000004864033 210304442 /nfs/dbraw/zinc/30/44/42/210304442.db2.gz GNVPQHLNFBNRRG-HIHZZFLASA-N 0 0 333.435 4.346 50 30 EIEARN N#Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c(F)c1 ZINC000004842491 210296609 /nfs/dbraw/zinc/29/66/09/210296609.db2.gz VRPXXYRCGPOMQS-UHFFFAOYSA-N 0 0 343.789 4.203 50 30 EIEARN CN(C)c1ccc(-n2cccc2/C=N/c2ccc3c(c2)OCO3)cc1 ZINC000004748948 210269449 /nfs/dbraw/zinc/26/94/49/210269449.db2.gz NIRNYNGGMAYAIT-FYJGNVAPSA-N 0 0 333.391 4.023 50 30 EIEARN CCSC1=N/C(=C\c2ccc(Br)s2)C(=O)S1 ZINC000004755386 210272141 /nfs/dbraw/zinc/27/21/41/210272141.db2.gz AMZNLGOYWZFZGF-ALCCZGGFSA-N 0 0 334.285 4.234 50 30 EIEARN C=CCSc1ccccc1C(=O)Nc1cc(OC)ccc1OC ZINC000006746198 257951329 /nfs/dbraw/zinc/95/13/29/257951329.db2.gz RNNGFROPLBHQHW-UHFFFAOYSA-N 0 0 329.421 4.234 50 30 EIEARN Cc1cnc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1 ZINC000173240522 257954645 /nfs/dbraw/zinc/95/46/45/257954645.db2.gz UTBUVDASIBMYJD-UHFFFAOYSA-N 0 0 335.382 4.196 50 30 EIEARN COc1cc(C)c(-c2cccc(C(=O)N3CCC[C@@H](C#N)C3)c2)cc1C ZINC000426720009 257957760 /nfs/dbraw/zinc/95/77/60/257957760.db2.gz RQYXZYCXFMXAPH-KRWDZBQOSA-N 0 0 348.446 4.355 50 30 EIEARN CC(C[C@@H]1CC(C)(C)OC1=O)N=Nc1nc(-c2ccccc2)cs1 ZINC000005149051 257927972 /nfs/dbraw/zinc/92/79/72/257927972.db2.gz SQMFKXYGJMHGHJ-FAPYRAKZSA-N 0 0 343.452 4.330 50 30 EIEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Nc1ccccc1 ZINC000006704036 258044938 /nfs/dbraw/zinc/04/49/38/258044938.db2.gz JKLDNLXJAYZBCZ-UHFFFAOYSA-N 0 0 348.406 4.265 50 30 EIEARN Cc1cc(C(=O)Nc2csc(-c3ccncc3)n2)cc([N+](=O)[O-])c1 ZINC000330032395 258002113 /nfs/dbraw/zinc/00/21/13/258002113.db2.gz MMMRCYRHYJUCKK-UHFFFAOYSA-N 0 0 340.364 4.058 50 30 EIEARN CCSCCCNC(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000330032543 258002665 /nfs/dbraw/zinc/00/26/65/258002665.db2.gz PCABLMGNLFWAAF-UHFFFAOYSA-N 0 0 347.440 4.385 50 30 EIEARN O=C(Nc1ccsc1)[C@@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000330031867 258003056 /nfs/dbraw/zinc/00/30/56/258003056.db2.gz FFSRFDXVQFTBQS-OAHLLOKOSA-N 0 0 346.456 4.207 50 30 EIEARN C#C[C@@]1(O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@]4(C)O)[C@H]3CC[C@H]2C1 ZINC000253604719 258014964 /nfs/dbraw/zinc/01/49/64/258014964.db2.gz DJTOPBVAPKKSCO-VCRFCNJVSA-N 0 0 330.512 4.144 50 30 EIEARN C(C#CCOC/C=C/c1ccccc1)#CCOC/C=C/c1ccccc1 ZINC000002182879 258017061 /nfs/dbraw/zinc/01/70/61/258017061.db2.gz LCANUNCCXVNBEB-JYFOCSDGSA-N 0 0 342.438 4.453 50 30 EIEARN Cc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc(C)c1O ZINC000007350191 258053144 /nfs/dbraw/zinc/05/31/44/258053144.db2.gz FGWAHTIJYLRSKW-CMDGGOBGSA-N 0 0 335.403 4.032 50 30 EIEARN CCn1c(Cc2ccccc2)nnc1SCc1cccc(C#N)c1 ZINC000008747944 258053756 /nfs/dbraw/zinc/05/37/56/258053756.db2.gz NMWLAGQVWJPJRI-UHFFFAOYSA-N 0 0 334.448 4.053 50 30 EIEARN C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21C ZINC000253531243 258073511 /nfs/dbraw/zinc/07/35/11/258073511.db2.gz IMONTRJLAWHYGT-OGDHSWOFSA-N 0 0 340.463 4.063 50 30 EIEARN CC(=O)Nc1ccc(/C=C2\CSc3ccc(F)cc3C2=O)cc1 ZINC000007713528 517360983 /nfs/dbraw/zinc/36/09/83/517360983.db2.gz NOGOBPKVNQYXRZ-MDWZMJQESA-N 0 0 327.380 4.156 50 30 EIEARN C=C(C)COc1ccccc1C(=O)N1CCC(c2ccncc2)CC1 ZINC000055183060 518621427 /nfs/dbraw/zinc/62/14/27/518621427.db2.gz YYUPFNOVGKHNGG-UHFFFAOYSA-N 0 0 336.435 4.056 50 30 EIEARN C=CCC1(CC=C)CCCN1C(=O)CC(=O)Nc1ccc(C)cc1C ZINC000055359051 518689694 /nfs/dbraw/zinc/68/96/94/518689694.db2.gz DDUFJOKLUMLORX-UHFFFAOYSA-N 0 0 340.467 4.145 50 30 EIEARN C=CCC[C@@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104217 518718882 /nfs/dbraw/zinc/71/88/82/518718882.db2.gz AKGYGGACYBPOCX-LJQANCHMSA-N 0 0 349.396 4.433 50 30 EIEARN C=CCN(C(=O)CCOc1ccccc1)c1nc2c(s1)CCCC2 ZINC000006880002 518730372 /nfs/dbraw/zinc/73/03/72/518730372.db2.gz DGASSXCZABWVNE-UHFFFAOYSA-N 0 0 342.464 4.010 50 30 EIEARN C=CCNC(=O)[C@H](C)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000028889594 518924787 /nfs/dbraw/zinc/92/47/87/518924787.db2.gz BYNAQVVURSWISD-ZDUSSCGKSA-N 0 0 330.815 4.235 50 30 EIEARN C=CCSc1ccccc1NC(=O)Cc1cnn(-c2ccccc2)c1 ZINC000025030770 519078160 /nfs/dbraw/zinc/07/81/60/519078160.db2.gz XFAYYPJQHUBHGJ-UHFFFAOYSA-N 0 0 349.459 4.332 50 30 EIEARN C=CCn1c2ccccc2nc1SCc1nnc(-c2ccco2)o1 ZINC000005618796 519268846 /nfs/dbraw/zinc/26/88/46/519268846.db2.gz BHDSZBUXKJORSW-UHFFFAOYSA-N 0 0 338.392 4.158 50 30 EIEARN CCOC(=O)c1sc(=Nc2ccc(Cl)cc2Cl)[nH]c1C ZINC000016957302 521143026 /nfs/dbraw/zinc/14/30/26/521143026.db2.gz FXAIPGPXKTYENW-XSKXUOKSSA-N 0 0 331.224 4.120 50 30 EIEARN CCCCc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000005298645 521270023 /nfs/dbraw/zinc/27/00/23/521270023.db2.gz LZBVWSTZFGWADL-MHWRWJLKSA-N 0 0 348.384 4.353 50 30 EIEARN Cc1ccccc1CON=C(N)c1ccc(Oc2ccccc2)nc1 ZINC000058407243 525170339 /nfs/dbraw/zinc/17/03/39/525170339.db2.gz GEFLYOIQFFDXJM-UHFFFAOYSA-N 0 0 333.391 4.019 50 30 EIEARN Cc1c(N=Cc2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000252460099 525823311 /nfs/dbraw/zinc/82/33/11/525823311.db2.gz BPWDRHYDVKYRHL-UHFFFAOYSA-N 0 0 325.187 4.478 50 30 EIEARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1SCCC#N ZINC000095953579 525937195 /nfs/dbraw/zinc/93/71/95/525937195.db2.gz AGNSDHYICSIPER-ZDUSSCGKSA-N 0 0 344.411 4.237 50 30 EIEARN C[C@@H](SCc1ccccc1)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000048813310 525978806 /nfs/dbraw/zinc/97/88/06/525978806.db2.gz ONLVPBRHFIBPAL-HIFRSBDPSA-N 0 0 335.432 4.061 50 30 EIEARN Cc1cc(C(=N)NOC(=O)c2ccccc2C)c(-c2ccccc2)o1 ZINC000004390693 526081006 /nfs/dbraw/zinc/08/10/06/526081006.db2.gz TUUGTMGBHUKKTA-UHFFFAOYSA-N 0 0 334.375 4.041 50 30 EIEARN [N-]=[N+]=Nc1cc2c(c(N=[N+]=[N-])c1)C(=O)N(c1ccccc1)[S@@]2=O ZINC000250842411 526390687 /nfs/dbraw/zinc/39/06/87/526390687.db2.gz GCUSKPJMBQBJAN-QHCPKHFHSA-N 0 0 325.313 4.253 50 30 EIEARN N#CCc1ccc(NC(=O)CNc2ccccc2-c2ccccc2)cc1 ZINC000011619100 526483553 /nfs/dbraw/zinc/48/35/53/526483553.db2.gz QHFJLSWCHYBYCH-UHFFFAOYSA-N 0 0 341.414 4.470 50 30 EIEARN O=C(C=CNc1ccc(F)cc1)c1ccc(Oc2ncccn2)cc1 ZINC000100417303 527598058 /nfs/dbraw/zinc/59/80/58/527598058.db2.gz SSOAYCXKDARGSX-JLHYYAGUSA-N 0 0 335.338 4.217 50 30 aggregator EIEARN O=C(C=CNCC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000004702223 527653059 /nfs/dbraw/zinc/65/30/59/527653059.db2.gz SXXLWFRUUOIOOF-HJWRWDBZSA-N 0 0 334.202 4.162 50 30 EIEARN N#Cc1cnn2c1N[C@H](c1ccc(Cl)s1)C[C@@H]2C(F)(F)F ZINC000002752150 564057839 /nfs/dbraw/zinc/05/78/39/564057839.db2.gz BHCQXQHFDSPOJU-IONNQARKSA-N 0 0 332.738 4.130 50 30 EIEARN O=C1CC(c2cccs2)CC(=O)C1=CNc1ccc(Cl)cc1 ZINC000000149231 563245732 /nfs/dbraw/zinc/24/57/32/563245732.db2.gz CRODYABNAWTSEP-UHFFFAOYSA-N 0 0 331.824 4.413 50 30 EIEARN O=c1c2cc(-c3ccccc3)sc2ncn1/N=C/c1cccs1 ZINC000000160361 563249012 /nfs/dbraw/zinc/24/90/12/563249012.db2.gz FHBHCDPKXXBZEA-VXLYETTFSA-N 0 0 337.429 4.069 50 30 EIEARN Cc1ccc([N+](=O)[O-])cc1/N=C/c1cc(Br)ccc1O ZINC000000269445 563269294 /nfs/dbraw/zinc/26/92/94/563269294.db2.gz UKTIVKFSZLXYMG-LZYBPNLTSA-N 0 0 335.157 4.122 50 30 EIEARN N#C[C@H](CC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000001397693 563386778 /nfs/dbraw/zinc/38/67/78/563386778.db2.gz LEKWTELAOCTYRX-ZDUSSCGKSA-N 0 0 332.172 4.468 50 30 EIEARN COc1ccc2c(c1)C(=O)/C(=C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000002549121 563440419 /nfs/dbraw/zinc/44/04/19/563440419.db2.gz SUCJLULCKRMSMM-ANSBUGDOSA-N 0 0 335.359 4.372 50 30 EIEARN CCC[C@@H]1CC(=O)C2=C(C1)NN=C(c1ccc(Br)cc1)C2 ZINC000005194078 563522483 /nfs/dbraw/zinc/52/24/83/563522483.db2.gz LVSUAZUDCMBZSH-NSHDSACASA-N 0 0 347.256 4.180 50 30 EIEARN O=C1CCCC(Nc2cccc(C(F)(F)F)c2)=C1Br ZINC000005224001 563523269 /nfs/dbraw/zinc/52/32/69/563523269.db2.gz UAHABKZCGNTNNC-UHFFFAOYSA-N 0 0 334.135 4.477 50 30 EIEARN CCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000008036005 563619733 /nfs/dbraw/zinc/61/97/33/563619733.db2.gz FUJLYHJROOYKRA-QGZVFWFLSA-O 0 0 344.516 4.000 50 30 endogenous,in-man EIEARN N=C(Cc1csc2ccc(Cl)cc12)NOC(=O)c1ccccc1 ZINC000008552967 563632330 /nfs/dbraw/zinc/63/23/30/563632330.db2.gz JJWMOCLGMLPGMK-UHFFFAOYSA-N 0 0 344.823 4.226 50 30 EIEARN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(CC#N)cc1 ZINC000012380801 563659115 /nfs/dbraw/zinc/65/91/15/563659115.db2.gz JJRWXDKOADHCDR-HNNXBMFYSA-N 0 0 330.387 4.312 50 30 EIEARN O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1c[nH]c2ccccc12 ZINC000013647007 563706736 /nfs/dbraw/zinc/70/67/36/563706736.db2.gz ZTBMWEIGZAEHGC-SXGWCWSVSA-N 0 0 337.379 4.199 50 30 EIEARN COc1cc(OC)c(NC(=S)NCc2ccccc2)cc1Cl ZINC000013685271 563710808 /nfs/dbraw/zinc/71/08/08/563710808.db2.gz ZZQUPGHRVWOPTQ-UHFFFAOYSA-N 0 0 336.844 4.255 50 30 EIEARN COc1ccc(CN(C(=O)c2ccc(C#N)cc2)[C@@H](C)C2CC2)cc1 ZINC000032753980 563727620 /nfs/dbraw/zinc/72/76/20/563727620.db2.gz DMOJTRWFSHMHPA-HNNXBMFYSA-N 0 0 334.419 4.008 50 30 EIEARN COc1ccc(NC(=O)c2cccc(C#N)c2)cc1OC1CCCC1 ZINC000032787604 563733849 /nfs/dbraw/zinc/73/38/49/563733849.db2.gz JDWRRAWCFGUDDA-UHFFFAOYSA-N 0 0 336.391 4.141 50 30 EIEARN O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1cccc(F)c1 ZINC000016672858 563820242 /nfs/dbraw/zinc/82/02/42/563820242.db2.gz PVWARCLOECMVLC-ZROIWOOFSA-N 0 0 332.787 4.371 50 30 EIEARN Cc1ccc(/N=C2\NC(=O)[C@@H](Cc3cccc(Cl)c3)S2)cc1 ZINC000017040824 563829723 /nfs/dbraw/zinc/82/97/23/563829723.db2.gz QUNKENHPHCFTGG-OAHLLOKOSA-N 0 0 330.840 4.110 50 30 EIEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@@H]2c2cccc3ccccc32)C1 ZINC000018180536 563850683 /nfs/dbraw/zinc/85/06/83/563850683.db2.gz DPYHNUHLPHBZMF-LJQANCHMSA-N 0 0 344.418 4.089 50 30 EIEARN C#CCOC(=O)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC000072270411 563896198 /nfs/dbraw/zinc/89/61/98/563896198.db2.gz OBUXDILAMUOMGK-INIZCTEOSA-N 0 0 335.186 4.290 50 30 EIEARN CC[C@@H](Sc1nc2ccccc2s1)C(=O)ON=c1cc(C)o[nH]1 ZINC000000860004 563917681 /nfs/dbraw/zinc/91/76/81/563917681.db2.gz KSKPLUDIVIIFPF-LLVKDONJSA-N 0 0 349.437 4.034 50 30 EIEARN CC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O ZINC000013548351 563930028 /nfs/dbraw/zinc/93/00/28/563930028.db2.gz OBMGXBNDFFKVLY-JMIUGGIZSA-N 0 0 336.387 4.394 50 30 biogenic EIEARN CC1=NOC(=O)/C1=C\c1ccc(-c2ccccc2Br)o1 ZINC000013572505 563930394 /nfs/dbraw/zinc/93/03/94/563930394.db2.gz QEKJWVLLYXEGCP-WQLSENKSSA-N 0 0 332.153 4.025 50 30 EIEARN CCOc1ccc(C(=O)/C=C/c2cc(Br)ccc2O)cc1 ZINC000072332968 563936273 /nfs/dbraw/zinc/93/62/73/563936273.db2.gz HNHWZMNPBUHDCE-WEVVVXLNSA-N 0 0 347.208 4.450 50 30 EIEARN N#CCCCOc1cccnc1NCc1ccc(Br)cc1 ZINC000097094789 563967403 /nfs/dbraw/zinc/96/74/03/563967403.db2.gz BQEPRPYODYPWTH-UHFFFAOYSA-N 0 0 346.228 4.139 50 30 EIEARN CCOc1cc(Cl)ccc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000126698115 563967976 /nfs/dbraw/zinc/96/79/76/563967976.db2.gz NEFOWGSQIFUOAQ-UHFFFAOYSA-N 0 0 336.725 4.141 50 30 EIEARN N#C[C@H](C(=O)Nc1cccc2ccccc21)C(=O)c1ccc(Cl)o1 ZINC000128725356 563973968 /nfs/dbraw/zinc/97/39/68/563973968.db2.gz PPZLNYFBOLQHCO-ZDUSSCGKSA-N 0 0 338.750 4.047 50 30 EIEARN COCc1ccccc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000157993672 563974468 /nfs/dbraw/zinc/97/44/68/563974468.db2.gz IVASUFANOCCEKG-OAHLLOKOSA-N 0 0 349.217 4.134 50 30 EIEARN c1ccc2c(c1)-c1ccccc1C2=NN=C1CCC2(CC1)OCCO2 ZINC000043950957 563976450 /nfs/dbraw/zinc/97/64/50/563976450.db2.gz FQFADEQSZMTCLU-UHFFFAOYSA-N 0 0 332.403 4.178 50 30 EIEARN COc1ccc(Br)cc1/C=C1\Cc2ccccc2C1=O ZINC000000247155 563989430 /nfs/dbraw/zinc/98/94/30/563989430.db2.gz UHWAEMPLKXEYFL-UKTHLTGXSA-N 0 0 329.193 4.280 50 30 EIEARN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C)C3)ccc1O ZINC000000289326 563990218 /nfs/dbraw/zinc/99/02/18/563990218.db2.gz AOIBVXLIRCSRKC-KKBVUKDESA-N 0 0 326.421 4.209 50 30 EIEARN COc1ccc(OC)c(/C=N/c2cc(Cl)c(N)c(Cl)c2)c1 ZINC000000289150 563990232 /nfs/dbraw/zinc/99/02/32/563990232.db2.gz BAXPQJQJQHWQCQ-UFWORHAWSA-N 0 0 325.195 4.343 50 30 EIEARN N#Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1 ZINC000024028446 563991448 /nfs/dbraw/zinc/99/14/48/563991448.db2.gz NOYUBBSAEBTHHC-UHFFFAOYSA-N 0 0 347.399 4.124 50 30 EIEARN CC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(N(C)C)cc1 ZINC000100252419 563991608 /nfs/dbraw/zinc/99/16/08/563991608.db2.gz ZEBMTXIQUQOFLU-FYJGNVAPSA-N 0 0 349.390 4.084 50 30 EIEARN C[C@H](NCc1ccc(C#N)cc1Br)c1ccc(C#N)cc1 ZINC000408513866 563992822 /nfs/dbraw/zinc/99/28/22/563992822.db2.gz FENDXRQAJPSVKU-LBPRGKRZSA-N 0 0 340.224 4.043 50 30 EIEARN CCCCCCCCSc1nc2ccccc2n1CC(=O)CO ZINC000100551434 563993729 /nfs/dbraw/zinc/99/37/29/563993729.db2.gz ITWOGBBPTYFSSL-UHFFFAOYSA-N 0 0 334.485 4.050 50 30 EIEARN CC1=NOC(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000135923054 563997510 /nfs/dbraw/zinc/99/75/10/563997510.db2.gz JSETZDOAHLVIOA-MHWRWJLKSA-N 0 0 327.767 4.235 50 30 EIEARN CSc1nnc(CON=C2c3ccccc3-c3ccccc32)s1 ZINC000063510595 563997556 /nfs/dbraw/zinc/99/75/56/563997556.db2.gz ULTPGSQBSZUXEB-UHFFFAOYSA-N 0 0 339.445 4.210 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1cccs1 ZINC000000428059 563998829 /nfs/dbraw/zinc/99/88/29/563998829.db2.gz FJLFUGNWORCSRE-MAUKXSAKSA-N 0 0 344.407 4.207 50 30 EIEARN CC(=O)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O ZINC000005196544 564000293 /nfs/dbraw/zinc/00/02/93/564000293.db2.gz ZBTXZIUKRXKYIH-PXNMLYILSA-N 0 0 332.714 4.021 50 30 EIEARN CC[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccco3)sc2C1 ZINC000005476891 564004477 /nfs/dbraw/zinc/00/44/77/564004477.db2.gz DZNCNLDORMFRJB-WMADIVHISA-N 0 0 326.421 4.380 50 30 EIEARN COc1ccccc1C(=O)/C=C/c1cccc(OC)c1OC(F)F ZINC000006646904 564006617 /nfs/dbraw/zinc/00/66/17/564006617.db2.gz CFBWYJKNHUMJDV-ZHACJKMWSA-N 0 0 334.318 4.201 50 30 EIEARN COc1ccc([C@@H](NC(C)=C2C(=O)C[C@@H]3[C@H]2C3(C)C)C2CC2)cc1 ZINC000005638429 564006903 /nfs/dbraw/zinc/00/69/03/564006903.db2.gz KJGQFKVXAHSAKD-XSKLIYFESA-N 0 0 325.452 4.255 50 30 biogenic EIEARN CCCCCCCC[C@H](O)[C@@H](O)CCCCCCCC(=O)OC ZINC000085603898 564017683 /nfs/dbraw/zinc/01/76/83/564017683.db2.gz RITHLQKJQSKUAO-ROUUACIJSA-N 0 0 330.509 4.363 50 30 EIEARN Cc1ccc([C@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc1 ZINC000018196846 564018703 /nfs/dbraw/zinc/01/87/03/564018703.db2.gz YKAAJGMUEJTVHR-FQEVSTJZSA-N 0 0 333.387 4.288 50 30 EIEARN O=C(c1ccccc1)C1=C(c2ccccc2)C(=O)c2ccccc2C1=O ZINC000000236231 564019610 /nfs/dbraw/zinc/01/96/10/564019610.db2.gz CGQOKKARJMHAJG-UHFFFAOYSA-N 0 0 338.362 4.402 50 30 EIEARN Cc1ccccc1N=Nc1ccc(NN=C2CCCNC2=O)c(C)c1 ZINC000101902836 564019611 /nfs/dbraw/zinc/01/96/11/564019611.db2.gz PEOHINVCIYQQEL-AQQQTCOZSA-N 0 0 335.411 4.397 50 30 EIEARN C#Cc1cccc(N(C)C(=O)c2cc(-c3cccc(Cl)c3)no2)c1 ZINC000103029991 564021202 /nfs/dbraw/zinc/02/12/02/564021202.db2.gz XPAAEHDXELSUQW-UHFFFAOYSA-N 0 0 336.778 4.253 50 30 EIEARN N#Cc1nc(-c2ccco2)oc1N1CCC(Cc2ccccc2)CC1 ZINC000000533970 564022019 /nfs/dbraw/zinc/02/20/19/564022019.db2.gz CNDNZWSATQRSBA-UHFFFAOYSA-N 0 0 333.391 4.265 50 30 EIEARN O=C(C=CNc1scc2c1c(=O)oc1ccccc21)c1cccnc1 ZINC000104654152 564023944 /nfs/dbraw/zinc/02/39/44/564023944.db2.gz XYSXAEUFIOJQKX-CLFYSBASSA-N 0 0 348.383 4.211 50 30 EIEARN COc1ccc(OC)c(C(=O)C=CNc2cc(Cl)ccc2C)c1 ZINC000051318586 564024457 /nfs/dbraw/zinc/02/44/57/564024457.db2.gz DBEULLVFEPTSDH-CMDGGOBGSA-N 0 0 331.799 4.474 50 30 EIEARN COc1ccc(OC)c(C(=O)C=CNc2c(C)cccc2Cl)c1 ZINC000051318588 564024491 /nfs/dbraw/zinc/02/44/91/564024491.db2.gz WKRRKCGROCABRU-MDZDMXLPSA-N 0 0 331.799 4.474 50 30 EIEARN O=C(C(=CNc1cccc(Cl)c1)C(=O)C(F)(F)F)c1ccco1 ZINC000105738044 564025319 /nfs/dbraw/zinc/02/53/19/564025319.db2.gz NBQZCMUBNFCQLK-DHZHZOJOSA-N 0 0 343.688 4.243 50 30 EIEARN COc1ccc([C@@H]2C[C@H]2C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1 ZINC000106643839 564026579 /nfs/dbraw/zinc/02/65/79/564026579.db2.gz XJLSZBAHMIFTGM-XHSDSOJGSA-N 0 0 348.427 4.285 50 30 EIEARN COc1ccc([C@@H]2C[C@@H]2C(=O)[C@H](C#N)c2nc3ccccc3s2)cc1 ZINC000106643835 564026581 /nfs/dbraw/zinc/02/65/81/564026581.db2.gz XJLSZBAHMIFTGM-JYJNAYRXSA-N 0 0 348.427 4.285 50 30 EIEARN CC(=CC(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000108456383 564028267 /nfs/dbraw/zinc/02/82/67/564028267.db2.gz QNFWKCOBQQVTRC-OHYQPGSNSA-N 0 0 328.721 4.286 50 30 EIEARN CCN(CC)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000048161882 564029954 /nfs/dbraw/zinc/02/99/54/564029954.db2.gz CHSMQKSBBXNNFN-UHFFFAOYSA-N 0 0 337.423 4.205 50 30 EIEARN Cc1cc(C)c2c(c1)c(C)cc1nnc(SC[C@H](C#N)CCC#N)n12 ZINC000048310234 564030769 /nfs/dbraw/zinc/03/07/69/564030769.db2.gz RUMFXUFNSASEDI-HNNXBMFYSA-N 0 0 349.463 4.343 50 30 EIEARN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)no2)cc1 ZINC000000815115 564034654 /nfs/dbraw/zinc/03/46/54/564034654.db2.gz OGQZSSQLLNOTCG-UHFFFAOYSA-N 0 0 349.415 4.324 50 30 EIEARN CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C\c1ccc(Cl)cc1)CC2 ZINC000033581584 564036862 /nfs/dbraw/zinc/03/68/62/564036862.db2.gz BBPCNKULGXNZJR-RAXLEYEMSA-N 0 0 343.810 4.366 50 30 EIEARN C[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)[C@H](CCC34OCCO4)[C@H]12 ZINC000261492013 564056156 /nfs/dbraw/zinc/05/61/56/564056156.db2.gz PFJAVULBZSJLRQ-QDCLPRSXSA-N 0 0 342.479 4.283 50 30 EIEARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)Cc2cccs2)c1C#N ZINC000005921668 564056993 /nfs/dbraw/zinc/05/69/93/564056993.db2.gz BLTSSJLCPVBPFJ-UHFFFAOYSA-N 0 0 349.459 4.268 50 30 EIEARN C=CCn1c(SCC(C)C)nc2sc3c(c2c1=O)CCCC3 ZINC000003247555 564058671 /nfs/dbraw/zinc/05/86/71/564058671.db2.gz OPNRLLAFBPWSON-UHFFFAOYSA-N 0 0 334.510 4.271 50 30 EIEARN N#C[C@H](C(=O)c1ccc(Sc2ccccn2)cc1)c1ccccn1 ZINC000078556511 564062083 /nfs/dbraw/zinc/06/20/83/564062083.db2.gz WJPILHWAZRENLK-INIZCTEOSA-N 0 0 331.400 4.118 50 30 EIEARN C#CCN(Cc1ccc(C)cc1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000060100914 564065517 /nfs/dbraw/zinc/06/55/17/564065517.db2.gz VXVCXMUGANZFRH-UHFFFAOYSA-N 0 0 331.337 4.289 50 30 EIEARN COc1ccc(C(=O)C=CNc2cc(Cl)ccc2C)cc1OC ZINC000102965195 564066371 /nfs/dbraw/zinc/06/63/71/564066371.db2.gz HLHPKUIECYGFSI-HJWRWDBZSA-N 0 0 331.799 4.474 50 30 EIEARN N#Cc1ccsc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000084502134 564068319 /nfs/dbraw/zinc/06/83/19/564068319.db2.gz NXPCCEHZZJGEPA-VXGBXAGGSA-N 0 0 336.338 4.381 50 30 EIEARN O=C(NCC#Cc1ccccc1)c1cc2c(s1)-c1ccccc1CC2 ZINC000084517727 564068377 /nfs/dbraw/zinc/06/83/77/564068377.db2.gz QCIQXPSFTJVQAW-UHFFFAOYSA-N 0 0 343.451 4.295 50 30 EIEARN O=C1c2cc(C#Cc3ccccc3)ccc2-c2ccc([N+](=O)[O-])cc21 ZINC000005601019 564070594 /nfs/dbraw/zinc/07/05/94/564070594.db2.gz FVGUAPYKWCKCAI-UHFFFAOYSA-N 0 0 325.323 4.206 50 30 EIEARN O=C(Nc1ccc(C#Cc2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000001384315 564074677 /nfs/dbraw/zinc/07/46/77/564074677.db2.gz MECKKBALXGYZAM-UHFFFAOYSA-N 0 0 338.621 4.395 50 30 EIEARN C=CCN(CC=C)C(=O)c1cc(C)nc2onc(-c3ccccc3)c21 ZINC000013641764 564073984 /nfs/dbraw/zinc/07/39/84/564073984.db2.gz HLIOKADPUPLHSZ-UHFFFAOYSA-N 0 0 333.391 4.012 50 30 EIEARN C=CCC(CC=C)(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000000095881 564074454 /nfs/dbraw/zinc/07/44/54/564074454.db2.gz ZLDRHCHBRMLPGQ-UHFFFAOYSA-N 0 0 341.476 4.321 50 30 EIEARN C=CCN1C(=O)/C(=C/c2ccccc2C(F)(F)F)SC1=S ZINC000001156311 564074667 /nfs/dbraw/zinc/07/46/67/564074667.db2.gz GKGQNQBDSWJCDI-FLIBITNWSA-N 0 0 329.368 4.093 50 30 EIEARN C=CCC[C@@H]([C@H](OC)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002074661 564074807 /nfs/dbraw/zinc/07/48/07/564074807.db2.gz HXNAVZIYCCBMGV-VQTJNVASSA-N 0 0 344.476 4.491 50 30 EIEARN C/C(=N\N1C(=O)c2ccccc2NC12CCCCC2)c1ccccc1O ZINC000015837359 564076512 /nfs/dbraw/zinc/07/65/12/564076512.db2.gz REBLISQVSOKIPI-HZHRSRAPSA-N 0 0 349.434 4.345 50 30 EIEARN O=C(NCC#Cc1ccccc1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000063914652 564083150 /nfs/dbraw/zinc/08/31/50/564083150.db2.gz IHPIVOYQOPSDLD-UHFFFAOYSA-N 0 0 340.835 4.178 50 30 EIEARN C=CCOc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000006361783 564085376 /nfs/dbraw/zinc/08/53/76/564085376.db2.gz KIGOGMLOQHIZAP-UHFFFAOYSA-N 0 0 335.447 4.346 50 30 EIEARN Cc1noc(C)c1C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000016604546 564090605 /nfs/dbraw/zinc/09/06/05/564090605.db2.gz DKSSWRZYPRHUJY-UHFFFAOYSA-N 0 0 329.425 4.136 50 30 EIEARN CCOc1cc(C#N)ccc1OCC(=O)c1c(C)[nH]c2ccccc21 ZINC000006540594 564091846 /nfs/dbraw/zinc/09/18/46/564091846.db2.gz CEXJEZHKWQAAKK-UHFFFAOYSA-N 0 0 334.375 4.008 50 30 EIEARN CC1(C)Cc2c(C#N)c(NC(=O)Oc3ccccc3)sc2CO1 ZINC000006661454 564095593 /nfs/dbraw/zinc/09/55/93/564095593.db2.gz ZVODKQXVXMXHPR-UHFFFAOYSA-N 0 0 328.393 4.082 50 30 EIEARN N#Cc1ccc(C(=O)Nc2cccc(-c3noc(C4CCC4)n3)c2)cc1 ZINC000064844901 564096873 /nfs/dbraw/zinc/09/68/73/564096873.db2.gz RGRSGWQODNXSRZ-UHFFFAOYSA-N 0 0 344.374 4.128 50 30 EIEARN N#Cc1cccc(NC(=O)Nc2ncccc2OCc2ccccc2)c1 ZINC000006898809 564100970 /nfs/dbraw/zinc/10/09/70/564100970.db2.gz UGGPYOCOTMIGDI-UHFFFAOYSA-N 0 0 344.374 4.176 50 30 EIEARN N#Cc1cccc(C(=O)Oc2ccc(Cl)cc2Br)c1 ZINC000007000206 564102712 /nfs/dbraw/zinc/10/27/12/564102712.db2.gz ZYAZRIWXMWQAFG-UHFFFAOYSA-N 0 0 336.572 4.193 50 30 EIEARN Cc1ccc(C[C@@H]2CCCN(c3snc(Cl)c3C#N)C2)cc1 ZINC000065230638 564103149 /nfs/dbraw/zinc/10/31/49/564103149.db2.gz VXQPRXCYJNEGOP-AWEZNQCLSA-N 0 0 331.872 4.436 50 30 EIEARN Cc1ccc(N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c(C)c1 ZINC000170593520 564108925 /nfs/dbraw/zinc/10/89/25/564108925.db2.gz DMWFSASJJHLQET-UHFFFAOYSA-N 0 0 330.435 4.212 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1cccc(F)c1 ZINC000170615265 564110048 /nfs/dbraw/zinc/11/00/48/564110048.db2.gz RTOKJBUJALOTRM-WMZOPIPTSA-N 0 0 344.407 4.207 50 30 EIEARN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCC1 ZINC000071794754 564111141 /nfs/dbraw/zinc/11/11/41/564111141.db2.gz WIKSNDJBKXLAJL-UHFFFAOYSA-N 0 0 335.407 4.073 50 30 EIEARN C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)C2CC2)[C@H]1c1ccccc1 ZINC000016839808 564113742 /nfs/dbraw/zinc/11/37/42/564113742.db2.gz VZEOFGFZBYMHKK-AUUYWEPGSA-N 0 0 347.414 4.122 50 30 EIEARN N#Cc1ccc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1 ZINC000089878988 564114663 /nfs/dbraw/zinc/11/46/63/564114663.db2.gz ABZYNFLSKHXPSS-FQEVSTJZSA-N 0 0 333.822 4.486 50 30 EIEARN COc1ccc(C=NNC(=S)Nc2cccc(C)c2)c2ccccc12 ZINC000252463203 564118762 /nfs/dbraw/zinc/11/87/62/564118762.db2.gz ZPLCNQGLSHUUHJ-UHFFFAOYSA-N 0 0 349.459 4.477 50 30 EIEARN O=C(ON=C1CCOc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000252591178 564120952 /nfs/dbraw/zinc/12/09/52/564120952.db2.gz AYQREQLLXRMNMD-UHFFFAOYSA-N 0 0 336.174 4.337 50 30 EIEARN CCN1C(=O)/C(=C/c2ccc(C)o2)SC1=Nc1ccc(OC)cc1 ZINC000252600918 564121189 /nfs/dbraw/zinc/12/11/89/564121189.db2.gz DVWKPSKKRXSYPX-DSGQZADNSA-N 0 0 342.420 4.221 50 30 EIEARN Cc1ccc(-c2nc(CC(=O)Nc3cccc(C#N)c3)cs2)cc1 ZINC000007667544 564121721 /nfs/dbraw/zinc/12/17/21/564121721.db2.gz YAKWOSBGNCGZTM-UHFFFAOYSA-N 0 0 333.416 4.171 50 30 EIEARN NC(=O)COc1ccc(C=Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000252612053 564121831 /nfs/dbraw/zinc/12/18/31/564121831.db2.gz IPKFEEOMICJMTC-UHFFFAOYSA-N 0 0 345.402 4.045 50 30 EIEARN CC1(C)SC(=NN=Cc2c3ccccc3cc3ccccc32)NC1=O ZINC000252620550 564122358 /nfs/dbraw/zinc/12/23/58/564122358.db2.gz MGMGMOCEFBJHNV-UHFFFAOYSA-N 0 0 347.443 4.325 50 30 EIEARN O=C(c1ccc(N=Cc2c(O)cccc2Cl)cc1)N1CCCCC1 ZINC000252623958 564123065 /nfs/dbraw/zinc/12/30/65/564123065.db2.gz PCZLPQKLLBWURK-UHFFFAOYSA-N 0 0 342.826 4.422 50 30 EIEARN COc1ccc2nc(N=Cc3ccc(OC)c(OC)c3)sc2c1 ZINC000252626296 564123359 /nfs/dbraw/zinc/12/33/59/564123359.db2.gz QZXDAHDJVPHXPJ-UHFFFAOYSA-N 0 0 328.393 4.073 50 30 EIEARN COc1ccc(C(=O)C(C#N)=NNc2ccc(Cl)cc2Cl)cc1 ZINC000252628956 564123504 /nfs/dbraw/zinc/12/35/04/564123504.db2.gz TVLKCCXFUNCFGK-UHFFFAOYSA-N 0 0 348.189 4.176 50 30 EIEARN S=C1N=NC(c2ccccc2)N1N=Cc1ccc2ccccc2c1 ZINC000252629668 564123539 /nfs/dbraw/zinc/12/35/39/564123539.db2.gz ULGJCZMSOWMYED-UHFFFAOYSA-N 0 0 330.416 4.269 50 30 EIEARN Cc1ccc(C)c(N=C2SCCCN2C(=O)c2ccc(C#N)cc2)c1 ZINC000253389174 564130394 /nfs/dbraw/zinc/13/03/94/564130394.db2.gz LGNLFLOVXVWZOV-UHFFFAOYSA-N 0 0 349.459 4.442 50 30 EIEARN N#CC1(CCCNc2ccn(-c3ccccc3Cl)n2)CCOCC1 ZINC000253420238 564131002 /nfs/dbraw/zinc/13/10/02/564131002.db2.gz YTHPKANSNVJYMB-UHFFFAOYSA-N 0 0 344.846 4.038 50 30 EIEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccncc3)sc2C1 ZINC000000433912 564133254 /nfs/dbraw/zinc/13/32/54/564133254.db2.gz KRENOCAMJWBHKD-CYBMUJFWSA-N 0 0 339.464 4.418 50 30 EIEARN N#Cc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)nsc32)cc1 ZINC000065362083 564134321 /nfs/dbraw/zinc/13/43/21/564134321.db2.gz IOHOTMPQLQFJPV-OAHLLOKOSA-N 0 0 349.390 4.295 50 30 EIEARN CCCN(CC)C(=O)c1ccc(-c2nc3c(cc2C#N)CCCC3)cc1 ZINC000534638338 564136046 /nfs/dbraw/zinc/13/60/46/564136046.db2.gz SXIWSMMLGZHYHO-UHFFFAOYSA-N 0 0 347.462 4.371 50 30 EIEARN CCc1noc(C)c1C(=O)Nc1sc2c(c1C#N)CC[C@H](CC)C2 ZINC000013327315 564136205 /nfs/dbraw/zinc/13/62/05/564136205.db2.gz IYSZCEUKKNFBGO-NSHDSACASA-N 0 0 343.452 4.246 50 30 EIEARN Cc1ccoc1C(=O)NCCCNC(=O)[C@H](c1ccncc1)C(C)C ZINC000328593219 564136761 /nfs/dbraw/zinc/13/67/61/564136761.db2.gz LQNWYWWBZXYNEM-INIZCTEOSA-N 0 0 343.427 4.074 50 30 EIEARN CC(C)c1noc([C@H](C)Nc2cccc(Oc3ccc(C#N)cn3)c2)n1 ZINC000078869919 564137280 /nfs/dbraw/zinc/13/72/80/564137280.db2.gz FSOKTIBPNJRMPR-ZDUSSCGKSA-N 0 0 349.394 4.425 50 30 EIEARN N#CCSc1cccc(C(=O)N(C2CC2)C2Cc3ccccc3C2)c1 ZINC000079468191 564138223 /nfs/dbraw/zinc/13/82/23/564138223.db2.gz VFLQRYUEPPTIFG-UHFFFAOYSA-N 0 0 348.471 4.074 50 30 EIEARN C[C@@H]1C[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]32)CC1=NN ZINC000254482743 564141744 /nfs/dbraw/zinc/14/17/44/564141744.db2.gz BQTJGNTXJNEPFQ-JVKOTALESA-N 0 0 332.532 4.341 50 30 EIEARN O=C(/C=C\c1nccn1CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000096297234 564146580 /nfs/dbraw/zinc/14/65/80/564146580.db2.gz FOEBXCNBFODWKT-WAYWQWQTSA-N 0 0 348.246 4.360 50 30 EIEARN O=C(/C=C\c1ccc(Cl)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000096311066 564146710 /nfs/dbraw/zinc/14/67/10/564146710.db2.gz HIXVIZXQVGZNLZ-KMKOMSMNSA-N 0 0 327.767 4.193 50 30 EIEARN C=CCOc1ccc(/C=N/c2ccc(Br)cc2)c(O)c1 ZINC000002490078 564149896 /nfs/dbraw/zinc/14/98/96/564149896.db2.gz QZEJDEQDJFZMTI-WOJGMQOQSA-N 0 0 332.197 4.470 50 30 EIEARN CN(Cc1ccccc1OC(F)(F)F)c1nc(Cl)c(C#N)s1 ZINC000225650343 564150098 /nfs/dbraw/zinc/15/00/98/564150098.db2.gz FVWCTECFQQPKBJ-UHFFFAOYSA-N 0 0 347.749 4.203 50 30 EIEARN COc1ccc(/C=C2\Oc3cc(C)c(Cl)c(C)c3C2=O)cc1O ZINC000299738260 564150497 /nfs/dbraw/zinc/15/04/97/564150497.db2.gz OQZFACLUBURZQP-NVNXTCNLSA-N 0 0 330.767 4.287 50 30 EIEARN CCc1c(C)sc(NC(=O)COc2ccc(Cl)cc2)c1C#N ZINC000002765550 564152507 /nfs/dbraw/zinc/15/25/07/564152507.db2.gz IGBZCJLYCHGQMR-UHFFFAOYSA-N 0 0 334.828 4.162 50 30 EIEARN CCOc1ccc(C/N=C/c2cc(Br)ccc2O)cc1 ZINC000057411898 564154001 /nfs/dbraw/zinc/15/40/01/564154001.db2.gz XEKQCWXBMKOLCX-WOJGMQOQSA-N 0 0 334.213 4.173 50 30 EIEARN CO/N=C/c1ccc(Oc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000003016049 564154387 /nfs/dbraw/zinc/15/43/87/564154387.db2.gz YRADGPKAEYERHG-DJKKODMXSA-N 0 0 340.257 4.386 50 30 EIEARN COc1ccccc1C[C@H](C#N)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000057523290 564154718 /nfs/dbraw/zinc/15/47/18/564154718.db2.gz BXQIPNRHNFQLOW-CYBMUJFWSA-N 0 0 348.324 4.035 50 30 EIEARN Cc1nc(C)c([C@H](C)OC(=O)CSCc2ccc(C#N)cc2)s1 ZINC000058015604 564157142 /nfs/dbraw/zinc/15/71/42/564157142.db2.gz QONKZSJXTSSFEA-LBPRGKRZSA-N 0 0 346.477 4.169 50 30 EIEARN CN(Cc1cccc(Br)c1)Cc1cc(C#N)ccc1F ZINC000030972188 564158285 /nfs/dbraw/zinc/15/82/85/564158285.db2.gz NBARURDUAYKHSP-UHFFFAOYSA-N 0 0 333.204 4.092 50 30 EIEARN Cc1ccc(-c2ccc(C#N)s2)cc1NCc1nc(C2CC2)no1 ZINC000058365302 564158866 /nfs/dbraw/zinc/15/88/66/564158866.db2.gz XTBDAXSAHXHMGI-UHFFFAOYSA-N 0 0 336.420 4.468 50 30 EIEARN N#Cc1c2c(c(C3CCCCC3)nc1NC[C@H]1CCCO1)CCC2 ZINC000031807703 564159881 /nfs/dbraw/zinc/15/98/81/564159881.db2.gz QGINNPQBNFKDIK-OAHLLOKOSA-N 0 0 325.456 4.081 50 30 EIEARN N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(F)cc1Br ZINC000007983633 564161778 /nfs/dbraw/zinc/16/17/78/564161778.db2.gz BQCNOPHFWFBODK-UHFFFAOYSA-N 0 0 337.104 4.160 50 30 EIEARN N#Cc1ccccc1CSCCNC(=O)Nc1ccc(Cl)cc1 ZINC000008133582 564163080 /nfs/dbraw/zinc/16/30/80/564163080.db2.gz YCAVKPBJSOHVRB-UHFFFAOYSA-N 0 0 345.855 4.267 50 30 EIEARN C=C(Cl)CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 ZINC000008529006 564165574 /nfs/dbraw/zinc/16/55/74/564165574.db2.gz RUWZLQWVXFSQEM-UHFFFAOYSA-N 0 0 346.818 4.313 50 30 EIEARN O=C(C(=NN=Cc1cccc(O)c1)c1ccccc1)c1ccccc1 ZINC000245267037 564168917 /nfs/dbraw/zinc/16/89/17/564168917.db2.gz LHEMVQGAGRJZBY-UHFFFAOYSA-N 0 0 328.371 4.098 50 30 EIEARN COc1ccc([C@@H]2C[C@H]2C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1 ZINC000069619052 564170909 /nfs/dbraw/zinc/17/09/09/564170909.db2.gz XJLSZBAHMIFTGM-ARFHVFGLSA-N 0 0 348.427 4.285 50 30 EIEARN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)Cc1ccco1 ZINC000069622807 564170994 /nfs/dbraw/zinc/17/09/94/564170994.db2.gz FIMIPDNDBPNCEE-ZIAGYGMSSA-N 0 0 343.452 4.284 50 30 EIEARN N#CC1CCN(C(=O)Nc2ccccc2Oc2cccc(F)c2)CC1 ZINC000069633180 564171100 /nfs/dbraw/zinc/17/11/00/564171100.db2.gz GYVDZHCUXBXOSH-UHFFFAOYSA-N 0 0 339.370 4.385 50 30 EIEARN Cc1nc([C@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cs1 ZINC000069657310 564171268 /nfs/dbraw/zinc/17/12/68/564171268.db2.gz MPTVLLDFWKQVOT-ZDUSSCGKSA-N 0 0 347.443 4.481 50 30 EIEARN CS[C@H](C)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000071799775 564175487 /nfs/dbraw/zinc/17/54/87/564175487.db2.gz REGICQMLLRQRBO-BDAKNGLRSA-N 0 0 338.404 4.016 50 30 EIEARN O=C(c1cccc(Cl)c1)N1CCCS/C1=N/Cc1ccccc1 ZINC000105037457 1025090443 /nfs/dbraw/zinc/09/04/43/1025090443.db2.gz XNVKYQWTIYMRFD-CZIZESTLSA-N 0 0 344.867 4.475 50 30 EIEARN Cc1ccc(C2=NO[C@@H](CNC(=O)c3c(F)cccc3Cl)C2)cc1 ZINC000328586303 1026286724 /nfs/dbraw/zinc/28/67/24/1026286724.db2.gz WBRLYBBSXZJSGY-CYBMUJFWSA-N 0 0 346.789 4.285 50 30 EIEARN CNC(=O)c1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)o2)cc1 ZINC000079071342 1026595599 /nfs/dbraw/zinc/59/55/99/1026595599.db2.gz UZPFSRNOLWPADF-FMIVXFBMSA-N 0 0 331.371 4.202 50 30 EIEARN COc1cccc(C2(NC(=O)N[C@@H](C)c3cccc(C#N)c3)CCC2)c1 ZINC000596437359 1029246090 /nfs/dbraw/zinc/24/60/90/1029246090.db2.gz WTTDYPNXTLTGPQ-HNNXBMFYSA-N 0 0 349.434 4.006 50 30 EIEARN COc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)cc1Br ZINC000013140914 1031426504 /nfs/dbraw/zinc/42/65/04/1031426504.db2.gz PNKGQOZGXSYCBG-XBXARRHUSA-N 0 0 342.192 4.225 50 30 EIEARN COc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1 ZINC000013141570 1031468637 /nfs/dbraw/zinc/46/86/37/1031468637.db2.gz BDJPOWUZPSYVNU-FPYGCLRLSA-N 0 0 347.208 4.362 50 30 EIEARN COc1ccccc1N=C1SCCCN1C(=O)c1cccc(C)c1 ZINC000254579300 1034428673 /nfs/dbraw/zinc/42/86/73/1034428673.db2.gz QLEBCYJOUJHASS-UHFFFAOYSA-N 0 0 340.448 4.270 50 30 EIEARN CC(=NN=c1[nH]c2ccccc2[nH]1)c1ccccc1Br ZINC000254696322 1035888657 /nfs/dbraw/zinc/88/86/57/1035888657.db2.gz MUDUJKZPHHCXPY-UHFFFAOYSA-N 0 0 329.201 4.162 50 30 EIEARN Clc1nc2sccn2c1C=NNc1nc2ccccc2s1 ZINC000254406956 1037883308 /nfs/dbraw/zinc/88/33/08/1037883308.db2.gz OGSPAUAIBBQAAQ-UHFFFAOYSA-N 0 0 333.829 4.105 50 30 EIEARN N#Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000008705908 1038828934 /nfs/dbraw/zinc/82/89/34/1038828934.db2.gz ZRHGGKGWTVJHSY-BJMVGYQFSA-N 0 0 349.390 4.473 50 30 EIEARN CCc1ccc(/C=C2/CCc3cc(OC)ccc3C2=O)cc1[N+](=O)[O-] ZINC000096792325 1039372243 /nfs/dbraw/zinc/37/22/43/1039372243.db2.gz OTAFDZASSICULQ-YBEGLDIGSA-N 0 0 337.375 4.378 50 30 EIEARN O=C1Nc2ccccc2/C1=N\N=C1CCCC/C1=C\c1ccccc1 ZINC000252511441 1041551425 /nfs/dbraw/zinc/55/14/25/1041551425.db2.gz GVHRZKKBSZESSP-ZQRIGKGGSA-N 0 0 329.403 4.441 50 30 EIEARN N#CCCn1cc(/C=C2/Cc3ccccc3C2=O)c(-c2ccccc2)n1 ZINC000096766628 1041612993 /nfs/dbraw/zinc/61/29/93/1041612993.db2.gz DNFYYUNKFNASHB-JXAWBTAJSA-N 0 0 339.398 4.286 50 30 EIEARN Cc1nc(-c2ccc([C@@H](C)NC(=O)C3(C#N)CCCC3)cc2)cs1 ZINC000030229934 1042495958 /nfs/dbraw/zinc/49/59/58/1042495958.db2.gz RKIGPYFSOLTCPZ-CYBMUJFWSA-N 0 0 339.464 4.380 50 30 EIEARN CN1CCN(N=Cc2c3ccccc3c(Cl)c3ccccc23)CC1 ZINC000606347359 1043067760 /nfs/dbraw/zinc/06/77/60/1043067760.db2.gz FORFCNAFUWTYPN-UHFFFAOYSA-N 0 0 337.854 4.228 50 30 EIEARN COc1ccc2ccccc2c1C=NN=c1sc2ccccc2n1C ZINC000606347220 1043068063 /nfs/dbraw/zinc/06/80/63/1043068063.db2.gz UWRVOMQCJOLVES-UHFFFAOYSA-N 0 0 347.443 4.336 50 30 EIEARN N#Cc1cccc(C2(NC(=O)c3coc(C4CCCCC4)n3)CC2)c1 ZINC000614419168 1043146659 /nfs/dbraw/zinc/14/66/59/1043146659.db2.gz YFOURKSVZVISQC-UHFFFAOYSA-N 0 0 335.407 4.013 50 30 EIEARN COc1ccc(Br)cc1/C=C\C(=O)c1ccc(F)cc1 ZINC000033410628 1047166433 /nfs/dbraw/zinc/16/64/33/1047166433.db2.gz SRGJILFYOXNCGV-YWEYNIOJSA-N 0 0 335.172 4.493 50 30 EIEARN C#CCCC1(CCC(=O)NC2CC(c3cccc(Cl)c3)C2)N=N1 ZINC000952880161 1049678803 /nfs/dbraw/zinc/67/88/03/1049678803.db2.gz DDCGJPBYIMNXKM-UHFFFAOYSA-N 0 0 329.831 4.058 50 30 EIEARN C#CCCC1(CCC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)N=N1 ZINC000952883187 1049681351 /nfs/dbraw/zinc/68/13/51/1049681351.db2.gz XNHLSOFKKDUPSX-UHFFFAOYSA-N 0 0 349.438 4.057 50 30 EIEARN CN1N=C(c2cc3ccccc3o2)CS/C1=N\Cc1ccccc1 ZINC000102238662 1054610084 /nfs/dbraw/zinc/61/00/84/1054610084.db2.gz BTHLXXSSDUQJGU-VXPUYCOJSA-N 0 0 335.432 4.372 50 30 EIEARN N#Cc1ccccc1CNc1ccc(Cl)cc1C(=O)N1CCCC1 ZINC000055866752 214345178 /nfs/dbraw/zinc/34/51/78/214345178.db2.gz KZJKNMRBEKOGTJ-UHFFFAOYSA-N 0 0 339.826 4.060 50 30 EIEARN N#Cc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 ZINC000004680674 210246070 /nfs/dbraw/zinc/24/60/70/210246070.db2.gz YCWJAINHIZNIOW-MHWRWJLKSA-N 0 0 326.421 4.175 50 30 EIEARN c1[nH]c2ccccc2c1CN=Nc1ncnc2sc3c(c21)CCCC3 ZINC000004679516 210244269 /nfs/dbraw/zinc/24/42/69/210244269.db2.gz AKDKHZVFMAWBFX-AUEPDCJTSA-N 0 0 347.447 4.497 50 30 in-vitro EIEARN Cc1nc(-c2ccccc2)nc(NN=Cc2cccc([N+](=O)[O-])c2)c1C ZINC000004595684 210229704 /nfs/dbraw/zinc/22/97/04/210229704.db2.gz OYSLUUVSDGJICB-UDWIEESQSA-N 0 0 347.378 4.115 50 30 EIEARN CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(C#N)cc3)C(=O)O2)cc1 ZINC000004568046 210222877 /nfs/dbraw/zinc/22/28/77/210222877.db2.gz MNVRQSUMBJWXHJ-PDGQHHTCSA-N 0 0 330.387 4.200 50 30 EIEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(Cl)s1 ZINC000004544193 210218966 /nfs/dbraw/zinc/21/89/66/210218966.db2.gz KPPNOLPVPWSNKZ-YRNVUSSQSA-N 0 0 338.816 4.432 50 30 EIEARN Cc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000004520717 210213880 /nfs/dbraw/zinc/21/38/80/210213880.db2.gz AODLUYOBLGFFGE-GJZGRUSLSA-N 0 0 337.444 4.061 50 30 EIEARN O=C(/C=C/c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000004524865 210213733 /nfs/dbraw/zinc/21/37/33/210213733.db2.gz JTGBZIJCASWRRL-XVNBXDOJSA-N 0 0 345.192 4.116 50 30 EIEARN N#Cc1ccc(N=NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004519772 210212318 /nfs/dbraw/zinc/21/23/18/210212318.db2.gz GGLIKKWWZUBFMC-UHFFFAOYSA-N 0 0 342.358 4.331 50 30 EIEARN CCOC(=O)c1ccc(NC(C)=C2Sc3ccccc3C2=O)cc1 ZINC000100216300 219094150 /nfs/dbraw/zinc/09/41/50/219094150.db2.gz ONNXNUWRMYTNLV-LDADJPATSA-N 0 0 339.416 4.495 50 30 EIEARN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)[C@@H](C#N)c1ccccn1 ZINC000049458302 214008851 /nfs/dbraw/zinc/00/88/51/214008851.db2.gz MZOULNMRDHBRFX-MNOVXSKESA-N 0 0 335.190 4.032 50 30 EIEARN Cc1cccc(-n2nnnc2C2(/N=C/c3ccccc3)CCCCC2)c1 ZINC000004473673 210196735 /nfs/dbraw/zinc/19/67/35/210196735.db2.gz MWGBYSITUNSALU-CJLVFECKSA-N 0 0 345.450 4.249 50 30 EIEARN CN(C)c1ccc(CC=CN=Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000004455823 210193331 /nfs/dbraw/zinc/19/33/31/210193331.db2.gz TWBQTPQOMWFALE-DMRDCZSUSA-N 0 0 334.345 4.278 50 30 EIEARN FC(F)(F)c1ccnc(N=NCc2ccc(Cl)cc2Cl)n1 ZINC000004324204 210171465 /nfs/dbraw/zinc/17/14/65/210171465.db2.gz UELOHNJCPZMIHA-KPSZGOFPSA-N 0 0 335.116 4.248 50 30 EIEARN Cc1cc(SCC(=O)C(C)(C)C)n2c3ccccc3nc2c1C#N ZINC000004269856 210156486 /nfs/dbraw/zinc/15/64/86/210156486.db2.gz CITLMYQOIHJBBG-UHFFFAOYSA-N 0 0 337.448 4.375 50 30 EIEARN C=CCn1c(SCc2cn3ccccc3n2)nnc1-c1ccccc1 ZINC000004249564 210152213 /nfs/dbraw/zinc/15/22/13/210152213.db2.gz DJUJZLFZKNWRDJ-UHFFFAOYSA-N 0 0 347.447 4.071 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccccc1 ZINC000004119636 210124652 /nfs/dbraw/zinc/12/46/52/210124652.db2.gz MFZHTTMGYRNZIK-QAPCUYQASA-N 0 0 326.417 4.067 50 30 EIEARN Cn1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)c2ccccc21 ZINC000004117245 210123773 /nfs/dbraw/zinc/12/37/73/210123773.db2.gz LUYZIUNYNIGVNL-GZTJUZNOSA-N 0 0 333.416 4.070 50 30 EIEARN N#Cc1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCC2 ZINC000004071768 210112766 /nfs/dbraw/zinc/11/27/66/210112766.db2.gz NCOCAPPASDHKCS-UHFFFAOYSA-N 0 0 336.338 4.380 50 30 EIEARN N#Cc1ccc(-c2csc(NC(=O)CCc3ccccc3)n2)cc1 ZINC000004078604 210115275 /nfs/dbraw/zinc/11/52/75/210115275.db2.gz AUFPVJHWFBBZOO-UHFFFAOYSA-N 0 0 333.416 4.253 50 30 EIEARN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccccc1C ZINC000004047989 210107762 /nfs/dbraw/zinc/10/77/62/210107762.db2.gz YEFJYDGJGVDVDJ-SRZZPIQSSA-N 0 0 349.394 4.152 50 30 EIEARN Cc1ccsc1CN=Nc1nc(C(F)(F)F)nc2ccccc21 ZINC000004041939 210105797 /nfs/dbraw/zinc/10/57/97/210105797.db2.gz YISJPEIKFOANIE-UFWORHAWSA-N 0 0 336.342 4.465 50 30 EIEARN O=C1CCCC2=C1[C@H](c1cccnc1)Nc1ccc3ncccc3c12 ZINC000004006106 210098945 /nfs/dbraw/zinc/09/89/45/210098945.db2.gz DSKUKNRWSJYKGJ-NRFANRHFSA-N 0 0 327.387 4.303 50 30 EIEARN CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000066158529 215018426 /nfs/dbraw/zinc/01/84/26/215018426.db2.gz NNUSUVXWOVTKPS-UHFFFAOYSA-N 0 0 332.407 4.067 50 30 EIEARN COc1cccc(C#N)c1OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000043191101 213568427 /nfs/dbraw/zinc/56/84/27/213568427.db2.gz XTORCMMYYNVGII-UHFFFAOYSA-N 0 0 343.382 4.496 50 30 EIEARN N#Cc1ccc(CSc2nnc(NC3CCCCC3)s2)cc1 ZINC000003260896 209992692 /nfs/dbraw/zinc/99/26/92/209992692.db2.gz DOOPMZUBYJTOIX-UHFFFAOYSA-N 0 0 330.482 4.447 50 30 EIEARN COc1cc(Oc2ncccc2C#N)cc(Cl)c1CN1CCCC1 ZINC000067712609 215191130 /nfs/dbraw/zinc/19/11/30/215191130.db2.gz UXSVYQGRZRFNFB-UHFFFAOYSA-N 0 0 343.814 4.003 50 30 EIEARN Cc1nnc(SCc2ccc(C#N)cc2)n1CCc1cccs1 ZINC000067758357 215206199 /nfs/dbraw/zinc/20/61/99/215206199.db2.gz LPADQNFLSCYIGT-UHFFFAOYSA-N 0 0 340.477 4.055 50 30 EIEARN Cc1ccc(N2C(=O)C(=O)C(c3ccccc3)=C2c2ccccc2)cc1 ZINC000002856572 209928475 /nfs/dbraw/zinc/92/84/75/209928475.db2.gz WHFQZWOYVGRKHS-UHFFFAOYSA-N 0 0 339.394 4.479 50 30 EIEARN C=CCc1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000067954897 215259179 /nfs/dbraw/zinc/25/91/79/215259179.db2.gz DLOBUCZNRFXKMP-LJQANCHMSA-N 0 0 341.838 4.282 50 30 EIEARN N#Cc1c(NC(=O)Cc2c(F)cccc2Cl)sc2c1CCCC2 ZINC000002644529 209881974 /nfs/dbraw/zinc/88/19/74/209881974.db2.gz HJAQEXHLKZYOOD-UHFFFAOYSA-N 0 0 348.830 4.472 50 30 EIEARN N#CCc1ncc(CSc2nc3ccc([N+](=O)[O-])cc3s2)s1 ZINC000002314242 209840251 /nfs/dbraw/zinc/84/02/51/209840251.db2.gz WXQSIYKLIYIIND-UHFFFAOYSA-N 0 0 348.434 4.019 50 30 EIEARN CN(Cc1ccccn1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000069529162 215461542 /nfs/dbraw/zinc/46/15/42/215461542.db2.gz MDMJYGPCMZQLKO-UHFFFAOYSA-N 0 0 343.386 4.018 50 30 EIEARN N#Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccn3)cc2)cc1 ZINC000040139520 213271191 /nfs/dbraw/zinc/27/11/91/213271191.db2.gz NBSDQCBSZSENEH-MDWZMJQESA-N 0 0 340.382 4.428 50 30 EIEARN N#Cc1c2c(sc1NC(=O)c1csc3c1CCCC3)CCC2 ZINC000001053886 209704280 /nfs/dbraw/zinc/70/42/80/209704280.db2.gz XOBUVCOQMNBDEF-UHFFFAOYSA-N 0 0 328.462 4.301 50 30 EIEARN Cc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc4ccccc4n32)cc1 ZINC000000544887 209658083 /nfs/dbraw/zinc/65/80/83/209658083.db2.gz ZFXNTLKCXQKRCX-FQEVSTJZSA-N 0 0 329.403 4.367 50 30 EIEARN COc1ccc(-c2nc(C#N)c(N[C@H](C)c3ccccc3)o2)cc1OC ZINC000000544925 209657901 /nfs/dbraw/zinc/65/79/01/209657901.db2.gz JDTDMOCFMJYSRB-CYBMUJFWSA-N 0 0 349.390 4.404 50 30 EIEARN N#Cc1c(N)c(C(=O)c2ccccc2)sc1Nc1ccc(F)cc1 ZINC000000481889 209628380 /nfs/dbraw/zinc/62/83/80/209628380.db2.gz QAESRWBSGKYIHC-UHFFFAOYSA-N 0 0 337.379 4.316 50 30 EIEARN C=CCn1c(N)nnc1SCc1c(C)cc(C(C)(C)C)cc1C ZINC000036394204 213095490 /nfs/dbraw/zinc/09/54/90/213095490.db2.gz SUYUYTPFRPVVGY-UHFFFAOYSA-N 0 0 330.501 4.253 50 30 EIEARN N#Cc1ccc([C@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)cc1 ZINC000036359931 213090044 /nfs/dbraw/zinc/09/00/44/213090044.db2.gz LJWJHMYYDQONBJ-CQSZACIVSA-N 0 0 338.436 4.129 50 30 EIEARN COc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1C ZINC000036235812 213077893 /nfs/dbraw/zinc/07/78/93/213077893.db2.gz WHKLUUAQRQBCHX-MHWRWJLKSA-N 0 0 342.395 4.034 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccccc1Cl ZINC000000428101 209593889 /nfs/dbraw/zinc/59/38/89/209593889.db2.gz KANHWBFBHPFEDX-RDTXWAMCSA-N 0 0 344.794 4.252 50 30 EIEARN CC[C@]1(c2ccc(-c3ccccc3)cc2)O[C@H](OC(C)=O)C=CC1=O ZINC000071769379 215822847 /nfs/dbraw/zinc/82/28/47/215822847.db2.gz GTAHYLWVBMXNLQ-LEWJYISDSA-N 0 0 336.387 4.004 50 30 EIEARN C=CCOc1ccc(C=Cc2nc(=O)c3c(C)c(C)sc3[nH]2)cc1 ZINC000033528139 212953266 /nfs/dbraw/zinc/95/32/66/212953266.db2.gz QBAUSUMBFXTIEL-YFHOEESVSA-N 0 0 338.432 4.337 50 30 EIEARN Cc1c(Cl)cccc1NN=C(C#N)C(=O)c1ccc(Cl)cc1 ZINC000000353299 209547824 /nfs/dbraw/zinc/54/78/24/209547824.db2.gz GTQHXXSIALXMAH-QNGOZBTKSA-N 0 0 332.190 4.476 50 30 EIEARN COc1ccc(C(=O)C=CNc2cc(C)ccc2Cl)cc1OC ZINC000000352480 209547892 /nfs/dbraw/zinc/54/78/92/209547892.db2.gz GWXXBTLPZWSTSW-CMDGGOBGSA-N 0 0 331.799 4.474 50 30 EIEARN C=CCCC(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000072283719 216112825 /nfs/dbraw/zinc/11/28/25/216112825.db2.gz KUNJTLJBVUBAPG-MRXNPFEDSA-N 0 0 325.456 4.289 50 30 EIEARN CC(C)c1csc([C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)n1 ZINC000072297225 216134630 /nfs/dbraw/zinc/13/46/30/216134630.db2.gz YYTAAEXXIONIJC-MRXNPFEDSA-N 0 0 339.464 4.158 50 30 EIEARN CCN1C(=O)/C(=C\c2cccc(O)c2)S/C1=N/c1ccc(C)cc1 ZINC000037492465 213148790 /nfs/dbraw/zinc/14/87/90/213148790.db2.gz FIJHOHAKLJKISL-KFBYJWCXSA-N 0 0 338.432 4.325 50 30 EIEARN N#Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000000190211 209474361 /nfs/dbraw/zinc/47/43/61/209474361.db2.gz YAERQWKCZQNZLI-UHFFFAOYSA-N 0 0 338.370 4.354 50 30 EIEARN COc1cccc(-c2c3c(nc(OC)c2C#N)-c2ccccc2C3)c1 ZINC000000159790 209457422 /nfs/dbraw/zinc/45/74/22/209457422.db2.gz NENJTVXNVHTUBQ-UHFFFAOYSA-N 0 0 328.371 4.209 50 30 EIEARN O=c1c2cc(-c3ccccc3)sc2ncn1/N=C/c1ccccc1 ZINC000000160342 209459374 /nfs/dbraw/zinc/45/93/74/209459374.db2.gz VVRQQQUQNHDEIJ-CIAFOILYSA-N 0 0 331.400 4.007 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccccc1 ZINC000000066750 209398559 /nfs/dbraw/zinc/39/85/59/209398559.db2.gz UOGLSKXPKAPSBV-PZJWPPBQSA-N 0 0 334.415 4.314 50 30 EIEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 ZINC000000064726 209397458 /nfs/dbraw/zinc/39/74/58/209397458.db2.gz AKXUHYFOQUFNKB-LLVKDONJSA-N 0 0 326.421 4.005 50 30 EIEARN COc1ccc2ccccc2c1/C=N/NC(=S)Nc1cccc(C)c1 ZINC000000065326 209397230 /nfs/dbraw/zinc/39/72/30/209397230.db2.gz XIVICFIHKFOPQB-FYJGNVAPSA-N 0 0 349.459 4.477 50 30 EIEARN N#Cc1nc(Cc2cccc3ccccc32)oc1NCc1cccnc1 ZINC000027742777 212575228 /nfs/dbraw/zinc/57/52/28/212575228.db2.gz ACUHKEMDOHBIQK-UHFFFAOYSA-N 0 0 340.386 4.297 50 30 EIEARN COc1ccc(NC(=S)N/N=C(C)/C=C/c2ccccc2)cc1 ZINC000025758222 212496285 /nfs/dbraw/zinc/49/62/85/212496285.db2.gz URTHRIQCTIGAJI-JWEYOLHDSA-N 0 0 325.437 4.071 50 30 EIEARN COc1ccc(C(F)(F)F)cc1NC(=O)ON=C(Cl)C(C)C ZINC000073332572 216377751 /nfs/dbraw/zinc/37/77/51/216377751.db2.gz ZYQLQBDROPYYOL-YBFXNURJSA-N 0 0 338.713 4.471 50 30 EIEARN Cc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)c(C#N)c(N)n2)cc1 ZINC000022612067 212311139 /nfs/dbraw/zinc/31/11/39/212311139.db2.gz YRJNARUAOPQZQN-UHFFFAOYSA-N 0 0 330.347 4.086 50 30 EIEARN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC[C@H](C(=O)OC)C1 ZINC000194012678 240399682 /nfs/dbraw/zinc/39/96/82/240399682.db2.gz CKBPHLXIZNQMCS-JKSUJKDBSA-N 0 0 344.455 4.002 50 30 EIEARN C=CCc1cc(C(=O)N(C)Cc2cccc3ncccc23)ccc1OC ZINC000217762329 241272764 /nfs/dbraw/zinc/27/27/64/241272764.db2.gz PYHMIOPYSOIXLO-UHFFFAOYSA-N 0 0 346.430 4.244 50 30 EIEARN N#Cc1c(N)c2cc(Oc3ccccc3)ccc2nc1C(F)(F)F ZINC000019594000 212050531 /nfs/dbraw/zinc/05/05/31/212050531.db2.gz FJHZTUYVZNYIEH-UHFFFAOYSA-N 0 0 329.281 4.500 50 30 EIEARN Cc1sc(NC(=O)[C@@H]2CCCO2)c(C#N)c1-c1ccc(C)c(C)c1 ZINC000013328529 211547317 /nfs/dbraw/zinc/54/73/17/211547317.db2.gz JZNPTFYIZGKUGA-INIZCTEOSA-N 0 0 340.448 4.330 50 30 EIEARN N#Cc1c(N)c(C#N)c(-c2ccc3c(c2)OCO3)cc1-c1ccccc1 ZINC000012376941 211360305 /nfs/dbraw/zinc/36/03/05/211360305.db2.gz ANALZYCJTRLSKH-UHFFFAOYSA-N 0 0 339.354 4.075 50 30 EIEARN Cc1sc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Br ZINC000012372398 211359403 /nfs/dbraw/zinc/35/94/03/211359403.db2.gz VOJNSMMJLMDAFT-GHXNOFRVSA-N 0 0 348.221 4.164 50 30 EIEARN CCOc1ccc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)cc1 ZINC000012411675 211371938 /nfs/dbraw/zinc/37/19/38/211371938.db2.gz ASLIHONLRFCLIV-WJDWOHSUSA-N 0 0 327.767 4.083 50 30 EIEARN Cc1nn(Cc2ccccc2)c(C)c1/C=C1\Cc2c(cccc2O)C1=O ZINC000011336153 211212197 /nfs/dbraw/zinc/21/21/97/211212197.db2.gz LPWYWQAVNVPMKW-GZTJUZNOSA-N 0 0 344.414 4.076 50 30 EIEARN COc1ccc([C@@H]2CCCN2Cc2cc(C#N)ccc2F)c(OC)c1 ZINC000011439896 211216270 /nfs/dbraw/zinc/21/62/70/211216270.db2.gz CHNXBSWYRIXNKI-IBGZPJMESA-N 0 0 340.398 4.052 50 30 EIEARN N#Cc1ccc(OCCOC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000011029770 211201340 /nfs/dbraw/zinc/20/13/40/211201340.db2.gz HYMCHUYLSGGTAS-UHFFFAOYSA-N 0 0 336.174 4.101 50 30 EIEARN C=CCn1c(C)cc(-c2csc(NC(=O)c3cccnc3)n2)c1C ZINC000010255389 211157005 /nfs/dbraw/zinc/15/70/05/211157005.db2.gz TZIGZYMMBHPAKM-UHFFFAOYSA-N 0 0 338.436 4.062 50 30 EIEARN CCCn1cc(C(=O)CSc2ncccc2C#N)c2ccccc21 ZINC000010007795 211139036 /nfs/dbraw/zinc/13/90/36/211139036.db2.gz OPSXJANGXINSPU-UHFFFAOYSA-N 0 0 335.432 4.293 50 30 EIEARN COc1ccccc1-c1cc(-c2ccccc2)c(C#N)c(N)c1C#N ZINC000009519998 211097438 /nfs/dbraw/zinc/09/74/38/211097438.db2.gz QBCXETKUYLYEIQ-UHFFFAOYSA-N 0 0 325.371 4.355 50 30 EIEARN C=CCOc1cccc(-c2nn3c(nnc3-c3cccc(C)c3)s2)c1 ZINC000009227246 211054459 /nfs/dbraw/zinc/05/44/59/211054459.db2.gz MDBBHSCZUBEZCB-UHFFFAOYSA-N 0 0 348.431 4.393 50 30 EIEARN N#CCc1nc(-c2cccs2)c(NC(=O)c2ccccc2)s1 ZINC000008917155 211019064 /nfs/dbraw/zinc/01/90/64/211019064.db2.gz SRURTLSIXPXLNC-UHFFFAOYSA-N 0 0 325.418 4.190 50 30 EIEARN Cc1ccccc1OCc1ccc(-c2nc(C#N)c(NC3CC3)o2)o1 ZINC000008844550 211010819 /nfs/dbraw/zinc/01/08/19/211010819.db2.gz QNUSDSAYNKVSRB-UHFFFAOYSA-N 0 0 335.363 4.268 50 30 EIEARN COc1ccc(NC(=O)c2ccccc2SCC#N)c2cccnc12 ZINC000095396454 218327948 /nfs/dbraw/zinc/32/79/48/218327948.db2.gz PTXIXZRCNDQZCZ-UHFFFAOYSA-N 0 0 349.415 4.111 50 30 EIEARN COc1ccc(C(F)(F)F)cc1NC(=O)ON=C(Cl)C(C)C ZINC000008445348 210953879 /nfs/dbraw/zinc/95/38/79/210953879.db2.gz ZYQLQBDROPYYOL-ODLFYWEKSA-N 0 0 338.713 4.471 50 30 EIEARN N#CCCN(C(=O)c1cc(Cl)ccn1)C12CC3CC(CC(C3)C1)C2 ZINC000095941680 218455174 /nfs/dbraw/zinc/45/51/74/218455174.db2.gz UXZXPSIGGJTQBP-UHFFFAOYSA-N 0 0 343.858 4.060 50 30 EIEARN Cc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000006819547 210722228 /nfs/dbraw/zinc/72/22/28/210722228.db2.gz VCDKESGYAWSRIZ-HIFRSBDPSA-N 0 0 337.444 4.061 50 30 EIEARN Cc1ccc(C=NN2C(=S)N=NC2c2cccc(Cl)c2)s1 ZINC000005969500 210570712 /nfs/dbraw/zinc/57/07/12/210570712.db2.gz NMFLBRISJSUGJU-LZYBPNLTSA-N 0 0 334.857 4.139 50 30 EIEARN CCCCc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc1 ZINC000005927376 210561255 /nfs/dbraw/zinc/56/12/55/210561255.db2.gz VDUWAEMFGOMUTM-UHFFFAOYSA-N 0 0 341.418 4.370 50 30 EIEARN CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(C(C)C)cc2)NC(=O)N1 ZINC000005788546 210536419 /nfs/dbraw/zinc/53/64/19/210536419.db2.gz HLNWZTNSWCBOAF-IBGZPJMESA-N 0 0 334.419 4.321 50 30 EIEARN Cc1cccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)c(C)c2C#N)c1 ZINC000005089269 210387251 /nfs/dbraw/zinc/38/72/51/210387251.db2.gz YXBWPHHVNLJCIH-OAHLLOKOSA-N 0 0 339.464 4.306 50 30 EIEARN COCc1cc(C)nc(N=NCc2ccc(Cl)cc2Cl)c1C#N ZINC000005074007 210384744 /nfs/dbraw/zinc/38/47/44/210384744.db2.gz JJBZBGJJIBQILG-DNTJNYDQSA-N 0 0 349.221 4.161 50 30 EIEARN C#CCOc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1OCC ZINC000005128835 210396853 /nfs/dbraw/zinc/39/68/53/210396853.db2.gz BFGQSNAADPQQAU-WUXMJOGZSA-N 0 0 336.387 4.002 50 30 EIEARN CCOC(=O)[C@H](C#N)[C@H](c1ccc(C)cc1)[C@@H]1CCO[C@](C)(CC)C1 ZINC000005068061 210381655 /nfs/dbraw/zinc/38/16/55/210381655.db2.gz AAVPTEIKESEQEC-ANTGDGSKSA-N 0 0 343.467 4.377 50 30 EIEARN N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ccccn1 ZINC000004865972 210306392 /nfs/dbraw/zinc/30/63/92/210306392.db2.gz AXBAULKVPNQIJE-UHFFFAOYSA-N 0 0 345.427 4.034 50 30 EIEARN Cn1c2ccccc2nc1[C@H](C#N)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000004864031 210305202 /nfs/dbraw/zinc/30/52/02/210305202.db2.gz TXCZADVKOYESIE-GOWZHPGHSA-N 0 0 347.462 4.356 50 30 EIEARN C=CCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000004842258 210296385 /nfs/dbraw/zinc/29/63/85/210296385.db2.gz KVCVQQFSIGZYAB-UHFFFAOYSA-N 0 0 347.798 4.174 50 30 EIEARN COc1ccc(C(=O)/C=C/c2cc(Br)ccc2OC)cc1 ZINC000004829473 210291024 /nfs/dbraw/zinc/29/10/24/210291024.db2.gz FEYWOYZUKWZTIC-WEVVVXLNSA-N 0 0 347.208 4.362 50 30 EIEARN Cc1ccc(S(=O)(=O)O[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004831726 210290167 /nfs/dbraw/zinc/29/01/67/210290167.db2.gz XHCXOQXNIKQJFG-ISOUWHGUSA-N 0 0 334.481 4.305 50 30 EIEARN CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccccc1Cl ZINC000004808065 210281637 /nfs/dbraw/zinc/28/16/37/210281637.db2.gz QXVONSWVCMEPCH-UHFFFAOYSA-N 0 0 336.174 4.483 50 30 EIEARN CSc1ccc(/C=C\C(=O)c2cccc(N3CCOCC3)c2)cc1 ZINC000096931869 257839185 /nfs/dbraw/zinc/83/91/85/257839185.db2.gz QJHXNQOHFHFGIR-YFHOEESVSA-N 0 0 339.460 4.141 50 30 EIEARN N#Cc1ccccc1-c1cccc(C(=O)NCCCC[C@H]2CCCO2)c1 ZINC000426372423 257970845 /nfs/dbraw/zinc/97/08/45/257970845.db2.gz XEJKLKNNVSKIPN-FQEVSTJZSA-N 0 0 348.446 4.304 50 30 EIEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CC(C)(C)C ZINC000006697801 258044697 /nfs/dbraw/zinc/04/46/97/258044697.db2.gz ZYTPCWWYWXFFGN-UHFFFAOYSA-N 0 0 347.846 4.341 50 30 EIEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1cccc(C)c1 ZINC000006703050 258044755 /nfs/dbraw/zinc/04/47/55/258044755.db2.gz OFCVTLNOAHQJDV-UHFFFAOYSA-N 0 0 348.406 4.265 50 30 EIEARN C=C(Cl)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2CC ZINC000012987920 258017366 /nfs/dbraw/zinc/01/73/66/258017366.db2.gz RCDOSYKLCACUIC-UHFFFAOYSA-N 0 0 341.798 4.028 50 30 EIEARN C=CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)c1 ZINC000008499659 258018071 /nfs/dbraw/zinc/01/80/71/258018071.db2.gz ANVYPHNHSRLCMW-INIZCTEOSA-N 0 0 325.408 4.274 50 30 EIEARN C[C@H]1CCc2c(C#N)c(NC(=O)[C@H]3C[C@@H]3c3ccccc3)sc2C1 ZINC000000996153 258048985 /nfs/dbraw/zinc/04/89/85/258048985.db2.gz IKJPBFXZEUMVCN-MAZHCROVSA-N 0 0 336.460 4.487 50 30 EIEARN Cc1cccc(Nc2nnc(Sc3ccc(C#N)cn3)s2)c1 ZINC000012537465 258055200 /nfs/dbraw/zinc/05/52/00/258055200.db2.gz JGCCFKCRRNHWHX-UHFFFAOYSA-N 0 0 325.422 4.008 50 30 EIEARN C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(N(C)C)c1 ZINC000069670064 258063785 /nfs/dbraw/zinc/06/37/85/258063785.db2.gz RPWWVAVZFQXOKH-CQSZACIVSA-N 0 0 339.464 4.257 50 30 EIEARN Cc1ccc(N2CCN(/N=C/c3cccc(Cl)c3Cl)CC2)cc1 ZINC000001743461 135656087 /nfs/dbraw/zinc/65/60/87/135656087.db2.gz TVEWUNAZSQUYBC-FYJGNVAPSA-N 0 0 348.277 4.458 50 30 EIEARN C=CCCC(=O)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 ZINC000011841186 518695225 /nfs/dbraw/zinc/69/52/25/518695225.db2.gz IKWPMUQKRPONQG-HNNXBMFYSA-N 0 0 347.867 4.454 50 30 EIEARN C=CCN(Cc1ccccn1)C(=O)c1cc(C)nc2c(C)cccc12 ZINC000055182672 518787496 /nfs/dbraw/zinc/78/74/96/518787496.db2.gz AKSBOLXCRVQMMK-UHFFFAOYSA-N 0 0 331.419 4.075 50 30 EIEARN CC(C)(C)c1ccc(C(=N)NOC(=O)c2sccc2Cl)cc1 ZINC000004324007 519011408 /nfs/dbraw/zinc/01/14/08/519011408.db2.gz SWWDSSZFIZHZEI-UHFFFAOYSA-N 0 0 336.844 4.176 50 30 EIEARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1sccc1C#N ZINC000017344549 519106423 /nfs/dbraw/zinc/10/64/23/519106423.db2.gz OWPAXGFJAANTKJ-UHFFFAOYSA-N 0 0 325.418 4.304 50 30 EIEARN C=CCc1c(C)c2ccc(OCC(=O)c3ccc(C)cc3)cc2oc1=O ZINC000000977210 519120266 /nfs/dbraw/zinc/12/02/66/519120266.db2.gz CVPLWPNCOIPOPZ-UHFFFAOYSA-N 0 0 348.398 4.400 50 30 EIEARN C=CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccccc1 ZINC000005068618 519232247 /nfs/dbraw/zinc/23/22/47/519232247.db2.gz YYLFLIHGVHUKDG-UHFFFAOYSA-N 0 0 349.459 4.415 50 30 EIEARN CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1Cl ZINC000004854516 520077628 /nfs/dbraw/zinc/07/76/28/520077628.db2.gz XGFADMYYXYWKEG-MRXNPFEDSA-N 0 0 335.831 4.205 50 30 EIEARN CCCCSc1nnc(C(F)F)n1/N=C/c1ccccc1F ZINC000036611902 520978244 /nfs/dbraw/zinc/97/82/44/520978244.db2.gz IRCFVYMGEVIYIQ-GIJQJNRQSA-N 0 0 328.363 4.129 50 30 EIEARN Cc1ccc(C[C@H](C#N)Sc2nnc(-c3cccs3)n2C)cc1 ZINC000026982061 524670934 /nfs/dbraw/zinc/67/09/34/524670934.db2.gz KSVUNMMQXQKGPU-CQSZACIVSA-N 0 0 340.477 4.079 50 30 EIEARN Cc1ccc(C(=O)OCC#CCSc2nc3ccccc3o2)cc1 ZINC000004689855 526236861 /nfs/dbraw/zinc/23/68/61/526236861.db2.gz FQNNZLHJDNTINK-UHFFFAOYSA-N 0 0 337.400 4.089 50 30 EIEARN Cn1cc(C(=O)/C=C/c2ccc(COc3cccc(Cl)c3)o2)cn1 ZINC000006925525 527150711 /nfs/dbraw/zinc/15/07/11/527150711.db2.gz RDADQRGZDDODAZ-BQYQJAHWSA-N 0 0 342.782 4.142 50 30 EIEARN O=C(CCc1ccc(O)cc1)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000328587356 527588225 /nfs/dbraw/zinc/58/82/25/527588225.db2.gz GWMPTOUDSBMRCQ-YLJYHZDGSA-N 0 0 325.408 4.059 50 30 EIEARN CC(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc1 ZINC000000071092 563215485 /nfs/dbraw/zinc/21/54/85/563215485.db2.gz ICQLLAVHLBEZIP-SFHVURJKSA-N 0 0 336.439 4.060 50 30 EIEARN N#C[C@@H](C(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 ZINC000000086638 563220809 /nfs/dbraw/zinc/22/08/09/563220809.db2.gz FPFJTOZAZJMXNZ-NSHDSACASA-N 0 0 330.174 4.360 50 30 EIEARN O=C1CC(c2cccs2)CC(=O)C1=CNc1ccccc1Cl ZINC000000149246 563245768 /nfs/dbraw/zinc/24/57/68/563245768.db2.gz SOWYTRPWBLDWAC-UHFFFAOYSA-N 0 0 331.824 4.413 50 30 EIEARN NC(=O)c1ccccc1/N=C/c1cccc(OCc2ccccc2)c1 ZINC000000587464 563351709 /nfs/dbraw/zinc/35/17/09/563351709.db2.gz DHJHNUACZWMSKA-OEAKJJBVSA-N 0 0 330.387 4.115 50 30 EIEARN COc1ccccc1[C@@H](C#N)N1CCC(c2ccc(Cl)cc2)=N1 ZINC000001443652 563389553 /nfs/dbraw/zinc/38/95/53/563389553.db2.gz UVZWNWMOHCTNTA-QGZVFWFLSA-N 0 0 325.799 4.023 50 30 EIEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@@H](c3ccccc3)[C@@H]12 ZINC000006622753 563574794 /nfs/dbraw/zinc/57/47/94/563574794.db2.gz CJFWICNRVVUMQB-UYAOXDASSA-N 0 0 327.383 4.093 50 30 EIEARN COc1cccc2cc(C(=O)/C=C/c3ccc(OC)c(OC)c3)oc21 ZINC000016393550 563597639 /nfs/dbraw/zinc/59/76/39/563597639.db2.gz PFGSQRCXHIMTIS-VQHVLOKHSA-N 0 0 338.359 4.355 50 30 EIEARN CCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000002747081 563611709 /nfs/dbraw/zinc/61/17/09/563611709.db2.gz BVGLNEFMKSMXIG-UHFFFAOYSA-N 0 0 325.268 4.296 50 30 EIEARN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3cccc(F)c3)S2)c1 ZINC000008410956 563629756 /nfs/dbraw/zinc/62/97/56/563629756.db2.gz IAQDPHBEXNZYOZ-YBEGLDIGSA-N 0 0 326.396 4.334 50 30 EIEARN Cc1ccc(NC(=O)O/N=C\c2ccc(Br)cc2)cc1 ZINC000008557479 563649188 /nfs/dbraw/zinc/64/91/88/563649188.db2.gz JEOONNDBWXYJSK-YVLHZVERSA-N 0 0 333.185 4.340 50 30 EIEARN C[C@@H]1CC(C)(C)N2C(=O)/C(=N\c3ccc4c(c3)OCO4)c3cccc1c32 ZINC000013814770 563724395 /nfs/dbraw/zinc/72/43/95/563724395.db2.gz OGJCKFDWRAVTEV-DIPZADQQSA-N 0 0 348.402 4.169 50 30 EIEARN CC[C@@H](C)c1ccccc1NC(=O)COc1ccc(C#N)cc1OC ZINC000004494097 563733905 /nfs/dbraw/zinc/73/39/05/563733905.db2.gz RISQJLQXOYWOSS-CQSZACIVSA-N 0 0 338.407 4.098 50 30 EIEARN COc1cc(/C=N/O)cc(Cl)c1OCc1ccccc1Cl ZINC000016195805 563805616 /nfs/dbraw/zinc/80/56/16/563805616.db2.gz NPFXBGCUFFJRPK-QGMBQPNBSA-N 0 0 326.179 4.389 50 30 EIEARN CCCc1ccc(S(=O)(=O)N/N=C2/C[C@H](C)CC(C)(C)C2)cc1 ZINC000017070780 563833275 /nfs/dbraw/zinc/83/32/75/563833275.db2.gz MUKVCTOLQURHSR-DNQHLSNTSA-N 0 0 336.501 4.120 50 30 EIEARN CCOC(=O)c1ccc(NC(C)=CC(=O)c2ccc(OC)cc2)cc1 ZINC000018212380 563851047 /nfs/dbraw/zinc/85/10/47/563851047.db2.gz BJHCOFMDJLPOOS-BUHFOSPRSA-N 0 0 339.391 4.071 50 30 EIEARN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)CC1CCCCC1 ZINC000072230410 563876018 /nfs/dbraw/zinc/87/60/18/563876018.db2.gz IQFPZQMHQVZNFA-UHFFFAOYSA-N 0 0 347.933 4.300 50 30 EIEARN N#Cc1ccc(NC(=O)c2ccccc2Br)cc1Cl ZINC000000441591 563892537 /nfs/dbraw/zinc/89/25/37/563892537.db2.gz RSFFMGGSPVCLHN-UHFFFAOYSA-N 0 0 335.588 4.226 50 30 EIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3C[C@@H]3c3ccccc3)sc2C1 ZINC000000483452 563920188 /nfs/dbraw/zinc/92/01/88/563920188.db2.gz IKJPBFXZEUMVCN-WQVCFCJDSA-N 0 0 336.460 4.487 50 30 EIEARN Cc1noc2c1[C@@H](c1cccc(F)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000013732951 563932437 /nfs/dbraw/zinc/93/24/37/563932437.db2.gz ZPCNYYAINQHUMD-MRXNPFEDSA-N 0 0 326.371 4.323 50 30 EIEARN COc1ccc(-c2csc(C(C#N)C(=O)[C@@H]3CC=CCC3)n2)cc1 ZINC000058305087 563942089 /nfs/dbraw/zinc/94/20/89/563942089.db2.gz VYQDGBQCUAQOJP-ZBFHGGJFSA-N 0 0 338.432 4.351 50 30 EIEARN C=CCSc1nc2cccc(F)c2c(=O)n1-c1ccc(C)c(C)c1 ZINC000003118943 563949874 /nfs/dbraw/zinc/94/98/74/563949874.db2.gz DKLYCOIQKOHUIV-UHFFFAOYSA-N 0 0 340.423 4.420 50 30 EIEARN CC(=O)C1=C(C)N(C)C2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1 ZINC000096602707 563962143 /nfs/dbraw/zinc/96/21/43/563962143.db2.gz MRGJWIGQZCXBLD-LJQANCHMSA-N 0 0 329.399 4.186 50 30 EIEARN N#Cc1ccc(C(F)(F)F)c(N[C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000097163623 563968432 /nfs/dbraw/zinc/96/84/32/563968432.db2.gz ADDQOFRHSOAIRW-SWLSCSKDSA-N 0 0 342.386 4.044 50 30 EIEARN C=CCN1C(=O)S/C(=C\c2cccn2-c2ccc(C)c(C)c2)C1=O ZINC000033286814 563972946 /nfs/dbraw/zinc/97/29/46/563972946.db2.gz AQBYSHXHVSYMGF-ATVHPVEESA-N 0 0 338.432 4.316 50 30 EIEARN O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccccc1F ZINC000033348149 563974750 /nfs/dbraw/zinc/97/47/50/563974750.db2.gz YMWCMEARQFKKKI-NTEUORMPSA-N 0 0 332.787 4.371 50 30 EIEARN Cn1ccc([C@H](NC(=O)Cc2cccs2)c2ccc(Cl)cc2)n1 ZINC000328587425 563984044 /nfs/dbraw/zinc/98/40/44/563984044.db2.gz QGSXWCONEDLMNT-QGZVFWFLSA-N 0 0 345.855 4.424 50 30 EIEARN CCCO[C@@H]1CCCN(C(=O)Nc2nc(C3CCC3)cs2)CC1 ZINC000328588464 563984068 /nfs/dbraw/zinc/98/40/68/563984068.db2.gz PVAHBLCBQYCDQF-CQSZACIVSA-N 0 0 337.489 4.237 50 30 EIEARN COc1ccc(C2CC(=O)C(=Cc3c[nH]c4ccccc34)C(=O)C2)cc1 ZINC000000174695 563987650 /nfs/dbraw/zinc/98/76/50/563987650.db2.gz WUFCTTXGDYSOII-UHFFFAOYSA-N 0 0 345.398 4.276 50 30 biogenic EIEARN CCOc1ccc(/C=C2\CCc3cc(OC)ccc3C2=O)cc1OC ZINC000000214485 563988649 /nfs/dbraw/zinc/98/86/49/563988649.db2.gz UMHPOZBAQCMRPD-LFIBNONCSA-N 0 0 338.403 4.315 50 30 EIEARN COc1cc(/C=C2\CC[C@@H](C3CCCC3)C2=O)cc(OC)c1OC ZINC000000247788 563989435 /nfs/dbraw/zinc/98/94/35/563989435.db2.gz OTWVFZBVSUIEKE-KMPOOHAWSA-N 0 0 330.424 4.265 50 30 EIEARN CCOC(=O)c1cccc(Nc2nc3cc(OC)ccc3cc2C#N)c1 ZINC000000269886 563989932 /nfs/dbraw/zinc/98/99/32/563989932.db2.gz YJPYIUPBRRIIPD-UHFFFAOYSA-N 0 0 347.374 4.035 50 30 EIEARN COc1ccc(CCCC(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 ZINC000061069111 563992573 /nfs/dbraw/zinc/99/25/73/563992573.db2.gz YXWJZYVZDPWASA-MRXNPFEDSA-N 0 0 334.375 4.036 50 30 EIEARN CCN1C(=O)/C(=C\c2cccs2)SC1=Nc1ccc(OC)cc1 ZINC000252617108 563997944 /nfs/dbraw/zinc/99/79/44/563997944.db2.gz KMLRFNVZFZBKEU-SQONSMICSA-N 0 0 344.461 4.381 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc(CC)cc1 ZINC000000428096 563998871 /nfs/dbraw/zinc/99/88/71/563998871.db2.gz AHWDGCDFAHQUDG-XLIONFOSSA-N 0 0 338.403 4.161 50 30 EIEARN CC(Nc1cccc(C(F)(F)F)c1)=C1C(=O)c2ccccc2C1=O ZINC000000441852 563999597 /nfs/dbraw/zinc/99/95/97/563999597.db2.gz RXNHSHJINXXUPK-UHFFFAOYSA-N 0 0 331.293 4.471 50 30 EIEARN C=CCOc1ccc(C=NNc2nc3ccccc3s2)cc1OC ZINC000005174164 563999940 /nfs/dbraw/zinc/99/99/40/563999940.db2.gz UDUSICVFCVPAOF-XDHOZWIPSA-N 0 0 339.420 4.316 50 30 EIEARN CSc1nc(-c2ccc(C)cc2)c(C#N)c(N2CCCCCC2)n1 ZINC000005607418 564006344 /nfs/dbraw/zinc/00/63/44/564006344.db2.gz FPDIXNHAPIJXBX-UHFFFAOYSA-N 0 0 338.480 4.426 50 30 EIEARN N#CC1(C#N)[C@@H](Cc2ccccc2)[C@@H]1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000017724783 564012325 /nfs/dbraw/zinc/01/23/25/564012325.db2.gz SMLBHPLJVOMVNE-GKHXVQBSSA-N 0 0 344.458 4.294 50 30 EIEARN C=CCNC(=S)Nc1scc(-c2ccccc2)c1C(=O)OCC ZINC000003148792 564014495 /nfs/dbraw/zinc/01/44/95/564014495.db2.gz XBNLUHMDAAJBSU-UHFFFAOYSA-N 0 0 346.477 4.064 50 30 EIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)c1ccco1 ZINC000000490678 564017589 /nfs/dbraw/zinc/01/75/89/564017589.db2.gz GZZYGYFWSOTOHA-WQRHYEAKSA-N 0 0 332.311 4.115 50 30 biogenic EIEARN COc1ccc(OC)c(C(=O)C=CNc2cccc(Cl)c2C)c1 ZINC000051318582 564024468 /nfs/dbraw/zinc/02/44/68/564024468.db2.gz HMFNAWVXAIPOLN-MDZDMXLPSA-N 0 0 331.799 4.474 50 30 EIEARN CCOC(=O)c1ccc(NC2=C(C(=O)C(F)(F)F)CCCC2)cc1 ZINC000022135459 564034242 /nfs/dbraw/zinc/03/42/42/564034242.db2.gz WEKWGTUTFKHPIP-UHFFFAOYSA-N 0 0 341.329 4.235 50 30 EIEARN N#Cc1c(N)c(C(=O)c2cccs2)sc1Nc1ccccc1 ZINC000000808879 564034414 /nfs/dbraw/zinc/03/44/14/564034414.db2.gz FPOZQNQWQAFEAN-UHFFFAOYSA-N 0 0 325.418 4.238 50 30 EIEARN C#CCOc1ccc(CNc2ccc(F)cc2)cc1Br ZINC000002846506 564035990 /nfs/dbraw/zinc/03/59/90/564035990.db2.gz SPAQBBWIMCONME-UHFFFAOYSA-N 0 0 334.188 4.212 50 30 EIEARN C=CCOc1c(Cl)cc(C(=S)N2CCCC2)cc1OCC ZINC000002866353 564036232 /nfs/dbraw/zinc/03/62/32/564036232.db2.gz WRKUVZCQTPVKTF-UHFFFAOYSA-N 0 0 325.861 4.075 50 30 EIEARN N#C[C@H](C(=O)c1cccc(Cl)c1)c1nc(-c2ccncc2)cs1 ZINC000128838174 564051033 /nfs/dbraw/zinc/05/10/33/564051033.db2.gz HTVLXSQZWVJQLX-CQSZACIVSA-N 0 0 339.807 4.349 50 30 EIEARN Cn1ccc2cc(-c3cccc(C(=O)N4CCC[C@H](C#N)C4)c3)ccc21 ZINC000426635312 564051430 /nfs/dbraw/zinc/05/14/30/564051430.db2.gz IZXCBQIRGGUCNB-MRXNPFEDSA-N 0 0 343.430 4.221 50 30 EIEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1 ZINC000005788547 564052143 /nfs/dbraw/zinc/05/21/43/564052143.db2.gz HLNWZTNSWCBOAF-LJQANCHMSA-N 0 0 334.419 4.321 50 30 EIEARN C[C@H](NCc1cccc(C#N)c1)c1ccc(C(F)(F)F)nc1Cl ZINC000585140071 564052666 /nfs/dbraw/zinc/05/26/66/564052666.db2.gz ZVUOHBCXCGXKSD-JTQLQIEISA-N 0 0 339.748 4.476 50 30 EIEARN N#Cc1ccc(NCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000015122390 564053697 /nfs/dbraw/zinc/05/36/97/564053697.db2.gz INXRCURHDNJCRY-UHFFFAOYSA-N 0 0 343.386 4.401 50 30 EIEARN O=C(CN1CCC[C@H](C(F)(F)F)C1)Nc1cccc2ncccc21 ZINC000082098431 564056255 /nfs/dbraw/zinc/05/62/55/564056255.db2.gz DIIMPUBJYLEQIY-LBPRGKRZSA-N 0 0 337.345 4.097 50 30 EIEARN N#Cc1ccc(NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)nc1 ZINC000025573189 564056283 /nfs/dbraw/zinc/05/62/83/564056283.db2.gz LVWXWNONZRZBPW-NXEZZACHSA-N 0 0 337.267 4.275 50 30 EIEARN N#CC1(C#N)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1cccc(F)c1 ZINC000005892496 564056816 /nfs/dbraw/zinc/05/68/16/564056816.db2.gz FBHBGRMZWXDZHZ-WASYBLRVSA-N 0 0 348.421 4.358 50 30 EIEARN Brc1ccccc1CN=Nc1nc2c(s1)CCCC2 ZINC000031854627 564060996 /nfs/dbraw/zinc/06/09/96/564060996.db2.gz GHRIOLZOVPPOEF-SXGWCWSVSA-N 0 0 336.258 4.230 50 30 EIEARN N#Cc1cnn2c1N[C@H](c1ccc(Cl)cc1)C[C@H]2C(F)(F)F ZINC000002766757 564061060 /nfs/dbraw/zinc/06/10/60/564061060.db2.gz 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C=CCN1C(=O)/C(=C\c2c(C)[nH]c3ccc(C)cc32)SC1=S ZINC000001181058 564074676 /nfs/dbraw/zinc/07/46/76/564074676.db2.gz WPDWNPGIJCZINF-OQLLNIDSSA-N 0 0 328.462 4.172 50 30 EIEARN C=CCn1c(S[C@@H](C)c2cnccn2)nnc1-c1ccccc1C ZINC000186299787 564077046 /nfs/dbraw/zinc/07/70/46/564077046.db2.gz LPBOIJZVKLHDIN-AWEZNQCLSA-N 0 0 337.452 4.083 50 30 EIEARN C=CCn1c(S[C@H](C)c2cnccn2)nnc1-c1ccccc1C ZINC000186299804 564077074 /nfs/dbraw/zinc/07/70/74/564077074.db2.gz LPBOIJZVKLHDIN-CQSZACIVSA-N 0 0 337.452 4.083 50 30 EIEARN COc1cc(C(=O)/C=C/c2cccc(Br)c2)ccc1O ZINC000008322718 564082258 /nfs/dbraw/zinc/08/22/58/564082258.db2.gz AZFXALXSKKXEIX-FNORWQNLSA-N 0 0 333.181 4.059 50 30 EIEARN N#CCC[C@H](NC(=O)N1CCC(c2ccncc2)CC1)c1ccccc1 ZINC000190604229 564083837 /nfs/dbraw/zinc/08/38/37/564083837.db2.gz RUAIHQRNWGCUHP-FQEVSTJZSA-N 0 0 348.450 4.016 50 30 EIEARN N#Cc1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000006328128 564085078 /nfs/dbraw/zinc/08/50/78/564085078.db2.gz PTQBHEASUAORNC-UHFFFAOYSA-N 0 0 334.400 4.026 50 30 EIEARN O=C(/C=C/c1ccccc1C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000013140774 564085090 /nfs/dbraw/zinc/08/50/90/564085090.db2.gz ABHCXZTZBUSGRN-FNORWQNLSA-N 0 0 334.293 4.373 50 30 EIEARN C[C@@]12CC[C@@H]3[C@](C)(CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@H]2C(=O)CO ZINC000253531426 564089497 /nfs/dbraw/zinc/08/94/97/564089497.db2.gz OZKHZCRNQRVNGM-CFPUCVPGSA-N 0 0 344.495 4.086 50 30 EIEARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(C#N)c2)cs1 ZINC000026883527 564090298 /nfs/dbraw/zinc/09/02/98/564090298.db2.gz ICSCXKOIDJMXBN-UHFFFAOYSA-N 0 0 345.427 4.193 50 30 EIEARN CCOc1ccc2ncc(C#N)c(Nc3cc(OC)ccc3OC)c2c1 ZINC000064438756 564091295 /nfs/dbraw/zinc/09/12/95/564091295.db2.gz XTCXDTAIDJKREX-UHFFFAOYSA-N 0 0 349.390 4.266 50 30 EIEARN CCn1ncc(Cl)c1/C=C/C(=O)c1ccc(Br)cc1 ZINC000006556043 564092006 /nfs/dbraw/zinc/09/20/06/564092006.db2.gz ATFBOOKVQVTTEK-BQYQJAHWSA-N 0 0 339.620 4.215 50 30 EIEARN CCCCn1c(SCc2ccc(C#N)cc2)nc2ccccc2c1=O ZINC000006654260 564095505 /nfs/dbraw/zinc/09/55/05/564095505.db2.gz 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Cc1csc(=NN=Cc2ccccc2Cl)n1-c1ccccc1 ZINC000252617368 564122155 /nfs/dbraw/zinc/12/21/55/564122155.db2.gz KRFZAGJOWNNLTH-UHFFFAOYSA-N 0 0 327.840 4.435 50 30 EIEARN CCN1C(=O)/C(=C\c2ccccc2O)SC1=Nc1ccc(C)cc1 ZINC000252629664 564123524 /nfs/dbraw/zinc/12/35/24/564123524.db2.gz ULDYUPSFWIVPKL-NETLLJLASA-N 0 0 338.432 4.325 50 30 EIEARN COc1ccc(C=NC2=NN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000252629476 564123544 /nfs/dbraw/zinc/12/35/44/564123544.db2.gz UGUKPONAMGPFML-UHFFFAOYSA-N 0 0 347.340 4.357 50 30 EIEARN CCOC(=O)c1c(C)c(C)sc1N=Cc1ccc(N(C)C)cc1 ZINC000252629525 564123548 /nfs/dbraw/zinc/12/35/48/564123548.db2.gz UIFACWCXZCEDKG-UHFFFAOYSA-N 0 0 330.453 4.358 50 30 EIEARN CCOc1ccc(C(C)=O)cc1COc1ccc(C#N)cc1Cl ZINC000007856544 564124261 /nfs/dbraw/zinc/12/42/61/564124261.db2.gz DKDLKFDCYPBDFA-UHFFFAOYSA-N 0 0 329.783 4.392 50 30 EIEARN CCN1C(=O)/C(=C\c2ccncc2)SC1=Nc1ccc(C)c(C)c1 ZINC000252639273 564124598 /nfs/dbraw/zinc/12/45/98/564124598.db2.gz YIWVFBQFESZRHO-VZTGFIPTSA-N 0 0 337.448 4.322 50 30 EIEARN C=CCn1c(SCCCCC)nc2sc3c(c2c1=O)CCC3 ZINC000002259050 564125360 /nfs/dbraw/zinc/12/53/60/564125360.db2.gz YYNVHDSYRDJJSX-UHFFFAOYSA-N 0 0 334.510 4.415 50 30 EIEARN Cn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(Cl)c1 ZINC000002325674 564132279 /nfs/dbraw/zinc/13/22/79/564132279.db2.gz YSNDQYSJPMXGKV-UHFFFAOYSA-N 0 0 340.839 4.299 50 30 EIEARN COc1ccc(-c2c(C#N)c(OC)nc3c2CCc2ccccc2-3)cc1 ZINC000000159913 564132897 /nfs/dbraw/zinc/13/28/97/564132897.db2.gz BUEZPLVGFFIRKK-UHFFFAOYSA-N 0 0 342.398 4.403 50 30 EIEARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CC(O)=C(C=O)C[C@]34C)[C@H]1CC[C@]2(C)O ZINC000253529913 564132997 /nfs/dbraw/zinc/13/29/97/564132997.db2.gz ICMWWNHDUZJFDW-CAJNPCBGSA-N 0 0 332.484 4.401 50 30 EIEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccncc3)sc2C1 ZINC000000433911 564133250 /nfs/dbraw/zinc/13/32/50/564133250.db2.gz KRENOCAMJWBHKD-ZDUSSCGKSA-N 0 0 339.464 4.418 50 30 EIEARN N#Cc1c2c(sc1NC(=O)c1cc(-c3ccccc3)on1)CCCC2 ZINC000000614632 564133493 /nfs/dbraw/zinc/13/34/93/564133493.db2.gz 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ZINC000328587868 564136597 /nfs/dbraw/zinc/13/65/97/564136597.db2.gz CXMZVVAZWPVILS-CYBMUJFWSA-N 0 0 342.370 4.050 50 30 EIEARN O=C(Nc1ncc(C(F)(F)F)s1)N1CCC[C@@H]1c1ccco1 ZINC000328588582 564136623 /nfs/dbraw/zinc/13/66/23/564136623.db2.gz JGPSFQAOGADSMQ-MRVPVSSYSA-N 0 0 331.319 4.138 50 30 EIEARN CC(=O)N[C@H](CC1CCC1)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000328588414 564136637 /nfs/dbraw/zinc/13/66/37/564136637.db2.gz GCUOBUDMVKYHSQ-ZNMIVQPWSA-N 0 0 335.448 4.196 50 30 EIEARN Cc1ccc(O[C@@H](C)CNC(=O)C(C)(C)c2ccc(O)cc2)cc1 ZINC000328594399 564136806 /nfs/dbraw/zinc/13/68/06/564136806.db2.gz HYHNEHBMWRUBIJ-HNNXBMFYSA-N 0 0 327.424 4.402 50 30 EIEARN CCCn1c(C)nnc1CSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000096007248 564144520 /nfs/dbraw/zinc/14/45/20/564144520.db2.gz NNPNHLMFBDFINH-UHFFFAOYSA-N 0 0 340.374 4.179 50 30 EIEARN O=C(/C=C\C(Cl)=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000096133893 564145784 /nfs/dbraw/zinc/14/57/84/564145784.db2.gz SSFLIVURUHUENQ-QSVMJGSKSA-N 0 0 326.779 4.477 50 30 EIEARN Cc1cccc(/C=C\C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 ZINC000096291400 564146419 /nfs/dbraw/zinc/14/64/19/564146419.db2.gz DLJYEFFDBTWIMU-OWBHPGMISA-N 0 0 338.410 4.442 50 30 EIEARN N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1NCCOc1ccccc1 ZINC000096346338 564146854 /nfs/dbraw/zinc/14/68/54/564146854.db2.gz LBEOIXFUNZCBPM-MSOLQXFVSA-N 0 0 345.402 4.308 50 30 EIEARN CC[C@@](C)(NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1nccs1 ZINC000096417953 564147878 /nfs/dbraw/zinc/14/78/78/564147878.db2.gz ZEAUHIAWJBGTRS-GOSISDBHSA-N 0 0 342.468 4.391 50 30 EIEARN CC(=O)Nc1ccc(-c2csc(Nc3ccc(C#N)cc3)n2)cc1 ZINC000002562041 564150875 /nfs/dbraw/zinc/15/08/75/564150875.db2.gz NANDMCRQACJASA-UHFFFAOYSA-N 0 0 334.404 4.384 50 30 EIEARN N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000230197898 564155080 /nfs/dbraw/zinc/15/50/80/564155080.db2.gz MZANEIGGLAHDEH-AVGNSLFASA-N 0 0 331.202 4.368 50 30 EIEARN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1sccc1C#N ZINC000057993016 564157068 /nfs/dbraw/zinc/15/70/68/564157068.db2.gz ORRFZYUFIQBGMT-GFCCVEGCSA-N 0 0 328.437 4.323 50 30 EIEARN COc1ccc(C(=O)c2ccccc2)c(OCc2ccccc2C#N)c1 ZINC000008186025 564163394 /nfs/dbraw/zinc/16/33/94/564163394.db2.gz ZPFZCKHESUTCMC-UHFFFAOYSA-N 0 0 343.382 4.377 50 30 EIEARN C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1 ZINC000066861207 564164434 /nfs/dbraw/zinc/16/44/34/564164434.db2.gz KKPMFSDNCKFJBW-AWEZNQCLSA-N 0 0 325.437 4.131 50 30 EIEARN CCCCCc1nc2ccccc2n1CC(=O)Nc1cccc(C#N)c1 ZINC000008625492 564166141 /nfs/dbraw/zinc/16/61/41/564166141.db2.gz XSFRCBZGAMZGHS-UHFFFAOYSA-N 0 0 346.434 4.279 50 30 EIEARN C=CCn1c(-c2ccc(Cl)cc2)cnc1SCc1nnc(C)o1 ZINC000008706436 564166495 /nfs/dbraw/zinc/16/64/95/564166495.db2.gz OWDKZWNRMWKFDA-UHFFFAOYSA-N 0 0 346.843 4.373 50 30 EIEARN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccnc1 ZINC000069454898 564169659 /nfs/dbraw/zinc/16/96/59/564169659.db2.gz NTWYRMCYUKNVGU-UHFFFAOYSA-N 0 0 343.386 4.093 50 30 EIEARN CS[C@@H](C)C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000069702502 564171618 /nfs/dbraw/zinc/17/16/18/564171618.db2.gz AKGAQUMYGIDFRE-IONNQARKSA-N 0 0 344.383 4.243 50 30 EIEARN COCCCC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000069704264 564171638 /nfs/dbraw/zinc/17/16/38/564171638.db2.gz HNLNBTFQTXPVQN-UHFFFAOYSA-N 0 0 346.374 4.076 50 30 EIEARN Cc1cc(C)c(C#N)c(NCc2cc(Br)ccc2F)n1 ZINC000041065303 564172950 /nfs/dbraw/zinc/17/29/50/564172950.db2.gz MWUKJKUARZEEOA-UHFFFAOYSA-N 0 0 334.192 4.084 50 30 EIEARN C=C(C)CNC(=S)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000070014301 564173323 /nfs/dbraw/zinc/17/33/23/564173323.db2.gz GAFDAQNVUNXCGL-TVRCVXMWSA-N 0 0 348.515 4.324 50 30 EIEARN COc1ccc(C(=O)/C=C/c2ccc3ncccc3c2)cc1NC(C)=O ZINC000070040246 564173503 /nfs/dbraw/zinc/17/35/03/564173503.db2.gz XQPFUHKESORNNG-RMKNXTFCSA-N 0 0 346.386 4.098 50 30 EIEARN CCc1oc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)ccc2C)cc1C ZINC000101652926 568417301 /nfs/dbraw/zinc/41/73/01/568417301.db2.gz UYWUWAHASODRFG-CYBMUJFWSA-N 0 0 344.798 4.073 50 30 EIEARN O=C(Cc1ccc2ccccc2n1)C(F)(F)C(F)(F)C(F)(F)F ZINC000013208240 1019852407 /nfs/dbraw/zinc/85/24/07/1019852407.db2.gz GAETYQCJMAQPIF-UHFFFAOYSA-N 0 0 339.210 4.179 50 30 EIEARN COc1ccc(Br)cc1/C=C\C(=O)c1ccc(O)cc1 ZINC000077020742 1021231164 /nfs/dbraw/zinc/23/11/64/1021231164.db2.gz ORCQJAUSIVGUQM-YWEYNIOJSA-N 0 0 333.181 4.059 50 30 EIEARN O=C(CS(=O)(=O)Cc1ccccc1C1CC1)NC1CCCCCC1 ZINC000329798017 1023590720 /nfs/dbraw/zinc/59/07/20/1023590720.db2.gz GFFGFNKLZFBRGS-UHFFFAOYSA-N 0 0 349.496 4.158 50 30 EIEARN CC(C)(C#N)CCCn1ccc(=O)c2cccc(OC(F)(F)F)c21 ZINC000888092633 1025896472 /nfs/dbraw/zinc/89/64/72/1025896472.db2.gz MFQLBKBICOOTBG-UHFFFAOYSA-N 0 0 338.329 4.230 50 30 EIEARN COc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1-c1ccccc1 ZINC000051898257 1026441056 /nfs/dbraw/zinc/44/10/56/1026441056.db2.gz QDJLTGQIEZSAEQ-SFHVURJKSA-N 0 0 328.371 4.247 50 30 EIEARN CN=C(Nc1ccc(Br)cc1Cl)c1cccs1 ZINC000025573342 1027433774 /nfs/dbraw/zinc/43/37/74/1027433774.db2.gz WXXOPPOFKAWXOW-UHFFFAOYSA-N 0 0 329.650 4.462 50 30 EIEARN O=C(N[C@@H]1CCCOc2c(Cl)cccc21)c1ncoc1C1CC1 ZINC000329005791 1027571995 /nfs/dbraw/zinc/57/19/95/1027571995.db2.gz YTCRXHYSCFGOSN-CYBMUJFWSA-N 0 0 332.787 4.424 50 30 EIEARN O=C(C[C@@H]1CCCC(=O)N1)N[C@]1(C(F)(F)F)CCc2ccccc21 ZINC000329678196 1027971355 /nfs/dbraw/zinc/97/13/55/1027971355.db2.gz WWIZYNRVYLGFIR-BLLLJJGKSA-N 0 0 340.345 4.246 50 30 EIEARN N#CCN(C(=O)C[C@@]12CCCC[C@@H]1C2(F)F)c1ccc(Cl)cc1 ZINC000598846154 1029636493 /nfs/dbraw/zinc/63/64/93/1029636493.db2.gz UEMYTSAFPIKIKA-HOCLYGCPSA-N 0 0 338.785 4.412 50 30 EIEARN COC(=O)/C(=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C)=O ZINC000003106624 1030387035 /nfs/dbraw/zinc/38/70/35/1030387035.db2.gz IOZPEGBGBVOSBX-ZROIWOOFSA-N 0 0 332.440 4.133 50 30 EIEARN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21C=CC(=O)O1 ZINC000257355559 1034627924 /nfs/dbraw/zinc/62/79/24/1034627924.db2.gz BGUOVGQHDRRBST-GOLQWDRCSA-N 0 0 340.463 4.370 50 30 EIEARN Oc1ccc(C=Nc2ccc(OC3CCCC3)c(F)c2)c(O)c1O ZINC000255188548 1036796615 /nfs/dbraw/zinc/79/66/15/1036796615.db2.gz SQSJHFPQJNICRY-UHFFFAOYSA-N 0 0 331.343 4.015 50 30 EIEARN O=C(N=C1N=C2C=CC=CN2Cc2ccccc21)c1ccc(Cl)cc1 ZINC000254387800 1037795039 /nfs/dbraw/zinc/79/50/39/1037795039.db2.gz XXQGFCZSHODMGQ-UHFFFAOYSA-N 0 0 347.805 4.225 50 30 EIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1ccc(O)cc1 ZINC000059352091 1038417147 /nfs/dbraw/zinc/41/71/47/1038417147.db2.gz XMXXWOANVKZJGL-UNOMPAQXSA-N 0 0 339.460 4.365 50 30 EIEARN O=C(/C=C\c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000096767077 1038790439 /nfs/dbraw/zinc/79/04/39/1038790439.db2.gz CYFNYKQUYPGSLT-XQRVVYSFSA-N 0 0 334.293 4.373 50 30 EIEARN O=C(/C=C\c1cccc(Cl)c1Cl)c1ccc2c(c1)NC(=O)CO2 ZINC000096920114 1039782683 /nfs/dbraw/zinc/78/26/83/1039782683.db2.gz CFHSBPBLQVYFEO-XQRVVYSFSA-N 0 0 348.185 4.220 50 30 EIEARN CCOc1ccc([C@H]2CCCN2C(=O)/C=C\c2ccc(C#N)cc2)cc1 ZINC000096925326 1039823576 /nfs/dbraw/zinc/82/35/76/1039823576.db2.gz SNNPBFDMPRSULK-XEGHISHKSA-N 0 0 346.430 4.334 50 30 EIEARN Cc1nc(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)oc1C ZINC000084061698 1041017079 /nfs/dbraw/zinc/01/70/79/1041017079.db2.gz SLBLDBLORZJMAX-LICLKQGHSA-N 0 0 342.464 4.264 50 30 EIEARN CCOc1ccccc1C(=O)/C=C\c1cc(Cl)c(O)c(OC)c1 ZINC000096765533 1041606312 /nfs/dbraw/zinc/60/63/12/1041606312.db2.gz OTFBMNHYPKRJPN-HJWRWDBZSA-N 0 0 332.783 4.349 50 30 EIEARN CC1(C)[C@H]2CC[C@]1(C)C(=NN=Cc1ccc(N3CCOCC3)cc1)C2 ZINC000606442191 1043066712 /nfs/dbraw/zinc/06/67/12/1043066712.db2.gz ARRURDCYSFEWEW-LAUBAEHRSA-N 0 0 339.483 4.144 50 30 EIEARN O=C1c2cc(F)ccc2OCCC1=Cc1nc(-c2ccccc2)c[nH]1 ZINC000606443682 1043067667 /nfs/dbraw/zinc/06/76/67/1043067667.db2.gz XLLCXNZWAYROLZ-GXDHUFHOSA-N 0 0 334.350 4.265 50 30 EIEARN N#CC1(NC(=O)Cc2cc3c(ccc4ccccc34)o2)CCCCC1 ZINC000178769330 1043576310 /nfs/dbraw/zinc/57/63/10/1043576310.db2.gz RHQDOWOVTRORSU-UHFFFAOYSA-N 0 0 332.403 4.471 50 30 EIEARN CCOc1cc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1O ZINC000033476393 1047341308 /nfs/dbraw/zinc/34/13/08/1047341308.db2.gz JGWYPUHLORWNLR-BAQGIRSFSA-N 0 0 347.754 4.249 50 30 EIEARN C#CCCC1(CCC(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)N=N1 ZINC000952879346 1049678504 /nfs/dbraw/zinc/67/85/04/1049678504.db2.gz DHWZIGZVMOOKAL-GOSISDBHSA-N 0 0 335.451 4.138 50 30 EIEARN C#CCCC1(CCC(=O)NCc2c(Cl)oc3ccccc32)N=N1 ZINC000952879376 1049679511 /nfs/dbraw/zinc/67/95/11/1049679511.db2.gz DNIXUHJMOPQUFA-UHFFFAOYSA-N 0 0 329.787 4.058 50 30 EIEARN COc1ccc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)c(C)c1 ZINC000252641498 1051197578 /nfs/dbraw/zinc/19/75/78/1051197578.db2.gz ZDMOMCPQPCQVAN-HDTIWSQQSA-N 0 0 338.432 4.237 50 30 EIEARN Cc1c2c(cc3c1OCN(C(C)C)C3)C(=O)/C(=C/c1cccs1)O2 ZINC000054333097 214231903 /nfs/dbraw/zinc/23/19/03/214231903.db2.gz NMIAJRPPSGEKTC-PXNMLYILSA-N 0 0 341.432 4.233 50 30 EIEARN CCC(C#CCN1CCCC[C@@H]1c1cccnc1)(CC)OCCC#N ZINC000055246709 214294763 /nfs/dbraw/zinc/29/47/63/214294763.db2.gz RIVTVWBERKXSNN-HXUWFJFHSA-N 0 0 339.483 4.101 50 30 EIEARN C=CCS[C@H](C)C(=O)Nc1cc(C)ccc1NC(=O)CCCC ZINC000055387445 214315444 /nfs/dbraw/zinc/31/54/44/214315444.db2.gz WCNYTBHKHPRPES-CQSZACIVSA-N 0 0 334.485 4.370 50 30 EIEARN N#Cc1ccc(Oc2ccc(/C=N/OCc3cccc(F)c3)cn2)cc1 ZINC000005428344 119350441 /nfs/dbraw/zinc/35/04/41/119350441.db2.gz QBGBWZZPZUIHIT-ZMOGYAJESA-N 0 0 347.349 4.435 50 30 EIEARN N#Cc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1Cl ZINC000004524382 210214245 /nfs/dbraw/zinc/21/42/45/210214245.db2.gz DTZLXMYDGQTDDO-UHFFFAOYSA-N 0 0 349.615 4.155 50 30 EIEARN CSc1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 ZINC000004517498 210211651 /nfs/dbraw/zinc/21/16/51/210211651.db2.gz SUCDDFMLVGZMAJ-UHFFFAOYSA-N 0 0 328.462 4.473 50 30 EIEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(Cl)cc3)S2)cc1 ZINC000004491534 210202485 /nfs/dbraw/zinc/20/24/85/210202485.db2.gz STVBNDPXBLZJNV-XNTDXEJSSA-N 0 0 344.823 4.240 50 30 EIEARN O=C(C=CNc1ccc(Cl)cn1)c1ccc(Br)cc1 ZINC000100634547 219103789 /nfs/dbraw/zinc/10/37/89/219103789.db2.gz XELARUUIJDVDCC-FPLPWBNLSA-N 0 0 337.604 4.306 50 30 EIEARN Cc1ccc(NC=C(C(=O)c2ccco2)C(=O)C(F)(F)F)cc1C ZINC000100862345 219109324 /nfs/dbraw/zinc/10/93/24/219109324.db2.gz KXWJIVIWNIYZSP-LCYFTJDESA-N 0 0 337.297 4.207 50 30 EIEARN O=C(C(=CNc1ccccc1F)C(=O)C(F)(F)F)c1ccccc1 ZINC000100862431 219110162 /nfs/dbraw/zinc/11/01/62/219110162.db2.gz IURGAKUZOWGIRM-BENRWUELSA-N 0 0 337.272 4.136 50 30 EIEARN Cc1cccc(NC=C(C(=O)c2ccccc2)C(=O)C(F)(F)F)c1 ZINC000100862420 219110251 /nfs/dbraw/zinc/11/02/51/219110251.db2.gz UNQNWXPCTPYGMJ-PTNGSMBKSA-N 0 0 333.309 4.305 50 30 EIEARN C=CCON=C(C)C1C(=O)CC(C)(C)[C@H](c2cccc(C)c2)C1=O ZINC000100935993 219111905 /nfs/dbraw/zinc/11/19/05/219111905.db2.gz XXUZWFBTZDZSSH-ALDSOSFCSA-N 0 0 327.424 4.468 50 30 EIEARN COc1cccc(/C=C/C(=O)c2ccc3ccccc3c2[O-])c1OC ZINC000004367796 210179812 /nfs/dbraw/zinc/17/98/12/210179812.db2.gz CQQDEJGEKATKBY-ACCUITESSA-N 0 0 334.371 4.459 50 30 EIEARN CC[C@H](C)Nc1nc2c(C)cccn2c(=O)c1/C=N/c1ccc(C)cc1 ZINC000101164370 219118108 /nfs/dbraw/zinc/11/81/08/219118108.db2.gz IYRFRFVTLPZJKY-QPNANDPSSA-N 0 0 348.450 4.272 50 30 EIEARN O=c1[nH]c2ccccc2nc1-c1ccccc1/N=C/c1ccc(F)cc1 ZINC000101203194 219118761 /nfs/dbraw/zinc/11/87/61/219118761.db2.gz LKTTUIAWCPUCMZ-YDZHTSKRSA-N 0 0 343.361 4.480 50 30 EIEARN CS/C(=N/C#N)NCCSCc1c(Cl)cccc1Cl ZINC000004323310 210170240 /nfs/dbraw/zinc/17/02/40/210170240.db2.gz RYUPKLHPISRWBD-UHFFFAOYSA-N 0 0 334.297 4.016 50 30 EIEARN N#CC1(C#N)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccccc1 ZINC000004182992 210141158 /nfs/dbraw/zinc/14/11/58/210141158.db2.gz YYDXDXFJSIRKMC-ZETIMSEASA-N 0 0 330.431 4.219 50 30 EIEARN Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Br)ccc1O ZINC000004160066 210135157 /nfs/dbraw/zinc/13/51/57/210135157.db2.gz DFRQKHVTDLUODS-LZYBPNLTSA-N 0 0 335.157 4.122 50 30 EIEARN O=C(NCC#Cc1ccccc1)c1sccc1-c1ccc(F)cc1 ZINC000065842094 214997384 /nfs/dbraw/zinc/99/73/84/214997384.db2.gz CTXFJWINPIUIDM-UHFFFAOYSA-N 0 0 335.403 4.336 50 30 EIEARN C=C(C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000004033485 210105118 /nfs/dbraw/zinc/10/51/18/210105118.db2.gz AUYFWUOHXYLSEW-GOSISDBHSA-N 0 0 345.446 4.129 50 30 EIEARN C=CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCC)SC1=S ZINC000003902975 210088852 /nfs/dbraw/zinc/08/88/52/210088852.db2.gz VIKXYZKILSJQNA-UKTHLTGXSA-N 0 0 339.869 4.126 50 30 EIEARN O=C(N=C(c1ccccc1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000003895235 210086578 /nfs/dbraw/zinc/08/65/78/210086578.db2.gz JPILXTZJTCZJMJ-UHFFFAOYSA-N 0 0 330.343 4.273 50 30 EIEARN Cn1c2ccccc2s/c1=N/N=C/c1ccccc1C(F)(F)F ZINC000102297749 219193908 /nfs/dbraw/zinc/19/39/08/219193908.db2.gz QDAMZAGNHBVEKW-FWNMTUQUSA-N 0 0 335.354 4.193 50 30 EIEARN N#Cc1ccc(NC(=O)COc2ccc(Nc3ccccc3)cc2)cc1 ZINC000003443061 210040043 /nfs/dbraw/zinc/04/00/43/210040043.db2.gz CSHOUKDFQGVUJP-UHFFFAOYSA-N 0 0 343.386 4.319 50 30 EIEARN COc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2c(C#N)cnn21 ZINC000102834141 219233926 /nfs/dbraw/zinc/23/39/26/219233926.db2.gz UGUIYSBRSGMHBI-GOSISDBHSA-N 0 0 348.406 4.071 50 30 EIEARN O=C(CON=C1c2ccccc2-c2ccccc21)Nc1ccccc1F ZINC000003312511 210004502 /nfs/dbraw/zinc/00/45/02/210004502.db2.gz KRPQXDVFTPIZCD-UHFFFAOYSA-N 0 0 346.361 4.214 50 30 EIEARN S=C(NN=C1c2ccccc2-c2ccccc21)Nc1ccccc1 ZINC000003210472 209977479 /nfs/dbraw/zinc/97/74/79/209977479.db2.gz ALPMQKMXXOQKJY-UHFFFAOYSA-N 0 0 329.428 4.406 50 30 EIEARN C=CCn1c(SCc2csc(C)n2)nnc1-c1ccoc1C ZINC000040456954 213304712 /nfs/dbraw/zinc/30/47/12/213304712.db2.gz YOZSEGAALAPUSF-UHFFFAOYSA-N 0 0 332.454 4.090 50 30 EIEARN CC(C)(C)c1cc(C#N)c(OCc2ccc([N+](=O)[O-])cc2)c(C#N)c1 ZINC000001405696 209742179 /nfs/dbraw/zinc/74/21/79/209742179.db2.gz IWKLMMAKRLHNSF-UHFFFAOYSA-N 0 0 335.363 4.215 50 30 EIEARN CC(C)(C)c1ccc(Cn2ccc(-c3ccco3)c(C#N)c2=O)cc1 ZINC000001403944 209740809 /nfs/dbraw/zinc/74/08/09/209740809.db2.gz WUIFUEMKLDXUEJ-UHFFFAOYSA-N 0 0 332.403 4.326 50 30 EIEARN C#CCN1C(=O)S/C(=C/c2ccc(O[C@@H](C)CC)c(Cl)c2)C1=O ZINC000001144543 209713305 /nfs/dbraw/zinc/71/33/05/209713305.db2.gz LYVASCSQWNQTFS-KBVGCWLLSA-N 0 0 349.839 4.187 50 30 EIEARN C=CCn1c(SCC(=C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000000506959 209639034 /nfs/dbraw/zinc/63/90/34/209639034.db2.gz NGWPVZJJTRKQPB-LBPRGKRZSA-N 0 0 346.521 4.437 50 30 EIEARN Cn1c2ccccc2n2c3c4ccc(F)cc4sc3c(=O)c(C#N)c12 ZINC000000495675 209635847 /nfs/dbraw/zinc/63/58/47/209635847.db2.gz BQYSGMRAOQEIDO-UHFFFAOYSA-N 0 0 347.374 4.170 50 30 EIEARN C=C(C)Cn1c(SC)nc2c(c1=O)C(C)(C)Cc1ccccc1-2 ZINC000000495487 209635051 /nfs/dbraw/zinc/63/50/51/209635051.db2.gz LVARJUMTNWGDQR-UHFFFAOYSA-N 0 0 326.465 4.042 50 30 EIEARN C=CCNC(=O)c1cc2sc(C)cc2n1Cc1ccc(F)cc1 ZINC000037526599 213154531 /nfs/dbraw/zinc/15/45/31/213154531.db2.gz RXOCBFMOWYJIRU-UHFFFAOYSA-N 0 0 328.412 4.114 50 30 EIEARN Cc1cccc(-c2nc(CC(=O)OCc3cccc(C#N)c3)cs2)c1 ZINC000036800263 213119799 /nfs/dbraw/zinc/11/97/99/213119799.db2.gz UEKSKTDYSCNYDO-UHFFFAOYSA-N 0 0 348.427 4.276 50 30 EIEARN C[C@@H](Nc1oc(-c2ccccc2[N+](=O)[O-])nc1C#N)c1ccccc1 ZINC000035672456 213045365 /nfs/dbraw/zinc/04/53/65/213045365.db2.gz ZTXPTGUAZDCKIR-GFCCVEGCSA-N 0 0 334.335 4.295 50 30 EIEARN COP(=O)(OC)C(C)(C)CC(C)N=Nc1ccc([N+](=O)[O-])cc1 ZINC000035146948 213010342 /nfs/dbraw/zinc/01/03/42/213010342.db2.gz NMBLYNWECVNCBQ-RVDMUPIBSA-N 0 0 343.320 4.037 50 30 EIEARN C[C@H]1CCC[C@H](CCC#N)C1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000034871745 212993722 /nfs/dbraw/zinc/99/37/22/212993722.db2.gz NPFNXRULYWTWIR-KCGNGEHDSA-N 0 0 345.359 4.011 50 30 EIEARN COc1ccc(Br)cc1/C=C1/COc2ccccc2C1=O ZINC000033779624 212963292 /nfs/dbraw/zinc/96/32/92/212963292.db2.gz QZLSQVZMZFMPME-WQLSENKSSA-N 0 0 345.192 4.116 50 30 EIEARN CN1c2ccccc2C(C)(C)/C1=C\C=C1\C(=O)Oc2ccccc2C1=O ZINC000033306282 212920225 /nfs/dbraw/zinc/92/02/25/212920225.db2.gz YLLQGZRQSRCGJQ-CAOIWOLBSA-N 0 0 345.398 4.026 50 30 EIEARN CC[C@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000032904670 212865759 /nfs/dbraw/zinc/86/57/59/212865759.db2.gz OUJHAKIEUGJHBL-SFHVURJKSA-N 0 0 345.364 4.367 50 30 EIEARN CC(=O)Nc1sc(N=NCc2ccccc2)nc1-c1cccs1 ZINC000031906030 212756676 /nfs/dbraw/zinc/75/66/76/212756676.db2.gz TWVZIGRMMWBHBP-YVLHZVERSA-N 0 0 342.449 4.276 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1 ZINC000000066746 209398403 /nfs/dbraw/zinc/39/84/03/209398403.db2.gz UOGLSKXPKAPSBV-TZIWHRDSSA-N 0 0 334.415 4.314 50 30 EIEARN Cc1cc(-c2cccc([N+](=O)[O-])c2)oc1C(=O)Nc1ccccc1C#N ZINC000028048567 212597761 /nfs/dbraw/zinc/59/77/61/212597761.db2.gz MCAOJCNBEGQLGD-UHFFFAOYSA-N 0 0 347.330 4.287 50 30 EIEARN C=CCN1C(=O)c2ccccc2N[C@H]1c1ccccc1Br ZINC000024034380 212404908 /nfs/dbraw/zinc/40/49/08/212404908.db2.gz LKBUORUCMHRTDU-MRXNPFEDSA-N 0 0 343.224 4.202 50 30 EIEARN CCc1ccc2ncc(C#N)c(Nc3cc(OC)ccc3OC)c2c1 ZINC000023119217 212349324 /nfs/dbraw/zinc/34/93/24/212349324.db2.gz KHBBBPFKDGBXGG-UHFFFAOYSA-N 0 0 333.391 4.430 50 30 EIEARN N#C[C@H]1CCC[C@H](Nc2ccc(Cc3nnc4n3CCCCC4)cc2)C1 ZINC000193294269 240095488 /nfs/dbraw/zinc/09/54/88/240095488.db2.gz HDLXAUZJGRIGNZ-HKUYNNGSSA-N 0 0 349.482 4.090 50 30 EIEARN N#Cc1c(=O)[nH]c(=S)[nH]c1-c1c2ccccc2cc2ccccc21 ZINC000022135368 212279717 /nfs/dbraw/zinc/27/97/17/212279717.db2.gz ZTXHREGLQUYDIY-UHFFFAOYSA-N 0 0 329.384 4.278 50 30 EIEARN N#Cc1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1 ZINC000022021075 212270922 /nfs/dbraw/zinc/27/09/22/212270922.db2.gz XZJGHPRMTQEAMU-UHFFFAOYSA-N 0 0 334.375 4.242 50 30 EIEARN Cc1ccc(-n2c(Nc3cccc(C#N)c3)c3[nH]cccc-3c2=O)cc1 ZINC000021107888 212208892 /nfs/dbraw/zinc/20/88/92/212208892.db2.gz KFJYFBSOYAQUOX-HXUWFJFHSA-N 0 0 340.386 4.033 50 30 EIEARN CC(C)OCCCNc1nc(-c2ccco2)c2c(c1C#N)CCCC2 ZINC000020573779 212148907 /nfs/dbraw/zinc/14/89/07/212148907.db2.gz LAWLYQSYHDDYAF-UHFFFAOYSA-N 0 0 339.439 4.319 50 30 EIEARN CN(C)/C=N/c1ncc(C(=O)c2ccc(-c3ccccc3)cc2)s1 ZINC000020367882 212123413 /nfs/dbraw/zinc/12/34/13/212123413.db2.gz WBYAGANGSPTMEJ-FYJGNVAPSA-N 0 0 335.432 4.263 50 30 EIEARN CCCc1nc(N)c(C#N)c(-c2cc([N+](=O)[O-])ccc2Cl)c1CC ZINC000020330052 212119240 /nfs/dbraw/zinc/11/92/40/212119240.db2.gz PIZGOEGKQOBQLB-UHFFFAOYSA-N 0 0 344.802 4.279 50 30 EIEARN Oc1ccc(CN=Nc2ccc3ccccc3n2)cc1Br ZINC000020110793 212102375 /nfs/dbraw/zinc/10/23/75/212102375.db2.gz VEFGVDRHKMWGGT-VCHYOVAHSA-N 0 0 342.196 4.149 50 30 EIEARN CCCCc1nc(NCc2ccco2)c(C#N)c2c1COC(C)(C)C2 ZINC000020113582 212102830 /nfs/dbraw/zinc/10/28/30/212102830.db2.gz WCNBGTOIVPBMBR-UHFFFAOYSA-N 0 0 339.439 4.352 50 30 biogenic EIEARN N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccccc1 ZINC000019880083 212079066 /nfs/dbraw/zinc/07/90/66/212079066.db2.gz NZIFKJRRLPVDQE-UHFFFAOYSA-N 0 0 342.427 4.366 50 30 EIEARN O=C(CN1CCCC1)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000049640500 214023926 /nfs/dbraw/zinc/02/39/26/214023926.db2.gz WNJPUAWKJLRXLJ-UHFFFAOYSA-N 0 0 335.860 4.071 50 30 EIEARN C=CCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1ccccc1 ZINC000016890323 211937925 /nfs/dbraw/zinc/93/79/25/211937925.db2.gz HRFKHYJTDPABSV-UHFFFAOYSA-N 0 0 347.443 4.356 50 30 EIEARN O=C1C=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)CCC1 ZINC000080325298 217297958 /nfs/dbraw/zinc/29/79/58/217297958.db2.gz DKCBQCWNDPKETA-FQEVSTJZSA-N 0 0 332.403 4.180 50 30 EIEARN COc1ccc(-c2c(C)sc(NC(=O)c3ccncc3)c2C#N)cc1 ZINC000013328110 211547284 /nfs/dbraw/zinc/54/72/84/211547284.db2.gz PQSACSVWYMACRP-UHFFFAOYSA-N 0 0 349.415 4.251 50 30 EIEARN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccc2ccccc2c1 ZINC000012926539 211485244 /nfs/dbraw/zinc/48/52/44/211485244.db2.gz KOAQSSKRLBZIDX-HZPDHXFCSA-N 0 0 344.414 4.356 50 30 EIEARN N#Cc1c(NC(=O)CNc2cccc(F)c2)sc2c1CCCCC2 ZINC000012746892 211444011 /nfs/dbraw/zinc/44/40/11/211444011.db2.gz GIYVIOCFHGLMGH-UHFFFAOYSA-N 0 0 343.427 4.078 50 30 EIEARN C=CCN1C(=O)c2ccccc2N[C@H]1c1ccccc1OC(F)(F)F ZINC000012517098 211396057 /nfs/dbraw/zinc/39/60/57/211396057.db2.gz VYVAJTIMUKOESJ-MRXNPFEDSA-N 0 0 348.324 4.338 50 30 EIEARN CCOc1ccc(/C=N/N(CC)c2cc(C)c(C#N)c(Cl)n2)cc1 ZINC000012411817 211371578 /nfs/dbraw/zinc/37/15/78/211371578.db2.gz VVRQVGWGWXROLQ-CIAFOILYSA-N 0 0 342.830 4.174 50 30 EIEARN CC(C)(C)OC(=O)N1CCC[C@](C=O)(Cc2ccc(Cl)cc2)C1 ZINC000012336541 211351255 /nfs/dbraw/zinc/35/12/55/211351255.db2.gz UONHSCPAZDKZHV-SFHVURJKSA-N 0 0 337.847 4.099 50 30 EIEARN COc1ccccc1-c1ccc(C#N)c(SCc2ccncc2)n1 ZINC000012371793 211358154 /nfs/dbraw/zinc/35/81/54/211358154.db2.gz NCQKHQBESWMSES-UHFFFAOYSA-N 0 0 333.416 4.316 50 30 EIEARN C/C(=N/OC(=O)c1ccc(Cl)cc1Cl)c1oc(C)nc1C ZINC000012368896 211357652 /nfs/dbraw/zinc/35/76/52/211357652.db2.gz ZFLRCALUJAWAEU-LSCVHKIXSA-N 0 0 327.167 4.179 50 30 EIEARN C=CCNc1nnc(SCc2cccc(C(F)(F)F)c2)s1 ZINC000011527423 211221706 /nfs/dbraw/zinc/22/17/06/211221706.db2.gz NUEWOMXOQRLGHN-UHFFFAOYSA-N 0 0 331.388 4.447 50 30 EIEARN C=C(C)CN(CC)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000009691812 211116083 /nfs/dbraw/zinc/11/60/83/211116083.db2.gz IIRIFOPFJFJZQE-UHFFFAOYSA-N 0 0 328.437 4.039 50 30 EIEARN CC(C)Cn1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O ZINC000008230090 210915602 /nfs/dbraw/zinc/91/56/02/210915602.db2.gz WXADZXCXWDKPIQ-UHFFFAOYSA-N 0 0 349.459 4.216 50 30 EIEARN C=C(C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000007425131 210799949 /nfs/dbraw/zinc/79/99/49/210799949.db2.gz VXCZERYSAKCYDV-QGZVFWFLSA-N 0 0 345.446 4.441 50 30 EIEARN C=CCSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1C ZINC000007236033 210772789 /nfs/dbraw/zinc/77/27/89/210772789.db2.gz UWQKFUXJCZLWBS-UHFFFAOYSA-N 0 0 332.425 4.079 50 30 EIEARN CCCC1CC(=O)C(=CNc2ccc(Br)cc2)C(=O)C1 ZINC000006509627 210644208 /nfs/dbraw/zinc/64/42/08/210644208.db2.gz UKOQIOSELWJXOL-UHFFFAOYSA-N 0 0 336.229 4.093 50 30 EIEARN N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N1CCc2ccccc2C1 ZINC000096346559 218745546 /nfs/dbraw/zinc/74/55/46/218745546.db2.gz ZTYGTXDCIQUHKX-MOPGFXCFSA-N 0 0 341.414 4.380 50 30 EIEARN C=C(C)COc1ccc(-c2nc(N)ncc2-c2ccccc2)c(O)c1 ZINC000005577239 210493079 /nfs/dbraw/zinc/49/30/79/210493079.db2.gz HTUAWWXXTIRIJE-UHFFFAOYSA-N 0 0 333.391 4.053 50 30 EIEARN CCOc1ccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000005335611 210441776 /nfs/dbraw/zinc/44/17/76/210441776.db2.gz BBKAMJFZIRRQEK-VGOFMYFVSA-N 0 0 335.403 4.108 50 30 EIEARN N#Cc1ccc(COc2cccc(C(=O)NCc3ccccc3)c2)cc1 ZINC000005089986 210388937 /nfs/dbraw/zinc/38/89/37/210388937.db2.gz CVPTVQHGNRINJD-UHFFFAOYSA-N 0 0 342.398 4.067 50 30 EIEARN c1coc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 ZINC000004989709 210350606 /nfs/dbraw/zinc/35/06/06/210350606.db2.gz AYCFUROXFANGDG-KGENOOAVSA-N 0 0 341.374 4.245 50 30 EIEARN CCN(CC)c1ccc(/C=C/C(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000004982491 210348062 /nfs/dbraw/zinc/34/80/62/210348062.db2.gz ONUKCIRBTIOCHE-OVCLIPMQSA-N 0 0 336.435 4.387 50 30 EIEARN COc1ccccc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000000035641 208553213 /nfs/dbraw/zinc/55/32/13/208553213.db2.gz TZGRUOVKSLGAAU-NSHDSACASA-N 0 0 326.421 4.005 50 30 EIEARN C=CC(=O)N[C@@H](CC)c1noc(-c2cccc(Br)c2)n1 ZINC000328600331 258041713 /nfs/dbraw/zinc/04/17/13/258041713.db2.gz WYOBKTARHKOTQZ-NSHDSACASA-N 0 0 336.189 4.093 50 30 EIEARN C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cccnc1 ZINC000006731384 258044360 /nfs/dbraw/zinc/04/43/60/258044360.db2.gz YHWSWNMKECQDQO-UHFFFAOYSA-N 0 0 342.855 4.472 50 30 EIEARN C=CCSc1nc2ccccc2n1Cc1nnc(-c2ccccc2)o1 ZINC000006665634 258044870 /nfs/dbraw/zinc/04/48/70/258044870.db2.gz HEBAEYHUXTUCHQ-UHFFFAOYSA-N 0 0 348.431 4.413 50 30 EIEARN CC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253497552 257999000 /nfs/dbraw/zinc/99/90/00/257999000.db2.gz DJPZSBANTAQNFN-COXXTLHVSA-N 0 0 330.468 4.450 50 30 EIEARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cnc(C)s1 ZINC000330031940 258002813 /nfs/dbraw/zinc/00/28/13/258002813.db2.gz GKXUJMHOXOXEOX-HNNXBMFYSA-N 0 0 342.424 4.109 50 30 EIEARN C#CCn1c2ccccc2nc1SCCOc1ccc(C)c(C)c1 ZINC000012062313 258017859 /nfs/dbraw/zinc/01/78/59/258017859.db2.gz MGQDJQISMYCBMJ-UHFFFAOYSA-N 0 0 336.460 4.457 50 30 EIEARN N#CCCCCCCC(=O)c1ccc(I)cc1 ZINC000002392826 258049345 /nfs/dbraw/zinc/04/93/45/258049345.db2.gz BWBAVCUYDQLOGZ-UHFFFAOYSA-N 0 0 341.192 4.338 50 30 EIEARN Cc1cc(Cl)ccc1OCCCC(=O)Oc1ccc(C#N)cc1 ZINC000003354024 258050605 /nfs/dbraw/zinc/05/06/05/258050605.db2.gz YFXSCAWFXONRBD-UHFFFAOYSA-N 0 0 329.783 4.285 50 30 EIEARN O=C(/C=C/c1ccc(/C=C\C(=O)c2ccncc2)cc1)c1ccncc1 ZINC000019879530 258056982 /nfs/dbraw/zinc/05/69/82/258056982.db2.gz WFGSKWSVYDCQLB-CGXWXWIYSA-N 0 0 340.382 4.269 50 30 EIEARN CCc1nc(C#N)c(N=NCc2cccc(Oc3ccccc3)c2)o1 ZINC000028467641 258057958 /nfs/dbraw/zinc/05/79/58/258057958.db2.gz CYPBEOKNYRJLEU-FYJGNVAPSA-N 0 0 332.363 4.347 50 30 EIEARN Clc1ccc(/C=N\N2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000015685223 135708070 /nfs/dbraw/zinc/70/80/70/135708070.db2.gz BXEDFOONJQVRBD-MOSHPQCFSA-N 0 0 334.250 4.150 50 30 EIEARN Cc1noc(C2CC2)c1NC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000122258923 222047904 /nfs/dbraw/zinc/04/79/04/222047904.db2.gz RVLCPEJQEXJRPT-UHFFFAOYSA-N 0 0 340.383 4.163 50 30 EIEARN C=C(C)COc1ccccc1/C=C1\N=C(c2cccc(F)c2)OC1=O ZINC000000276855 518621560 /nfs/dbraw/zinc/62/15/60/518621560.db2.gz GVCQVBXNUIYHTO-BOPFTXTBSA-N 0 0 337.350 4.125 50 30 EIEARN C=CCCC(=O)NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 ZINC000011841188 518693777 /nfs/dbraw/zinc/69/37/77/518693777.db2.gz IKWPMUQKRPONQG-OAHLLOKOSA-N 0 0 347.867 4.454 50 30 EIEARN C=CCNc1oc(-c2ccc(COc3cccc(C)c3)o2)nc1C#N ZINC000012419015 518967281 /nfs/dbraw/zinc/96/72/81/518967281.db2.gz PYUZDDJQQHRPHX-UHFFFAOYSA-N 0 0 335.363 4.292 50 30 EIEARN C=CCOc1cccc(CN(CC)C(=O)c2ccc(C(C)=O)cc2)c1 ZINC000055131877 519053674 /nfs/dbraw/zinc/05/36/74/519053674.db2.gz CLXVVZDKNDBSJD-UHFFFAOYSA-N 0 0 337.419 4.116 50 30 EIEARN C=CCc1c(C)nc(-c2ccccc2)nc1N=NCc1ccncc1 ZINC000004154652 519121377 /nfs/dbraw/zinc/12/13/77/519121377.db2.gz JJRKCJKZOGFYPI-HYARGMPZSA-N 0 0 329.407 4.022 50 30 EIEARN CCCOc1c(/C=C/C(=O)c2cccc(O)c2)cccc1OCC ZINC000008322466 520290875 /nfs/dbraw/zinc/29/08/75/520290875.db2.gz BTULCBXWLJXQSX-VAWYXSNFSA-N 0 0 326.392 4.476 50 30 EIEARN CCOc1ccc(NC(=NC#N)SCc2cccc(F)c2)cc1 ZINC000013563117 521030572 /nfs/dbraw/zinc/03/05/72/521030572.db2.gz ZJLSXYHDMJKUNR-UHFFFAOYSA-N 0 0 329.400 4.407 50 30 EIEARN CCOc1ccccc1/C=C\C(=O)c1cccc(N2CCCC2=O)c1 ZINC000096920226 521447770 /nfs/dbraw/zinc/44/77/70/521447770.db2.gz ADAXROBBXQOPKW-SEYXRHQNSA-N 0 0 335.403 4.108 50 30 EIEARN CC[C@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1 ZINC000328592484 522831014 /nfs/dbraw/zinc/83/10/14/522831014.db2.gz WXBQBRZXRCWJNT-INIZCTEOSA-N 0 0 331.799 4.493 50 30 EIEARN COc1ccccc1C(=O)O/N=C/c1c(Cl)n(C)c2ccccc12 ZINC000004051497 524361271 /nfs/dbraw/zinc/36/12/71/524361271.db2.gz KJFJYIXBUSYILO-RGVLZGJSSA-N 0 0 342.782 4.031 50 30 EIEARN C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCCOCC3)c2)C1 ZINC000328587094 524412122 /nfs/dbraw/zinc/41/21/22/524412122.db2.gz XWWWHNFRJRSFPS-APWZRJJASA-N 0 0 346.471 4.050 50 30 EIEARN Cc1cccc(OCCC(=O)[C@@H](C#N)c2nc3ccccc3s2)c1 ZINC000002624751 524730311 /nfs/dbraw/zinc/73/03/11/524730311.db2.gz RBVWOASMJWUJLC-OAHLLOKOSA-N 0 0 336.416 4.250 50 30 EIEARN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)[C@H](C#N)c1ccccn1 ZINC000049458306 525943731 /nfs/dbraw/zinc/94/37/31/525943731.db2.gz MZOULNMRDHBRFX-GHMZBOCLSA-N 0 0 335.190 4.032 50 30 EIEARN C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ccccn1 ZINC000095953361 526218562 /nfs/dbraw/zinc/21/85/62/526218562.db2.gz PKBQIFMQHBZINI-CYBMUJFWSA-N 0 0 343.477 4.207 50 30 EIEARN N#CCCN(C(=O)[C@@H]1CCC(F)(F)C1)C12CC3CC(CC(C3)C1)C2 ZINC000239782570 526451882 /nfs/dbraw/zinc/45/18/82/526451882.db2.gz CPHFVYZFCJCFEY-QFQXCOSMSA-N 0 0 336.426 4.133 50 30 EIEARN N#CCCN1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000022914380 526459766 /nfs/dbraw/zinc/45/97/66/526459766.db2.gz KDZLEIYEQBVHSS-UHFFFAOYSA-N 0 0 345.899 4.100 50 30 EIEARN Cc1nc(/C=C/c2cccnc2)sc1C(=O)/C=C/c1cccnc1 ZINC000069455456 526627536 /nfs/dbraw/zinc/62/75/36/526627536.db2.gz MYBKPNMOUQHJIQ-CDJQDVQCSA-N 0 0 333.416 4.308 50 30 EIEARN N=C(NOC(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl ZINC000004978611 526809619 /nfs/dbraw/zinc/80/96/19/526809619.db2.gz COCUUWYJERKDDA-UHFFFAOYSA-N 0 0 343.597 4.124 50 30 EIEARN COc1ccc(C(=O)C(C#N)=NNc2cccc(Cl)c2Cl)cc1 ZINC000000138996 563241440 /nfs/dbraw/zinc/24/14/40/563241440.db2.gz ZBJYXCPBNHNAID-KGENOOAVSA-N 0 0 348.189 4.176 50 30 EIEARN Cc1ccc(/C(=N/OC(=O)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000000173656 563252314 /nfs/dbraw/zinc/25/23/14/563252314.db2.gz VMRAQOAZQKSXAN-HTXNQAPBSA-N 0 0 326.352 4.120 50 30 EIEARN CN(C)c1ccc(-n2cccc2C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000000378494 563299410 /nfs/dbraw/zinc/29/94/10/563299410.db2.gz OBUKGMUYFKQTCN-UHFFFAOYSA-N 0 0 342.398 4.006 50 30 EIEARN CC(=O)Oc1ccc(C(=O)Nc2ccc(C3(C#N)CCCC3)cc2)cc1 ZINC000000468023 563329437 /nfs/dbraw/zinc/32/94/37/563329437.db2.gz IKCMFGMONRUGMI-UHFFFAOYSA-N 0 0 348.402 4.200 50 30 EIEARN Cc1ccc(N2CCN(/N=C\C(Cl)=C\c3ccccc3)CC2)cc1 ZINC000005009176 563518571 /nfs/dbraw/zinc/51/85/71/563518571.db2.gz KEVIBRDTBLUSJN-DRCXVQOOSA-N 0 0 339.870 4.383 50 30 EIEARN CC1(C)S/C(=N\N=C\c2c3ccccc3cc3ccccc32)NC1=O ZINC000005464693 563533600 /nfs/dbraw/zinc/53/36/00/563533600.db2.gz MGMGMOCEFBJHNV-CIAFOILYSA-N 0 0 347.443 4.325 50 30 EIEARN Cc1cc(C(=O)Nc2ccc(CC#N)cc2)c(C)n1Cc1ccco1 ZINC000012803841 563674101 /nfs/dbraw/zinc/67/41/01/563674101.db2.gz TZCMPCQIMODUDM-UHFFFAOYSA-N 0 0 333.391 4.065 50 30 EIEARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc2c1-c1ccccc1/C2=N\O ZINC000013118425 563688419 /nfs/dbraw/zinc/68/84/19/563688419.db2.gz RWNPHXLIAIBUGH-AMLAACBPSA-N 0 0 334.419 4.297 50 30 EIEARN C=C(Cl)CSc1nnc(Nc2cccc(NC(C)=O)c2)s1 ZINC000032778998 563734228 /nfs/dbraw/zinc/73/42/28/563734228.db2.gz GDCYVUQRDMIFQU-UHFFFAOYSA-N 0 0 340.861 4.085 50 30 EIEARN C=CCNc1nc(-c2ccccn2)nc(-c2ccc(Cl)cc2)c1C#N ZINC000003029402 563756754 /nfs/dbraw/zinc/75/67/54/563756754.db2.gz NWPRELLNEPFPJP-UHFFFAOYSA-N 0 0 347.809 4.329 50 30 EIEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1cccc(O)c1Cl ZINC000015016136 563772509 /nfs/dbraw/zinc/77/25/09/563772509.db2.gz UKDTZJPLUAOWEB-JYRVWZFOSA-N 0 0 348.786 4.076 50 30 EIEARN N#Cc1cccc(NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 ZINC000032901339 563786818 /nfs/dbraw/zinc/78/68/18/563786818.db2.gz PEHFOTYBRRVCHM-UHFFFAOYSA-N 0 0 344.296 4.239 50 30 EIEARN CCOc1ccc(-c2nnc(NC(=O)c3cccs3)s2)cc1 ZINC000017113055 563836865 /nfs/dbraw/zinc/83/68/65/563836865.db2.gz JQYSWKKECSPNNV-UHFFFAOYSA-N 0 0 331.422 4.302 50 30 EIEARN COC(=O)c1ccc(/C=C2\CCc3[nH]c4ccc(F)cc4c3C2=O)cc1 ZINC000026433468 563891913 /nfs/dbraw/zinc/89/19/13/563891913.db2.gz SVIRSCJMNDZOFK-GXDHUFHOSA-N 0 0 349.361 4.306 50 30 EIEARN C=C(Cl)CNC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000072290930 563909049 /nfs/dbraw/zinc/90/90/49/563909049.db2.gz JWLBTSWKOKYFFT-UHFFFAOYSA-N 0 0 343.814 4.121 50 30 EIEARN CCCCCCCCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C ZINC000032787508 563914309 /nfs/dbraw/zinc/91/43/09/563914309.db2.gz FUJLYHJROOYKRA-KRWDZBQOSA-O 0 0 344.516 4.000 50 30 in-vitro EIEARN Cc1ccccc1NC(=O)CSc1nc(-c2ccco2)ccc1C#N ZINC000033011062 563925035 /nfs/dbraw/zinc/92/50/35/563925035.db2.gz XXYSJUYNSDAGTM-UHFFFAOYSA-N 0 0 349.415 4.253 50 30 EIEARN CCCCc1nc(N2CCC(C)CC2)c(C#N)c2c1COC(C)(C)C2 ZINC000013764349 563932809 /nfs/dbraw/zinc/93/28/09/563932809.db2.gz FHXOYNAJGUONGK-UHFFFAOYSA-N 0 0 341.499 4.383 50 30 EIEARN COc1cc(-c2nc3ccccn3c2/N=C/c2ccccc2)ccc1O ZINC000096803780 563962626 /nfs/dbraw/zinc/96/26/26/563962626.db2.gz JUJURNIXPKGFSS-HYARGMPZSA-N 0 0 343.386 4.466 50 30 EIEARN CC(C)c1cc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)no1 ZINC000097101938 563967705 /nfs/dbraw/zinc/96/77/05/563967705.db2.gz WZOWCKLBTUAITQ-UHFFFAOYSA-N 0 0 341.455 4.123 50 30 EIEARN CCOC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccc(Cl)cc1 ZINC000000164281 563987477 /nfs/dbraw/zinc/98/74/77/563987477.db2.gz NPAWEFBSTWSMNE-UHFFFAOYSA-N 0 0 332.812 4.421 50 30 EIEARN O=S(=O)(/N=C/c1c(O)ccc2ccccc12)c1ccc(Cl)cc1 ZINC000000197365 563988279 /nfs/dbraw/zinc/98/82/79/563988279.db2.gz ADSTUSPWWHPJQL-YBFXNURJSA-N 0 0 345.807 4.007 50 30 EIEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000000252253 563989526 /nfs/dbraw/zinc/98/95/26/563989526.db2.gz ISCBKNIWSFQOJT-KRWDZBQOSA-N 0 0 345.446 4.360 50 30 EIEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2cc(Cl)ccc2C)n1 ZINC000000303455 563990857 /nfs/dbraw/zinc/99/08/57/563990857.db2.gz MSXBDDDTQHJCKD-UHFFFAOYSA-N 0 0 345.855 4.263 50 30 EIEARN CCCOC(=NC(=O)c1ccc(C)cc1)NCCCc1ccccc1 ZINC000004910377 563992401 /nfs/dbraw/zinc/99/24/01/563992401.db2.gz AUZCRAOFRLFJBX-UHFFFAOYSA-N 0 0 338.451 4.140 50 30 EIEARN CCc1ccc(-c2ncnn2-c2sc3c(c2C#N)CCCC3)cc1 ZINC000000431650 563999467 /nfs/dbraw/zinc/99/94/67/563999467.db2.gz BGJBIAHMQAAFQN-UHFFFAOYSA-N 0 0 334.448 4.309 50 30 EIEARN C=CCN1C(=O)/C(=C\c2cccc(C(F)(F)F)c2)SC1=S ZINC000005171775 563999872 /nfs/dbraw/zinc/99/98/72/563999872.db2.gz QGUHVPVYPWWBKH-DHZHZOJOSA-N 0 0 329.368 4.093 50 30 EIEARN COc1ccccc1/C=C1\S/C(=N\c2cc(C)cc(C)c2)NC1=O ZINC000005186559 564000205 /nfs/dbraw/zinc/00/02/05/564000205.db2.gz AXBLIHPWMYQAIM-BOPFTXTBSA-N 0 0 338.432 4.204 50 30 EIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1ccco1 ZINC000005218760 564001144 /nfs/dbraw/zinc/00/11/44/564001144.db2.gz GIRBTEVJWOVORI-YBEGLDIGSA-N 0 0 338.340 4.177 50 30 EIEARN N#Cc1ccccc1Cn1cnc2scc(-c3ccccc3)c2c1=O ZINC000005556148 564005317 /nfs/dbraw/zinc/00/53/17/564005317.db2.gz KFOMKPPHNGCRSQ-UHFFFAOYSA-N 0 0 343.411 4.045 50 30 EIEARN Oc1ccc2cc(Br)ccc2c1/C=N/c1ccccn1 ZINC000000499687 564018450 /nfs/dbraw/zinc/01/84/50/564018450.db2.gz ZXHHGVBRGLSSQR-VXLYETTFSA-N 0 0 327.181 4.454 50 30 EIEARN C=C(C)CSc1nnc2c3c4c(sc3nc(SC)n12)CCC4 ZINC000000501725 564019074 /nfs/dbraw/zinc/01/90/74/564019074.db2.gz IVEPWZJBGPFXQZ-UHFFFAOYSA-N 0 0 348.522 4.218 50 30 EIEARN C=C(C)CSc1nnc2c3c4c(sc3ncn12)C[C@@H](C)CC4 ZINC000000506339 564019521 /nfs/dbraw/zinc/01/95/21/564019521.db2.gz RLQMUYIMVYBXMT-JTQLQIEISA-N 0 0 330.482 4.132 50 30 EIEARN COc1ccc2c(c1)CCC/C2=N\OC(=O)c1ccccc1SC ZINC000102454768 564020048 /nfs/dbraw/zinc/02/00/48/564020048.db2.gz DQZDSJKCUQRUGE-LVZFUZTISA-N 0 0 341.432 4.315 50 30 EIEARN Oc1ccccc1/C=N\[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000103758394 564023128 /nfs/dbraw/zinc/02/31/28/564023128.db2.gz VCNCKAQNALJQDO-OKIKLVOASA-N 0 0 331.371 4.329 50 30 EIEARN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000106856495 564026702 /nfs/dbraw/zinc/02/67/02/564026702.db2.gz DHUHGLGMFTXGFN-RDBSUJKOSA-N 0 0 349.525 4.296 50 30 EIEARN COc1ccc(C(=O)C=CNc2cccc(SC)c2)cc1OC ZINC000044843587 564027444 /nfs/dbraw/zinc/02/74/44/564027444.db2.gz LWWGZLNZPVOGBM-MDZDMXLPSA-N 0 0 329.421 4.234 50 30 EIEARN N#Cc1ccc(-c2ccc(OCc3nc(-c4ccco4)no3)cc2)cc1 ZINC000048275750 564030618 /nfs/dbraw/zinc/03/06/18/564030618.db2.gz AYXIBLGRHQXGKM-UHFFFAOYSA-N 0 0 343.342 4.447 50 30 EIEARN N#Cc1cccc(CNC(=O)Nc2cccc(Oc3ccncc3)c2)c1 ZINC000112211972 564031938 /nfs/dbraw/zinc/03/19/38/564031938.db2.gz DEXQEJUKSNJCNS-UHFFFAOYSA-N 0 0 344.374 4.067 50 30 EIEARN N#CC1(c2nc(-c3cccc(Oc4ccccc4)c3)no2)CCOCC1 ZINC000115179547 564033053 /nfs/dbraw/zinc/03/30/53/564033053.db2.gz YUDIGUHHRTZGRG-UHFFFAOYSA-N 0 0 347.374 4.101 50 30 EIEARN Cn1c(SCc2ccc(C#N)cc2)nnc1-c1ccccc1Cl ZINC000001049301 564054228 /nfs/dbraw/zinc/05/42/28/564054228.db2.gz QCTBLJAGVFUDMD-UHFFFAOYSA-N 0 0 340.839 4.299 50 30 EIEARN O=C(Cc1ccc(Cl)cc1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000012528370 564058195 /nfs/dbraw/zinc/05/81/95/564058195.db2.gz VFQVMYUCQHFFES-UHFFFAOYSA-N 0 0 346.817 4.316 50 30 EIEARN CSc1cc(-c2ccccc2)n(Cc2cccc(C)c2)c(=O)c1C#N ZINC000001388950 564063966 /nfs/dbraw/zinc/06/39/66/564063966.db2.gz JTKINSZHNVFNHF-UHFFFAOYSA-N 0 0 346.455 4.466 50 30 EIEARN Cc1c(C)c(C)c(C(=O)OCCOc2ccc(C#N)cc2)c(C)c1C ZINC000015554455 564068075 /nfs/dbraw/zinc/06/80/75/564068075.db2.gz ODVCTNBVRGYYEQ-UHFFFAOYSA-N 0 0 337.419 4.336 50 30 EIEARN C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1N1CCCCC1 ZINC000007636230 564070851 /nfs/dbraw/zinc/07/08/51/564070851.db2.gz INWLCCYFHBHOMA-UHFFFAOYSA-N 0 0 332.451 4.424 50 30 EIEARN Cc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1 ZINC000006046496 564072610 /nfs/dbraw/zinc/07/26/10/564072610.db2.gz YYNWKRKHOLQTTK-QGZVFWFLSA-N 0 0 340.810 4.159 50 30 EIEARN C#CCOc1ccc(/C=C2/SC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000006077347 564073531 /nfs/dbraw/zinc/07/35/31/564073531.db2.gz BPZKBJUBZUELRV-QGOAFFKASA-N 0 0 349.411 4.248 50 30 EIEARN C=CCOc1ccc(-c2nn3c(nnc3-c3cccc(C)c3)s2)cc1 ZINC000013945104 564074035 /nfs/dbraw/zinc/07/40/35/564074035.db2.gz CTEACBQFUMRSGG-UHFFFAOYSA-N 0 0 348.431 4.393 50 30 EIEARN C=CCn1c(SCc2cccc(OC)c2)nnc1-c1ccccc1 ZINC000014067662 564074084 /nfs/dbraw/zinc/07/40/84/564074084.db2.gz QESOUWDPXAQHIY-UHFFFAOYSA-N 0 0 337.448 4.432 50 30 EIEARN C=CCC(CC=C)(NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000000125520 564074517 /nfs/dbraw/zinc/07/45/17/564074517.db2.gz LGZOGZXICJCFKN-UHFFFAOYSA-N 0 0 336.391 4.372 50 30 EIEARN C=C(C)CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccco1 ZINC000000531540 564074597 /nfs/dbraw/zinc/07/45/97/564074597.db2.gz VKPVLESZJYZGFF-UHFFFAOYSA-N 0 0 346.477 4.384 50 30 EIEARN C#CCN1C(=O)S/C(=C/c2cn([C@H](C)CC)c3ccccc23)C1=O ZINC000001078110 564074656 /nfs/dbraw/zinc/07/46/56/564074656.db2.gz IQMUFKSVNORRFO-VVBXCHJUSA-N 0 0 338.432 4.282 50 30 EIEARN C=CCn1c(SCCCC)nc2sc3c(c2c1=O)CCCC3 ZINC000002230196 564074808 /nfs/dbraw/zinc/07/48/08/564074808.db2.gz CXCVJMSXSSXHSS-UHFFFAOYSA-N 0 0 334.510 4.415 50 30 EIEARN FC(F)(F)C(F)(F)C(F)(F)c1ccc(Br)cn1 ZINC000306145679 564076553 /nfs/dbraw/zinc/07/65/53/564076553.db2.gz NIQMVKARLYHXNN-UHFFFAOYSA-N 0 0 326.009 4.134 50 30 EIEARN C=CCn1c(=O)sc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000015865083 564077174 /nfs/dbraw/zinc/07/71/74/564077174.db2.gz JHQNXTVFZMRTLD-UHFFFAOYSA-N 0 0 344.823 4.155 50 30 EIEARN CCOc1ccc2c(c1)S/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O ZINC000005553391 564078102 /nfs/dbraw/zinc/07/81/02/564078102.db2.gz JSIWAMCNDGLLKV-SXGWCWSVSA-N 0 0 327.361 4.323 50 30 EIEARN N#CCSc1ccccc1NC(=O)CNc1ccc(Cl)cc1 ZINC000012935662 564079248 /nfs/dbraw/zinc/07/92/48/564079248.db2.gz DIDRRMWGQREWKN-UHFFFAOYSA-N 0 0 331.828 4.006 50 30 EIEARN COc1cccc(Nc2nc(-c3ccccc3)nc(SC)c2C#N)c1 ZINC000075278228 564081398 /nfs/dbraw/zinc/08/13/98/564081398.db2.gz GPGKEAQLGLNYLK-UHFFFAOYSA-N 0 0 348.431 4.489 50 30 EIEARN COc1ccc(C(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000012778544 564084593 /nfs/dbraw/zinc/08/45/93/564084593.db2.gz BJDLOUCFDWAXRL-VZUCSPMQSA-N 0 0 326.392 4.387 50 30 EIEARN N#C[C@@]1(c2nc3ccccc3s2)Cc2c(F)cccc2N2CCC[C@@H]21 ZINC000006347147 564085224 /nfs/dbraw/zinc/08/52/24/564085224.db2.gz XRLHFAJLQSUKJX-QUCCMNQESA-N 0 0 349.434 4.422 50 30 EIEARN C=C[C@]1(C)C[C@H](OC)[C@]2(C)[C@@H]3C(=O)CC[C@]3(CC[C@H]2C)[C@H](C)C1=O ZINC000252641552 564086967 /nfs/dbraw/zinc/08/69/67/564086967.db2.gz ZESCDQYMVQFZRC-ZYWYLMGOSA-N 0 0 332.484 4.204 50 30 EIEARN ClC(/C=N\N1CCN(c2ccccc2)CC1)=C\c1ccccc1 ZINC000016450785 564087165 /nfs/dbraw/zinc/08/71/65/564087165.db2.gz RGTKOSWKGIVYRM-PSNBXYPMSA-N 0 0 325.843 4.074 50 30 EIEARN N#Cc1ccc(SCCC(=O)OCc2nc(C3CC3)cs2)cc1 ZINC000091136944 564087389 /nfs/dbraw/zinc/08/73/89/564087389.db2.gz NJDVBIMEBDTIQI-UHFFFAOYSA-N 0 0 344.461 4.118 50 30 EIEARN COc1ccc(/N=C/c2nc(C#N)c(Nc3ccc(OC)cc3)o2)cc1 ZINC000026842287 564089146 /nfs/dbraw/zinc/08/91/46/564089146.db2.gz NJKOUOMGCLPVDE-CIAFOILYSA-N 0 0 348.362 4.058 50 30 EIEARN CCC(=O)c1ccc(OCc2c(C#N)c(C)nn2-c2ccccc2)cc1 ZINC000026910231 564090408 /nfs/dbraw/zinc/09/04/08/564090408.db2.gz DNJBFBNTEYSFBD-UHFFFAOYSA-N 0 0 345.402 4.224 50 30 EIEARN N#CCN(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000054246733 564090938 /nfs/dbraw/zinc/09/09/38/564090938.db2.gz ZQFHUPAIOZMPLF-UHFFFAOYSA-N 0 0 333.218 4.088 50 30 EIEARN CCc1ccc2ncc(C#N)c(Nc3ccc4c(c3)OCCO4)c2c1 ZINC000064438744 564091298 /nfs/dbraw/zinc/09/12/98/564091298.db2.gz KECVJUMBFURAHE-UHFFFAOYSA-N 0 0 331.375 4.184 50 30 EIEARN COc1ccc(OC)c(C=C2SC(=Nc3ccccc3)NC2=O)c1 ZINC000006642000 564094907 /nfs/dbraw/zinc/09/49/07/564094907.db2.gz PKRVZBCYVMQLMA-WJDWOHSUSA-N 0 0 340.404 4.436 50 30 EIEARN C=CCN1CCN(C(=O)Nc2ccc(C)c(Cl)c2)c2cccnc21 ZINC000064929524 564097892 /nfs/dbraw/zinc/09/78/92/564097892.db2.gz ITYXPIRDFQKXKN-UHFFFAOYSA-N 0 0 342.830 4.088 50 30 EIEARN N#Cc1cccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 ZINC000007007102 564103087 /nfs/dbraw/zinc/10/30/87/564103087.db2.gz ICJVRFXKNDQZIL-UHFFFAOYSA-N 0 0 341.342 4.212 50 30 EIEARN O=C1c2ccc(O)cc2CC/C1=C\c1cnc(-c2ccccc2)nc1 ZINC000065488240 564106381 /nfs/dbraw/zinc/10/63/81/564106381.db2.gz LXZJYHNMTLIHKF-LICLKQGHSA-N 0 0 328.371 4.062 50 30 EIEARN N#Cc1cccc(C(=O)OCCOc2c(Cl)cccc2Cl)c1 ZINC000007395750 564107808 /nfs/dbraw/zinc/10/78/08/564107808.db2.gz MVZPCPQIHOPTMZ-UHFFFAOYSA-N 0 0 336.174 4.101 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccc(F)cc1 ZINC000170623390 564110430 /nfs/dbraw/zinc/11/04/30/564110430.db2.gz OQPOQBPNAIRYFW-FUHWJXTLSA-N 0 0 344.407 4.207 50 30 EIEARN Cc1cc(N(C)CCC(F)(F)F)n2c3ccccc3nc2c1C#N ZINC000170626385 564110480 /nfs/dbraw/zinc/11/04/80/564110480.db2.gz SBLUJWMPVYJXTI-UHFFFAOYSA-N 0 0 332.329 4.056 50 30 EIEARN C=CCOc1ccc(/C=C2/SC(N3CCCCCC3)=NC2=O)cc1 ZINC000002072233 564116900 /nfs/dbraw/zinc/11/69/00/564116900.db2.gz QPXRIBDTVILOFE-SAPNQHFASA-N 0 0 342.464 4.098 50 30 EIEARN C[C@H]1CCc2c(C#N)c(N=Cc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000252600554 564121133 /nfs/dbraw/zinc/12/11/33/564121133.db2.gz DSJFAMFVHSOGBH-NSHDSACASA-N 0 0 325.393 4.403 50 30 EIEARN COc1ccc(C=Nc2sc3c(c2C#N)CCCC3)c(OC)c1 ZINC000252619101 564122247 /nfs/dbraw/zinc/12/22/47/564122247.db2.gz LMJRNPHIWOJZGV-UHFFFAOYSA-N 0 0 326.421 4.266 50 30 EIEARN N#Cc1ccc(N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)nc1 ZINC000241316899 564122568 /nfs/dbraw/zinc/12/25/68/564122568.db2.gz LVWXWNONZRZBPW-URLYPYJESA-N 0 0 337.267 4.275 50 30 EIEARN COCc1cc(C)nc(N=NCc2c(Cl)cccc2Cl)c1C#N ZINC000252630034 564123515 /nfs/dbraw/zinc/12/35/15/564123515.db2.gz UTAYYJSTWFBFPV-UHFFFAOYSA-N 0 0 349.221 4.161 50 30 EIEARN COc1ccc(C(F)(F)F)cc1NC(=O)ON=C(Cl)C(C)C ZINC000252644080 564124766 /nfs/dbraw/zinc/12/47/66/564124766.db2.gz ZYQLQBDROPYYOL-UHFFFAOYSA-N 0 0 338.713 4.471 50 30 EIEARN C=C(OC)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)C3=CC[C@]21C ZINC000071770494 564129473 /nfs/dbraw/zinc/12/94/73/564129473.db2.gz CDDWHDDTCIDDRY-FYKMYLNBSA-N 0 0 342.479 4.330 50 30 EIEARN Cc1ccc(O)c(Nc2cc(C)c(C#N)c3nc4ccccc4n32)c1 ZINC000000344296 564133096 /nfs/dbraw/zinc/13/30/96/564133096.db2.gz JOXJEZMKFNRISO-UHFFFAOYSA-N 0 0 328.375 4.425 50 30 EIEARN CCOc1ccccc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000000315010 564133111 /nfs/dbraw/zinc/13/31/11/564133111.db2.gz AOZYOKNGSQYDKA-LBPRGKRZSA-N 0 0 340.448 4.396 50 30 EIEARN Cc1c(C#N)c2ncnc(NCc3ccccc3)c2n1-c1ccccc1 ZINC000000435546 564133255 /nfs/dbraw/zinc/13/32/55/564133255.db2.gz JOWBAXKCGUHWNK-UHFFFAOYSA-N 0 0 339.402 4.213 50 30 EIEARN CCNc1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N ZINC000008654596 564134046 /nfs/dbraw/zinc/13/40/46/564134046.db2.gz KCYXXJWNIFYZJG-UHFFFAOYSA-N 0 0 343.770 4.470 50 30 EIEARN N#Cc1cccc(-c2nccn2CCOc2cccc3cccnc32)c1 ZINC000077380477 564134188 /nfs/dbraw/zinc/13/41/88/564134188.db2.gz VRDHQCNQMCNQBX-UHFFFAOYSA-N 0 0 340.386 4.049 50 30 EIEARN N#Cc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)nsc32)cc1 ZINC000065362082 564134297 /nfs/dbraw/zinc/13/42/97/564134297.db2.gz IOHOTMPQLQFJPV-HNNXBMFYSA-N 0 0 349.390 4.295 50 30 EIEARN COC(=O)CCCn1cnc(-c2ccccc2)c1-c1ccc(C#N)cc1 ZINC000065376396 564134314 /nfs/dbraw/zinc/13/43/14/564134314.db2.gz ITEYFMRZBIIRPU-UHFFFAOYSA-N 0 0 345.402 4.042 50 30 EIEARN Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(c3cccc(C#N)n3)C2)cc1 ZINC000067542120 564134835 /nfs/dbraw/zinc/13/48/35/564134835.db2.gz NFUATLKSUTZFLY-KRWDZBQOSA-N 0 0 343.434 4.036 50 30 EIEARN Cc1sc(NC(=O)[C@H]2CCCO2)c(C#N)c1-c1ccc(C)cc1 ZINC000013327721 564136225 /nfs/dbraw/zinc/13/62/25/564136225.db2.gz UQIMHCXEXYZOLW-OAHLLOKOSA-N 0 0 326.421 4.021 50 30 EIEARN C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCCOCC3)c2)C1 ZINC000328587096 564136540 /nfs/dbraw/zinc/13/65/40/564136540.db2.gz XWWWHNFRJRSFPS-QFBILLFUSA-N 0 0 346.471 4.050 50 30 EIEARN C[C@H](NC(=O)N1CCC(c2c[nH]cn2)CC1)c1cccc2ccccc21 ZINC000328587698 564136542 /nfs/dbraw/zinc/13/65/42/564136542.db2.gz FLCAEJSISQNYSH-HNNXBMFYSA-N 0 0 348.450 4.418 50 30 EIEARN C[C@@H](C(=O)Nc1nc[nH]n1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000095480567 564141560 /nfs/dbraw/zinc/14/15/60/564141560.db2.gz JCQDDHQHPPQJAA-SECBINFHSA-N 0 0 339.786 4.484 50 30 EIEARN Cc1cc(C)c2c(c1)C(=O)/C(=C/c1csc(-c3ccccn3)n1)CO2 ZINC000096401849 564147110 /nfs/dbraw/zinc/14/71/10/564147110.db2.gz DRHGXYCSEJZXOV-NTEUORMPSA-N 0 0 348.427 4.481 50 30 EIEARN C=CCn1c(SCc2nnc(C(C)C)o2)nnc1C1CCCCC1 ZINC000096403347 564147182 /nfs/dbraw/zinc/14/71/82/564147182.db2.gz MFWNVSQMGLRAML-UHFFFAOYSA-N 0 0 347.488 4.311 50 30 EIEARN CCOc1ccc(CC(=O)[C@H](C#N)c2nc3ccccc3s2)cc1 ZINC000002641487 564151729 /nfs/dbraw/zinc/15/17/29/564151729.db2.gz KZACACDNSDIZKC-HNNXBMFYSA-N 0 0 336.416 4.114 50 30 EIEARN N#CCCN(C(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000002655370 564151976 /nfs/dbraw/zinc/15/19/76/564151976.db2.gz IXXGXEWZLFAXTN-UHFFFAOYSA-N 0 0 348.324 4.031 50 30 EIEARN CC1N=NC(=S)N1N=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000254633976 564152394 /nfs/dbraw/zinc/15/23/94/564152394.db2.gz RZLSBKGHWBBXGT-UHFFFAOYSA-N 0 0 346.500 4.058 50 30 EIEARN Cc1sc(NC(=O)Cc2ccc(Br)cc2)c(C#N)c1C ZINC000002872702 564152877 /nfs/dbraw/zinc/15/28/77/564152877.db2.gz CPJMFJSRXUUULZ-UHFFFAOYSA-N 0 0 349.253 4.180 50 30 EIEARN COc1cc(C#N)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000002877792 564152882 /nfs/dbraw/zinc/15/28/82/564152882.db2.gz YZJGVJOZNKKFJB-UHFFFAOYSA-N 0 0 338.241 4.286 50 30 EIEARN Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000029279995 564153244 /nfs/dbraw/zinc/15/32/44/564153244.db2.gz OMGLPGUFTDWSLY-UHFFFAOYSA-N 0 0 343.795 4.489 50 30 EIEARN COc1cc(C#N)ccc1Oc1nc(C(F)(F)F)nc2ccccc21 ZINC000057681877 564155459 /nfs/dbraw/zinc/15/54/59/564155459.db2.gz BROLQDHFRIFDLF-UHFFFAOYSA-N 0 0 345.280 4.321 50 30 EIEARN Cc1nn(CCC#N)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000003197677 564155891 /nfs/dbraw/zinc/15/58/91/564155891.db2.gz YRBYPGFONOAZER-UHFFFAOYSA-N 0 0 330.313 4.339 50 30 EIEARN N#Cc1c(F)cccc1NCc1ccc(-n2cnc3ccccc32)nc1 ZINC000057830253 564156006 /nfs/dbraw/zinc/15/60/06/564156006.db2.gz YGXMNDBUMPPBPH-UHFFFAOYSA-N 0 0 343.365 4.043 50 30 EIEARN N#Cc1ccc(-c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 ZINC000003291740 564157098 /nfs/dbraw/zinc/15/70/98/564157098.db2.gz LRDYFXHBBOWYNL-UHFFFAOYSA-N 0 0 343.338 4.173 50 30 EIEARN COc1ccccc1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000008277371 564163975 /nfs/dbraw/zinc/16/39/75/564163975.db2.gz IKGMYEXGPWKNJW-UHFFFAOYSA-N 0 0 342.398 4.164 50 30 EIEARN Fc1ccc(CNC(=S)Nc2ccc(OC(F)F)cc2)cc1 ZINC000008685145 564166311 /nfs/dbraw/zinc/16/63/11/564166311.db2.gz PJQJDLUIIPVZRU-UHFFFAOYSA-N 0 0 326.343 4.325 50 30 EIEARN C=C(C)c1nc(C#N)c(N=NCc2ccc(OCCC(C)C)cc2)o1 ZINC000008917309 564167897 /nfs/dbraw/zinc/16/78/97/564167897.db2.gz RYXYGRRUGUOTLO-UHFFFAOYSA-N 0 0 338.411 4.450 50 30 EIEARN Cn1ncc2c1CC/C(=C\c1cccc(Oc3ccccc3)c1)C2=O ZINC000070040219 564173526 /nfs/dbraw/zinc/17/35/26/564173526.db2.gz VRCXNXSGMDSGNQ-FOWTUZBSSA-N 0 0 330.387 4.425 50 30 EIEARN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCCc2occc2C1 ZINC000329313810 1022844105 /nfs/dbraw/zinc/84/41/05/1022844105.db2.gz APESZUKVGRCJOQ-LBPRGKRZSA-N 0 0 343.814 4.230 50 30 EIEARN CCOc1ccc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000097998949 1023185046 /nfs/dbraw/zinc/18/50/46/1023185046.db2.gz BBKAMJFZIRRQEK-AUWJEWJLSA-N 0 0 335.403 4.108 50 30 EIEARN Cc1nc(CC2CC2)sc1C(=O)NC(C)(C)c1ccc(C)nc1 ZINC000330027314 1023615105 /nfs/dbraw/zinc/61/51/05/1023615105.db2.gz MXAGTDMCCXXNEX-UHFFFAOYSA-N 0 0 329.469 4.347 50 30 EIEARN N#CC1(c2nc(-c3ccccc3OCc3ccncc3)no2)CCCC1 ZINC000888097541 1026013069 /nfs/dbraw/zinc/01/30/69/1026013069.db2.gz PAEWITBUMZFGNN-UHFFFAOYSA-N 0 0 346.390 4.046 50 30 EIEARN Cc1cccc2c1OCC/C(=C\c1cc3c(c(Cl)c1)OCO3)C2=O ZINC000029217850 1027103843 /nfs/dbraw/zinc/10/38/43/1027103843.db2.gz LUVRLQNZAWJKJH-NTUHNPAUSA-N 0 0 342.778 4.426 50 30 EIEARN O=c1oc2ccccc2cc1-c1cnc(N=NCc2ccccc2)s1 ZINC000005899316 1035451840 /nfs/dbraw/zinc/45/18/40/1035451840.db2.gz ISIHNVRRVATYAD-SRZZPIQSSA-N 0 0 347.399 4.363 50 30 EIEARN O=C(CON=Cc1ccccc1F)Nc1ccccc1-c1ccccc1 ZINC000254865239 1036090421 /nfs/dbraw/zinc/09/04/21/1036090421.db2.gz AXZDYWIQOWEKLG-UHFFFAOYSA-N 0 0 348.377 4.482 50 30 EIEARN CN=c1scc(-c2ccccc2)n1N=Cc1c[nH]c2ccccc12 ZINC000254478068 1038016157 /nfs/dbraw/zinc/01/61/57/1038016157.db2.gz JGVYFALUUXCVQR-UHFFFAOYSA-N 0 0 332.432 4.111 50 30 EIEARN O=C1c2ccccc2C/C1=C/c1ccc(OCc2ccccn2)cc1 ZINC000097147169 1039972709 /nfs/dbraw/zinc/97/27/09/1039972709.db2.gz NQOZHMILUABFRG-AQTBWJFISA-N 0 0 327.383 4.483 50 30 EIEARN O=C(/C=C/c1ccsc1)c1ccc(I)cc1 ZINC000008155979 1041379557 /nfs/dbraw/zinc/37/95/57/1041379557.db2.gz CUHGQUIBNDZWQV-LZCJLJQNSA-N 0 0 340.185 4.249 50 30 EIEARN CC(=NN=c1sc2ccccc2n1C)c1ccc(OC(F)F)cc1 ZINC000606347193 1043066393 /nfs/dbraw/zinc/06/63/93/1043066393.db2.gz OPSTYMOWRKQTAE-UHFFFAOYSA-N 0 0 347.390 4.166 50 30 EIEARN Cc1nc(C(C)(C)C)sc1C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000610975612 1043110489 /nfs/dbraw/zinc/11/04/89/1043110489.db2.gz GPXUBCVWFKSLBG-UHFFFAOYSA-N 0 0 339.464 4.040 50 30 EIEARN N#Cc1nc(/C=C/c2ccccc2)oc1NCCOc1ccccc1 ZINC000826802750 1044807636 /nfs/dbraw/zinc/80/76/36/1044807636.db2.gz BMPCTYADAXJBTR-VAWYXSNFSA-N 0 0 331.375 4.208 50 30 EIEARN N#CCOc1ccc(C(=O)/C=C\c2ccc(OC(F)F)cc2)cc1 ZINC000033466824 1047314952 /nfs/dbraw/zinc/31/49/52/1047314952.db2.gz TZWJRVNAIUUKHC-KMKOMSMNSA-N 0 0 329.302 4.086 50 30 EIEARN COc1cc(/C=C\C(=O)c2ccccc2)cc(Br)c1O ZINC000033618481 1047651858 /nfs/dbraw/zinc/65/18/58/1047651858.db2.gz KQFFBNPKNSPRSS-FPLPWBNLSA-N 0 0 333.181 4.059 50 30 EIEARN O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)c1ccnc(Cl)c1 ZINC000095468049 1047802167 /nfs/dbraw/zinc/80/21/67/1047802167.db2.gz PYTNTDJSBLISEZ-OWOJBTEDSA-N 0 0 336.174 4.056 50 30 EIEARN COc1cc(/C=C2/C(=O)c3ccccc3OC2(C)C)ccc1OCC#N ZINC000584907838 1049089148 /nfs/dbraw/zinc/08/91/48/1049089148.db2.gz LKUDGVGNCLNYRZ-VBKFSLOCSA-N 0 0 349.386 4.035 50 30 EIEARN Cc1ccc(CN2CCN(N=Cc3ccccc3Cl)CC2)c(C)c1 ZINC000002210387 1049464182 /nfs/dbraw/zinc/46/41/82/1049464182.db2.gz QJBYSMWLKXSKEM-UHFFFAOYSA-N 0 0 341.886 4.109 50 30 EIEARN C#CCCC1(CCC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)N=N1 ZINC000952882662 1049681208 /nfs/dbraw/zinc/68/12/08/1049681208.db2.gz WRTRRZYYDLERED-QGZVFWFLSA-N 0 0 329.831 4.263 50 30 EIEARN CC(=O)Nc1ccc(/C=C2/C(=O)c3c(c(Cl)ccc3O)[C@@H]2C)cc1 ZINC000101497895 1053978785 /nfs/dbraw/zinc/97/87/85/1053978785.db2.gz AAZZUZYAKGYKGH-GMROUXNLSA-N 0 0 341.794 4.387 50 30 EIEARN O=C(/C=C\c1c(Cl)cccc1Cl)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000050647672 214063660 /nfs/dbraw/zinc/06/36/60/214063660.db2.gz VRNUEQKGFGWRCC-ALCCZGGFSA-N 0 0 333.174 4.059 50 30 EIEARN COC(=O)c1c(C)[nH]c(C=NNc2ccccc2)c1-c1ccccc1 ZINC000004728788 210263368 /nfs/dbraw/zinc/26/33/68/210263368.db2.gz ADWXCAXHYWPIJT-FYJGNVAPSA-N 0 0 333.391 4.223 50 30 EIEARN N#Cc1c(Cl)nsc1NCc1cccc(NC(=O)C2CCC2)c1 ZINC000051855123 214106223 /nfs/dbraw/zinc/10/62/23/214106223.db2.gz JUMZRTPUEOKXFN-UHFFFAOYSA-N 0 0 346.843 4.019 50 30 EIEARN C=C(C)CNC(=S)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000052600521 214136908 /nfs/dbraw/zinc/13/69/08/214136908.db2.gz ODZFKEXOQKGUGT-KRWDZBQOSA-N 0 0 328.506 4.146 50 30 EIEARN COc1c(Cl)cc(Cl)cc1[C@H](C#N)N1N=C(C)CC1(C)C ZINC000004725078 210261567 /nfs/dbraw/zinc/26/15/67/210261567.db2.gz AIJZNNICKUTJJB-ZDUSSCGKSA-N 0 0 326.227 4.427 50 30 EIEARN Cc1ccc(C(=O)C2CCN(c3snc(Cl)c3C#N)CC2)cc1 ZINC000054124165 214218282 /nfs/dbraw/zinc/21/82/82/214218282.db2.gz MYJROEITJOLIAP-UHFFFAOYSA-N 0 0 345.855 4.076 50 30 EIEARN C=CCOc1ccccc1NC(=O)N1CCCC[C@@H]1c1cc(C)on1 ZINC000097717137 219050802 /nfs/dbraw/zinc/05/08/02/219050802.db2.gz MKUXDQHYATUZPC-QGZVFWFLSA-N 0 0 341.411 4.307 50 30 EIEARN COc1ccc(/N=C/c2ccc(Br)s2)c([N+](=O)[O-])c1 ZINC000004672145 210243216 /nfs/dbraw/zinc/24/32/16/210243216.db2.gz BFMVIAFBRQLYQW-VGOFMYFVSA-N 0 0 341.186 4.178 50 30 EIEARN COCc1cc(C)nc(N=NCc2c(Cl)cccc2Cl)c1C#N ZINC000004620697 210233240 /nfs/dbraw/zinc/23/32/40/210233240.db2.gz UTAYYJSTWFBFPV-DNTJNYDQSA-N 0 0 349.221 4.161 50 30 EIEARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000004590432 210228607 /nfs/dbraw/zinc/22/86/07/210228607.db2.gz CTGTZDHCXARJAP-RUDMXATFSA-N 0 0 332.153 4.253 50 30 EIEARN Cc1ccc(/N=C2/S/C(=C\c3ccc(O)cc3)C(=O)N2C)cc1C ZINC000004547427 210219554 /nfs/dbraw/zinc/21/95/54/210219554.db2.gz KAZIWKTZZNYDGY-GDOHLEIWSA-N 0 0 338.432 4.243 50 30 EIEARN C/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccc(-c2ccccc2)cc1 ZINC000004523851 210213788 /nfs/dbraw/zinc/21/37/88/210213788.db2.gz YFCHWBMJAKHQDD-JJIBRWJFSA-N 0 0 341.414 4.276 50 30 EIEARN CCCC(=O)C1=C(Nc2cccc([N+](=O)[O-])c2)CC(C)(C)CC1=O ZINC000100319210 219096739 /nfs/dbraw/zinc/09/67/39/219096739.db2.gz COKBDCULQPESIP-UHFFFAOYSA-N 0 0 330.384 4.019 50 30 EIEARN CCOc1ccc(NC=CC(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000100484671 219100754 /nfs/dbraw/zinc/10/07/54/219100754.db2.gz JYGYYQOWHSNLBM-ZHACJKMWSA-N 0 0 326.352 4.110 50 30 EIEARN CN1c2ccccc2S/C1=C\C(=O)c1cc2ccccc2oc1=O ZINC000004482862 210199286 /nfs/dbraw/zinc/19/92/86/210199286.db2.gz VUAHKMGTLQDTND-WQRHYEAKSA-N 0 0 335.384 4.059 50 30 EIEARN C=CCN1C(=O)S/C(=C/c2ccc(-c3ccccc3C#N)o2)C1=O ZINC000004472425 210196840 /nfs/dbraw/zinc/19/68/40/210196840.db2.gz JQVWZUZTPUUWOI-MHWRWJLKSA-N 0 0 336.372 4.041 50 30 EIEARN COc1ccc(-c2ccc(C#N)c(SCc3ccncc3)n2)cc1 ZINC000004451066 210193822 /nfs/dbraw/zinc/19/38/22/210193822.db2.gz PEQJTVGYSUWYTE-UHFFFAOYSA-N 0 0 333.416 4.316 50 30 EIEARN O=C(C(=CNc1ccccc1Cl)C(=O)C(F)(F)F)c1ccco1 ZINC000100862331 219109219 /nfs/dbraw/zinc/10/92/19/219109219.db2.gz DKDGITRUWMTWMR-HJWRWDBZSA-N 0 0 343.688 4.243 50 30 EIEARN Cc1ccc(C(=O)Nc2sc(CC#N)nc2-c2cccs2)cc1 ZINC000004387687 210185808 /nfs/dbraw/zinc/18/58/08/210185808.db2.gz OVQZUJHGJWAFQW-UHFFFAOYSA-N 0 0 339.445 4.498 50 30 EIEARN COc1ccc(CN=Nc2ncnc3cc(C(C)(C)C)sc32)cc1 ZINC000004324164 210171229 /nfs/dbraw/zinc/17/12/29/210171229.db2.gz XKLAFGYKBRWMIK-UFFVCSGVSA-N 0 0 340.452 4.443 50 30 EIEARN Oc1ccc(Br)cc1C=NNc1ccc2ccccc2n1 ZINC000004151318 210133069 /nfs/dbraw/zinc/13/30/69/210133069.db2.gz IDPOFDYEBLHNSH-VCHYOVAHSA-N 0 0 342.196 4.149 50 30 EIEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1ccnc1 ZINC000004115358 210122948 /nfs/dbraw/zinc/12/29/48/210122948.db2.gz VAVFIVOTUKNZHG-UHFFFAOYSA-N 0 0 329.407 4.196 50 30 EIEARN COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)c(OC)c1 ZINC000004086284 210116510 /nfs/dbraw/zinc/11/65/10/210116510.db2.gz WQLNGYXDLOYYFS-UXBLZVDNSA-N 0 0 347.208 4.362 50 30 biogenic EIEARN C[C@H]1CN(C(=O)Nc2ccccc2)/C(=N/Cc2ccccc2)S1 ZINC000102707866 219223491 /nfs/dbraw/zinc/22/34/91/219223491.db2.gz DOJPZIRLFVWAKI-JGWKNBOWSA-N 0 0 325.437 4.212 50 30 EIEARN N#CCCCSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC000003385844 210023535 /nfs/dbraw/zinc/02/35/35/210023535.db2.gz OYTTYWNPAZDHOG-UHFFFAOYSA-N 0 0 338.411 4.469 50 30 EIEARN COc1ccc([C@@H]2C(C(C)=O)=C(C)N=C3c4ccccc4C(=O)C32)cc1 ZINC000102880569 219237765 /nfs/dbraw/zinc/23/77/65/219237765.db2.gz IBTIGLDORFEKTD-LJQANCHMSA-N 0 0 345.398 4.427 50 30 EIEARN N#Cc1c(N)nc(-c2ccco2)cc1-c1ccc([C@@H]2CCCCO2)o1 ZINC000067834436 215224172 /nfs/dbraw/zinc/22/41/72/215224172.db2.gz QYACYNOGJJFGMU-KRWDZBQOSA-N 0 0 335.363 4.297 50 30 EIEARN Cn1ccc(-c2cc(-c3ccc([C@H]4CCCCO4)o3)c(C#N)c(N)n2)c1 ZINC000067921159 215251437 /nfs/dbraw/zinc/25/14/37/215251437.db2.gz PWMWBIFHVKUAJE-GOSISDBHSA-N 0 0 348.406 4.043 50 30 EIEARN COc1ccc(C(=O)C(C#N)=NNc2c(Cl)cccc2Cl)cc1 ZINC000103743928 219322938 /nfs/dbraw/zinc/32/29/38/219322938.db2.gz HKUXVNOSUCDVFS-XSFVSMFZSA-N 0 0 348.189 4.176 50 30 EIEARN COc1ccc(C2=C(Nc3cc(C)on3)c3ccccc3C2=O)cc1 ZINC000002549767 209866003 /nfs/dbraw/zinc/86/60/03/209866003.db2.gz WBABJRGVKOEJRK-UHFFFAOYSA-N 0 0 332.359 4.168 50 30 EIEARN CCCCCCCn1c2ccccc2nc1-c1nonc1NC(C)=O ZINC000104229064 219363513 /nfs/dbraw/zinc/36/35/13/219363513.db2.gz YIWILCLCPFPEAH-UHFFFAOYSA-N 0 0 341.415 4.015 50 30 EIEARN N#CC1(NC(=O)CSc2ccc(F)c(Cl)c2)CCCCCC1 ZINC000040050510 213254999 /nfs/dbraw/zinc/25/49/99/213254999.db2.gz DDUVAJDEPYBTAS-UHFFFAOYSA-N 0 0 340.851 4.304 50 30 EIEARN CN(Cc1cccc(Cl)c1Cl)C(=O)NCC#Cc1ccccc1 ZINC000040071279 213257981 /nfs/dbraw/zinc/25/79/81/213257981.db2.gz PQOXNMJFWYJDON-UHFFFAOYSA-N 0 0 347.245 4.187 50 30 EIEARN CCCn1c(C)c(C(=O)Nc2ccc(C#N)cc2)c2cc(OC)ccc21 ZINC000040017292 213251928 /nfs/dbraw/zinc/25/19/28/213251928.db2.gz DHPAXRUYOPFKSP-UHFFFAOYSA-N 0 0 347.418 4.492 50 30 EIEARN C=CCNc1oc(-c2ccc(OCc3ccccc3)cc2)nc1C#N ZINC000039841513 213242378 /nfs/dbraw/zinc/24/23/78/213242378.db2.gz COFNVBQZJQPDEV-UHFFFAOYSA-N 0 0 331.375 4.390 50 30 EIEARN N#C[C@H](c1ccc(Br)cc1)N1CCC(c2ccccc2)=N1 ZINC000001441938 209750610 /nfs/dbraw/zinc/75/06/10/209750610.db2.gz NYLITHJIOLXLBE-QGZVFWFLSA-N 0 0 340.224 4.124 50 30 EIEARN N#Cc1ccc(-c2csc(NC(=O)Nc3cccs3)n2)cc1 ZINC000038550338 213214973 /nfs/dbraw/zinc/21/49/73/213214973.db2.gz WHVKDQBADDYTFD-UHFFFAOYSA-N 0 0 326.406 4.387 50 30 EIEARN COc1ccc(C(=O)c2sc(Nc3ccccc3)c(C#N)c2N)cc1 ZINC000000552106 209662194 /nfs/dbraw/zinc/66/21/94/209662194.db2.gz LYDNKAURZBLNFK-UHFFFAOYSA-N 0 0 349.415 4.185 50 30 EIEARN Cc1cc(C)c(NC(=O)CSc2nc(C)cc(C)c2C#N)c(C)c1 ZINC000037866379 213171613 /nfs/dbraw/zinc/17/16/13/213171613.db2.gz MZRQLMRACLHEEB-UHFFFAOYSA-N 0 0 339.464 4.226 50 30 EIEARN CC(Nc1ccc(Br)cc1)=C1C(=O)c2ccccc2C1=O ZINC000000467574 209619773 /nfs/dbraw/zinc/61/97/73/209619773.db2.gz OEMDESFWFARQBJ-UHFFFAOYSA-N 0 0 342.192 4.214 50 30 EIEARN N#Cc1ccccc1C(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071746609 215803262 /nfs/dbraw/zinc/80/32/62/215803262.db2.gz AYOHCHGFKVSORM-QGZVFWFLSA-N 0 0 336.410 4.182 50 30 EIEARN COc1cc(/C=C/C(=O)c2ccc(C#N)cc2)ccc1OC(F)F ZINC000023776607 212395039 /nfs/dbraw/zinc/39/50/39/212395039.db2.gz YYVRHRYKTMYIAY-XBXARRHUSA-N 0 0 329.302 4.064 50 30 EIEARN O=C1c2ccc(Br)cc2OCC/C1=C\c1cccc(O)c1 ZINC000023702358 212391341 /nfs/dbraw/zinc/39/13/41/212391341.db2.gz YCTNCFPASNUDGW-XYOKQWHBSA-N 0 0 345.192 4.204 50 30 EIEARN CC(C)(C)n1nnnc1SCc1ccc(-c2ccccc2C#N)cc1 ZINC000022417100 212296996 /nfs/dbraw/zinc/29/69/96/212296996.db2.gz PYQRNUFAHBJOEO-UHFFFAOYSA-N 0 0 349.463 4.259 50 30 EIEARN C=CCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](CC)C2 ZINC000022323059 212290081 /nfs/dbraw/zinc/29/00/81/212290081.db2.gz AEIKMOHBEPJJEE-GFCCVEGCSA-N 0 0 335.469 4.344 50 30 EIEARN Cc1cc(C#N)c(-c2ccccc2C(=O)N(C(C)C)C(C)C)nc1C ZINC000215957852 241156680 /nfs/dbraw/zinc/15/66/80/241156680.db2.gz ZZEYZPUBJPYBCK-UHFFFAOYSA-N 0 0 335.451 4.496 50 30 EIEARN Cc1ccc(C/N=C2\C(c3ccc(C(C)C)cc3)=Nc3ncnn32)cc1 ZINC000021102498 212207040 /nfs/dbraw/zinc/20/70/40/212207040.db2.gz PKTDXDXJHKVTPO-LSDHQDQOSA-N 0 0 343.434 4.291 50 30 EIEARN Cc1ccc(CN2CCN(/N=C/c3ccc(C(C)C)cc3)CC2)cc1 ZINC000020189205 212109938 /nfs/dbraw/zinc/10/99/38/212109938.db2.gz JKZXKMLIFLCOIJ-XQNSMLJCSA-N 0 0 335.495 4.270 50 30 EIEARN COc1ccc([C@H]2Nc3ncccc3N=C3CC(C)(C)CC(=O)C32)cc1 ZINC000018244349 211992476 /nfs/dbraw/zinc/99/24/76/211992476.db2.gz MWULTKCYKSMLOV-LJQANCHMSA-N 0 0 349.434 4.312 50 30 EIEARN O=C(Nc1nncn1Cc1ccccc1)c1cccc(Cl)c1Cl ZINC000078773609 217117700 /nfs/dbraw/zinc/11/77/00/217117700.db2.gz CRZGWQVYEIPZSG-UHFFFAOYSA-N 0 0 347.205 4.270 50 30 EIEARN C=CCOC(=O)c1sc2nc(-c3ccc(Cl)cc3)cn2c1C ZINC000016735259 211932216 /nfs/dbraw/zinc/93/22/16/211932216.db2.gz KONDDTZKVNSSGC-UHFFFAOYSA-N 0 0 332.812 4.367 50 30 EIEARN C=CCN1C(=O)S/C(=C\c2cc(C(C)C)c(OC)cc2C)C1=O ZINC000015010908 211787826 /nfs/dbraw/zinc/78/78/26/211787826.db2.gz ADCFFFHIKUQGTB-YBEGLDIGSA-N 0 0 331.437 4.349 50 30 EIEARN C=CCOc1ccc(-c2nn3c(nnc3-c3cccs3)s2)cc1 ZINC000012650565 211429395 /nfs/dbraw/zinc/42/93/95/211429395.db2.gz GLQMTZDZXFJWEL-UHFFFAOYSA-N 0 0 340.433 4.146 50 30 EIEARN N#C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000012650731 211429125 /nfs/dbraw/zinc/42/91/25/211429125.db2.gz HWYCMBISZMDDLP-HNNXBMFYSA-N 0 0 332.403 4.171 50 30 EIEARN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)SC1=Nc2ccccc2CS1 ZINC000012781034 211453828 /nfs/dbraw/zinc/45/38/28/211453828.db2.gz PPAFTIFTZXTVKH-YVEFUNNKSA-N 0 0 347.509 4.097 50 30 EIEARN COc1cc(O)c2c(c1)/C=C/CCC/C(=N/O)CCC[C@H](C)OC2=O ZINC000012338922 211352939 /nfs/dbraw/zinc/35/29/39/211352939.db2.gz MIBNXDXFYSSLFE-AIQUXSESSA-N 0 0 347.411 4.144 50 30 EIEARN CC(C)c1ccc(N[C@H]2CCCN(C(=O)C#Cc3ccccc3)C2)cc1 ZINC000012307477 211341087 /nfs/dbraw/zinc/34/10/87/211341087.db2.gz DRSXZNQHFQOBNN-QFIPXVFZSA-N 0 0 346.474 4.265 50 30 EIEARN COc1ccccc1-c1nnc(SCc2ccc(C#N)cc2F)o1 ZINC000011388573 211215597 /nfs/dbraw/zinc/21/55/97/211215597.db2.gz LQLZBXHNFYSONV-UHFFFAOYSA-N 0 0 341.367 4.048 50 30 EIEARN C[C@@H](Nc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1C#N ZINC000011039230 211201979 /nfs/dbraw/zinc/20/19/79/211201979.db2.gz PZAAZJFYKJQBQH-LLVKDONJSA-N 0 0 333.313 4.016 50 30 EIEARN Cc1oc(-c2ccccc2)nc1C(=O)OCc1cc(C#N)ccc1F ZINC000011215173 211208544 /nfs/dbraw/zinc/20/85/44/211208544.db2.gz OWFBNFZPLMYVCV-UHFFFAOYSA-N 0 0 336.322 4.018 50 30 EIEARN Cc1cc(C)c2c(n1)O[C@]1(C(F)(F)F)Oc3ccccc3C=C1C2=O ZINC000009304680 211062953 /nfs/dbraw/zinc/06/29/53/211062953.db2.gz CSKHEDYHUGDCPO-QGZVFWFLSA-N 0 0 347.292 4.008 50 30 EIEARN OC1=CC(c2ccc(Cl)cc2)C=C(O)C1c1nc2ccccc2[nH]1 ZINC000009287718 211061805 /nfs/dbraw/zinc/06/18/05/211061805.db2.gz ZGWKOCLXGFHRMA-UHFFFAOYSA-N 0 0 338.794 4.105 50 30 EIEARN CC(=O)c1cc(C#N)c(SCc2cc(C)on2)nc1-c1ccccc1 ZINC000008985522 211027332 /nfs/dbraw/zinc/02/73/32/211027332.db2.gz ZKSOAWMQZZJCRX-UHFFFAOYSA-N 0 0 349.415 4.412 50 30 EIEARN C=C(C)CN(CC)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000095397931 218330942 /nfs/dbraw/zinc/33/09/42/218330942.db2.gz DDWBZCBIXAAMSE-QHCPKHFHSA-N 0 0 336.501 4.164 50 30 EIEARN N#Cc1csc(CNc2cccc(COC[C@H]3CCCCO3)c2)c1 ZINC000095428560 218371081 /nfs/dbraw/zinc/37/10/81/218371081.db2.gz SDFSBOSDXSZRID-GOSISDBHSA-N 0 0 342.464 4.318 50 30 EIEARN N#C[C@H]1CCCN(C(=O)Nc2cccc(OCc3ccccc3)c2)C1 ZINC000095507047 218420086 /nfs/dbraw/zinc/42/00/86/218420086.db2.gz MZOLNUDAXRRPSE-QGZVFWFLSA-N 0 0 335.407 4.033 50 30 EIEARN CCOc1ccc(NC=C2CCc3ccccc3C2=O)c([N+](=O)[O-])c1 ZINC000006387527 210627634 /nfs/dbraw/zinc/62/76/34/210627634.db2.gz REENWROEVKLKKZ-OWBHPGMISA-N 0 0 338.363 4.118 50 30 EIEARN Cc1ccc(O)c(NC=CC(=O)c2ccc(Br)cc2)c1 ZINC000006266535 210609091 /nfs/dbraw/zinc/60/90/91/210609091.db2.gz DEEBCMLREXCRIY-CMDGGOBGSA-N 0 0 332.197 4.272 50 30 EIEARN CCOC(=O)c1ccc(NC=CC(=O)c2ccc(OCC)cc2)cc1 ZINC000006246858 210607296 /nfs/dbraw/zinc/60/72/96/210607296.db2.gz XRSDLMHIGBEXII-BUHFOSPRSA-N 0 0 339.391 4.071 50 30 EIEARN CC(=NNc1cccc(C)c1)c1cc2c(C)cc(=O)oc2c(C)c1O ZINC000096343758 218744771 /nfs/dbraw/zinc/74/47/71/218744771.db2.gz PZYZTSNMKPIPAR-STZFKDTASA-N 0 0 336.391 4.260 50 30 EIEARN C=CCSc1nc(-c2cccc(OC)c2)nc2c1COC(C)(C)C2 ZINC000005303070 210435159 /nfs/dbraw/zinc/43/51/59/210435159.db2.gz BSGFYOPGZIIKSB-UHFFFAOYSA-N 0 0 342.464 4.282 50 30 EIEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccccc1F ZINC000005371037 210450957 /nfs/dbraw/zinc/45/09/57/210450957.db2.gz GRSZKDCOHSSIAJ-NTEUORMPSA-N 0 0 332.787 4.371 50 30 EIEARN C#CCOc1ccc(/C=C\C(=O)c2cccc(OC)c2)cc1OCC ZINC000096766651 218889815 /nfs/dbraw/zinc/88/98/15/218889815.db2.gz CHHIXNDPZILICU-LUAWRHEFSA-N 0 0 336.387 4.002 50 30 EIEARN COc1ccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 ZINC000005128056 210397315 /nfs/dbraw/zinc/39/73/15/210397315.db2.gz WIJMIAMNBXPXTG-XBXARRHUSA-N 0 0 347.754 4.162 50 30 EIEARN O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000005128708 210396193 /nfs/dbraw/zinc/39/61/93/210396193.db2.gz OVCQEXNEMJEJRT-MDZDMXLPSA-N 0 0 332.153 4.253 50 30 EIEARN CC[C@@H](C)Oc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000004916427 210322404 /nfs/dbraw/zinc/32/24/04/210322404.db2.gz OCIYDOVPQKMEKK-UKRRQHHQSA-N 0 0 341.451 4.111 50 30 EIEARN Cc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 ZINC000004914631 210322199 /nfs/dbraw/zinc/32/21/99/210322199.db2.gz YBQTUUQRSYFIFD-MAUKXSAKSA-N 0 0 349.405 4.138 50 30 EIEARN Cc1nc(S[C@@H](C)C(=O)N(C)c2ccccc2)c(C#N)c(C)c1C ZINC000007059491 208580693 /nfs/dbraw/zinc/58/06/93/208580693.db2.gz KUECKWVIUAERTP-HNNXBMFYSA-N 0 0 339.464 4.022 50 30 EIEARN CC(C)c1ccccc1-n1c(S[C@@H](C)C#N)nnc1-c1cccnc1 ZINC000004827937 210289493 /nfs/dbraw/zinc/28/94/93/210289493.db2.gz BUJZVOPXMBVEEW-AWEZNQCLSA-N 0 0 349.463 4.457 50 30 EIEARN N#Cc1c2c(sc1NC(=O)C13CC4CC(CC(C4)C1)C3)CCC2 ZINC000004746399 210269556 /nfs/dbraw/zinc/26/95/56/210269556.db2.gz YEFVDYIYCJFAEH-UHFFFAOYSA-N 0 0 326.465 4.263 50 30 EIEARN CCc1cccc2c1OCC[C@H]2NC(=O)Cc1ccc(Cl)cn1 ZINC000330033239 258002223 /nfs/dbraw/zinc/00/22/23/258002223.db2.gz YAYXODIBYKOCPR-MRXNPFEDSA-N 0 0 330.815 4.320 50 30 EIEARN O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)c1cc[nH]c(=O)c1 ZINC000330032274 258002325 /nfs/dbraw/zinc/00/23/25/258002325.db2.gz KSXZFKDEVPPOLG-UHFFFAOYSA-N 0 0 345.811 4.069 50 30 EIEARN C=C(C)C(C)(C)C(=O)NCc1cccnc1Oc1ccccc1OC ZINC000067650159 258011280 /nfs/dbraw/zinc/01/12/80/258011280.db2.gz DSZNVRUTGALPAH-UHFFFAOYSA-N 0 0 340.423 4.101 50 30 EIEARN O=C(Nc1ccc(Cl)cc1)O/N=C1\CCCC[C@H]1Cn1ccnc1 ZINC000000124786 258047199 /nfs/dbraw/zinc/04/71/99/258047199.db2.gz RAVRMCSMBCNRNQ-JEEMYIIMSA-N 0 0 346.818 4.331 50 30 EIEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(C)ccc1C ZINC000007759973 258018079 /nfs/dbraw/zinc/01/80/79/258018079.db2.gz BIBNIRSIHZDGMP-UHFFFAOYSA-N 0 0 347.418 4.182 50 30 EIEARN O=C(/C=C\c1ccco1)c1ccc(-n2nncc2-c2ccccc2)cc1 ZINC000013633263 258056143 /nfs/dbraw/zinc/05/61/43/258056143.db2.gz MVBNDUQXVVTWDY-SEYXRHQNSA-N 0 0 341.370 4.423 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@@H]2c1cccnc1 ZINC000001079470 135653895 /nfs/dbraw/zinc/65/38/95/135653895.db2.gz IUSJMBYQMNDUPV-QGZVFWFLSA-N 0 0 346.430 4.245 50 30 EIEARN C#Cc1cccc(N[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000012537213 518366921 /nfs/dbraw/zinc/36/69/21/518366921.db2.gz GLDCCDMRWMWTTQ-QGZVFWFLSA-N 0 0 347.462 4.097 50 30 EIEARN C(=Nc1nc[nH]n1)c1ccccc1OCc1cccc2ccccc21 ZINC000004510769 518379210 /nfs/dbraw/zinc/37/92/10/518379210.db2.gz FNVVIDGAZDAGLW-CIAFOILYSA-N 0 0 328.375 4.288 50 30 EIEARN C=C(C)COc1ccccc1/C=C1\N=C(c2cccs2)OC1=O ZINC000000276867 518620607 /nfs/dbraw/zinc/62/06/07/518620607.db2.gz PQUHOGOHZOPSQQ-UVTDQMKNSA-N 0 0 325.389 4.048 50 30 EIEARN C=CCNc1nnc(SCc2ncc(-c3ccccc3)o2)s1 ZINC000005784653 518967834 /nfs/dbraw/zinc/96/78/34/518967834.db2.gz ZXAILKZDCSAMMK-UHFFFAOYSA-N 0 0 330.438 4.083 50 30 EIEARN C=CCn1c(C)nnc1SCc1cc(-c2ccc(Cl)cc2)no1 ZINC000014157837 519173837 /nfs/dbraw/zinc/17/38/37/519173837.db2.gz VJXBIYRSGCZWEL-UHFFFAOYSA-N 0 0 346.843 4.373 50 30 EIEARN C=CCn1c(C)nnc1SCc1csc(-c2ccccc2)n1 ZINC000003335808 519174514 /nfs/dbraw/zinc/17/45/14/519174514.db2.gz RDIIBHBJTOTKOT-UHFFFAOYSA-N 0 0 328.466 4.188 50 30 EIEARN C=CCn1c2ccccc2nc1SCCOc1cccc(OC)c1 ZINC000015833365 519269090 /nfs/dbraw/zinc/26/90/90/519269090.db2.gz ZCBKRUCGRJLHNO-UHFFFAOYSA-N 0 0 340.448 4.402 50 30 EIEARN C=CCn1cnnc1S[C@@H](C)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000025253134 519287867 /nfs/dbraw/zinc/28/78/67/519287867.db2.gz OCEWYIHLCIYKNW-KGLIPLIRSA-N 0 0 344.484 4.097 50 30 EIEARN CCCCOc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1 ZINC000002597710 520854211 /nfs/dbraw/zinc/85/42/11/520854211.db2.gz YOZSJSFAWRLZQS-DEDYPNTBSA-N 0 0 345.443 4.325 50 30 EIEARN CCc1nc(C#N)c(N=NCc2ccc(OCc3ccccc3)cc2)o1 ZINC000015226417 522155847 /nfs/dbraw/zinc/15/58/47/522155847.db2.gz DGESSJUJNFFSNS-LPYMAVHISA-N 0 0 346.390 4.134 50 30 EIEARN Cc1ccc(NCc2nnc(SCC#N)n2-c2ccccc2)c(C)c1 ZINC000002074143 525288863 /nfs/dbraw/zinc/28/88/63/525288863.db2.gz CIWAXZYJTLBGPT-UHFFFAOYSA-N 0 0 349.463 4.112 50 30 EIEARN COc1ccc2cc([C@@H](C)C(=O)[C@H](C#N)c3ccccn3)ccc2c1 ZINC000041493399 525635645 /nfs/dbraw/zinc/63/56/45/525635645.db2.gz BQXZDWWLNYWOAJ-AUUYWEPGSA-N 0 0 330.387 4.223 50 30 EIEARN CSc1cccc(F)c1C(=O)N[C@H](C#N)c1ccccc1Cl ZINC000252493913 526102246 /nfs/dbraw/zinc/10/22/46/526102246.db2.gz NGHKRJCTHKCRIZ-CYBMUJFWSA-N 0 0 334.803 4.196 50 30 EIEARN N#CCCN(C(=O)CSc1ccc(Cl)cc1)c1ccccc1 ZINC000003515045 526450114 /nfs/dbraw/zinc/45/01/14/526450114.db2.gz MSEGZWBCDMPLPL-UHFFFAOYSA-N 0 0 330.840 4.379 50 30 EIEARN O=c1oc2ccccc2cc1-c1csc(N=NCc2ccccc2)n1 ZINC000006222633 527499492 /nfs/dbraw/zinc/49/94/92/527499492.db2.gz WSBXKPBLDXNCPA-RGVLZGJSSA-N 0 0 347.399 4.363 50 30 EIEARN Cn1nccc1C(=O)/C=C\c1ccc(COc2cccc(Cl)c2)o1 ZINC000006827533 527592618 /nfs/dbraw/zinc/59/26/18/527592618.db2.gz OWEJTGZWJMEQLZ-FPLPWBNLSA-N 0 0 342.782 4.142 50 30 EIEARN O=C(C=Cc1cccs1)C[C@](O)(c1ccccc1)C(F)(F)F ZINC000016671153 527659185 /nfs/dbraw/zinc/65/91/85/527659185.db2.gz WANRNSKSNHIDKE-CDNLZTBQSA-N 0 0 326.339 4.171 50 30 EIEARN N#Cc1cc2cc(Br)c(Br)cc2cc1C#N ZINC000000431582 563882904 /nfs/dbraw/zinc/88/29/04/563882904.db2.gz YHUVAAVMNCSZQN-UHFFFAOYSA-N 0 0 335.986 4.108 50 30 EIEARN N#Cc1cccc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000170651987 564120565 /nfs/dbraw/zinc/12/05/65/564120565.db2.gz QKVSBSBKCMHKIS-STQMWFEESA-N 0 0 336.279 4.121 50 30 EIEARN CN(C)c1ccc(/C=C\C(=O)c2ccc(Br)cc2)cc1 ZINC000032224196 564161081 /nfs/dbraw/zinc/16/10/81/564161081.db2.gz SPZVDSYBFZXQNI-XGICHPGQSA-N 0 0 330.225 4.411 50 30 EIEARN COC(=O)c1ccc(/N=C/c2cc(C)cc(Br)c2O)cc1 ZINC000000218866 563262345 /nfs/dbraw/zinc/26/23/45/563262345.db2.gz FSSQEIOERQBPQT-GIJQJNRQSA-N 0 0 348.196 4.000 50 30 EIEARN Cc1ccc(C(=O)Nc2ccc(C3(C#N)CCCC3)cc2)cc1[N+](=O)[O-] ZINC000000244093 563265749 /nfs/dbraw/zinc/26/57/49/563265749.db2.gz DPBSVASQHDKNFI-UHFFFAOYSA-N 0 0 349.390 4.491 50 30 EIEARN COc1cc(C(=O)C=CNc2ccccc2Cl)cc(OC)c1OC ZINC000000315104 563282443 /nfs/dbraw/zinc/28/24/43/563282443.db2.gz OFVBPHKOKDGLLB-CMDGGOBGSA-N 0 0 347.798 4.174 50 30 EIEARN Oc1ccccc1/C=N/[C@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000000378211 563299417 /nfs/dbraw/zinc/29/94/17/563299417.db2.gz VCNCKAQNALJQDO-XWRADEMYSA-N 0 0 331.371 4.329 50 30 EIEARN Nc1nc(-c2ccccc2)cn1/N=C/c1ccc(Cl)cc1Cl ZINC000000438294 563313206 /nfs/dbraw/zinc/31/32/06/563313206.db2.gz PLIJWHJNULECHN-AWQFTUOYSA-N 0 0 331.206 4.321 50 30 EIEARN O=C1c2ccccc2N[C@H](c2ccccc2)N1/N=C/c1ccccc1 ZINC000000440737 563313901 /nfs/dbraw/zinc/31/39/01/563313901.db2.gz XDNVQLYIILLRDP-QCBCRBAMSA-N 0 0 327.387 4.287 50 30 EIEARN CCSC(=O)N1C=Cc2ccccc2[C@@]1(C#N)C(=S)SC ZINC000000977111 563366690 /nfs/dbraw/zinc/36/66/90/563366690.db2.gz ODKBYEFFLASHLI-HNNXBMFYSA-N 0 0 334.491 4.255 50 30 EIEARN CN(C)/C=C/C(=O)c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000001406439 563387698 /nfs/dbraw/zinc/38/76/98/563387698.db2.gz PHLLAAIMAXZINU-ZHACJKMWSA-N 0 0 333.790 4.316 50 30 EIEARN Cc1ccc(N2CCN(/N=C/c3cccc4ccccc34)CC2)cc1 ZINC000001743432 563409313 /nfs/dbraw/zinc/40/93/13/563409313.db2.gz NHNKQZNGVJBAFY-HAVVHWLPSA-N 0 0 329.447 4.304 50 30 EIEARN O=C1c2ccccc2C(=O)C1=C(NNc1ccccc1)c1ccccc1 ZINC000002582169 563443224 /nfs/dbraw/zinc/44/32/24/563443224.db2.gz WJBVEZSNEBVULA-UHFFFAOYSA-N 0 0 340.382 4.094 50 30 EIEARN O=C(O/N=C/c1ccc(C#Cc2ccccc2)cc1)c1cccs1 ZINC000003118979 563472796 /nfs/dbraw/zinc/47/27/96/563472796.db2.gz PVTASXJPVIDZBC-RCCKNPSSSA-N 0 0 331.396 4.339 50 30 EIEARN C(=N/c1ccc(N2CCOCC2)cc1)\c1cccn1-c1ccccc1 ZINC000004740769 563509600 /nfs/dbraw/zinc/50/96/00/563509600.db2.gz WEIWZOHHPHLNKX-OQKWZONESA-N 0 0 331.419 4.065 50 30 EIEARN CCOc1cccc(/C=N/c2cc(OC)c(Cl)cc2OC)c1O ZINC000005291478 563525686 /nfs/dbraw/zinc/52/56/86/563525686.db2.gz VWIFFFVFNVPJHU-VXLYETTFSA-N 0 0 335.787 4.212 50 30 EIEARN CC[C@H]1S/C(=N\N=C\c2c3ccccc3cc3ccccc32)NC1=O ZINC000005552401 563539135 /nfs/dbraw/zinc/53/91/35/563539135.db2.gz AGUYRBQUTLKJCE-AGKWGAAGSA-N 0 0 347.443 4.325 50 30 EIEARN Cn1c2ccccc2s/c1=N\N=C\c1c(O)ccc2ccccc21 ZINC000012570162 563663236 /nfs/dbraw/zinc/66/32/36/563663236.db2.gz VADMIUVCICMQLO-DAEVNUGZSA-N 0 0 333.416 4.033 50 30 EIEARN COc1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(C)=O)cc1 ZINC000013110420 563688101 /nfs/dbraw/zinc/68/81/01/563688101.db2.gz VEXNWYFEDRWUDX-UDWIEESQSA-N 0 0 336.347 4.026 50 30 EIEARN COc1ccc(C=C2CCCC(C(=O)C(F)(F)F)=C2O)cc1OC ZINC000013113751 563688166 /nfs/dbraw/zinc/68/81/66/563688166.db2.gz FVDXDDFQXPUFJK-MZFDCTSESA-N 0 0 342.313 4.215 50 30 EIEARN CCOc1ccc(NC=CC(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000013482543 563699578 /nfs/dbraw/zinc/69/95/78/563699578.db2.gz JYGYYQOWHSNLBM-KHPPLWFESA-N 0 0 326.352 4.110 50 30 EIEARN COc1ccc(-c2csc(N=NCc3ccccc3Cl)n2)cc1 ZINC000004475639 563726022 /nfs/dbraw/zinc/72/60/22/563726022.db2.gz SEDUZIIUMXSMRA-UHFFFAOYSA-N 0 0 343.839 4.340 50 30 EIEARN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C1CCC(C)(C)CC1 ZINC000004551115 563769063 /nfs/dbraw/zinc/76/90/63/563769063.db2.gz PYBAFJDTUHDKEU-GZTJUZNOSA-N 0 0 332.360 4.427 50 30 EIEARN CC(=O)C1C(C)=Nc2cc(-c3ccccc3)nn2[C@H]1c1ccccc1 ZINC000015017034 563772656 /nfs/dbraw/zinc/77/26/56/563772656.db2.gz GOFYQWZZPFBBFF-NRFANRHFSA-N 0 0 329.403 4.428 50 30 EIEARN N#CC1(NC(=O)CNc2ccc(Cl)cc2Cl)CCCCCC1 ZINC000032906649 563793003 /nfs/dbraw/zinc/79/30/03/563793003.db2.gz KTGKFKOONCGJCD-UHFFFAOYSA-N 0 0 340.254 4.138 50 30 EIEARN CN(C)c1ccc(C=NOC(=O)Nc2cccc3ccccc32)cc1 ZINC000016671080 563820253 /nfs/dbraw/zinc/82/02/53/563820253.db2.gz KXAVNASIUZFDST-STZFKDTASA-N 0 0 333.391 4.488 50 30 EIEARN Cc1ccc([C@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1 ZINC000017479842 563844729 /nfs/dbraw/zinc/84/47/29/563844729.db2.gz WUKDIDPVRVJYDY-PZJWPPBQSA-N 0 0 341.410 4.401 50 30 EIEARN N#Cc1cccc(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)c1 ZINC000032996573 563921665 /nfs/dbraw/zinc/92/16/65/563921665.db2.gz YFOYUCJSTUEWOA-UHFFFAOYSA-N 0 0 344.374 4.128 50 30 EIEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N(C)C)o3)o2)c1 ZINC000033027196 563930847 /nfs/dbraw/zinc/93/08/47/563930847.db2.gz OGWLMOCXZFYIHP-UHFFFAOYSA-N 0 0 337.379 4.068 50 30 EIEARN CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O ZINC000013653679 563931400 /nfs/dbraw/zinc/93/14/00/563931400.db2.gz XXGVHQWUCODSOY-YVLHZVERSA-N 0 0 340.350 4.393 50 30 EIEARN N#CC1CCC(CNC(=O)Nc2ccc(-c3nccs3)cc2)CC1 ZINC000282668197 563951361 /nfs/dbraw/zinc/95/13/61/563951361.db2.gz KFUMDSYBYWWILB-UHFFFAOYSA-N 0 0 340.452 4.262 50 30 EIEARN COC[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C#N)cc3C)cc2)C1 ZINC000584892317 563966923 /nfs/dbraw/zinc/96/69/23/563966923.db2.gz GUTQSDLABOSPLR-SFHVURJKSA-N 0 0 348.446 4.032 50 30 EIEARN C=C(C)C[C@H](C)C(=O)N1CCC(Cc2nc(C(C)(C)C)co2)CC1 ZINC000585139451 563972657 /nfs/dbraw/zinc/97/26/57/563972657.db2.gz BVGJFQWXGYDECF-HNNXBMFYSA-N 0 0 332.488 4.356 50 30 EIEARN Cc1nc(-c2cccc(C(F)(F)F)c2)sc1C(=O)/C=C/N(C)C ZINC000096179465 563980025 /nfs/dbraw/zinc/98/00/25/563980025.db2.gz FYSJNJXLJWGIQD-BQYQJAHWSA-N 0 0 340.370 4.395 50 30 EIEARN N#Cc1cccc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)c1 ZINC000071750297 563982981 /nfs/dbraw/zinc/98/29/81/563982981.db2.gz ZKXHADHRSMHSHY-KRWDZBQOSA-N 0 0 336.410 4.182 50 30 EIEARN N#Cc1cccc(-c2nccn2CCc2nc3cc(Cl)ccc3[nH]2)c1 ZINC000071754548 563982991 /nfs/dbraw/zinc/98/29/91/563982991.db2.gz DITNRTTTZLFJKC-UHFFFAOYSA-N 0 0 347.809 4.194 50 30 EIEARN O=C1CCCC2=C1[C@@H](c1cccs1)CC(=O)N2c1ccc(F)cc1 ZINC000000110421 563986650 /nfs/dbraw/zinc/98/66/50/563986650.db2.gz AISWRMOFZCCZJZ-CQSZACIVSA-N 0 0 341.407 4.415 50 30 EIEARN COc1ccc([C@@]2(C#N)CCc3c4ccccc4[nH]c3C2)cc1OC ZINC000000186789 563988043 /nfs/dbraw/zinc/98/80/43/563988043.db2.gz BLUPUXFRAOZHHQ-NRFANRHFSA-N 0 0 332.403 4.135 50 30 EIEARN COc1ccc([C@@]2(C#N)CCc3[nH]c4ccccc4c3C2)cc1OC ZINC000000197795 563988288 /nfs/dbraw/zinc/98/82/88/563988288.db2.gz KQYRDYGVRCCLNT-NRFANRHFSA-N 0 0 332.403 4.135 50 30 EIEARN N#Cc1ccc(NC(=O)c2cccc(Br)c2)cc1Cl ZINC000000030309 563996015 /nfs/dbraw/zinc/99/60/15/563996015.db2.gz BEJFCZKSANVYJJ-UHFFFAOYSA-N 0 0 335.588 4.226 50 30 EIEARN CCOc1ccc(-c2nnc(SCc3cccc(C#N)c3)o2)cc1 ZINC000005170208 563999866 /nfs/dbraw/zinc/99/98/66/563999866.db2.gz ZLVZKSWKUCDGLL-UHFFFAOYSA-N 0 0 337.404 4.299 50 30 EIEARN CC(N=Nc1nc(-c2cccc(O)c2)cs1)c1cccc(O)c1 ZINC000005242928 564001505 /nfs/dbraw/zinc/00/15/05/564001505.db2.gz XFCFAVQQPKEFRX-YBFXNURJSA-N 0 0 325.393 4.057 50 30 EIEARN CC(C)(C)N1C(=O)C/C(=N/O)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000005284022 564002400 /nfs/dbraw/zinc/00/24/00/564002400.db2.gz VPVRQNJBERSBNZ-HVOBPNNYSA-N 0 0 329.227 4.286 50 30 EIEARN C[C@@H](Sc1nc2ccccc2s1)C(=O)NC1(C#N)CCCCC1 ZINC000005629334 564006753 /nfs/dbraw/zinc/00/67/53/564006753.db2.gz JXBLCSJAPDBICB-GFCCVEGCSA-N 0 0 345.493 4.120 50 30 EIEARN CC1=NOC(=O)/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000008572781 564007118 /nfs/dbraw/zinc/00/71/18/564007118.db2.gz JSETZDOAHLVIOA-YBEGLDIGSA-N 0 0 327.767 4.235 50 30 EIEARN C#CCN(Cc1ccccc1Cl)C(=O)/C=C/c1cccc(F)c1 ZINC000058004086 564015807 /nfs/dbraw/zinc/01/58/07/564015807.db2.gz MBHDVKZCCRWWBV-ZHACJKMWSA-N 0 0 327.786 4.154 50 30 EIEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@@H](c3cccs3)[C@@H]12 ZINC000018116172 564018110 /nfs/dbraw/zinc/01/81/10/564018110.db2.gz VNQPVGLEMOTYAH-QZTJIDSGSA-N 0 0 333.412 4.154 50 30 EIEARN COc1ccccc1NC=C(C(=O)c1ccccc1)C(=O)C(F)(F)F ZINC000103655331 564022939 /nfs/dbraw/zinc/02/29/39/564022939.db2.gz IBJNZZDZFVFVKQ-ACCUITESSA-N 0 0 349.308 4.005 50 30 EIEARN C=C(C)CSc1nc2sc3c(c2c(N)n1)C[C@@H](CCC)OC3 ZINC000000553967 564023095 /nfs/dbraw/zinc/02/30/95/564023095.db2.gz QOLZBVOQBMFWPJ-SNVBAGLBSA-N 0 0 335.498 4.183 50 30 EIEARN Cc1cc(C=O)c(C)n1-c1ccc(OCc2ccc(C#N)cc2)cc1 ZINC000000555345 564023118 /nfs/dbraw/zinc/02/31/18/564023118.db2.gz RDOLSLSRFHINII-UHFFFAOYSA-N 0 0 330.387 4.357 50 30 EIEARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)c2ccccc2)c1C#N ZINC000005724512 564024033 /nfs/dbraw/zinc/02/40/33/564024033.db2.gz BZLXQCCRJFNKNP-UHFFFAOYSA-N 0 0 329.403 4.277 50 30 EIEARN C=C(C)COc1cccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000110277350 564024626 /nfs/dbraw/zinc/02/46/26/564024626.db2.gz NMDIECXLCYUGON-UHFFFAOYSA-N 0 0 346.770 4.455 50 30 EIEARN Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2O)cc1 ZINC000005738563 564024737 /nfs/dbraw/zinc/02/47/37/564024737.db2.gz UETHIFLWBSWERZ-UHFFFAOYSA-N 0 0 327.387 4.272 50 30 EIEARN CSc1ccc(C/N=C/c2cc(Br)ccc2O)cc1 ZINC000044835642 564027262 /nfs/dbraw/zinc/02/72/62/564027262.db2.gz BJEBJXDTSHBGTI-LICLKQGHSA-N 0 0 336.254 4.496 50 30 EIEARN CSc1cc(C(=O)Nc2ccccc2SCCC#N)ccn1 ZINC000108199205 564028047 /nfs/dbraw/zinc/02/80/47/564028047.db2.gz LSBDXUKFHVVYHI-UHFFFAOYSA-N 0 0 329.450 4.062 50 30 EIEARN COc1ccc(/C=C/C(=O)c2sc(C(C)(C)C)nc2C)cc1O ZINC000048276142 564030604 /nfs/dbraw/zinc/03/06/04/564030604.db2.gz FWNCHNJWBGEOSV-SOFGYWHQSA-N 0 0 331.437 4.359 50 30 EIEARN COc1ccc(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)cc1 ZINC000005376415 564032071 /nfs/dbraw/zinc/03/20/71/564032071.db2.gz LJJOIVLKNXNBJT-BOPFTXTBSA-N 0 0 338.432 4.204 50 30 EIEARN Cn1ccc2cc(-c3cccc(C(=O)N4CCC[C@@H](C#N)C4)c3)ccc21 ZINC000426635305 564051431 /nfs/dbraw/zinc/05/14/31/564051431.db2.gz IZXCBQIRGGUCNB-INIZCTEOSA-N 0 0 343.430 4.221 50 30 EIEARN N#Cc1ccc(OCCOC(=O)c2cc3cc(Cl)ccc3o2)cc1 ZINC000018751203 564052609 /nfs/dbraw/zinc/05/26/09/564052609.db2.gz LKPPQXTXGCNXOP-UHFFFAOYSA-N 0 0 341.750 4.194 50 30 EIEARN Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000000894734 564052690 /nfs/dbraw/zinc/05/26/90/564052690.db2.gz OGZJIMTUUYDDKH-UHFFFAOYSA-N 0 0 340.448 4.215 50 30 EIEARN COc1cc(C#N)cc(Br)c1OCc1cccc(F)c1 ZINC000001059281 564054274 /nfs/dbraw/zinc/05/42/74/564054274.db2.gz LQDAQBRKTSFRKS-UHFFFAOYSA-N 0 0 336.160 4.047 50 30 EIEARN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3[C@H](C)CC4=CC(=O)CC[C@H]4[C@H]3CC[C@]12C ZINC000257356534 564055947 /nfs/dbraw/zinc/05/59/47/564055947.db2.gz IVCRCPJOLWECJU-SQRIWIIMSA-N 0 0 330.468 4.306 50 30 EIEARN C[C@H](C(=O)NC1CCCC1)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000082094253 564056226 /nfs/dbraw/zinc/05/62/26/564056226.db2.gz TYIBTRVUYRMDPT-GFCCVEGCSA-N 0 0 328.378 4.425 50 30 EIEARN N#CC1(C#N)[C@@H](c2cccc(F)c2)[C@@H]1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005892512 564056814 /nfs/dbraw/zinc/05/68/14/564056814.db2.gz FBHBGRMZWXDZHZ-QEYVCBHNSA-N 0 0 348.421 4.358 50 30 EIEARN COc1ccc(-c2cnc(SCC#N)n2-c2ccc(F)cc2)cc1 ZINC000044087001 564059530 /nfs/dbraw/zinc/05/95/30/564059530.db2.gz BFVXIJHGCRUWCM-UHFFFAOYSA-N 0 0 339.395 4.303 50 30 EIEARN N#Cc1ccc(OCc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000012603878 564060478 /nfs/dbraw/zinc/06/04/78/564060478.db2.gz ZKKWLNZMLJYFSS-UHFFFAOYSA-N 0 0 325.371 4.476 50 30 EIEARN CCC1(CC)C[C@H]1CNC(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000534587783 564061189 /nfs/dbraw/zinc/06/11/89/564061189.db2.gz JILBUMDBXJFDTH-SFHVURJKSA-N 0 0 339.483 4.080 50 30 EIEARN CCOc1cccc(-c2nnc(NC(=O)c3cccs3)s2)c1 ZINC000001260289 564062751 /nfs/dbraw/zinc/06/27/51/564062751.db2.gz CODBTSQEMJJQIS-UHFFFAOYSA-N 0 0 331.422 4.302 50 30 EIEARN N#Cc1ccc(Cn2cc(C(=O)C(F)(F)F)c3ccccc32)cc1 ZINC000002504056 564062760 /nfs/dbraw/zinc/06/27/60/564062760.db2.gz RDBWVZPLQYOHSY-UHFFFAOYSA-N 0 0 328.293 4.306 50 30 EIEARN CC[C@H](c1ccncc1)n1ccnc1-c1ccc(C#CC(C)(C)O)cc1 ZINC000071388628 564063778 /nfs/dbraw/zinc/06/37/78/564063778.db2.gz SYMJUACITWLFCK-HXUWFJFHSA-N 0 0 345.446 4.067 50 30 EIEARN N#Cc1ccc(Oc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1 ZINC000001391098 564064392 /nfs/dbraw/zinc/06/43/92/564064392.db2.gz YZUJNNMUOIKPGI-UHFFFAOYSA-N 0 0 342.280 4.221 50 30 EIEARN COc1cc(C#N)c(NC(=S)Nc2cc(C)cc(C)c2)cc1OC ZINC000001394204 564064431 /nfs/dbraw/zinc/06/44/31/564064431.db2.gz DXHPNIUXEYPZEG-UHFFFAOYSA-N 0 0 341.436 4.001 50 30 EIEARN N#Cc1ccc(-c2ccc(Cl)cc2)n(Cc2ccc(F)cc2)c1=O ZINC000001402958 564065099 /nfs/dbraw/zinc/06/50/99/564065099.db2.gz SYSDWHUJGJBAEW-UHFFFAOYSA-N 0 0 338.769 4.228 50 30 EIEARN C#Cc1ccc(C#Cc2ccc(C#Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000082049669 564065336 /nfs/dbraw/zinc/06/53/36/564065336.db2.gz FFQJHGIWALAWCI-UHFFFAOYSA-N 0 0 347.373 4.376 50 30 EIEARN N#Cc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(F)c2)c1 ZINC000012752852 564067135 /nfs/dbraw/zinc/06/71/35/564067135.db2.gz RIXSSLWOGZZGKW-HXUWFJFHSA-N 0 0 343.361 4.468 50 30 EIEARN N#Cc1ccccc1N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000084497796 564068292 /nfs/dbraw/zinc/06/82/92/564068292.db2.gz CSWSVZLQRUWMOO-UHFFFAOYSA-N 0 0 348.837 4.086 50 30 EIEARN O=C(NCC#Cc1ccccc1)C1(c2cccc(F)c2)CCCCC1 ZINC000084517711 564068374 /nfs/dbraw/zinc/06/83/74/564068374.db2.gz MYHNWCZAFFYKSN-UHFFFAOYSA-N 0 0 335.422 4.196 50 30 EIEARN C[C@H](NC(=O)CSc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000084656550 564069415 /nfs/dbraw/zinc/06/94/15/564069415.db2.gz JAUKRKSNLCFTDI-LBPRGKRZSA-N 0 0 330.840 4.181 50 30 EIEARN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)SC1=Nc2ccccc2CS1 ZINC000012781025 564069980 /nfs/dbraw/zinc/06/99/80/564069980.db2.gz PPAFTIFTZXTVKH-PXAZEXFGSA-N 0 0 347.509 4.097 50 30 EIEARN CCOC(=O)c1ccc(C#N)c(S[C@@H]2CCCc3ccccc32)n1 ZINC000084798521 564070301 /nfs/dbraw/zinc/07/03/01/564070301.db2.gz IKHZZJZIRKQFID-QGZVFWFLSA-N 0 0 338.432 4.300 50 30 EIEARN C=CCc1cccc2cc(C(=O)NCCC3=CCCCC3)c(=O)oc21 ZINC000000105763 564074496 /nfs/dbraw/zinc/07/44/96/564074496.db2.gz DJMBEBMYQHKRGD-UHFFFAOYSA-N 0 0 337.419 4.142 50 30 biogenic EIEARN C=CCn1c2c(c(=S)nc1-c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000000202441 564074521 /nfs/dbraw/zinc/07/45/21/564074521.db2.gz GLNKICJPOOVXIG-UHFFFAOYSA-N 0 0 327.409 4.253 50 30 EIEARN C=CCn1c(SCc2ccccc2)nc2sc(CC)cc2c1=O ZINC000000279940 564074534 /nfs/dbraw/zinc/07/45/34/564074534.db2.gz ONRTZWUVSVJWFI-UHFFFAOYSA-N 0 0 342.489 4.499 50 30 EIEARN C#CCSc1nccc(-c2cc(-c3ccc(Cl)cc3)no2)n1 ZINC000002143864 564074820 /nfs/dbraw/zinc/07/48/20/564074820.db2.gz MJBGMUAHEKKYQO-UHFFFAOYSA-N 0 0 327.796 4.177 50 30 EIEARN COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc3ncccc3c1)C2 ZINC000085878058 564075165 /nfs/dbraw/zinc/07/51/65/564075165.db2.gz KXDAEFRBZJGKHM-SXGWCWSVSA-N 0 0 331.371 4.074 50 30 biogenic EIEARN O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(Cl)c3cccnc23)c1 ZINC000254869223 564076565 /nfs/dbraw/zinc/07/65/65/564076565.db2.gz SMIHUVQXPFKXJE-UHFFFAOYSA-N 0 0 327.727 4.253 50 30 EIEARN C#CCSc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2 ZINC000018116221 564077333 /nfs/dbraw/zinc/07/73/33/564077333.db2.gz NKYSCVCHOFSWQV-UHFFFAOYSA-N 0 0 336.460 4.333 50 30 biogenic EIEARN Cc1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)c(O)c1 ZINC000024958874 564078932 /nfs/dbraw/zinc/07/89/32/564078932.db2.gz VLQWGKLCXRTIOH-UHFFFAOYSA-N 0 0 327.383 4.353 50 30 EIEARN COc1cccc([C@H](C)N(Cc2ccccc2C#N)c2cnn(C)c2)c1 ZINC000075094049 564079943 /nfs/dbraw/zinc/07/99/43/564079943.db2.gz FINKKKDUBWYEIT-INIZCTEOSA-N 0 0 346.434 4.068 50 30 EIEARN N#CNC1=N[C@H](c2ccccc2)C2=C(N1)C(=Cc1ccccc1)CCC2 ZINC000102792658 564086593 /nfs/dbraw/zinc/08/65/93/564086593.db2.gz LGUAJZZMPFHDJE-BKHFDQEPSA-N 0 0 340.430 4.279 50 30 EIEARN Clc1ccccc1C=NN1CCN(Cc2ccccc2Cl)CC1 ZINC000243893728 564088545 /nfs/dbraw/zinc/08/85/45/564088545.db2.gz ATINJQLEUWXRMA-UHFFFAOYSA-N 0 0 348.277 4.145 50 30 EIEARN O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc([N+](=O)[O-])cc1 ZINC000001838495 564088800 /nfs/dbraw/zinc/08/88/00/564088800.db2.gz WRTUBJZHGQTRHY-ZROIWOOFSA-N 0 0 343.339 4.466 50 30 EIEARN COc1cc(C#N)ccc1OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000006466111 564089419 /nfs/dbraw/zinc/08/94/19/564089419.db2.gz PQLUGQWHBMIMNC-UHFFFAOYSA-N 0 0 343.382 4.496 50 30 EIEARN CC(=O)[C@]12O[C@@]1(C)C[C@@H]1[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253501525 564089504 /nfs/dbraw/zinc/08/95/04/564089504.db2.gz CBOGURZXXNBKGU-GOKHRRGNSA-N 0 0 346.511 4.117 50 30 EIEARN N#CC(C(=O)C1c2ccccc2Oc2ccccc21)c1ccccn1 ZINC000006831267 564099170 /nfs/dbraw/zinc/09/91/70/564099170.db2.gz HNGNLLARLWHQII-INIZCTEOSA-N 0 0 326.355 4.196 50 30 EIEARN CN(C(=O)c1csc(-c2cc3ccccc3o2)n1)C1(C#N)CCC1 ZINC000169983867 564104039 /nfs/dbraw/zinc/10/40/39/564104039.db2.gz NCVQLQXVRNAEDS-UHFFFAOYSA-N 0 0 337.404 4.075 50 30 EIEARN N#CCCCOc1cccnc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000065562712 564106971 /nfs/dbraw/zinc/10/69/71/564106971.db2.gz BWCPKVDODLASBJ-UHFFFAOYSA-N 0 0 349.312 4.035 50 30 EIEARN N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccccn3)cc2)cc1 ZINC000065624829 564108558 /nfs/dbraw/zinc/10/85/58/564108558.db2.gz OUXNKOMCKQJCGT-UHFFFAOYSA-N 0 0 344.374 4.067 50 30 EIEARN Cc1ccccc1NC(=O)CON=C1c2ccccc2-c2ccccc21 ZINC000014354294 564112440 /nfs/dbraw/zinc/11/24/40/564112440.db2.gz FBCNOPISFAGNIK-UHFFFAOYSA-N 0 0 342.398 4.383 50 30 EIEARN N#Cc1cnc2ccc(Cl)cc2c1Nc1ccc2c(c1)OCCO2 ZINC000016840732 564113778 /nfs/dbraw/zinc/11/37/78/564113778.db2.gz ODQXRHLSHZUNBJ-UHFFFAOYSA-N 0 0 337.766 4.275 50 30 EIEARN CC(=O)c1ccc(Oc2ccc(C(=O)N(C)[C@@H](C)CC#N)cc2)cc1 ZINC000089849341 564114369 /nfs/dbraw/zinc/11/43/69/564114369.db2.gz YEDQWONEGMZXFM-AWEZNQCLSA-N 0 0 336.391 4.056 50 30 EIEARN CCN(C(=O)[C@H](C)Oc1ccc(C)cc1)c1ccc(C#N)c(Cl)c1 ZINC000089969433 564115974 /nfs/dbraw/zinc/11/59/74/564115974.db2.gz DUGRMQMIOOKQDH-AWEZNQCLSA-N 0 0 342.826 4.341 50 30 EIEARN Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC#N)nn1 ZINC000016992109 564116007 /nfs/dbraw/zinc/11/60/07/564116007.db2.gz SGUWWECTRHCFKN-UHFFFAOYSA-N 0 0 342.424 4.330 50 30 EIEARN Cc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2Cl)c1 ZINC000006055717 564116385 /nfs/dbraw/zinc/11/63/85/564116385.db2.gz RWSJDDRYTSLTPA-VCHYOVAHSA-N 0 0 328.828 4.452 50 30 EIEARN C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(O)=C(C=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000253529470 564118271 /nfs/dbraw/zinc/11/82/71/564118271.db2.gz ICMWWNHDUZJFDW-CSOFJWJGSA-N 0 0 332.484 4.401 50 30 in-vitro EIEARN Cc1ccc(C=Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)o1 ZINC000252462803 564118787 /nfs/dbraw/zinc/11/87/87/564118787.db2.gz WLNSNZAFLJNLGK-UHFFFAOYSA-N 0 0 338.432 4.398 50 30 EIEARN CCOc1ccc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)cc1 ZINC000252617575 564122195 /nfs/dbraw/zinc/12/21/95/564122195.db2.gz KWAZHKZKMKKBCG-KLAKZEAMSA-N 0 0 338.432 4.319 50 30 EIEARN CCOc1ccc2cc(C(=O)[C@H](C#N)c3nc4ccccc4o3)[nH]c2c1 ZINC000054736545 564122864 /nfs/dbraw/zinc/12/28/64/564122864.db2.gz PSVYRMZTACVYGH-AWEZNQCLSA-N 0 0 345.358 4.198 50 30 EIEARN CC(C)(C)c1cc(CN=Nc2cnccn2)cc(C(C)(C)C)c1O ZINC000252626056 564123316 /nfs/dbraw/zinc/12/33/16/564123316.db2.gz QVGZGEGDNGWUQQ-UHFFFAOYSA-N 0 0 326.444 4.223 50 30 EIEARN C[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000195542194 564123671 /nfs/dbraw/zinc/12/36/71/564123671.db2.gz INLUBLYHKVOUGL-JTQLQIEISA-N 0 0 336.288 4.207 50 30 EIEARN Oc1ccc(Br)cc1C=NNc1cccc2cccnc21 ZINC000252639843 564124631 /nfs/dbraw/zinc/12/46/31/564124631.db2.gz YODBRDORVMQDHR-UHFFFAOYSA-N 0 0 342.196 4.149 50 30 EIEARN C=C(OC)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]21C ZINC000071770495 564129472 /nfs/dbraw/zinc/12/94/72/564129472.db2.gz CDDWHDDTCIDDRY-VOFPXKNKSA-N 0 0 342.479 4.330 50 30 EIEARN C=CCOc1ccccc1/C=C1/SC(N2CCCCCC2)=NC1=O ZINC000002292343 564131732 /nfs/dbraw/zinc/13/17/32/564131732.db2.gz FWMGFUVLBHFNJA-SAPNQHFASA-N 0 0 342.464 4.098 50 30 EIEARN CSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccco2)c1C#N ZINC000000033020 564132722 /nfs/dbraw/zinc/13/27/22/564132722.db2.gz QLKLGCRRTODTTR-UHFFFAOYSA-N 0 0 349.415 4.496 50 30 EIEARN COc1nc(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)c1C#N ZINC000000079769 564132766 /nfs/dbraw/zinc/13/27/66/564132766.db2.gz ZGTDCHGEJFYKTO-UHFFFAOYSA-N 0 0 330.343 4.025 50 30 EIEARN N#Cc1ccc(CNC(=S)Nc2cc(Cl)ccc2Cl)cc1 ZINC000000097750 564132806 /nfs/dbraw/zinc/13/28/06/564132806.db2.gz QSZCLBNPIVWHSL-UHFFFAOYSA-N 0 0 336.247 4.352 50 30 EIEARN CC(C)c1cc(NC[C@H]2CCCO2)n2c3ccccc3nc2c1C#N ZINC000000522120 564133370 /nfs/dbraw/zinc/13/33/70/564133370.db2.gz YGCYWUNZOBNWJZ-CQSZACIVSA-N 0 0 334.423 4.073 50 30 EIEARN N#Cc1c(NC(=O)Cc2ccc(Cl)cc2)sc2c1CCCC2 ZINC000000566945 564133425 /nfs/dbraw/zinc/13/34/25/564133425.db2.gz JSTUEEDSHHJVKU-UHFFFAOYSA-N 0 0 330.840 4.333 50 30 EIEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@H](c3ccccc3)[C@H]12 ZINC000013102766 564133887 /nfs/dbraw/zinc/13/38/87/564133887.db2.gz CJFWICNRVVUMQB-ICSRJNTNSA-N 0 0 327.383 4.093 50 30 EIEARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000012655343 564135393 /nfs/dbraw/zinc/13/53/93/564135393.db2.gz LMVLICSGVDWDSM-MWBLKNHISA-N 0 0 344.495 4.037 50 30 biogenic EIEARN CSc1ccc([C@@H](C)NC(=O)N2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000328587866 564136595 /nfs/dbraw/zinc/13/65/95/564136595.db2.gz CPMPJKAWXRUTMM-KDOFPFPSSA-N 0 0 348.512 4.275 50 30 EIEARN O=C(Nc1cc(Cl)c(Cl)cn1)N1CCC[C@H]1c1ccncc1 ZINC000328595278 564136835 /nfs/dbraw/zinc/13/68/35/564136835.db2.gz PZIQFXCUAKMORX-ZDUSSCGKSA-N 0 0 337.210 4.166 50 30 EIEARN N#CCCSc1ccccc1NC(=O)Cc1noc2ccccc21 ZINC000095953524 564142426 /nfs/dbraw/zinc/14/24/26/564142426.db2.gz OTVYOSIKQWWABA-UHFFFAOYSA-N 0 0 337.404 4.015 50 30 EIEARN CC(C)n1ccnc1CNc1cccc(Oc2ccc(C#N)cn2)c1 ZINC000095965297 564142924 /nfs/dbraw/zinc/14/29/24/564142924.db2.gz ABWQWPOXBUZPPB-UHFFFAOYSA-N 0 0 333.395 4.135 50 30 EIEARN CC(=NNc1cccc(F)c1)c1cc2c(C)cc(=O)oc2c(C)c1O ZINC000096343872 564146797 /nfs/dbraw/zinc/14/67/97/564146797.db2.gz SYVZLAULMRGECK-CIAFOILYSA-N 0 0 340.354 4.091 50 30 EIEARN CC(C)OCCCNc1oc([C@H]2C[C@@H]2c2ccccc2)nc1C#N ZINC000096346452 564146881 /nfs/dbraw/zinc/14/68/81/564146881.db2.gz BQNVNLGDIVYEEB-CVEARBPZSA-N 0 0 325.412 4.044 50 30 EIEARN C[C@H]1CCc2c(sc3ncnc(OCc4ccc(C#N)cc4)c23)C1 ZINC000002640049 564151662 /nfs/dbraw/zinc/15/16/62/564151662.db2.gz MFFOTGKCVMQEOR-LBPRGKRZSA-N 0 0 335.432 4.267 50 30 EIEARN C=CCN1C(=O)/C(=C\c2ccc(OCCCC)cc2)SC1=S ZINC000002674187 564152084 /nfs/dbraw/zinc/15/20/84/564152084.db2.gz MLZAKZCNEUDPCP-NTCAYCPXSA-N 0 0 333.478 4.253 50 30 EIEARN CCc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C#N)c3N2)s1 ZINC000002747885 564152426 /nfs/dbraw/zinc/15/24/26/564152426.db2.gz NWPUUVVZNBQRDQ-JQWIXIFHSA-N 0 0 326.347 4.039 50 30 EIEARN C=CCNC(=O)c1cc(-c2ccc3ccccc3n2)nc2ccccc21 ZINC000003072991 564155003 /nfs/dbraw/zinc/15/50/03/564155003.db2.gz UJFNLHTVVGSVRD-UHFFFAOYSA-N 0 0 339.398 4.366 50 30 EIEARN CSc1nc(-c2cccs2)c(C(=O)C(F)(F)F)cc1C#N ZINC000003174870 564155654 /nfs/dbraw/zinc/15/56/54/564155654.db2.gz QKIPVTRIKZEYSB-UHFFFAOYSA-N 0 0 328.340 4.149 50 30 EIEARN CCOc1ccc(C(=O)c2c(C)c(CCC#N)n3ccccc23)cc1 ZINC000003236454 564156401 /nfs/dbraw/zinc/15/64/01/564156401.db2.gz FGDFGJJBTZHPIP-UHFFFAOYSA-N 0 0 332.403 4.334 50 30 EIEARN N#Cc1ccc(COC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000003279062 564156891 /nfs/dbraw/zinc/15/68/91/564156891.db2.gz MFXOFHDVQPHGCV-UHFFFAOYSA-N 0 0 331.824 4.437 50 30 EIEARN N#Cc1ccc(OC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000003360194 564157656 /nfs/dbraw/zinc/15/76/56/564157656.db2.gz PMCSMMHGYWXPDI-UHFFFAOYSA-N 0 0 336.572 4.193 50 30 EIEARN N#Cc1c2c(c(C3CCCCC3)nc1NC[C@@H]1CCCO1)CCC2 ZINC000031807699 564159872 /nfs/dbraw/zinc/15/98/72/564159872.db2.gz QGINNPQBNFKDIK-HNNXBMFYSA-N 0 0 325.456 4.081 50 30 EIEARN N#Cc1ccc(COc2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000008120931 564162821 /nfs/dbraw/zinc/16/28/21/564162821.db2.gz NJOMUQOMLBMRLI-UHFFFAOYSA-N 0 0 328.371 4.390 50 30 EIEARN CCOc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1OC(F)F ZINC000008126536 564162895 /nfs/dbraw/zinc/16/28/95/564162895.db2.gz ANUPRAKQZPICGV-UHFFFAOYSA-N 0 0 346.333 4.005 50 30 EIEARN C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)c2ccccc2)cc1OC ZINC000008181674 564163367 /nfs/dbraw/zinc/16/33/67/564163367.db2.gz IWQLIRACBOKQBJ-BYIUCRAPSA-N 0 0 337.419 4.151 50 30 EIEARN COc1cccc(/C=C/c2nc(C#N)c(NCCc3ccccc3)o2)c1 ZINC000008494533 564165457 /nfs/dbraw/zinc/16/54/57/564165457.db2.gz YDYLSJVZSQKVIN-ZHACJKMWSA-N 0 0 345.402 4.380 50 30 EIEARN N#C[C@H](C(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1ccccn1 ZINC000067601487 564166167 /nfs/dbraw/zinc/16/61/67/564166167.db2.gz LJBZLAFZJLRPFY-AWEZNQCLSA-N 0 0 330.309 4.008 50 30 EIEARN CCOc1ccccc1-c1nnc(SCc2ccccc2C#N)o1 ZINC000008709192 564166590 /nfs/dbraw/zinc/16/65/90/564166590.db2.gz UUKBOCVWSYICLJ-UHFFFAOYSA-N 0 0 337.404 4.299 50 30 EIEARN C=CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2cnco2)cc1 ZINC000069615351 564170888 /nfs/dbraw/zinc/17/08/88/564170888.db2.gz JOESTQNSGORADB-UHFFFAOYSA-N 0 0 343.386 4.042 50 30 EIEARN CO[C@@](C)(C(=O)C(C#N)c1nc2ccccc2s1)c1ccccc1 ZINC000069697512 564171501 /nfs/dbraw/zinc/17/15/01/564171501.db2.gz DNKHGTCLNNKHFC-IFXJQAMLSA-N 0 0 336.416 4.034 50 30 EIEARN N#Cc1cccc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)c1 ZINC000069699009 564171562 /nfs/dbraw/zinc/17/15/62/564171562.db2.gz DNPHKJSOZXTHAU-OAHLLOKOSA-N 0 0 345.402 4.105 50 30 EIEARN Cc1nn(CC(C)C)c(Cl)c1/C=C\C(=O)c1cccc([N+](=O)[O-])c1 ZINC000096766519 1022527154 /nfs/dbraw/zinc/52/71/54/1022527154.db2.gz WVOLRSWLTOIPKI-FPLPWBNLSA-N 0 0 347.802 4.305 50 30 EIEARN O=C(N[C@@H]1CCCOc2c(F)cccc21)[C@H]1CCC(=O)c2cccn21 ZINC000329858888 1023607431 /nfs/dbraw/zinc/60/74/31/1023607431.db2.gz OJHILOWLEBEIPC-GDBMZVCRSA-N 0 0 342.370 4.015 50 30 EIEARN COc1cc(C(=O)/C=C\c2cccc(Br)c2)ccc1O ZINC000033474371 1025849285 /nfs/dbraw/zinc/84/92/85/1025849285.db2.gz AZFXALXSKKXEIX-ALCCZGGFSA-N 0 0 333.181 4.059 50 30 EIEARN CC(=O)c1cccc(N2Cc3ccccc3C2=NC(=O)c2ccco2)c1 ZINC000254591315 1035776616 /nfs/dbraw/zinc/77/66/16/1035776616.db2.gz BLCPGQSXZPPZSR-UHFFFAOYSA-N 0 0 344.370 4.089 50 30 EIEARN NC(Cc1ccccc1Cl)=NOCc1cc(-c2ccccc2)no1 ZINC000058497733 1037825718 /nfs/dbraw/zinc/82/57/18/1037825718.db2.gz OZGGKFCGEJVLEU-UHFFFAOYSA-N 0 0 341.798 4.027 50 30 EIEARN O=C(Nc1cccc(/C=C2/CCc3ccccc3C2=O)c1)C(F)(F)F ZINC000096931042 1039835671 /nfs/dbraw/zinc/83/56/71/1039835671.db2.gz HAVBZQVEHNMZOR-UVTDQMKNSA-N 0 0 345.320 4.400 50 30 EIEARN O=C(/C=C/c1cccc(F)c1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000084609789 1041235837 /nfs/dbraw/zinc/23/58/37/1041235837.db2.gz HFEWLATXTRWJNL-ACCUITESSA-N 0 0 342.373 4.272 50 30 EIEARN COc1cc(/C=C\C(=O)c2cccnc2)cc(Cl)c1OC(F)F ZINC000096766370 1041611173 /nfs/dbraw/zinc/61/11/73/1041611173.db2.gz MNDRZQHPQMSQKK-PLNGDYQASA-N 0 0 339.725 4.241 50 30 EIEARN C/C=C\C=NN=CC1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 ZINC000606347721 1043067630 /nfs/dbraw/zinc/06/76/30/1043067630.db2.gz ZOSMWBUNXSKXKF-WVGZTGQRSA-N 0 0 335.451 4.083 50 30 EIEARN Cn1c2ccccc2sc1=NN=C/C(Cl)=C/c1ccccc1 ZINC000606347147 1043068229 /nfs/dbraw/zinc/06/82/29/1043068229.db2.gz IFIRIFLTRRVWJQ-RLNUMUMKSA-N 0 0 327.840 4.406 50 30 EIEARN O=C(/C=C\c1ccc(Br)cc1F)c1ccc2c(c1)OCO2 ZINC000033474241 1047340993 /nfs/dbraw/zinc/34/09/93/1047340993.db2.gz ILYOKNCYTNBPED-DJWKRKHSSA-N 0 0 349.155 4.213 50 30 EIEARN c1ccc2c(c1)CCC/C2=N/OCO/N=C1/CCCc2ccccc21 ZINC000042378122 1048884546 /nfs/dbraw/zinc/88/45/46/1048884546.db2.gz MNLLNPWQXZXYKH-YEUCEMRASA-N 0 0 334.419 4.458 50 30 EIEARN O=[N+]([O-])c1ccc(C=Nc2ccccc2-c2nc3ccccc3[nH]2)o1 ZINC000952959869 1049681372 /nfs/dbraw/zinc/68/13/72/1049681372.db2.gz ZKLXFXIKBGIJNS-UHFFFAOYSA-N 0 0 332.319 4.482 50 30 EIEARN C#CCCC1(CCC(=O)N(C)Cc2oc3c(cccc3C)c2C)N=N1 ZINC000952883458 1049682108 /nfs/dbraw/zinc/68/21/08/1049682108.db2.gz ZZQIFEHBCCQVPI-UHFFFAOYSA-N 0 0 337.423 4.364 50 30 EIEARN COc1c(Cl)cc(Cl)cc1[C@@H](C#N)N1N=C(C)CC1(C)C ZINC000004725081 210260933 /nfs/dbraw/zinc/26/09/33/210260933.db2.gz AIJZNNICKUTJJB-CYBMUJFWSA-N 0 0 326.227 4.427 50 30 EIEARN CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000004696234 210250057 /nfs/dbraw/zinc/25/00/57/210250057.db2.gz IPBJUDZDWOWSEO-UHFFFAOYSA-N 0 0 341.798 4.058 50 30 EIEARN C=CCOc1ccc(C(=O)Nc2ccnn2[C@@H](C)CC)cc1OCC ZINC000055383689 214314458 /nfs/dbraw/zinc/31/44/58/214314458.db2.gz GNOXTEJXWYWZNF-AWEZNQCLSA-N 0 0 343.427 4.070 50 30 EIEARN COc1ccc(C[C@@H](C#N)C(=O)Nc2cccc3ccccc32)cc1 ZINC000057525056 214434055 /nfs/dbraw/zinc/43/40/55/214434055.db2.gz QQVJOSLLVHUIHZ-KRWDZBQOSA-N 0 0 330.387 4.169 50 30 EIEARN N#CC1(C#N)[C@H](Cc2ccccc2)[C@H]1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004655612 210238870 /nfs/dbraw/zinc/23/88/70/210238870.db2.gz SMLBHPLJVOMVNE-CHAHAOGTSA-N 0 0 344.458 4.294 50 30 EIEARN CCOc1c(Cl)cc(C=NNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000004646803 210237415 /nfs/dbraw/zinc/23/74/15/210237415.db2.gz DOEWBSAJIAVKOI-VCHYOVAHSA-N 0 0 349.774 4.102 50 30 EIEARN O=C1C(=NNc2ccc(F)cc2)c2ccccc2N1c1ccccc1 ZINC000100327141 219097134 /nfs/dbraw/zinc/09/71/34/219097134.db2.gz MMJCFFNGALDPJX-NMWGTECJSA-N 0 0 331.350 4.320 50 30 EIEARN C=CCN1C(=O)/C(=C\c2ccccc2O)S/C1=N/c1ccccc1 ZINC000004481838 210199443 /nfs/dbraw/zinc/19/94/43/210199443.db2.gz GJGWKNTXTJISIM-SXXHPKIYSA-N 0 0 336.416 4.182 50 30 EIEARN C[C@H](NC=C1C(=O)c2ccccc2C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000100589708 219101990 /nfs/dbraw/zinc/10/19/90/219101990.db2.gz XEDBBJVUZASAMR-QRYOHXEKSA-N 0 0 335.447 4.144 50 30 EIEARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc2c1-c1ccccc1/C2=N/O ZINC000100620565 219102817 /nfs/dbraw/zinc/10/28/17/219102817.db2.gz RWNPHXLIAIBUGH-HHOSYTOVSA-N 0 0 334.419 4.297 50 30 EIEARN O=C1C=C(NC2Cc3ccccc3C2)C[C@@H](c2cccc(Cl)c2)C1 ZINC000101172530 219118791 /nfs/dbraw/zinc/11/87/91/219118791.db2.gz FEFSOZVGMIHRAD-QGZVFWFLSA-N 0 0 337.850 4.427 50 30 EIEARN O=C1C=C(NC2Cc3ccccc3C2)C[C@H](c2ccccc2Cl)C1 ZINC000101172560 219118856 /nfs/dbraw/zinc/11/88/56/219118856.db2.gz QNDPEUWWCSRAIV-INIZCTEOSA-N 0 0 337.850 4.427 50 30 EIEARN CC(C)n1cnc2ccc(-c3noc(-c4cccc(C#N)c4)n3)cc21 ZINC000065240633 214850378 /nfs/dbraw/zinc/85/03/78/214850378.db2.gz PTKAAYQWANORES-UHFFFAOYSA-N 0 0 329.363 4.206 50 30 EIEARN Cc1cc(SC[C@H]2CCCCO2)n2c3ccccc3nc2c1C#N ZINC000004269423 210156659 /nfs/dbraw/zinc/15/66/59/210156659.db2.gz YMLFRYNBHJIRLQ-CQSZACIVSA-N 0 0 337.448 4.329 50 30 EIEARN N#Cc1nc(COc2ccc(F)cc2)oc1NCc1ccc(F)cc1 ZINC000004268497 210155520 /nfs/dbraw/zinc/15/55/20/210155520.db2.gz IGDJKKGEPGIQDS-UHFFFAOYSA-N 0 0 341.317 4.016 50 30 EIEARN Cc1cccc(NC(=S)N/N=C/c2ccccc2Br)c1 ZINC000004231441 210148730 /nfs/dbraw/zinc/14/87/30/210148730.db2.gz IQGIDWKOKJGIEC-LICLKQGHSA-N 0 0 348.269 4.078 50 30 EIEARN N#Cc1cccc(CSc2nnc(C3CC3)n2-c2ccccc2)c1 ZINC000004186978 210142791 /nfs/dbraw/zinc/14/27/91/210142791.db2.gz ITQGUUZCMRXTGW-UHFFFAOYSA-N 0 0 332.432 4.309 50 30 EIEARN N#CC1(C#N)[C@@H](c2ccccc2)[C@@H]1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004182989 210141222 /nfs/dbraw/zinc/14/12/22/210141222.db2.gz YYDXDXFJSIRKMC-YAVWMNLKSA-N 0 0 330.431 4.219 50 30 EIEARN Cc1ccc(N/N=C2\Sc3nc4ccccc4n3C2=O)cc1Cl ZINC000101640665 219149677 /nfs/dbraw/zinc/14/96/77/219149677.db2.gz PNPJZYPABSAOPH-ZHZULCJRSA-N 0 0 342.811 4.170 50 30 EIEARN Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000004103843 210120917 /nfs/dbraw/zinc/12/09/17/210120917.db2.gz CRKCAQMLKHCFKA-UHFFFAOYSA-N 0 0 346.839 4.088 50 30 EIEARN CC(N=Nc1nnc(Cl)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000004001291 210098983 /nfs/dbraw/zinc/09/89/83/210098983.db2.gz VCJYMQDGBKKKPK-ZDLGFXPLSA-N 0 0 341.758 4.028 50 30 EIEARN Cc1ccc(/N=C2\c3ccccc3N(CN3CCC[C@@H](C)C3)C2=O)cc1 ZINC000003904015 210089034 /nfs/dbraw/zinc/08/90/34/210089034.db2.gz BEVHVSGZHFIYLQ-IJCFDHGGSA-N 0 0 347.462 4.152 50 30 EIEARN Cc1ccc(C(=O)N=C(NC(C)(C)C)C(Cl)(Cl)Cl)cc1 ZINC000003895216 210086290 /nfs/dbraw/zinc/08/62/90/210086290.db2.gz KUBXTZZZABPUQQ-UHFFFAOYSA-N 0 0 335.662 4.292 50 30 EIEARN N#CCSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 ZINC000003587401 210058294 /nfs/dbraw/zinc/05/82/94/210058294.db2.gz ZRNUBOKOUWIELN-UHFFFAOYSA-N 0 0 340.839 4.262 50 30 EIEARN CC1(C)CC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])=C2CCCC21 ZINC000043762025 213596545 /nfs/dbraw/zinc/59/65/45/213596545.db2.gz PKTAWJMEASUOMY-NBVRZTHBSA-N 0 0 330.344 4.181 50 30 EIEARN C=C(C)COc1cccc(NC(=O)N(C)[C@@H](C)c2cccnc2)c1 ZINC000067318635 215132523 /nfs/dbraw/zinc/13/25/23/215132523.db2.gz YYUSJNNBQDRXHL-HNNXBMFYSA-N 0 0 325.412 4.261 50 30 EIEARN COc1ccccc1C(=O)ON=C1c2ccccc2-c2ccccc21 ZINC000002893308 209937421 /nfs/dbraw/zinc/93/74/21/209937421.db2.gz GEPKWJCNDLTAMZ-UHFFFAOYSA-N 0 0 329.355 4.285 50 30 aggregator,biogenic EIEARN CN(C(=O)c1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1 ZINC000002660835 209887458 /nfs/dbraw/zinc/88/74/58/209887458.db2.gz NKYJDFUEJVWPDA-UHFFFAOYSA-N 0 0 326.399 4.420 50 30 EIEARN C=C(C)Cn1c(SCCC)nc2sc3c(c2c1=O)CCCC3 ZINC000002196959 209829644 /nfs/dbraw/zinc/82/96/44/209829644.db2.gz OSHVDWODZYPJEO-UHFFFAOYSA-N 0 0 334.510 4.415 50 30 EIEARN N#Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2cccs2)cc1 ZINC000069379327 215394591 /nfs/dbraw/zinc/39/45/91/215394591.db2.gz VVYMSYKOQOPJES-UHFFFAOYSA-N 0 0 347.399 4.124 50 30 EIEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)[C@H]3CCCO3)sc2C1 ZINC000001516933 209757393 /nfs/dbraw/zinc/75/73/93/209757393.db2.gz TWPGHZAHELCUPH-SWLSCSKDSA-N 0 0 346.496 4.278 50 30 EIEARN CC[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000040088367 213261546 /nfs/dbraw/zinc/26/15/46/213261546.db2.gz VMXBSZMXYWKLKZ-OAHLLOKOSA-N 0 0 345.349 4.432 50 30 EIEARN N#CC1(NC(=O)CSC23CC4CC(CC(C4)C2)C3)CCCCCC1 ZINC000040050538 213254973 /nfs/dbraw/zinc/25/49/73/213254973.db2.gz JCZFBIMQXYVPRW-UHFFFAOYSA-N 0 0 346.540 4.421 50 30 EIEARN Cc1ccc(NC=C(C(=O)c2ccco2)C(=O)C(F)(F)F)c(C)c1 ZINC000105758341 219519650 /nfs/dbraw/zinc/51/96/50/219519650.db2.gz LIRTXXDRNUIRCD-FMIVXFBMSA-N 0 0 337.297 4.207 50 30 EIEARN CCC(Nc1ccc(OC)cc1)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000000439128 209600155 /nfs/dbraw/zinc/60/01/55/209600155.db2.gz PYPZEVZXHDWPME-UHFFFAOYSA-N 0 0 349.430 4.487 50 30 EIEARN N#Cc1nc(Cc2cccs2)oc1NCc1ccccc1Cl ZINC000035672362 213045460 /nfs/dbraw/zinc/04/54/60/213045460.db2.gz AXINAEFJDVSUSS-UHFFFAOYSA-N 0 0 329.812 4.464 50 30 EIEARN N#Cc1ccc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)cc1 ZINC000071523640 215783812 /nfs/dbraw/zinc/78/38/12/215783812.db2.gz FSSYBBMJZCNUEI-GOSISDBHSA-N 0 0 336.410 4.182 50 30 EIEARN COc1ccc(C)cc1NC(=S)N/N=C\c1cccc2ccccc12 ZINC000034792583 212987402 /nfs/dbraw/zinc/98/74/02/212987402.db2.gz ABYLSRHWZYHEMX-BKUYFWCQSA-N 0 0 349.459 4.477 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc(CC)cc1 ZINC000000428097 209593339 /nfs/dbraw/zinc/59/33/39/209593339.db2.gz AHWDGCDFAHQUDG-PXNSSMCTSA-N 0 0 338.403 4.161 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1cccc(F)c1 ZINC000000428064 209592124 /nfs/dbraw/zinc/59/21/24/209592124.db2.gz MXKZHQRWDHTQIW-QAPCUYQASA-N 0 0 344.407 4.207 50 30 EIEARN C=CCN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)NC1=S ZINC000033325951 212926442 /nfs/dbraw/zinc/92/64/42/212926442.db2.gz ZFFJYWRVGNLCCW-GXDHUFHOSA-N 0 0 344.823 4.255 50 30 EIEARN O=C(Nc1nc[nH]n1)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000071883641 215920856 /nfs/dbraw/zinc/92/08/56/215920856.db2.gz IQOHGBOWHDQXDX-AWEZNQCLSA-N 0 0 328.372 4.065 50 30 EIEARN CC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N ZINC000000319889 209535493 /nfs/dbraw/zinc/53/54/93/209535493.db2.gz QFNADGRDPFVTQV-UHFFFAOYSA-N 0 0 336.338 4.320 50 30 EIEARN CC(=O)Nc1cc(NC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1C ZINC000072282504 216112576 /nfs/dbraw/zinc/11/25/76/216112576.db2.gz JMVJDBGRRYDNQD-UHFFFAOYSA-N 0 0 342.786 4.123 50 30 EIEARN Cc1cccc(CN(Cc2cccc(C#N)c2)Cc2ccccn2)c1 ZINC000072308336 216145589 /nfs/dbraw/zinc/14/55/89/216145589.db2.gz UEUHUSWYJOCPBR-UHFFFAOYSA-N 0 0 327.431 4.464 50 30 EIEARN C=CCc1cccc2cc(C(=O)Nc3cccc(Cl)c3)c(=O)oc21 ZINC000000197385 209478121 /nfs/dbraw/zinc/47/81/21/209478121.db2.gz AXLDYSXCLVCKJM-UHFFFAOYSA-N 0 0 339.778 4.427 50 30 EIEARN N#Cc1c2c(c(NCc3ccccc3)n3c4ccccc4nc13)CCC2 ZINC000000135268 209443828 /nfs/dbraw/zinc/44/38/28/209443828.db2.gz HOMCCAGVIACGMF-UHFFFAOYSA-N 0 0 338.414 4.460 50 30 EIEARN N#Cc1nc(COc2ccccc2Cl)oc1N1CCCCCC1 ZINC000000108555 209426773 /nfs/dbraw/zinc/42/67/73/209426773.db2.gz CQPFLIXTDZIYGV-UHFFFAOYSA-N 0 0 331.803 4.159 50 30 EIEARN CCOC(=O)CSc1nc(C2CC2)cc(-c2ccccc2)c1C#N ZINC000000067481 209397891 /nfs/dbraw/zinc/39/78/91/209397891.db2.gz GQJIMNMHJRWNQD-UHFFFAOYSA-N 0 0 338.432 4.153 50 30 EIEARN O=C(c1ccc(/N=C/c2c(O)cccc2Cl)cc1)N1CCCCC1 ZINC000000062677 209396327 /nfs/dbraw/zinc/39/63/27/209396327.db2.gz PCZLPQKLLBWURK-FYJGNVAPSA-N 0 0 342.826 4.422 50 30 EIEARN CC(C)(C)C(O)=C1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000000047169 209389815 /nfs/dbraw/zinc/38/98/15/209389815.db2.gz YILAAQFYBWFNFI-QGZVFWFLSA-N 0 0 335.403 4.202 50 30 EIEARN N#Cc1c(F)cccc1N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000025578317 212488379 /nfs/dbraw/zinc/48/83/79/212488379.db2.gz IYDLJNOSIMGNOP-FQEVSTJZSA-N 0 0 346.409 4.432 50 30 EIEARN C[C@@H](Sc1ccc(C#N)cn1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000024774058 212438724 /nfs/dbraw/zinc/43/87/24/212438724.db2.gz QCSLYWJOAJSVEN-CYBMUJFWSA-N 0 0 339.464 4.370 50 30 EIEARN Cc1c2ccccc2oc1C(=O)N(C)c1cc(C#N)c2ccccc2n1 ZINC000075141135 216578326 /nfs/dbraw/zinc/57/83/26/216578326.db2.gz QOAXWLBCYFPCHM-UHFFFAOYSA-N 0 0 341.370 4.438 50 30 EIEARN Cc1cc(-c2ccccc2)c(C#N)c(=O)n1C(=O)c1ccc(Cl)cc1 ZINC000214075242 241096665 /nfs/dbraw/zinc/09/66/65/241096665.db2.gz LKMGNMIEPZTRMG-UHFFFAOYSA-N 0 0 348.789 4.037 50 30 EIEARN CC(C)=C1Oc2c(ccc3c2[C@@H](c2ccccc2F)CC(=O)O3)C1=O ZINC000218247719 241308986 /nfs/dbraw/zinc/30/89/86/241308986.db2.gz CMZHVZUSXKUYEQ-CYBMUJFWSA-N 0 0 338.334 4.136 50 30 EIEARN Cc1ccc(-n2c(Nc3ccccc3C#N)c3[nH]cccc-3c2=O)cc1 ZINC000021107762 212207553 /nfs/dbraw/zinc/20/75/53/212207553.db2.gz PIMLRGZNFUPUAX-FQEVSTJZSA-N 0 0 340.386 4.033 50 30 EIEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1C)O2 ZINC000020503953 212141607 /nfs/dbraw/zinc/14/16/07/212141607.db2.gz IIXIWBWRBCMJQB-UNOMPAQXSA-N 0 0 337.419 4.159 50 30 EIEARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253499628 244006413 /nfs/dbraw/zinc/00/64/13/244006413.db2.gz LMVLICSGVDWDSM-NUFRDJDGSA-N 0 0 344.495 4.037 50 30 EIEARN Cc1c2sc3c(c2nc(N)c1C#N)[C@H](c1ccccc1)CC(=O)N3 ZINC000020029519 212094515 /nfs/dbraw/zinc/09/45/15/212094515.db2.gz SVSTYSYPFVAERR-NSHDSACASA-N 0 0 334.404 4.182 50 30 EIEARN Cc1cc(C(=O)Nc2ccc(C#N)cn2)sc1-c1ccc(F)cc1 ZINC000110284174 220027877 /nfs/dbraw/zinc/02/78/77/220027877.db2.gz RZXMFQAGORZZNK-UHFFFAOYSA-N 0 0 337.379 4.382 50 30 EIEARN Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nn1C(C)C ZINC000049342713 214001445 /nfs/dbraw/zinc/00/14/45/214001445.db2.gz ALIBJSMYTFFXNR-LLVKDONJSA-N 0 0 342.468 4.083 50 30 EIEARN Cc1ccc([C@@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1 ZINC000019209059 212004324 /nfs/dbraw/zinc/00/43/24/212004324.db2.gz WUKDIDPVRVJYDY-TZIWHRDSSA-N 0 0 341.410 4.401 50 30 EIEARN COc1cccc2c1OC[C@@H](Nc1ccc(C#N)cc1C(F)(F)F)C2 ZINC000078839058 217131874 /nfs/dbraw/zinc/13/18/74/217131874.db2.gz SNNCVAPJIGMMNB-ZDUSSCGKSA-N 0 0 348.324 4.001 50 30 EIEARN N#CCc1ccc(NC(=O)N2CCSC3(CCCCC3)C2)cc1 ZINC000079779763 217253702 /nfs/dbraw/zinc/25/37/02/217253702.db2.gz LPRGKDODYZHWIN-UHFFFAOYSA-N 0 0 329.469 4.036 50 30 EIEARN N#Cc1ccccc1COc1ccccc1C(=O)Nc1ccccc1 ZINC000014637990 211750137 /nfs/dbraw/zinc/75/01/37/211750137.db2.gz VKYSNFJMSUFXFH-UHFFFAOYSA-N 0 0 328.371 4.390 50 30 EIEARN COc1cccc(NC(=S)NCc2ccc3c(cc(C)n3C)c2)c1 ZINC000013878801 211654122 /nfs/dbraw/zinc/65/41/22/211654122.db2.gz TXCTWELTOCQVEQ-UHFFFAOYSA-N 0 0 339.464 4.393 50 30 EIEARN CCCCSc1nc(N2CCCC2)c2c(c1C#N)CC(C)(C)OC2 ZINC000013765882 211634640 /nfs/dbraw/zinc/63/46/40/211634640.db2.gz FKXIFKZQJHXCQF-UHFFFAOYSA-N 0 0 345.512 4.297 50 30 EIEARN O=C1/C(=N/c2ccc(Cl)c(Cl)c2)c2cccc3c2N1CCC3 ZINC000012406254 211370848 /nfs/dbraw/zinc/37/08/48/211370848.db2.gz BFKLAHMEVQCWKD-HMMYKYKNSA-N 0 0 331.202 4.407 50 30 EIEARN Cc1ccc(C(=O)CSc2nc(-c3ccco3)ccc2C#N)cc1 ZINC000012250994 211330066 /nfs/dbraw/zinc/33/00/66/211330066.db2.gz VAUFJYCZUKZMSP-UHFFFAOYSA-N 0 0 334.400 4.497 50 30 EIEARN CC(C)(C)[C@@H]1CC/C(=N/OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C#N)C1 ZINC000011916331 211268257 /nfs/dbraw/zinc/26/82/57/211268257.db2.gz UMNUGGQOIYNLFJ-DFNBJUKJSA-N 0 0 343.383 4.094 50 30 EIEARN COc1cc(/C=N/O)ccc1OCc1c(Cl)cccc1Cl ZINC000011827282 211253901 /nfs/dbraw/zinc/25/39/01/211253901.db2.gz QYFUTHPMDGRZPE-QGMBQPNBSA-N 0 0 326.179 4.389 50 30 EIEARN Cc1nn(-c2ccccc2)c(C)c1/C=C1\Cc2c(cccc2O)C1=O ZINC000011336192 211211787 /nfs/dbraw/zinc/21/17/87/211211787.db2.gz YVVMYEZZUKHYKX-RVDMUPIBSA-N 0 0 330.387 4.017 50 30 EIEARN COc1ccc2cc([C@H](C)C(=O)Nc3cccc(C#N)c3)ccc2c1 ZINC000011372174 211215421 /nfs/dbraw/zinc/21/54/21/211215421.db2.gz ZOMQNXGBDSQEBB-AWEZNQCLSA-N 0 0 330.387 4.462 50 30 EIEARN Cc1cc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2ccccc12 ZINC000009470594 211087034 /nfs/dbraw/zinc/08/70/34/211087034.db2.gz OOHYIRVNNIZAHS-KUHUBIRLSA-N 0 0 341.480 4.078 50 30 EIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000009110556 211040317 /nfs/dbraw/zinc/04/03/17/211040317.db2.gz VAXAGYSDSDNHFI-IBGZPJMESA-N 0 0 349.430 4.373 50 30 EIEARN C[C@@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2cccs2)C1 ZINC000009108968 211040108 /nfs/dbraw/zinc/04/01/08/211040108.db2.gz KLSRWGIIRHEFOO-VOJFVSQTSA-N 0 0 335.432 4.366 50 30 EIEARN C=CCSc1nc2ccccc2c2nc(-c3ccccc3OC)nn21 ZINC000008992629 211027925 /nfs/dbraw/zinc/02/79/25/211027925.db2.gz XCXCSIDMMOBEET-UHFFFAOYSA-N 0 0 348.431 4.231 50 30 EIEARN N#CCc1nc(-c2ccc(F)cc2)c(NC(=O)c2ccccc2)s1 ZINC000008917120 211018716 /nfs/dbraw/zinc/01/87/16/211018716.db2.gz JKONKDOJQINGDJ-UHFFFAOYSA-N 0 0 337.379 4.268 50 30 EIEARN COCCCNC(=S)N(Cc1ccccc1)Cc1ccccc1 ZINC000008830428 211009680 /nfs/dbraw/zinc/00/96/80/211009680.db2.gz CITVXSWWYXTXKD-UHFFFAOYSA-N 0 0 328.481 4.011 50 30 EIEARN N#Cc1ccc(Oc2cccc(NCc3cn4cccnc4n3)c2)cc1 ZINC000095417989 218357618 /nfs/dbraw/zinc/35/76/18/218357618.db2.gz PRZSBZWYAWVQIU-UHFFFAOYSA-N 0 0 341.374 4.005 50 30 EIEARN N#Cc1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1 ZINC000006549698 210651846 /nfs/dbraw/zinc/65/18/46/210651846.db2.gz LWGXJJGIWZVCCL-UHFFFAOYSA-N 0 0 328.371 4.243 50 30 EIEARN O=C(/C=C/c1nc2ccccc2[nH]1)c1ccc(Br)cc1 ZINC000005729136 210525101 /nfs/dbraw/zinc/52/51/01/210525101.db2.gz JWIMYKOAKQACEZ-MDZDMXLPSA-N 0 0 327.181 4.222 50 30 EIEARN Cc1cc(C(=O)OCc2ccc(C#N)cc2)c(C)n1-c1ccc(F)cc1 ZINC000005623260 210502552 /nfs/dbraw/zinc/50/25/52/210502552.db2.gz QPZYLFZZARGLKS-UHFFFAOYSA-N 0 0 348.377 4.462 50 30 EIEARN CN1N=C(c2ccc(Cl)cc2)CS/C1=N/Cc1ccccc1 ZINC000005414266 210459450 /nfs/dbraw/zinc/45/94/50/210459450.db2.gz GHSJLAXONSWWLN-HTXNQAPBSA-N 0 0 329.856 4.279 50 30 EIEARN N#Cc1ccc(OC(=O)/C=C\c2ccc(Br)s2)cc1 ZINC000096571125 218883796 /nfs/dbraw/zinc/88/37/96/218883796.db2.gz JOAUOBRMQBQQSX-VURMDHGXSA-N 0 0 334.194 4.001 50 30 EIEARN Cc1ccccc1C(=O)/C=C\c1cccc(NC(=O)C(F)(F)F)c1 ZINC000096931794 218901583 /nfs/dbraw/zinc/90/15/83/218901583.db2.gz FIOHKWMIBMLGOS-KTKRTIGZSA-N 0 0 333.309 4.392 50 30 EIEARN N#Cc1ccccc1COC(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000005112231 210391689 /nfs/dbraw/zinc/39/16/89/210391689.db2.gz WDCUCZOXCIPHJO-CMDGGOBGSA-N 0 0 331.293 4.334 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(C=Cc2ccco2)C[C@H]1c1ccccc1 ZINC000005067579 210380893 /nfs/dbraw/zinc/38/08/93/210380893.db2.gz NNXQOKQHXMPRDJ-SWECLWCZSA-N 0 0 336.387 4.155 50 30 biogenic EIEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccs2)cc1 ZINC000004987366 210350710 /nfs/dbraw/zinc/35/07/10/210350710.db2.gz GXVNNANKMAUPMG-HUUCEWRRSA-N 0 0 337.444 4.061 50 30 EIEARN Cc1ccc(-n2c(SCCCC#N)nc3ccccc3c2=O)cc1 ZINC000004975272 210344519 /nfs/dbraw/zinc/34/45/19/210344519.db2.gz GWOQUVJYXXAJOZ-UHFFFAOYSA-N 0 0 335.432 4.090 50 30 EIEARN COc1ccc(-c2cc3cc(C)c(C#N)c(N4CCCC4)n3c2)cc1 ZINC000000034363 208553077 /nfs/dbraw/zinc/55/30/77/208553077.db2.gz ILURTVSASSDUHM-UHFFFAOYSA-N 0 0 331.419 4.395 50 30 EIEARN C=CCn1c(C)cc(C2=NNC(=Nc3ccc(F)cc3)SC2)c1C ZINC000007007851 208570484 /nfs/dbraw/zinc/57/04/84/208570484.db2.gz BYFNSKGYRNDWSW-UHFFFAOYSA-N 0 0 342.443 4.349 50 30 EIEARN O=C(/C=C/c1cccnc1)c1ccc(NC(=O)c2cccs2)cc1 ZINC000004852244 210300791 /nfs/dbraw/zinc/30/07/91/210300791.db2.gz QFTSAHLCZPFYGE-BJMVGYQFSA-N 0 0 334.400 4.292 50 30 EIEARN Cc1cc2nnc(SCc3ccc(C#N)cc3)n2c2ccccc12 ZINC000004843528 210298043 /nfs/dbraw/zinc/29/80/43/210298043.db2.gz NCEOXCAPXGJTCW-UHFFFAOYSA-N 0 0 330.416 4.355 50 30 EIEARN Fc1ccccc1CN=Nc1nc(-c2cccnc2)nc2ccccc21 ZINC000004811717 210283770 /nfs/dbraw/zinc/28/37/70/210283770.db2.gz QGVDWJWWMNFPLP-YDZHTSKRSA-N 0 0 343.365 4.277 50 30 EIEARN COc1ccc(-c2nc3ccccc3c(N=NCc3ccco3)n2)cc1 ZINC000004811551 210283709 /nfs/dbraw/zinc/28/37/09/210283709.db2.gz FOFGZPBONDHQCM-FYJGNVAPSA-N 0 0 344.374 4.344 50 30 EIEARN CC(C)Oc1ncc(Cl)cc1NC(=O)[C@H]1CCCCC(=O)N1 ZINC000328597043 258042320 /nfs/dbraw/zinc/04/23/20/258042320.db2.gz CTLQYEKPGSEOGR-LLVKDONJSA-N 0 0 325.796 4.009 50 30 EIEARN C=CCSc1nnc(NC(=O)Cc2coc3ccc(C)cc23)s1 ZINC000006809810 258044112 /nfs/dbraw/zinc/04/41/12/258044112.db2.gz WYIPSJISDMPXSU-UHFFFAOYSA-N 0 0 345.449 4.052 50 30 EIEARN C=CCC(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000067919607 258011081 /nfs/dbraw/zinc/01/10/81/258011081.db2.gz UOCGOZYHBNAICO-UHFFFAOYSA-N 0 0 336.313 4.085 50 30 EIEARN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000096971571 258012045 /nfs/dbraw/zinc/01/20/45/258012045.db2.gz HXYHMEFSDZLSEF-LBPRGKRZSA-N 0 0 329.271 4.069 50 30 EIEARN C#C[C@]1(O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@]4(C)O)[C@H]3CC[C@H]2C1 ZINC000253604717 258015015 /nfs/dbraw/zinc/01/50/15/258015015.db2.gz DJTOPBVAPKKSCO-OEOIFFENSA-N 0 0 330.512 4.144 50 30 EIEARN C=CCOc1ccccc1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000019634524 258016325 /nfs/dbraw/zinc/01/63/25/258016325.db2.gz BYNZQDIVKDEEJZ-DHZHZOJOSA-N 0 0 348.490 4.082 50 30 EIEARN C#CCn1c(COc2ccc(/C=C\C)cc2OC)nc2ccccc21 ZINC000012343386 258017505 /nfs/dbraw/zinc/01/75/05/258017505.db2.gz GTCVZWWYVUFYMB-YWEYNIOJSA-N 0 0 332.403 4.290 50 30 EIEARN CCCC[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(C#N)cc1F ZINC000299792311 258097246 /nfs/dbraw/zinc/09/72/46/258097246.db2.gz FRAHDMUDSMSURR-SFHVURJKSA-N 0 0 340.402 4.488 50 30 EIEARN CCCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC ZINC000006790091 258052318 /nfs/dbraw/zinc/05/23/18/258052318.db2.gz OJDHOZZMGZMKSH-QPJJXVBHSA-N 0 0 340.375 4.109 50 30 EIEARN C[C@@H](NC(=O)c1ccccc1SCC#N)c1cccc(Cl)c1 ZINC000032973793 258059290 /nfs/dbraw/zinc/05/92/90/258059290.db2.gz QLHGNIGCVGDJFL-GFCCVEGCSA-N 0 0 330.840 4.447 50 30 EIEARN C/C(=N/N)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000261493263 258073903 /nfs/dbraw/zinc/07/39/03/258073903.db2.gz LQOFLKGYBOYGQI-JRANANNSSA-N 0 0 330.516 4.261 50 30 EIEARN C=C(C)c1nc(C#N)c(N=NCc2cccc(OCCC(C)C)c2)o1 ZINC000027562529 518649842 /nfs/dbraw/zinc/64/98/42/518649842.db2.gz YNYCZSNLAXDYJT-CIAFOILYSA-N 0 0 338.411 4.450 50 30 EIEARN C=CCN(Cc1cccc(OC)c1)C(=O)c1cc(Cl)ccc1OC ZINC000055226512 518784753 /nfs/dbraw/zinc/78/47/53/518784753.db2.gz WEWUWDVGEYXPCQ-UHFFFAOYSA-N 0 0 345.826 4.186 50 30 EIEARN C=CCSc1ccccc1NC(=O)NCc1ccccc1OC ZINC000031023684 519079242 /nfs/dbraw/zinc/07/92/42/519079242.db2.gz NHRXSOFEFNMRNW-UHFFFAOYSA-N 0 0 328.437 4.295 50 30 EIEARN C=CC[C@H](CC)NC(=O)Nc1cccc2c1CN(c1nccs1)C2 ZINC000328588501 519110974 /nfs/dbraw/zinc/11/09/74/519110974.db2.gz RETUTMPKWFMVGO-AWEZNQCLSA-N 0 0 342.468 4.344 50 30 EIEARN C=CCc1ccc(OCCCOc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000002994819 519138215 /nfs/dbraw/zinc/13/82/15/519138215.db2.gz ODGVBZREDFXVOT-UHFFFAOYSA-N 0 0 343.379 4.180 50 30 EIEARN C=CCc1ccc(OCCn2cc(C=O)c3ccccc32)c(OC)c1 ZINC000000615691 519140019 /nfs/dbraw/zinc/14/00/19/519140019.db2.gz RAOAAILNUWGQRX-UHFFFAOYSA-N 0 0 335.403 4.270 50 30 EIEARN C=CCn1c(SCc2c(F)cccc2F)nnc1-c1cccnc1 ZINC000000530382 519237158 /nfs/dbraw/zinc/23/71/58/519237158.db2.gz OWLLUSUYEGGAQC-UHFFFAOYSA-N 0 0 344.390 4.097 50 30 EIEARN C=CCn1c(SCc2ncc(C(C)C)o2)nnc1-c1ccco1 ZINC000069617935 519249038 /nfs/dbraw/zinc/24/90/38/519249038.db2.gz RZOGJRVCGHFLRC-UHFFFAOYSA-N 0 0 330.413 4.128 50 30 EIEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3ccccn3)c12 ZINC000033406239 519267995 /nfs/dbraw/zinc/26/79/95/519267995.db2.gz WFYRGLVLODFNTM-QXMHVHEDSA-N 0 0 342.402 4.075 50 30 EIEARN C=CCn1c2ccccc2s/c1=N\C(=O)c1ccc(SC)cc1 ZINC000101041571 519268869 /nfs/dbraw/zinc/26/88/69/519268869.db2.gz JDCDEKADZQVDLS-HNENSFHCSA-N 0 0 340.473 4.352 50 30 EIEARN COC(=O)c1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000004412574 521937765 /nfs/dbraw/zinc/93/77/65/521937765.db2.gz JNGGCUKAMAPQNX-YBFXNURJSA-N 0 0 337.404 4.043 50 30 EIEARN COc1cc(OC)c(OC)cc1/C=C\C(=O)c1ccc2c(c1)CCC2 ZINC000096765943 522819813 /nfs/dbraw/zinc/81/98/13/522819813.db2.gz UQLZFPIJWPZAMC-KTKRTIGZSA-N 0 0 338.403 4.097 50 30 EIEARN COc1ccc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cc1OC ZINC000004082936 523402625 /nfs/dbraw/zinc/40/26/25/523402625.db2.gz HCGSXADMYXDXJC-YCRREMRBSA-N 0 0 334.318 4.201 50 30 biogenic EIEARN Cc1ccc(C=NN2C(=S)N=NC2c2ccc(C(C)(C)C)cc2)o1 ZINC000239164888 524242725 /nfs/dbraw/zinc/24/27/25/524242725.db2.gz NCBZJPBCZXTQRI-UHFFFAOYSA-N 0 0 340.452 4.315 50 30 EIEARN C[C@H](CC#N)N(C)C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000086282529 526217670 /nfs/dbraw/zinc/21/76/70/526217670.db2.gz IRFUYOVKVSDVKL-CQSZACIVSA-N 0 0 341.386 4.171 50 30 EIEARN N#CC1CCN(C(=O)Nc2cccc(OCCc3ccccc3)c2)CC1 ZINC000069774001 526440686 /nfs/dbraw/zinc/44/06/86/526440686.db2.gz NPAVODUYMVVYAS-UHFFFAOYSA-N 0 0 349.434 4.076 50 30 EIEARN N#C[C@@H]1CCCN(C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC000299776238 526499386 /nfs/dbraw/zinc/49/93/86/526499386.db2.gz LXUCKJICAKHNBA-JTQLQIEISA-N 0 0 329.347 4.066 50 30 EIEARN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3cccs3)s2)nc1 ZINC000004363158 527360015 /nfs/dbraw/zinc/36/00/15/527360015.db2.gz XDRGLXMDXCLMDW-CXUHLZMHSA-N 0 0 330.394 4.226 50 30 EIEARN C#Cc1cccc(N(C)C(=O)c2cccc(-c3ccccn3)c2C)c1 ZINC000165801341 527440127 /nfs/dbraw/zinc/44/01/27/527440127.db2.gz MYLYPZXTTDRKGA-UHFFFAOYSA-N 0 0 326.399 4.315 50 30 EIEARN O=C(C(=CNNc1ccccc1)N=Nc1ccccc1)c1cccs1 ZINC000004481271 527663797 /nfs/dbraw/zinc/66/37/97/527663797.db2.gz VYIBLLCQBODPHX-PWIKTKKKSA-N 0 0 348.431 4.497 50 30 EIEARN CC1(C)Cc2c(C#N)c(N3CCCCC3)nc(-c3ccccc3)c2CO1 ZINC000019118147 534943600 /nfs/dbraw/zinc/94/36/00/534943600.db2.gz FLWXGEFGLGVFMM-UHFFFAOYSA-N 0 0 347.462 4.462 50 30 EIEARN COc1ccc(/C=C\C(=O)c2cccc(C#N)c2)cc1Br ZINC000206977858 536612882 /nfs/dbraw/zinc/61/28/82/536612882.db2.gz BAQSZQUDJJNEMD-ALCCZGGFSA-N 0 0 342.192 4.225 50 30 EIEARN Cc1ccccc1[C@H]1C2=C(CCCC2=O)N=C2c3ccccc3C(=O)[C@@H]21 ZINC000000103686 563226552 /nfs/dbraw/zinc/22/65/52/563226552.db2.gz NFVIYIMDCUFFDP-PZJWPPBQSA-N 0 0 341.410 4.401 50 30 EIEARN CCOc1ccccc1NC(=O)c1c(N)sc2c1CC[C@H](C)C2 ZINC000000130390 563238354 /nfs/dbraw/zinc/23/83/54/563238354.db2.gz QPYDCUQJDVEWIM-NSHDSACASA-N 0 0 330.453 4.490 50 30 EIEARN CCOc1ccc(NC=C2C(=O)CC(c3ccccc3)CC2=O)cc1 ZINC000000179355 563253665 /nfs/dbraw/zinc/25/36/65/563253665.db2.gz WZXXLBQTDZDZNZ-UHFFFAOYSA-N 0 0 335.403 4.097 50 30 EIEARN O=C1c2ccccc2N[C@@H](c2ccccc2)N1/N=C/c1ccccc1 ZINC000000440738 563313862 /nfs/dbraw/zinc/31/38/62/563313862.db2.gz XDNVQLYIILLRDP-INKLHFNDSA-N 0 0 327.387 4.287 50 30 EIEARN CC1=Cc2ccccc2[C@@]2(C#N)C(=S)N(c3ccc(F)cc3)C(=O)N12 ZINC000000478170 563335425 /nfs/dbraw/zinc/33/54/25/563335425.db2.gz IIALXSDNGRQPII-IBGZPJMESA-N 0 0 349.390 4.189 50 30 EIEARN Oc1cccc(/C=N/c2ccc(/N=C/c3cccc(O)c3O)cc2)c1O ZINC000000566853 563348085 /nfs/dbraw/zinc/34/80/85/563348085.db2.gz DPDBMWILIJNKFU-XHQRYOPUSA-N 0 0 348.358 4.010 50 30 EIEARN Oc1ccc(Br)cc1/C=N/c1ccnn1-c1ccccc1 ZINC000001045288 563370148 /nfs/dbraw/zinc/37/01/48/563370148.db2.gz JKDWWYXZLNLBBA-WOJGMQOQSA-N 0 0 342.196 4.091 50 30 EIEARN Oc1ccc2ccccc2c1/C=N/NC(=S)Nc1ccc(F)cc1 ZINC000002506469 563434926 /nfs/dbraw/zinc/43/49/26/563434926.db2.gz MJHXCBZGQVTSOC-RGVLZGJSSA-N 0 0 339.395 4.005 50 30 EIEARN N#C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000002527496 563439709 /nfs/dbraw/zinc/43/97/09/563439709.db2.gz HWYCMBISZMDDLP-OAHLLOKOSA-N 0 0 332.403 4.171 50 30 EIEARN C#CC(CC)(CC)NC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000002543661 563440257 /nfs/dbraw/zinc/44/02/57/563440257.db2.gz JVUIGFQPQKIDNL-UHFFFAOYSA-N 0 0 348.805 4.364 50 30 EIEARN CCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(O)cc1 ZINC000008438739 563630081 /nfs/dbraw/zinc/63/00/81/563630081.db2.gz NLUDKIYQQWZKRM-GOSISDBHSA-N 0 0 345.439 4.037 50 30 EIEARN N#CCc1ccc(NC(=O)c2occc2COc2ccccc2)cc1 ZINC000012797965 563673060 /nfs/dbraw/zinc/67/30/60/563673060.db2.gz OJYVYHOPFXWMTI-UHFFFAOYSA-N 0 0 332.359 4.177 50 30 EIEARN C/C(=N/OC(=O)c1ccc(Br)cc1)c1ccc(C)cc1 ZINC000013114086 563688542 /nfs/dbraw/zinc/68/85/42/563688542.db2.gz GSSQKTIKJHKUSY-PDGQHHTCSA-N 0 0 332.197 4.339 50 30 EIEARN CCOC(=O)c1c(/N=C/c2ccc(C)cc2O)sc2c1CCC2 ZINC000013126223 563689553 /nfs/dbraw/zinc/68/95/53/563689553.db2.gz KIHKDXASBNNIJX-VXLYETTFSA-N 0 0 329.421 4.178 50 30 EIEARN CCCC(=NOCC)C1C(=O)CC([C@H]2CCCSC2)CC1=O ZINC000013539400 563700423 /nfs/dbraw/zinc/70/04/23/563700423.db2.gz GGWHBJGBERXSLL-OMXZIVNTSA-N 0 0 325.474 4.113 50 30 in-vitro EIEARN O=C1Nc2ccc(Br)cc2/C1=N/c1cccc(Cl)c1 ZINC000013856138 563726803 /nfs/dbraw/zinc/72/68/03/563726803.db2.gz HJIZUUGAFLJVDR-UHFFFAOYSA-N 0 0 335.588 4.175 50 30 EIEARN N#Cc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000032754897 563728015 /nfs/dbraw/zinc/72/80/15/563728015.db2.gz JYJNTHYRRGSIQI-UHFFFAOYSA-N 0 0 334.400 4.026 50 30 EIEARN CCCCc1ccc(S(=O)(=O)N/N=C(/C)C2CCCCC2)cc1 ZINC000017070783 563833236 /nfs/dbraw/zinc/83/32/36/563833236.db2.gz BDGNIPHZNSZOCE-CYVLTUHYSA-N 0 0 336.501 4.264 50 30 EIEARN Cc1ccc(/C=N/c2sc(Cc3ccccc3)c(C)c2C(N)=O)o1 ZINC000018285503 563852307 /nfs/dbraw/zinc/85/23/07/563852307.db2.gz WLNSNZAFLJNLGK-SRZZPIQSSA-N 0 0 338.432 4.398 50 30 EIEARN Cc1ccccc1-n1ncc(C(=O)Nc2cccc(C#N)c2)c1C1CC1 ZINC000029753960 563908451 /nfs/dbraw/zinc/90/84/51/563908451.db2.gz JUVUAASVJHWLLC-UHFFFAOYSA-N 0 0 342.402 4.182 50 30 EIEARN N#C[C@@H](c1ccccc1)[C@H]1CCCCN1C(=O)c1ccnc(Cl)c1 ZINC000072297927 563912676 /nfs/dbraw/zinc/91/26/76/563912676.db2.gz SHXKECXFMFVRIM-DLBZAZTESA-N 0 0 339.826 4.037 50 30 EIEARN C/C(=N\N1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000033322832 563915838 /nfs/dbraw/zinc/91/58/38/563915838.db2.gz ZCSXUGSPSXIMLQ-LYBHJNIJSA-N 0 0 343.474 4.382 50 30 EIEARN C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Br)s1 ZINC000007983386 563920174 /nfs/dbraw/zinc/92/01/74/563920174.db2.gz HJZVRMYBZZZQIF-AWEZNQCLSA-N 0 0 349.253 4.263 50 30 EIEARN CCCCc1nc(N2CCCCC2)c(C#N)c2c1COC(C)(C)C2 ZINC000013511651 563926447 /nfs/dbraw/zinc/92/64/47/563926447.db2.gz QOCUZNUFYLEWDT-UHFFFAOYSA-N 0 0 327.472 4.137 50 30 EIEARN N#Cc1ccc(C(F)(F)F)c(N[C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000097163625 563968450 /nfs/dbraw/zinc/96/84/50/563968450.db2.gz ADDQOFRHSOAIRW-WFASDCNBSA-N 0 0 342.386 4.044 50 30 EIEARN C=CCN1C(=O)S/C(=C\c2ccc(OC(C)C)c(Cl)c2)C1=O ZINC000033286802 563972968 /nfs/dbraw/zinc/97/29/68/563972968.db2.gz HZHBGIXRUIWNKR-ZROIWOOFSA-N 0 0 337.828 4.350 50 30 EIEARN CC[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1ccccc1C#N ZINC000000076510 563974510 /nfs/dbraw/zinc/97/45/10/563974510.db2.gz PISBOQDQIZCBJB-MRXNPFEDSA-N 0 0 337.404 4.209 50 30 EIEARN CCCCCCCCCCCCNC(=O)C(=O)NCc1ccccc1 ZINC000098002654 563982195 /nfs/dbraw/zinc/98/21/95/563982195.db2.gz DRLBKKINGZGDIR-UHFFFAOYSA-N 0 0 346.515 4.340 50 30 biogenic EIEARN Cc1cccc(Cl)c1NC(=O)N1CCOC[C@H]1c1ccccc1 ZINC000328594356 563984327 /nfs/dbraw/zinc/98/43/27/563984327.db2.gz FKSKFCKGOYIDAA-INIZCTEOSA-N 0 0 330.815 4.267 50 30 EIEARN Cc1ccc(/N=C2\c3ccccc3N(CN3CCC[C@H](C)C3)C2=O)cc1 ZINC000000202071 563988396 /nfs/dbraw/zinc/98/83/96/563988396.db2.gz BEVHVSGZHFIYLQ-BIBRTQAFSA-N 0 0 347.462 4.152 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(C)cc1 ZINC000000203591 563988426 /nfs/dbraw/zinc/98/84/26/563988426.db2.gz JWMOABHPEGOXNJ-VQIMIIECSA-N 0 0 340.444 4.376 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000000203586 563988431 /nfs/dbraw/zinc/98/84/31/563988431.db2.gz OJSNWNBFTVZHNE-YJBOKZPZSA-N 0 0 344.407 4.207 50 30 EIEARN N#Cc1cnn2c1nc(-c1ccc(Cl)s1)cc2C(F)(F)F ZINC000000374593 563991855 /nfs/dbraw/zinc/99/18/55/563991855.db2.gz GOHQAFJKZNAJDT-UHFFFAOYSA-N 0 0 328.706 4.002 50 30 EIEARN N#CCC[C@@H](C#N)CN1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000134858900 563996750 /nfs/dbraw/zinc/99/67/50/563996750.db2.gz PZFLKUPTCPQRMA-AWEZNQCLSA-N 0 0 333.888 4.340 50 30 EIEARN CN(C)c1ccc(C=NOC(=O)Nc2cccc3ccccc32)cc1 ZINC000252617615 563997982 /nfs/dbraw/zinc/99/79/82/563997982.db2.gz KXAVNASIUZFDST-UHFFFAOYSA-N 0 0 333.391 4.488 50 30 EIEARN CC(=O)C1=C(C)N(C)C2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1F ZINC000005175887 563999987 /nfs/dbraw/zinc/99/99/87/563999987.db2.gz PWJQVLDBRXSJEN-IBGZPJMESA-N 0 0 347.389 4.325 50 30 EIEARN CC[C@@H]1CCCCN1C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000005407053 564003711 /nfs/dbraw/zinc/00/37/11/564003711.db2.gz UMZKPOJDKZBVIH-HXUWFJFHSA-N 0 0 348.446 4.395 50 30 EIEARN N#Cc1ccc(COc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000005437576 564003954 /nfs/dbraw/zinc/00/39/54/564003954.db2.gz RVAZDLCAQZZFJD-UHFFFAOYSA-N 0 0 342.398 4.067 50 30 EIEARN N#Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000002649179 564003964 /nfs/dbraw/zinc/00/39/64/564003964.db2.gz JYFXSHJTIQTINS-FPYGCLRLSA-N 0 0 348.736 4.465 50 30 EIEARN CSc1nc(-c2ccc(C)cc2)c(C#N)c(N2CCC(C)CC2)n1 ZINC000005607419 564006351 /nfs/dbraw/zinc/00/63/51/564006351.db2.gz LWWPVPFAIOZPMG-UHFFFAOYSA-N 0 0 338.480 4.282 50 30 EIEARN C=C(C)COc1ccc(-c2n[nH]cc2-c2ccccc2OC)c(O)c1 ZINC000018182236 564018626 /nfs/dbraw/zinc/01/86/26/564018626.db2.gz HUSXCUQXZQVPSX-UHFFFAOYSA-N 0 0 336.391 4.413 50 30 EIEARN O=C1CCCC2=C1[C@H](c1ccccc1F)c1cc3c(cc1N2)OCO3 ZINC000018196728 564018710 /nfs/dbraw/zinc/01/87/10/564018710.db2.gz OEUAYZSLUKLPKD-LJQANCHMSA-N 0 0 337.350 4.119 50 30 EIEARN COc1ccc(C=Nc2ccc(NC3=NC[C@@H](C)S3)cc2)cc1 ZINC000000501432 564019049 /nfs/dbraw/zinc/01/90/49/564019049.db2.gz HCMJEMKILGKDQN-KZKLBEMASA-N 0 0 325.437 4.349 50 30 EIEARN C[C@@H]1CCc2c(sc(/N=C/c3c[nH]c4ccccc34)c2C(N)=O)C1 ZINC000000501682 564019063 /nfs/dbraw/zinc/01/90/63/564019063.db2.gz WZDUHCNQWWOGPY-WMJRALALSA-N 0 0 337.448 4.204 50 30 EIEARN CC/N=C1/S/C(=C/c2cc(C(C)C)c(OC)cc2C)C(=O)N1CC ZINC000101696215 564019508 /nfs/dbraw/zinc/01/95/08/564019508.db2.gz WTAFHYYWYDQBIL-QSAFIDALSA-N 0 0 346.496 4.439 50 30 EIEARN CCCCCCCC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000102932944 564020932 /nfs/dbraw/zinc/02/09/32/564020932.db2.gz WXQHMHRWLUVOAK-UHFFFAOYSA-N 0 0 345.270 4.409 50 30 EIEARN Cc1cccc(NC=C(C(=O)c2ccccc2)C(=O)C(F)(F)F)c1 ZINC000103655337 564022944 /nfs/dbraw/zinc/02/29/44/564022944.db2.gz UNQNWXPCTPYGMJ-RVDMUPIBSA-N 0 0 333.309 4.305 50 30 EIEARN C=C(C)CSc1nc2sc3c(c2c(N)n1)C[C@H](CCC)OC3 ZINC000000553965 564023088 /nfs/dbraw/zinc/02/30/88/564023088.db2.gz QOLZBVOQBMFWPJ-JTQLQIEISA-N 0 0 335.498 4.183 50 30 EIEARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)c2cccs2)c1C#N ZINC000005724514 564023993 /nfs/dbraw/zinc/02/39/93/564023993.db2.gz CCENXFDJATYSKX-UHFFFAOYSA-N 0 0 335.432 4.339 50 30 EIEARN CC(=O)Nc1cccc(NC(=S)NN=C2CCCCCCC2)c1 ZINC000045690852 564028609 /nfs/dbraw/zinc/02/86/09/564028609.db2.gz WMWBKYIZVUXGPG-UHFFFAOYSA-N 0 0 332.473 4.032 50 30 EIEARN Cc1cc(C)c2c(c1)c(C)cc1nnc(SC[C@@H](C#N)CCC#N)n12 ZINC000048310236 564030740 /nfs/dbraw/zinc/03/07/40/564030740.db2.gz RUMFXUFNSASEDI-OAHLLOKOSA-N 0 0 349.463 4.343 50 30 EIEARN CCc1ccc(/N=C2\NC(=O)[C@H](Cc3cccc(Cl)c3)S2)cc1 ZINC000005809643 564033157 /nfs/dbraw/zinc/03/31/57/564033157.db2.gz DCRAFLQIEVIWKT-INIZCTEOSA-N 0 0 344.867 4.364 50 30 EIEARN CCc1ccc(/N=C2\NC(=O)[C@@H](Cc3cccc(Cl)c3)S2)cc1 ZINC000005809667 564033162 /nfs/dbraw/zinc/03/31/62/564033162.db2.gz DCRAFLQIEVIWKT-MRXNPFEDSA-N 0 0 344.867 4.364 50 30 EIEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000024871113 564034181 /nfs/dbraw/zinc/03/41/81/564034181.db2.gz UYUGISHXFORCQU-AWEZNQCLSA-N 0 0 342.398 4.216 50 30 EIEARN CC[C@H](C)Oc1c(C=C2C(=O)c3ccccc3C2=O)cccc1OC ZINC000000858720 564051024 /nfs/dbraw/zinc/05/10/24/564051024.db2.gz OCOWTCJLPXMSCT-ZDUSSCGKSA-N 0 0 336.387 4.335 50 30 EIEARN Cc1cccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 ZINC000000947393 564053639 /nfs/dbraw/zinc/05/36/39/564053639.db2.gz BCCBERJTVWPMGY-CYBMUJFWSA-N 0 0 340.448 4.071 50 30 EIEARN COc1cccc(-c2cc3c4ccccc4oc(=O)c3c(N)c2C#N)c1 ZINC000001036539 564054204 /nfs/dbraw/zinc/05/42/04/564054204.db2.gz YMBUHNFDMJQSQH-UHFFFAOYSA-N 0 0 342.354 4.076 50 30 EIEARN N#Cc1c(NC(=O)c2c(F)cccc2F)sc2c1CCCCC2 ZINC000001053548 564054220 /nfs/dbraw/zinc/05/42/20/564054220.db2.gz CLKOMJJEAFDXEV-UHFFFAOYSA-N 0 0 332.375 4.419 50 30 EIEARN COc1ccccc1C(=O)Nc1sc2c(c1C#N)C[C@@H](C)CC2 ZINC000005920809 564057010 /nfs/dbraw/zinc/05/70/10/564057010.db2.gz ICSDFDGDWNJNLJ-NSHDSACASA-N 0 0 326.421 4.005 50 30 EIEARN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)Cc1cccc2ccccc21 ZINC000003259932 564058769 /nfs/dbraw/zinc/05/87/69/564058769.db2.gz BCLZKFVTBSVMKN-SFHVURJKSA-N 0 0 339.398 4.145 50 30 aggregator EIEARN O=C(N=NC=C1C=CC(=O)C=C1)C1=CCN(Cc2ccccc2)C=C1 ZINC000334157226 564062085 /nfs/dbraw/zinc/06/20/85/564062085.db2.gz BVJUTNGYBIYTCH-UHFFFAOYSA-N 0 0 331.375 4.330 50 30 EIEARN N#Cc1cc(-c2ccc(Cl)cc2)cn(Cc2ccc(F)cc2)c1=O ZINC000001391871 564064515 /nfs/dbraw/zinc/06/45/15/564064515.db2.gz QFLJDYNFIKBWGD-UHFFFAOYSA-N 0 0 338.769 4.228 50 30 EIEARN N#Cc1csc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c1 ZINC000084085859 564066296 /nfs/dbraw/zinc/06/62/96/564066296.db2.gz CGJVVVSYRADRHE-UHFFFAOYSA-N 0 0 346.824 4.044 50 30 EIEARN Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(C)c1Cl ZINC000001420999 564066533 /nfs/dbraw/zinc/06/65/33/564066533.db2.gz QYJLRMGXVVLISC-UHFFFAOYSA-N 0 0 349.818 4.093 50 30 EIEARN CCN(c1ccccc1)c1nc(C#N)nc(N(CC)c2ccccc2)n1 ZINC000001424580 564066716 /nfs/dbraw/zinc/06/67/16/564066716.db2.gz BKABKOFLTNTFIF-UHFFFAOYSA-N 0 0 344.422 4.059 50 30 EIEARN C=CCc1c2c(ccc1OC)[nH]cc2S(=O)(=O)c1ccc(C)cc1 ZINC000015083531 564074225 /nfs/dbraw/zinc/07/42/25/564074225.db2.gz XYNVSYBRPHMXKC-UHFFFAOYSA-N 0 0 341.432 4.046 50 30 EIEARN C=C(C)CSc1nc2sc3c(c2c(N)n1)C[C@H](C(C)C)OC3 ZINC000000477682 564074573 /nfs/dbraw/zinc/07/45/73/564074573.db2.gz HFRIZPDOPNFMQZ-LLVKDONJSA-N 0 0 335.498 4.039 50 30 EIEARN N#Cc1cccc(C(=O)Nc2ccccc2SCC(F)(F)F)c1 ZINC000012911552 564077981 /nfs/dbraw/zinc/07/79/81/564077981.db2.gz YDKHCRCUZNPALB-UHFFFAOYSA-N 0 0 336.338 4.465 50 30 EIEARN C=CCOc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000027990629 564079189 /nfs/dbraw/zinc/07/91/89/564079189.db2.gz MSVDERRRLWBUJG-UHFFFAOYSA-N 0 0 338.338 4.298 50 30 EIEARN Cc1nc(C(=O)N(c2ccc(F)cc2Cl)C(C)C)ccc1C#N ZINC000075140889 564080668 /nfs/dbraw/zinc/08/06/68/564080668.db2.gz CSWSWLSYVNJBTQ-UHFFFAOYSA-N 0 0 331.778 4.109 50 30 EIEARN O=C1Nc2ccccc2/C1=N/c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000075272766 564081337 /nfs/dbraw/zinc/08/13/37/564081337.db2.gz QHNIJYPPXRMHIR-UHFFFAOYSA-N 0 0 343.342 4.335 50 30 EIEARN C=CCn1c(SCc2ccccc2C#N)nnc1-c1ccccc1 ZINC000006592572 564081640 /nfs/dbraw/zinc/08/16/40/564081640.db2.gz IDIHLRHMESXSDV-UHFFFAOYSA-N 0 0 332.432 4.295 50 30 EIEARN O=C(/C(=C/c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000146437529 564081792 /nfs/dbraw/zinc/08/17/92/564081792.db2.gz JPMYPWYPVNCINE-SILNSSARSA-N 0 0 348.423 4.384 50 30 EIEARN N#Cc1cccc(OCC(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000006401675 564085591 /nfs/dbraw/zinc/08/55/91/564085591.db2.gz YMRHDKRJUCZFMP-UHFFFAOYSA-N 0 0 344.370 4.368 50 30 EIEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2cccs2)cc1 ZINC000239231209 564088017 /nfs/dbraw/zinc/08/80/17/564088017.db2.gz VDFOXRYEIZNRLG-UHFFFAOYSA-N 0 0 342.493 4.475 50 30 EIEARN N#Cc1ccc(CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 ZINC000006532088 564091644 /nfs/dbraw/zinc/09/16/44/564091644.db2.gz OBODBGKDLGOBPC-UHFFFAOYSA-N 0 0 346.459 4.368 50 30 EIEARN Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccccc3F)o2)cc1 ZINC000006589418 564092349 /nfs/dbraw/zinc/09/23/49/564092349.db2.gz MBZHKUIQZGQGDJ-CQSZACIVSA-N 0 0 339.395 4.411 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1cccc(Cl)c1 ZINC000006758280 564097281 /nfs/dbraw/zinc/09/72/81/564097281.db2.gz HUCDVQSVPBEBKM-MAUKXSAKSA-N 0 0 344.794 4.252 50 30 EIEARN Cc1ccccc1-n1c(SCCCC#N)nc2ccccc2c1=O ZINC000006787463 564097753 /nfs/dbraw/zinc/09/77/53/564097753.db2.gz AHCJFRSVELPPEB-UHFFFAOYSA-N 0 0 335.432 4.090 50 30 EIEARN N#Cc1ccc(Cl)cc1NC(=O)CSc1ccc2c(c1)CCC2 ZINC000006881854 564100613 /nfs/dbraw/zinc/10/06/13/564100613.db2.gz RSOQYOMODJBQCQ-UHFFFAOYSA-N 0 0 342.851 4.431 50 30 EIEARN CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccccc1C ZINC000007043787 564103638 /nfs/dbraw/zinc/10/36/38/564103638.db2.gz OENUGKPTDCBHKP-UHFFFAOYSA-N 0 0 334.448 4.437 50 30 EIEARN C[C@@H](C#N)Sc1nnc(Nc2ccccc2C(F)(F)F)s1 ZINC000007309917 564106679 /nfs/dbraw/zinc/10/66/79/564106679.db2.gz FTWWBISVJPMVKP-ZETCQYMHSA-N 0 0 330.360 4.305 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1ccccc1 ZINC000170615315 564109965 /nfs/dbraw/zinc/10/99/65/564109965.db2.gz KZAOVYSNZPXACK-CTNGQTDRSA-N 0 0 334.415 4.314 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1cccc(F)c1 ZINC000170615267 564110045 /nfs/dbraw/zinc/11/00/45/564110045.db2.gz RTOKJBUJALOTRM-AEFFLSMTSA-N 0 0 344.407 4.207 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccccc1 ZINC000170623395 564110434 /nfs/dbraw/zinc/11/04/34/564110434.db2.gz QPOUBOSLVZOEQM-WMZOPIPTSA-N 0 0 326.417 4.067 50 30 EIEARN COc1ccccc1/C=C/c1nc(C#N)c(N2C[C@H](C)C[C@H](C)C2)o1 ZINC000016768404 564113169 /nfs/dbraw/zinc/11/31/69/564113169.db2.gz GKEPKXMMECDKKN-WNJITKBNSA-N 0 0 337.423 4.208 50 30 EIEARN C=CCc1ccccc1OCCOc1ccc(C=O)cc1OCC ZINC000002876792 564117083 /nfs/dbraw/zinc/11/70/83/564117083.db2.gz HEYZTFNBYZJOFJ-UHFFFAOYSA-N 0 0 326.392 4.084 50 30 EIEARN COc1ccc(Cl)cc1CON=C(C)c1ccc(NC(C)=O)cc1 ZINC000252474729 564118973 /nfs/dbraw/zinc/11/89/73/564118973.db2.gz KYODKKFEFIMAQB-UHFFFAOYSA-N 0 0 346.814 4.248 50 30 EIEARN C=CCSc1nc2sc3c(c2c(=O)n1CC=C)C[C@H](C)CC3 ZINC000002197358 564120821 /nfs/dbraw/zinc/12/08/21/564120821.db2.gz SNHNRTKCALHBST-LLVKDONJSA-N 0 0 332.494 4.047 50 30 EIEARN CCN1C(=O)/C(=C/c2ccccc2OC)SC1=Nc1ccccc1 ZINC000252599754 564121163 /nfs/dbraw/zinc/12/11/63/564121163.db2.gz DLGASYBJMJZMMI-KLAKZEAMSA-N 0 0 338.432 4.319 50 30 EIEARN CCN1C(=O)/C(=C/c2cccc(O)c2)SC1=Nc1ccc(C)cc1 ZINC000252602445 564121216 /nfs/dbraw/zinc/12/12/16/564121216.db2.gz FIJHOHAKLJKISL-HDTIWSQQSA-N 0 0 338.432 4.325 50 30 EIEARN CCOc1cc(/C=C2\COc3ccccc3C2=O)ccc1OC(F)F ZINC000007747262 564122614 /nfs/dbraw/zinc/12/26/14/564122614.db2.gz NBUQIVUMZYNKTO-UKTHLTGXSA-N 0 0 346.329 4.345 50 30 EIEARN COCc1cc(C)nc2n[nH]c(N=Cc3ccc(Cl)cc3Cl)c21 ZINC000252625974 564123248 /nfs/dbraw/zinc/12/32/48/564123248.db2.gz QTGZKIKIWIWZMS-UHFFFAOYSA-N 0 0 349.221 4.470 50 30 EIEARN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000071770155 564129445 /nfs/dbraw/zinc/12/94/45/564129445.db2.gz WFEIIAIREWCXNS-JRPJDHJFSA-N 0 0 342.479 4.149 50 30 EIEARN C#CCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(N(C)C)cc1 ZINC000002333912 564132296 /nfs/dbraw/zinc/13/22/96/564132296.db2.gz WXWDUAGRUDSHAX-UHFFFAOYSA-N 0 0 346.430 4.220 50 30 EIEARN CC(C)Oc1ccc(-c2cc(C(F)(F)F)n3ncc(C#N)c3n2)cc1 ZINC000000116979 564132835 /nfs/dbraw/zinc/13/28/35/564132835.db2.gz FCZVLDLRBZCXOP-UHFFFAOYSA-N 0 0 346.312 4.074 50 30 EIEARN Cc1ccccc1OCc1nc(C#N)c(NCc2ccc(F)cc2)o1 ZINC000000200361 564133001 /nfs/dbraw/zinc/13/30/01/564133001.db2.gz QELKOCLUGHEZBE-UHFFFAOYSA-N 0 0 337.354 4.185 50 30 EIEARN CCc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000000566943 564133437 /nfs/dbraw/zinc/13/34/37/564133437.db2.gz RUHCDFWKZNPHJM-UHFFFAOYSA-N 0 0 340.448 4.078 50 30 EIEARN N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(Oc2ccccc2)nc1 ZINC000060333594 564133506 /nfs/dbraw/zinc/13/35/06/564133506.db2.gz GPLCXNYQNYLJGG-UHFFFAOYSA-N 0 0 346.346 4.266 50 30 EIEARN CCCC(=O)Nc1ccc(-n2ccnc2-c2cccc(C#N)c2)cc1C ZINC000077358348 564134215 /nfs/dbraw/zinc/13/42/15/564134215.db2.gz NTAVEUQKSHQHGQ-UHFFFAOYSA-N 0 0 344.418 4.458 50 30 EIEARN C[C@@H](NC(=O)c1ccc2ccc(Cl)cc2n1)c1ccc(C#N)cc1 ZINC000225461882 564135005 /nfs/dbraw/zinc/13/50/05/564135005.db2.gz ZTMVYKYENATIGP-GFCCVEGCSA-N 0 0 335.794 4.251 50 30 EIEARN COc1cc(C#N)ccc1O[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000012811184 564135626 /nfs/dbraw/zinc/13/56/26/564135626.db2.gz OUCYCXMEEUBGFN-ZDUSSCGKSA-N 0 0 335.363 4.065 50 30 EIEARN COc1cc(C#N)ccc1O[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000012811190 564135645 /nfs/dbraw/zinc/13/56/45/564135645.db2.gz OUCYCXMEEUBGFN-CYBMUJFWSA-N 0 0 335.363 4.065 50 30 EIEARN O=C(C[C@@H]1CCCCC(=O)N1)Nc1ccccc1[C@@H](O)C(F)(F)F ZINC000328588067 564136577 /nfs/dbraw/zinc/13/65/77/564136577.db2.gz OQGIAGFGJKWCMZ-ZUZCIYMTSA-N 0 0 344.333 4.160 50 30 EIEARN O=C(Nc1cc(Cl)c(Cl)cn1)N1CCC[C@@H]1c1ccncc1 ZINC000328595277 564136841 /nfs/dbraw/zinc/13/68/41/564136841.db2.gz PZIQFXCUAKMORX-CYBMUJFWSA-N 0 0 337.210 4.166 50 30 EIEARN C[C@@H](C#N)CNC(=O)Nc1ccccc1SCc1ccsc1 ZINC000095410840 564139689 /nfs/dbraw/zinc/13/96/89/564139689.db2.gz DFBKEVFPSGVBPE-LBPRGKRZSA-N 0 0 331.466 4.322 50 30 EIEARN CC(C)OCCCNc1oc([C@@H]2C[C@H]2c2ccccc2)nc1C#N ZINC000096346453 564146884 /nfs/dbraw/zinc/14/68/84/564146884.db2.gz BQNVNLGDIVYEEB-JKSUJKDBSA-N 0 0 325.412 4.044 50 30 EIEARN CC(C)OCCCNc1oc([C@@H]2C[C@@H]2c2ccccc2)nc1C#N ZINC000096346451 564146891 /nfs/dbraw/zinc/14/68/91/564146891.db2.gz BQNVNLGDIVYEEB-HZPDHXFCSA-N 0 0 325.412 4.044 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000002485809 564149867 /nfs/dbraw/zinc/14/98/67/564149867.db2.gz OJSNWNBFTVZHNE-CRAIPNDOSA-N 0 0 344.407 4.207 50 30 EIEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OC)c3C)C1=O)cn2C ZINC000028182462 564150607 /nfs/dbraw/zinc/15/06/07/564150607.db2.gz XMOAVMHYZTTWSP-OCKHKDLRSA-N 0 0 349.386 4.120 50 30 EIEARN N#Cc1ccc(COc2ccc3c(c2)oc(=O)cc3C(F)(F)F)cc1 ZINC000002651520 564151914 /nfs/dbraw/zinc/15/19/14/564151914.db2.gz AACOYFIZWBPMNT-UHFFFAOYSA-N 0 0 345.276 4.262 50 30 EIEARN Cc1nn(-c2ccccc2)c(Cl)c1C=C1C(=O)c2ccccc2C1=O ZINC000002752888 564152446 /nfs/dbraw/zinc/15/24/46/564152446.db2.gz CMFFDDXIHKDCMP-UHFFFAOYSA-N 0 0 348.789 4.297 50 30 EIEARN CCOC(=O)c1c(C)c2ccccc2nc1COc1ccccc1C#N ZINC000029360580 564153371 /nfs/dbraw/zinc/15/33/71/564153371.db2.gz HZRTWKSNZQWQOF-UHFFFAOYSA-N 0 0 346.386 4.171 50 30 EIEARN C[C@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl ZINC000030288407 564155810 /nfs/dbraw/zinc/15/58/10/564155810.db2.gz PGCMXLWKZYGYIL-NSHDSACASA-N 0 0 348.233 4.154 50 30 EIEARN N#Cc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000003233504 564156376 /nfs/dbraw/zinc/15/63/76/564156376.db2.gz HTOVOINKPNTMSP-UHFFFAOYSA-N 0 0 341.366 4.265 50 30 EIEARN N#Cc1ccc(COC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000003257461 564156679 /nfs/dbraw/zinc/15/66/79/564156679.db2.gz MZVIMFZJBGNOSU-UHFFFAOYSA-N 0 0 327.383 4.434 50 30 EIEARN COc1ccccc1-c1cccc(C(=O)N2CCC[C@@](C)(C#N)C2)c1 ZINC000670457309 564160285 /nfs/dbraw/zinc/16/02/85/564160285.db2.gz PVERALPZEFMLGC-NRFANRHFSA-N 0 0 334.419 4.128 50 30 EIEARN CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 ZINC000066516716 564162680 /nfs/dbraw/zinc/16/26/80/564162680.db2.gz OLZVIHAMNGEJIJ-CKDIWJPDSA-N 0 0 332.359 4.116 50 30 EIEARN C=CCOc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 ZINC000008104259 564162705 /nfs/dbraw/zinc/16/27/05/564162705.db2.gz WXUYSQMIMYQDND-UHFFFAOYSA-N 0 0 333.387 4.422 50 30 EIEARN C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccccc1 ZINC000066861208 564164457 /nfs/dbraw/zinc/16/44/57/564164457.db2.gz KKPMFSDNCKFJBW-CQSZACIVSA-N 0 0 325.437 4.131 50 30 EIEARN C=CCn1c(C)cc(-c2csc(NC(=O)c3ccncc3)n2)c1C ZINC000008709398 564166589 /nfs/dbraw/zinc/16/65/89/564166589.db2.gz DJWAPUOMJZTLRU-UHFFFAOYSA-N 0 0 338.436 4.062 50 30 EIEARN O=C(/C=C/c1nccn1CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000068274315 564167570 /nfs/dbraw/zinc/16/75/70/564167570.db2.gz FOEBXCNBFODWKT-AATRIKPKSA-N 0 0 348.246 4.360 50 30 EIEARN COc1ccc(C(C)=NN=c2[nH]c3ccccc3s2)c(OC)c1 ZINC000245225903 564168737 /nfs/dbraw/zinc/16/87/37/564168737.db2.gz ZIKKJSCRQJAWHG-UHFFFAOYSA-N 0 0 327.409 4.150 50 30 EIEARN C[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1 ZINC000069569430 564170569 /nfs/dbraw/zinc/17/05/69/564170569.db2.gz RNLXXTQLDGOALG-CQSZACIVSA-N 0 0 347.443 4.102 50 30 EIEARN Cc1nc(NC(=O)c2sccc2C2CC2)sc1SCC#N ZINC000069656802 564171225 /nfs/dbraw/zinc/17/12/25/564171225.db2.gz WXMCOTFKMXJHEB-UHFFFAOYSA-N 0 0 335.479 4.258 50 30 EIEARN N#Cc1cccc(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)c1 ZINC000069699006 564171549 /nfs/dbraw/zinc/17/15/49/564171549.db2.gz DNPHKJSOZXTHAU-HNNXBMFYSA-N 0 0 345.402 4.105 50 30 EIEARN O=C(Cc1ccccc1F)Nc1cccc(C#Cc2ccccc2)c1 ZINC000071828732 564175717 /nfs/dbraw/zinc/17/57/17/564175717.db2.gz KKTROEXDFWPLET-UHFFFAOYSA-N 0 0 329.374 4.407 50 30 EIEARN O=C(Nc1ccnc(OCc2ccccc2)c1)N1CCCC2(CC2)C1 ZINC000328647947 1023730609 /nfs/dbraw/zinc/73/06/09/1023730609.db2.gz HVXVWTKDCDGZFH-UHFFFAOYSA-N 0 0 337.423 4.082 50 30 EIEARN O=C(/C=C\c1csnn1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000097152244 1023826855 /nfs/dbraw/zinc/82/68/55/1023826855.db2.gz UPAHSTGTWBFIDM-WAYWQWQTSA-N 0 0 343.389 4.071 50 30 EIEARN C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2sc(-c3ccccc3)cc2C#N)O1 ZINC000332212829 1023890676 /nfs/dbraw/zinc/89/06/76/1023890676.db2.gz VHZGWENPSZVGTP-XHBSWPGZSA-N 0 0 326.421 4.039 50 30 EIEARN N#Cc1c(NC(=O)/C=C\c2ccc(F)cc2)sc2c1CCCC2 ZINC000006132619 1036031373 /nfs/dbraw/zinc/03/13/73/1036031373.db2.gz GKGWMSQDEHCONB-YFHOEESVSA-N 0 0 326.396 4.290 50 30 EIEARN COc1cc(/C=C\C(=O)c2nc3ccccc3s2)cc(OC)c1 ZINC000096861756 1039503816 /nfs/dbraw/zinc/50/38/16/1039503816.db2.gz LYNHMJJQZIESBX-FPLPWBNLSA-N 0 0 325.389 4.210 50 30 EIEARN N#Cc1c(N)c(C(=O)c2ccccc2)sc1Nc1cccc(F)c1 ZINC000001432381 1043080905 /nfs/dbraw/zinc/08/09/05/1043080905.db2.gz NXTQYQNGKOFCTH-UHFFFAOYSA-N 0 0 337.379 4.316 50 30 EIEARN CCCn1c(C)nc2cc(NC(=O)c3cc(F)cc(C#N)c3)ccc21 ZINC000823024308 1044225412 /nfs/dbraw/zinc/22/54/12/1044225412.db2.gz XOGFMFQNVKKSTN-UHFFFAOYSA-N 0 0 336.370 4.018 50 30 EIEARN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C[C@H]2CC[C@H](C)C2)c1C ZINC000131183919 1045172392 /nfs/dbraw/zinc/17/23/92/1045172392.db2.gz QMFJENSZPDTYCS-GUYCJALGSA-N 0 0 336.439 4.126 50 30 EIEARN CCOC(=O)c1oc2c(c1C)C(=O)/C(=C/c1ccccc1F)CC2 ZINC000032915302 1046101217 /nfs/dbraw/zinc/10/12/17/1046101217.db2.gz NVKRLBNDSJVNFM-JLHYYAGUSA-N 0 0 328.339 4.116 50 30 EIEARN CCOc1cc(/C=C/C(=O)c2ccnc(Cl)c2)cc(Cl)c1O ZINC000095468051 1047802526 /nfs/dbraw/zinc/80/25/26/1047802526.db2.gz XJRCFRWUTFCXGH-ONEGZZNKSA-N 0 0 338.190 4.389 50 30 EIEARN C#CCCC1(CCC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)N=N1 ZINC000952880920 1049681832 /nfs/dbraw/zinc/68/18/32/1049681832.db2.gz KMOQAPXAHDLUNR-IPMKNSEASA-N 0 0 335.451 4.137 50 30 EIEARN C[C@H](Nc1ccc(C#N)cn1)c1ccc(OCc2cccnc2)cc1 ZINC000052073641 214115259 /nfs/dbraw/zinc/11/52/59/214115259.db2.gz PQBFDAQIVPNMMN-HNNXBMFYSA-N 0 0 330.391 4.100 50 30 EIEARN N#CNC1=N[C@H](c2ccccc2)C2=C(N1)C(=Cc1ccccc1)CCC2 ZINC000004728763 210262778 /nfs/dbraw/zinc/26/27/78/210262778.db2.gz LGUAJZZMPFHDJE-WORNYLJVSA-N 0 0 340.430 4.279 50 30 EIEARN C=CCN(Cc1cccn1-c1cccnc1)Cc1ccccc1OC ZINC000055243172 214294126 /nfs/dbraw/zinc/29/41/26/214294126.db2.gz RREVMJUWVBDKOA-UHFFFAOYSA-N 0 0 333.435 4.069 50 30 EIEARN C=C(C)COc1ccccc1C(=O)N1CCC[C@H]1c1c(C)noc1C ZINC000055309286 214305274 /nfs/dbraw/zinc/30/52/74/214305274.db2.gz PDSYGOTWSDAASP-KRWDZBQOSA-N 0 0 340.423 4.224 50 30 EIEARN CCN1C(=O)/C(=C\c2ccncc2)S/C1=N\c1ccc(C)c(C)c1 ZINC000004661074 210240016 /nfs/dbraw/zinc/24/00/16/210240016.db2.gz YIWVFBQFESZRHO-CUNGHOPLSA-N 0 0 337.448 4.322 50 30 EIEARN N#Cc1cccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)c1 ZINC000098003001 219067703 /nfs/dbraw/zinc/06/77/03/219067703.db2.gz FPLWUJVPXHPEFY-VIZOYTHASA-N 0 0 343.169 4.210 50 30 EIEARN C=CCN(CC(F)(F)F)C(=O)c1csc(-c2ccccc2)n1 ZINC000058357344 214560680 /nfs/dbraw/zinc/56/06/80/214560680.db2.gz DJZUWJBMKKYTNB-UHFFFAOYSA-N 0 0 326.343 4.001 50 30 EIEARN O=C(/C=C\c1ccco1)c1cc2cc(Br)ccc2oc1=O ZINC000004530610 210215186 /nfs/dbraw/zinc/21/51/86/210215186.db2.gz LBRZOQPYAQAYLI-PLNGDYQASA-N 0 0 345.148 4.045 50 30 EIEARN CCOc1c(Cl)cc(C=C2C(=O)c3ccccc3C2=O)cc1OC ZINC000004525936 210213345 /nfs/dbraw/zinc/21/33/45/210213345.db2.gz FSGUKQDPWYQHQQ-UHFFFAOYSA-N 0 0 342.778 4.210 50 30 EIEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@@H](c3cccs3)[C@H]12 ZINC000100083742 219090841 /nfs/dbraw/zinc/09/08/41/219090841.db2.gz VNQPVGLEMOTYAH-MSOLQXFVSA-N 0 0 333.412 4.154 50 30 EIEARN N#Cc1ccccc1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000004176895 210139910 /nfs/dbraw/zinc/13/99/10/210139910.db2.gz SNSNTDJFAHPYPG-UHFFFAOYSA-N 0 0 326.355 4.042 50 30 EIEARN Cc1cccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)c1 ZINC000004138287 210129620 /nfs/dbraw/zinc/12/96/20/210129620.db2.gz CIFHIPOYPIKEAR-UHFFFAOYSA-N 0 0 346.430 4.184 50 30 EIEARN Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1ccccc1F ZINC000004116256 210123072 /nfs/dbraw/zinc/12/30/72/210123072.db2.gz MUOJURBEQSXPIM-VAWYXSNFSA-N 0 0 333.366 4.170 50 30 EIEARN CC1=C(c2cccc([N+](=O)[O-])c2)[C@@H](c2cccc([N+](=O)[O-])c2)CC1=O ZINC000004066173 210111561 /nfs/dbraw/zinc/11/15/61/210111561.db2.gz OUUITPBWLBBJPZ-MRXNPFEDSA-N 0 0 338.319 4.033 50 30 EIEARN FC(F)Oc1ccccc1CN=Nc1ccc(C(F)(F)F)cn1 ZINC000004058891 210110307 /nfs/dbraw/zinc/11/03/07/210110307.db2.gz WEFMPWGBGOVKCV-QPSGOUHRSA-N 0 0 331.244 4.148 50 30 EIEARN COc1ccc(Nc2oc(COc3cccc(C)c3)nc2C#N)cc1 ZINC000004058359 210109277 /nfs/dbraw/zinc/10/92/77/210109277.db2.gz VAUQZYVHGDOEDQ-UHFFFAOYSA-N 0 0 335.363 4.186 50 30 EIEARN COc1ccc(/C=C/C(=O)c2ccc(-n3cccc3)cc2)cc1OC ZINC000004050280 210108046 /nfs/dbraw/zinc/10/80/46/210108046.db2.gz VGLAZJDFNNGORL-VZUCSPMQSA-N 0 0 333.387 4.391 50 30 EIEARN N#CCSc1sc(C#N)c(NC(=O)C2CC2)c1-c1ccccc1 ZINC000004014214 210100671 /nfs/dbraw/zinc/10/06/71/210100671.db2.gz HYWXJPIEFHSGNB-UHFFFAOYSA-N 0 0 339.445 4.251 50 30 EIEARN O=C(/C=C/c1ccccn1)c1ccc(C(=O)/C=C/c2ccccn2)cc1 ZINC000004007398 210099231 /nfs/dbraw/zinc/09/92/31/210099231.db2.gz DZMILOAZQVYDST-PHEQNACWSA-N 0 0 340.382 4.269 50 30 EIEARN CCCCC#Cc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003997440 210097682 /nfs/dbraw/zinc/09/76/82/210097682.db2.gz JERVDTMQMZMJMZ-UHFFFAOYSA-N 0 0 327.449 4.338 50 30 EIEARN COc1ccc([C@H](C#N)N2N=C(C)C[C@@H]2c2ccccc2)cc1OC ZINC000003902326 210088471 /nfs/dbraw/zinc/08/84/71/210088471.db2.gz VEBXWEIDCNURCO-MSOLQXFVSA-N 0 0 335.407 4.091 50 30 EIEARN C[C@H](OC(=O)c1cccc(C#N)c1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000003404965 210030377 /nfs/dbraw/zinc/03/03/77/210030377.db2.gz ZLTKXMDXDZTQMP-AWEZNQCLSA-N 0 0 335.403 4.284 50 30 EIEARN CC(C)CN(C(=O)c1cccc(C#N)c1)c1nc2ccccc2s1 ZINC000003393765 210026681 /nfs/dbraw/zinc/02/66/81/210026681.db2.gz KPDMJSRQIUVRER-UHFFFAOYSA-N 0 0 335.432 4.471 50 30 EIEARN COc1ccc([C@H]2CC(=O)C=C(Nc3ccccc3N)C2)cc1OC ZINC000102878959 219237592 /nfs/dbraw/zinc/23/75/92/219237592.db2.gz JAOQCOASOVROEI-CVZTXRPJSA-N 0 0 338.407 4.378 50 30 EIEARN Cc1nc(C)c(-c2nnc(SCc3cc(C#N)ccc3F)o2)s1 ZINC000043794947 213597719 /nfs/dbraw/zinc/59/77/19/213597719.db2.gz GITHHXKZWHCRFH-UHFFFAOYSA-N 0 0 346.412 4.113 50 30 EIEARN C[C@H](Oc1ccc(Cl)cc1Cl)c1ccnc2c(C#N)cnn21 ZINC000003016192 209954822 /nfs/dbraw/zinc/95/48/22/209954822.db2.gz YFEZKZXZKXOOQB-VIFPVBQESA-N 0 0 333.178 4.048 50 30 EIEARN COc1cc(/C=C/C(=O)c2ccc(F)c(Cl)c2)cc(OC)c1O ZINC000040140038 213271605 /nfs/dbraw/zinc/27/16/05/213271605.db2.gz MVUIRAUZAAYYMB-ZZXKWVIFSA-N 0 0 336.746 4.098 50 30 EIEARN CN(Cc1ccc(Cl)cc1Cl)C(=O)NCC#Cc1ccccc1 ZINC000040071268 213258257 /nfs/dbraw/zinc/25/82/57/213258257.db2.gz WECMMHZPJZLIQP-UHFFFAOYSA-N 0 0 347.245 4.187 50 30 EIEARN COc1ccc([C@@H](C#N)c2nc3ccccc3nc2C(F)(F)F)cc1 ZINC000001404511 209741441 /nfs/dbraw/zinc/74/14/41/209741441.db2.gz NBZMRRBKFPEXIL-CYBMUJFWSA-N 0 0 343.308 4.313 50 30 EIEARN CC/N=C1\S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1CC ZINC000001071983 209708254 /nfs/dbraw/zinc/70/82/54/209708254.db2.gz HGKSQFRKJTUALD-JTHVCAJSSA-N 0 0 344.411 4.398 50 30 EIEARN O=C1CS/C(=N\c2cccc(Cl)c2Cl)N1Cc1ccco1 ZINC000001041707 209703469 /nfs/dbraw/zinc/70/34/69/209703469.db2.gz NAQDVYWYWDAQCM-VKAVYKQESA-N 0 0 341.219 4.350 50 30 EIEARN Cc1cccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 ZINC000000947392 209695228 /nfs/dbraw/zinc/69/52/28/209695228.db2.gz BCCBERJTVWPMGY-ZDUSSCGKSA-N 0 0 340.448 4.071 50 30 EIEARN CS[C@@H](C)C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000069702505 215541678 /nfs/dbraw/zinc/54/16/78/215541678.db2.gz AKGAQUMYGIDFRE-CBAPKCEASA-N 0 0 344.383 4.243 50 30 EIEARN CC(C)N(C(=O)c1csc(-c2ccco2)n1)c1cccc(C#N)c1 ZINC000069702607 215541372 /nfs/dbraw/zinc/54/13/72/215541372.db2.gz RKEALRQLPSROKX-UHFFFAOYSA-N 0 0 337.404 4.330 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(C=Cc2ccco2)C[C@H]1c1ccccc1 ZINC000000447251 209605014 /nfs/dbraw/zinc/60/50/14/209605014.db2.gz NNXQOKQHXMPRDJ-YDBWALOYSA-N 0 0 336.387 4.155 50 30 biogenic EIEARN N#Cc1nc(-c2cccnc2)oc1N1CCC(Cc2ccccc2)CC1 ZINC000035672108 213045435 /nfs/dbraw/zinc/04/54/35/213045435.db2.gz GONKFWDKHOMNQK-UHFFFAOYSA-N 0 0 344.418 4.067 50 30 EIEARN C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000031663435 212742317 /nfs/dbraw/zinc/74/23/17/212742317.db2.gz BGVGAMNOSWSLHC-LLVKDONJSA-N 0 0 349.312 4.340 50 30 EIEARN CCCC(=O)C1=C(N2CCCC2)C[C@@H](C[C@@H](C)SCC)CC1=O ZINC000000287484 209519028 /nfs/dbraw/zinc/51/90/28/209519028.db2.gz MDCRZNOMFMQRMO-HUUCEWRRSA-N 0 0 337.529 4.216 50 30 EIEARN O=C(C=CNc1ccc(I)cc1)c1ccccc1 ZINC000000276618 209514769 /nfs/dbraw/zinc/51/47/69/209514769.db2.gz QVXNCLZUAUSFIR-ZHACJKMWSA-N 0 0 349.171 4.100 50 30 EIEARN N#CCC(=O)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000072333506 216156100 /nfs/dbraw/zinc/15/61/00/216156100.db2.gz HHEHMLWJLZAKHM-UHFFFAOYSA-N 0 0 335.388 4.455 50 30 EIEARN CCC(=O)N(/C=C1\Sc2ccccc2C1=O)c1ccccc1OC ZINC000000186123 209472099 /nfs/dbraw/zinc/47/20/99/209472099.db2.gz XDFFOTSIQPSYRB-ATVHPVEESA-N 0 0 339.416 4.268 50 30 EIEARN CCOc1ccccc1NC1=C(Cl)C(=O)c2ccccc2C1=O ZINC000000087491 209410647 /nfs/dbraw/zinc/41/06/47/209410647.db2.gz QOMDVZZHWUWJDC-UHFFFAOYSA-N 0 0 327.767 4.027 50 30 EIEARN N#Cc1cc2c(nc1SCC(=O)c1ccc(Cl)cc1)CCCC2 ZINC000000047871 209389676 /nfs/dbraw/zinc/38/96/76/209389676.db2.gz HPHCHBMUOXSQIP-UHFFFAOYSA-N 0 0 342.851 4.460 50 30 EIEARN Cc1ccc2nc(C)c(C(=O)Nc3ccc(OCC#N)cc3)cc2c1 ZINC000026502522 212522884 /nfs/dbraw/zinc/52/28/84/212522884.db2.gz ZSJOFYOOYLWNFK-UHFFFAOYSA-N 0 0 331.375 4.006 50 30 EIEARN CN(CC(=O)NCC(F)(F)F)C(c1ccccc1)c1ccccc1 ZINC000023752522 212394521 /nfs/dbraw/zinc/39/45/21/212394521.db2.gz VLLRFMSFJSAQCP-UHFFFAOYSA-N 0 0 336.357 4.227 50 30 EIEARN COc1ccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 ZINC000022879322 212331599 /nfs/dbraw/zinc/33/15/99/212331599.db2.gz DRTOJLNNZHNRTK-UHFFFAOYSA-N 0 0 333.412 4.409 50 30 EIEARN C[Si](C)(C)CCCN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1 ZINC000195818648 241035312 /nfs/dbraw/zinc/03/53/12/241035312.db2.gz OZBUGOLUDBTQSD-UHFFFAOYSA-N 0 0 337.495 4.434 50 30 EIEARN N#C[C@@]1(c2nc3ccccc3s2)Cc2c(F)cccc2N2CCC[C@H]21 ZINC000229925195 242215937 /nfs/dbraw/zinc/21/59/37/242215937.db2.gz XRLHFAJLQSUKJX-ICSRJNTNSA-N 0 0 349.434 4.422 50 30 EIEARN CCN(CC)c1ccc(/C=C2\S/C(=N\C3CCCC3)NC2=O)cc1 ZINC000020987334 212194628 /nfs/dbraw/zinc/19/46/28/212194628.db2.gz CYTSCLDKEUEORB-LGMDPLHJSA-N 0 0 343.496 4.035 50 30 EIEARN N#Cc1c(NCc2ccncc2)nc(-c2ccco2)c2c1CCCC2 ZINC000020591423 212149995 /nfs/dbraw/zinc/14/99/95/212149995.db2.gz POLFPVDNIPEHGX-UHFFFAOYSA-N 0 0 330.391 4.099 50 30 EIEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(C)c1)O2 ZINC000020533373 212144870 /nfs/dbraw/zinc/14/48/70/212144870.db2.gz LQICTFYVTYLQAR-UNOMPAQXSA-N 0 0 337.419 4.159 50 30 EIEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(C)o1)O2 ZINC000020519092 212142562 /nfs/dbraw/zinc/14/25/62/212142562.db2.gz HHAHMZQUSFDEST-WQRHYEAKSA-N 0 0 341.407 4.142 50 30 EIEARN CCCCN(C)c1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2 ZINC000020461326 212133938 /nfs/dbraw/zinc/13/39/38/212133938.db2.gz CEWROLPLHGNJSD-UHFFFAOYSA-N 0 0 339.439 4.301 50 30 EIEARN N#CCN1CCC(c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)CC1 ZINC000020405648 212125771 /nfs/dbraw/zinc/12/57/71/212125771.db2.gz KPYZZLINFBXAFO-UHFFFAOYSA-N 0 0 335.238 4.086 50 30 EIEARN Cc1ccc(CN2CCN(/N=C/c3ccccc3Cl)CC2)c(C)c1 ZINC000020171033 212108580 /nfs/dbraw/zinc/10/85/80/212108580.db2.gz QJBYSMWLKXSKEM-HYARGMPZSA-N 0 0 341.886 4.109 50 30 EIEARN C[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000078938064 217152523 /nfs/dbraw/zinc/15/25/23/217152523.db2.gz NDZAXJIFJRFSRM-NSHDSACASA-N 0 0 348.328 4.197 50 30 EIEARN COc1cc2c(cc1OC)C(=O)/C(=C\c1cccc3cccnc13)C2 ZINC000085877119 217687197 /nfs/dbraw/zinc/68/71/97/217687197.db2.gz YOECVYVSYQDGNP-SXGWCWSVSA-N 0 0 331.371 4.074 50 30 biogenic EIEARN N#Cc1ccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1 ZINC000012917967 211482636 /nfs/dbraw/zinc/48/26/36/211482636.db2.gz IDXBHRVNZZDKES-UHFFFAOYSA-N 0 0 328.774 4.156 50 30 EIEARN C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000012660411 211430636 /nfs/dbraw/zinc/43/06/36/211430636.db2.gz POZRVZJJTULAOH-QITMKZSESA-N 0 0 337.463 4.221 50 30 biogenic EIEARN Cc1ccc(C=CC(=O)C2=C(C)N(C)C(=O)N[C@H]2c2ccccc2)cc1 ZINC000012391159 211366159 /nfs/dbraw/zinc/36/61/59/211366159.db2.gz JHMXYRYPVCKRKS-ARKBFRDHSA-N 0 0 346.430 4.248 50 30 EIEARN CN(Cc1ccccc1Br)Cc1cc(C#N)ccc1F ZINC000011461859 211217580 /nfs/dbraw/zinc/21/75/80/211217580.db2.gz TVMJHUAQIPOWAP-UHFFFAOYSA-N 0 0 333.204 4.092 50 30 EIEARN COc1ccc([C@@H]2CCCN2Cc2ccc(C#N)cc2F)c(OC)c1 ZINC000011439949 211217159 /nfs/dbraw/zinc/21/71/59/211217159.db2.gz LBJGMAAVPFZXHT-IBGZPJMESA-N 0 0 340.398 4.052 50 30 EIEARN C[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1C#N ZINC000011039226 211201739 /nfs/dbraw/zinc/20/17/39/211201739.db2.gz PZAAZJFYKJQBQH-NSHDSACASA-N 0 0 333.313 4.016 50 30 EIEARN CC(C)c1nnc(SCc2ccccc2C#N)n1Cc1ccco1 ZINC000010934334 211196573 /nfs/dbraw/zinc/19/65/73/211196573.db2.gz UZXSPVGVWLLICH-UHFFFAOYSA-N 0 0 338.436 4.207 50 30 EIEARN C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1NC[C@H]1CCCO1 ZINC000010383691 211168825 /nfs/dbraw/zinc/16/88/25/211168825.db2.gz UXHHOVHHCQICIA-QGZVFWFLSA-N 0 0 348.450 4.024 50 30 EIEARN C=CCn1c(SCC#N)nnc1-c1cc2c(s1)CC[C@H](CC)C2 ZINC000009944539 211135012 /nfs/dbraw/zinc/13/50/12/211135012.db2.gz UTQOKFYHBAYPHX-LBPRGKRZSA-N 0 0 344.509 4.323 50 30 EIEARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccc(C#N)cc2Cl)c1C ZINC000009512991 211094772 /nfs/dbraw/zinc/09/47/72/211094772.db2.gz OLNRCDXPYMSDHC-GFCCVEGCSA-N 0 0 344.798 4.009 50 30 EIEARN CNc1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N ZINC000008844507 211010712 /nfs/dbraw/zinc/01/07/12/211010712.db2.gz MRKVTFXALALKJK-UHFFFAOYSA-N 0 0 329.743 4.080 50 30 EIEARN COCCSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N ZINC000008843595 211009181 /nfs/dbraw/zinc/00/91/81/211009181.db2.gz DKFNAPYEQAUITA-UHFFFAOYSA-N 0 0 338.354 4.378 50 30 EIEARN CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(C)=O ZINC000008860494 211012333 /nfs/dbraw/zinc/01/23/33/211012333.db2.gz CRJGESKKUOMBCT-VQTJNVASSA-N 0 0 343.552 4.326 50 30 in-vitro EIEARN C=C(C)CN(CC)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000095397932 218330698 /nfs/dbraw/zinc/33/06/98/218330698.db2.gz DDWBZCBIXAAMSE-HSZRJFAPSA-N 0 0 336.501 4.164 50 30 EIEARN COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1O ZINC000007714238 210835035 /nfs/dbraw/zinc/83/50/35/210835035.db2.gz HOXSRMNLQWRBBQ-BJMVGYQFSA-N 0 0 326.392 4.429 50 30 EIEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC#N)n2)cc1 ZINC000006389097 210627432 /nfs/dbraw/zinc/62/74/32/210627432.db2.gz LGNXIZJJBBMYDN-UHFFFAOYSA-N 0 0 349.337 4.263 50 30 EIEARN COc1ccc(/C=C2/COc3ccccc3C2=O)cc1Br ZINC000096767414 218889419 /nfs/dbraw/zinc/88/94/19/218889419.db2.gz BPKPSDMXXRSDJB-WQLSENKSSA-N 0 0 345.192 4.116 50 30 EIEARN O=C(/C=C\c1cc(Br)cs1)c1ccc2c(c1)OCO2 ZINC000096766828 218889545 /nfs/dbraw/zinc/88/95/45/218889545.db2.gz XLDJNOLOARUFRX-IHWYPQMZSA-N 0 0 337.194 4.135 50 30 EIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1ccccc1 ZINC000005278103 210432532 /nfs/dbraw/zinc/43/25/32/210432532.db2.gz DCJCRDHNJBPXAW-WQRHYEAKSA-N 0 0 332.311 4.115 50 30 EIEARN CC(=O)c1ccc(NC=CC(=O)c2ccc(Br)cc2)cc1 ZINC000005260835 210427700 /nfs/dbraw/zinc/42/77/00/210427700.db2.gz ZSBQRIPAWOXYOM-ZHACJKMWSA-N 0 0 344.208 4.460 50 30 EIEARN COc1ccc2c(c1)OCC/C2=N\OC(=O)c1cccc2ccccc21 ZINC000005074214 210385497 /nfs/dbraw/zinc/38/54/97/210385497.db2.gz ALXSGXLTTFQYJZ-ZBJSNUHESA-N 0 0 347.370 4.192 50 30 EIEARN O=C(/C=C/c1cc(Br)cs1)c1cccc([N+](=O)[O-])c1 ZINC000005128428 210396923 /nfs/dbraw/zinc/39/69/23/210396923.db2.gz LHUAWCVYRFSXAV-SNAWJCMRSA-N 0 0 338.182 4.315 50 30 EIEARN CCc1nc2ccccc2c(C(=O)OCc2ccc(C#N)cc2)c1C ZINC000004977676 210346946 /nfs/dbraw/zinc/34/69/46/210346946.db2.gz SVXLZMUMCNDCGE-UHFFFAOYSA-N 0 0 330.387 4.334 50 30 EIEARN COc1ccc(OC)c(C=NNc2nc3cc(C)ccc3cc2C)c1 ZINC000004951978 210337937 /nfs/dbraw/zinc/33/79/37/210337937.db2.gz COKBBSIAMURFBV-CIAFOILYSA-N 0 0 335.407 4.315 50 30 EIEARN Cc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 ZINC000004914597 210323082 /nfs/dbraw/zinc/32/30/82/210323082.db2.gz OWBBIUUXEPUDLS-SJLPKXTDSA-N 0 0 349.405 4.138 50 30 EIEARN Cc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 ZINC000004914595 210322684 /nfs/dbraw/zinc/32/26/84/210322684.db2.gz OWBBIUUXEPUDLS-AEFFLSMTSA-N 0 0 349.405 4.138 50 30 EIEARN COc1ccccc1/C=C/c1nc(C#N)c(NCc2ccccc2)o1 ZINC000004851948 210300979 /nfs/dbraw/zinc/30/09/79/210300979.db2.gz GUOXOKUUNZYKBZ-VAWYXSNFSA-N 0 0 331.375 4.337 50 30 EIEARN Clc1ccc(N=NCc2c3ccccc3nc3ccccc32)nn1 ZINC000004811926 210282767 /nfs/dbraw/zinc/28/27/67/210282767.db2.gz ZOSSSWONKKZDHL-RGVLZGJSSA-N 0 0 333.782 4.277 50 30 EIEARN CSC1=N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)S1 ZINC000004755164 210271902 /nfs/dbraw/zinc/27/19/02/210271902.db2.gz UBPHHAJMEKKZIK-FLIBITNWSA-N 0 0 346.389 4.188 50 30 EIEARN CNC(=O)c1cccc(NC(=O)N[C@H](C)c2ccccc2SC)c1 ZINC000330032270 258002232 /nfs/dbraw/zinc/00/22/32/258002232.db2.gz KNUZUBHZRCDUPA-GFCCVEGCSA-N 0 0 343.452 4.430 50 30 EIEARN C[C@H](CNc1ccccc1)NC(=O)c1cc(O)ccc1C(F)(F)F ZINC000330032298 258002338 /nfs/dbraw/zinc/00/23/38/258002338.db2.gz LYFZNNXPZLCIBS-LLVKDONJSA-N 0 0 338.329 4.216 50 30 EIEARN C=C(Cl)C[S@@](=O)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000097164070 258011905 /nfs/dbraw/zinc/01/19/05/258011905.db2.gz XYWBWSXKONKWOA-FQEVSTJZSA-N 0 0 333.812 4.090 50 30 EIEARN C#C[C@@]1(O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@]4(C)O)[C@H]3CC[C@H]2C1 ZINC000253604718 258014654 /nfs/dbraw/zinc/01/46/54/258014654.db2.gz DJTOPBVAPKKSCO-QDALDZMESA-N 0 0 330.512 4.144 50 30 EIEARN N#CCCCCCCC(=O)c1cccc(I)c1 ZINC000002392832 258049385 /nfs/dbraw/zinc/04/93/85/258049385.db2.gz YNGAYZJNJBBQNV-UHFFFAOYSA-N 0 0 341.192 4.338 50 30 EIEARN C=CCOc1ccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000006605702 258052168 /nfs/dbraw/zinc/05/21/68/258052168.db2.gz YDRQYRHFUQDGJA-VGOFMYFVSA-N 0 0 347.414 4.274 50 30 EIEARN COC(=O)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C=CCC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257346516 258073704 /nfs/dbraw/zinc/07/37/04/258073704.db2.gz NYAVTQHXZMLSRY-NILCCBDTSA-N 0 0 328.452 4.084 50 30 EIEARN CCc1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000001740051 135656119 /nfs/dbraw/zinc/65/61/19/135656119.db2.gz XHRUDPNKJJBSIW-RCCKNPSSSA-N 0 0 327.859 4.059 50 30 EIEARN C=CCn1c2ccccc2nc1SCCOc1ccc(OC)cc1 ZINC000011667473 519269069 /nfs/dbraw/zinc/26/90/69/519269069.db2.gz OVVNDAFONODKFK-UHFFFAOYSA-N 0 0 340.448 4.402 50 30 EIEARN C=CCn1cc(CN(Cc2ccccc2)Cc2ncccc2C)c(C)n1 ZINC000055392811 519279172 /nfs/dbraw/zinc/27/91/72/519279172.db2.gz TUHBDJFWJQIXOD-UHFFFAOYSA-N 0 0 346.478 4.283 50 30 EIEARN CC(=O)N1C[C@H](CCC(=O)Nc2cccc(O)c2F)c2ccccc21 ZINC000328587869 519636062 /nfs/dbraw/zinc/63/60/62/519636062.db2.gz CXMZVVAZWPVILS-ZDUSSCGKSA-N 0 0 342.370 4.050 50 30 EIEARN CCCCCCCCCCSc1nc(NC(C)=O)nn1C(C)=O ZINC000100549611 520024321 /nfs/dbraw/zinc/02/43/21/520024321.db2.gz XDWHMUXQDZRKRV-UHFFFAOYSA-N 0 0 340.493 4.129 50 30 EIEARN CCCOc1ccc(NC=CC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000002992061 520383698 /nfs/dbraw/zinc/38/36/98/520383698.db2.gz WRLKMROJFQEVSA-VAWYXSNFSA-N 0 0 341.407 4.301 50 30 EIEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(C)cc1 ZINC000004626416 521170325 /nfs/dbraw/zinc/17/03/25/521170325.db2.gz BUTBGYOWKKIGQB-QFBILLFUSA-N 0 0 343.467 4.496 50 30 EIEARN Cc1cccc(CC(=O)Nc2cccc3c2OCC[C@H]3O)c1Cl ZINC000328588334 524344071 /nfs/dbraw/zinc/34/40/71/524344071.db2.gz NWCRFXPUIZFEAK-OAHLLOKOSA-N 0 0 331.799 4.295 50 30 EIEARN Cc1ccc(N(CCC#N)C(=O)COc2ccc(F)c(Cl)c2)cc1 ZINC000007126356 524898030 /nfs/dbraw/zinc/89/80/30/524898030.db2.gz CHNQTFMGLMBWPH-UHFFFAOYSA-N 0 0 346.789 4.113 50 30 EIEARN COc1ccc([C@@H](C#N)N2N=C(C)C[C@H]2c2ccccc2)c(OC)c1 ZINC000239235469 525115949 /nfs/dbraw/zinc/11/59/49/525115949.db2.gz WAQZDUSJOXUGHC-RBUKOAKNSA-N 0 0 335.407 4.091 50 30 EIEARN CSC(=NCc1ccco1)Nc1n[nH]c(C)c1-c1ccccc1F ZINC000020440155 525285837 /nfs/dbraw/zinc/28/58/37/525285837.db2.gz UXOWMJJDLGZFHJ-UHFFFAOYSA-N 0 0 344.415 4.448 50 30 EIEARN Cc1cc(Sc2ccccc2)ccc1NC(=O)CSCC#N ZINC000056473935 525442244 /nfs/dbraw/zinc/44/22/44/525442244.db2.gz UEMHFRRBSAJZKR-UHFFFAOYSA-N 0 0 328.462 4.342 50 30 EIEARN COc1cccc(C(=O)/C=C/c2cc(Br)ccc2OC)c1 ZINC000005073184 525779014 /nfs/dbraw/zinc/77/90/14/525779014.db2.gz HXQWROMIASGFHI-SOFGYWHQSA-N 0 0 347.208 4.362 50 30 EIEARN N#CCC[C@@H](C#N)CN1CCC(c2ccccc2Br)CC1 ZINC000189809861 526463444 /nfs/dbraw/zinc/46/34/44/526463444.db2.gz RKGAGQZDJVBQGD-AWEZNQCLSA-N 0 0 346.272 4.072 50 30 EIEARN Cc1sc(N=Cc2ccc(Br)s2)c(C(N)=O)c1C ZINC000252462813 564118754 /nfs/dbraw/zinc/11/87/54/564118754.db2.gz WNBKCFFXYWVLHF-UHFFFAOYSA-N 0 0 343.271 4.038 50 30 EIEARN N#CC1(C#N)[C@H](C(=O)c2ccc(Br)cc2)C12CCCCC2 ZINC000000499513 563339097 /nfs/dbraw/zinc/33/90/97/563339097.db2.gz UJFMAPCCRFXTHX-OAHLLOKOSA-N 0 0 343.224 4.246 50 30 EIEARN Cc1nn(C(C)(C)C)c(C)c1C=NOC(=O)Nc1ccc(Cl)cc1 ZINC000000139949 563241923 /nfs/dbraw/zinc/24/19/23/563241923.db2.gz KOOVEQKFKSCTMT-VXLYETTFSA-N 0 0 348.834 4.491 50 30 EIEARN O=C(O/N=C1\CCOc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000000190009 563256233 /nfs/dbraw/zinc/25/62/33/563256233.db2.gz AYQREQLLXRMNMD-XMHGGMMESA-N 0 0 336.174 4.337 50 30 EIEARN S=C(N/N=C/c1ccc(Cl)cc1Cl)NC1CCCCC1 ZINC000002143447 563423807 /nfs/dbraw/zinc/42/38/07/563423807.db2.gz UBSHUZTVWSOMCL-RQZCQDPDSA-N 0 0 330.284 4.124 50 30 EIEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1ccc(Cl)cc1 ZINC000002206488 563426947 /nfs/dbraw/zinc/42/69/47/563426947.db2.gz LEHLYTRJOAROHP-GIJQJNRQSA-N 0 0 349.246 4.423 50 30 EIEARN CC1(C)[C@H]2CC[C@]1(C)C(O)=C2C(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000002242743 563427670 /nfs/dbraw/zinc/42/76/70/563427670.db2.gz PEWOESYEGLBLNR-MVKOHCKWSA-N 0 0 348.258 4.030 50 30 EIEARN Fc1ccc(NC(=S)N/N=C/c2cccc(Cl)c2Cl)cc1 ZINC000002506362 563434960 /nfs/dbraw/zinc/43/49/60/563434960.db2.gz TWPVQTRGYWJENA-QGMBQPNBSA-N 0 0 342.226 4.453 50 30 EIEARN Cc1c(C#N)c2nc3ccccc3n2c(N2CCCCC2)c1CCC#N ZINC000004042206 563492861 /nfs/dbraw/zinc/49/28/61/563492861.db2.gz RGBXCLAQWLGRIM-UHFFFAOYSA-N 0 0 343.434 4.114 50 30 EIEARN CC1(C)CC(=O)C(Br)=C(Nc2ccccc2[N+](=O)[O-])C1 ZINC000005177981 563522103 /nfs/dbraw/zinc/52/21/03/563522103.db2.gz WVRCPBAGPOWMPB-UHFFFAOYSA-N 0 0 339.189 4.002 50 30 EIEARN CN(C)c1ccc(NC2=C(Br)C(=O)CC(C)(C)C2)cc1 ZINC000005190228 563522395 /nfs/dbraw/zinc/52/23/95/563522395.db2.gz BTFLMJZZVMOYMQ-UHFFFAOYSA-N 0 0 337.261 4.160 50 30 EIEARN CCOc1cccc(/C=N/c2ccc(Br)cc2F)c1O ZINC000005287483 563525280 /nfs/dbraw/zinc/52/52/80/563525280.db2.gz XHGJGIHUWNDLTF-GIJQJNRQSA-N 0 0 338.176 4.443 50 30 EIEARN Cc1ccc2[nH]c(CSc3nc4c(cc3C#N)CCCC4)nc2c1 ZINC000006493793 563570396 /nfs/dbraw/zinc/57/03/96/563570396.db2.gz ZAEYVJKJLZAYDU-UHFFFAOYSA-N 0 0 334.448 4.309 50 30 EIEARN CC1(C)CC(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)C1 ZINC000003066867 563631913 /nfs/dbraw/zinc/63/19/13/563631913.db2.gz KLKPTPGPZWKOOR-UHFFFAOYSA-N 0 0 339.347 4.196 50 30 EIEARN O=C(Nc1cc(C(F)(F)F)c(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000008729903 563638121 /nfs/dbraw/zinc/63/81/21/563638121.db2.gz HJUKMKSJPNUVPB-UHFFFAOYSA-N 0 0 336.575 4.417 50 30 EIEARN N#CCc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 ZINC000012794766 563672250 /nfs/dbraw/zinc/67/22/50/563672250.db2.gz FJPONJALIRQNEV-UHFFFAOYSA-N 0 0 325.418 4.190 50 30 EIEARN Cc1cccc(/N=C2/NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)c1 ZINC000016663502 563819699 /nfs/dbraw/zinc/81/96/99/563819699.db2.gz NWPCLXNQVADHEI-WQRHYEAKSA-N 0 0 347.443 4.378 50 30 EIEARN Cc1ccc(C=NN2C(=S)N=NC2c2ccc(C(C)(C)C)cc2)o1 ZINC000016996566 563828058 /nfs/dbraw/zinc/82/80/58/563828058.db2.gz NCBZJPBCZXTQRI-YBFXNURJSA-N 0 0 340.452 4.315 50 30 EIEARN CC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccccc1 ZINC000018155908 563850056 /nfs/dbraw/zinc/85/00/56/563850056.db2.gz PMWXPUPDXYDMQY-NRFANRHFSA-N 0 0 332.403 4.213 50 30 EIEARN Cc1c(NC(=O)Nc2cnc3c(c2)CCCC3)cnn1C1CCCC1 ZINC000328600250 563860525 /nfs/dbraw/zinc/86/05/25/563860525.db2.gz CVYULYZUDBLAHW-UHFFFAOYSA-N 0 0 339.443 4.238 50 30 EIEARN CCOc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1O ZINC000072333015 563936050 /nfs/dbraw/zinc/93/60/50/563936050.db2.gz JMUXDILAUXTVTI-DHZHZOJOSA-N 0 0 347.208 4.450 50 30 EIEARN COc1ccc(-c2csc(C(C#N)C(=O)C[C@@H]3C=CCC3)n2)cc1 ZINC000058305124 563942093 /nfs/dbraw/zinc/94/20/93/563942093.db2.gz NXNBRXXYEAJERZ-CZUORRHYSA-N 0 0 338.432 4.351 50 30 EIEARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1C#N ZINC000002543664 563950647 /nfs/dbraw/zinc/95/06/47/563950647.db2.gz DMAWHJKJVWIENG-UHFFFAOYSA-N 0 0 337.766 4.427 50 30 EIEARN COc1ccc(-c2nc(CN3CCC(C#N)CC3)c(C)o2)c(C)c1C ZINC000071779885 563965790 /nfs/dbraw/zinc/96/57/90/563965790.db2.gz PMQJHIARJQUYGO-UHFFFAOYSA-N 0 0 339.439 4.011 50 30 EIEARN C=CCN(C(=O)c1sc2nc(CC)nc(C)c2c1C)C1CCCC1 ZINC000060559921 563965867 /nfs/dbraw/zinc/96/58/67/563965867.db2.gz MUYXAWQTVFIBQQ-UHFFFAOYSA-N 0 0 343.496 4.441 50 30 EIEARN CCOc1ccc(/C=C2/C(=O)ON=C2c2ccc(Cl)cc2)cc1 ZINC000000042368 563973064 /nfs/dbraw/zinc/97/30/64/563973064.db2.gz ASLIHONLRFCLIV-LFIBNONCSA-N 0 0 327.767 4.083 50 30 EIEARN N#Cc1ccccc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071746610 563982919 /nfs/dbraw/zinc/98/29/19/563982919.db2.gz AYOHCHGFKVSORM-KRWDZBQOSA-N 0 0 336.410 4.182 50 30 EIEARN N#Cc1c(N)nc(-c2ccc(Cl)cc2Cl)cc1[C@H]1CCOC1 ZINC000071759512 563983025 /nfs/dbraw/zinc/98/30/25/563983025.db2.gz OWPBAZUERWZKTA-VIFPVBQESA-N 0 0 334.206 4.013 50 30 EIEARN N#Cc1c(Br)cccc1N1CCC(C(F)(F)F)CC1 ZINC000095495731 563983956 /nfs/dbraw/zinc/98/39/56/563983956.db2.gz RGMZSJSVUIMGAY-UHFFFAOYSA-N 0 0 333.151 4.099 50 30 EIEARN Cn1ccc([C@@H](NC(=O)Cc2cccs2)c2ccc(Cl)cc2)n1 ZINC000328587424 563984042 /nfs/dbraw/zinc/98/40/42/563984042.db2.gz QGSXWCONEDLMNT-KRWDZBQOSA-N 0 0 345.855 4.424 50 30 EIEARN COc1ccc(CNc2oc(COc3ccc(C)cc3)nc2C#N)cc1 ZINC000000108208 563986565 /nfs/dbraw/zinc/98/65/65/563986565.db2.gz VHQVCCUHUKSTPD-UHFFFAOYSA-N 0 0 349.390 4.054 50 30 EIEARN CCc1ccc(/C=N/n2cnnc2SCc2ccc(C)cc2)cc1 ZINC000000147675 563987257 /nfs/dbraw/zinc/98/72/57/563987257.db2.gz TWXURJZTHPUJBM-CIAFOILYSA-N 0 0 336.464 4.323 50 30 EIEARN O=C1c2ccc(OCc3ccccc3F)cc2O/C1=C\c1ccncc1 ZINC000005179027 564000069 /nfs/dbraw/zinc/00/00/69/564000069.db2.gz ZHMIEFUXLHTSOR-JAIQZWGSSA-N 0 0 347.345 4.416 50 30 EIEARN COc1ccc(-c2nnc(S[C@H](C)C#N)n2C2CCCCC2)cc1 ZINC000005213052 564001092 /nfs/dbraw/zinc/00/10/92/564001092.db2.gz SGHQPTRLURVIPN-CYBMUJFWSA-N 0 0 342.468 4.463 50 30 EIEARN CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OC)cc3)S2)cc1 ZINC000005376412 564003238 /nfs/dbraw/zinc/00/32/38/564003238.db2.gz QFBGINAIZZUZIV-ATVHPVEESA-N 0 0 338.432 4.149 50 30 EIEARN N#Cc1nc(COc2cccc(Cl)c2)oc1N1CCCCCC1 ZINC000000108568 564003595 /nfs/dbraw/zinc/00/35/95/564003595.db2.gz UYJCRCRDSVIYIZ-UHFFFAOYSA-N 0 0 331.803 4.159 50 30 EIEARN N#Cc1ccc(NC(=O)c2c3ccccc3nc3c2CCCC3)cc1 ZINC000002634627 564003916 /nfs/dbraw/zinc/00/39/16/564003916.db2.gz QWHYDKOCMUAZES-UHFFFAOYSA-N 0 0 327.387 4.238 50 30 EIEARN N#CCCN(C(=O)CSc1ccc2ccccc2n1)c1ccccc1 ZINC000005627363 564006722 /nfs/dbraw/zinc/00/67/22/564006722.db2.gz KMYAPFQKAFROTQ-UHFFFAOYSA-N 0 0 347.443 4.274 50 30 EIEARN Brc1cccc(N=Cc2cnn(-c3ccccc3)c2)c1 ZINC000252591191 564013120 /nfs/dbraw/zinc/01/31/20/564013120.db2.gz AYTYBSRRMLCFLD-UHFFFAOYSA-N 0 0 326.197 4.385 50 30 EIEARN N#Cc1cc(NC(=O)N2CCC(C#N)CC2)ccc1Oc1ccccc1 ZINC000189478168 564015303 /nfs/dbraw/zinc/01/53/03/564015303.db2.gz ACGYYTLEPRKTFF-UHFFFAOYSA-N 0 0 346.390 4.118 50 30 EIEARN O=C1c2ccccc2C2=C1[C@@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2 ZINC000018096406 564018009 /nfs/dbraw/zinc/01/80/09/564018009.db2.gz KFLIOKJTSVBDDC-SFHVURJKSA-N 0 0 345.373 4.127 50 30 EIEARN Cc1ccsc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1 ZINC000046696997 564020411 /nfs/dbraw/zinc/02/04/11/564020411.db2.gz AFHGGSLKDKHFHS-UHFFFAOYSA-N 0 0 335.388 4.368 50 30 EIEARN CCCCC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)CC(C)(C)CC1=O ZINC000102932683 564020933 /nfs/dbraw/zinc/02/09/33/564020933.db2.gz XQHADMYLEVAHGJ-UHFFFAOYSA-N 0 0 344.411 4.409 50 30 EIEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000000523981 564021179 /nfs/dbraw/zinc/02/11/79/564021179.db2.gz OMOLIKRSTNIWAR-INIZCTEOSA-N 0 0 331.419 4.051 50 30 EIEARN COc1cc2c(cc1OC)[C@@H]1CCC3=C(CC(C)(C)CC3=O)N1CC2 ZINC000000526459 564021215 /nfs/dbraw/zinc/02/12/15/564021215.db2.gz ZYBOHQVDOFAGMO-INIZCTEOSA-N 0 0 341.451 4.040 50 30 biogenic EIEARN COC(=O)c1sc(NC(=O)c2ccc(C(C)C)cc2)c(C#N)c1C ZINC000000570306 564023693 /nfs/dbraw/zinc/02/36/93/564023693.db2.gz OLBNAMWUKWKNJK-UHFFFAOYSA-N 0 0 342.420 4.091 50 30 EIEARN CC(=O)N(C)c1nc(/C=C\C(=O)c2ccc(CC(C)C)cc2)cs1 ZINC000104178886 564023743 /nfs/dbraw/zinc/02/37/43/564023743.db2.gz BREAWVPDNUTSED-KTKRTIGZSA-N 0 0 342.464 4.220 50 30 EIEARN COc1cc(NC=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC ZINC000044844386 564027456 /nfs/dbraw/zinc/02/74/56/564027456.db2.gz UVLDKFIJDHKKSA-CMDGGOBGSA-N 0 0 341.407 4.138 50 30 EIEARN O=C(/C=C/C(Cl)=C\c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000048325094 564030981 /nfs/dbraw/zinc/03/09/81/564030981.db2.gz SSFLIVURUHUENQ-PXARDFSYSA-N 0 0 326.779 4.477 50 30 EIEARN C=C(C)CSc1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000006704964 564033376 /nfs/dbraw/zinc/03/33/76/564033376.db2.gz HCIGSNRBFSPCSW-UHFFFAOYSA-N 0 0 325.846 4.112 50 30 EIEARN Cc1cc(=O)oc2cc(NC(=O)N(C)[C@@H](C)c3ccccc3)ccc12 ZINC000082103372 564056250 /nfs/dbraw/zinc/05/62/50/564056250.db2.gz DFBZTFMMINOVOR-AWEZNQCLSA-N 0 0 336.391 4.340 50 30 EIEARN Cc1sc(-n2cccc2)c(C(=O)OCc2ccc(C#N)cc2)c1C ZINC000005938679 564057123 /nfs/dbraw/zinc/05/71/23/564057123.db2.gz HNZWZHKOMRZQCB-UHFFFAOYSA-N 0 0 336.416 4.384 50 30 EIEARN Cc1csc(N=NC(CC(=O)c2ccc(C)cc2)C(F)(F)F)n1 ZINC000006009125 564057561 /nfs/dbraw/zinc/05/75/61/564057561.db2.gz LMDUTDSAHADBJW-MOSHPQCFSA-N 0 0 341.358 4.363 50 30 EIEARN Cc1sc(NC(=O)CSc2nc3ccccc3o2)c(C#N)c1C ZINC000012567938 564059779 /nfs/dbraw/zinc/05/97/79/564059779.db2.gz MZCMUERFQVLZRH-UHFFFAOYSA-N 0 0 343.433 4.109 50 30 EIEARN N#CC(C#N)(Cc1cccs1)c1ncc(C(F)(F)F)cc1Cl ZINC000001400855 564064991 /nfs/dbraw/zinc/06/49/91/564064991.db2.gz MSQKFPJUGKRIDL-UHFFFAOYSA-N 0 0 341.745 4.343 50 30 EIEARN N#Cc1ccc(-c2ccc(Cl)cc2)n(Cc2cccc(F)c2)c1=O ZINC000001402959 564065120 /nfs/dbraw/zinc/06/51/20/564065120.db2.gz AXPZOCIIBZAOFN-UHFFFAOYSA-N 0 0 338.769 4.228 50 30 EIEARN Cc1ccc(-c2nc(NC(=O)COc3cc(C)cc(C)c3)n[nH]2)cc1 ZINC000012764655 564067905 /nfs/dbraw/zinc/06/79/05/564067905.db2.gz PEEORPDWLMIJKE-UHFFFAOYSA-N 0 0 336.395 4.064 50 30 EIEARN N#Cc1cccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1 ZINC000015554046 564068076 /nfs/dbraw/zinc/06/80/76/564068076.db2.gz CRFQYBOLPZBOEI-UHFFFAOYSA-N 0 0 346.361 4.420 50 30 EIEARN Cc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)c1 ZINC000006046304 564072630 /nfs/dbraw/zinc/07/26/30/564072630.db2.gz RCIPRDDPBNEERZ-QGZVFWFLSA-N 0 0 340.810 4.159 50 30 EIEARN N#CC1(NC(=O)COc2ccc(Cl)c3ccccc23)CCCCC1 ZINC000006085330 564073680 /nfs/dbraw/zinc/07/36/80/564073680.db2.gz QWYITRKHYQALSN-UHFFFAOYSA-N 0 0 342.826 4.215 50 30 EIEARN C=CCc1cc(C=Cc2cc(=O)c3ccccc3[nH]2)cc(OC)c1O ZINC000016392958 564074447 /nfs/dbraw/zinc/07/44/47/564074447.db2.gz PEHQCVLVSBEFHI-MDZDMXLPSA-N 0 0 333.387 4.141 50 30 EIEARN C=CCN(CC=C)c1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000000072025 564074453 /nfs/dbraw/zinc/07/44/53/564074453.db2.gz GWJZIEQNZVDLDA-UHFFFAOYSA-N 0 0 346.390 4.383 50 30 EIEARN C=C(C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000000572342 564074596 /nfs/dbraw/zinc/07/45/96/564074596.db2.gz NDSYDIWHFPPIDC-MRXNPFEDSA-N 0 0 331.419 4.133 50 30 EIEARN C=CCOc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 ZINC000002081186 564074803 /nfs/dbraw/zinc/07/48/03/564074803.db2.gz DOGXYTZSOKALTM-ATVHPVEESA-N 0 0 339.778 4.249 50 30 EIEARN C[C@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])=C2CCCCC21 ZINC000043762017 564076223 /nfs/dbraw/zinc/07/62/23/564076223.db2.gz JQOSUABFPRPIET-UJMUHZSASA-N 0 0 330.344 4.181 50 30 EIEARN CCC(=O)/C=C\c1ccc2c(c1OC(C)C)C(=O)c1ccccc1C2=O ZINC000075261195 564081267 /nfs/dbraw/zinc/08/12/67/564081267.db2.gz ZSAPSKAWRCRNED-LUAWRHEFSA-N 0 0 348.398 4.242 50 30 EIEARN COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1O ZINC000016404793 564084785 /nfs/dbraw/zinc/08/47/85/564084785.db2.gz DHDXHBYLMOOGBX-JXMROGBWSA-N 0 0 338.403 4.184 50 30 EIEARN C=C[C@]1(C)C[C@H](OC)[C@]2(C)[C@H]3C(=O)CC[C@]3(CC[C@H]2C)[C@H](C)C1=O ZINC000252641551 564086990 /nfs/dbraw/zinc/08/69/90/564086990.db2.gz ZESCDQYMVQFZRC-LXLRMCGNSA-N 0 0 332.484 4.204 50 30 EIEARN N#Cc1c(NC(=O)CCCOc2ccccc2)sc2c1CCCC2 ZINC000001769364 564087390 /nfs/dbraw/zinc/08/73/90/564087390.db2.gz ZKELPDVURCOSSB-UHFFFAOYSA-N 0 0 340.448 4.296 50 30 EIEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccco2)cc1 ZINC000239121072 564088004 /nfs/dbraw/zinc/08/80/04/564088004.db2.gz JGFIKWYPJYBTHS-UHFFFAOYSA-N 0 0 326.425 4.007 50 30 EIEARN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCS[C@@H](C)[C@H]1C ZINC000240225437 564088232 /nfs/dbraw/zinc/08/82/32/564088232.db2.gz DHUHGLGMFTXGFN-MCIONIFRSA-N 0 0 349.525 4.296 50 30 EIEARN CC(C)(C)c1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1 ZINC000244795753 564088604 /nfs/dbraw/zinc/08/86/04/564088604.db2.gz RMYIUGFSRSMNJR-UHFFFAOYSA-N 0 0 335.495 4.136 50 30 EIEARN Cc1nnc(S[C@H](C#N)Cc2ccc(C)cc2)n1Cc1ccccc1 ZINC000006589419 564092339 /nfs/dbraw/zinc/09/23/39/564092339.db2.gz SBNJNSODLMQPDT-IBGZPJMESA-N 0 0 348.475 4.170 50 30 EIEARN CC(C)CCNc1c(-c2ccc(Cl)cc2)nc2c(C#N)c[nH]n21 ZINC000006768608 564097449 /nfs/dbraw/zinc/09/74/49/564097449.db2.gz UMKRQPLJUGFFML-UHFFFAOYSA-N 0 0 327.819 4.312 50 30 EIEARN COc1ccc(-c2nnc(SCCC#N)n2C2CCCCC2)cc1 ZINC000006790827 564097946 /nfs/dbraw/zinc/09/79/46/564097946.db2.gz ZPFSJTUTDJCELK-UHFFFAOYSA-N 0 0 342.468 4.465 50 30 EIEARN C=CCn1c(SCCC)nc2sc3c(c2c1=O)C[C@H](C)CC3 ZINC000006891147 564100845 /nfs/dbraw/zinc/10/08/45/564100845.db2.gz WMBAAGYJYNQCRZ-LLVKDONJSA-N 0 0 334.510 4.271 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@@H]1c1cccs1 ZINC000170620012 564110142 /nfs/dbraw/zinc/11/01/42/564110142.db2.gz KFKHXWOPDPTCRT-CRAIPNDOSA-N 0 0 344.407 4.207 50 30 EIEARN N#Cc1cc(F)c(C(=O)Nc2ccc(F)cc2OCC2CC2)c(F)c1 ZINC000152863369 564115469 /nfs/dbraw/zinc/11/54/69/564115469.db2.gz BKUKRUGFWNFHSL-UHFFFAOYSA-N 0 0 346.308 4.017 50 30 EIEARN N#Cc1cc(F)c(C(=O)Nc2ccccc2CC(F)(F)F)c(F)c1 ZINC000153403309 564118391 /nfs/dbraw/zinc/11/83/91/564118391.db2.gz NFJKIMBNYKDYQT-UHFFFAOYSA-N 0 0 340.251 4.194 50 30 EIEARN CC1(C)Cc2nnc(-c3ccc(Br)cc3)cc2C(=NO)C1 ZINC000252463562 564118764 /nfs/dbraw/zinc/11/87/64/564118764.db2.gz CRMVHQRGFBTZLL-UHFFFAOYSA-N 0 0 346.228 4.057 50 30 EIEARN N#CCCCOc1cccc(Nc2c(F)c(F)nc(F)c2F)c1 ZINC000170660297 564120945 /nfs/dbraw/zinc/12/09/45/564120945.db2.gz ZPQVFXDSNHUFFD-UHFFFAOYSA-N 0 0 325.265 4.064 50 30 EIEARN Cc1ccc(C)c(N=C2S/C(=C/c3ccccc3O)C(=O)N2C)c1 ZINC000252597581 564121152 /nfs/dbraw/zinc/12/11/52/564121152.db2.gz CTHLEBXZTWEAGM-OEQLELKQSA-N 0 0 338.432 4.243 50 30 EIEARN N#Cc1ccc(-c2ccc(OC(=O)COc3ccc(F)cc3)cc2)cc1 ZINC000007842925 564124159 /nfs/dbraw/zinc/12/41/59/564124159.db2.gz BDXOVBYBQQEKHS-UHFFFAOYSA-N 0 0 347.345 4.349 50 30 EIEARN CC(C)Cc1ccc(-c2nn(CCC#N)c(=O)c3ccccc32)cc1 ZINC000019862911 564129046 /nfs/dbraw/zinc/12/90/46/564129046.db2.gz ISGPVNGQZFOOHK-UHFFFAOYSA-N 0 0 331.419 4.176 50 30 EIEARN CCOC(=O)c1[nH]cc(C#N)c1-c1ccc(OCc2ccccc2)cc1 ZINC000143334166 564129569 /nfs/dbraw/zinc/12/95/69/564129569.db2.gz KWURYGQHZPZDGF-UHFFFAOYSA-N 0 0 346.386 4.309 50 30 EIEARN C=CC[C@H](CC)NC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000253431517 564131867 /nfs/dbraw/zinc/13/18/67/564131867.db2.gz RKDWEBAWOJGZNX-NSHDSACASA-N 0 0 343.349 4.140 50 30 EIEARN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC=CC[C@]34C)[C@H]1CC/C2=N/NC(N)=S ZINC000253499939 564132780 /nfs/dbraw/zinc/13/27/80/564132780.db2.gz RSUWOSICFQPDCA-HLUOCAMMSA-N 0 0 345.556 4.384 50 30 EIEARN N#Cc1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000000233160 564133038 /nfs/dbraw/zinc/13/30/38/564133038.db2.gz DFJFUNTWNTYPDF-UHFFFAOYSA-N 0 0 344.326 4.490 50 30 EIEARN N#Cc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000000304007 564133084 /nfs/dbraw/zinc/13/30/84/564133084.db2.gz XZIYZTUDTDGIPO-UHFFFAOYSA-N 0 0 326.355 4.435 50 30 EIEARN CCOc1ccc(-c2nc(C#N)c(N3C[C@H](C)C[C@H](C)C3)o2)cc1 ZINC000000467520 564133292 /nfs/dbraw/zinc/13/32/92/564133292.db2.gz DHWLJSXMQGNKPK-OKILXGFUSA-N 0 0 325.412 4.094 50 30 EIEARN CCc1c(C)nc(SCc2ccc([N+](=O)[O-])cc2)c(C#N)c1C ZINC000000614436 564133489 /nfs/dbraw/zinc/13/34/89/564133489.db2.gz LYGBDGUSKCOAKA-UHFFFAOYSA-N 0 0 327.409 4.333 50 30 EIEARN Cc1cccc(SC2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000077439523 564134260 /nfs/dbraw/zinc/13/42/60/564134260.db2.gz UJYPYSNPKYNAAH-UHFFFAOYSA-N 0 0 336.460 4.264 50 30 EIEARN N#Cc1ccc(Oc2ccccc2N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000012629978 564135373 /nfs/dbraw/zinc/13/53/73/564135373.db2.gz UVBIZGSKIDMXEZ-CALCHBBNSA-N 0 0 346.386 4.030 50 30 EIEARN Cc1sc(NC(=O)c2ccncc2)c(C#N)c1-c1ccc(F)cc1 ZINC000013328088 564136217 /nfs/dbraw/zinc/13/62/17/564136217.db2.gz BCLMDNBOZGTHCV-UHFFFAOYSA-N 0 0 337.379 4.382 50 30 EIEARN CCc1ccc(-c2c(C)sc(NC(=O)[C@H]3CCCO3)c2C#N)cc1 ZINC000013328080 564136221 /nfs/dbraw/zinc/13/62/21/564136221.db2.gz RKQBZFRRSLFTAR-MRXNPFEDSA-N 0 0 340.448 4.275 50 30 EIEARN CSc1ccc([C@@H](C)NC(=O)N2CCC([C@H]3CCCO3)CC2)cc1 ZINC000328587867 564136574 /nfs/dbraw/zinc/13/65/74/564136574.db2.gz CPMPJKAWXRUTMM-RDTXWAMCSA-N 0 0 348.512 4.275 50 30 EIEARN CCc1noc(C)c1NC(=O)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000328588558 564136629 /nfs/dbraw/zinc/13/66/29/564136629.db2.gz SHWKGDFFECPCNS-XJKSGUPXSA-N 0 0 327.428 4.277 50 30 EIEARN O=C(Nc1cccc(OCC(F)(F)F)c1)c1c(F)ccc(O)c1F ZINC000328592856 564136757 /nfs/dbraw/zinc/13/67/57/564136757.db2.gz NKKIJESZOCVJPV-UHFFFAOYSA-N 0 0 347.239 4.248 50 30 EIEARN C[C@H](C(=O)Nc1n[nH]c(-c2cccc3ccccc32)n1)c1cccnc1 ZINC000078967771 564137462 /nfs/dbraw/zinc/13/74/62/564137462.db2.gz JUEZQBJEECHTCG-ZDUSSCGKSA-N 0 0 343.390 4.412 50 30 EIEARN C#CC[C@@H](Nc1cc(CC)nc(-c2ccccn2)n1)c1ccccc1 ZINC000095441112 564140493 /nfs/dbraw/zinc/14/04/93/564140493.db2.gz HAOPIFMYNBBHMX-GOSISDBHSA-N 0 0 328.419 4.278 50 30 EIEARN O=C(/C=C\c1ccc(-n2cncn2)cc1)c1cccc(C(F)(F)F)c1 ZINC000096129760 564145724 /nfs/dbraw/zinc/14/57/24/564145724.db2.gz HCYRAZNFGZGKBM-TWGQIWQCSA-N 0 0 343.308 4.182 50 30 EIEARN N#Cc1ccccc1NC(=O)c1ccc(Cl)cc1Br ZINC000156470024 564145762 /nfs/dbraw/zinc/14/57/62/564145762.db2.gz DQKJKZOTUQJXBE-UHFFFAOYSA-N 0 0 335.588 4.226 50 30 EIEARN CCOc1cc(/C=C2/COc3ccccc3C2=O)ccc1OC(F)F ZINC000096305139 564146645 /nfs/dbraw/zinc/14/66/45/564146645.db2.gz NBUQIVUMZYNKTO-LCYFTJDESA-N 0 0 346.329 4.345 50 30 EIEARN COc1cccc2cc(C(=O)/C=C\c3cccc(OCC#N)c3)oc21 ZINC000096316211 564146755 /nfs/dbraw/zinc/14/67/55/564146755.db2.gz XZEHUDJNFHYUGI-HJWRWDBZSA-N 0 0 333.343 4.240 50 30 EIEARN C=CCOc1ccc(/C=C\C(=O)N[C@H](C)c2ccccc2)cc1OC ZINC000096403000 564147155 /nfs/dbraw/zinc/14/71/55/564147155.db2.gz IWQLIRACBOKQBJ-DVFVSVACSA-N 0 0 337.419 4.151 50 30 EIEARN COc1ccc(/C=C2\Oc3c(cc(Cl)cc3Cl)C2=O)cc1O ZINC000299738358 564150473 /nfs/dbraw/zinc/15/04/73/564150473.db2.gz ZNSKCRDXZIMCEO-RZNTYIFUSA-N 0 0 337.158 4.324 50 30 EIEARN N#C[C@H](C(=O)c1ccc(Cl)c(F)c1)c1ccc(C(F)(F)F)cn1 ZINC000161900483 564150683 /nfs/dbraw/zinc/15/06/83/564150683.db2.gz WPAFSMBQSHMEOG-JTQLQIEISA-N 0 0 342.679 4.383 50 30 EIEARN N#Cc1cccc(NC(=O)COc2ccccc2Cc2ccccc2)c1 ZINC000002622017 564151216 /nfs/dbraw/zinc/15/12/16/564151216.db2.gz MMDHJJNJLVSZEV-UHFFFAOYSA-N 0 0 342.398 4.167 50 30 EIEARN C=C(C)Cn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccccc1OC ZINC000002721395 564152274 /nfs/dbraw/zinc/15/22/74/564152274.db2.gz AUMNYSPRNGZUBG-OAHLLOKOSA-N 0 0 349.434 4.112 50 30 EIEARN Cc1c(C#N)c(NC(=O)CCC2CCCC2)sc1C(=O)OC(C)C ZINC000002745035 564152389 /nfs/dbraw/zinc/15/23/89/564152389.db2.gz BWVRWWMYJALPIF-UHFFFAOYSA-N 0 0 348.468 4.402 50 30 EIEARN CCn1c(C(=O)Nc2sc3c(c2C#N)CCC3)cc2ccccc21 ZINC000058030181 564157237 /nfs/dbraw/zinc/15/72/37/564157237.db2.gz BTHBQDGJCLUQIL-UHFFFAOYSA-N 0 0 335.432 4.335 50 30 EIEARN CC(=O)c1cc(Br)ccc1OCc1ccc(C#N)cc1 ZINC000003361260 564157695 /nfs/dbraw/zinc/15/76/95/564157695.db2.gz OTSQHXZDPPSBTQ-UHFFFAOYSA-N 0 0 330.181 4.102 50 30 EIEARN N#Cc1ccsc1NC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000008538229 564165639 /nfs/dbraw/zinc/16/56/39/564165639.db2.gz OLJKGNAJZNKIJA-UHFFFAOYSA-N 0 0 334.400 4.304 50 30 EIEARN CC[C@H](C)n1c(SCC#N)nc2sc3c(c2c1=O)CCCCC3 ZINC000008621339 564166120 /nfs/dbraw/zinc/16/61/20/564166120.db2.gz PRAKTULAGQYMEB-NSHDSACASA-N 0 0 347.509 4.314 50 30 EIEARN N#C[C@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccsc1 ZINC000071847772 564175959 /nfs/dbraw/zinc/17/59/59/564175959.db2.gz UJZVXEFKLUFGCL-KGLIPLIRSA-N 0 0 338.354 4.165 50 30 EIEARN N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@H]1Cc2ccccc2O1 ZINC000077687566 564176852 /nfs/dbraw/zinc/17/68/52/564176852.db2.gz LXUOAZYJHPMRFY-QGZVFWFLSA-N 0 0 346.411 4.229 50 30 EIEARN CCCCCCCCCCCCSCC(=O)N1CCOCC1 ZINC000103005758 1022851488 /nfs/dbraw/zinc/85/14/88/1022851488.db2.gz IHYSRSIMZNIIIF-UHFFFAOYSA-N 0 0 329.550 4.499 50 30 EIEARN O=S(=O)(/N=C\c1c(O)ccc2ccccc12)c1ccc(Cl)cc1 ZINC000102962998 1024833713 /nfs/dbraw/zinc/83/37/13/1024833713.db2.gz ADSTUSPWWHPJQL-ODLFYWEKSA-N 0 0 345.807 4.007 50 30 EIEARN O=C(/C=C/c1ccccc1OC(=O)c1cccnc1)c1ccccc1 ZINC000005073750 1025270427 /nfs/dbraw/zinc/27/04/27/1025270427.db2.gz XLEHVNRDWLUVDC-OUKQBFOZSA-N 0 0 329.355 4.197 50 30 EIEARN Cc1cc(C(=O)C(=C2SCS2)c2ccncn2)ccc1Cl ZINC000601014574 1026119210 /nfs/dbraw/zinc/11/92/10/1026119210.db2.gz YXYYITNHTFGVND-UHFFFAOYSA-N 0 0 334.853 4.427 50 30 EIEARN COc1ccc(C(=O)/C=C/c2ccc(Br)cc2)c(F)c1 ZINC000006581316 1026166459 /nfs/dbraw/zinc/16/64/59/1026166459.db2.gz JSGYPNRAGORZLY-RUDMXATFSA-N 0 0 335.172 4.493 50 30 EIEARN C#CC(C)(C)n1cnc(-c2ccccc2)c1-c1cn(CC=C)nc1C ZINC000199343463 1029416246 /nfs/dbraw/zinc/41/62/46/1029416246.db2.gz ALJIDJJGDCHDFQ-UHFFFAOYSA-N 0 0 330.435 4.276 50 30 EIEARN CCc1ccc(/C=C2\CCc3cc(OC)ccc3C2=O)cc1[N+](=O)[O-] ZINC000013135249 1031388570 /nfs/dbraw/zinc/38/85/70/1031388570.db2.gz OTAFDZASSICULQ-MHWRWJLKSA-N 0 0 337.375 4.378 50 30 EIEARN COc1ccc(/C=C2/Oc3ccc(Br)cc3C2=O)cc1 ZINC000000576110 1034768404 /nfs/dbraw/zinc/76/84/04/1034768404.db2.gz XKJSSWKYGXXJBE-OVCLIPMQSA-N 0 0 331.165 4.074 50 30 EIEARN COc1ccc(/C=C2/COc3ccccc3C2=O)cc1OCCCC#N ZINC000255317159 1037309959 /nfs/dbraw/zinc/30/99/59/1037309959.db2.gz FJLHCXBQIYZTPH-VBKFSLOCSA-N 0 0 349.386 4.036 50 30 EIEARN CC(=NN=c1[nH]c2ccccc2n1C)c1ccc2ccccc2c1O ZINC000254560483 1038360878 /nfs/dbraw/zinc/36/08/78/1038360878.db2.gz WAZGVLKXXVVDLY-UHFFFAOYSA-N 0 0 330.391 4.268 50 30 EIEARN BrC(=CN=Nc1nc2ccccc2[nH]1)Cc1ccccc1 ZINC000606442295 1043066497 /nfs/dbraw/zinc/06/64/97/1043066497.db2.gz VPAZIWAOGWZELX-XFZGLGFCSA-N 0 0 341.212 4.397 50 30 EIEARN CCOc1ccc(C=NNC(=S)Nc2c(C)cccc2C)cc1 ZINC000012511633 1043764684 /nfs/dbraw/zinc/76/46/84/1043764684.db2.gz FLZMETYVJNPQMX-UHFFFAOYSA-N 0 0 327.453 4.023 50 30 EIEARN COc1cc(C(=O)/C=C\c2ccc(Br)cc2)ccc1O ZINC000033474366 1047341774 /nfs/dbraw/zinc/34/17/74/1047341774.db2.gz TXCDZPDGDMZUOT-YWEYNIOJSA-N 0 0 333.181 4.059 50 30 EIEARN CC(=O)Nc1ccc(/C=C2\CCc3[nH]c4ccc(F)cc4c3C2=O)cc1 ZINC000026433426 1047368746 /nfs/dbraw/zinc/36/87/46/1047368746.db2.gz DJUHORVMLSBRKQ-GXDHUFHOSA-N 0 0 348.377 4.478 50 30 EIEARN O=C(/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000033611895 1052592530 /nfs/dbraw/zinc/59/25/30/1052592530.db2.gz IRMAUOGYOQBWPS-ALCCZGGFSA-N 0 0 332.699 4.053 50 30 EIEARN C[Si](C)(C)CCOC(=O)N1CC=C(c2cccc(C#N)c2)CC1 ZINC000202939670 1056293144 /nfs/dbraw/zinc/29/31/44/1056293144.db2.gz WSUJOBUFWOMRNC-UHFFFAOYSA-N 0 0 328.488 4.122 50 30 EIEARN CCCN(CC(=O)Nc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000052825570 214148784 /nfs/dbraw/zinc/14/87/84/214148784.db2.gz BEQRBGQFSASFSK-UHFFFAOYSA-N 0 0 341.842 4.062 50 30 EIEARN C=CCOc1ccccc1NC(=O)N1CCCC[C@H]1c1cc(C)on1 ZINC000097717135 219050820 /nfs/dbraw/zinc/05/08/20/219050820.db2.gz MKUXDQHYATUZPC-KRWDZBQOSA-N 0 0 341.411 4.307 50 30 EIEARN O=C(c1cccc(Cl)c1)[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000055133178 214277571 /nfs/dbraw/zinc/27/75/71/214277571.db2.gz RYSJBDXZIHNSAC-IBGZPJMESA-N 0 0 337.850 4.286 50 30 EIEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@@H](c3ccccc3)[C@H]12 ZINC000004681467 210245812 /nfs/dbraw/zinc/24/58/12/210245812.db2.gz CJFWICNRVVUMQB-QUCCMNQESA-N 0 0 327.383 4.093 50 30 EIEARN CCCCCCCCCCC1N=NC(=S)N1C[C@@H]1CCCO1 ZINC000097941836 219062657 /nfs/dbraw/zinc/06/26/57/219062657.db2.gz FWMFARGOITZIDJ-HNNXBMFYSA-N 0 0 325.522 4.429 50 30 EIEARN CC(=Cc1cccc(Br)c1)C(=O)c1c(C)cc(C)[nH]c1=O ZINC000004579698 210225997 /nfs/dbraw/zinc/22/59/97/210225997.db2.gz NGMGWANNNWSSEZ-DHZHZOJOSA-N 0 0 346.224 4.040 50 30 EIEARN CCC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100015658 219087900 /nfs/dbraw/zinc/08/79/00/219087900.db2.gz VHTNJYGNFUMJTN-UHFFFAOYSA-N 0 0 326.105 4.069 50 30 EIEARN N#Cc1ccc(N=NC2c3ccccc3-c3ccccc32)c([N+](=O)[O-])c1 ZINC000004519776 210212900 /nfs/dbraw/zinc/21/29/00/210212900.db2.gz IIILNUQHWNBVAH-UHFFFAOYSA-N 0 0 340.342 4.311 50 30 EIEARN O=C1N/C(=N/c2ccccc2)S/C1=C/c1cccn1-c1ccccc1 ZINC000004514402 210209834 /nfs/dbraw/zinc/20/98/34/210209834.db2.gz QXJUEICLCKPRFJ-NBVRZTHBSA-N 0 0 345.427 4.369 50 30 EIEARN C=CCN1C(=O)C(=NNc2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000100322632 219096884 /nfs/dbraw/zinc/09/68/84/219096884.db2.gz BQFKIKSDWCYOPQ-LTGZKZEYSA-N 0 0 346.217 4.342 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)NC(=S)[C@H](C#N)[C@H]2c1ccc(Cl)cc1 ZINC000100363640 219097723 /nfs/dbraw/zinc/09/77/23/219097723.db2.gz PZTQPAIVZBBREJ-IUODEOHRSA-N 0 0 344.867 4.137 50 30 EIEARN N#Cc1c(C#N)c(-c2ccc(F)cc2)[nH]c1/N=C/c1ccc(F)cc1 ZINC000100709199 219105242 /nfs/dbraw/zinc/10/52/42/219105242.db2.gz JLZCYKLLDVWXOW-BHGWPJFGSA-N 0 0 332.313 4.454 50 30 EIEARN N#CCc1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1 ZINC000004387688 210185919 /nfs/dbraw/zinc/18/59/19/210185919.db2.gz HKWXQVLMYUCRJI-UHFFFAOYSA-N 0 0 325.418 4.190 50 30 EIEARN CC1(C)CC(=O)C(C(=O)Nc2ccccc2)=C(NCc2ccccc2)C1 ZINC000100942042 219112176 /nfs/dbraw/zinc/11/21/76/219112176.db2.gz WKCNRMGEYKUIRM-UHFFFAOYSA-N 0 0 348.446 4.058 50 30 EIEARN C=CCSc1nnc(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000004366584 210180674 /nfs/dbraw/zinc/18/06/74/210180674.db2.gz RHXWYCGZGKSRGG-UHFFFAOYSA-N 0 0 337.448 4.433 50 30 EIEARN O=C1C=C(Sc2ccccc2)C(=O)C=C1Nc1ccc(Cl)cc1 ZINC000101239316 219119476 /nfs/dbraw/zinc/11/94/76/219119476.db2.gz HONYIIZOQZKZPB-UHFFFAOYSA-N 0 0 341.819 4.464 50 30 EIEARN COc1ccc(NC(=S)N/N=C/C(C)=C\c2ccccc2)cc1 ZINC000004231413 210148645 /nfs/dbraw/zinc/14/86/45/210148645.db2.gz WXZWLDGUJVVDAE-WROMKANLSA-N 0 0 325.437 4.071 50 30 EIEARN N#CC1(C#N)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccccc1 ZINC000004182988 210140906 /nfs/dbraw/zinc/14/09/06/210140906.db2.gz YYDXDXFJSIRKMC-WUCQLZOISA-N 0 0 330.431 4.219 50 30 EIEARN Cc1csc(CNCc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000047700467 213865291 /nfs/dbraw/zinc/86/52/91/213865291.db2.gz VKTNPMLCYQCYRB-UHFFFAOYSA-N 0 0 349.459 4.192 50 30 EIEARN Cc1cccc(C(=O)/C=C/c2cc(Cl)cc3c2OCOC3)c1O ZINC000004158408 210133761 /nfs/dbraw/zinc/13/37/61/210133761.db2.gz IDRVBFSCBHDQGW-AATRIKPKSA-N 0 0 330.767 4.117 50 30 EIEARN CCN(/N=C/c1c(O)ccc2ccccc21)c1nc2ccccc2[nH]1 ZINC000004149809 210133085 /nfs/dbraw/zinc/13/30/85/210133085.db2.gz GCZGTTMSGNRQKN-FYJGNVAPSA-N 0 0 330.391 4.282 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccccc1 ZINC000004119635 210124990 /nfs/dbraw/zinc/12/49/90/210124990.db2.gz MFZHTTMGYRNZIK-CRAIPNDOSA-N 0 0 326.417 4.067 50 30 EIEARN CCN1C(=O)/C(=C\c2ccc(O)cc2)S/C1=N/c1ccc(F)cc1 ZINC000101772204 219163770 /nfs/dbraw/zinc/16/37/70/219163770.db2.gz DCGDZWPWJNEZFD-YYUDZJCFSA-N 0 0 342.395 4.155 50 30 EIEARN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1cccc(C)c1 ZINC000004047988 210106980 /nfs/dbraw/zinc/10/69/80/210106980.db2.gz MHGPDEMLXNCVKM-SRZZPIQSSA-N 0 0 349.394 4.152 50 30 EIEARN Fc1c(F)c(F)c(N=NCc2c[nH]c3ccccc23)c(F)c1F ZINC000004016370 210099754 /nfs/dbraw/zinc/09/97/54/210099754.db2.gz FXSDVFLZSBJOQD-GEVRCRHISA-N 0 0 325.240 4.309 50 30 EIEARN C[C@@H]1CN(C(=O)Nc2ccccc2)/C(=N/Cc2ccccc2)S1 ZINC000102707865 219223387 /nfs/dbraw/zinc/22/33/87/219223387.db2.gz DOJPZIRLFVWAKI-ORIGZDJFSA-N 0 0 325.437 4.212 50 30 EIEARN N#Cc1ccccc1COc1ncnc2c(Cl)cc(Cl)cc12 ZINC000003310361 210002835 /nfs/dbraw/zinc/00/28/35/210002835.db2.gz XRWTZMNLLVVZNH-UHFFFAOYSA-N 0 0 330.174 4.387 50 30 EIEARN C=CCSc1nnc(-c2ccncc2)n1-c1ccc(OCC)cc1 ZINC000002837821 209925068 /nfs/dbraw/zinc/92/50/68/209925068.db2.gz MAKPWXXDDJLEQT-UHFFFAOYSA-N 0 0 338.436 4.006 50 30 EIEARN Cc1sc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)c(C#N)c1C ZINC000068316382 215299848 /nfs/dbraw/zinc/29/98/48/215299848.db2.gz NAEVEGJJXJPLCZ-UHFFFAOYSA-N 0 0 346.362 4.303 50 30 EIEARN O=C1c2cccc(O)c2C/C1=C\c1ccc(OCc2ccccn2)cc1 ZINC000040139830 213271140 /nfs/dbraw/zinc/27/11/40/213271140.db2.gz YQWBUIYRWGPVND-FOWTUZBSSA-N 0 0 343.382 4.189 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@H]2c1ccccc1C(F)(F)F ZINC000001424263 209744616 /nfs/dbraw/zinc/74/46/16/209744616.db2.gz QPBOUTDSIJYZAY-NSHDSACASA-N 0 0 338.325 4.379 50 30 EIEARN Cc1cccc(Nc2nc(C#N)c(C#N)nc2Nc2cccc(C)c2)c1 ZINC000001317679 209725092 /nfs/dbraw/zinc/72/50/92/209725092.db2.gz FUSHCAGZUMEJDJ-UHFFFAOYSA-N 0 0 340.390 4.324 50 30 EIEARN Cn1c2ccccc2n(/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1=S ZINC000000531035 209651267 /nfs/dbraw/zinc/65/12/67/209651267.db2.gz VCTXFACXHPNXHM-RQZCQDPDSA-N 0 0 346.799 4.153 50 30 EIEARN N#Cc1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c1 ZINC000000516361 209643327 /nfs/dbraw/zinc/64/33/27/209643327.db2.gz SUOOZIYSBYCNNK-UHFFFAOYSA-N 0 0 328.371 4.243 50 30 EIEARN C=CCN(C(=O)c1noc2c1COc1ccc(C)cc1-2)c1ccccc1 ZINC000033249155 212909368 /nfs/dbraw/zinc/90/93/68/212909368.db2.gz AFCTUBINIRLTOH-UHFFFAOYSA-N 0 0 346.386 4.375 50 30 EIEARN CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO ZINC000032840892 212853887 /nfs/dbraw/zinc/85/38/87/212853887.db2.gz QHZLMUACJMDIAE-GOSISDBHSA-N 0 0 330.509 4.364 50 30 endogenous,in-man EIEARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccccc2C#N)c1 ZINC000000367315 209554440 /nfs/dbraw/zinc/55/44/40/209554440.db2.gz ZGFCRBVUBBHHTD-UHFFFAOYSA-N 0 0 335.407 4.185 50 30 EIEARN N#CCc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000000151573 209454689 /nfs/dbraw/zinc/45/46/89/209454689.db2.gz QYYLHVQTGVJDOL-UHFFFAOYSA-N 0 0 335.285 4.295 50 30 EIEARN CC(=O)C(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)=O ZINC000000150161 209453102 /nfs/dbraw/zinc/45/31/02/209453102.db2.gz AKHDJADBOFILCX-UHFFFAOYSA-N 0 0 339.235 4.198 50 30 EIEARN C=CCn1cnc2scc(-c3ccc(Br)cc3)c2c1=O ZINC000000098799 209418999 /nfs/dbraw/zinc/41/89/99/209418999.db2.gz ZUPXNRZYUGAQFR-UHFFFAOYSA-N 0 0 347.237 4.074 50 30 EIEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000000064724 209397605 /nfs/dbraw/zinc/39/76/05/209397605.db2.gz AKXUHYFOQUFNKB-NSHDSACASA-N 0 0 326.421 4.005 50 30 EIEARN COc1ccc(C=Nc2ccc3[nH]c(-c4ccncc4)nc3c2)cc1 ZINC000000050667 209390850 /nfs/dbraw/zinc/39/08/50/209390850.db2.gz UREOBSAWUHDSGO-LPYMAVHISA-N 0 0 328.375 4.384 50 30 EIEARN O=C1c2c3cc(F)ccc3[nH]c2CC/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000026433423 212519733 /nfs/dbraw/zinc/51/97/33/212519733.db2.gz VHWWBBVDNXQZNJ-XYOKQWHBSA-N 0 0 336.322 4.428 50 30 EIEARN N#Cc1ccccc1OCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000024839278 212443740 /nfs/dbraw/zinc/44/37/40/212443740.db2.gz CYUZDBVXISTNKK-UHFFFAOYSA-N 0 0 345.280 4.206 50 30 EIEARN Cc1nn(-c2ccccc2)c(COc2ccc(C#N)cc2Cl)c1C#N ZINC000023075020 212345196 /nfs/dbraw/zinc/34/51/96/212345196.db2.gz IEKKMKUNQFJAHJ-UHFFFAOYSA-N 0 0 348.793 4.156 50 30 EIEARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000253499626 244007584 /nfs/dbraw/zinc/00/75/84/244007584.db2.gz LMVLICSGVDWDSM-CDKGFNLYSA-N 0 0 344.495 4.037 50 30 EIEARN CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccccc1C(F)(F)F ZINC000077380275 216889324 /nfs/dbraw/zinc/88/93/24/216889324.db2.gz WDRALWNUSTUDGN-UHFFFAOYSA-N 0 0 335.329 4.386 50 30 EIEARN COc1cc(C#N)ccc1O[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000018260312 211993147 /nfs/dbraw/zinc/99/31/47/211993147.db2.gz AZYMCUJURWLODW-ZDUSSCGKSA-N 0 0 335.363 4.065 50 30 EIEARN C=CC/N=C1\S/C(=C\c2ccccc2O)C(=O)N1C1CCCCC1 ZINC000017084807 211954118 /nfs/dbraw/zinc/95/41/18/211954118.db2.gz PVBOCTZTXGZIFX-CJGMICOPSA-N 0 0 342.464 4.183 50 30 EIEARN COc1ccccc1/C=C1\S/C(=N\c2ccc(C)c(C)c2)NC1=O ZINC000016663080 211927299 /nfs/dbraw/zinc/92/72/99/211927299.db2.gz YQESILPVNQPFNB-BOPFTXTBSA-N 0 0 338.432 4.204 50 30 EIEARN C[C@@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000079335610 217209724 /nfs/dbraw/zinc/20/97/24/217209724.db2.gz QMBTXRYMOBGQID-MRXNPFEDSA-N 0 0 349.434 4.205 50 30 EIEARN C=CCN(C(=O)c1noc2c1COc1ccccc1-2)c1ccccc1 ZINC000015673858 211840030 /nfs/dbraw/zinc/84/00/30/211840030.db2.gz CZDIHELREAMZIR-UHFFFAOYSA-N 0 0 332.359 4.067 50 30 EIEARN CC(=CN=Nc1nnc2c3ccccc3[nH]c2n1)Cc1ccccc1 ZINC000015015489 211788420 /nfs/dbraw/zinc/78/84/20/211788420.db2.gz UIIQFKYDNCNHOM-SUZRTUOYSA-N 0 0 328.379 4.007 50 30 EIEARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(C#N)cc1 ZINC000014159278 211695732 /nfs/dbraw/zinc/69/57/32/211695732.db2.gz YSQGZYMKNANZGT-UHFFFAOYSA-N 0 0 325.418 4.304 50 30 EIEARN Cn1c2ccccc2s/c1=N\N=C\c1cccc(C(F)(F)F)c1 ZINC000013896839 211655186 /nfs/dbraw/zinc/65/51/86/211655186.db2.gz RKOKCKLHOCNSJQ-MRCVDQKJSA-N 0 0 335.354 4.193 50 30 EIEARN Cc1noc2c1[C@@H](c1ccccc1F)C1=C(CC(C)(C)CC1=O)N2 ZINC000013733244 211625561 /nfs/dbraw/zinc/62/55/61/211625561.db2.gz NYGIDHMFPJLMRH-MRXNPFEDSA-N 0 0 326.371 4.323 50 30 EIEARN CC(=O)c1cc(C#N)c(SCCCOc2ccc(F)cc2)nc1C ZINC000012801689 211460679 /nfs/dbraw/zinc/46/06/79/211460679.db2.gz SKFTZBWMLOMLNN-UHFFFAOYSA-N 0 0 344.411 4.165 50 30 EIEARN C=C(C)COc1ccc(-c2ncncc2-c2ccc(OC)cc2)c(O)c1 ZINC000012477809 211392090 /nfs/dbraw/zinc/39/20/90/211392090.db2.gz ZQDKQNDRQMPANH-UHFFFAOYSA-N 0 0 348.402 4.480 50 30 EIEARN CC(C)(C)[C@H]1CC/C(=N/OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C#N)C1 ZINC000011916332 211268037 /nfs/dbraw/zinc/26/80/37/211268037.db2.gz UMNUGGQOIYNLFJ-NKTUNZBZSA-N 0 0 343.383 4.094 50 30 EIEARN C=CCCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1 ZINC000011716869 211239928 /nfs/dbraw/zinc/23/99/28/211239928.db2.gz VAKQBGQQBZCEDK-KRWDZBQOSA-N 0 0 341.430 4.107 50 30 EIEARN N#Cc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)c1 ZINC000010950643 211196231 /nfs/dbraw/zinc/19/62/31/211196231.db2.gz RZBFBNKXGSGLIM-HXUWFJFHSA-N 0 0 325.371 4.329 50 30 EIEARN COc1ccc(SCCC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000010219633 211154957 /nfs/dbraw/zinc/15/49/57/211154957.db2.gz NVSOTAFZUDIEIH-UHFFFAOYSA-N 0 0 346.477 4.366 50 30 EIEARN Cc1nc(-c2cccs2)sc1-c1ccc(SCC#N)nn1 ZINC000009578082 211104607 /nfs/dbraw/zinc/10/46/07/211104607.db2.gz SKRXQUPQCXDCCV-UHFFFAOYSA-N 0 0 330.463 4.253 50 30 EIEARN CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O ZINC000009419492 211081120 /nfs/dbraw/zinc/08/11/20/211081120.db2.gz RLCCCYQPWZKEIS-PDGQHHTCSA-N 0 0 337.375 4.143 50 30 EIEARN CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(C)=O ZINC000008830550 211008855 /nfs/dbraw/zinc/00/88/55/211008855.db2.gz BLTCBVOJNNKFKC-QUDYQQOWSA-N 0 0 341.536 4.102 50 30 in-vitro EIEARN N#Cc1csc(CNc2cccc(COC[C@@H]3CCCCO3)c2)c1 ZINC000095428559 218370968 /nfs/dbraw/zinc/37/09/68/218370968.db2.gz SDFSBOSDXSZRID-SFHVURJKSA-N 0 0 342.464 4.318 50 30 EIEARN Cc1c(CNc2cc(NC(=O)C(C)(C)C)ccc2C)cc(C#N)n1C ZINC000095429084 218372156 /nfs/dbraw/zinc/37/21/56/218372156.db2.gz FVQFADWTFJARCU-UHFFFAOYSA-N 0 0 338.455 4.110 50 30 EIEARN FC1(F)C(F)(F)C(F)(F)C(Cl)(Cl)C(F)(F)C1(F)F ZINC000095707769 218447177 /nfs/dbraw/zinc/44/71/77/218447177.db2.gz HDRXJTRBIHARLO-UHFFFAOYSA-N 0 0 332.952 4.350 50 30 EIEARN CCOc1ccccc1C(=O)Nc1ccccc1SCCC#N ZINC000095953471 218460730 /nfs/dbraw/zinc/46/07/30/218460730.db2.gz FZSLREODMYNFJI-UHFFFAOYSA-N 0 0 326.421 4.343 50 30 EIEARN O=C(/C=C/c1ccc(OC(F)F)cc1)c1ccc2c(c1)OCCCO2 ZINC000007717162 210837012 /nfs/dbraw/zinc/83/70/12/210837012.db2.gz CAJGOLNSHTZRKQ-XBXARRHUSA-N 0 0 346.329 4.345 50 30 EIEARN N#Cc1c2c(sc1NC(=O)CSc1ccccn1)CCCCC2 ZINC000006714766 210689059 /nfs/dbraw/zinc/68/90/59/210689059.db2.gz HTOQQAKPXSUYGC-UHFFFAOYSA-N 0 0 343.477 4.014 50 30 EIEARN S=C1N=NC(c2ccccc2Cl)N1N=Cc1ccc(Cl)cc1 ZINC000006192637 210598756 /nfs/dbraw/zinc/59/87/56/210598756.db2.gz AHXNCPMMRKGNTM-GIJQJNRQSA-N 0 0 349.246 4.423 50 30 EIEARN COc1ccc(/C=C\C(=O)c2ccc(C#N)cc2)cc1Br ZINC000096766320 218889570 /nfs/dbraw/zinc/88/95/70/218889570.db2.gz PNKGQOZGXSYCBG-YWEYNIOJSA-N 0 0 342.192 4.225 50 30 EIEARN CC(N=Nc1ncnc2sc3c(c21)CCCC3)c1ccc(O)cc1 ZINC000005245073 210422952 /nfs/dbraw/zinc/42/29/52/210422952.db2.gz DVKGHSXTAIJQSD-SRZZPIQSSA-N 0 0 338.436 4.112 50 30 EIEARN N#Cc1nc(/C=C/c2ccccc2)oc1N1CCc2ccccc2C1 ZINC000005176184 210406738 /nfs/dbraw/zinc/40/67/38/210406738.db2.gz ZTCWAJAHWRXYRG-ZHACJKMWSA-N 0 0 327.387 4.279 50 30 EIEARN CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O ZINC000005164643 210404902 /nfs/dbraw/zinc/40/49/02/210404902.db2.gz FFDMPZOEEKMIGH-BOPFTXTBSA-N 0 0 341.363 4.045 50 30 EIEARN COc1cc(/C=C/C(=O)c2cc3ccccc3o2)ccc1OCC#N ZINC000005129523 210397100 /nfs/dbraw/zinc/39/71/00/210397100.db2.gz MSDOFVIVQGEROQ-SOFGYWHQSA-N 0 0 333.343 4.240 50 30 EIEARN O=C1c2ccccc2OC/C1=C\c1ccc(Br)cc1F ZINC000005130609 210396296 /nfs/dbraw/zinc/39/62/96/210396296.db2.gz FDDVPMYKPJTQSU-YRNVUSSQSA-N 0 0 333.156 4.247 50 30 EIEARN COC(=O)c1ccc(NC=CC(=O)c2ccc3ccccc3c2)cc1 ZINC000005066988 210381866 /nfs/dbraw/zinc/38/18/66/210381866.db2.gz ACFMODBWKXBWEC-SEYXRHQNSA-N 0 0 331.371 4.435 50 30 EIEARN COc1ccc2c(c1)CCC(=CNc1ccc([N+](=O)[O-])cc1C)C2=O ZINC000005022808 210365521 /nfs/dbraw/zinc/36/55/21/210365521.db2.gz BLQRFEBZGHLSRD-SDNWHVSQSA-N 0 0 338.363 4.037 50 30 EIEARN COc1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1OC ZINC000005005349 210359494 /nfs/dbraw/zinc/35/94/94/210359494.db2.gz AQCGUPISNITRRV-WEVVVXLNSA-N 0 0 347.208 4.362 50 30 EIEARN O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(F)cc1 ZINC000005003023 210357970 /nfs/dbraw/zinc/35/79/70/210357970.db2.gz HYEJGWAIPMGSGX-NTEUORMPSA-N 0 0 332.787 4.371 50 30 EIEARN O=C1c2ccccc2S/C1=C1/Sc2ccc([N+](=O)[O-])cc2C1=O ZINC000004989908 210350873 /nfs/dbraw/zinc/35/08/73/210350873.db2.gz LGDBAEZUWCSQPC-FOCLMDBBSA-N 0 0 341.369 4.083 50 30 EIEARN Cc1ccc(-c2nc3ccccc3c(N=NCc3cccnc3)n2)cc1 ZINC000004989696 210350675 /nfs/dbraw/zinc/35/06/75/210350675.db2.gz CJSCJQGMZQLTQM-OEAKJJBVSA-N 0 0 339.402 4.446 50 30 EIEARN CCCSC1=N/C(=C\c2cc3c(cc2Cl)OCO3)C(=O)S1 ZINC000004913782 210321137 /nfs/dbraw/zinc/32/11/37/210321137.db2.gz VEWAQNCFPBTYHJ-WMZJFQQLSA-N 0 0 341.841 4.182 50 30 EIEARN O=C(/C=C/c1cc(Br)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000007058160 208580834 /nfs/dbraw/zinc/58/08/34/208580834.db2.gz DBLQEWFUSFLJSB-AATRIKPKSA-N 0 0 338.182 4.315 50 30 EIEARN COc1ccccc1/C=C1\CS/C(=C\c2ccccc2OC)C1=O ZINC000004882845 210311678 /nfs/dbraw/zinc/31/16/78/210311678.db2.gz KEZUJZFSRTZYLH-DPYYQBSUSA-N 0 0 338.428 4.444 50 30 EIEARN COc1ccccc1C(=O)Nc1ccc(C(=O)/C=C/c2ccco2)cc1 ZINC000004832656 210290795 /nfs/dbraw/zinc/29/07/95/210290795.db2.gz QVLRFVYWXCOEPW-OUKQBFOZSA-N 0 0 347.370 4.437 50 30 EIEARN CCOc1cc(C#N)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000004827134 210289132 /nfs/dbraw/zinc/28/91/32/210289132.db2.gz MNMRLKRJRNVVFY-UHFFFAOYSA-N 0 0 332.743 4.098 50 30 EIEARN C=CCc1ccc(OCCSc2nc3ccccc3[nH]2)c(OC)c1 ZINC000006748338 258044253 /nfs/dbraw/zinc/04/42/53/258044253.db2.gz SNLVVXXTFRCIFR-UHFFFAOYSA-N 0 0 340.448 4.471 50 30 biogenic EIEARN Cn1cc2c(n1)CCC[C@H]2C(=O)NC(C)(C)c1ccc(Cl)cc1 ZINC000330033061 258001697 /nfs/dbraw/zinc/00/16/97/258001697.db2.gz WDERHQIGKUBYSY-CQSZACIVSA-N 0 0 331.847 4.385 50 30 EIEARN C=CCN(Cc1ccccc1OC)C(=O)c1ccccc1NC(C)C ZINC000055054693 258014958 /nfs/dbraw/zinc/01/49/58/258014958.db2.gz GPWSFMUUYWMRJH-UHFFFAOYSA-N 0 0 338.451 4.344 50 30 EIEARN C=CCn1c(=S)[nH]nc1CCCOc1ccc(Cl)cc1Cl ZINC000002328213 258017619 /nfs/dbraw/zinc/01/76/19/258017619.db2.gz UFRGIAGRUSGHED-UHFFFAOYSA-N 0 0 344.267 4.445 50 30 EIEARN N#Cc1cccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000012878361 258055616 /nfs/dbraw/zinc/05/56/16/258055616.db2.gz BPLVAJZLJHUWMF-MRXNPFEDSA-N 0 0 333.416 4.145 50 30 EIEARN COC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253498628 258073443 /nfs/dbraw/zinc/07/34/43/258073443.db2.gz XWFWMYFLNHTEBF-HCNLZUIDSA-N 0 0 330.468 4.308 50 30 EIEARN COc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ccc(CC#N)cc1)CC3 ZINC000133167529 533234251 /nfs/dbraw/zinc/23/42/51/533234251.db2.gz DZGHAXDTBZIOAW-INIZCTEOSA-N 0 0 331.419 4.212 50 30 EIEARN C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000038204770 518441701 /nfs/dbraw/zinc/44/17/01/518441701.db2.gz OXAQEGPGLKNUSF-PEGOPYGQSA-N 0 0 338.319 4.189 50 30 EIEARN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(F)cc1F ZINC000063320525 518784713 /nfs/dbraw/zinc/78/47/13/518784713.db2.gz WMTUDPSAUJNGEK-UHFFFAOYSA-N 0 0 327.334 4.057 50 30 EIEARN C=CCN(Cc1cccs1)C(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000252481476 518789464 /nfs/dbraw/zinc/78/94/64/518789464.db2.gz CMUYYRBKLCIBHG-QGZVFWFLSA-N 0 0 325.433 4.023 50 30 EIEARN C=CCSc1nnc(NC(=O)c2oc3ccccc3c2C)s1 ZINC000006836505 519091535 /nfs/dbraw/zinc/09/15/35/519091535.db2.gz SWQKIIIVIPQLFB-UHFFFAOYSA-N 0 0 331.422 4.123 50 30 EIEARN C=CCn1c2ccccc2nc1SCCOc1ccccc1OC ZINC000011667108 519269027 /nfs/dbraw/zinc/26/90/27/519269027.db2.gz LXDPAHMJSZGNIV-UHFFFAOYSA-N 0 0 340.448 4.402 50 30 EIEARN CC1CCCC(C)(C)C1=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004600401 520789916 /nfs/dbraw/zinc/78/99/16/520789916.db2.gz ONVAZOFSMZWKGM-LICLKQGHSA-N 0 0 332.360 4.427 50 30 EIEARN CCOC(=O)c1ccc(NC2=CC(=O)C[C@@H](c3ccccc3)C2)cc1 ZINC000000435126 521518137 /nfs/dbraw/zinc/51/81/37/521518137.db2.gz UROUCYTZESGLLI-KRWDZBQOSA-N 0 0 335.403 4.306 50 30 EIEARN COc1cc(C(=O)/C=C/c2ccccc2OC(F)(F)F)ccc1O ZINC000012730172 522049649 /nfs/dbraw/zinc/04/96/49/522049649.db2.gz RHUHNWWYIHHFMN-SOFGYWHQSA-N 0 0 338.281 4.196 50 30 EIEARN CCc1noc(C)c1NC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000328588555 522856996 /nfs/dbraw/zinc/85/69/96/522856996.db2.gz SHWKGDFFECPCNS-CJNGLKHVSA-N 0 0 327.428 4.277 50 30 EIEARN COc1ccc(C(=O)/C=C\c2ccccc2OC(F)F)c(OC)c1 ZINC000033466851 523544662 /nfs/dbraw/zinc/54/46/62/523544662.db2.gz BLWJHNZNDVREJL-YFHOEESVSA-N 0 0 334.318 4.201 50 30 EIEARN CCc1ccc([C@H]2CCCN2C(=O)Nc2cnc(C)nc2C2CC2)o1 ZINC000328588988 524054754 /nfs/dbraw/zinc/05/47/54/524054754.db2.gz ZPONRVROZKGKNI-MRXNPFEDSA-N 0 0 340.427 4.200 50 30 EIEARN Cc1cccc(C(=O)O/N=C/c2c(Cl)n(C)c3ccccc23)c1 ZINC000004051484 524225596 /nfs/dbraw/zinc/22/55/96/524225596.db2.gz XBSYHOHGHXNCFX-RGVLZGJSSA-N 0 0 326.783 4.331 50 30 EIEARN Cc1cc(C)nc(NC(=N)Nc2ccccc2Sc2ccccc2)n1 ZINC000006275801 524575323 /nfs/dbraw/zinc/57/53/23/524575323.db2.gz LIZZIZMITZEMPU-UHFFFAOYSA-N 0 0 349.463 4.303 50 30 EIEARN Cc1ccc(O[C@@H](C)C(=O)Nc2n[nH]c(-c3ccc(C)cc3)n2)cc1 ZINC000016965076 525455681 /nfs/dbraw/zinc/45/56/81/525455681.db2.gz HMRYSOTVVVUECW-AWEZNQCLSA-N 0 0 336.395 4.144 50 30 EIEARN CSc1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)cc1 ZINC000034782519 525952456 /nfs/dbraw/zinc/95/24/56/525952456.db2.gz VLUPROJXHBBMEW-WCIBSUBMSA-N 0 0 339.460 4.141 50 30 EIEARN Cc1cc(-c2ccccc2)nc(N=NCc2cc(Cl)ccc2O)n1 ZINC000004154843 526043314 /nfs/dbraw/zinc/04/33/14/526043314.db2.gz ZMXUDXBPYHFUPN-RGVLZGJSSA-N 0 0 338.798 4.257 50 30 EIEARN O=C(CN=C(c1ccccc1)c1ccccc1)OCc1ccccc1 ZINC000026895337 526828853 /nfs/dbraw/zinc/82/88/53/526828853.db2.gz KFNIDRLZPBRDNJ-UHFFFAOYSA-N 0 0 329.399 4.267 50 30 in-vitro EIEARN CCN(CC)c1ccc(/C=N/c2cccc([N+](=O)[O-])c2C)c(O)c1 ZINC000000125133 563236575 /nfs/dbraw/zinc/23/65/75/563236575.db2.gz GOZVSVAMHRIEKC-XDHOZWIPSA-N 0 0 327.384 4.206 50 30 EIEARN Cc1nnc(C)n1/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000000228484 563263403 /nfs/dbraw/zinc/26/34/03/563263403.db2.gz LKSDFDVVUMOJFJ-RGVLZGJSSA-N 0 0 328.460 4.078 50 30 EIEARN CC1(C)Cc2ccccc2C(NN=Cc2c(O)ccc3ccccc32)=N1 ZINC000000320664 563284385 /nfs/dbraw/zinc/28/43/85/563284385.db2.gz DSQRDBVPXNRMEZ-OEAKJJBVSA-N 0 0 343.430 4.250 50 30 EIEARN Cc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc4ccccc4n32)cc1 ZINC000000544888 563344171 /nfs/dbraw/zinc/34/41/71/563344171.db2.gz ZFXNTLKCXQKRCX-HXUWFJFHSA-N 0 0 329.403 4.367 50 30 EIEARN Cc1cccc(NC(=S)N/N=C/c2c(O)ccc3ccccc32)c1 ZINC000000731361 563362699 /nfs/dbraw/zinc/36/26/99/563362699.db2.gz CSEFMPIFXDGPGZ-UDWIEESQSA-N 0 0 335.432 4.174 50 30 EIEARN O=C1Nc2ccccc2/C1=N\N=C\c1ccc(-c2ccccc2Cl)o1 ZINC000001496732 563390985 /nfs/dbraw/zinc/39/09/85/563390985.db2.gz KQUNHBWVGCYOCV-SRZZPIQSSA-N 0 0 349.777 4.375 50 30 EIEARN C[C@H](C#N)Sc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C ZINC000012632283 563666432 /nfs/dbraw/zinc/66/64/32/563666432.db2.gz JOFQSDDFHBYVKU-GUTXKFCHSA-N 0 0 327.457 4.095 50 30 EIEARN CC(C)(C)c1ccc(C(=O)ONC(=N)c2ccc(Cl)cc2)cc1 ZINC000012655329 563667193 /nfs/dbraw/zinc/66/71/93/563667193.db2.gz ZOJVBQZTRQVMNP-UHFFFAOYSA-N 0 0 330.815 4.115 50 30 EIEARN Cc1[nH]nc2c1[C@@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000013123456 563689149 /nfs/dbraw/zinc/68/91/49/563689149.db2.gz BNEROYONXLJEDW-MRXNPFEDSA-N 0 0 325.387 4.058 50 30 EIEARN Cc1noc(C(C)C)c1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000032908469 563800048 /nfs/dbraw/zinc/80/00/48/563800048.db2.gz VZDTXWQSOYWAIV-UHFFFAOYSA-N 0 0 345.402 4.154 50 30 EIEARN Oc1ccc(Br)cc1C=NN=c1[nH]c2ccccc2s1 ZINC000016671215 563820178 /nfs/dbraw/zinc/82/01/78/563820178.db2.gz OCVIGUACSOHJHP-PXNMLYILSA-N 0 0 348.225 4.210 50 30 EIEARN CCCCc1ccc(/N=C2\NC(=O)[C@@H](Cc3ccccc3)S2)cc1 ZINC000016974004 563827611 /nfs/dbraw/zinc/82/76/11/563827611.db2.gz RFZPBJHOGAKHOC-GOSISDBHSA-N 0 0 338.476 4.491 50 30 EIEARN COc1ccc(N=C2C(=O)Nc3ccc(Br)cc32)cc1 ZINC000018024285 563847434 /nfs/dbraw/zinc/84/74/34/563847434.db2.gz WGAFLWYXQOACCE-UHFFFAOYSA-N 0 0 331.169 4.180 50 30 EIEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@H]2c2cccc3ccccc32)C1 ZINC000018180539 563850621 /nfs/dbraw/zinc/85/06/21/563850621.db2.gz DPYHNUHLPHBZMF-IBGZPJMESA-N 0 0 344.418 4.089 50 30 EIEARN O=C(O/N=C/c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000033711125 563916488 /nfs/dbraw/zinc/91/64/88/563916488.db2.gz LGRHXXPVDNVYTA-CAOOACKPSA-N 0 0 339.134 4.093 50 30 EIEARN N#Cc1ccc(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)cc1 ZINC000032996572 563921682 /nfs/dbraw/zinc/92/16/82/563921682.db2.gz YSPWSUAZLUANBS-UHFFFAOYSA-N 0 0 344.374 4.128 50 30 EIEARN Oc1ccc(Br)cc1/C=N/Cc1cc(F)cc(F)c1 ZINC000044835650 563926704 /nfs/dbraw/zinc/92/67/04/563926704.db2.gz FVWJENLXTVKXFU-QGMBQPNBSA-N 0 0 326.140 4.052 50 30 EIEARN Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)o1 ZINC000013759390 563932803 /nfs/dbraw/zinc/93/28/03/563932803.db2.gz ULBHOVHZONDPNR-YVLHZVERSA-N 0 0 336.299 4.016 50 30 EIEARN Cc1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)o1 ZINC000013769363 563932928 /nfs/dbraw/zinc/93/29/28/563932928.db2.gz KSDLRGUNLKUSLQ-YBEGLDIGSA-N 0 0 326.348 4.156 50 30 EIEARN COc1ccc(-c2csc(C(C#N)C(=O)[C@H]3CC=CCC3)n2)cc1 ZINC000058305085 563942061 /nfs/dbraw/zinc/94/20/61/563942061.db2.gz VYQDGBQCUAQOJP-HOCLYGCPSA-N 0 0 338.432 4.351 50 30 EIEARN CSc1ccc(-c2nc(CN3CCC[C@H](C#N)C3)c(C)o2)cc1 ZINC000071776423 563965761 /nfs/dbraw/zinc/96/57/61/563965761.db2.gz KZYVNMSTRBCFFT-CQSZACIVSA-N 0 0 327.453 4.108 50 30 EIEARN CC1=C(c2cccc([N+](=O)[O-])c2)[C@H](c2cccc([N+](=O)[O-])c2)CC1=O ZINC000003110338 563971038 /nfs/dbraw/zinc/97/10/38/563971038.db2.gz OUUITPBWLBBJPZ-INIZCTEOSA-N 0 0 338.319 4.033 50 30 EIEARN Cc1c(-c2ccc(Cl)cc2)oc(=O)c(C#N)c1N1CCCCC1 ZINC000585145615 563973518 /nfs/dbraw/zinc/97/35/18/563973518.db2.gz DANXEONOJISXGM-UHFFFAOYSA-N 0 0 328.799 4.131 50 30 EIEARN N#Cc1cccc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)c1 ZINC000071750296 563983006 /nfs/dbraw/zinc/98/30/06/563983006.db2.gz ZKXHADHRSMHSHY-QGZVFWFLSA-N 0 0 336.410 4.182 50 30 EIEARN N#Cc1c(N)nc(-c2ccc(Cl)cc2Cl)cc1[C@@H]1CCOC1 ZINC000071759511 563983027 /nfs/dbraw/zinc/98/30/27/563983027.db2.gz OWPBAZUERWZKTA-SECBINFHSA-N 0 0 334.206 4.013 50 30 EIEARN N#Cc1c(N)nc(-c2ccc[nH]2)cc1-c1ccc([C@H]2CCCO2)s1 ZINC000071770878 563983070 /nfs/dbraw/zinc/98/30/70/563983070.db2.gz XFNKYZWAASCLGD-OAHLLOKOSA-N 0 0 336.420 4.111 50 30 EIEARN C[C@H](Nc1oc(COc2ccccc2F)nc1C#N)c1ccccc1 ZINC000000108157 563986583 /nfs/dbraw/zinc/98/65/83/563986583.db2.gz RFPPNSOTTHMPJK-ZDUSSCGKSA-N 0 0 337.354 4.437 50 30 EIEARN CCOC(=O)c1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000292923 563990282 /nfs/dbraw/zinc/99/02/82/563990282.db2.gz JPCOGFQUCJVBSR-VCHYOVAHSA-N 0 0 332.743 4.176 50 30 EIEARN Cn1nc(C(F)(F)F)c(/C=N/[O-])c1SCc1ccc(Cl)cc1 ZINC000100271506 563992058 /nfs/dbraw/zinc/99/20/58/563992058.db2.gz HROFCKDJLKRASM-NGYBGAFCSA-N 0 0 349.765 4.193 50 30 EIEARN Cc1ncc(CO)c(/C=N/c2ccc(Oc3ccccc3)cc2)c1O ZINC000005110556 563994408 /nfs/dbraw/zinc/99/44/08/563994408.db2.gz CIFNHLKEWWBOPO-WSDLNYQXSA-N 0 0 334.375 4.131 50 30 EIEARN N#CCCSc1ccccc1NC(=O)Cc1cnc2ccccc2c1 ZINC000130797352 563996296 /nfs/dbraw/zinc/99/62/96/563996296.db2.gz DDGXPMSIDRBPAX-UHFFFAOYSA-N 0 0 347.443 4.422 50 30 EIEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000274917 563996674 /nfs/dbraw/zinc/99/66/74/563996674.db2.gz OAYLHCRSAQIWMW-UHFFFAOYSA-N 0 0 345.310 4.317 50 30 EIEARN Cc1nc(SCC(=O)c2c[nH]c3ccccc32)c(C#N)c(C)c1C ZINC000005226393 564001299 /nfs/dbraw/zinc/00/12/99/564001299.db2.gz PVFXGZAMRKTPCV-UHFFFAOYSA-N 0 0 335.432 4.335 50 30 EIEARN S=C(N=NCc1ccccc1Br)Nc1ccccc1 ZINC000005237145 564001393 /nfs/dbraw/zinc/00/13/93/564001393.db2.gz OZKIYDAUXKPCPR-YBEGLDIGSA-N 0 0 334.242 4.181 50 30 EIEARN COc1ccc2ccc(O[C@H](C)C(=O)Nc3cccc(C#N)c3)cc2c1 ZINC000005365682 564003097 /nfs/dbraw/zinc/00/30/97/564003097.db2.gz YVZDKWHPBWCMAX-CQSZACIVSA-N 0 0 346.386 4.126 50 30 EIEARN COc1ccc(C(=O)/C=C/c2cc(Br)ccc2O)cc1 ZINC000005555601 564005301 /nfs/dbraw/zinc/00/53/01/564005301.db2.gz RXEZLHKVZQYXIY-XBXARRHUSA-N 0 0 333.181 4.059 50 30 EIEARN CC(=O)Nc1ccc(/C=C/C(=O)c2ccccc2OC(F)F)cc1 ZINC000006048348 564006287 /nfs/dbraw/zinc/00/62/87/564006287.db2.gz OJYGXXDXLWPXSO-DHZHZOJOSA-N 0 0 331.318 4.143 50 30 EIEARN N#C[C@@H](C(=O)c1cccn1C1CC1)c1nc2ccccc2n1C(F)F ZINC000181427294 564017034 /nfs/dbraw/zinc/01/70/34/564017034.db2.gz VKUBTMOOKZSJGH-LBPRGKRZSA-N 0 0 340.333 4.058 50 30 EIEARN COc1ccc(C=Nc2ccc(NC3=NC[C@H](C)S3)cc2)cc1 ZINC000000501430 564019040 /nfs/dbraw/zinc/01/90/40/564019040.db2.gz HCMJEMKILGKDQN-HCZVKUGISA-N 0 0 325.437 4.349 50 30 EIEARN COc1cccc(C2CC(=O)C(=CNc3ccc(C)cc3)C(=O)C2)c1 ZINC000005699122 564019326 /nfs/dbraw/zinc/01/93/26/564019326.db2.gz XFDWEDAXYQTPRK-UHFFFAOYSA-N 0 0 335.403 4.015 50 30 EIEARN C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000013476526 564020018 /nfs/dbraw/zinc/02/00/18/564020018.db2.gz DUDQDRNJRIWEEJ-IZZDOVSWSA-N 0 0 330.261 4.381 50 30 EIEARN COc1ccc(-c2c3c(nc(C)c2C#N)-c2ccccc2C3=O)cc1 ZINC000000545923 564022698 /nfs/dbraw/zinc/02/26/98/564022698.db2.gz UMIONWWTGWTKKI-UHFFFAOYSA-N 0 0 326.355 4.149 50 30 EIEARN CC(C)(C)c1ccc(-c2nc(C#N)c(NC[C@H]3CCCO3)o2)cc1 ZINC000000546835 564022738 /nfs/dbraw/zinc/02/27/38/564022738.db2.gz VDGMHHMOMROGMV-OAHLLOKOSA-N 0 0 325.412 4.102 50 30 EIEARN O=C(C=C(Nc1ccccn1)C(=O)c1ccccc1)c1ccccc1 ZINC000103640176 564023032 /nfs/dbraw/zinc/02/30/32/564023032.db2.gz PJNLKGLYAGLKLJ-SDXDJHTJSA-N 0 0 328.371 4.143 50 30 EIEARN C=CC/N=C1\S/C(=C/c2ccccc2O)C(=O)N1C1CCCCC1 ZINC000103886075 564023294 /nfs/dbraw/zinc/02/32/94/564023294.db2.gz PVBOCTZTXGZIFX-YWKYIXQJSA-N 0 0 342.464 4.183 50 30 EIEARN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccon2)cc1Cl ZINC000104260661 564023819 /nfs/dbraw/zinc/02/38/19/564023819.db2.gz KUXJJEQVLWCGBD-HNNXBMFYSA-N 0 0 337.766 4.236 50 30 EIEARN Cc1cccc(CCC(=O)[C@@H](C#N)c2nc(-c3ccccn3)cs2)c1 ZINC000048314077 564031020 /nfs/dbraw/zinc/03/10/20/564031020.db2.gz JELAGMNULNOJKT-MRXNPFEDSA-N 0 0 347.443 4.323 50 30 EIEARN CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC ZINC000007336102 564034333 /nfs/dbraw/zinc/03/43/33/564034333.db2.gz AKIYYPZSKJKFJU-VMPITWQZSA-N 0 0 330.355 4.138 50 30 EIEARN C=CCOc1c(CNc2ccc(NC(C)=O)cc2)cccc1OCC ZINC000002861587 564036268 /nfs/dbraw/zinc/03/62/68/564036268.db2.gz SYPBFYKJTKKFBU-UHFFFAOYSA-N 0 0 340.423 4.221 50 30 EIEARN C[C@@H](NCc1cccc(C#N)c1)c1ccc(C(F)(F)F)nc1Cl ZINC000585140072 564052683 /nfs/dbraw/zinc/05/26/83/564052683.db2.gz ZVUOHBCXCGXKSD-SNVBAGLBSA-N 0 0 339.748 4.476 50 30 EIEARN N#Cc1c(N)n(-c2ccc(OC(F)(F)F)cc2)cc1-c1ccccc1 ZINC000015108234 564053670 /nfs/dbraw/zinc/05/36/70/564053670.db2.gz VXMFKEOTCFHQGV-UHFFFAOYSA-N 0 0 343.308 4.497 50 30 EIEARN Cc1ccc(/N=C2\NC(=O)[C@H](Cc3ccccc3Cl)S2)cc1 ZINC000005812634 564054549 /nfs/dbraw/zinc/05/45/49/564054549.db2.gz QFXYURKPGDEENG-HNNXBMFYSA-N 0 0 330.840 4.110 50 30 EIEARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000257345587 564055796 /nfs/dbraw/zinc/05/57/96/564055796.db2.gz CBOGURZXXNBKGU-QMTHTIGJSA-N 0 0 346.511 4.117 50 30 EIEARN COc1ccc(Nc2nc(SC)nc(-c3ccccc3)c2C#N)cc1 ZINC000007995236 564057494 /nfs/dbraw/zinc/05/74/94/564057494.db2.gz GFFUZIAFTPGITB-UHFFFAOYSA-N 0 0 348.431 4.489 50 30 EIEARN N#Cc1cnn2c1N[C@@H](c1ccc(Cl)s1)C[C@@H]2C(F)(F)F ZINC000002752149 564057869 /nfs/dbraw/zinc/05/78/69/564057869.db2.gz BHCQXQHFDSPOJU-VXNVDRBHSA-N 0 0 332.738 4.130 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(C=Cc2ccco2)C[C@H]1c1ccccc1 ZINC000083265056 564062823 /nfs/dbraw/zinc/06/28/23/564062823.db2.gz NNXQOKQHXMPRDJ-LWNBXFKYSA-N 0 0 336.387 4.155 50 30 EIEARN C=C(C)CSc1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccco1 ZINC000071794091 564063747 /nfs/dbraw/zinc/06/37/47/564063747.db2.gz TZTOSRGGKMLMSL-GASCZTMLSA-N 0 0 346.500 4.070 50 30 EIEARN CSc1cc(-c2ccccc2)n(Cc2ccccc2)c(=O)c1C#N ZINC000001388918 564064329 /nfs/dbraw/zinc/06/43/29/564064329.db2.gz DBAAQWAETSECIW-UHFFFAOYSA-N 0 0 332.428 4.157 50 30 EIEARN CSc1nn2ccc(-c3cccc(C(F)(F)F)c3)nc2c1C#N ZINC000001390679 564064408 /nfs/dbraw/zinc/06/44/08/564064408.db2.gz QZPBKHDVWUUCSO-UHFFFAOYSA-N 0 0 334.326 4.009 50 30 EIEARN CN(C)c1nc(-c2ccccc2)nc(-c2ccc(Cl)cc2)c1C#N ZINC000001393383 564064445 /nfs/dbraw/zinc/06/44/45/564064445.db2.gz AZOPECUUMRZTJY-UHFFFAOYSA-N 0 0 334.810 4.402 50 30 EIEARN CC[C@@H](C)Cc1c(C)sc2[nH]c(SCCCC#N)nc(=O)c12 ZINC000012747087 564065739 /nfs/dbraw/zinc/06/57/39/564065739.db2.gz LSVZKQVRRWMDDQ-SNVBAGLBSA-N 0 0 335.498 4.278 50 30 EIEARN C=CCN(Cc1cccc(OC)c1)Cc1coc2ccc(C)cc2c1=O ZINC000063844871 564066415 /nfs/dbraw/zinc/06/64/15/564066415.db2.gz FCLVBULNRPNNJT-UHFFFAOYSA-N 0 0 349.430 4.298 50 30 EIEARN CCCn1c(Sc2ncccc2C#N)nnc1-c1cccc(C)c1 ZINC000012749597 564066474 /nfs/dbraw/zinc/06/64/74/564066474.db2.gz XLWRTXQAMNDYKB-UHFFFAOYSA-N 0 0 335.436 4.081 50 30 EIEARN N#CC1(c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)CCC1 ZINC000084419211 564068105 /nfs/dbraw/zinc/06/81/05/564068105.db2.gz AWLCIGKTOPQFON-UHFFFAOYSA-N 0 0 336.326 4.008 50 30 EIEARN Cc1ccc(OCc2nc(C(=O)Nc3cccc(C#N)c3)cs2)cc1 ZINC000012820520 564074286 /nfs/dbraw/zinc/07/42/86/564074286.db2.gz LSKGUMDNAJQFBV-UHFFFAOYSA-N 0 0 349.415 4.155 50 30 EIEARN C=CCc1c(C)nc(-c2ccc(F)c(Cl)c2)nc1OC(=O)N(C)C ZINC000000089258 564074455 /nfs/dbraw/zinc/07/44/55/564074455.db2.gz JWFSBIWGJYUFOD-UHFFFAOYSA-N 0 0 349.793 4.033 50 30 EIEARN C[C@H](CC#N)N(C)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000086280935 564075529 /nfs/dbraw/zinc/07/55/29/564075529.db2.gz OVOZASQGFLYTMJ-CYBMUJFWSA-N 0 0 334.851 4.096 50 30 EIEARN O=C(/C=C/c1ccco1)c1cc2cc(Br)ccc2oc1=O ZINC000025668155 564076132 /nfs/dbraw/zinc/07/61/32/564076132.db2.gz LBRZOQPYAQAYLI-SNAWJCMRSA-N 0 0 345.148 4.045 50 30 EIEARN COc1ccc(-c2csc(N=NC(C)c3ccc(C)cc3)n2)cc1 ZINC000035653414 564076138 /nfs/dbraw/zinc/07/61/38/564076138.db2.gz QUOAQUZXFLZIIH-KGENOOAVSA-N 0 0 337.448 4.385 50 30 EIEARN S=C1N=NC(c2ccccc2Cl)N1N=CC=Cc1ccco1 ZINC000006192628 564078698 /nfs/dbraw/zinc/07/86/98/564078698.db2.gz QFMFTZZSXAUUED-AHEHSYJASA-N 0 0 330.800 4.028 50 30 EIEARN N#C[C@@H](C(=O)Cc1cccc2ccccc21)c1nc2ccccc2[nH]1 ZINC000012933368 564079082 /nfs/dbraw/zinc/07/90/82/564079082.db2.gz GLSDBQUKWXDBSJ-KRWDZBQOSA-N 0 0 325.371 4.135 50 30 EIEARN C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(C)c(C)c2)cc1 ZINC000027662271 564079178 /nfs/dbraw/zinc/07/91/78/564079178.db2.gz FTWYQZVOCOQUOW-UHFFFAOYSA-N 0 0 349.390 4.171 50 30 EIEARN N#C[C@@H](OC(=O)c1cc2ccccc2n1Cc1ccccc1F)C1CC1 ZINC000075092208 564079940 /nfs/dbraw/zinc/07/99/40/564079940.db2.gz PONUTSWUAWNERT-HXUWFJFHSA-N 0 0 348.377 4.288 50 30 EIEARN C=CCOc1ccccc1/C=N/CC/N=C/c1ccccc1OCC=C ZINC000075249888 564081168 /nfs/dbraw/zinc/08/11/68/564081168.db2.gz MZDHAGBXYCWHTO-GJHDBBOXSA-N 0 0 348.446 4.354 50 30 EIEARN Oc1ccc(-c2csc(N=NCc3c[nH]c4ccccc34)n2)cc1 ZINC000252617006 564086954 /nfs/dbraw/zinc/08/69/54/564086954.db2.gz KKJDOQBXMDDMQB-UHFFFAOYSA-N 0 0 334.404 4.443 50 30 EIEARN C=CCn1c(SCc2ccccc2N(C)C)nnc1-c1ccco1 ZINC000123912622 564087324 /nfs/dbraw/zinc/08/73/24/564087324.db2.gz DQYWIDWEJAWWTK-UHFFFAOYSA-N 0 0 340.452 4.082 50 30 EIEARN C=C(C)Cn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21 ZINC000001927067 564090285 /nfs/dbraw/zinc/09/02/85/564090285.db2.gz GBOSFKAMAFZDBT-UHFFFAOYSA-N 0 0 339.826 4.196 50 30 EIEARN O=C1c2ccc(O)cc2O/C1=C\c1oc2cc(O)ccc2c1Cl ZINC000013769665 564090955 /nfs/dbraw/zinc/09/09/55/564090955.db2.gz BJORVQIIJBQALF-CHHVJCJISA-N 0 0 328.707 4.114 50 30 biogenic EIEARN O=C(Nc1cccc(Cl)c1)ONC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006550656 564091954 /nfs/dbraw/zinc/09/19/54/564091954.db2.gz PUVDNEKRJLTMSK-UHFFFAOYSA-N 0 0 348.830 4.136 50 30 EIEARN CCn1nc(C)c(/C=C/C(=O)c2ccc(Br)cc2)c1C ZINC000006556013 564092020 /nfs/dbraw/zinc/09/20/20/564092020.db2.gz NKWNKPCOPZGNPH-MDZDMXLPSA-N 0 0 333.229 4.178 50 30 EIEARN COc1ccc(-c2ccc(C(=O)N3CCC(C)(C#N)CC3)cc2)c(C)c1 ZINC000426550370 564094125 /nfs/dbraw/zinc/09/41/25/564094125.db2.gz GHURRRVGQRDICI-UHFFFAOYSA-N 0 0 348.446 4.437 50 30 EIEARN Cc1ccc(C)c(/N=C2\C(=O)Nc3ccc(Br)cc32)c1 ZINC000006714907 564096325 /nfs/dbraw/zinc/09/63/25/564096325.db2.gz SRLBEGYZCGKXIH-UHFFFAOYSA-N 0 0 329.197 4.139 50 30 EIEARN C=CCn1c(SCCC)nc2sc3c(c2c1=O)C[C@@H](C)CC3 ZINC000006891146 564100863 /nfs/dbraw/zinc/10/08/63/564100863.db2.gz WMBAAGYJYNQCRZ-NSHDSACASA-N 0 0 334.510 4.271 50 30 EIEARN CCOc1ccc(N(CCC#N)C(=O)c2ccc3ccccc3n2)cc1 ZINC000065487695 564106329 /nfs/dbraw/zinc/10/63/29/564106329.db2.gz BVBNKAIIQFACQK-UHFFFAOYSA-N 0 0 345.402 4.194 50 30 EIEARN Cc1c2c(n3c4ccccc4nc3c1C#N)N(Cc1ccccc1)CC2 ZINC000007425229 564108380 /nfs/dbraw/zinc/10/83/80/564108380.db2.gz ZQWHFVOYATZGCG-UHFFFAOYSA-N 0 0 338.414 4.230 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccc(F)cc1 ZINC000170623391 564110426 /nfs/dbraw/zinc/11/04/26/564110426.db2.gz OQPOQBPNAIRYFW-WMZOPIPTSA-N 0 0 344.407 4.207 50 30 EIEARN N#Cc1cccc(-c2nnc(CNc3ccc(C(F)(F)F)cc3)o2)c1 ZINC000089780875 564113706 /nfs/dbraw/zinc/11/37/06/564113706.db2.gz MXDGEHHZTJEZLK-UHFFFAOYSA-N 0 0 344.296 4.239 50 30 EIEARN C=CCn1c(Sc2ncnc3c4ccccc4oc32)nnc1C1CC1 ZINC000089914002 564115281 /nfs/dbraw/zinc/11/52/81/564115281.db2.gz JSJAZZYLWHDFSP-UHFFFAOYSA-N 0 0 349.419 4.182 50 30 EIEARN COc1cccc(C(C)=NNC(=S)Nc2ccc(C)cc2C)c1 ZINC000252452705 564118579 /nfs/dbraw/zinc/11/85/79/564118579.db2.gz XFBRNMUZHFFPTH-UHFFFAOYSA-N 0 0 327.453 4.023 50 30 EIEARN NC(=O)c1cccc(N=Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000252462814 564118775 /nfs/dbraw/zinc/11/87/75/564118775.db2.gz WNCQHYFEQRBAJC-UHFFFAOYSA-N 0 0 330.387 4.115 50 30 EIEARN C=C(C)COc1ccc([C@@H]2NC(=O)c3ccccc3O2)cc1OC ZINC000002137985 564118894 /nfs/dbraw/zinc/11/88/94/564118894.db2.gz YHAPJHQNXDQHMD-LJQANCHMSA-N 0 0 325.364 4.046 50 30 biogenic EIEARN CSc1cccc(F)c1C(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000252493914 564119657 /nfs/dbraw/zinc/11/96/57/564119657.db2.gz NGHKRJCTHKCRIZ-ZDUSSCGKSA-N 0 0 334.803 4.196 50 30 EIEARN CCOc1cc(C#N)ccc1OC(=O)c1ccc(C(F)(F)F)cc1 ZINC000007687361 564121903 /nfs/dbraw/zinc/12/19/03/564121903.db2.gz YJJCTPOBMZXPLN-UHFFFAOYSA-N 0 0 335.281 4.195 50 30 EIEARN Cc1csc(N(C(=O)COc2ccc(C#N)cc2)c2ccccc2)n1 ZINC000007688886 564121946 /nfs/dbraw/zinc/12/19/46/564121946.db2.gz AVGHQNHFZRLBEV-UHFFFAOYSA-N 0 0 349.415 4.067 50 30 EIEARN Cc1c(N=Cc2cccnc2)cc([N+](=O)[O-])cc1N=Cc1cccnc1 ZINC000252613898 564121958 /nfs/dbraw/zinc/12/19/58/564121958.db2.gz JEJIHDUCOIUFST-UHFFFAOYSA-N 0 0 345.362 4.194 50 30 EIEARN COc1ccc(Br)cc1C=Nc1ccc(N(C)C)cc1 ZINC000252628374 564123453 /nfs/dbraw/zinc/12/34/53/564123453.db2.gz SONAQGJPBNVVOY-UHFFFAOYSA-N 0 0 333.229 4.274 50 30 EIEARN CCOC(=O)c1ccccc1NC=CC(=O)c1ccc(OC)cc1 ZINC000252630216 564123567 /nfs/dbraw/zinc/12/35/67/564123567.db2.gz UXHKXKMTEJNAFU-UDWIVRIUSA-N 0 0 325.364 4.173 50 30 EIEARN N#CC[C@@H](C[C@H](CC#N)C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000002271863 564125464 /nfs/dbraw/zinc/12/54/64/564125464.db2.gz NCZTWKGRVOLRBZ-OALUTQOASA-N 0 0 330.387 4.202 50 30 EIEARN COc1cccc(Nc2nnc(S[C@@H]3CC[C@H](C#N)C3)s2)c1 ZINC000253428895 564131303 /nfs/dbraw/zinc/13/13/03/564131303.db2.gz LOUGKXLLRDJHMP-GXFFZTMASA-N 0 0 332.454 4.075 50 30 EIEARN CCOC(=O)c1ccccc1CSc1nc(C)cc(C)c1C#N ZINC000000293618 564133087 /nfs/dbraw/zinc/13/30/87/564133087.db2.gz UPOYRNWONYQJEH-UHFFFAOYSA-N 0 0 326.421 4.039 50 30 EIEARN S=C1N=NC(c2ccccc2)N1N=Cc1ccc(Cl)cc1Cl ZINC000253616967 564133233 /nfs/dbraw/zinc/13/32/33/564133233.db2.gz HXISZTRXLVJJKN-UHFFFAOYSA-N 0 0 349.246 4.423 50 30 EIEARN Cc1cc(Nc2ccc3c(c2)OCO3)n2c3ccccc3nc2c1C#N ZINC000000445282 564133262 /nfs/dbraw/zinc/13/32/62/564133262.db2.gz JJVDJTJGQIXIGD-UHFFFAOYSA-N 0 0 342.358 4.140 50 30 EIEARN N#Cc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1 ZINC000000479738 564133294 /nfs/dbraw/zinc/13/32/94/564133294.db2.gz RVAJGXMUMIAAQD-UHFFFAOYSA-N 0 0 347.237 4.052 50 30 EIEARN CC(C)c1cc(NCc2cccnc2)n2c3ccccc3nc2c1C#N ZINC000000536025 564133398 /nfs/dbraw/zinc/13/33/98/564133398.db2.gz NVDXPTVMSWUHNL-UHFFFAOYSA-N 0 0 341.418 4.490 50 30 EIEARN C[C@H](NC(=O)c1ccc2ccc(Cl)cc2n1)c1ccc(C#N)cc1 ZINC000225461844 564134988 /nfs/dbraw/zinc/13/49/88/564134988.db2.gz ZTMVYKYENATIGP-LBPRGKRZSA-N 0 0 335.794 4.251 50 30 EIEARN COc1ccc([C@@H]2C[C@@H]2/C(C)=N/OC(=O)c2ccc(F)cc2)cc1 ZINC000012350616 564135152 /nfs/dbraw/zinc/13/51/52/564135152.db2.gz JSTWPIVFSOQCCS-YAHSPCSVSA-N 0 0 327.355 4.171 50 30 EIEARN COc1ccc(CNc2sc3c(c2C#N)CC(C)(C)OC3)cc1 ZINC000002443521 564135201 /nfs/dbraw/zinc/13/52/01/564135201.db2.gz RALBOQIVSZCYSL-UHFFFAOYSA-N 0 0 328.437 4.092 50 30 EIEARN CCc1noc(C)c1C(=O)Nc1sc2c(c1C#N)CC[C@@H](CC)C2 ZINC000013327313 564136226 /nfs/dbraw/zinc/13/62/26/564136226.db2.gz IYSZCEUKKNFBGO-LLVKDONJSA-N 0 0 343.452 4.246 50 30 EIEARN Cc1ccc(C)c(-c2csc(NC(=O)[C@H]3CCCO3)c2C#N)c1 ZINC000013328634 564136235 /nfs/dbraw/zinc/13/62/35/564136235.db2.gz TUEGMIKAIGULJQ-MRXNPFEDSA-N 0 0 326.421 4.021 50 30 EIEARN C=CC[C@@H](CC)NC(=O)Nc1cccc2c1CN(c1nccs1)C2 ZINC000328588502 564136638 /nfs/dbraw/zinc/13/66/38/564136638.db2.gz RETUTMPKWFMVGO-CQSZACIVSA-N 0 0 342.468 4.344 50 30 EIEARN CC(=O)Nc1cccc(NC(=O)N(C)[C@@H](C)C2CCCCC2)c1C ZINC000330436967 564139079 /nfs/dbraw/zinc/13/90/79/564139079.db2.gz NMQISFPWBWXKBD-AWEZNQCLSA-N 0 0 331.460 4.400 50 30 EIEARN C=CCn1c(SC2C[C@@H](C)O[C@H](C)C2)nnc1-c1cccc(C)c1 ZINC000095440605 564140519 /nfs/dbraw/zinc/14/05/19/564140519.db2.gz URLUJNCDQJSADB-HUUCEWRRSA-N 0 0 343.496 4.488 50 30 EIEARN CC[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000095460564 564140795 /nfs/dbraw/zinc/14/07/95/564140795.db2.gz SQJPPLVBBYXUIG-OAHLLOKOSA-N 0 0 347.378 4.420 50 30 EIEARN C[C@@H]1C[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]32)CC1=NN ZINC000254482739 564141761 /nfs/dbraw/zinc/14/17/61/564141761.db2.gz BQTJGNTXJNEPFQ-FAIYVORSSA-N 0 0 332.532 4.341 50 30 EIEARN O=C(/C=C/C(Cl)=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000096133895 564145779 /nfs/dbraw/zinc/14/57/79/564145779.db2.gz SSFLIVURUHUENQ-GLMVTYHNSA-N 0 0 326.779 4.477 50 30 EIEARN N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NCCc1ccccc1 ZINC000096346552 564146889 /nfs/dbraw/zinc/14/68/89/564146889.db2.gz AHITXPXITHQFPL-ZWKOTPCHSA-N 0 0 329.403 4.472 50 30 EIEARN CC[C@@H](C)CN(C)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC000096422066 564147961 /nfs/dbraw/zinc/14/79/61/564147961.db2.gz MMXUPOMAHBKXIA-CQSZACIVSA-N 0 0 338.411 4.255 50 30 EIEARN CC(C)(C)[S@@](=O)Cc1cccc(NCc2cccc(C#N)c2)c1 ZINC000096482894 564148630 /nfs/dbraw/zinc/14/86/30/564148630.db2.gz UXUFJYRDIKKATB-HSZRJFAPSA-N 0 0 326.465 4.218 50 30 EIEARN Cc1sc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)c(C#N)c1C ZINC000028227422 564150748 /nfs/dbraw/zinc/15/07/48/564150748.db2.gz CVGYSXUQENLXMR-LBPRGKRZSA-N 0 0 340.448 4.131 50 30 EIEARN Cc1sc(NC(=O)COc2ccc(Cl)cc2C)c(C#N)c1C ZINC000002748423 564152404 /nfs/dbraw/zinc/15/24/04/564152404.db2.gz BICVLWUXXZGOSW-UHFFFAOYSA-N 0 0 334.828 4.216 50 30 EIEARN Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1C ZINC000002864542 564152836 /nfs/dbraw/zinc/15/28/36/564152836.db2.gz CZHABHUZEJECPY-UHFFFAOYSA-N 0 0 340.448 4.133 50 30 EIEARN N#Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)c(F)c1 ZINC000003017173 564154364 /nfs/dbraw/zinc/15/43/64/564154364.db2.gz XFDOOJQPDGGFNB-UHFFFAOYSA-N 0 0 343.789 4.203 50 30 EIEARN C[C@@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl ZINC000030288406 564155820 /nfs/dbraw/zinc/15/58/20/564155820.db2.gz PGCMXLWKZYGYIL-LLVKDONJSA-N 0 0 348.233 4.154 50 30 EIEARN N#Cc1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000003221362 564156213 /nfs/dbraw/zinc/15/62/13/564156213.db2.gz XPTMUZXUNGEESQ-UHFFFAOYSA-N 0 0 328.371 4.243 50 30 EIEARN C[C@@H](C#N)Sc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000003506390 564158564 /nfs/dbraw/zinc/15/85/64/564158564.db2.gz UHJMEKWBYBGSDE-LBPRGKRZSA-N 0 0 332.498 4.440 50 30 EIEARN C[C@H](C#N)Sc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000003506392 564158575 /nfs/dbraw/zinc/15/85/75/564158575.db2.gz UHJMEKWBYBGSDE-GFCCVEGCSA-N 0 0 332.498 4.440 50 30 EIEARN Cc1ncc(CSc2nc(C)cc(C(F)(F)F)c2C#N)s1 ZINC000058380323 564158901 /nfs/dbraw/zinc/15/89/01/564158901.db2.gz SPLDLQKKODRQPL-UHFFFAOYSA-N 0 0 329.372 4.338 50 30 EIEARN FC(F)(F)c1nc(N=NCc2ccccc2)nc2c1CCCCC2 ZINC000004184939 564161070 /nfs/dbraw/zinc/16/10/70/564161070.db2.gz CPRJNWQZYIDGSP-SRZZPIQSSA-N 0 0 334.345 4.210 50 30 EIEARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1cccc(C#N)c1 ZINC000008390571 564164901 /nfs/dbraw/zinc/16/49/01/564164901.db2.gz OKYHQNHJTVJRRA-UHFFFAOYSA-N 0 0 345.406 4.014 50 30 EIEARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C#N)cc2)cc1 ZINC000008391354 564164973 /nfs/dbraw/zinc/16/49/73/564164973.db2.gz SNPUEWUIPQTXOC-FQEVSTJZSA-N 0 0 334.419 4.324 50 30 EIEARN COc1ccc(NC(=S)NCc2ccc3c(cc(C)n3C)c2)cc1 ZINC000008685192 564166326 /nfs/dbraw/zinc/16/63/26/564166326.db2.gz VRNMCPJOZPEVJD-UHFFFAOYSA-N 0 0 339.464 4.393 50 30 aggregator EIEARN C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2c(C)noc2C)c1 ZINC000069625335 564171011 /nfs/dbraw/zinc/17/10/11/564171011.db2.gz GDUJFPUXSPRQPB-UHFFFAOYSA-N 0 0 348.402 4.032 50 30 EIEARN COCCN(CC(C)C)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000069813357 564172309 /nfs/dbraw/zinc/17/23/09/564172309.db2.gz QJKLHCKNNPHBPL-OAHLLOKOSA-N 0 0 349.500 4.075 50 30 EIEARN Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1F ZINC000041557880 564174068 /nfs/dbraw/zinc/17/40/68/564174068.db2.gz XBJFGALKPRPLQF-LBPRGKRZSA-N 0 0 343.308 4.369 50 30 EIEARN O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1ncoc1C1CC1 ZINC000329005792 1022333167 /nfs/dbraw/zinc/33/31/67/1022333167.db2.gz YTCRXHYSCFGOSN-ZDUSSCGKSA-N 0 0 332.787 4.424 50 30 EIEARN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCCc2sccc21 ZINC000329322958 1022850349 /nfs/dbraw/zinc/85/03/49/1022850349.db2.gz HHEVAUIODGETBK-FABXCBLPSA-N 0 0 328.437 4.151 50 30 EIEARN COc1cc(/C=C\C(=O)c2c(C)[nH]c3ccccc32)ccc1OCC#N ZINC000098006865 1023191245 /nfs/dbraw/zinc/19/12/45/1023191245.db2.gz VYTILYBPNJXWQQ-CLFYSBASSA-N 0 0 346.386 4.283 50 30 EIEARN N#CCc1cccc2c1CCN(C(=O)Nc1ccc(F)c(C3CC3)c1)C2 ZINC000888100259 1026024003 /nfs/dbraw/zinc/02/40/03/1026024003.db2.gz BFPSQOMBDVBPRT-UHFFFAOYSA-N 0 0 349.409 4.359 50 30 EIEARN C=CCOC(=O)c1ccccc1C(=O)Nc1cccc2ccccc21 ZINC000003127773 1030633509 /nfs/dbraw/zinc/63/35/09/1030633509.db2.gz XQYYPMBTSRMUPH-UHFFFAOYSA-N 0 0 331.371 4.435 50 30 EIEARN CC(=CC(=O)c1ccccc1)C(=O)c1ccc(Br)cc1 ZINC000101063772 1031165579 /nfs/dbraw/zinc/16/55/79/1031165579.db2.gz XTHWSLFGDPYUEY-VAWYXSNFSA-N 0 0 329.193 4.461 50 30 EIEARN Cc1nc(-c2ccccc2)c(C(=O)Nc2nnc(C3CC3)s2)s1 ZINC000029474048 1035557504 /nfs/dbraw/zinc/55/75/04/1035557504.db2.gz OUFKNDJZFJRSIE-UHFFFAOYSA-N 0 0 342.449 4.484 50 30 EIEARN COc1cc(/C=C(/Cl)c2nc3ccccc3[nH]2)ccc1OCC#N ZINC000169944570 1036410072 /nfs/dbraw/zinc/41/00/72/1036410072.db2.gz YLCQWBDULDERQS-JLHYYAGUSA-N 0 0 339.782 4.211 50 30 EIEARN CN(C)N=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000254348442 1037576648 /nfs/dbraw/zinc/57/66/48/1037576648.db2.gz VCBVEFOKSXIXRL-UHFFFAOYSA-N 0 0 330.391 4.181 50 30 EIEARN COc1ccc2cc(/C=C\C(=O)c3ccc(O)c(OC)c3)ccc2c1 ZINC000096792772 1039380039 /nfs/dbraw/zinc/38/00/39/1039380039.db2.gz LPZZMIPSVZJXNK-WTKPLQERSA-N 0 0 334.371 4.459 50 30 EIEARN Cc1cc(N=C/C=C2/N(C)c3ccccc3C2(C)C)n(CCC#N)n1 ZINC000252512818 1041559136 /nfs/dbraw/zinc/55/91/36/1041559136.db2.gz VYMXUSXHSAITGG-IVCCSPJZSA-N 0 0 333.439 4.119 50 30 EIEARN O=C1c2ccccc2CC/C1=C/c1ccc(O)c(Br)c1 ZINC000096766586 1041611255 /nfs/dbraw/zinc/61/12/55/1041611255.db2.gz OHPWSFMDDIKMFX-LCYFTJDESA-N 0 0 329.193 4.367 50 30 EIEARN Cc1ccccc1[C@@H](NC(=O)N1CCC(C#N)CC1)c1cccs1 ZINC000826697625 1044802064 /nfs/dbraw/zinc/80/20/64/1044802064.db2.gz YPZBNVLWOHVKDL-GOSISDBHSA-N 0 0 339.464 4.091 50 30 EIEARN CN(CCCOc1ccccc1Cl)C(=O)Nc1cccc(C#N)c1 ZINC000826791827 1044804604 /nfs/dbraw/zinc/80/46/04/1044804604.db2.gz PJBYOTCPYMCMLF-UHFFFAOYSA-N 0 0 343.814 4.144 50 30 EIEARN Cc1ccc(-c2nc(-c3ccc(C#N)cc3)cc(C(C)(C)C)n2)nn1 ZINC000826782635 1044804692 /nfs/dbraw/zinc/80/46/92/1044804692.db2.gz KAYFDGRIIDTPAJ-UHFFFAOYSA-N 0 0 329.407 4.078 50 30 EIEARN COc1ccc2c(c1)CC/C(=C\c1c(Cl)nc3ccccn13)C2=O ZINC000032812086 1045999322 /nfs/dbraw/zinc/99/93/22/1045999322.db2.gz ZXYRHLWEHDBVHG-ACCUITESSA-N 0 0 338.794 4.209 50 30 EIEARN O=C(/C=C\c1cc(Br)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000033474177 1047340860 /nfs/dbraw/zinc/34/08/60/1047340860.db2.gz DBLQEWFUSFLJSB-WAYWQWQTSA-N 0 0 338.182 4.315 50 30 EIEARN C#CCCC1(CCC(=O)NCC2(c3ccc(C)c(C)c3)CCC2)N=N1 ZINC000952880481 1049681078 /nfs/dbraw/zinc/68/10/78/1049681078.db2.gz GLIXFMPQBPUMET-UHFFFAOYSA-N 0 0 337.467 4.197 50 30 EIEARN C#CCCC1(CCC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)N=N1 ZINC000952882660 1049681893 /nfs/dbraw/zinc/68/18/93/1049681893.db2.gz WRTRRZYYDLERED-KRWDZBQOSA-N 0 0 329.831 4.263 50 30 EIEARN C#CCCC1(CCC(=O)N2CCc3ccc(Cl)cc3[C@@H](C)C2)N=N1 ZINC000952880872 1049681991 /nfs/dbraw/zinc/68/19/91/1049681991.db2.gz MKLPVYQGKFYEQZ-AWEZNQCLSA-N 0 0 343.858 4.184 50 30 EIEARN CC(=O)Nc1ccc(/C=C2/C(=O)c3c(c(Cl)ccc3O)[C@H]2C)cc1 ZINC000101497893 1053977984 /nfs/dbraw/zinc/97/79/84/1053977984.db2.gz AAZZUZYAKGYKGH-RSYJBZMQSA-N 0 0 341.794 4.387 50 30 EIEARN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1 ZINC000004741856 210266036 /nfs/dbraw/zinc/26/60/36/210266036.db2.gz CIPUOOUFFCFUAQ-IBGZPJMESA-N 0 0 345.402 4.054 50 30 EIEARN N#Cc1c2c(sc1NC(=O)CSc1nccs1)CCCCC2 ZINC000054885938 214259008 /nfs/dbraw/zinc/25/90/08/214259008.db2.gz TYALQLXZPJXJRX-UHFFFAOYSA-N 0 0 349.506 4.076 50 30 EIEARN C=CCc1cc(CN2CCCC[C@H]2c2nc(C)no2)ccc1OCC ZINC000055053866 214267680 /nfs/dbraw/zinc/26/76/80/214267680.db2.gz LWLVSSNIGSPNSG-SFHVURJKSA-N 0 0 341.455 4.232 50 30 EIEARN C=CCn1cc(CN(Cc2ccco2)Cc2cccs2)c(C)n1 ZINC000055342618 214310470 /nfs/dbraw/zinc/31/04/70/214310470.db2.gz VBRZXEGXYMVHEK-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/09/94/39/219099439.db2.gz ZLCGMHFAURPKSR-UHFFFAOYSA-N 0 0 330.497 4.315 50 30 EIEARN CC1=NOC(=O)/C1=C/c1ccccc1OCc1ccccc1Cl ZINC000100815530 219107778 /nfs/dbraw/zinc/10/77/78/219107778.db2.gz IGTGWLMWHIPIRH-XNTDXEJSSA-N 0 0 327.767 4.235 50 30 EIEARN C=CCN1C[C@@H](c2nc3ccccc3n2[C@H](C)c2ccccc2)CC1=O ZINC000004385979 210184854 /nfs/dbraw/zinc/18/48/54/210184854.db2.gz PDRSNNPCDJAQDP-AEFFLSMTSA-N 0 0 345.446 4.148 50 30 EIEARN Cc1ccc(O)c(C(=O)/C=C/c2cc(Br)ccc2O)c1 ZINC000004393129 210187058 /nfs/dbraw/zinc/18/70/58/210187058.db2.gz GGKAFLBCINZISW-ZZXKWVIFSA-N 0 0 333.181 4.065 50 30 EIEARN O/N=C/c1c(Sc2cccc(C(F)(F)F)c2)nc2sccn12 ZINC000100923052 219111640 /nfs/dbraw/zinc/11/16/40/219111640.db2.gz ZUTXARPSTYPXJO-REZTVBANSA-N 0 0 343.355 4.374 50 30 EIEARN NC(=NOCc1ccc(Cl)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000004390203 210185833 /nfs/dbraw/zinc/18/58/33/210185833.db2.gz KMVDHFUSEVWIQY-UHFFFAOYSA-N 0 0 344.629 4.066 50 30 EIEARN CC(=CC(=O)c1ccc(C)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000101087286 219116214 /nfs/dbraw/zinc/11/62/14/219116214.db2.gz UQYUFXJCMFPUOY-BMRADRMJSA-N 0 0 336.435 4.030 50 30 EIEARN Cc1cc(/C=N/CCCO)c(C)n1-c1cc(Cl)ccc1Cl ZINC000101272952 219120637 /nfs/dbraw/zinc/12/06/37/219120637.db2.gz LPSMAXIPLZWUQQ-VXLYETTFSA-N 0 0 325.239 4.202 50 30 EIEARN CC1(C)CC(=O)C(C(=O)c2ccccc2)=C(NCc2ccccc2)C1 ZINC000101356612 219123819 /nfs/dbraw/zinc/12/38/19/219123819.db2.gz WNSXLUPRTCIGEB-UHFFFAOYSA-N 0 0 333.431 4.302 50 30 EIEARN CN(C)/C=N/c1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000004323346 210170187 /nfs/dbraw/zinc/17/01/87/210170187.db2.gz FSKKVNXTGLHKOL-VIZOYTHASA-N 0 0 347.296 4.359 50 30 EIEARN Cc1cc(SC[C@@H]2CCCCO2)n2c3ccccc3nc2c1C#N ZINC000004269419 210157193 /nfs/dbraw/zinc/15/71/93/210157193.db2.gz YMLFRYNBHJIRLQ-AWEZNQCLSA-N 0 0 337.448 4.329 50 30 EIEARN Cc1cc2nc(NC(=N)NC(=O)Cc3ccccc3)nc(C)c2cc1C ZINC000004187605 210142393 /nfs/dbraw/zinc/14/23/93/210142393.db2.gz ISLLIIIRVVETPQ-UHFFFAOYSA-N 0 0 347.422 4.101 50 30 EIEARN N#Cc1cnn2c1nc(C13CC4CC(CC(C4)C1)C3)cc2C(F)(F)F ZINC000004178562 210139717 /nfs/dbraw/zinc/13/97/17/210139717.db2.gz QESOYBIOSOWROG-UHFFFAOYSA-N 0 0 346.356 4.088 50 30 EIEARN CCOc1cccc2cc(C(=O)/C=C/c3ccc(C)cc3)c(=O)oc21 ZINC000003911126 210093058 /nfs/dbraw/zinc/09/30/58/210093058.db2.gz AMOQKODGYFUOIT-VAWYXSNFSA-N 0 0 334.371 4.396 50 30 EIEARN Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)no1 ZINC000003908633 210091800 /nfs/dbraw/zinc/09/18/00/210091800.db2.gz LKSJZZSXJLKEIT-LLVKDONJSA-N 0 0 343.452 4.320 50 30 EIEARN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000003445115 210041879 /nfs/dbraw/zinc/04/18/79/210041879.db2.gz INIVLNJNULARFM-JTQLQIEISA-N 0 0 335.190 4.271 50 30 EIEARN O=C(COc1ncnc2ccccc21)Nc1ccc2ccccc2c1 ZINC000003277525 209995424 /nfs/dbraw/zinc/99/54/24/209995424.db2.gz JRQHQTLHZKVESC-UHFFFAOYSA-N 0 0 329.359 4.450 50 30 EIEARN CCCCC(=O)C1=C(Nc2cccc([N+](=O)[O-])c2)CC(C)(C)CC1=O ZINC000102932674 219242882 /nfs/dbraw/zinc/24/28/82/219242882.db2.gz CXYIMQNUTBCKQY-UHFFFAOYSA-N 0 0 344.411 4.409 50 30 EIEARN COc1ccc(-c2nc(COc3cccc(C#N)c3)c(C)o2)c(F)c1 ZINC000067871500 215236598 /nfs/dbraw/zinc/23/65/98/215236598.db2.gz KHYUZPOAPWZUMB-UHFFFAOYSA-N 0 0 338.338 4.248 50 30 EIEARN Cc1ccc(Oc2ncccc2CNc2nc(C)cc(C)c2C#N)cn1 ZINC000067935058 215253153 /nfs/dbraw/zinc/25/31/53/215253153.db2.gz HNPLZBNSIUTHOM-UHFFFAOYSA-N 0 0 345.406 4.073 50 30 EIEARN CCc1sc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1C ZINC000103504484 219309068 /nfs/dbraw/zinc/30/90/68/219309068.db2.gz OVUIZVQTODAVLN-NSHDSACASA-N 0 0 346.839 4.234 50 30 EIEARN CCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000002590931 209871963 /nfs/dbraw/zinc/87/19/63/209871963.db2.gz QIBOSPKPXDSVKO-UHFFFAOYSA-N 0 0 326.421 4.150 50 30 EIEARN S=C1N=NC(c2ccccc2)N1N=CC(Cl)=Cc1ccccc1 ZINC000002339054 209840809 /nfs/dbraw/zinc/84/08/09/209840809.db2.gz BIEJAKWDCJWBGS-CTGWRUSHSA-N 0 0 340.839 4.348 50 30 EIEARN CCCCCCCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000002061806 209816206 /nfs/dbraw/zinc/81/62/06/209816206.db2.gz OWJLJGAIRLWMRT-UHFFFAOYSA-N 0 0 343.471 4.174 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccccc1C ZINC000069374916 215392395 /nfs/dbraw/zinc/39/23/95/215392395.db2.gz ISCUIQDCCXSTCF-PKOBYXMFSA-N 0 0 340.444 4.376 50 30 EIEARN C=C(C)COc1cc(OCC(=C)C)c2c3c(c(=O)oc2c1)CCC3 ZINC000001806909 209795339 /nfs/dbraw/zinc/79/53/39/209795339.db2.gz GECQKIZQZOPCHX-UHFFFAOYSA-N 0 0 326.392 4.192 50 30 biogenic EIEARN COC(=O)c1sc2ncc(C(=O)/C=C/c3cccs3)cc2c1C ZINC000040081996 213259588 /nfs/dbraw/zinc/25/95/88/213259588.db2.gz DXIWNRZMVKZNGJ-AATRIKPKSA-N 0 0 343.429 4.349 50 30 EIEARN N#C[C@@H](c1ccc(Br)cc1)N1CCC(c2ccccc2)=N1 ZINC000001441936 209750980 /nfs/dbraw/zinc/75/09/80/209750980.db2.gz NYLITHJIOLXLBE-KRWDZBQOSA-N 0 0 340.224 4.124 50 30 EIEARN C=CCN1C(=O)S/C(=C\c2cccn2-c2ccc(Cl)cc2)C1=O ZINC000001015270 209700594 /nfs/dbraw/zinc/70/05/94/209700594.db2.gz AHIXMDIYPQNTQL-PTNGSMBKSA-N 0 0 344.823 4.353 50 30 EIEARN COc1cccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 ZINC000000572646 209670126 /nfs/dbraw/zinc/67/01/26/209670126.db2.gz BUHSTTPNLBFRQS-UHFFFAOYSA-N 0 0 326.421 4.150 50 30 EIEARN CC(C)(O)C#C[C@](O)(c1ccc(Cl)cc1)c1ccccc1Cl ZINC000000466554 209618808 /nfs/dbraw/zinc/61/88/08/209618808.db2.gz UBJFVIXHVRQNTI-SFHVURJKSA-N 0 0 335.230 4.004 50 30 EIEARN N#Cc1ccc([C@@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)cc1 ZINC000036359930 213089420 /nfs/dbraw/zinc/08/94/20/213089420.db2.gz LJWJHMYYDQONBJ-AWEZNQCLSA-N 0 0 338.436 4.129 50 30 EIEARN Cc1ccc(CNc2oc(-c3ccccc3[N+](=O)[O-])nc2C#N)cc1 ZINC000035672447 213044807 /nfs/dbraw/zinc/04/48/07/213044807.db2.gz QJSOKNWNIRBSSH-UHFFFAOYSA-N 0 0 334.335 4.042 50 30 EIEARN Cc1cc(F)ccc1[C@@H]1CC(=O)C=CN1C(=O)OCc1ccccc1 ZINC000071790069 215826660 /nfs/dbraw/zinc/82/66/60/215826660.db2.gz DVPKLKJJGNAJRX-IBGZPJMESA-N 0 0 339.366 4.301 50 30 EIEARN Cc1ccccc1OCc1nc(C#N)c(NCCc2cccs2)o1 ZINC000032624533 212820328 /nfs/dbraw/zinc/82/03/28/212820328.db2.gz WVGYCSBRHCBELD-UHFFFAOYSA-N 0 0 339.420 4.150 50 30 EIEARN N#Cc1ccccc1CN1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072166589 216056205 /nfs/dbraw/zinc/05/62/05/216056205.db2.gz XKYBQAYYCSLYRF-IBGZPJMESA-N 0 0 334.398 4.301 50 30 EIEARN CCCC(=O)C1=C(N2CCCC2)C[C@H](C[C@@H](C)SCC)CC1=O ZINC000000287486 209519268 /nfs/dbraw/zinc/51/92/68/209519268.db2.gz MDCRZNOMFMQRMO-CABCVRRESA-N 0 0 337.529 4.216 50 30 EIEARN CSc1nc(C2CC2)cc(C(=O)Nc2cc(C)ccc2C)c1C#N ZINC000072291405 216126445 /nfs/dbraw/zinc/12/64/45/216126445.db2.gz VAPNHKYRLCFGKD-UHFFFAOYSA-N 0 0 337.448 4.422 50 30 EIEARN CC(C)c1csc([C@H]2CCCN(C(=O)C3(C#N)CCCC3)C2)n1 ZINC000072297222 216134667 /nfs/dbraw/zinc/13/46/67/216134667.db2.gz SNIIIAJEOXGDGH-AWEZNQCLSA-N 0 0 331.485 4.056 50 30 EIEARN CCc1sc(NC(=O)CC#N)nc1-c1ccc2c(c1)CCCC2 ZINC000072333517 216156096 /nfs/dbraw/zinc/15/60/96/216156096.db2.gz GXEMTZYWWXSZTB-UHFFFAOYSA-N 0 0 325.437 4.103 50 30 EIEARN CC(=O)n1c(-c2ccc(C)cc2)cc(-c2ccc(C)cc2)c(C#N)c1=O ZINC000000068940 209399906 /nfs/dbraw/zinc/39/99/06/209399906.db2.gz KKFFUXAJXADWSV-UHFFFAOYSA-N 0 0 342.398 4.331 50 30 EIEARN O=C1CCCC2=C1[C@H](c1ccccn1)c1c(ccc3ncccc31)N2 ZINC000000054408 209391744 /nfs/dbraw/zinc/39/17/44/209391744.db2.gz FXRXACSTZZSUAJ-OAQYLSRUSA-N 0 0 327.387 4.194 50 30 EIEARN N#CCOc1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000023150696 212355440 /nfs/dbraw/zinc/35/54/40/212355440.db2.gz HNQKLFJRACRBGZ-UHFFFAOYSA-N 0 0 335.190 4.077 50 30 EIEARN N#C[C@@H]1CCC[C@@H](Nc2ccc(Cc3nnc4n3CCCCC4)cc2)C1 ZINC000193294284 240095464 /nfs/dbraw/zinc/09/54/64/240095464.db2.gz HDLXAUZJGRIGNZ-IEBWSBKVSA-N 0 0 349.482 4.090 50 30 EIEARN C=CCCC(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC ZINC000022353273 212293317 /nfs/dbraw/zinc/29/33/17/212293317.db2.gz HRPJEMGLLPKTIU-UHFFFAOYSA-N 0 0 329.421 4.497 50 30 EIEARN CC(C)=C1Oc2c(ccc3c2[C@H](c2ccccc2F)CC(=O)O3)C1=O ZINC000218247665 241308630 /nfs/dbraw/zinc/30/86/30/241308630.db2.gz CMZHVZUSXKUYEQ-ZDUSSCGKSA-N 0 0 338.334 4.136 50 30 EIEARN CCOC(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C ZINC000022011862 212269374 /nfs/dbraw/zinc/26/93/74/212269374.db2.gz OGAZOYHQFBSRMC-UHFFFAOYSA-N 0 0 344.436 4.202 50 30 in-vitro EIEARN O=C1C=C(Nc2ccc(Cc3ccncc3)cc2)C(=O)c2ccccc21 ZINC000226761066 242114172 /nfs/dbraw/zinc/11/41/72/242114172.db2.gz RBJFEOSJGBNMEH-UHFFFAOYSA-N 0 0 340.382 4.047 50 30 EIEARN Cc1nc(N(C)Cc2ccccc2)c(C#N)c2c1CSC(C)(C)C2 ZINC000020813877 212174104 /nfs/dbraw/zinc/17/41/04/212174104.db2.gz WASIJCNKEFXERE-UHFFFAOYSA-N 0 0 337.492 4.466 50 30 EIEARN Cc1nn(-c2ccc(C)cc2)c2nc(N)c(C#N)c(-c3cccs3)c12 ZINC000020403682 212125937 /nfs/dbraw/zinc/12/59/37/212125937.db2.gz PXJQOVXFOOJUGE-UHFFFAOYSA-N 0 0 345.431 4.220 50 30 EIEARN Cc1ccc(C)c(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)c1 ZINC000020060306 212098545 /nfs/dbraw/zinc/09/85/45/212098545.db2.gz CEEIKPWFNBYQHP-UHFFFAOYSA-N 0 0 346.430 4.102 50 30 EIEARN N#Cc1c(N)nc2c(c1-c1ccc(OC(F)(F)F)cc1)CCCCC2 ZINC000019857673 212076434 /nfs/dbraw/zinc/07/64/34/212076434.db2.gz LSFZBTZDYQZHLK-UHFFFAOYSA-N 0 0 347.340 4.370 50 30 EIEARN O=C1CCCC2=C1[C@H](c1ccc(F)cc1)c1cc3c(cc1N2)OCO3 ZINC000018196724 211988420 /nfs/dbraw/zinc/98/84/20/211988420.db2.gz JNYFNEOJMFBJRO-LJQANCHMSA-N 0 0 337.350 4.119 50 30 EIEARN O=[N+]([O-])c1ccc(NC(=S)NCCc2ccc(Cl)cc2)cc1 ZINC000013483161 211566286 /nfs/dbraw/zinc/56/62/86/211566286.db2.gz VHWMYOVHNKVDMK-UHFFFAOYSA-N 0 0 335.816 4.189 50 30 EIEARN C=CCN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S ZINC000013476729 211564710 /nfs/dbraw/zinc/56/47/10/211564710.db2.gz XIXKLPNZFDQOPS-DHZHZOJOSA-N 0 0 329.368 4.093 50 30 EIEARN Cc1cc(C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C#N)no1 ZINC000013327727 211546209 /nfs/dbraw/zinc/54/62/09/211546209.db2.gz ODPBXCTVJBGICN-UHFFFAOYSA-N 0 0 337.404 4.452 50 30 EIEARN Cc1sc2nc(SCc3ccc(C#N)cc3)nc(N)c2c1C ZINC000012539048 211402227 /nfs/dbraw/zinc/40/22/27/211402227.db2.gz UQTQIBARAYNMDN-UHFFFAOYSA-N 0 0 326.450 4.054 50 30 EIEARN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000012603764 211422091 /nfs/dbraw/zinc/42/20/91/211422091.db2.gz AMOYUDNYHSWBRD-MRXNPFEDSA-N 0 0 331.419 4.361 50 30 EIEARN CCN1C(=O)N[C@H](c2ccccc2)C(C(=O)C=Cc2ccccc2)=C1C ZINC000012389453 211366797 /nfs/dbraw/zinc/36/67/97/211366797.db2.gz DVMVJQUMNLMBLV-IBUXMESJSA-N 0 0 346.430 4.329 50 30 EIEARN CC(C)(C)[C@H]1CC/C(=N/OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C#N)C1 ZINC000011916329 211267771 /nfs/dbraw/zinc/26/77/71/211267771.db2.gz UMNUGGQOIYNLFJ-YCVOCTCCSA-N 0 0 343.383 4.094 50 30 EIEARN Cc1nc(SCCOc2ccc(C#N)cc2)[nH]c1Cc1ccccc1 ZINC000009946772 211135208 /nfs/dbraw/zinc/13/52/08/211135208.db2.gz GJZVTMRNAFVTTF-UHFFFAOYSA-N 0 0 349.459 4.352 50 30 EIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccccc1Cl ZINC000009377748 211078180 /nfs/dbraw/zinc/07/81/80/211078180.db2.gz JGLKSAXXYRHLNG-UHFFFAOYSA-N 0 0 325.755 4.156 50 30 EIEARN CC(=O)N1c2ccccc2N=C2C[C@@H](C)CC(=O)C2[C@@H]1c1ccccc1 ZINC000009320829 211067574 /nfs/dbraw/zinc/06/75/74/211067574.db2.gz FQLMAIUTXHMSQM-PEBXRYMYSA-N 0 0 346.430 4.459 50 30 EIEARN COc1ccc([C@@H](Nc2ncccc2C#N)c2ccc(C)cc2)cc1 ZINC000095369572 218303199 /nfs/dbraw/zinc/30/31/99/218303199.db2.gz ZRUNJKXNSJFDSA-FQEVSTJZSA-N 0 0 329.403 4.472 50 30 EIEARN Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N3CCCC3)o2)o1 ZINC000008844548 211011264 /nfs/dbraw/zinc/01/12/64/211011264.db2.gz JVWGHHLGFHBZPA-UHFFFAOYSA-N 0 0 349.390 4.294 50 30 EIEARN COc1cc(C#N)ccc1O[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000008719843 210991332 /nfs/dbraw/zinc/99/13/32/210991332.db2.gz XIGXQDMVKGDFJX-NSHDSACASA-N 0 0 343.333 4.452 50 30 EIEARN CCc1c(C)sc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1C#N ZINC000095415110 218353170 /nfs/dbraw/zinc/35/31/70/218353170.db2.gz WQCUBABLEHFRMC-UHFFFAOYSA-N 0 0 347.371 4.099 50 30 EIEARN N#Cc1csc(CNc2ccc3c(c2)CCN3C(=O)c2ccoc2)c1 ZINC000095428941 218371964 /nfs/dbraw/zinc/37/19/64/218371964.db2.gz ZZOUZDDAKCUFQL-UHFFFAOYSA-N 0 0 349.415 4.028 50 30 EIEARN COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C#N)cc2)cc1 ZINC000008391356 210945993 /nfs/dbraw/zinc/94/59/93/210945993.db2.gz SNPUEWUIPQTXOC-HXUWFJFHSA-N 0 0 334.419 4.324 50 30 EIEARN N#CCc1ccc(NC(=O)COc2c(Cl)cccc2Cl)cc1 ZINC000007835047 210853557 /nfs/dbraw/zinc/85/35/57/210853557.db2.gz UDJMCXBPRMUVDP-UHFFFAOYSA-N 0 0 335.190 4.077 50 30 EIEARN CCN(CC)c1ccc2nc3c4ccccc4c(=O)c(C#N)c-3oc2c1 ZINC000096029562 218516453 /nfs/dbraw/zinc/51/64/53/218516453.db2.gz DOIVGWIGBQTTHP-UHFFFAOYSA-N 0 0 343.386 4.164 50 30 EIEARN CSc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)CCC3)cc1 ZINC000006936968 210746326 /nfs/dbraw/zinc/74/63/26/210746326.db2.gz IJQGLEWCGIWINC-INIZCTEOSA-N 0 0 326.421 4.269 50 30 EIEARN C[C@@H]1CCC[C@@H](Nc2c(-c3cccs3)nc3c(C#N)c[nH]n32)[C@@H]1C ZINC000006768770 210706784 /nfs/dbraw/zinc/70/67/84/210706784.db2.gz RMGQXJJBXSYZCU-YRGRVCCFSA-N 0 0 339.468 4.499 50 30 EIEARN Cc1ccccc1C=NN1C(=S)N=NC1c1ccccc1Cl ZINC000005981882 210572425 /nfs/dbraw/zinc/57/24/25/210572425.db2.gz TZHUZRSSLOATDH-VCHYOVAHSA-N 0 0 328.828 4.078 50 30 EIEARN COc1ccc(C(=O)/C=C\c2cccc(Br)c2)cc1F ZINC000096861770 218895021 /nfs/dbraw/zinc/89/50/21/218895021.db2.gz RNNIVEABVJSAOJ-ALCCZGGFSA-N 0 0 335.172 4.493 50 30 EIEARN Cc1sc(NC(=O)c2ccc(Br)cc2)c(C#N)c1C ZINC000005144831 210399772 /nfs/dbraw/zinc/39/97/72/210399772.db2.gz NPJJMXYZGHJWFP-UHFFFAOYSA-N 0 0 335.226 4.251 50 30 EIEARN O=C(/C=C/c1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1 ZINC000005128232 210395943 /nfs/dbraw/zinc/39/59/43/210395943.db2.gz YIFSQLQSEPJVBE-FNORWQNLSA-N 0 0 338.182 4.315 50 30 EIEARN N#Cc1cccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)c1 ZINC000005050857 210375674 /nfs/dbraw/zinc/37/56/74/210375674.db2.gz WXGRUWVZUWBHPB-UHFFFAOYSA-N 0 0 332.384 4.431 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(C=Cc2ccco2)C[C@@H]1c1ccccc1 ZINC000005067596 210382193 /nfs/dbraw/zinc/38/21/93/210382193.db2.gz NNXQOKQHXMPRDJ-ZDPBIUCKSA-N 0 0 336.387 4.155 50 30 biogenic EIEARN C=C(C)[C@@H]1CC=C(CN2CCN(c3ccc(C(C)=O)cc3)CC2)CC1 ZINC000004980629 210348220 /nfs/dbraw/zinc/34/82/20/210348220.db2.gz RTQLAEOHRBJJQB-HXUWFJFHSA-N 0 0 338.495 4.314 50 30 EIEARN O=C(C=CNc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000004981683 210347884 /nfs/dbraw/zinc/34/78/84/210347884.db2.gz HISOOIPMPTYDFA-CMDGGOBGSA-N 0 0 347.168 4.166 50 30 EIEARN Cc1cc(N=NC(C)c2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2)n1 ZINC000004947397 210335614 /nfs/dbraw/zinc/33/56/14/210335614.db2.gz PZZFWLQOHWRKEB-HYARGMPZSA-N 0 0 347.378 4.196 50 30 EIEARN CC[C@@H](C)Oc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004916445 210322650 /nfs/dbraw/zinc/32/26/50/210322650.db2.gz QNUNGVJWXXIRMO-CZUORRHYSA-N 0 0 341.451 4.111 50 30 EIEARN N=C(NOC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000004898081 210316709 /nfs/dbraw/zinc/31/67/09/210316709.db2.gz ONMJCLPUHLOIPE-UHFFFAOYSA-N 0 0 343.597 4.124 50 30 aggregator EIEARN Cc1cc(OCC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1Cl ZINC000004846665 210299393 /nfs/dbraw/zinc/29/93/93/210299393.db2.gz BXMGAAMHVVYSPA-UHFFFAOYSA-N 0 0 335.190 4.191 50 30 EIEARN C=CCOc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000004842125 210296658 /nfs/dbraw/zinc/29/66/58/210296658.db2.gz MMRAHMXRQJGUOM-UHFFFAOYSA-N 0 0 331.799 4.474 50 30 EIEARN COc1ccc(C(=O)/C=C/c2ccc(OC(F)F)cc2)cc1OC ZINC000004834074 210292109 /nfs/dbraw/zinc/29/21/09/210292109.db2.gz HHHJBFCCIJRULA-WEVVVXLNSA-N 0 0 334.318 4.201 50 30 EIEARN N#Cc1cc(N[C@@H]2CCO[C@@]3(CCSC3)C2)ccc1C(F)(F)F ZINC000097379217 219020025 /nfs/dbraw/zinc/02/00/25/219020025.db2.gz IDJXJQLNETULEQ-HIFRSBDPSA-N 0 0 342.386 4.044 50 30 EIEARN CC1(C)[C@H]2CC[C@]1(C)CC2N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004748759 210268771 /nfs/dbraw/zinc/26/87/71/210268771.db2.gz BSYMUVFXIGDNNZ-KRQNKWHASA-N 0 0 332.360 4.117 50 30 EIEARN Cc1ccc(O)c(CN=Nc2ncnc3sc4c(c32)CCCC4)c1 ZINC000004756457 210271681 /nfs/dbraw/zinc/27/16/81/210271681.db2.gz ZGOKFBHLWKZLCZ-ZVBGSRNCSA-N 0 0 338.436 4.030 50 30 EIEARN C=CCn1cnnc1SCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000006646714 258044756 /nfs/dbraw/zinc/04/47/56/258044756.db2.gz XQSVDCCDMBUBLR-UHFFFAOYSA-N 0 0 335.432 4.106 50 30 EIEARN O=C1c2ccc([O-])c(C[NH+]3CCCC3)c2O/C1=C\C=C\c1ccccc1 ZINC000013541663 258001890 /nfs/dbraw/zinc/00/18/90/258001890.db2.gz KSXUFCHOLUMLDG-CRVGVPJFSA-N 0 0 347.414 4.160 50 30 EIEARN CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O ZINC000009340716 258003015 /nfs/dbraw/zinc/00/30/15/258003015.db2.gz BRZMRYGTHNEATK-YVLHZVERSA-N 0 0 340.350 4.393 50 30 EIEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(C)cc1C ZINC000007759939 258017793 /nfs/dbraw/zinc/01/77/93/258017793.db2.gz GMDHCHONPUPLGL-UHFFFAOYSA-N 0 0 347.418 4.182 50 30 EIEARN C=C(C)COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC000009822783 258017908 /nfs/dbraw/zinc/01/79/08/258017908.db2.gz ZMBBPWRNYCFYRF-OAHLLOKOSA-N 0 0 341.407 4.056 50 30 EIEARN C=CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000009815713 258018209 /nfs/dbraw/zinc/01/82/09/258018209.db2.gz WSXMFKVLYXTWHO-CYBMUJFWSA-N 0 0 331.799 4.311 50 30 EIEARN N#Cc1cccc(C(=O)Oc2ccc(C3SCCS3)cc2)c1 ZINC000007279458 258052579 /nfs/dbraw/zinc/05/25/79/258052579.db2.gz QYZTWDKUVRJYDN-UHFFFAOYSA-N 0 0 327.430 4.256 50 30 EIEARN O=C(/C=C/c1ccccc1)O/N=C(\c1ccccc1)c1cccnc1 ZINC000012653777 258055116 /nfs/dbraw/zinc/05/51/16/258055116.db2.gz XQBHEAMARLUQMY-VKHGTZOXSA-N 0 0 328.371 4.091 50 30 EIEARN COC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C ZINC000253498635 258073436 /nfs/dbraw/zinc/07/34/36/258073436.db2.gz XWFWMYFLNHTEBF-ZPMOIGASSA-N 0 0 330.468 4.308 50 30 EIEARN Clc1cccc(/C=N/N2CCN(c3ccccc3)CC2)c1Cl ZINC000000136413 135645256 /nfs/dbraw/zinc/64/52/56/135645256.db2.gz OBPKBUQJOKSURI-DEDYPNTBSA-N 0 0 334.250 4.150 50 30 EIEARN CC1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3F)cc2)CC1 ZINC000000619238 135653235 /nfs/dbraw/zinc/65/32/35/135653235.db2.gz KHUCRHAGTBNYNG-UHFFFAOYSA-N 0 0 337.398 4.186 50 30 EIEARN O=C(/C=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000005693045 135672548 /nfs/dbraw/zinc/67/25/48/135672548.db2.gz NMHMRDYYJLWLDY-ZRDIBKRKSA-N 0 0 336.391 4.481 50 30 EIEARN C#Cc1cccc(N[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000012537214 518366787 /nfs/dbraw/zinc/36/67/87/518366787.db2.gz GLDCCDMRWMWTTQ-KRWDZBQOSA-N 0 0 347.462 4.097 50 30 EIEARN C=C(C)COc1cccc(NC(=O)N(C)[C@H](C)c2cccnc2)c1 ZINC000067318638 518621184 /nfs/dbraw/zinc/62/11/84/518621184.db2.gz YYUSJNNBQDRXHL-OAHLLOKOSA-N 0 0 325.412 4.261 50 30 EIEARN C=C(C)Cn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21 ZINC000004384998 518638763 /nfs/dbraw/zinc/63/87/63/518638763.db2.gz WQRRBBQYFSNJIP-UHFFFAOYSA-N 0 0 339.483 4.242 50 30 EIEARN C=CCC(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000015072986 518685514 /nfs/dbraw/zinc/68/55/14/518685514.db2.gz BXFGSDYHBMUSNF-SFHVURJKSA-N 0 0 349.430 4.476 50 30 EIEARN C=CCN(Cc1cccs1)C(=O)CSCc1ccc(C#N)cc1 ZINC000047981775 518790241 /nfs/dbraw/zinc/79/02/41/518790241.db2.gz CLTNXDDGCCAHIJ-UHFFFAOYSA-N 0 0 342.489 4.068 50 30 EIEARN C=CCNc1oc(-c2ccc(COc3ccccc3C)o2)nc1C#N ZINC000012419019 518968546 /nfs/dbraw/zinc/96/85/46/518968546.db2.gz MUYJPFNXJGIMKT-UHFFFAOYSA-N 0 0 335.363 4.292 50 30 EIEARN C=CCOc1ccc(C(=O)N(Cc2ccco2)c2ccccn2)cc1 ZINC000015669845 519024392 /nfs/dbraw/zinc/02/43/92/519024392.db2.gz HEYXEFXNLNGAOL-UHFFFAOYSA-N 0 0 334.375 4.086 50 30 EIEARN C=CCOc1cccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)c1 ZINC000002081194 519050673 /nfs/dbraw/zinc/05/06/73/519050673.db2.gz KUJITVKUMYQDRJ-ATVHPVEESA-N 0 0 339.778 4.249 50 30 EIEARN C=CCc1ccc(OC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c(OC)c1 ZINC000004799743 519134712 /nfs/dbraw/zinc/13/47/12/519134712.db2.gz DGWAVDHODUNERJ-UHFFFAOYSA-N 0 0 342.351 4.251 50 30 EIEARN CCOc1ccc(CN(C)C(=S)NCc2ccc(OC)cc2)cc1 ZINC000008694151 520955827 /nfs/dbraw/zinc/95/58/27/520955827.db2.gz JXODNTVETCVODE-UHFFFAOYSA-N 0 0 344.480 4.012 50 30 EIEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(C)cc1 ZINC000004626415 521027683 /nfs/dbraw/zinc/02/76/83/521027683.db2.gz BUTBGYOWKKIGQB-VQIMIIECSA-N 0 0 343.467 4.496 50 30 EIEARN COc1ccc(C(=O)C(C)=NOC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000381331 523536836 /nfs/dbraw/zinc/53/68/36/523536836.db2.gz JORAGINBYRHVNF-JAIQZWGSSA-N 0 0 346.770 4.156 50 30 EIEARN COc1ccc(NC(=O)O/N=C\c2ccc(Br)cc2)cc1 ZINC000004456555 524582036 /nfs/dbraw/zinc/58/20/36/524582036.db2.gz GIXHTZAJGRMGLW-YVLHZVERSA-N 0 0 349.184 4.040 50 30 EIEARN Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3cccs3)n2C)cc1 ZINC000026982069 524651377 /nfs/dbraw/zinc/65/13/77/524651377.db2.gz KSVUNMMQXQKGPU-AWEZNQCLSA-N 0 0 340.477 4.079 50 30 EIEARN Cc1ccc(C[C@@H](C#N)Sc2nnc(Cc3ccccc3)o2)cc1 ZINC000006880037 524651801 /nfs/dbraw/zinc/65/18/01/524651801.db2.gz RUKLTSSWFBXHOM-KRWDZBQOSA-N 0 0 335.432 4.196 50 30 EIEARN Cc1ccc(-c2csc(N=NCc3ccc4c(c3)OCO4)n2)cc1 ZINC000004475447 525780929 /nfs/dbraw/zinc/78/09/29/525780929.db2.gz BCOHZOWLEPHBDT-DJKKODMXSA-N 0 0 337.404 4.293 50 30 EIEARN CSc1ccc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)cc1 ZINC000011334634 525949255 /nfs/dbraw/zinc/94/92/55/525949255.db2.gz QJHXNQOHFHFGIR-JXMROGBWSA-N 0 0 339.460 4.141 50 30 EIEARN Cc1cc(/C=N/O)c(C)c(COCc2cc(C)cc(/C=N/O)c2C)c1 ZINC000000272619 526096766 /nfs/dbraw/zinc/09/67/66/526096766.db2.gz PKYOLASHJFLIPO-VGENTYGXSA-N 0 0 340.423 4.253 50 30 EIEARN C[C@H](CC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000041556523 526253367 /nfs/dbraw/zinc/25/33/67/526253367.db2.gz YTSMFGQLQYDWEA-DOMZBBRYSA-N 0 0 332.325 4.470 50 30 EIEARN CC1(C)CC(=O)C=C(SCC(=O)Nc2ccccc2Cl)S1 ZINC000000126047 563236554 /nfs/dbraw/zinc/23/65/54/563236554.db2.gz XVPBYQSZOFGLJZ-UHFFFAOYSA-N 0 0 341.885 4.338 50 30 EIEARN Cc1ccc(NC(=S)[C@@H](C#N)C(=O)Nc2ccccc2C)c(C)c1 ZINC000000143787 563243242 /nfs/dbraw/zinc/24/32/42/563243242.db2.gz ZLJSJLXVBDBDCB-HNNXBMFYSA-N 0 0 337.448 4.130 50 30 EIEARN O=[N+]([O-])c1ccccc1/C=N/N=C1c2ccccc2-c2ccccc21 ZINC000000312102 563281335 /nfs/dbraw/zinc/28/13/35/563281335.db2.gz FEEMILDFBAPGGL-FYJGNVAPSA-N 0 0 327.343 4.447 50 30 EIEARN Oc1ccccc1/C=N/[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000000378208 563299428 /nfs/dbraw/zinc/29/94/28/563299428.db2.gz VCNCKAQNALJQDO-UKKLRFBMSA-N 0 0 331.371 4.329 50 30 EIEARN CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000000386560 563303127 /nfs/dbraw/zinc/30/31/27/563303127.db2.gz XHIVIPRODQKMOV-FQEVSTJZSA-N 0 0 349.430 4.197 50 30 EIEARN COc1ccc(/N=C2/c3cccc4c3N(C2=O)C(C)(C)C[C@H]4C)cc1 ZINC000000488679 563338378 /nfs/dbraw/zinc/33/83/78/563338378.db2.gz OMBTWUORMCVDFH-LKOLJXARSA-N 0 0 334.419 4.448 50 30 biogenic EIEARN CC1(C)CC(=O)C=C(Nc2cc(C(=O)c3ccccc3)ccc2N)C1 ZINC000000497633 563338651 /nfs/dbraw/zinc/33/86/51/563338651.db2.gz OYYBTQZRTDCTKP-UHFFFAOYSA-N 0 0 334.419 4.185 50 30 EIEARN N#CCCSc1ccccc1NS(=O)(=O)/C=C\c1ccccc1 ZINC000097312393 563366345 /nfs/dbraw/zinc/36/63/45/563366345.db2.gz BDRDWJOCNVKAEP-KAMYIIQDSA-N 0 0 344.461 4.105 50 30 EIEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccco1 ZINC000001247038 563381333 /nfs/dbraw/zinc/38/13/33/563381333.db2.gz XAILHIOUPNNCFU-FRKPEAEDSA-N 0 0 339.207 4.016 50 30 EIEARN O=C(C=CNc1ccc(Br)cc1Cl)C(F)(F)F ZINC000003045598 563470270 /nfs/dbraw/zinc/47/02/70/563470270.db2.gz VWCWPGBCSNSLIO-ONEGZZNKSA-N 0 0 328.515 4.160 50 30 EIEARN CCc1nc2sc3c(c2c(N=NCc2ccco2)n1)CCCC3 ZINC000005248007 563524524 /nfs/dbraw/zinc/52/45/24/563524524.db2.gz KBGBFNMEBBJJQE-VCHYOVAHSA-N 0 0 326.425 4.172 50 30 EIEARN Cc1cccc(C[C@@H]2S/C(=N/c3ccc(Cl)cc3)NC2=O)c1 ZINC000013477826 563699595 /nfs/dbraw/zinc/69/95/95/563699595.db2.gz GEPFNCBPCOOYMU-HNNXBMFYSA-N 0 0 330.840 4.110 50 30 EIEARN CCOc1ccc(CN(C)C(=S)NCc2ccccc2)cc1OC ZINC000013684017 563710820 /nfs/dbraw/zinc/71/08/20/563710820.db2.gz DLXCPDBUZGCURK-UHFFFAOYSA-N 0 0 344.480 4.012 50 30 EIEARN COc1ccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000013819460 563725168 /nfs/dbraw/zinc/72/51/68/563725168.db2.gz NESZUUSZWXHIBH-UHFFFAOYSA-N 0 0 346.496 4.370 50 30 EIEARN COc1ccc(CN(C(=O)c2cccc(C#N)c2)[C@@H](C)C2CC2)cc1 ZINC000032753988 563727617 /nfs/dbraw/zinc/72/76/17/563727617.db2.gz HMDYGIYGTKCNRL-HNNXBMFYSA-N 0 0 334.419 4.008 50 30 EIEARN Cc1cccn2cc(CSc3nc4ccccc4n3CCC#N)nc12 ZINC000014095709 563740495 /nfs/dbraw/zinc/74/04/95/563740495.db2.gz SBHJKAYINKPRKT-UHFFFAOYSA-N 0 0 347.447 4.198 50 30 EIEARN COc1ccc([C@@H]2CCCN2Cc2cn3ccccc3c2C#N)cc1 ZINC000032871594 563769077 /nfs/dbraw/zinc/76/90/77/563769077.db2.gz WGBVMFAPNKTLRJ-FQEVSTJZSA-N 0 0 331.419 4.157 50 30 EIEARN CCOc1ccc(CN=Nc2nnc(Cl)c3ccccc32)cc1 ZINC000017146433 563838455 /nfs/dbraw/zinc/83/84/55/563838455.db2.gz AFNXPMPHQMNHBW-YBFXNURJSA-N 0 0 326.787 4.128 50 30 EIEARN c1coc(CN=Nc2nnc3c4ccccc4c4ccccc4c3n2)c1 ZINC000017201601 563840544 /nfs/dbraw/zinc/84/05/44/563840544.db2.gz KJACPKAZFHHJRK-MTJSOVHGSA-N 0 0 339.358 4.370 50 30 EIEARN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(O)cc1 ZINC000017862997 563845861 /nfs/dbraw/zinc/84/58/61/563845861.db2.gz CFYOFCKLMGVOPT-ZHACJKMWSA-N 0 0 332.197 4.353 50 30 EIEARN Cc1ccccc1-c1nc2ccccc2c(=O)n1/N=C/c1ccccc1 ZINC000002981291 563918847 /nfs/dbraw/zinc/91/88/47/563918847.db2.gz LOUGESDEMKMCBL-HZHRSRAPSA-N 0 0 339.398 4.254 50 30 EIEARN Cc1ccc(CNC(=O)[C@@H](C)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000034894782 563919935 /nfs/dbraw/zinc/91/99/35/563919935.db2.gz DQGCEQNDUWHVMR-HIFRSBDPSA-N 0 0 328.378 4.114 50 30 EIEARN CCSc1nc(-c2ccc(Cl)c(Cl)c2)c(C#N)c(N)c1C#N ZINC000096336706 563935369 /nfs/dbraw/zinc/93/53/69/563935369.db2.gz OKLMFRGNNHWNSD-UHFFFAOYSA-N 0 0 349.246 4.493 50 30 EIEARN NC(=NOC/C=C/c1ccccc1)c1ccc(Oc2ccccc2)nc1 ZINC000058155955 563937935 /nfs/dbraw/zinc/93/79/35/563937935.db2.gz JPSFPUWYUGEONJ-JXMROGBWSA-N 0 0 345.402 4.224 50 30 EIEARN N#C[C@@H](C(=O)CCOCc1ccccc1)c1ccc2ccccc2n1 ZINC000058171974 563938969 /nfs/dbraw/zinc/93/89/69/563938969.db2.gz OSWSTDJIKPERSV-GOSISDBHSA-N 0 0 330.387 4.018 50 30 EIEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@H](c3ccccc3)[C@@H]12 ZINC000095482964 563976956 /nfs/dbraw/zinc/97/69/56/563976956.db2.gz CJFWICNRVVUMQB-AZUAARDMSA-N 0 0 327.383 4.093 50 30 EIEARN Cc1cccc(NC(=O)Cc2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000014112103 563983233 /nfs/dbraw/zinc/98/32/33/563983233.db2.gz MOYILWDZNVIZEO-UHFFFAOYSA-N 0 0 333.416 4.171 50 30 EIEARN CCCN(Cc1nnc(-c2cccs2)o1)Cc1ccc(C#N)cc1 ZINC000014135466 563983274 /nfs/dbraw/zinc/98/32/74/563983274.db2.gz RZZWHSNVRAQLQS-UHFFFAOYSA-N 0 0 338.436 4.082 50 30 EIEARN Cc1ccc(-c2ncnn2-c2sc3c(c2C#N)CCCCC3)cc1 ZINC000000181014 563987837 /nfs/dbraw/zinc/98/78/37/563987837.db2.gz KTSIWVIGNSOLTH-UHFFFAOYSA-N 0 0 334.448 4.445 50 30 EIEARN Cc1ccccc1-c1ncnn1-c1sc2c(c1C#N)CCCCC2 ZINC000000181013 563987842 /nfs/dbraw/zinc/98/78/42/563987842.db2.gz UEAIXKRZTDFWQQ-UHFFFAOYSA-N 0 0 334.448 4.445 50 30 EIEARN Oc1c(F)cccc1/C=N/c1ccc2oc(-c3ccncc3)nc2c1 ZINC000000225324 563988900 /nfs/dbraw/zinc/98/89/00/563988900.db2.gz GEXMPYCZLRHHGF-SSDVNMTOSA-N 0 0 333.322 4.485 50 30 EIEARN CC(=O)C1=C(Nc2ccc(Br)cc2)CC(C)(C)CC1=O ZINC000000340903 563991352 /nfs/dbraw/zinc/99/13/52/563991352.db2.gz KRLWAKAFKIKABC-UHFFFAOYSA-N 0 0 336.229 4.093 50 30 EIEARN O=C(CN1CCS/C1=N/Cc1ccccc1)c1ccc(Cl)cc1 ZINC000100759736 563995261 /nfs/dbraw/zinc/99/52/61/563995261.db2.gz JMFWYHUSOJHZJI-CZIZESTLSA-N 0 0 344.867 4.128 50 30 EIEARN N#Cc1cc([N+](=O)[O-])ccc1N[C@@H](c1ccccc1)c1ccccn1 ZINC000024153872 563996176 /nfs/dbraw/zinc/99/61/76/563996176.db2.gz ZQTUSRXHEXOJRN-IBGZPJMESA-N 0 0 330.347 4.063 50 30 EIEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O ZINC000005164273 563996514 /nfs/dbraw/zinc/99/65/14/563996514.db2.gz HYYRSIUIBOSPCO-NVMNQCDNSA-N 0 0 337.331 4.166 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccccc1F ZINC000000428060 563998839 /nfs/dbraw/zinc/99/88/39/563998839.db2.gz ZMVMCBDAVKEEMP-KDOFPFPSSA-N 0 0 344.407 4.207 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccccc1F ZINC000000428063 563998861 /nfs/dbraw/zinc/99/88/61/563998861.db2.gz ZMVMCBDAVKEEMP-KBXCAEBGSA-N 0 0 344.407 4.207 50 30 EIEARN C[C@H](C#N)Oc1ccc([C@H]2Nc3c4ccccc4sc3C(=O)N2)cc1 ZINC000078765274 564000936 /nfs/dbraw/zinc/00/09/36/564000936.db2.gz YMLLMWITBUCZIJ-ZMZPIMSZSA-N 0 0 349.415 4.046 50 30 EIEARN CN(C(=O)COc1ccc(Cl)c(Cl)c1)C1(C#N)CCCCC1 ZINC000005215697 564001125 /nfs/dbraw/zinc/00/11/25/564001125.db2.gz DKYZMMJTYCUNOC-UHFFFAOYSA-N 0 0 341.238 4.057 50 30 EIEARN COc1ccc(CCNc2oc(/C=C/c3ccccc3)nc2C#N)cc1 ZINC000005215523 564001132 /nfs/dbraw/zinc/00/11/32/564001132.db2.gz MNXYRALOFQCOKU-FMIVXFBMSA-N 0 0 345.402 4.380 50 30 EIEARN N#Cc1ccccc1COC(=O)c1ccc(COc2ccccc2)o1 ZINC000005231206 564001389 /nfs/dbraw/zinc/00/13/89/564001389.db2.gz BMEPKSKGIWCBDV-UHFFFAOYSA-N 0 0 333.343 4.087 50 30 EIEARN C[C@@H]1CCc2sc(NC(=O)c3c(F)cccc3F)c(C#N)c2C1 ZINC000001518409 564003626 /nfs/dbraw/zinc/00/36/26/564003626.db2.gz PAMMMKKGLCUKDZ-SECBINFHSA-N 0 0 332.375 4.275 50 30 EIEARN O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006889386 564006669 /nfs/dbraw/zinc/00/66/69/564006669.db2.gz ZWSFYILGQBEDFT-SOFGYWHQSA-N 0 0 332.699 4.053 50 30 EIEARN C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(C#N)cc1 ZINC000005629274 564006750 /nfs/dbraw/zinc/00/67/50/564006750.db2.gz RQLKQVSMJFBARA-NSHDSACASA-N 0 0 339.445 4.287 50 30 EIEARN Oc1c(/C=N/c2ccccn2)cc(Br)c2ccccc12 ZINC000000499536 564018452 /nfs/dbraw/zinc/01/84/52/564018452.db2.gz NJGRZGCCZYHLST-VXLYETTFSA-N 0 0 327.181 4.454 50 30 EIEARN N#Cc1ccsc1NC(=O)COc1ccc(Cl)c2ccccc12 ZINC000005685544 564018496 /nfs/dbraw/zinc/01/84/96/564018496.db2.gz ODCRBPBCKMMJMU-UHFFFAOYSA-N 0 0 342.807 4.444 50 30 EIEARN C[C@H](Nc1oc(COc2ccc(F)cc2)nc1C#N)c1ccccc1 ZINC000000525186 564021138 /nfs/dbraw/zinc/02/11/38/564021138.db2.gz VKWJBSYPNSYWCC-ZDUSSCGKSA-N 0 0 337.354 4.437 50 30 EIEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000000533195 564021954 /nfs/dbraw/zinc/02/19/54/564021954.db2.gz QUDRLRMKBXQZIE-MRXNPFEDSA-N 0 0 331.419 4.051 50 30 EIEARN N#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1N1CCCC1 ZINC000000544122 564022644 /nfs/dbraw/zinc/02/26/44/564022644.db2.gz MIBDWWGSMYJOCZ-UHFFFAOYSA-N 0 0 345.402 4.392 50 30 EIEARN COc1ccc(NC2=C(C(=O)C(F)(F)F)CCCC2)cc1OC ZINC000022135462 564034260 /nfs/dbraw/zinc/03/42/60/564034260.db2.gz PJWSDLSNILQCTL-UHFFFAOYSA-N 0 0 329.318 4.075 50 30 EIEARN C#CCCCC(=O)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1 ZINC000085899422 564035415 /nfs/dbraw/zinc/03/54/15/564035415.db2.gz BNRVHKHCPOAEEY-UHFFFAOYSA-N 0 0 347.393 4.420 50 30 EIEARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257345588 564055800 /nfs/dbraw/zinc/05/58/00/564055800.db2.gz CBOGURZXXNBKGU-UKAAFSFWSA-N 0 0 346.511 4.117 50 30 EIEARN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3[C@H](C)CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]12C ZINC000257356533 564055951 /nfs/dbraw/zinc/05/59/51/564055951.db2.gz IVCRCPJOLWECJU-MDXNBARUSA-N 0 0 330.468 4.306 50 30 EIEARN C[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)[C@H](CCC34OCCO4)[C@@H]12 ZINC000261492012 564056157 /nfs/dbraw/zinc/05/61/57/564056157.db2.gz PFJAVULBZSJLRQ-FHIURKQSSA-N 0 0 342.479 4.283 50 30 EIEARN O=C(O/N=C(\c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000261492276 564056160 /nfs/dbraw/zinc/05/61/60/564056160.db2.gz PUABQACMPMNCSZ-XUTLUUPISA-N 0 0 346.342 4.204 50 30 EIEARN Cc1cc(=O)oc2cc(NC(=O)N(C)[C@H](C)c3ccccc3)ccc12 ZINC000082103374 564056275 /nfs/dbraw/zinc/05/62/75/564056275.db2.gz DFBZTFMMINOVOR-CQSZACIVSA-N 0 0 336.391 4.340 50 30 EIEARN N#Cc1ccc(CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000006027999 564057704 /nfs/dbraw/zinc/05/77/04/564057704.db2.gz YWTYQSNQHCJHNR-UHFFFAOYSA-N 0 0 327.390 4.368 50 30 EIEARN N#Cc1c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2n2ccccc12 ZINC000001402607 564064937 /nfs/dbraw/zinc/06/49/37/564064937.db2.gz FUXCWDATJKRDLZ-UHFFFAOYSA-N 0 0 343.342 4.451 50 30 EIEARN C=C(C)CN(CC)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000058129711 564065246 /nfs/dbraw/zinc/06/52/46/564065246.db2.gz KYCWPBRNBQOHGS-UHFFFAOYSA-N 0 0 338.411 4.098 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000001422987 564066674 /nfs/dbraw/zinc/06/66/74/564066674.db2.gz HCPONFOALFDDNU-GFCCVEGCSA-N 0 0 338.325 4.379 50 30 EIEARN CCCCNC(=S)NN=C(Cc1ccccc1)Cc1ccccc1 ZINC000006046545 564072676 /nfs/dbraw/zinc/07/26/76/564072676.db2.gz XDIQLRMRGITIBN-UHFFFAOYSA-N 0 0 339.508 4.092 50 30 EIEARN Cc1[nH]c2ccccc2c1C(=O)CSc1nc(C)cc(C)c1C#N ZINC000001465366 564073218 /nfs/dbraw/zinc/07/32/18/564073218.db2.gz VLMDOPLVMIHCRX-UHFFFAOYSA-N 0 0 335.432 4.335 50 30 EIEARN C=CCOc1ccc([C@@H]2NC(=S)N=C3c4ccccc4CCC32)cc1 ZINC000013635832 564073930 /nfs/dbraw/zinc/07/39/30/564073930.db2.gz PDXATFCCJICAGR-IBGZPJMESA-N 0 0 348.471 4.128 50 30 EIEARN C=CCNc1nc(-c2ccc(CNC(=O)C(C)(C)C)s2)cs1 ZINC000014068417 564074070 /nfs/dbraw/zinc/07/40/70/564074070.db2.gz BYHYPFKNSVOLLK-UHFFFAOYSA-N 0 0 335.498 4.132 50 30 EIEARN C=CCn1c(SCC)nc2c(c1=O)C(C)(C)Cc1ccccc1-2 ZINC000000483764 564074572 /nfs/dbraw/zinc/07/45/72/564074572.db2.gz GZVLJDIHXGMETB-UHFFFAOYSA-N 0 0 326.465 4.042 50 30 EIEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3CCCO3)sc2C1 ZINC000001516935 564074880 /nfs/dbraw/zinc/07/48/80/564074880.db2.gz TWPGHZAHELCUPH-IUODEOHRSA-N 0 0 346.496 4.278 50 30 EIEARN COc1ccc(-c2nnc(SCC#N)n2C2CCCCC2)cc1 ZINC000006140738 564076753 /nfs/dbraw/zinc/07/67/53/564076753.db2.gz CTNYBIIRNQZCFH-UHFFFAOYSA-N 0 0 328.441 4.075 50 30 EIEARN N#Cc1cccc(C(=O)N(CCc2cccs2)Cc2ccco2)c1 ZINC000075154754 564080829 /nfs/dbraw/zinc/08/08/29/564080829.db2.gz DGEKTNPFNRUKQK-UHFFFAOYSA-N 0 0 336.416 4.098 50 30 EIEARN COc1cccc(/C=N/[C@H](c2ccccc2)[C@H](O)c2ccccc2)c1O ZINC000075283069 564081514 /nfs/dbraw/zinc/08/15/14/564081514.db2.gz GPAIGKMUMHWDAF-CCAIARAVSA-N 0 0 347.414 4.295 50 30 EIEARN CCn1cc(/C=C2\Oc3c(ccc(O)c3C)C2=O)c2cc(OC)ccc21 ZINC000026439506 564082198 /nfs/dbraw/zinc/08/21/98/564082198.db2.gz UDDOICKRMDJBMR-OCKHKDLRSA-N 0 0 349.386 4.300 50 30 EIEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000006509686 564091221 /nfs/dbraw/zinc/09/12/21/564091221.db2.gz ONHONFNGDRLKCZ-CYBMUJFWSA-N 0 0 349.415 4.088 50 30 EIEARN CC(C=NN1C(=S)N=NC1c1ccccc1Cl)=Cc1ccco1 ZINC000005909296 564093319 /nfs/dbraw/zinc/09/33/19/564093319.db2.gz JXGVHZUGRNDKQD-SLCIPMMZSA-N 0 0 344.827 4.418 50 30 EIEARN C[C@@H](O)c1ccc(-c2ccc(C(=O)N3CCC(C)(C#N)CC3)cc2)cc1 ZINC000426518165 564093958 /nfs/dbraw/zinc/09/39/58/564093958.db2.gz BONHINVFFBOFAF-MRXNPFEDSA-N 0 0 348.446 4.173 50 30 EIEARN CCc1nc(-c2ccc(C(=O)Nc3cccc(C#N)c3)cc2)cs1 ZINC000064677481 564095357 /nfs/dbraw/zinc/09/53/57/564095357.db2.gz RXNZLNLKJPHDIB-UHFFFAOYSA-N 0 0 333.416 4.496 50 30 EIEARN N#Cc1cc(Br)ccc1OC(C(F)(F)F)C(F)(F)F ZINC000169725885 564099178 /nfs/dbraw/zinc/09/91/78/564099178.db2.gz SVJKTKIKPTZHSL-UHFFFAOYSA-N 0 0 348.040 4.193 50 30 EIEARN CSc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CCC3)cc1 ZINC000006936965 564101846 /nfs/dbraw/zinc/10/18/46/564101846.db2.gz IJQGLEWCGIWINC-MRXNPFEDSA-N 0 0 326.421 4.269 50 30 EIEARN COc1ccccc1/C=C/c1nc(C#N)c(N2C[C@H](C)C[C@@H](C)C2)o1 ZINC000016768407 564113142 /nfs/dbraw/zinc/11/31/42/564113142.db2.gz GKEPKXMMECDKKN-VMFRVMOISA-N 0 0 337.423 4.208 50 30 EIEARN C=CCOc1ccc(C(F)(F)F)cc1C(=O)[C@@H](C#N)c1ccccn1 ZINC000076018967 564114491 /nfs/dbraw/zinc/11/44/91/564114491.db2.gz RZDTZODMRKRVPC-AWEZNQCLSA-N 0 0 346.308 4.155 50 30 EIEARN CSc1ccsc1C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000089895684 564114905 /nfs/dbraw/zinc/11/49/05/564114905.db2.gz AKEKLJWRPZEPCT-KRWDZBQOSA-N 0 0 330.478 4.115 50 30 EIEARN CC(C)n1nc(-c2ccccc2)cc1NC(=O)N(CCC#N)C1CC1 ZINC000076070455 564115387 /nfs/dbraw/zinc/11/53/87/564115387.db2.gz DJFXRKVVYIVVOU-UHFFFAOYSA-N 0 0 337.427 4.041 50 30 EIEARN C=CCCSc1nc2scc(-c3cccs3)c2c(=O)n1C ZINC000170635129 564116773 /nfs/dbraw/zinc/11/67/73/564116773.db2.gz HOJYSEMTZORBBE-UHFFFAOYSA-N 0 0 334.491 4.392 50 30 EIEARN N#Cc1cc2c(nc1SCCCC1(C#N)CCOCC1)CCCC2 ZINC000252499115 564119792 /nfs/dbraw/zinc/11/97/92/564119792.db2.gz RVSMSIXUVQLPPG-UHFFFAOYSA-N 0 0 341.480 4.025 50 30 EIEARN CCc1nc(C(C#N)C(=O)[C@H]2C[C@H]2c2cccc(F)c2)sc1C ZINC000252511394 564120098 /nfs/dbraw/zinc/12/00/98/564120098.db2.gz GHPXIFAEBKBZEL-SOUVJXGZSA-N 0 0 328.412 4.133 50 30 EIEARN CCOc1ccc(C2=C(C)SC(N=Cc3ccco3)=NN2)cc1 ZINC000252593995 564121073 /nfs/dbraw/zinc/12/10/73/564121073.db2.gz BOGJKXRZDGWAAA-UHFFFAOYSA-N 0 0 327.409 4.093 50 30 EIEARN Cc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)o1 ZINC000252595834 564121096 /nfs/dbraw/zinc/12/10/96/564121096.db2.gz CDXYQGVXLVKAQC-UHFFFAOYSA-N 0 0 349.415 4.217 50 30 EIEARN N#Cc1ccc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1 ZINC000065918619 564122212 /nfs/dbraw/zinc/12/22/12/564122212.db2.gz AXXGFGFBLWWAIQ-UHFFFAOYSA-N 0 0 329.403 4.059 50 30 EIEARN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Nc1ccc(-c2ccccc2)cc1 ZINC000007778433 564123042 /nfs/dbraw/zinc/12/30/42/564123042.db2.gz XZJVJNVNJMYALZ-HRAATJIYSA-N 0 0 335.451 4.208 50 30 EIEARN Cc1c(N=Cc2ccc(O)c(Br)c2)cccc1[N+](=O)[O-] ZINC000252623984 564123104 /nfs/dbraw/zinc/12/31/04/564123104.db2.gz PDQKXFPWLJRQCN-UHFFFAOYSA-N 0 0 335.157 4.122 50 30 EIEARN Cc1cccc(C)c1N=C1S/C(=C/c2ccccc2O)C(=O)N1C ZINC000252624260 564123133 /nfs/dbraw/zinc/12/31/33/564123133.db2.gz PKIJGEFFHOGLPG-ZRHYCJNMSA-N 0 0 338.432 4.243 50 30 EIEARN COc1ccc(-c2cc(C#N)nc(Oc3ccc(Cl)cc3)n2)cc1 ZINC000002217014 564123470 /nfs/dbraw/zinc/12/34/70/564123470.db2.gz ROCICKXJXWCYTD-UHFFFAOYSA-N 0 0 337.766 4.470 50 30 aggregator EIEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC=CC[C@]34C)[C@H]1CC/C2=N/NC(N)=S ZINC000252694907 564124975 /nfs/dbraw/zinc/12/49/75/564124975.db2.gz RSUWOSICFQPDCA-JEYWJFGTSA-N 0 0 345.556 4.384 50 30 EIEARN N#Cc1cc(C(=O)N(Cc2ccsc2)c2cccnc2)ccc1F ZINC000253416197 564130725 /nfs/dbraw/zinc/13/07/25/564130725.db2.gz VBGNGSOVBUIQQL-UHFFFAOYSA-N 0 0 337.379 4.001 50 30 EIEARN CCc1cc(C#N)c(NC(=O)c2cc(F)cc3cccnc32)s1 ZINC000253416314 564130763 /nfs/dbraw/zinc/13/07/63/564130763.db2.gz ZSKWXLYXCOFSBQ-UHFFFAOYSA-N 0 0 325.368 4.122 50 30 EIEARN Cc1ccc(CN2CCN(N=C/C=C/c3ccccc3)CC2)c(C)c1 ZINC000253483603 564132693 /nfs/dbraw/zinc/13/26/93/564132693.db2.gz QGVJEJVKSHEMCS-DPHBVSPUSA-N 0 0 333.479 4.120 50 30 EIEARN C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@]21CO1 ZINC000253499820 564132741 /nfs/dbraw/zinc/13/27/41/564132741.db2.gz OULYBQZTBUFJRZ-LEKSSAKUSA-N 0 0 344.495 4.461 50 30 EIEARN CC1(C)Cc2c(C#N)c(NC(=O)c3ccc(Cl)cc3)sc2CO1 ZINC000000107592 564132829 /nfs/dbraw/zinc/13/28/29/564132829.db2.gz MURVUFHSCVABEQ-UHFFFAOYSA-N 0 0 346.839 4.377 50 30 EIEARN N#Cc1c(NC(=O)CSc2ccccc2)sc2c1CCCC2 ZINC000000295754 564133062 /nfs/dbraw/zinc/13/30/62/564133062.db2.gz QLVVZECZULJDCA-UHFFFAOYSA-N 0 0 328.462 4.229 50 30 EIEARN CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(C#N)cc3)C(=O)O2)cc1 ZINC000000340047 564133113 /nfs/dbraw/zinc/13/31/13/564133113.db2.gz MNVRQSUMBJWXHJ-LDADJPATSA-N 0 0 330.387 4.200 50 30 EIEARN CCOc1ccccc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000000315014 564133123 /nfs/dbraw/zinc/13/31/23/564133123.db2.gz AOZYOKNGSQYDKA-GFCCVEGCSA-N 0 0 340.448 4.396 50 30 EIEARN CC(C)c1cc(NC[C@@H]2CCCO2)n2c3ccccc3nc2c1C#N ZINC000000522121 564133377 /nfs/dbraw/zinc/13/33/77/564133377.db2.gz YGCYWUNZOBNWJZ-AWEZNQCLSA-N 0 0 334.423 4.073 50 30 EIEARN Cc1sc(NC(=O)c2cccc(Br)c2)c(C#N)c1C ZINC000000557857 564133413 /nfs/dbraw/zinc/13/34/13/564133413.db2.gz CHBPITNNGOXRNS-UHFFFAOYSA-N 0 0 335.226 4.251 50 30 EIEARN CCc1ccc(CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000000542678 564133417 /nfs/dbraw/zinc/13/34/17/564133417.db2.gz AGTWSHZONMYYPJ-UHFFFAOYSA-N 0 0 328.437 4.225 50 30 EIEARN N#Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)nc2ccccc12 ZINC000585114325 564134011 /nfs/dbraw/zinc/13/40/11/564134011.db2.gz OXQCJNXBZPNAMU-ZIAGYGMSSA-N 0 0 347.340 4.414 50 30 EIEARN CCc1ccc(NC(=O)N2CCc3c(CC#N)cccc3C2)cc1F ZINC000585123632 564134019 /nfs/dbraw/zinc/13/40/19/564134019.db2.gz QDZCDYMCGRGNAE-UHFFFAOYSA-N 0 0 337.398 4.044 50 30 EIEARN Cc1nc(C#N)c(NC[C@@H](c2ccccc2Cl)N2CCCCC2)o1 ZINC000027794006 564134573 /nfs/dbraw/zinc/13/45/73/564134573.db2.gz GNUXUFYBELUMTN-KRWDZBQOSA-N 0 0 344.846 4.147 50 30 EIEARN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCC(F)(F)F ZINC000079533471 564134812 /nfs/dbraw/zinc/13/48/12/564134812.db2.gz UCEVEVKILZFVKS-UHFFFAOYSA-N 0 0 349.312 4.335 50 30 EIEARN Cc1c(C#N)c(-c2ccccc2C(=O)N(C(C)C)C(C)C)c(C)n1C ZINC000426421089 564135034 /nfs/dbraw/zinc/13/50/34/564135034.db2.gz HSWAUBLXERMQPG-UHFFFAOYSA-N 0 0 337.467 4.440 50 30 EIEARN N#Cc1ccccc1-c1cccc(C(=O)NCCCC[C@@H]2CCCO2)c1 ZINC000426372426 564135039 /nfs/dbraw/zinc/13/50/39/564135039.db2.gz XEJKLKNNVSKIPN-HXUWFJFHSA-N 0 0 348.446 4.304 50 30 EIEARN Cc1cc(C)c(C#N)c(-c2cccc(C(=O)N3CC=C[C@H]3C(C)C)c2)n1 ZINC000426551734 564135090 /nfs/dbraw/zinc/13/50/90/564135090.db2.gz BXTKBNFBETXWJP-FQEVSTJZSA-N 0 0 345.446 4.274 50 30 EIEARN CCCC[C@@H](c1cccnc1)N(C)C(=O)NCc1ccc(C#N)cc1 ZINC000534648576 564136039 /nfs/dbraw/zinc/13/60/39/564136039.db2.gz GIVPOYJXZNGLEE-IBGZPJMESA-N 0 0 336.439 4.026 50 30 EIEARN Cc1nn(C)c(C)c1C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC000328589527 564136674 /nfs/dbraw/zinc/13/66/74/564136674.db2.gz NURRGCPARHVOGM-IBGZPJMESA-N 0 0 349.434 4.162 50 30 EIEARN CC[C@@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1 ZINC000328592485 564136743 /nfs/dbraw/zinc/13/67/43/564136743.db2.gz WXBQBRZXRCWJNT-MRXNPFEDSA-N 0 0 331.799 4.493 50 30 EIEARN N#CC1CCC(CNC(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000390835726 564139047 /nfs/dbraw/zinc/13/90/47/564139047.db2.gz WFJLFVKNDXHUIS-UHFFFAOYSA-N 0 0 339.361 4.243 50 30 EIEARN C[C@H](NCc1ccc(C#N)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000080342428 564139314 /nfs/dbraw/zinc/13/93/14/564139314.db2.gz HIJJYVDVLQFHNJ-LBPRGKRZSA-N 0 0 338.798 4.112 50 30 EIEARN CCn1ccc2ccc(NC(=O)N(CCC#N)Cc3ccco3)cc21 ZINC000095426830 564140224 /nfs/dbraw/zinc/14/02/24/564140224.db2.gz HPWIUYSZAHONFE-UHFFFAOYSA-N 0 0 336.395 4.202 50 30 EIEARN C=CCc1cccc2cc(C(=O)Nc3ccc(F)c(C)c3)c(=O)oc21 ZINC000095471134 564141228 /nfs/dbraw/zinc/14/12/28/564141228.db2.gz DBAKEWMQPMRXRT-UHFFFAOYSA-N 0 0 337.350 4.221 50 30 EIEARN CCNc1ccc(C#N)cc1NCc1nnc(-c2ccccc2)s1 ZINC000095944889 564142173 /nfs/dbraw/zinc/14/21/73/564142173.db2.gz OCUOLDLLZPLJMQ-UHFFFAOYSA-N 0 0 335.436 4.121 50 30 EIEARN CC(C)(C)[S@](=O)Cc1cccc(NCc2cccc(C#N)c2)c1 ZINC000096482896 564148634 /nfs/dbraw/zinc/14/86/34/564148634.db2.gz UXUFJYRDIKKATB-QHCPKHFHSA-N 0 0 326.465 4.218 50 30 EIEARN O=C1N/C(=N/c2ccccc2)S[C@@H]1Cc1cccc2ccccc21 ZINC000002473641 564149711 /nfs/dbraw/zinc/14/97/11/564149711.db2.gz PZSWLMJYIYWZRQ-GOSISDBHSA-N 0 0 332.428 4.302 50 30 EIEARN O=C(C=CNc1ccc(F)cc1F)c1cccc(OC(F)F)c1 ZINC000002791944 564152677 /nfs/dbraw/zinc/15/26/77/564152677.db2.gz UJLOCLMPFBUANG-VOTSOKGWSA-N 0 0 325.261 4.375 50 30 EIEARN N#CCOc1ccc(NC(=O)/C=C(\c2ccccc2)C(F)(F)F)cc1 ZINC000057778078 564155816 /nfs/dbraw/zinc/15/58/16/564155816.db2.gz HASLMRHBDOOEBT-FOWTUZBSSA-N 0 0 346.308 4.173 50 30 EIEARN C=CCOc1ccccc1C(=O)OCc1coc(-c2ccccc2)n1 ZINC000058161614 564157861 /nfs/dbraw/zinc/15/78/61/564157861.db2.gz LQJDKVMUBRDYKJ-UHFFFAOYSA-N 0 0 335.359 4.263 50 30 EIEARN Cc1cc(OCC(=O)Nc2ccccc2SCC#N)ccc1Cl ZINC000003476881 564158329 /nfs/dbraw/zinc/15/83/29/564158329.db2.gz RRZWADVZUJZDFM-UHFFFAOYSA-N 0 0 346.839 4.282 50 30 EIEARN N#Cc1ccsc1NC(=O)c1ccccc1COc1ccccc1 ZINC000007989632 564161950 /nfs/dbraw/zinc/16/19/50/564161950.db2.gz JRCPJYDTYUCUOU-UHFFFAOYSA-N 0 0 334.400 4.451 50 30 EIEARN Cc1nn(CC(C)C)c2sc(C(=O)Oc3ccc(C#N)cc3)cc12 ZINC000008726687 564167032 /nfs/dbraw/zinc/16/70/32/564167032.db2.gz QYCACSZEIGVXMU-UHFFFAOYSA-N 0 0 339.420 4.153 50 30 EIEARN Cc1ccc(NC(=O)N2CCC(C#N)CC2)c(OCc2ccccc2)c1 ZINC000069569407 564170573 /nfs/dbraw/zinc/17/05/73/564170573.db2.gz WTGRZXGJPPVYHW-UHFFFAOYSA-N 0 0 349.434 4.342 50 30 EIEARN CS[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000071799773 564175497 /nfs/dbraw/zinc/17/54/97/564175497.db2.gz REGICQMLLRQRBO-RKDXNWHRSA-N 0 0 338.404 4.016 50 30 EIEARN C=C(C)CN(CC)C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000071856962 564176081 /nfs/dbraw/zinc/17/60/81/564176081.db2.gz GPATUKQAQLAUPB-UHFFFAOYSA-N 0 0 343.349 4.094 50 30 EIEARN Cc1noc(C)c1CC(=O)Nc1sc(-c2ccccc2)cc1C#N ZINC000077687521 564176843 /nfs/dbraw/zinc/17/68/43/564176843.db2.gz GWVCDKBGJPKSBU-UHFFFAOYSA-N 0 0 337.404 4.073 50 30 EIEARN COc1ccccc1Oc1ccc(NC(=O)c2cccc(C#N)c2)cn1 ZINC000034840237 564177525 /nfs/dbraw/zinc/17/75/25/564177525.db2.gz KTALPFMOZBAMRK-UHFFFAOYSA-N 0 0 345.358 4.006 50 30 EIEARN C[C@@H](Nc1nc(Cl)c(C#N)s1)c1ccc(NC(=O)C2CC2)cc1 ZINC000286048479 1018897609 /nfs/dbraw/zinc/89/76/09/1018897609.db2.gz HQCQKVXAZDKVSN-SECBINFHSA-N 0 0 346.843 4.190 50 30 EIEARN O=C1CC2(CCCCC2)CC(=O)C1=CNCCCOC1CCCCC1 ZINC000101019163 1023278247 /nfs/dbraw/zinc/27/82/47/1023278247.db2.gz ZGKLLPZLORUSFM-UHFFFAOYSA-N 0 0 347.499 4.082 50 30 EIEARN N#Cc1cccc(-c2csc(NC(=O)[C@H]3CCC(F)(F)C3)n2)c1 ZINC000332115419 1023891650 /nfs/dbraw/zinc/89/16/50/1023891650.db2.gz HGZXHPOLPKVCIT-LBPRGKRZSA-N 0 0 333.363 4.056 50 30 EIEARN O=C(O/N=C\c1ccc(Br)cc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000004963519 1025087207 /nfs/dbraw/zinc/08/72/07/1025087207.db2.gz BWIBJURRTJGCLL-KZZLEIPFSA-N 0 0 344.208 4.130 50 30 EIEARN N#CCN(C(=O)C[C@]12CCCC[C@H]1C2(F)F)c1ccc(Cl)cc1 ZINC000598846147 1029636669 /nfs/dbraw/zinc/63/66/69/1029636669.db2.gz UEMYTSAFPIKIKA-GDBMZVCRSA-N 0 0 338.785 4.412 50 30 EIEARN Fc1ccc(C=NOCCOc2cccc(Br)c2)cc1 ZINC000250079442 1035757759 /nfs/dbraw/zinc/75/77/59/1035757759.db2.gz NOAFPGJGYRYWLE-UHFFFAOYSA-N 0 0 338.176 4.018 50 30 EIEARN CN=c1scc(-c2ccc(C)cc2)n1N=Cc1ccc(F)cc1 ZINC000254878014 1036133614 /nfs/dbraw/zinc/13/36/14/1036133614.db2.gz RQXOACDEXVSXKG-UHFFFAOYSA-N 0 0 325.412 4.077 50 30 EIEARN CC[C@@]1(C)NC(=O)N(N=Cc2c3ccccc3cc3ccccc32)C1=O ZINC000254483944 1038018649 /nfs/dbraw/zinc/01/86/49/1038018649.db2.gz WSJDCQFULIBXIX-OAQYLSRUSA-N 0 0 345.402 4.047 50 30 EIEARN O=C(/C=C\c1ccc(-n2cnc3ccccc32)cc1)c1cccnc1 ZINC000096861726 1039503432 /nfs/dbraw/zinc/50/34/32/1039503432.db2.gz USUYJMIGPJWLPK-XFXZXTDPSA-N 0 0 325.371 4.317 50 30 EIEARN Cc1nc(-c2ccc(O)cc2)sc1C(=O)/C=C\c1cccc(O)c1 ZINC000096920124 1039783449 /nfs/dbraw/zinc/78/34/49/1039783449.db2.gz SXQRFEYVMGSMMU-YHYXMXQVSA-N 0 0 337.400 4.426 50 30 EIEARN C=C(C)CNC(=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000012439725 1043226765 /nfs/dbraw/zinc/22/67/65/1043226765.db2.gz VSYJHGYOIDPDQG-UHFFFAOYSA-N 0 0 340.810 4.378 50 30 EIEARN C=CCc1cc(CN(C)Cc2csc(C)n2)cc(OC)c1OCC ZINC000820505573 1043865499 /nfs/dbraw/zinc/86/54/99/1043865499.db2.gz AGTIZHCLDFWEES-UHFFFAOYSA-N 0 0 346.496 4.219 50 30 EIEARN Cc1ccccc1[C@H](NC(=O)N1CCC(C#N)CC1)c1cccs1 ZINC000826697626 1044801862 /nfs/dbraw/zinc/80/18/62/1044801862.db2.gz YPZBNVLWOHVKDL-SFHVURJKSA-N 0 0 339.464 4.091 50 30 EIEARN COc1cc(/C=C\C(=O)c2cccc(OC(F)F)c2)cc(OC)c1 ZINC000033466815 1047314536 /nfs/dbraw/zinc/31/45/36/1047314536.db2.gz MDYFQTNPDQACSJ-SREVYHEPSA-N 0 0 334.318 4.201 50 30 EIEARN C#CCCCC(=O)N1CCC[C@@]1(c1c[nH]c2ccccc21)C(F)(F)F ZINC000585114435 1049549145 /nfs/dbraw/zinc/54/91/45/1049549145.db2.gz QYOVXHPLYJHKLF-GOSISDBHSA-N 0 0 348.368 4.351 50 30 EIEARN C[C@@H](CCC#N)CNc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000585116891 1049561451 /nfs/dbraw/zinc/56/14/51/1049561451.db2.gz LQFBOQVKTLBWNV-INIZCTEOSA-N 0 0 328.460 4.446 50 30 EIEARN CC(C)CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000004738301 210264733 /nfs/dbraw/zinc/26/47/33/210264733.db2.gz KHJCEVZIGVXINP-KNTRCKAVSA-N 0 0 342.355 4.365 50 30 EIEARN N#Cc1cn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc12 ZINC000051319169 214088434 /nfs/dbraw/zinc/08/84/34/214088434.db2.gz VUFBKCBXDSFEKG-UHFFFAOYSA-N 0 0 343.308 4.170 50 30 EIEARN O=C(/C(=C/c1ccncc1)n1ccnc1)c1ccc(Cl)cc1Cl ZINC000004730575 210262876 /nfs/dbraw/zinc/26/28/76/210262876.db2.gz GPZVFSLDPWOWKY-SXGWCWSVSA-N 0 0 344.201 4.466 50 30 EIEARN Cc1ccc([C@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)cc1 ZINC000004725876 210261026 /nfs/dbraw/zinc/26/10/26/210261026.db2.gz ODVMQYMRJGTQMZ-LJQANCHMSA-N 0 0 341.410 4.297 50 30 EIEARN N#CC1(C(=O)N2CCC(c3nc4ccccc4s3)CC2)CCCC1 ZINC000052738039 214142283 /nfs/dbraw/zinc/14/22/83/214142283.db2.gz FWOOWHHLAZGQLF-UHFFFAOYSA-N 0 0 339.464 4.086 50 30 EIEARN N#CC1CCN(C(=O)c2ccccc2Cc2ccc(Cl)cc2)CC1 ZINC000055243638 214294395 /nfs/dbraw/zinc/29/43/95/214294395.db2.gz SBYCYLUGQKEZOR-UHFFFAOYSA-N 0 0 338.838 4.307 50 30 EIEARN C=CCN(Cc1ccccc1C)C(=O)Cc1ccc(O)c(Cl)c1 ZINC000055327339 214307447 /nfs/dbraw/zinc/30/74/47/214307447.db2.gz STYGRBIBYJLZJE-UHFFFAOYSA-N 0 0 329.827 4.111 50 30 EIEARN O=C1c2ccc(O)cc2CC/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000098009333 219068009 /nfs/dbraw/zinc/06/80/09/219068009.db2.gz FECMUJVRCLKQHW-GHXNOFRVSA-N 0 0 329.739 4.166 50 30 EIEARN N#Cc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000004622980 210233443 /nfs/dbraw/zinc/23/34/43/210233443.db2.gz IMXIDRISISCDIL-UHFFFAOYSA-N 0 0 343.308 4.170 50 30 EIEARN O=[N+]([O-])c1ccc(Cl)c(C=NNc2ccc3ccccc3n2)c1 ZINC000004608112 210230380 /nfs/dbraw/zinc/23/03/80/210230380.db2.gz LWYTWTHQCONFED-VCHYOVAHSA-N 0 0 326.743 4.242 50 30 EIEARN Cc1oc(/N=C/c2cc3c(cc2Br)OCO3)c(C#N)c1C ZINC000004589203 210227120 /nfs/dbraw/zinc/22/71/20/210227120.db2.gz NVYOOUIDMHLTDW-NGYBGAFCSA-N 0 0 347.168 4.010 50 30 EIEARN Cc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 ZINC000004520716 210213491 /nfs/dbraw/zinc/21/34/91/210213491.db2.gz AODLUYOBLGFFGE-HUUCEWRRSA-N 0 0 337.444 4.061 50 30 EIEARN O=C1C=C(Nc2ccc(Cc3ccncc3)cc2)c2ccccc2C1=O ZINC000100461250 219099895 /nfs/dbraw/zinc/09/98/95/219099895.db2.gz RMNOHWOEZOYXKP-GFMRDNFCSA-N 0 0 340.382 4.431 50 30 EIEARN C[C@@H](NC=C1C(=O)c2ccccc2C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000100589711 219101978 /nfs/dbraw/zinc/10/19/78/219101978.db2.gz XEDBBJVUZASAMR-ZHHULCEESA-N 0 0 335.447 4.144 50 30 EIEARN Cc1cs/c(=N\N=C\c2ccccc2Cl)n1-c1ccccc1 ZINC000004475526 210197338 /nfs/dbraw/zinc/19/73/38/210197338.db2.gz KRFZAGJOWNNLTH-QPCLUCCGSA-N 0 0 327.840 4.435 50 30 EIEARN O=[N+]([O-])c1ccc(-c2csc(N=NCc3ccc(F)cc3)n2)cc1 ZINC000004475479 210196655 /nfs/dbraw/zinc/19/66/55/210196655.db2.gz XHFZOEFHMSWABT-GIJQJNRQSA-N 0 0 342.355 4.303 50 30 EIEARN CCN1C(=O)/C(=C\c2cccc(O)c2)S/C1=N\c1ccc(C)cc1 ZINC000004460908 210194718 /nfs/dbraw/zinc/19/47/18/210194718.db2.gz FIJHOHAKLJKISL-QHHAONBESA-N 0 0 338.432 4.325 50 30 EIEARN Cn1c2ccccc2s/c1=N/N=C/c1cccc(C(F)(F)F)c1 ZINC000100868759 219110518 /nfs/dbraw/zinc/11/05/18/219110518.db2.gz RKOKCKLHOCNSJQ-FWNMTUQUSA-N 0 0 335.354 4.193 50 30 EIEARN CN(C)/C=N/c1nnc(Sc2ccnc3cc(Cl)ccc32)s1 ZINC000004335997 210174314 /nfs/dbraw/zinc/17/43/14/210174314.db2.gz MEKAIZUJCFWEIN-CAOOACKPSA-N 0 0 349.872 4.112 50 30 EIEARN Cc1c2nc(NC(=O)c3ccc(C#N)cc3)sc2ccc1Cl ZINC000004330985 210173084 /nfs/dbraw/zinc/17/30/84/210173084.db2.gz RNYJTRGPQIBJPN-UHFFFAOYSA-N 0 0 327.796 4.382 50 30 EIEARN COC(=O)c1scc(C)c1NN=Cc1c(F)cccc1Cl ZINC000004324027 210170977 /nfs/dbraw/zinc/17/09/77/210170977.db2.gz VQYOLYSOZJHNKQ-UBKPWBPPSA-N 0 0 326.780 4.082 50 30 EIEARN CC(C)=NOC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000004303127 210164088 /nfs/dbraw/zinc/16/40/88/210164088.db2.gz BDEXVKAYXSUHNM-UHFFFAOYSA-N 0 0 337.354 4.231 50 30 EIEARN COc1ccc(C(C)=NN=c2[nH]c3ccccc3s2)cc1OC ZINC000004190918 210141809 /nfs/dbraw/zinc/14/18/09/210141809.db2.gz PCKDJTLOUXIDAT-ODLFYWEKSA-N 0 0 327.409 4.150 50 30 EIEARN COc1ccc(Nc2oc(COc3ccccc3F)nc2C#N)cc1 ZINC000004168709 210138836 /nfs/dbraw/zinc/13/88/36/210138836.db2.gz LFFYJHLAMKAZAV-UHFFFAOYSA-N 0 0 339.326 4.017 50 30 EIEARN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003445123 210041723 /nfs/dbraw/zinc/04/17/23/210041723.db2.gz JIABRCHEGFOEAH-SNVBAGLBSA-N 0 0 335.190 4.271 50 30 EIEARN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000003443645 210041756 /nfs/dbraw/zinc/04/17/56/210041756.db2.gz PALNXGRGHUVMGX-HRAATJIYSA-N 0 0 336.435 4.175 50 30 EIEARN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000003443647 210041552 /nfs/dbraw/zinc/04/15/52/210041552.db2.gz PALNXGRGHUVMGX-KKSFZXQISA-N 0 0 336.435 4.175 50 30 EIEARN COc1cccc(NC=CC(=O)c2ccc(Br)cc2)c1 ZINC000002994202 209952050 /nfs/dbraw/zinc/95/20/50/209952050.db2.gz ATNCBLHFMIWPLH-MDZDMXLPSA-N 0 0 332.197 4.266 50 30 EIEARN O=C1/C(=C/c2ccsc2)SC(=S)N1/N=C/c1ccsc1 ZINC000002977657 209947829 /nfs/dbraw/zinc/94/78/29/209947829.db2.gz MEHGHKIDHQPFIN-UDTAFQIDSA-N 0 0 336.488 4.045 50 30 EIEARN CC(C)Oc1cccc(-c2cc(-c3cccnc3)c(C#N)c(N)n2)c1 ZINC000067895800 215243403 /nfs/dbraw/zinc/24/34/03/215243403.db2.gz PZUQMKPEERYRCT-UHFFFAOYSA-N 0 0 330.391 4.052 50 30 EIEARN Cn1ccc(-c2cc(-c3ccc([C@@H]4CCCCO4)o3)c(C#N)c(N)n2)c1 ZINC000067921157 215251444 /nfs/dbraw/zinc/25/14/44/215251444.db2.gz PWMWBIFHVKUAJE-SFHVURJKSA-N 0 0 348.406 4.043 50 30 EIEARN Cc1ccc(C#N)cc1NC(=O)c1ccccc1-c1nc(C(C)C)no1 ZINC000067991661 215268130 /nfs/dbraw/zinc/26/81/30/215268130.db2.gz AKWZEAJEYXNPPN-UHFFFAOYSA-N 0 0 346.390 4.292 50 30 EIEARN C[C@@H]1CCc2c(sc3ncnc(OCc4ccc(C#N)cc4)c23)C1 ZINC000002640050 209881287 /nfs/dbraw/zinc/88/12/87/209881287.db2.gz MFFOTGKCVMQEOR-GFCCVEGCSA-N 0 0 335.432 4.267 50 30 EIEARN N#CCN(Cc1ccccc1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000040155683 213275096 /nfs/dbraw/zinc/27/50/96/213275096.db2.gz MYIWJFZQZLFKOB-UHFFFAOYSA-N 0 0 342.826 4.027 50 30 EIEARN CC[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000040088366 213261472 /nfs/dbraw/zinc/26/14/72/213261472.db2.gz VMXBSZMXYWKLKZ-HNNXBMFYSA-N 0 0 345.349 4.432 50 30 EIEARN CC(=O)Nc1ccc(NCc2ccccc2C#N)c(C(F)(F)F)c1 ZINC000040061279 213256668 /nfs/dbraw/zinc/25/66/68/213256668.db2.gz OEPLAPFWQPJMAH-UHFFFAOYSA-N 0 0 333.313 4.148 50 30 EIEARN Cc1cccc(Cn2ccc(-c3ccc(Cl)cc3)c(C#N)c2=O)c1 ZINC000001401919 209740427 /nfs/dbraw/zinc/74/04/27/209740427.db2.gz LSWOCCZFZORIIT-UHFFFAOYSA-N 0 0 334.806 4.397 50 30 aggregator EIEARN N#Cc1c2c(sc1NC(=O)c1cc(-c3ccccc3)on1)CCC2 ZINC000000815056 209689002 /nfs/dbraw/zinc/68/90/02/209689002.db2.gz NPEQZGKVMMUHPY-UHFFFAOYSA-N 0 0 335.388 4.016 50 30 EIEARN Cc1ccc(CCC(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1Cl ZINC000036714286 213113364 /nfs/dbraw/zinc/11/33/64/213113364.db2.gz AGAFIGKNWVCCLX-UHFFFAOYSA-N 0 0 332.713 4.006 50 30 EIEARN CSc1ccccc1/N=C1\SCC(=O)N1CCc1ccccc1 ZINC000036611309 213100859 /nfs/dbraw/zinc/10/08/59/213100859.db2.gz VOGYLSSGTHLYCS-HNENSFHCSA-N 0 0 342.489 4.214 50 30 EIEARN N#C[C@]12CCCC[C@@H]1C[C@H]1CCCC[C@]1(C#N)N2Cc1ccccn1 ZINC000036003799 213054932 /nfs/dbraw/zinc/05/49/32/213054932.db2.gz CBZQHICWBVVOJL-VURPSTOHSA-N 0 0 334.467 4.192 50 30 EIEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2)cc1 ZINC000031819523 212750333 /nfs/dbraw/zinc/75/03/33/212750333.db2.gz CBCYFHMZWJTVLR-SFHVURJKSA-N 0 0 343.386 4.008 50 30 EIEARN Cc1csc([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)n1 ZINC000072273769 216097401 /nfs/dbraw/zinc/09/74/01/216097401.db2.gz HFIPLJHRUAFBAT-KRWDZBQOSA-N 0 0 339.464 4.010 50 30 EIEARN CCOC(=O)c1ccc(/N=C/c2ccc(Br)s2)cc1 ZINC000000286683 209518717 /nfs/dbraw/zinc/51/87/17/209518717.db2.gz XHJCNXZCWFTUSB-CXUHLZMHSA-N 0 0 338.226 4.438 50 30 EIEARN C=CCc1cccc2cc(C(=O)Nc3ccc(CC)cc3)c(=O)oc21 ZINC000000177084 209466316 /nfs/dbraw/zinc/46/63/16/209466316.db2.gz CBBTWFIJEKHTTM-UHFFFAOYSA-N 0 0 333.387 4.336 50 30 EIEARN CC(C)[C@](C)(C#N)NC(=O)c1cccnc1Oc1ccc(Cl)cc1 ZINC000000127907 209439594 /nfs/dbraw/zinc/43/95/94/209439594.db2.gz JECWRCNSLADVJS-SFHVURJKSA-N 0 0 343.814 4.195 50 30 EIEARN C=CC[C@@H](c1cc(Cl)ccc1N)S(=O)(=O)c1ccc(C)cc1 ZINC000000116098 209430156 /nfs/dbraw/zinc/43/01/56/209430156.db2.gz BMTKRHWRTWVXOZ-KRWDZBQOSA-N 0 0 335.856 4.322 50 30 EIEARN COc1ccc(/C=N/NC(=S)Nc2cccc(C)c2)c2ccccc12 ZINC000000064976 209397660 /nfs/dbraw/zinc/39/76/60/209397660.db2.gz ZPLCNQGLSHUUHJ-FYJGNVAPSA-N 0 0 349.459 4.477 50 30 EIEARN COc1ccc(/C=N/c2ccccc2C(=O)c2ccccc2)cc1O ZINC000000066105 209397043 /nfs/dbraw/zinc/39/70/43/209397043.db2.gz QNPUSAOBAPAYLT-HYARGMPZSA-N 0 0 331.371 4.382 50 30 EIEARN N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1ccccc1Cl ZINC000000060425 209394850 /nfs/dbraw/zinc/39/48/50/209394850.db2.gz FUYVKJUIVKGKKH-UHFFFAOYSA-N 0 0 343.777 4.133 50 30 EIEARN CCOc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1O ZINC000000047317 209389618 /nfs/dbraw/zinc/38/96/18/209389618.db2.gz BHSJJKLQFLWLIE-RGVLZGJSSA-N 0 0 326.421 4.353 50 30 EIEARN COC(=O)c1ccc(/C=N/c2ccc(Cc3ccncc3)cc2)cc1 ZINC000000047088 209389631 /nfs/dbraw/zinc/38/96/31/209389631.db2.gz IBGSERVEUOPALS-HZHRSRAPSA-N 0 0 330.387 4.210 50 30 EIEARN O=C(/C(=C/c1ccncc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000073664166 216408312 /nfs/dbraw/zinc/40/83/12/216408312.db2.gz VJDSCZZKEDUFJY-VKAVYKQESA-N 0 0 325.371 4.381 50 30 EIEARN N#Cc1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000024830738 212442569 /nfs/dbraw/zinc/44/25/69/212442569.db2.gz DIMBNWYYTKICJC-UHFFFAOYSA-N 0 0 345.280 4.206 50 30 EIEARN C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000024034424 212405532 /nfs/dbraw/zinc/40/55/32/212405532.db2.gz XZYWXHWVIJDCDK-MRXNPFEDSA-N 0 0 332.325 4.458 50 30 EIEARN Cc1oc(C)c(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1C ZINC000023881852 212397398 /nfs/dbraw/zinc/39/73/98/212397398.db2.gz NCFQZNWGYLQHHF-UHFFFAOYSA-N 0 0 330.387 4.252 50 30 EIEARN O=C1OC(c2ccccc2)=NC1CN=Nc1cccc2cccnc21 ZINC000022780770 212322912 /nfs/dbraw/zinc/32/29/12/212322912.db2.gz RZTQTYUUXBSOPB-CIAFOILYSA-N 0 0 330.347 4.041 50 30 EIEARN Cc1ccc(-c2c(C#N)c(N)nc(Sc3ccccc3)c2C#N)o1 ZINC000020094525 212100719 /nfs/dbraw/zinc/10/07/19/212100719.db2.gz OYRNGGIYQHAHFK-UHFFFAOYSA-N 0 0 332.388 4.127 50 30 EIEARN CCCCc1nc(N)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c1CCC ZINC000019832277 212072872 /nfs/dbraw/zinc/07/28/72/212072872.db2.gz MKPZFDNHQCOHOJ-UHFFFAOYSA-N 0 0 338.411 4.406 50 30 EIEARN N#Cc1c(N)nc2c(c1-c1cccc(Br)c1)CCCCC2 ZINC000019731017 212058258 /nfs/dbraw/zinc/05/82/58/212058258.db2.gz WNSMCPCHSATKNR-UHFFFAOYSA-N 0 0 342.240 4.234 50 30 EIEARN Clc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000019419376 212026749 /nfs/dbraw/zinc/02/67/49/212026749.db2.gz GWDVJORTNAILEB-FYJGNVAPSA-N 0 0 348.277 4.145 50 30 EIEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(F)cc3)S2)c(C)c1 ZINC000018155072 211984588 /nfs/dbraw/zinc/98/45/88/211984588.db2.gz SZLSWAXCJIPOOH-YBEGLDIGSA-N 0 0 326.396 4.334 50 30 EIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000018038144 211978496 /nfs/dbraw/zinc/97/84/96/211978496.db2.gz KSPZYVUYVLWCJS-MOSHPQCFSA-N 0 0 344.414 4.022 50 30 EIEARN COc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000079317276 217208081 /nfs/dbraw/zinc/20/80/81/217208081.db2.gz OFYDFUXIBSLOJS-IBGZPJMESA-N 0 0 335.407 4.244 50 30 EIEARN C=CCn1c(=O)sc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000015865093 211865101 /nfs/dbraw/zinc/86/51/01/211865101.db2.gz YIFUPIMOGHYKJJ-UHFFFAOYSA-N 0 0 344.823 4.155 50 30 EIEARN C=CCNc1ncnc2sc(C(=O)N3CCCCCCC3)c(C)c21 ZINC000015071358 211797542 /nfs/dbraw/zinc/79/75/42/211797542.db2.gz FMARQPTVNAIQOI-UHFFFAOYSA-N 0 0 344.484 4.004 50 30 EIEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1ccc2ccccc2c1 ZINC000012986437 211501249 /nfs/dbraw/zinc/50/12/49/211501249.db2.gz NCLKTOKAMHGBRR-MRXNPFEDSA-N 0 0 344.414 4.137 50 30 EIEARN COc1ccc2c(c1)CC/C(=C\c1c(C)nc3sc(C)cn13)C2=O ZINC000012520329 211397611 /nfs/dbraw/zinc/39/76/11/211397611.db2.gz BEEOTCVAQAKTNS-NTEUORMPSA-N 0 0 338.432 4.234 50 30 EIEARN CN(C)c1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N ZINC000012418926 211374484 /nfs/dbraw/zinc/37/44/84/211374484.db2.gz VROHDSDJZRUOEG-UHFFFAOYSA-N 0 0 343.770 4.105 50 30 EIEARN N#Cc1c(/N=C/c2cc(Br)ccc2O)sc2c1CCC2 ZINC000012363985 211356263 /nfs/dbraw/zinc/35/62/63/211356263.db2.gz BXODHNKFPZENSS-QGMBQPNBSA-N 0 0 347.237 4.327 50 30 EIEARN C=CCC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000011878299 211263338 /nfs/dbraw/zinc/26/33/38/211263338.db2.gz FOAKLBWCSYPGSV-GOSISDBHSA-N 0 0 337.467 4.240 50 30 EIEARN C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000011592646 211223008 /nfs/dbraw/zinc/22/30/08/211223008.db2.gz POZRVZJJTULAOH-XSBCOFAFSA-N 0 0 337.463 4.221 50 30 EIEARN COc1ccc(OC)c([C@@H]2CCCN2Cc2cc(C#N)ccc2F)c1 ZINC000011436418 211217036 /nfs/dbraw/zinc/21/70/36/211217036.db2.gz CIZQFEFSZJSMQS-IBGZPJMESA-N 0 0 340.398 4.052 50 30 EIEARN N#Cc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000010461636 211174412 /nfs/dbraw/zinc/17/44/12/211174412.db2.gz XZKOFBYNFYUBBD-UHFFFAOYSA-N 0 0 341.370 4.063 50 30 EIEARN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000092868511 218178050 /nfs/dbraw/zinc/17/80/50/218178050.db2.gz JZSREUPQQSNTIZ-QGZVFWFLSA-N 0 0 337.427 4.047 50 30 EIEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)cc1 ZINC000009546568 211101724 /nfs/dbraw/zinc/10/17/24/211101724.db2.gz XPWQWKKIFHMHEE-KRWDZBQOSA-N 0 0 345.402 4.116 50 30 EIEARN Cc1sc(NC(=O)c2cc(C3CC3)nn2C(C)(C)C)c(C#N)c1C ZINC000095350654 218284749 /nfs/dbraw/zinc/28/47/49/218284749.db2.gz POICFKSWZXXCKB-UHFFFAOYSA-N 0 0 342.468 4.318 50 30 EIEARN C[C@@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2ccc(F)cc2)C1 ZINC000009009990 211029524 /nfs/dbraw/zinc/02/95/24/211029524.db2.gz HCJQGEGNSOSYCG-YUNKPMOVSA-N 0 0 347.393 4.443 50 30 EIEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCCC4)o3)o2)cc1 ZINC000008844485 211010383 /nfs/dbraw/zinc/01/03/83/211010383.db2.gz XQPCCERXUBJZCH-UHFFFAOYSA-N 0 0 349.390 4.294 50 30 EIEARN CSc1nc(NCCc2ccccc2)c(C#N)c(-c2ccccc2)n1 ZINC000008844197 211010398 /nfs/dbraw/zinc/01/03/98/211010398.db2.gz ONSNYFBDZXEONF-UHFFFAOYSA-N 0 0 346.459 4.392 50 30 EIEARN COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OC)c3C)C1=O)cn2C ZINC000008765526 211002532 /nfs/dbraw/zinc/00/25/32/211002532.db2.gz XMOAVMHYZTTWSP-DJKKODMXSA-N 0 0 349.386 4.120 50 30 biogenic EIEARN CCOc1nc2sc(C(C)=O)c(N)c2c(-c2ccccc2)c1C#N ZINC000008706709 210983879 /nfs/dbraw/zinc/98/38/79/210983879.db2.gz BQKIYNKHLPZQIC-UHFFFAOYSA-N 0 0 337.404 4.018 50 30 EIEARN N#Cc1ccc(-c2nnc(CNc3ccc(C(F)(F)F)cc3)o2)cc1 ZINC000095414804 218353424 /nfs/dbraw/zinc/35/34/24/218353424.db2.gz UKLODHHWTRDUOU-UHFFFAOYSA-N 0 0 344.296 4.239 50 30 EIEARN C=C(C)CSc1nnc([C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)o1 ZINC000008619721 210974169 /nfs/dbraw/zinc/97/41/69/210974169.db2.gz UZOFRBHEEZZUOK-NWDGAFQWSA-N 0 0 341.477 4.350 50 30 EIEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccccc1C ZINC000007720109 210837374 /nfs/dbraw/zinc/83/73/74/210837374.db2.gz SPRDQTOQKBDCGV-UHFFFAOYSA-N 0 0 347.418 4.182 50 30 EIEARN C=C(C)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1C ZINC000007236011 210772982 /nfs/dbraw/zinc/77/29/82/210772982.db2.gz KOFNYGZPHGCJLZ-UHFFFAOYSA-N 0 0 346.452 4.469 50 30 EIEARN N#C[C@]1(c2nc3ccccc3s2)Cc2ccccc2N2CCC[C@H]21 ZINC000005660271 210512100 /nfs/dbraw/zinc/51/21/00/210512100.db2.gz ZAVKEDXRHDPPNB-AZUAARDMSA-N 0 0 331.444 4.283 50 30 EIEARN CSc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1 ZINC000005559320 210489831 /nfs/dbraw/zinc/48/98/31/210489831.db2.gz OALXKQLHAPTATF-XNTDXEJSSA-N 0 0 344.436 4.439 50 30 EIEARN Cc1c(C(=O)N[C@H](C#N)c2ccccc2F)cccc1-c1ccccn1 ZINC000096484642 218859870 /nfs/dbraw/zinc/85/98/70/218859870.db2.gz UKTMTDFWKSUGQY-HXUWFJFHSA-N 0 0 345.377 4.191 50 30 EIEARN O=C(/C=C/c1ccc2ccccc2c1)c1ccc2c(c1)NC(=O)CO2 ZINC000005335838 210441420 /nfs/dbraw/zinc/44/14/20/210441420.db2.gz XHMZUAZMBRYRNM-RMKNXTFCSA-N 0 0 329.355 4.067 50 30 EIEARN O=C(/C=C\c1ccc(Cl)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000096765516 218889192 /nfs/dbraw/zinc/88/91/92/218889192.db2.gz LEBURBKFSBSDPA-BAQGIRSFSA-N 0 0 345.801 4.212 50 30 EIEARN COc1ccc(Br)cc1/C=C/C(=O)c1ccc(F)cc1 ZINC000005068571 210381641 /nfs/dbraw/zinc/38/16/41/210381641.db2.gz SRGJILFYOXNCGV-XBXARRHUSA-N 0 0 335.172 4.493 50 30 EIEARN COc1ccc([N+](=O)[O-])cc1-c1ccc(C=NNc2ccccc2)o1 ZINC000005015363 210361919 /nfs/dbraw/zinc/36/19/19/210361919.db2.gz DCWLXSWXEUAUJR-XDHOZWIPSA-N 0 0 337.335 4.309 50 30 EIEARN COc1ccc(C(C)=NNc2ccccc2Br)c(OC)c1 ZINC000004948000 210336610 /nfs/dbraw/zinc/33/66/10/210336610.db2.gz KVFOHYUYGRFQAB-WOJGMQOQSA-N 0 0 349.228 4.302 50 30 EIEARN N#Cc1nc(/C=C/c2cccs2)oc1N1CCc2ccccc2C1 ZINC000004868111 210308722 /nfs/dbraw/zinc/30/87/22/210308722.db2.gz MRYJWQZBLKCMPO-BQYQJAHWSA-N 0 0 333.416 4.341 50 30 EIEARN C[C@@H](NC(=O)c1ccc(C#N)cc1F)C12CC3CC(CC(C3)C1)C2 ZINC000004843022 210296080 /nfs/dbraw/zinc/29/60/80/210296080.db2.gz PLZNNLMSWVBYEI-GZXIDGMPSA-N 0 0 326.415 4.032 50 30 EIEARN N#CC1(c2ccccc2)CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004836841 210293628 /nfs/dbraw/zinc/29/36/28/210293628.db2.gz IYEZLOWTSYVXLV-UHFFFAOYSA-N 0 0 348.490 4.287 50 30 EIEARN O=C(/C=C/c1ccccn1)c1ccc(NC(=O)c2cccs2)cc1 ZINC000004793464 210278783 /nfs/dbraw/zinc/27/87/83/210278783.db2.gz FNQMPKZOPCLPHB-ZHACJKMWSA-N 0 0 334.400 4.292 50 30 EIEARN N#Cc1c2c(sc1NC(=O)c1cc3c(s1)CCCC3)CCC2 ZINC000004750285 210270486 /nfs/dbraw/zinc/27/04/86/210270486.db2.gz PXCOFUWPMZZUPM-UHFFFAOYSA-N 0 0 328.462 4.301 50 30 EIEARN N#CNC1=N[C@@H](c2ccccc2)C2=C(N1)C(=Cc1ccccc1)CCC2 ZINC000102792660 257869006 /nfs/dbraw/zinc/86/90/06/257869006.db2.gz LGUAJZZMPFHDJE-BXWQOUMASA-N 0 0 340.430 4.279 50 30 EIEARN COC[C@H](C)c1nc(-c2cn(CCC#N)c3ccccc23)cs1 ZINC000129550244 257971344 /nfs/dbraw/zinc/97/13/44/257971344.db2.gz PJUIWVOZEAGSCC-ZDUSSCGKSA-N 0 0 325.437 4.428 50 30 EIEARN C=CCn1c(CC(C)C)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000006701180 258044953 /nfs/dbraw/zinc/04/49/53/258044953.db2.gz CMNHNIASEHIOHE-UHFFFAOYSA-N 0 0 349.887 4.291 50 30 EIEARN C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]2(O)CC#N ZINC000253499659 257999066 /nfs/dbraw/zinc/99/90/66/257999066.db2.gz INRPBWOOOGNJSE-WSBLSWJJSA-N 0 0 327.468 4.163 50 30 EIEARN COc1ccc(/C=C2/CSc3c(F)cccc3C2=O)cc1OC ZINC000096925166 258001716 /nfs/dbraw/zinc/00/17/16/258001716.db2.gz YAOYTVFXHLSIAA-WQLSENKSSA-N 0 0 330.380 4.215 50 30 EIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)C1CC1 ZINC000013776782 258001872 /nfs/dbraw/zinc/00/18/72/258001872.db2.gz PYHLROFOQKHULL-MFOYZWKCSA-N 0 0 340.762 4.272 50 30 EIEARN O=C(Nc1ccsc1)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000330031866 258002912 /nfs/dbraw/zinc/00/29/12/258002912.db2.gz FFSRFDXVQFTBQS-HNNXBMFYSA-N 0 0 346.456 4.207 50 30 EIEARN C=CCn1c(SCc2ccccc2C#N)nnc1-c1ccoc1C ZINC000008073551 258017743 /nfs/dbraw/zinc/01/77/43/258017743.db2.gz LQIFKQKAYWNXPW-UHFFFAOYSA-N 0 0 336.420 4.197 50 30 EIEARN C=CCn1c2ccccc2nc1NCc1c[nH]nc1-c1ccccc1 ZINC000009261991 258018249 /nfs/dbraw/zinc/01/82/49/258018249.db2.gz DTJOAOWQCHLUHQ-UHFFFAOYSA-N 0 0 329.407 4.225 50 30 EIEARN O=c1[nH]c2ccc(/N=C/c3ccccc3OCc3ccccc3)cc2[nH]1 ZINC000002229110 258049703 /nfs/dbraw/zinc/04/97/03/258049703.db2.gz FCASHYDCZXNFIY-LPYMAVHISA-N 0 0 343.386 4.186 50 30 EIEARN COc1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cn1 ZINC000002534727 258049925 /nfs/dbraw/zinc/04/99/25/258049925.db2.gz SQLGLDPJMBOIMC-UHFFFAOYSA-N 0 0 328.371 4.267 50 30 EIEARN CCn1c(SCCC#N)nnc1-c1ccc(Cl)cc1Cl ZINC000003353531 258050600 /nfs/dbraw/zinc/05/06/00/258050600.db2.gz XOWVJWATXYMFFS-UHFFFAOYSA-N 0 0 327.240 4.278 50 30 EIEARN Cc1csc(Sc2ccc(NC(=O)NC[C@H](C)C#N)c(C)c2)n1 ZINC000089589184 258066175 /nfs/dbraw/zinc/06/61/75/258066175.db2.gz VONVTUKPEBDTBP-SNVBAGLBSA-N 0 0 346.481 4.192 50 30 EIEARN Cc1ccccc1-c1nnc(CNc2cc(C#N)ccc2OC(C)C)o1 ZINC000095414839 258067068 /nfs/dbraw/zinc/06/70/68/258067068.db2.gz BVVZGIOAZOVKPN-UHFFFAOYSA-N 0 0 348.406 4.316 50 30 EIEARN N#Cc1ccc(N2CCC(=Cc3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000048302508 132427622 /nfs/dbraw/zinc/42/76/22/132427622.db2.gz JOFGWXFYHRIWCN-UHFFFAOYSA-N 0 0 337.354 4.289 50 30 EIEARN COc1ccc(NCc2ncc(-c3ccc(C#N)cc3)o2)cc1Cl ZINC000157258983 534186731 /nfs/dbraw/zinc/18/67/31/534186731.db2.gz DLXGDRFQFNDKFL-UHFFFAOYSA-N 0 0 339.782 4.487 50 30 EIEARN CNC(=S)N(CCc1c(C)[nH]c2ccccc21)Cc1ccco1 ZINC000013878732 518571312 /nfs/dbraw/zinc/57/13/12/518571312.db2.gz QFRSUKHLKLKVMF-UHFFFAOYSA-N 0 0 327.453 4.030 50 30 EIEARN C=C(C)[C@@H]1CC(=O)[C@H](C)[C@@H]([C@H]2CCc3cc(OC)ccc3C2=O)C1 ZINC000248149557 518643022 /nfs/dbraw/zinc/64/30/22/518643022.db2.gz AWFFMSDYWLBCOX-MWLKLMTCSA-N 0 0 326.436 4.248 50 30 EIEARN C=CCNC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000028889589 518913979 /nfs/dbraw/zinc/91/39/79/518913979.db2.gz BYNAQVVURSWISD-CYBMUJFWSA-N 0 0 330.815 4.235 50 30 EIEARN C=CCc1ccc(OCCCCn2nnc3ccccc32)c(OC)c1 ZINC000004838233 519136283 /nfs/dbraw/zinc/13/62/83/519136283.db2.gz VNWQXNPKUCTFKY-UHFFFAOYSA-N 0 0 337.423 4.028 50 30 EIEARN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1O ZINC000005061145 519240129 /nfs/dbraw/zinc/24/01/29/519240129.db2.gz ALWGWCJKCZOZBM-UHFFFAOYSA-N 0 0 341.411 4.268 50 30 EIEARN COc1cc(/C=C/C(=O)c2c(C)[nH]c3ccccc32)ccc1OCC#N ZINC000024567190 521938219 /nfs/dbraw/zinc/93/82/19/521938219.db2.gz VYTILYBPNJXWQQ-VQHVLOKHSA-N 0 0 346.386 4.283 50 30 EIEARN Cc1cccc(-c2nnc(SCCCC#N)n2Cc2ccco2)c1 ZINC000014249520 524126845 /nfs/dbraw/zinc/12/68/45/524126845.db2.gz ZVAIKEJPZAKYAV-UHFFFAOYSA-N 0 0 338.436 4.291 50 30 EIEARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)c1ccc(O)cc1 ZINC000007000002 526288984 /nfs/dbraw/zinc/28/89/84/526288984.db2.gz PGGJLHYMYXYDOG-OUKQBFOZSA-N 0 0 346.430 4.458 50 30 EIEARN Oc1ccccc1/C=N/C(/N=C/c1ccccc1O)c1ccccc1O ZINC000017777787 526370394 /nfs/dbraw/zinc/37/03/94/526370394.db2.gz INHDIZFGNSQNTN-MSKUYSOUSA-N 0 0 346.386 4.040 50 30 EIEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccco1 ZINC000239235939 526389990 /nfs/dbraw/zinc/38/99/90/526389990.db2.gz XAILHIOUPNNCFU-UHFFFAOYSA-N 0 0 339.207 4.016 50 30 EIEARN O=C1C=C(NCCc2c[nH]c3ccccc23)C[C@@H](c2ccccc2)C1 ZINC000100657689 526959763 /nfs/dbraw/zinc/95/97/63/526959763.db2.gz JVZDIYKOFUCDTQ-GOSISDBHSA-N 0 0 330.431 4.331 50 30 EIEARN O=C1c2cccc(O)c2C/C1=C/c1ccccc1OCc1ccccn1 ZINC000025175333 527125778 /nfs/dbraw/zinc/12/57/78/527125778.db2.gz CCNDXSDEXMAFMP-VBKFSLOCSA-N 0 0 343.382 4.189 50 30 EIEARN CN(Cc1cscn1)c1c(Br)cc(Cl)cc1C#N ZINC000225650828 536485999 /nfs/dbraw/zinc/48/59/99/536485999.db2.gz ZASOBUMIMKOBDN-UHFFFAOYSA-N 0 0 342.649 4.067 50 30 EIEARN COc1ccc(/C=N/c2cccc(NC(=O)c3ccccc3O)c2)cc1 ZINC000000072828 563216198 /nfs/dbraw/zinc/21/61/98/563216198.db2.gz HHNRRHHKRQQVPW-HYARGMPZSA-N 0 0 346.386 4.404 50 30 EIEARN C/C(=N\OC(=O)c1ccc(Br)cc1)c1ccc(C)cc1 ZINC000000096352 563224303 /nfs/dbraw/zinc/22/43/03/563224303.db2.gz GSSQKTIKJHKUSY-LDADJPATSA-N 0 0 332.197 4.339 50 30 EIEARN CSc1sc(C(=O)/C=C/N(C)C)c(-c2cccs2)c1C#N ZINC000000149593 563245776 /nfs/dbraw/zinc/24/57/76/563245776.db2.gz WETKEKWLVZBMSK-VOTSOKGWSA-N 0 0 334.491 4.328 50 30 EIEARN COc1ccc(C(=O)C=CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000449682 563318603 /nfs/dbraw/zinc/31/86/03/563318603.db2.gz JTJNAGWGDYINDT-CMDGGOBGSA-N 0 0 332.743 4.065 50 30 EIEARN CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1Cl ZINC000000566917 563348089 /nfs/dbraw/zinc/34/80/89/563348089.db2.gz CTGRDRNUDZCPFY-UHFFFAOYSA-N 0 0 346.839 4.413 50 30 EIEARN N#CC[C@H]1c2ccccc2CCN1C(=O)Nc1cccc(Cl)c1 ZINC000001391573 563385796 /nfs/dbraw/zinc/38/57/96/563385796.db2.gz HKTNJZADJOHHLM-KRWDZBQOSA-N 0 0 325.799 4.385 50 30 EIEARN CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000002060944 563420370 /nfs/dbraw/zinc/42/03/70/563420370.db2.gz WJNLCANDYKZMSD-INIZCTEOSA-N 0 0 335.831 4.205 50 30 EIEARN O=[N+]([O-])c1ccccc1-c1ccc(C=NN=c2[nH]c3ccccc3[nH]2)o1 ZINC000005455327 563533150 /nfs/dbraw/zinc/53/31/50/563533150.db2.gz TWPQSKOYWVTPDB-YBFXNURJSA-N 0 0 347.334 4.177 50 30 EIEARN CC(=NNc1nc2ccccc2[nH]1)c1ccc(Br)cc1 ZINC000005612712 563542950 /nfs/dbraw/zinc/54/29/50/563542950.db2.gz MMNCHMXSULBLSO-VXLYETTFSA-N 0 0 329.201 4.162 50 30 EIEARN FC(F)(F)Oc1ccc(NC(=S)NCc2ccccc2)cc1 ZINC000008691974 563635693 /nfs/dbraw/zinc/63/56/93/563635693.db2.gz LSPKTCDNEYNTJW-UHFFFAOYSA-N 0 0 326.343 4.483 50 30 EIEARN CCOc1cc(/C=C2\CCc3cc(OC)ccc3C2=O)ccc1OC ZINC000013140831 563690889 /nfs/dbraw/zinc/69/08/89/563690889.db2.gz OQNHXPRBLFRPDT-LFIBNONCSA-N 0 0 338.403 4.315 50 30 EIEARN O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1ccc(F)cc1 ZINC000013645427 563706341 /nfs/dbraw/zinc/70/63/41/563706341.db2.gz KGNIXPQERDWBPH-ZROIWOOFSA-N 0 0 332.787 4.371 50 30 EIEARN Cc1ccc(/N=C2/c3ccccc3N(CN3CCC[C@H](C)C3)C2=O)cc1 ZINC000013713355 563715218 /nfs/dbraw/zinc/71/52/18/563715218.db2.gz BEVHVSGZHFIYLQ-JHGXHUTESA-N 0 0 347.462 4.152 50 30 EIEARN Fc1ccc(CN=Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000013712340 563715253 /nfs/dbraw/zinc/71/52/53/563715253.db2.gz FXFZYBDLUZHOOS-ZVBGSRNCSA-N 0 0 326.400 4.155 50 30 EIEARN O=C1N/C(=N\c2cccc(Cl)c2)S/C1=C\C=C\c1ccco1 ZINC000013810714 563724173 /nfs/dbraw/zinc/72/41/73/563724173.db2.gz OEYCJZPQLSTHJG-NTOUICHMSA-N 0 0 330.796 4.381 50 30 EIEARN CC(=O)C1C(C)=Nc2cc(-c3ccccc3)nn2[C@@H]1c1ccccc1 ZINC000015017033 563772669 /nfs/dbraw/zinc/77/26/69/563772669.db2.gz GOFYQWZZPFBBFF-OAQYLSRUSA-N 0 0 329.403 4.428 50 30 EIEARN CCCCn1c(SCCCC#N)nc2sc(C)c(C)c2c1=O ZINC000032910412 563802220 /nfs/dbraw/zinc/80/22/20/563802220.db2.gz JCWMEJHOPDRUCE-UHFFFAOYSA-N 0 0 335.498 4.271 50 30 EIEARN Cc1ccc(/N=C2\NC(=O)[C@H](Cc3cccc(Cl)c3)S2)cc1 ZINC000017040828 563829753 /nfs/dbraw/zinc/82/97/53/563829753.db2.gz QUNKENHPHCFTGG-HNNXBMFYSA-N 0 0 330.840 4.110 50 30 EIEARN CC(=CC(=O)c1ccc(Br)cc1)NCc1ccccc1 ZINC000017511105 563844707 /nfs/dbraw/zinc/84/47/07/563844707.db2.gz FGBXTBGXTNACMU-ACCUITESSA-N 0 0 330.225 4.325 50 30 EIEARN O=C1N/C(=N\c2ccccc2)S/C1=C\c1cccn1-c1ccccc1 ZINC000018272529 563851966 /nfs/dbraw/zinc/85/19/66/563851966.db2.gz QXJUEICLCKPRFJ-JXAWBTAJSA-N 0 0 345.427 4.369 50 30 aggregator EIEARN COc1ccc(C[C@H](C#N)C(=O)Nc2cccc3ccccc32)cc1 ZINC000057525060 563935677 /nfs/dbraw/zinc/93/56/77/563935677.db2.gz QQVJOSLLVHUIHZ-QGZVFWFLSA-N 0 0 330.387 4.169 50 30 EIEARN N#C[C@H](C(=O)CCOCc1ccccc1)c1ccc2ccccc2n1 ZINC000058171972 563938957 /nfs/dbraw/zinc/93/89/57/563938957.db2.gz OSWSTDJIKPERSV-SFHVURJKSA-N 0 0 330.387 4.018 50 30 EIEARN CC(=O)N(C)c1nc(/C=C/C(=O)c2ccc(CC(C)C)cc2)cs1 ZINC000058175118 563939125 /nfs/dbraw/zinc/93/91/25/563939125.db2.gz BREAWVPDNUTSED-MDZDMXLPSA-N 0 0 342.464 4.220 50 30 EIEARN CCCCCCCCCNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000097941852 563951599 /nfs/dbraw/zinc/95/15/99/563951599.db2.gz AXJMLUCXWKZABI-UHFFFAOYSA-N 0 0 337.460 4.193 50 30 EIEARN N#Cc1cc2c(nc1SCc1ccccc1F)C1CCN2CC1 ZINC000004707126 563964756 /nfs/dbraw/zinc/96/47/56/563964756.db2.gz UHQOIPBWUPIBKY-UHFFFAOYSA-N 0 0 325.412 4.082 50 30 EIEARN C#Cc1cccc(NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000097162388 563968435 /nfs/dbraw/zinc/96/84/35/563968435.db2.gz PSJMTGCJTZDBNQ-UHFFFAOYSA-N 0 0 338.838 4.038 50 30 EIEARN N#Cc1ccccc1OCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000014227942 563983593 /nfs/dbraw/zinc/98/35/93/563983593.db2.gz BYASBVCWWJOBHJ-UHFFFAOYSA-N 0 0 345.280 4.206 50 30 EIEARN Cc1ccc(C(=O)NCc2nc(-c3ccccc3F)cs2)c(C)n1 ZINC000328586811 563984027 /nfs/dbraw/zinc/98/40/27/563984027.db2.gz HNCVXGHFAVEXGS-UHFFFAOYSA-N 0 0 341.411 4.466 50 30 EIEARN Clc1cccc(/C=N/n2cnnc2SCc2ccccc2)c1 ZINC000000147603 563987259 /nfs/dbraw/zinc/98/72/59/563987259.db2.gz LVKFYEHRPZYMFQ-VXLYETTFSA-N 0 0 328.828 4.106 50 30 EIEARN Clc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 ZINC000000147600 563987266 /nfs/dbraw/zinc/98/72/66/563987266.db2.gz FYVGSXHXXQFOGO-VXLYETTFSA-N 0 0 328.828 4.106 50 30 EIEARN N#Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000000176220 563987660 /nfs/dbraw/zinc/98/76/60/563987660.db2.gz LLRVXZPPDMQXIO-UHFFFAOYSA-N 0 0 338.370 4.354 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000000203581 563988394 /nfs/dbraw/zinc/98/83/94/563988394.db2.gz OJSNWNBFTVZHNE-QAPCUYQASA-N 0 0 344.407 4.207 50 30 EIEARN COc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1OC ZINC000000275890 563990153 /nfs/dbraw/zinc/99/01/53/563990153.db2.gz OACDUYUZQSUDJS-RGVLZGJSSA-N 0 0 326.421 4.266 50 30 EIEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(C)c(Cl)c2)n1 ZINC000000303459 563990839 /nfs/dbraw/zinc/99/08/39/563990839.db2.gz PZPWSQNFLHBDPZ-UHFFFAOYSA-N 0 0 345.855 4.263 50 30 EIEARN Cc1cc2c(ncnc2SCCCC2(C#N)CCOCC2)s1 ZINC000225572590 563991434 /nfs/dbraw/zinc/99/14/34/563991434.db2.gz QSYQQGAEYKUZAY-UHFFFAOYSA-N 0 0 333.482 4.192 50 30 EIEARN O=C1c2ccccc2SC1=CNN=c1[nH]c2ccccc2s1 ZINC000100366226 563992216 /nfs/dbraw/zinc/99/22/16/563992216.db2.gz GDTYERMOCCTKCL-ZROIWOOFSA-N 0 0 325.418 4.043 50 30 EIEARN CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O ZINC000005163702 563996546 /nfs/dbraw/zinc/99/65/46/563996546.db2.gz IIYQFNILNLYQRG-SXGWCWSVSA-N 0 0 343.766 4.017 50 30 EIEARN C=CCc1cccc2cc(C(=O)Nc3ccc(C)cc3C)c(=O)oc21 ZINC000000322156 564000168 /nfs/dbraw/zinc/00/01/68/564000168.db2.gz ZYXJAYYHIZMING-UHFFFAOYSA-N 0 0 333.387 4.391 50 30 EIEARN O=C1/C(=N\OCc2ccc(F)cc2)c2ccccc2N1c1ccccc1 ZINC000005483749 564004646 /nfs/dbraw/zinc/00/46/46/564004646.db2.gz NCPGRFYAAKSLRW-ATJXCDBQSA-N 0 0 346.361 4.425 50 30 EIEARN C[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccc(C#N)cc1 ZINC000005627211 564006700 /nfs/dbraw/zinc/00/67/00/564006700.db2.gz SKNSUWUXRBUXHE-ZDUSSCGKSA-N 0 0 333.416 4.226 50 30 EIEARN O=C(/C=C\c1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000017354500 564011738 /nfs/dbraw/zinc/01/17/38/564011738.db2.gz VSCQVUUNFUZOBZ-XFSBKJJWSA-N 0 0 331.165 4.074 50 30 EIEARN N#Cc1c[nH]c(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c1 ZINC000177937558 564014947 /nfs/dbraw/zinc/01/49/47/564014947.db2.gz CGFMVJQJBGKIBD-UHFFFAOYSA-N 0 0 341.292 4.223 50 30 EIEARN N#CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000000494572 564017873 /nfs/dbraw/zinc/01/78/73/564017873.db2.gz KUIFQDSTYGMSDZ-OAHLLOKOSA-N 0 0 330.727 4.060 50 30 EIEARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)C2=NNc1ccccc1 ZINC000018266431 564019059 /nfs/dbraw/zinc/01/90/59/564019059.db2.gz UFACUHJIWPTNEN-PTGBLXJZSA-N 0 0 331.419 4.353 50 30 EIEARN C[C@H]1CCc2c(sc(/N=C/c3c[nH]c4ccccc34)c2C(N)=O)C1 ZINC000000501680 564019080 /nfs/dbraw/zinc/01/90/80/564019080.db2.gz WZDUHCNQWWOGPY-ZOCVZFIWSA-N 0 0 337.448 4.204 50 30 EIEARN CCOC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 ZINC000005709639 564019678 /nfs/dbraw/zinc/01/96/78/564019678.db2.gz DJIOYGAIBLADNB-IWGRKNQJSA-N 0 0 347.414 4.195 50 30 EIEARN CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1Cc1cccnc1 ZINC000000567665 564023411 /nfs/dbraw/zinc/02/34/11/564023411.db2.gz HSUYCJDUDUGDRK-UHFFFAOYSA-N 0 0 342.398 4.081 50 30 EIEARN N#Cc1ccc(NC(=O)/C=C/c2cc(Br)cs2)cc1 ZINC000000568085 564023491 /nfs/dbraw/zinc/02/34/91/564023491.db2.gz UYQBCALLCKBZBX-AATRIKPKSA-N 0 0 333.210 4.034 50 30 EIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2ccccc2n1 ZINC000048289622 564030529 /nfs/dbraw/zinc/03/05/29/564030529.db2.gz SEGPKNREWXBQAC-UHFFFAOYSA-N 0 0 342.358 4.051 50 30 EIEARN CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000008321633 564035345 /nfs/dbraw/zinc/03/53/45/564035345.db2.gz AHHHEEWLQJOOQI-RUDMXATFSA-N 0 0 332.783 4.349 50 30 EIEARN CC(=O)Nc1ccc(C=CC(=O)c2nc(-c3ccccc3)[nH]c2C)cc1 ZINC000032915311 564036289 /nfs/dbraw/zinc/03/62/89/564036289.db2.gz DZCWVGFVPLFCJP-JLHYYAGUSA-N 0 0 345.402 4.240 50 30 EIEARN CC(C)CCOc1ccc(C(=O)N(C)Cc2cccc(C#N)c2)cc1 ZINC000025100834 564053244 /nfs/dbraw/zinc/05/32/44/564053244.db2.gz QFEUFZOGZMZTCB-UHFFFAOYSA-N 0 0 336.435 4.255 50 30 EIEARN N#Cc1c(F)cccc1N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000025578311 564056270 /nfs/dbraw/zinc/05/62/70/564056270.db2.gz IYDLJNOSIMGNOP-HXUWFJFHSA-N 0 0 346.409 4.432 50 30 EIEARN CCc1ccc(/N=C2\NC(=O)[C@H](Cc3ccccc3Cl)S2)cc1 ZINC000005931538 564057048 /nfs/dbraw/zinc/05/70/48/564057048.db2.gz CVFIFOPJVBUGQK-INIZCTEOSA-N 0 0 344.867 4.364 50 30 EIEARN N#CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000044085342 564059503 /nfs/dbraw/zinc/05/95/03/564059503.db2.gz UPKGHXVJOQNUIA-UHFFFAOYSA-N 0 0 336.376 4.063 50 30 EIEARN N#Cc1cccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)c1 ZINC000012647965 564062090 /nfs/dbraw/zinc/06/20/90/564062090.db2.gz FPLWUJVPXHPEFY-CHHVJCJISA-N 0 0 343.169 4.210 50 30 EIEARN C=CCN(Cc1cccs1)C(=O)NCCOc1cc(C)cc(C)c1 ZINC000060021417 564065398 /nfs/dbraw/zinc/06/53/98/564065398.db2.gz GHIGHSPKFJSWFX-UHFFFAOYSA-N 0 0 344.480 4.142 50 30 EIEARN C=C(C)COc1ccc(NC(=O)N2CCCC[C@@H]2CCOC)cc1 ZINC000096139022 564066513 /nfs/dbraw/zinc/06/65/13/564066513.db2.gz VRAYQHSKUCKJNX-QGZVFWFLSA-N 0 0 332.444 4.064 50 30 EIEARN C=C(Cl)COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000084544143 564068636 /nfs/dbraw/zinc/06/86/36/564068636.db2.gz NQKKFCUYBPCGFX-UHFFFAOYSA-N 0 0 330.815 4.186 50 30 EIEARN CCCCCCC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C#N ZINC000006041706 564072353 /nfs/dbraw/zinc/07/23/53/564072353.db2.gz GIXMBXFVNMEQHT-UHFFFAOYSA-N 0 0 349.500 4.319 50 30 EIEARN C=CCN(CC=C)C(=O)c1cc(-c2cccs2)nc2onc(C)c21 ZINC000013642165 564073938 /nfs/dbraw/zinc/07/39/38/564073938.db2.gz SYLDFLWJIKGBIJ-UHFFFAOYSA-N 0 0 339.420 4.074 50 30 EIEARN Clc1cccc(C=NN2CCN(Cc3ccccc3)CC2)c1Cl ZINC000239173978 564075053 /nfs/dbraw/zinc/07/50/53/564075053.db2.gz PAQIRZCACKYGCA-UHFFFAOYSA-N 0 0 348.277 4.145 50 30 EIEARN O=C1c2ccccc2C(=O)C(Oc2ccccc2)=C1Oc1ccccc1 ZINC000000402480 564075992 /nfs/dbraw/zinc/07/59/92/564075992.db2.gz HOLXCWXMWHRROR-UHFFFAOYSA-N 0 0 342.350 4.435 50 30 EIEARN CCCCCCCCCCCC(=O)NC(=S)Nc1ncccn1 ZINC000100816032 564076300 /nfs/dbraw/zinc/07/63/00/564076300.db2.gz VMNCOVVGHFXZDJ-UHFFFAOYSA-N 0 0 336.505 4.211 50 30 EIEARN Cc1ccc(-c2nc(NC(=O)COc3cccc(C)c3C)n[nH]2)cc1 ZINC000012934190 564079131 /nfs/dbraw/zinc/07/91/31/564079131.db2.gz BSDWGRZZYVRUMO-UHFFFAOYSA-N 0 0 336.395 4.064 50 30 EIEARN CCCC[C@H]1C2=C(CC(C)(C)CC2=O)OC12C(=O)CC(C)(C)CC2=O ZINC000075260889 564081224 /nfs/dbraw/zinc/08/12/24/564081224.db2.gz WNHIIKBAWDGOFI-ZDUSSCGKSA-N 0 0 346.467 4.163 50 30 EIEARN CC1(C)CC(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)C1 ZINC000000284875 564087600 /nfs/dbraw/zinc/08/76/00/564087600.db2.gz NKJXNWAALQLSRS-UHFFFAOYSA-N 0 0 339.347 4.196 50 30 EIEARN C=CCN(Cc1nccn1Cc1ccccc1Cl)C(=O)CC(C)C ZINC000006689889 564095818 /nfs/dbraw/zinc/09/58/18/564095818.db2.gz UVQQJILMZCVWFI-UHFFFAOYSA-N 0 0 345.874 4.146 50 30 EIEARN C=CCOc1cccc(-c2nc3c(c(=O)[nH]2)Cc2cc(C)ccc2O3)c1 ZINC000006748568 564097085 /nfs/dbraw/zinc/09/70/85/564097085.db2.gz YIGBWPWXDHCLKW-UHFFFAOYSA-N 0 0 346.386 4.419 50 30 EIEARN N#Cc1ccc(OC(C(F)(F)F)C(F)(F)F)c(Br)c1 ZINC000169725871 564099184 /nfs/dbraw/zinc/09/91/84/564099184.db2.gz KFGODBVCVZLYOV-UHFFFAOYSA-N 0 0 348.040 4.193 50 30 EIEARN Cc1nc(S[C@H](C)C(=O)N(C)c2ccccc2)c(C#N)c(C)c1C ZINC000007059503 564104008 /nfs/dbraw/zinc/10/40/08/564104008.db2.gz KUECKWVIUAERTP-OAHLLOKOSA-N 0 0 339.464 4.022 50 30 EIEARN Cc1nc(SCC(=O)N(CC(C)C)CC(C)C)c(C#N)c(C)c1C ZINC000007058956 564104015 /nfs/dbraw/zinc/10/40/15/564104015.db2.gz FPNOQRFNOBOEGW-UHFFFAOYSA-N 0 0 347.528 4.111 50 30 EIEARN CCCCCCCOc1cccc(CNc2nnc(C(C)(C)O)o2)c1 ZINC000170607186 564109612 /nfs/dbraw/zinc/10/96/12/564109612.db2.gz DGHBYUZQCVHKCR-UHFFFAOYSA-N 0 0 347.459 4.258 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1cccc(C)c1 ZINC000170615355 564109961 /nfs/dbraw/zinc/10/99/61/564109961.db2.gz AVQOWIWIYUYZPH-MJGOQNOKSA-N 0 0 340.444 4.376 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1cccc(C)c1 ZINC000170615354 564109990 /nfs/dbraw/zinc/10/99/90/564109990.db2.gz AVQOWIWIYUYZPH-IEBWSBKVSA-N 0 0 340.444 4.376 50 30 EIEARN Cc1ccsc1C=NN1C(=S)N=NC1c1ccccc1Cl ZINC000005982091 564112613 /nfs/dbraw/zinc/11/26/13/564112613.db2.gz YMJBNOJDYUBLEP-LZYBPNLTSA-N 0 0 334.857 4.139 50 30 EIEARN COc1cccc(/C=C/c2nc(C#N)c(N3C[C@H](C)C[C@H](C)C3)o2)c1 ZINC000016768412 564113137 /nfs/dbraw/zinc/11/31/37/564113137.db2.gz YJGHWANUASRDEH-LAELXIFRSA-N 0 0 337.423 4.208 50 30 EIEARN Cc1nc(-c2cccc(C(=O)[C@@H](C#N)c3nc(C)cc(C)n3)c2)cs1 ZINC000076090001 564115601 /nfs/dbraw/zinc/11/56/01/564115601.db2.gz NKDYKIKCNKREGW-MRXNPFEDSA-N 0 0 348.431 4.015 50 30 EIEARN N#C[C@@H](C(=O)c1cccc(-c2ccoc2)c1)c1nc2ccccc2[nH]1 ZINC000089964429 564115898 /nfs/dbraw/zinc/11/58/98/564115898.db2.gz KOXVZLGOASIJFL-INIZCTEOSA-N 0 0 327.343 4.313 50 30 EIEARN CC1(C)CCC[C@@](C)(C#CCN2CCCC[C@@H]2c2cccnc2)O1 ZINC000002111373 564118070 /nfs/dbraw/zinc/11/80/70/564118070.db2.gz MGHSLDDBTFCNLI-CTNGQTDRSA-N 0 0 326.484 4.350 50 30 EIEARN COc1ccc(C=NNC(=S)Nc2ccc(C)cc2)c2ccccc12 ZINC000252460432 564118646 /nfs/dbraw/zinc/11/86/46/564118646.db2.gz FHZQUXDLOUKPDJ-UHFFFAOYSA-N 0 0 349.459 4.477 50 30 EIEARN CC(=NOC(=O)c1ccc(Br)cc1)c1ccc(C)cc1 ZINC000252460611 564118668 /nfs/dbraw/zinc/11/86/68/564118668.db2.gz GSSQKTIKJHKUSY-UHFFFAOYSA-N 0 0 332.197 4.339 50 30 EIEARN C[C@@H](CCC#N)Sc1nnc(-c2cccs2)n1Cc1ccco1 ZINC000252493132 564119628 /nfs/dbraw/zinc/11/96/28/564119628.db2.gz MZVJCVZJNRUFIF-LBPRGKRZSA-N 0 0 344.465 4.432 50 30 EIEARN CCC(C=Nn1c(C)nc2sc3c(c2c1=O)CCCCC3)CC ZINC000252517470 564120291 /nfs/dbraw/zinc/12/02/91/564120291.db2.gz JEMQRAUZTYHAKQ-UHFFFAOYSA-N 0 0 331.485 4.305 50 30 EIEARN C=CCOc1c(Br)cc(Br)c2cccnc21 ZINC000002206873 564121161 /nfs/dbraw/zinc/12/11/61/564121161.db2.gz NUVDUQIGFOTERD-UHFFFAOYSA-N 0 0 343.018 4.325 50 30 EIEARN CCOC(=O)c1cccc(N=Cc2ccc(Br)cc2)c1 ZINC000252595996 564121100 /nfs/dbraw/zinc/12/11/00/564121100.db2.gz CFFADPPLPZIZEE-UHFFFAOYSA-N 0 0 332.197 4.376 50 30 EIEARN COc1ccc(CC=CN=NC2=NC(C)(C)Cc3ccccc32)cc1 ZINC000252621395 564122877 /nfs/dbraw/zinc/12/28/77/564122877.db2.gz MXOGUZOOEYUPHV-MYDKQXEUSA-N 0 0 333.435 4.065 50 30 EIEARN COc1ccc(CC=CN=NC2=NC(C)(C)Cc3ccccc32)cc1 ZINC000252621394 564122885 /nfs/dbraw/zinc/12/28/85/564122885.db2.gz MXOGUZOOEYUPHV-FOZBLGBGSA-N 0 0 333.435 4.065 50 30 EIEARN Cc1nn2cc(C#N)c(-c3ccc(F)cc3)nc2c1-c1ccccc1 ZINC000002221660 564124040 /nfs/dbraw/zinc/12/40/40/564124040.db2.gz WZDQULFSPSYVQO-UHFFFAOYSA-N 0 0 328.350 4.383 50 30 EIEARN COc1ccc(-c2nc(C#N)c(NCc3ccccc3Cl)o2)cc1 ZINC000000467507 564133269 /nfs/dbraw/zinc/13/32/69/564133269.db2.gz VCBWJDWXAWWSMM-UHFFFAOYSA-N 0 0 339.782 4.487 50 30 EIEARN Cc1cc(Br)cc(C)c1NC(=O)c1ccc(C#N)cc1F ZINC000000458968 564133274 /nfs/dbraw/zinc/13/32/74/564133274.db2.gz VKIPICGEIZOMOM-UHFFFAOYSA-N 0 0 347.187 4.329 50 30 EIEARN CC1CCN(c2ccccc2NC(=O)c2ccc(C#N)cc2F)CC1 ZINC000000558405 564133455 /nfs/dbraw/zinc/13/34/55/564133455.db2.gz XOEAEYODFJNGGZ-UHFFFAOYSA-N 0 0 337.398 4.186 50 30 EIEARN N#Cc1cccc(-c2ccc(C(=O)N3CCC4(CCCC4)C3)cc2)n1 ZINC000426549227 564135078 /nfs/dbraw/zinc/13/50/78/564135078.db2.gz XMPWFEFHCBKLDV-UHFFFAOYSA-N 0 0 331.419 4.027 50 30 EIEARN N#C[C@@]12CCCC[C@H]1C[C@H]1CCCC[C@]1(C#N)N2Cc1cccnc1 ZINC000013116347 564135975 /nfs/dbraw/zinc/13/59/75/564135975.db2.gz CQUGUAYZDBOGML-FXELSEDVSA-N 0 0 334.467 4.192 50 30 EIEARN Cc1[nH]nc2ncc(C(=O)Nc3cc(-c4ccccc4)cnc3C)cc12 ZINC000328586750 564136504 /nfs/dbraw/zinc/13/65/04/564136504.db2.gz XGXOUYZKOKDXQJ-UHFFFAOYSA-N 0 0 343.390 4.273 50 30 EIEARN N#CCOc1ccc(NC(=O)/C=C(/c2ccccc2)C(F)(F)F)cc1 ZINC000096189961 564145924 /nfs/dbraw/zinc/14/59/24/564145924.db2.gz HASLMRHBDOOEBT-VBKFSLOCSA-N 0 0 346.308 4.173 50 30 EIEARN O=C(/C=C\c1ccccc1OCc1cccnc1)c1ccc(O)cc1 ZINC000096401751 564147098 /nfs/dbraw/zinc/14/70/98/564147098.db2.gz MBSKSQYTVAXNLG-XFXZXTDPSA-N 0 0 331.371 4.262 50 30 EIEARN CC(C)(C)c1nc(C#N)c(NC[C@@H](c2ccco2)N2CCCCC2)o1 ZINC000027992943 564149919 /nfs/dbraw/zinc/14/99/19/564149919.db2.gz AFFGEMUZKLGNPV-HNNXBMFYSA-N 0 0 342.443 4.076 50 30 EIEARN CCCNc1c2ccccc2oc(=O)c1N/C([O-])=[NH+]/c1ccccc1 ZINC000028048664 564150197 /nfs/dbraw/zinc/15/01/97/564150197.db2.gz VYASGPOYNJDYGT-UHFFFAOYSA-N 0 0 337.379 4.273 50 30 EIEARN N#Cc1ccc(OCCn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000028192508 564150641 /nfs/dbraw/zinc/15/06/41/564150641.db2.gz QITCWLGDVYPONP-UHFFFAOYSA-N 0 0 331.297 4.006 50 30 EIEARN Cc1sc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)c(C#N)c1C ZINC000028227420 564150751 /nfs/dbraw/zinc/15/07/51/564150751.db2.gz CVGYSXUQENLXMR-GFCCVEGCSA-N 0 0 340.448 4.131 50 30 EIEARN N#Cc1c(NC(=O)c2cc(F)ccc2F)sc2c1CCCCC2 ZINC000002752142 564152453 /nfs/dbraw/zinc/15/24/53/564152453.db2.gz YWIBEJHGEDLCAU-UHFFFAOYSA-N 0 0 332.375 4.419 50 30 EIEARN N#Cc1cnn2c1N[C@H](c1ccc(Cl)s1)C[C@H]2C(F)(F)F ZINC000002752148 564152464 /nfs/dbraw/zinc/15/24/64/564152464.db2.gz BHCQXQHFDSPOJU-CBAPKCEASA-N 0 0 332.738 4.130 50 30 EIEARN CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000002790743 564152658 /nfs/dbraw/zinc/15/26/58/564152658.db2.gz DLUOGKHBRWYSSB-LBPRGKRZSA-N 0 0 340.448 4.396 50 30 EIEARN Cn1c(SCc2ccccc2C#N)nnc1-c1c[nH]c2ccccc12 ZINC000002881687 564152907 /nfs/dbraw/zinc/15/29/07/564152907.db2.gz ODNWJHRNOQCMEE-UHFFFAOYSA-N 0 0 345.431 4.127 50 30 EIEARN Cc1cc2nc3c(C#N)c4n(C)c5ccccc5n4c3nc2cc1C ZINC000003192109 564155827 /nfs/dbraw/zinc/15/58/27/564155827.db2.gz IKNLOVIIYYIFRD-UHFFFAOYSA-N 0 0 325.375 4.016 50 30 EIEARN Cc1ccc(-c2csc(NC(=O)COc3ccccc3C#N)n2)cc1 ZINC000003222440 564156186 /nfs/dbraw/zinc/15/61/86/564156186.db2.gz JYOMSCNEPTXNBC-UHFFFAOYSA-N 0 0 349.415 4.008 50 30 EIEARN C[C@H](/N=C1/SCCN1C(=O)CCc1ccccc1)c1ccccc1 ZINC000003333830 564157388 /nfs/dbraw/zinc/15/73/88/564157388.db2.gz MPGWSKDVOCHHRL-BZROSYFNSA-N 0 0 338.476 4.312 50 30 EIEARN N#Cc1ccccc1NC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000003350389 564157613 /nfs/dbraw/zinc/15/76/13/564157613.db2.gz RHRSIHDVYUKRNZ-UHFFFAOYSA-N 0 0 336.338 4.308 50 30 EIEARN N#Cc1ccsc1NC(=O)c1ccc(COc2ccccc2F)o1 ZINC000058244513 564158198 /nfs/dbraw/zinc/15/81/98/564158198.db2.gz UHSGYADZAXLLEV-UHFFFAOYSA-N 0 0 342.351 4.183 50 30 EIEARN CCN(C(=O)Nc1cccc(C(C)=O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000058277671 564158316 /nfs/dbraw/zinc/15/83/16/564158316.db2.gz UICXFGCZWSGMIO-AWEZNQCLSA-N 0 0 335.407 4.376 50 30 EIEARN Cc1sc2ncn(N=Cc3cccc4ccccc34)c(=O)c2c1C ZINC000245285191 564168967 /nfs/dbraw/zinc/16/89/67/564168967.db2.gz WIPICZXRFHMUSO-UHFFFAOYSA-N 0 0 333.416 4.110 50 30 EIEARN N#CCCCOc1cccnc1NC(=O)Cc1cccc2ccccc21 ZINC000069457829 564169696 /nfs/dbraw/zinc/16/96/96/564169696.db2.gz XEDPECJLQBFGQQ-UHFFFAOYSA-N 0 0 345.402 4.099 50 30 EIEARN COCc1c2ccccc2sc1C(=O)N(C)c1cccc(C#N)c1 ZINC000069700763 564171609 /nfs/dbraw/zinc/17/16/09/564171609.db2.gz VCERCCZKDLKRPS-UHFFFAOYSA-N 0 0 336.416 4.196 50 30 EIEARN C[C@@H](C#N)CSc1ccccc1NC(=O)COC1CCCCC1 ZINC000069737500 564171774 /nfs/dbraw/zinc/17/17/74/564171774.db2.gz PGRZGRFUNHNPKD-AWEZNQCLSA-N 0 0 332.469 4.226 50 30 EIEARN N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000070032723 564173416 /nfs/dbraw/zinc/17/34/16/564173416.db2.gz MZANEIGGLAHDEH-AGIUHOORSA-N 0 0 331.202 4.368 50 30 EIEARN CCc1cccc2c(C3=CCN(c4ccc(C#N)cn4)CC3)c[nH]c21 ZINC000071834321 564175756 /nfs/dbraw/zinc/17/57/56/564175756.db2.gz RAJDQDBEKVHELI-UHFFFAOYSA-N 0 0 328.419 4.291 50 30 EIEARN CC(C)c1cc(NCc2ccccn2)n2c3ccccc3nc2c1C#N ZINC000000352632 568422613 /nfs/dbraw/zinc/42/26/13/568422613.db2.gz MRFMYYJUNGLQSO-UHFFFAOYSA-N 0 0 341.418 4.490 50 30 EIEARN COC(=O)c1occc1/C=C/C(=O)c1ccc2cc(OC)ccc2c1 ZINC000013013255 1019549823 /nfs/dbraw/zinc/54/98/23/1019549823.db2.gz ZEYKVEVEISSUBH-SOFGYWHQSA-N 0 0 336.343 4.124 50 30 EIEARN Cc1cccc2c1OCC/C(=C/c1ccc(-n3cccn3)cc1)C2=O ZINC000024355124 1022467818 /nfs/dbraw/zinc/46/78/18/1022467818.db2.gz LDBFDLQUMOKIRT-VKAVYKQESA-N 0 0 330.387 4.230 50 30 EIEARN COc1ccc(C(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 ZINC000096766205 1022522756 /nfs/dbraw/zinc/52/27/56/1022522756.db2.gz WIJMIAMNBXPXTG-YWEYNIOJSA-N 0 0 347.754 4.162 50 30 EIEARN COc1cc(/C=C\C(=O)c2ccc(F)c(Cl)c2)ccc1OCC#N ZINC000098008727 1023191542 /nfs/dbraw/zinc/19/15/42/1023191542.db2.gz CEIJKDNFKYTYCE-KXFIGUGUSA-N 0 0 345.757 4.286 50 30 EIEARN COc1ccc(C(=O)/C=C\c2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC000098053774 1023226845 /nfs/dbraw/zinc/22/68/45/1023226845.db2.gz KLBMEPNVZBRXFG-CLTKARDFSA-N 0 0 347.754 4.162 50 30 EIEARN C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2C#N)O1 ZINC000332212827 1023890535 /nfs/dbraw/zinc/89/05/35/1023890535.db2.gz VHZGWENPSZVGTP-OZVIIMIRSA-N 0 0 326.421 4.039 50 30 EIEARN Fc1cccc(F)c1-c1csc(CON=C2CCCOCC2)n1 ZINC000588510440 1026413478 /nfs/dbraw/zinc/41/34/78/1026413478.db2.gz CPTVFSKSYYZOHX-UHFFFAOYSA-N 0 0 338.379 4.161 50 30 EIEARN COc1ccc(Br)cc1/C=C/C(=O)c1cccc(O)c1 ZINC000013141342 1031467712 /nfs/dbraw/zinc/46/77/12/1031467712.db2.gz UPQQJGDVDCVCKK-FNORWQNLSA-N 0 0 333.181 4.059 50 30 EIEARN O=C(/C=C/c1ccc(N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000015544549 1034437334 /nfs/dbraw/zinc/43/73/34/1034437334.db2.gz RDLNYZMVSPEVOC-FMIVXFBMSA-N 0 0 336.391 4.481 50 30 EIEARN COc1cc(/C=C\C(=O)c2ccc3ccccc3c2)cc(OC)c1O ZINC000096766529 1041611275 /nfs/dbraw/zinc/61/12/75/1041611275.db2.gz DUAZQAKEZDXYDV-YFHOEESVSA-N 0 0 334.371 4.459 50 30 EIEARN CN(C)N=C/C=C1\CCC/C(=C\c2ccc(Br)cc2)C1=O ZINC000606347738 1043067559 /nfs/dbraw/zinc/06/75/59/1043067559.db2.gz WNLYOMKRZVPKDH-JQYZFIOWSA-N 0 0 347.256 4.059 50 30 EIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COc1ccc(CC#N)cc1 ZINC000032736577 1045930148 /nfs/dbraw/zinc/93/01/48/1045930148.db2.gz GJRXWQVVYMCKRQ-STZFKDTASA-N 0 0 346.430 4.012 50 30 EIEARN N#Cc1ccc(COC(=O)/C=C\c2cccc(C(F)(F)F)c2)cc1 ZINC000033399775 1047138630 /nfs/dbraw/zinc/13/86/30/1047138630.db2.gz WMYBGJGELIAZIO-HJWRWDBZSA-N 0 0 331.293 4.334 50 30 EIEARN CNc1ccc(/C=C2/CSc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000033530643 1047415462 /nfs/dbraw/zinc/41/54/62/1047415462.db2.gz VELUJHIDYSOBEH-WQLSENKSSA-N 0 0 326.377 4.009 50 30 EIEARN C#CCCC1(CCC(=O)Nc2ccc3c(c2)CCC2(CCC2)O3)N=N1 ZINC000952879720 1049678434 /nfs/dbraw/zinc/67/84/34/1049678434.db2.gz AKZBXBGBTCBIHX-UHFFFAOYSA-N 0 0 337.423 4.229 50 30 EIEARN C#CCCC1(CCC(=O)Nc2ccc(N3CCCCC3)c(F)c2)N=N1 ZINC000952880699 1049682144 /nfs/dbraw/zinc/68/21/44/1049682144.db2.gz IDLUYPCNEDEDMP-UHFFFAOYSA-N 0 0 342.418 4.110 50 30 EIEARN CCOC(=O)c1cccc(NC=CC(=O)c2ccc(OCC)cc2)c1 ZINC000051318816 214089340 /nfs/dbraw/zinc/08/93/40/214089340.db2.gz LTLMVCVJANJOGY-OUKQBFOZSA-N 0 0 339.391 4.071 50 30 EIEARN C[C@@H](Nc1snc(Cl)c1C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000051823605 214104857 /nfs/dbraw/zinc/10/48/57/214104857.db2.gz MJDWPOKQVUNVEO-SECBINFHSA-N 0 0 346.843 4.190 50 30 EIEARN C=CCN(Cc1ccc(C)s1)C(=O)c1c[nH]c(-c2ccccc2)n1 ZINC000055167100 214281890 /nfs/dbraw/zinc/28/18/90/214281890.db2.gz BFSGUODUWJLTJM-UHFFFAOYSA-N 0 0 337.448 4.275 50 30 EIEARN N#Cc1ccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 ZINC000097987503 219065961 /nfs/dbraw/zinc/06/59/61/219065961.db2.gz BARXQYGRXFDEHI-VIZOYTHASA-N 0 0 343.169 4.210 50 30 EIEARN CCCCCCCOc1ccc(C(=O)Nc2nnc(C)s2)cc1 ZINC000097998411 219067214 /nfs/dbraw/zinc/06/72/14/219067214.db2.gz JNAYJMUHAYBCAQ-UHFFFAOYSA-N 0 0 333.457 4.448 50 30 EIEARN COc1cccc(/C=N/c2ccc3oc(-c4cccnc4)nc3c2)c1O ZINC000098086928 219082159 /nfs/dbraw/zinc/08/21/59/219082159.db2.gz ZHTNQHOOCDTPQQ-WSDLNYQXSA-N 0 0 345.358 4.355 50 30 EIEARN COc1ccc(C=NN=c2[nH]c3ccc(C)cc3s2)cc1OC ZINC000098086971 219082390 /nfs/dbraw/zinc/08/23/90/219082390.db2.gz UBHBXSRUGJJQIR-VCHYOVAHSA-N 0 0 327.409 4.068 50 30 EIEARN Cc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)c2nccs2)cc1 ZINC000004529985 210214684 /nfs/dbraw/zinc/21/46/84/210214684.db2.gz NWAKSLWLGSRJFW-GHRIWEEISA-N 0 0 348.427 4.105 50 30 EIEARN O=C1CC[C@@H](c2ccccc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000100217404 219094964 /nfs/dbraw/zinc/09/49/64/219094964.db2.gz KOYLONWZCFGICS-BQGMYUGNSA-N 0 0 325.795 4.352 50 30 EIEARN Cc1cccc(-n2c(Cc3ccccc3)nnc2S[C@@H](C)C#N)c1 ZINC000004491123 210202356 /nfs/dbraw/zinc/20/23/56/210202356.db2.gz AQAJSLFTDRBHNH-HNNXBMFYSA-N 0 0 334.448 4.171 50 30 EIEARN Cn1c(-c2cccc(O)c2)cs/c1=N/N=C/c1ccccc1Cl ZINC000004453592 210193483 /nfs/dbraw/zinc/19/34/83/210193483.db2.gz MWJFPKRKQMZJRP-HPCQOMFASA-N 0 0 343.839 4.047 50 30 EIEARN N#Cc1ccccc1Cn1cc(C(=O)C(F)(F)F)c2ccccc21 ZINC000004450652 210193298 /nfs/dbraw/zinc/19/32/98/210193298.db2.gz QNFDTXUKCWAFNS-UHFFFAOYSA-N 0 0 328.293 4.306 50 30 EIEARN C=CCN1C[C@@H](c2nc3ccccc3n2[C@@H](C)c2ccccc2)CC1=O ZINC000004385978 210184469 /nfs/dbraw/zinc/18/44/69/210184469.db2.gz PDRSNNPCDJAQDP-WMZOPIPTSA-N 0 0 345.446 4.148 50 30 EIEARN Cc1ccccc1Nc1nc(C#N)c(C#N)nc1Nc1ccccc1C ZINC000004338015 210174449 /nfs/dbraw/zinc/17/44/49/210174449.db2.gz APNDVFRGKMQOPD-UHFFFAOYSA-N 0 0 340.390 4.324 50 30 EIEARN Cn1c(SCc2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1 ZINC000004287214 210161939 /nfs/dbraw/zinc/16/19/39/210161939.db2.gz VWHSFQRYTVEMAH-UHFFFAOYSA-N 0 0 340.839 4.299 50 30 EIEARN COc1cc(OC)c(C(=O)/C=C/c2ccc(Cl)cc2)c(OC)c1 ZINC000004193806 210144103 /nfs/dbraw/zinc/14/41/03/210144103.db2.gz KLMMUYXZWHIJCG-RMKNXTFCSA-N 0 0 332.783 4.262 50 30 EIEARN O=[N+]([O-])c1cccc(-c2ccc(C=NN=c3[nH]c4ccccc4[nH]3)o2)c1 ZINC000004149720 210132922 /nfs/dbraw/zinc/13/29/22/210132922.db2.gz VIXZVMOUWRERLG-YBFXNURJSA-N 0 0 347.334 4.177 50 30 EIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CCOc3ccccc3)sc2C1 ZINC000004076624 210113305 /nfs/dbraw/zinc/11/33/05/210113305.db2.gz NNAXAHCJSXPKKG-CYBMUJFWSA-N 0 0 340.448 4.152 50 30 EIEARN Cc1ccsc1-c1ncnn1-c1sc2c(c1C#N)CCCC2 ZINC000004030572 210104852 /nfs/dbraw/zinc/10/48/52/210104852.db2.gz GFDJZMCMJNJNGT-UHFFFAOYSA-N 0 0 326.450 4.116 50 30 EIEARN CN(/N=C/c1cccc(C(F)(F)F)c1)c1cnc2ccccc2n1 ZINC000003909586 210091039 /nfs/dbraw/zinc/09/10/39/210091039.db2.gz LGRBTFYNYAUPIX-LSHDLFTRSA-N 0 0 330.313 4.119 50 30 EIEARN N#Cc1cccc(OCC(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000003408402 210031549 /nfs/dbraw/zinc/03/15/49/210031549.db2.gz NXSDCAKWAFZLLO-UHFFFAOYSA-N 0 0 344.370 4.368 50 30 EIEARN N#Cc1ccc(OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 ZINC000003304768 210001581 /nfs/dbraw/zinc/00/15/81/210001581.db2.gz BVKCVDVNAIKYSR-UHFFFAOYSA-N 0 0 325.367 4.391 50 30 EIEARN CC(=O)/C(=C/c1ccc(Br)cc1)C(=O)Nc1ccccc1 ZINC000003305223 210002299 /nfs/dbraw/zinc/00/22/99/210002299.db2.gz RUTQFZNIROGOHK-WJDWOHSUSA-N 0 0 344.208 4.060 50 30 EIEARN C#CCOc1ccc2c(c1)c(C(C)=O)c(C)n2CCc1ccccc1 ZINC000003255993 209990704 /nfs/dbraw/zinc/99/07/04/209990704.db2.gz MKCQMIUYULHJOF-UHFFFAOYSA-N 0 0 331.415 4.407 50 30 EIEARN C=CCNc1nc(-c2ccncc2)nc(-c2ccc(Cl)cc2)c1C#N ZINC000003029404 209956297 /nfs/dbraw/zinc/95/62/97/209956297.db2.gz HQJGZBOXBMKVNU-UHFFFAOYSA-N 0 0 347.809 4.329 50 30 EIEARN COc1cc(C#N)cc(Br)c1OCc1ccccc1F ZINC000002878024 209934782 /nfs/dbraw/zinc/93/47/82/209934782.db2.gz GRTCDMCOOIZXAS-UHFFFAOYSA-N 0 0 336.160 4.047 50 30 EIEARN CCN(CC)c1ccc(/C=N/c2nc3c(s2)CCCC3)c(O)c1 ZINC000103447803 219299700 /nfs/dbraw/zinc/29/97/00/219299700.db2.gz QCMGDEUWCOQNNB-XDHOZWIPSA-N 0 0 329.469 4.324 50 30 EIEARN Cc1cccc([C@@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)c1 ZINC000103734914 219321980 /nfs/dbraw/zinc/32/19/80/219321980.db2.gz QOPZQWAVRPVEJS-IBGZPJMESA-N 0 0 341.410 4.297 50 30 EIEARN C=C(C)CSc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000002619524 209874519 /nfs/dbraw/zinc/87/45/19/209874519.db2.gz HGTUSTMMRHOSMH-UHFFFAOYSA-N 0 0 326.396 4.193 50 30 EIEARN CCc1cc(Oc2cccc(C#N)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000040155606 213274355 /nfs/dbraw/zinc/27/43/55/213274355.db2.gz QQJFFDPOMVDTAP-UHFFFAOYSA-N 0 0 346.346 4.278 50 30 EIEARN COc1ccc2c(c1)CC/C(=C/c1csc(-c3ccccn3)n1)C2=O ZINC000040139692 213271099 /nfs/dbraw/zinc/27/10/99/213271099.db2.gz JBQFSYYZHLYHRO-UVTDQMKNSA-N 0 0 348.427 4.426 50 30 EIEARN Cc1ccc(NC(=O)c2ccc(C#CC(C)(C)O)s2)cc1Cl ZINC000001426748 209746327 /nfs/dbraw/zinc/74/63/27/209746327.db2.gz KKVVKJHJWNNIAP-UHFFFAOYSA-N 0 0 333.840 4.085 50 30 EIEARN Cc1cc(O)ccc1NC=CC(=O)c1ccc(Br)cc1 ZINC000000464582 209617619 /nfs/dbraw/zinc/61/76/19/209617619.db2.gz FEEVYJBVUFFCRG-CMDGGOBGSA-N 0 0 332.197 4.272 50 30 EIEARN N#Cc1ccccc1C(=O)N1CCC[C@H](CCc2ccccc2F)C1 ZINC000071575832 215787318 /nfs/dbraw/zinc/78/73/18/215787318.db2.gz GXKIKSJMANOCSW-MRXNPFEDSA-N 0 0 336.410 4.182 50 30 EIEARN N#CCOc1ccc(C(=O)/C=C\c2ccc(Br)cc2)cc1 ZINC000033469989 212941112 /nfs/dbraw/zinc/94/11/12/212941112.db2.gz VEFOAUFISKLFNN-KMKOMSMNSA-N 0 0 342.192 4.248 50 30 EIEARN O=C(Nc1nnc2ccccn21)c1cc2c(s1)CCCCCC2 ZINC000031805795 212748758 /nfs/dbraw/zinc/74/87/58/212748758.db2.gz OJKQBHCKCCRWAY-UHFFFAOYSA-N 0 0 326.425 4.086 50 30 EIEARN C=CCn1c(SCc2ccccc2)nc2sc(C)cc2c1=O ZINC000000250193 209503436 /nfs/dbraw/zinc/50/34/36/209503436.db2.gz RKCVKFKGQKJEBW-UHFFFAOYSA-N 0 0 328.462 4.245 50 30 EIEARN C[C@H]1CCc2c(C#N)c(NC(=O)CSc3ccccc3)sc2C1 ZINC000000143021 209447915 /nfs/dbraw/zinc/44/79/15/209447915.db2.gz HGCGXVIMGMKVHX-LBPRGKRZSA-N 0 0 342.489 4.475 50 30 EIEARN C[C@@H]1CCc2c(C#N)c(/N=C/c3cc([N+](=O)[O-])cs3)sc2C1 ZINC000000062026 209395593 /nfs/dbraw/zinc/39/55/93/209395593.db2.gz DTLUXXAFUHHKCY-KFPHLYOZSA-N 0 0 331.422 4.465 50 30 EIEARN CCOC(=O)c1ccc(/N=C/c2ccc(Br)cc2)cc1 ZINC000000061350 209394164 /nfs/dbraw/zinc/39/41/64/209394164.db2.gz GHJZIZKKDBCAKV-WOJGMQOQSA-N 0 0 332.197 4.376 50 30 EIEARN CN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)sc1Cl ZINC000025103390 212459769 /nfs/dbraw/zinc/45/97/69/212459769.db2.gz KPFOAUPHJSWCTN-UHFFFAOYSA-N 0 0 325.220 4.199 50 30 EIEARN Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cccc(C#N)c1 ZINC000073898844 216434652 /nfs/dbraw/zinc/43/46/52/216434652.db2.gz MDMJGFYPRKECQG-UHFFFAOYSA-N 0 0 333.416 4.166 50 30 EIEARN C=C(C)CN1C(=O)/C(=C\c2cccc3cccnc23)SC1=S ZINC000023624125 212385820 /nfs/dbraw/zinc/38/58/20/212385820.db2.gz QGYSBKGQTZXYEM-NTEUORMPSA-N 0 0 326.446 4.012 50 30 EIEARN Cc1c(C#N)c(N)c(C(=O)c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000022779430 212324228 /nfs/dbraw/zinc/32/42/28/212324228.db2.gz BTSFKVKRHQCXKO-UHFFFAOYSA-N 0 0 335.794 4.124 50 30 EIEARN C=CCNC(=O)c1cncn1-c1ccc(-c2cc(C)cc(C)c2)cc1 ZINC000022655133 212314316 /nfs/dbraw/zinc/31/43/16/212314316.db2.gz KJXZJOWGYGADBB-UHFFFAOYSA-N 0 0 331.419 4.072 50 30 EIEARN Cc1nc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)c(C#N)cc1C(=O)[O-] ZINC000215691953 241140329 /nfs/dbraw/zinc/14/03/29/241140329.db2.gz KZZBTGZLBMHDQT-OAHLLOKOSA-N 0 0 349.434 4.174 50 30 EIEARN C=CCn1c(=O)sc2cc(NC(=O)CC3CCCCC3)ccc21 ZINC000021354930 212222223 /nfs/dbraw/zinc/22/22/23/212222223.db2.gz ZCEOLYYNJCARKQ-UHFFFAOYSA-N 0 0 330.453 4.158 50 30 EIEARN CCc1nc(NCCc2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000020791194 212171996 /nfs/dbraw/zinc/17/19/96/212171996.db2.gz DEKWANPCCRAVSM-UHFFFAOYSA-N 0 0 335.451 4.022 50 30 EIEARN CC(C)c1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](C)C)C2=O)cc1 ZINC000020624544 212157081 /nfs/dbraw/zinc/15/70/81/212157081.db2.gz ZQXOMSIWUUQWDQ-ODLFYWEKSA-N 0 0 337.419 4.193 50 30 EIEARN C/C(=N/N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000020190468 212109279 /nfs/dbraw/zinc/10/92/79/212109279.db2.gz RXUJMBIGYUEQJD-JCMHNJIXSA-N 0 0 345.849 4.021 50 30 EIEARN Clc1cccc(Cl)c1/C=N/N1CCN(Cc2ccccc2)CC1 ZINC000019771325 212063710 /nfs/dbraw/zinc/06/37/10/212063710.db2.gz HWOCHRTUARLXGS-FYJGNVAPSA-N 0 0 348.277 4.145 50 30 EIEARN CCCc1nc(N)c(C#N)c(-c2cccc(Br)c2)c1CC ZINC000019731043 212058614 /nfs/dbraw/zinc/05/86/14/212058614.db2.gz JAKLHHDIUOMZGW-UHFFFAOYSA-N 0 0 344.256 4.480 50 30 EIEARN C=CCn1ccc(-c2cccc(-c3ccc(-c4nc(C)no4)cn3)c2)n1 ZINC000019113065 212000314 /nfs/dbraw/zinc/00/03/14/212000314.db2.gz IIQGMMPWEXJCSY-UHFFFAOYSA-N 0 0 343.390 4.157 50 30 EIEARN C[C@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000079335613 217210410 /nfs/dbraw/zinc/21/04/10/217210410.db2.gz QMBTXRYMOBGQID-INIZCTEOSA-N 0 0 349.434 4.205 50 30 EIEARN CN1N=C(c2ccc3c(c2)CCC3)CS/C1=N\Cc1ccccc1 ZINC000015406239 211821507 /nfs/dbraw/zinc/82/15/07/211821507.db2.gz FRBBOCJKOUKDKK-MRCUWXFGSA-N 0 0 335.476 4.114 50 30 EIEARN CC(=O)c1cc(C#N)c(SCCOc2ccccc2Cl)nc1C ZINC000012808249 211461476 /nfs/dbraw/zinc/46/14/76/211461476.db2.gz AIYOLDKSRSXMFH-UHFFFAOYSA-N 0 0 346.839 4.289 50 30 EIEARN N#Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Cl ZINC000012753854 211445858 /nfs/dbraw/zinc/44/58/58/211445858.db2.gz RGQOSBYBURIILQ-UHFFFAOYSA-N 0 0 336.134 4.026 50 30 EIEARN C=CCOc1ccc(/C=C2\SC(N3CCCCCC3)=NC2=O)cc1 ZINC000012436754 211379920 /nfs/dbraw/zinc/37/99/20/211379920.db2.gz QPXRIBDTVILOFE-VKAVYKQESA-N 0 0 342.464 4.098 50 30 EIEARN O=C1/C(=N/c2cc(Cl)cc(Cl)c2)c2cccc3c2N1CCC3 ZINC000012406256 211370380 /nfs/dbraw/zinc/37/03/80/211370380.db2.gz FIFYPHPMLGYWIZ-HMMYKYKNSA-N 0 0 331.202 4.407 50 30 EIEARN N#Cc1ccccc1NC(=O)CNc1ccccc1-c1ccccc1 ZINC000011618639 211226171 /nfs/dbraw/zinc/22/61/71/211226171.db2.gz HALZKFIGKKPXPQ-UHFFFAOYSA-N 0 0 327.387 4.276 50 30 EIEARN COc1ccc(OC)c([C@H]2CCCN2Cc2ccc(C#N)cc2F)c1 ZINC000011436508 211215991 /nfs/dbraw/zinc/21/59/91/211215991.db2.gz ZCKYGTOIKMQORW-LJQANCHMSA-N 0 0 340.398 4.052 50 30 EIEARN C=CCN(C(=O)/C=C/c1csc(C)n1)c1nc2c(s1)CCCC2 ZINC000010642934 211183694 /nfs/dbraw/zinc/18/36/94/211183694.db2.gz WLLWWWOHGRLNDU-CMDGGOBGSA-N 0 0 345.493 4.019 50 30 EIEARN N#Cc1ccc(CSc2nccc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000009970842 211138078 /nfs/dbraw/zinc/13/80/78/211138078.db2.gz WPZLYPORVLEEEF-UHFFFAOYSA-N 0 0 347.399 4.036 50 30 EIEARN Cn1c(SCC#N)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000009944430 211135402 /nfs/dbraw/zinc/13/54/02/211135402.db2.gz ZTALGWUAWHETBG-LBPRGKRZSA-N 0 0 346.525 4.310 50 30 EIEARN C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4cccc(C#N)c4)cc3c2C1 ZINC000009856070 211129218 /nfs/dbraw/zinc/12/92/18/211129218.db2.gz YLEXRKUBAQWCIF-CYBMUJFWSA-N 0 0 329.403 4.417 50 30 EIEARN CC(C)(C)OC(=O)n1cc(CC#N)c2cc(Br)ccc21 ZINC000095218163 218282902 /nfs/dbraw/zinc/28/29/02/218282902.db2.gz NSVUMQIOUNYINP-UHFFFAOYSA-N 0 0 335.201 4.253 50 30 EIEARN Cc1ccccc1/N=C1\NC(=O)/C(=C/c2cn(C)c3ccccc23)S1 ZINC000009016038 211031060 /nfs/dbraw/zinc/03/10/60/211031060.db2.gz ZUAQPVQHUSBJND-WQRHYEAKSA-N 0 0 347.443 4.378 50 30 EIEARN CCC(=O)C1=C(Nc2ccc(OC)cc2)C[C@H](c2ccccc2)CC1=O ZINC000008773289 211003133 /nfs/dbraw/zinc/00/31/33/211003133.db2.gz HAVWZLVEMPJTIP-INIZCTEOSA-N 0 0 349.430 4.487 50 30 EIEARN N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1N1CCCCC1 ZINC000008654579 210977010 /nfs/dbraw/zinc/97/70/10/210977010.db2.gz BCTIUMIDGXSDDO-UHFFFAOYSA-N 0 0 349.390 4.376 50 30 EIEARN COc1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1F ZINC000007336029 210784278 /nfs/dbraw/zinc/78/42/78/210784278.db2.gz KNVNYNKSTTVXTF-XBXARRHUSA-N 0 0 335.172 4.493 50 30 EIEARN O=C(c1cccc(Cl)c1)N1CCCS/C1=N\Cc1ccccc1 ZINC000006784486 210710340 /nfs/dbraw/zinc/71/03/40/210710340.db2.gz XNVKYQWTIYMRFD-ZZEZOPTASA-N 0 0 344.867 4.475 50 30 EIEARN CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 ZINC000006052739 210582450 /nfs/dbraw/zinc/58/24/50/210582450.db2.gz BFPHFLRCQDCURQ-IBGZPJMESA-N 0 0 348.446 4.495 50 30 EIEARN O=C(/C=C/c1ccc2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 ZINC000006048960 210581448 /nfs/dbraw/zinc/58/14/48/210581448.db2.gz RXYAUWFGKKGERQ-GQCTYLIASA-N 0 0 334.293 4.373 50 30 EIEARN C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1cccc(C#N)c1 ZINC000005629208 210505245 /nfs/dbraw/zinc/50/52/45/210505245.db2.gz RJULKAHAZXBKKO-NSHDSACASA-N 0 0 339.445 4.287 50 30 EIEARN C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1cccc(C#N)c1 ZINC000005629210 210504779 /nfs/dbraw/zinc/50/47/79/210504779.db2.gz RJULKAHAZXBKKO-LLVKDONJSA-N 0 0 339.445 4.287 50 30 EIEARN CN(C)c1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1 ZINC000005173047 210406482 /nfs/dbraw/zinc/40/64/82/210406482.db2.gz QUABCQYORDWCJX-LFYBBSHMSA-N 0 0 330.225 4.411 50 30 EIEARN CCOC(=O)c1oc2c(c1C)C(=O)/C(=C\c1ccccc1F)CC2 ZINC000097073334 218938386 /nfs/dbraw/zinc/93/83/86/218938386.db2.gz NVKRLBNDSJVNFM-RAXLEYEMSA-N 0 0 328.339 4.116 50 30 EIEARN C=CCOc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000005068613 210381748 /nfs/dbraw/zinc/38/17/48/210381748.db2.gz BCQVVPKKCQIBJB-VQHVLOKHSA-N 0 0 339.347 4.064 50 30 EIEARN CCOC(=O)[C@H](C#N)[C@H](c1ccc(C)cc1)[C@H]1CCO[C@](C)(CC)C1 ZINC000005068072 210381611 /nfs/dbraw/zinc/38/16/11/210381611.db2.gz AAVPTEIKESEQEC-QEUVDIPISA-N 0 0 343.467 4.377 50 30 EIEARN CCOC(=O)[C@H](C#N)[C@H](c1ccc(C)cc1)[C@@H]1CCO[C@@](C)(CC)C1 ZINC000005068065 210381084 /nfs/dbraw/zinc/38/10/84/210381084.db2.gz AAVPTEIKESEQEC-XCJLJZCSSA-N 0 0 343.467 4.377 50 30 EIEARN O=C(C=CNc1ccc(Br)cn1)c1ccc(Cl)cc1 ZINC000004981983 210348568 /nfs/dbraw/zinc/34/85/68/210348568.db2.gz NTYVBYRXRZBYBZ-FPLPWBNLSA-N 0 0 337.604 4.306 50 30 EIEARN CN(Cc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1C#N ZINC000004905154 210318536 /nfs/dbraw/zinc/31/85/36/210318536.db2.gz LZTGBFPLVGBWCL-UHFFFAOYSA-N 0 0 335.285 4.122 50 30 EIEARN CCOc1ccc(/C=C/c2nc(C#N)c(NCc3cccnc3)o2)cc1 ZINC000004839571 210294647 /nfs/dbraw/zinc/29/46/47/210294647.db2.gz QPMFSAGQHWBCCS-JXMROGBWSA-N 0 0 346.390 4.122 50 30 EIEARN N#CCOc1ccccc1[C@@H]1CC(=O)Nc2c3ccccc3ccc21 ZINC000004838248 210293964 /nfs/dbraw/zinc/29/39/64/210293964.db2.gz GUSAKBZUZMXZSS-SFHVURJKSA-N 0 0 328.371 4.216 50 30 EIEARN O=C1Nc2ccc3c4ccccc4oc3c2C1=NNc1ccccc1 ZINC000004827615 210289503 /nfs/dbraw/zinc/28/95/03/210289503.db2.gz GTRSBTZRTWVRCS-UHFFFAOYSA-N 0 0 327.343 4.354 50 30 EIEARN COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC ZINC000004754756 210271138 /nfs/dbraw/zinc/27/11/38/210271138.db2.gz CPSNPLOZNRUVSJ-CMDGGOBGSA-N 0 0 326.392 4.225 50 30 EIEARN CN(C)c1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 ZINC000004750619 210270844 /nfs/dbraw/zinc/27/08/44/210270844.db2.gz SPZVDSYBFZXQNI-LFYBBSHMSA-N 0 0 330.225 4.411 50 30 EIEARN CC(C)c1ccc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 ZINC000004753256 210270068 /nfs/dbraw/zinc/27/00/68/210270068.db2.gz YAASJZHMOCUIBP-KRWDZBQOSA-N 0 0 346.382 4.174 50 30 EIEARN COc1cc(/C=C/C(=O)c2ccc(F)c(Cl)c2)ccc1OCC#N ZINC000040140040 257835769 /nfs/dbraw/zinc/83/57/69/257835769.db2.gz CEIJKDNFKYTYCE-QHHAFSJGSA-N 0 0 345.757 4.286 50 30 EIEARN C=CC(=O)N[C@H](CC)c1noc(-c2cccc(Br)c2)n1 ZINC000328600330 258041705 /nfs/dbraw/zinc/04/17/05/258041705.db2.gz WYOBKTARHKOTQZ-LLVKDONJSA-N 0 0 336.189 4.093 50 30 EIEARN O=C(Cc1csc(-c2ccccc2)n1)NCc1cnc(C2CC2)o1 ZINC000328597947 258041815 /nfs/dbraw/zinc/04/18/15/258041815.db2.gz JOPFBINKGHQJHC-UHFFFAOYSA-N 0 0 339.420 4.375 50 30 EIEARN CNc1ccc(/C=C/c2cc(Cl)nc(Cl)c2C#N)cc1[N+](=O)[O-] ZINC000328593155 258043897 /nfs/dbraw/zinc/04/38/97/258043897.db2.gz KJLFWKRNSOCOPF-DUXPYHPUSA-N 0 0 349.177 4.380 50 30 EIEARN CC(C)n1ncnc1CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000328588647 258045130 /nfs/dbraw/zinc/04/51/30/258045130.db2.gz TVAIOROLMCHDLR-MRXNPFEDSA-N 0 0 345.450 4.248 50 30 EIEARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cnc(C)s1 ZINC000330031941 258003184 /nfs/dbraw/zinc/00/31/84/258003184.db2.gz GKXUJMHOXOXEOX-OAHLLOKOSA-N 0 0 342.424 4.109 50 30 EIEARN C=CCSc1nnc(-c2ccccc2F)n1-c1ccc(OC)cc1 ZINC000004184590 258047048 /nfs/dbraw/zinc/04/70/48/258047048.db2.gz JZRIUOCXYAOMRP-UHFFFAOYSA-N 0 0 341.411 4.360 50 30 EIEARN C=C(C)CSc1nnc([C@H](NC(=O)OC(C)(C)C)[C@H](C)CC)o1 ZINC000015974990 258017199 /nfs/dbraw/zinc/01/71/99/258017199.db2.gz UZOFRBHEEZZUOK-VXGBXAGGSA-N 0 0 341.477 4.350 50 30 EIEARN N#C[C@@H](Cc1ccccc1)Sc1nnc(C2CC2)n1-c1ccccc1 ZINC000006609944 258052354 /nfs/dbraw/zinc/05/23/54/258052354.db2.gz 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/nfs/dbraw/zinc/78/04/93/518780493.db2.gz WPFZBKSNMBNCLE-UHFFFAOYSA-N 0 0 348.855 4.188 50 30 EIEARN C=CCSc1ccccc1NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000041776939 519077187 /nfs/dbraw/zinc/07/71/87/519077187.db2.gz RQDUQWPNPKVRNS-UHFFFAOYSA-N 0 0 345.468 4.217 50 30 EIEARN CCCOc1ccccc1/C=N/NC(=S)Nc1ccc(C)c(C)c1 ZINC000004347956 520471503 /nfs/dbraw/zinc/47/15/03/520471503.db2.gz COJRIIFRQQAVQZ-DEDYPNTBSA-N 0 0 341.480 4.413 50 30 EIEARN CCOc1ccc(C(=O)/C=C/c2ccc(OC3CSC3)cc2)cc1 ZINC000004851642 520871799 /nfs/dbraw/zinc/87/17/99/520871799.db2.gz YJFVQFWNUACWQA-LFYBBSHMSA-N 0 0 340.444 4.476 50 30 EIEARN CN(C)/C=C/C(=O)/C(=C/c1ccccc1)Oc1ccc(Cl)cc1 ZINC000005912256 523968466 /nfs/dbraw/zinc/96/84/66/523968466.db2.gz JFDSVFCFRDKETD-OZGAEJQKSA-N 0 0 327.811 4.404 50 30 EIEARN COc1ccc(Cl)cc1NC=CC(=O)c1ccc(OC)c(OC)c1 ZINC000000479042 524216496 /nfs/dbraw/zinc/21/64/96/524216496.db2.gz NOAVZPQLDMYLAI-CMDGGOBGSA-N 0 0 347.798 4.174 50 30 EIEARN COc1ccccc1/C=N/NC(=N)SC/C=C/c1ccccc1 ZINC000005361781 524324731 /nfs/dbraw/zinc/32/47/31/524324731.db2.gz PMUSXNXSNDTRPE-GNOZBYDYSA-N 0 0 325.437 4.000 50 30 EIEARN COc1ccccc1C=CC=NN1C(=S)N=NC1C1CCCCC1 ZINC000252429417 524325367 /nfs/dbraw/zinc/32/53/67/524325367.db2.gz LZIPXNVTYQCQDR-LULDBNCYSA-N 0 0 342.468 4.170 50 30 EIEARN Cc1ccccc1CSCC(=O)Nc1ccccc1SCC#N ZINC000005368113 525183222 /nfs/dbraw/zinc/18/32/22/525183222.db2.gz SVCOMYQBKKNFHQ-UHFFFAOYSA-N 0 0 342.489 4.483 50 30 EIEARN N#CC1(NC(=O)CSCc2ccc(Cl)cc2)CCCCCC1 ZINC000040050477 526437767 /nfs/dbraw/zinc/43/77/67/526437767.db2.gz QLUJQHUHYVXRQM-UHFFFAOYSA-N 0 0 336.888 4.306 50 30 EIEARN N#CCc1nc(CSc2nc3cc([N+](=O)[O-])ccc3s2)cs1 ZINC000001794234 526487378 /nfs/dbraw/zinc/48/73/78/526487378.db2.gz GOIHBQHCZQCJTQ-UHFFFAOYSA-N 0 0 348.434 4.019 50 30 EIEARN Cc1oc(-c2cccs2)nc1CON=C(N)c1ccc(Cl)cc1 ZINC000023615376 526748131 /nfs/dbraw/zinc/74/81/31/526748131.db2.gz OQUMAWOSPMVJNM-UHFFFAOYSA-N 0 0 347.827 4.202 50 30 EIEARN Cn1c(Cl)c(/C=N/OC(=O)Cc2cccs2)c2ccccc21 ZINC000004051498 527067485 /nfs/dbraw/zinc/06/74/85/527067485.db2.gz DSRLRCCCELVPFO-VCHYOVAHSA-N 0 0 332.812 4.013 50 30 EIEARN NC(=O)c1ccccc1/N=C/c1ccccc1OCc1ccccc1 ZINC000000587468 527088285 /nfs/dbraw/zinc/08/82/85/527088285.db2.gz IGIYLIUEWLINBM-OEAKJJBVSA-N 0 0 330.387 4.115 50 30 EIEARN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(O)c1 ZINC000015188942 527605173 /nfs/dbraw/zinc/60/51/73/527605173.db2.gz KSUCPCXAAUTQAJ-CSKARUKUSA-N 0 0 335.315 4.457 50 30 EIEARN CC(C)(C)OC(=O)ON(c1ccc(F)cc1Br)C1CC1 ZINC000230545204 534918776 /nfs/dbraw/zinc/91/87/76/534918776.db2.gz OYPRGPMXPZQIOG-UHFFFAOYSA-N 0 0 346.196 4.424 50 30 EIEARN Cc1c(Cl)cccc1NC(=S)N/N=C/c1ccc(N(C)C)cc1 ZINC000000071717 563215519 /nfs/dbraw/zinc/21/55/19/563215519.db2.gz WURUQPIKCJPEOJ-YBFXNURJSA-N 0 0 346.887 4.035 50 30 EIEARN COc1ccc(/C=N/c2ccc(NC(=O)c3ccccc3O)cc2)cc1 ZINC000000072685 563215820 /nfs/dbraw/zinc/21/58/20/563215820.db2.gz NKAWLTWEFOGHAZ-HYARGMPZSA-N 0 0 346.386 4.404 50 30 EIEARN O=C1Nc2ccccc2/C1=N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000230684 563263753 /nfs/dbraw/zinc/26/37/53/563263753.db2.gz GPZGLCWJLIXSNK-SRZZPIQSSA-N 0 0 349.777 4.375 50 30 EIEARN O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(Cl)cc1Cl)OCO2 ZINC000000273875 563270208 /nfs/dbraw/zinc/27/02/08/563270208.db2.gz ZQFOBKNGFOZWGW-UBKPWBPPSA-N 0 0 339.134 4.381 50 30 EIEARN CC1(C)CC(=O)C(C(=O)c2ccccc2)=C(Nc2ccccc2O)C1 ZINC000000314660 563282397 /nfs/dbraw/zinc/28/23/97/563282397.db2.gz FKNNIFFPPRIZAL-UHFFFAOYSA-N 0 0 335.403 4.330 50 30 EIEARN N#CCCN(Cc1ccccc1)C(=O)C1(c2ccccc2)CCCC1 ZINC000002295440 563428807 /nfs/dbraw/zinc/42/88/07/563428807.db2.gz ZFCIXQXIUZZIHV-UHFFFAOYSA-N 0 0 332.447 4.441 50 30 EIEARN CC(C)C1CC(=O)C(=CNc2ccc(OC(F)(F)F)cc2)C(=O)C1 ZINC000002550050 563440449 /nfs/dbraw/zinc/44/04/49/563440449.db2.gz YMSMECORSPOZQO-UHFFFAOYSA-N 0 0 341.329 4.085 50 30 EIEARN Cc1ccc(-c2nc(Cn3c(C#N)nc4ccccc43)cs2)cc1 ZINC000006659189 563576261 /nfs/dbraw/zinc/57/62/61/563576261.db2.gz 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/nfs/dbraw/zinc/82/88/62/563828862.db2.gz FQLMAIUTXHMSQM-JLCFBVMHSA-N 0 0 346.430 4.459 50 30 EIEARN COc1ccc([C@@H]2CC(=O)C=C(Nc3cc(Cl)ccc3O)C2)cc1 ZINC000017029052 563829328 /nfs/dbraw/zinc/82/93/28/563829328.db2.gz PGOYVGRPVNBELQ-ZDUSSCGKSA-N 0 0 343.810 4.497 50 30 EIEARN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccnc1C ZINC000072271683 563896293 /nfs/dbraw/zinc/89/62/93/563896293.db2.gz HKYVIDAKFGNKBS-UHFFFAOYSA-N 0 0 344.374 4.010 50 30 EIEARN O=C(Nc1n[nH]c(-c2ccc(F)cc2)n1)c1csc2c1CCCC2 ZINC000028679448 563903670 /nfs/dbraw/zinc/90/36/70/563903670.db2.gz XZMNHIXYECMOAK-UHFFFAOYSA-N 0 0 342.399 4.187 50 30 EIEARN C[C@@H](NC(=O)c1occc1COc1ccccc1)c1cccc(C#N)c1 ZINC000072304552 563914467 /nfs/dbraw/zinc/91/44/67/563914467.db2.gz ZPZWHSIKMXSEMX-OAHLLOKOSA-N 0 0 346.386 4.221 50 30 EIEARN CCCCNC(=S)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 ZINC000013543268 563929853 /nfs/dbraw/zinc/92/98/53/563929853.db2.gz LCPLYSKJFSJOKV-KRWDZBQOSA-N 0 0 331.460 4.118 50 30 EIEARN Cn1nccc1/C=C(\C(=O)c1ccccc1)c1nc2ccccc2s1 ZINC000096794784 563962471 /nfs/dbraw/zinc/96/24/71/563962471.db2.gz DJNYTCGWOLOPES-DTQAZKPQSA-N 0 0 345.427 4.453 50 30 EIEARN O=C(ON=C(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000071769573 563965625 /nfs/dbraw/zinc/96/56/25/563965625.db2.gz DTAMQYQLSYRJMG-UHFFFAOYSA-N 0 0 346.342 4.204 50 30 EIEARN Cc1nc(SCc2nnc(-c3ccccc3)o2)c(C#N)c(C)c1C ZINC000000084239 563975028 /nfs/dbraw/zinc/97/50/28/563975028.db2.gz JGYXNFXXMHFLHA-UHFFFAOYSA-N 0 0 336.420 4.221 50 30 EIEARN N#Cc1c(N)nc(-c2ccc[nH]2)cc1-c1ccc([C@@H]2CCCO2)s1 ZINC000071770875 563983074 /nfs/dbraw/zinc/98/30/74/563983074.db2.gz XFNKYZWAASCLGD-HNNXBMFYSA-N 0 0 336.420 4.111 50 30 EIEARN O=C1CCCC2=C1[C@H](c1ccsc1)CC(=O)N2c1ccc(F)cc1 ZINC000000109262 563986516 /nfs/dbraw/zinc/98/65/16/563986516.db2.gz KIETWZHLXZRZGX-HNNXBMFYSA-N 0 0 341.407 4.415 50 30 EIEARN CC(C)[C@@](C)(C#N)NC(=O)c1cccnc1Oc1ccc(Cl)cc1 ZINC000000127905 563986893 /nfs/dbraw/zinc/98/68/93/563986893.db2.gz JECWRCNSLADVJS-GOSISDBHSA-N 0 0 343.814 4.195 50 30 EIEARN Cc1ccc(CSc2nncn2/N=C/c2ccc(Cl)cc2)cc1 ZINC000000147653 563987275 /nfs/dbraw/zinc/98/72/75/563987275.db2.gz VJSMOEVZCLQEAZ-KEBDBYFISA-N 0 0 342.855 4.414 50 30 EIEARN CC/N=C1/S/C(=C\c2ccc(-c3ccccc3F)o2)C(=O)N1CC ZINC000100203492 563987476 /nfs/dbraw/zinc/98/74/76/563987476.db2.gz SRBIKHJYVCOCMH-FMIVOPDJSA-N 0 0 344.411 4.398 50 30 EIEARN CCOc1cc(/C=N/N(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000000255928 563989554 /nfs/dbraw/zinc/98/95/54/563989554.db2.gz JZIRFEZGHHXPEX-UDWIEESQSA-N 0 0 332.831 4.213 50 30 EIEARN O=[N+]([O-])c1cccc(-c2csc(N=NCc3ccc(F)cc3)n2)c1 ZINC000252613421 563997959 /nfs/dbraw/zinc/99/79/59/563997959.db2.gz JBBNYALNXCQGST-UHFFFAOYSA-N 0 0 342.355 4.303 50 30 EIEARN O=C(ON=Cc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000252620095 563997966 /nfs/dbraw/zinc/99/79/66/563997966.db2.gz LXILGMXRNYBFQK-UHFFFAOYSA-N 0 0 339.134 4.093 50 30 EIEARN COc1ccc(C(C)=O)cc1CSc1nc(C)c(C)c(C)c1C#N ZINC000005172371 563999927 /nfs/dbraw/zinc/99/99/27/563999927.db2.gz AUIYOYKIPGXCOV-UHFFFAOYSA-N 0 0 340.448 4.382 50 30 EIEARN N#C[C@@]1(c2nc3ccccc3s2)Cc2ccccc2N2CCC[C@H]21 ZINC000005660269 564007346 /nfs/dbraw/zinc/00/73/46/564007346.db2.gz ZAVKEDXRHDPPNB-ICSRJNTNSA-N 0 0 331.444 4.283 50 30 EIEARN CC[C@@](C)(/N=C\c1ccccc1)c1nnnn1-c1c(C)cccc1C ZINC000018083084 564017925 /nfs/dbraw/zinc/01/79/25/564017925.db2.gz KQLPPPSGJPIUOT-PLDFPGSMSA-N 0 0 333.439 4.023 50 30 EIEARN COc1cc2c(c(OC)c1)[C@H](c1ccc(C)o1)C1=C(CCCC1=O)N2 ZINC000018200451 564018756 /nfs/dbraw/zinc/01/87/56/564018756.db2.gz MGVYQXSHUSWWEB-HXUWFJFHSA-N 0 0 339.391 4.170 50 30 EIEARN Cc1nc2c3ccccc3[nH]c2c(=O)n1/N=C/c1ccc(C(C)C)cc1 ZINC000000500259 564018951 /nfs/dbraw/zinc/01/89/51/564018951.db2.gz DVKOQFSMNUVDFH-WSDLNYQXSA-N 0 0 344.418 4.192 50 30 EIEARN CC(Nc1ccc(C)cc1)=C1C(C)=NN(c2nc3ccccc3[nH]2)C1=O ZINC000018254571 564019005 /nfs/dbraw/zinc/01/90/05/564019005.db2.gz HYRHEONZSLCXJZ-KOMLCTQHSA-N 0 0 345.406 4.003 50 30 EIEARN O=C(C=CNc1ccc(Cl)cn1)c1ccc(Br)cc1 ZINC000018325311 564020702 /nfs/dbraw/zinc/02/07/02/564020702.db2.gz XELARUUIJDVDCC-BQYQJAHWSA-N 0 0 337.604 4.306 50 30 EIEARN CN(C)c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 ZINC000000521164 564021001 /nfs/dbraw/zinc/02/10/01/564021001.db2.gz FMTAYPVVERHHOC-LJQANCHMSA-N 0 0 336.435 4.294 50 30 EIEARN COc1cc2c(cc1OC)[C@H]1CCC3=C(CC(C)(C)CC3=O)N1CC2 ZINC000000526462 564021208 /nfs/dbraw/zinc/02/12/08/564021208.db2.gz ZYBOHQVDOFAGMO-MRXNPFEDSA-N 0 0 341.451 4.040 50 30 biogenic EIEARN O=C(c1cc(Cl)sc1Cl)[C@H]1O[C@H]1C(Cl)(Cl)Cl ZINC000000550730 564022896 /nfs/dbraw/zinc/02/28/96/564022896.db2.gz JCXDLQVDYARZGH-PHDIDXHHSA-N 0 0 340.442 4.375 50 30 EIEARN CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1Cc1ccccn1 ZINC000000567653 564023427 /nfs/dbraw/zinc/02/34/27/564023427.db2.gz NXQXMHJOZDRWLD-UHFFFAOYSA-N 0 0 342.398 4.081 50 30 EIEARN N#CCOc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1 ZINC000015766219 564024326 /nfs/dbraw/zinc/02/43/26/564024326.db2.gz OSNZJTOXPPKENC-UHFFFAOYSA-N 0 0 327.192 4.210 50 30 EIEARN N#CC1(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)CCCC1 ZINC000047345356 564026159 /nfs/dbraw/zinc/02/61/59/564026159.db2.gz NQAJRHFAQFBUNU-UHFFFAOYSA-N 0 0 337.398 4.007 50 30 EIEARN C=CCOc1ccc(CN(C)C(=O)c2ccc(-c3cnco3)cc2)cc1 ZINC000047609039 564026561 /nfs/dbraw/zinc/02/65/61/564026561.db2.gz STYOPPLISTVXQI-UHFFFAOYSA-N 0 0 348.402 4.179 50 30 EIEARN O=C(NCCc1ccccc1F)c1ccc(C#Cc2ccccc2)cc1 ZINC000002983429 564043678 /nfs/dbraw/zinc/04/36/78/564043678.db2.gz ISOXWJYFSKJGAB-UHFFFAOYSA-N 0 0 343.401 4.198 50 30 EIEARN C=CCOC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1cccc2ccccc21 ZINC000002913693 564043784 /nfs/dbraw/zinc/04/37/84/564043784.db2.gz OLRXWLKBAIDFJP-MSOLQXFVSA-N 0 0 335.403 4.090 50 30 EIEARN C=CCOC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc2ccccc21 ZINC000002913695 564044778 /nfs/dbraw/zinc/04/47/78/564044778.db2.gz OLRXWLKBAIDFJP-QZTJIDSGSA-N 0 0 335.403 4.090 50 30 EIEARN COc1ccc(/C=C/C(=O)c2cccc(C#N)c2)cc1Br ZINC000059270257 564050568 /nfs/dbraw/zinc/05/05/68/564050568.db2.gz BAQSZQUDJJNEMD-FNORWQNLSA-N 0 0 342.192 4.225 50 30 EIEARN CC(C)(C)c1ccc(-c2nc(C#N)c(NCCCn3ccnc3)o2)cc1 ZINC000005856032 564056657 /nfs/dbraw/zinc/05/66/57/564056657.db2.gz WZDJAJUTQNAWAK-UHFFFAOYSA-N 0 0 349.438 4.209 50 30 EIEARN O=[N+]([O-])c1ccccc1/C=N/N=C(c1ccccc1)c1ccccc1 ZINC000003261219 564058805 /nfs/dbraw/zinc/05/88/05/564058805.db2.gz PONBXEMWPCIEML-RCCKNPSSSA-N 0 0 329.359 4.466 50 30 EIEARN Cc1ccc(CN=Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000031854483 564060998 /nfs/dbraw/zinc/06/09/98/564060998.db2.gz VCAFGZQAGZDJTA-ZDLGFXPLSA-N 0 0 338.392 4.473 50 30 EIEARN O=C(NCC#Cc1ccccc1)C1c2ccccc2Oc2ccccc21 ZINC000012731402 564064237 /nfs/dbraw/zinc/06/42/37/564064237.db2.gz CRCSPSXPFCCIEW-UHFFFAOYSA-N 0 0 339.394 4.092 50 30 EIEARN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1Cl ZINC000012740232 564065022 /nfs/dbraw/zinc/06/50/22/564065022.db2.gz JZFBIOQBMVRPBC-UHFFFAOYSA-N 0 0 337.728 4.140 50 30 EIEARN Cc1oc(-c2ccsc2)nc1C[S@@](=O)Cc1ccc(C#N)cc1 ZINC000084056886 564065894 /nfs/dbraw/zinc/06/58/94/564065894.db2.gz ZEWNJQLCAIKEIK-HSZRJFAPSA-N 0 0 342.445 4.032 50 30 EIEARN Cc1cccc(-c2nc(CC(=O)Nc3sccc3C#N)cs2)c1 ZINC000025910393 564066392 /nfs/dbraw/zinc/06/63/92/564066392.db2.gz GBVKECRXXNXFTL-UHFFFAOYSA-N 0 0 339.445 4.233 50 30 EIEARN C=CCN(c1ccccc1)c1nc(C(=O)OCC)nc2ccccc21 ZINC000015784050 564074165 /nfs/dbraw/zinc/07/41/65/564074165.db2.gz FRNGMZDICLQAEV-UHFFFAOYSA-N 0 0 333.391 4.131 50 30 EIEARN O=C(Nc1ccc(Cl)cc1)c1cncc(C#Cc2ccccc2)c1 ZINC000000170160 564074483 /nfs/dbraw/zinc/07/44/83/564074483.db2.gz XYHVENHARHKKDE-UHFFFAOYSA-N 0 0 332.790 4.387 50 30 EIEARN C=CCc1cccc2cc(C(=O)Nc3ccc(OCC)cc3)c(=O)oc21 ZINC000000105759 564074487 /nfs/dbraw/zinc/07/44/87/564074487.db2.gz RGUHFLDAWIFKDY-UHFFFAOYSA-N 0 0 349.386 4.173 50 30 EIEARN C=CCn1c(SCC(=C)C)nc2sc3c(c2c1=O)CCCC3 ZINC000000352391 564074551 /nfs/dbraw/zinc/07/45/51/564074551.db2.gz YUZIIPFJYCLARK-UHFFFAOYSA-N 0 0 332.494 4.191 50 30 EIEARN COc1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1 ZINC000000436900 564074563 /nfs/dbraw/zinc/07/45/63/564074563.db2.gz OYCIWBSSYMZQLA-UHFFFAOYSA-N 0 0 327.383 4.347 50 30 EIEARN N#Cc1cccc(OCc2csc(COc3ccc(F)cc3)n2)c1 ZINC000012922968 564078407 /nfs/dbraw/zinc/07/84/07/564078407.db2.gz TVQHPYWQWZHPOW-UHFFFAOYSA-N 0 0 340.379 4.312 50 30 EIEARN C=C(C)CN(CC)Cn1nc(-c2ccc(C)cc2)c2ccccc2c1=O ZINC000029502345 564079282 /nfs/dbraw/zinc/07/92/82/564079282.db2.gz DBJPDUQIUCJFPB-UHFFFAOYSA-N 0 0 347.462 4.227 50 30 EIEARN CCN(CCC#N)c1ncnc2scc(-c3ccc(OC)cc3)c21 ZINC000075093125 564079957 /nfs/dbraw/zinc/07/99/57/564079957.db2.gz ASFWEPIZUJDRRA-UHFFFAOYSA-N 0 0 338.436 4.107 50 30 EIEARN N#Cc1cc2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2[nH]c1=O ZINC000075278658 564081405 /nfs/dbraw/zinc/08/14/05/564081405.db2.gz SGTQBSYGFFICPS-UHFFFAOYSA-N 0 0 346.777 4.318 50 30 EIEARN Cc1c(C#N)c(NC(=O)c2cccc(C)c2)sc1C(=O)OC(C)C ZINC000006316885 564084537 /nfs/dbraw/zinc/08/45/37/564084537.db2.gz REPWGFGHOTXVEV-UHFFFAOYSA-N 0 0 342.420 4.054 50 30 EIEARN Cc1nnc(NCc2ccc(N(C)C3CCCCC3)cc2)c(C#N)c1C ZINC000064114905 564085089 /nfs/dbraw/zinc/08/50/89/564085089.db2.gz CQHXPFFKKMKBBL-UHFFFAOYSA-N 0 0 349.482 4.346 50 30 EIEARN CCOc1ccc(C(=O)/C=C/c2csc(-c3ccccn3)n2)cc1 ZINC000040139694 564085926 /nfs/dbraw/zinc/08/59/26/564085926.db2.gz UZGIAYBQVMUGHA-DHZHZOJOSA-N 0 0 336.416 4.500 50 30 EIEARN N#Cc1cccc(OCC(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000006552939 564091981 /nfs/dbraw/zinc/09/19/81/564091981.db2.gz XOEPYNVKFDJXEK-UHFFFAOYSA-N 0 0 328.371 4.243 50 30 EIEARN Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccccc3F)o2)cc1 ZINC000006589417 564092327 /nfs/dbraw/zinc/09/23/27/564092327.db2.gz MBZHKUIQZGQGDJ-AWEZNQCLSA-N 0 0 339.395 4.411 50 30 EIEARN COc1cc(C)c(-c2cccc(C(=O)N3CCC[C@H](C#N)C3)c2)cc1C ZINC000426720010 564094470 /nfs/dbraw/zinc/09/44/70/564094470.db2.gz RQYXZYCXFMXAPH-QGZVFWFLSA-N 0 0 348.446 4.355 50 30 EIEARN C=CCSc1nnc(NC(=O)c2cccc3ccccc32)s1 ZINC000006705154 564096217 /nfs/dbraw/zinc/09/62/17/564096217.db2.gz RUPSCLYNSSACMG-UHFFFAOYSA-N 0 0 327.434 4.222 50 30 EIEARN CO/N=C(\C)C(Cc1ccc(Cl)nc1)Cc1ccc(Cl)nc1 ZINC000006780561 564097594 /nfs/dbraw/zinc/09/75/94/564097594.db2.gz KWPYRODYOJFYSY-SRZZPIQSSA-N 0 0 338.238 4.207 50 30 EIEARN N#Cc1cccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 ZINC000006833059 564099211 /nfs/dbraw/zinc/09/92/11/564099211.db2.gz RROBJMVMSBXUBV-UHFFFAOYSA-N 0 0 341.342 4.212 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1ccccc1 ZINC000170615313 564109982 /nfs/dbraw/zinc/10/99/82/564109982.db2.gz KZAOVYSNZPXACK-FPOVZHCZSA-N 0 0 334.415 4.314 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccccc1F ZINC000170615205 564110022 /nfs/dbraw/zinc/11/00/22/564110022.db2.gz QRHFCBVTXGJERR-QAPCUYQASA-N 0 0 344.407 4.207 50 30 EIEARN C[C@H](c1ccccc1)[C@H](C)NC(=O)N(CCC#N)c1ccccc1F ZINC000170616165 564110091 /nfs/dbraw/zinc/11/00/91/564110091.db2.gz AWOFNOKAKIAHGH-HOTGVXAUSA-N 0 0 339.414 4.448 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccsc1 ZINC000170618108 564110132 /nfs/dbraw/zinc/11/01/32/564110132.db2.gz CNKJAIIDFUIMKZ-HOCLYGCPSA-N 0 0 332.446 4.129 50 30 EIEARN C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)C2CC2)[C@@H]1c1ccccc1 ZINC000016839804 564113748 /nfs/dbraw/zinc/11/37/48/564113748.db2.gz VZEOFGFZBYMHKK-KUHUBIRLSA-N 0 0 347.414 4.122 50 30 EIEARN C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)Nc1ccccc1 ZINC000006697278 564117398 /nfs/dbraw/zinc/11/73/98/564117398.db2.gz RGUWTGMFYVBYQF-UHFFFAOYSA-N 0 0 348.406 4.265 50 30 EIEARN COc1ccc2ccccc2c1C=NNC(=S)Nc1ccc(C)cc1 ZINC000252462175 564118734 /nfs/dbraw/zinc/11/87/34/564118734.db2.gz QKOHQHMVPUHAIX-UHFFFAOYSA-N 0 0 349.459 4.477 50 30 EIEARN C=C(C)COc1ccc([C@H]2NC(=O)c3ccccc3O2)cc1OC ZINC000002137983 564118906 /nfs/dbraw/zinc/11/89/06/564118906.db2.gz YHAPJHQNXDQHMD-IBGZPJMESA-N 0 0 325.364 4.046 50 30 biogenic EIEARN CC[C@H]1SC(=NN=Cc2c3ccccc3cc3ccccc32)NC1=O ZINC000252589074 564120864 /nfs/dbraw/zinc/12/08/64/564120864.db2.gz AGUYRBQUTLKJCE-GOSISDBHSA-N 0 0 347.443 4.325 50 30 EIEARN COc1cccc(/C=N\[C@H](c2ccccc2)[C@H](O)c2ccccc2)c1O ZINC000252606054 564121286 /nfs/dbraw/zinc/12/12/86/564121286.db2.gz GPAIGKMUMHWDAF-LOIFMJCOSA-N 0 0 347.414 4.295 50 30 EIEARN Cc1ccc(CN=Nc2ncnc3sc4c(c32)CCCC4)c(O)c1 ZINC000252617372 564122150 /nfs/dbraw/zinc/12/21/50/564122150.db2.gz KRKQKNLRJYSPGK-UHFFFAOYSA-N 0 0 338.436 4.030 50 30 EIEARN Cc1ccc(C(=O)C(C#N)=NNc2ccc(Cl)cc2Cl)cc1 ZINC000252621657 564122900 /nfs/dbraw/zinc/12/29/00/564122900.db2.gz NDZLNTDWZLKIFG-UHFFFAOYSA-N 0 0 332.190 4.476 50 30 EIEARN N#Cc1ccsc1NC(=O)COc1ccccc1Cc1ccccc1 ZINC000007778626 564123059 /nfs/dbraw/zinc/12/30/59/564123059.db2.gz GJLAHARDNYXMRF-UHFFFAOYSA-N 0 0 348.427 4.228 50 30 EIEARN N#Cc1c2c(sc1NC(=O)c1cc(F)cc3cccnc31)CCC2 ZINC000253416200 564130729 /nfs/dbraw/zinc/13/07/29/564130729.db2.gz WNHOSAFBJSVCRE-UHFFFAOYSA-N 0 0 337.379 4.048 50 30 EIEARN N#Cc1ccc(-c2csc(NC(=O)c3ccoc3C3CC3)n2)cc1 ZINC000253418316 564130900 /nfs/dbraw/zinc/13/09/00/564130900.db2.gz LRAARAMEHIZIHX-UHFFFAOYSA-N 0 0 335.388 4.404 50 30 EIEARN CC1CCN(c2c3c(c(C#N)c4nc5ccccc5n42)CCC3)CC1 ZINC000000445601 564133240 /nfs/dbraw/zinc/13/32/40/564133240.db2.gz WWFHXFCYVAZNSH-UHFFFAOYSA-N 0 0 330.435 4.084 50 30 EIEARN N#Cc1cccnc1SCC(=O)Nc1ccccc1-c1ccccc1 ZINC000007051769 564133856 /nfs/dbraw/zinc/13/38/56/564133856.db2.gz MVFHFANCYLUUEZ-UHFFFAOYSA-N 0 0 345.427 4.351 50 30 EIEARN CCOc1ccc(N(CCC#N)C(=O)c2cccc3ncccc32)cc1 ZINC000114686853 564134504 /nfs/dbraw/zinc/13/45/04/564134504.db2.gz LEDMCMPTEMKRIS-UHFFFAOYSA-N 0 0 345.402 4.194 50 30 EIEARN Cc1cc(C)c(C#N)c(-c2ccc(C(=O)N3CC=C(C)CC3)cc2)n1 ZINC000426515777 564135106 /nfs/dbraw/zinc/13/51/06/564135106.db2.gz SWPFSLXOPFQTFF-UHFFFAOYSA-N 0 0 331.419 4.029 50 30 EIEARN COc1cccc(C(=O)O/N=C(\C)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000012350690 564135204 /nfs/dbraw/zinc/13/52/04/564135204.db2.gz FWHQLNQEJVBFLP-KQWOTGNYSA-N 0 0 327.355 4.171 50 30 EIEARN Cc1cc(N[C@H](C)c2ccccn2)n2c3ccccc3nc2c1C#N ZINC000012629755 564135372 /nfs/dbraw/zinc/13/53/72/564135372.db2.gz MQEJJVQXOXGDBQ-CQSZACIVSA-N 0 0 327.391 4.236 50 30 EIEARN N#CCCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000012981642 564135810 /nfs/dbraw/zinc/13/58/10/564135810.db2.gz YJKYRLCLXMMEQB-UHFFFAOYSA-N 0 0 344.827 4.246 50 30 EIEARN O=C(CCc1ccc(O)cc1)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000328587355 564136532 /nfs/dbraw/zinc/13/65/32/564136532.db2.gz GWMPTOUDSBMRCQ-FXAWDEMLSA-N 0 0 325.408 4.059 50 30 EIEARN C[C@@H](C#N)Oc1ccc([C@@H]2Nc3c4ccccc4sc3C(=O)N2)cc1 ZINC000078765258 564137132 /nfs/dbraw/zinc/13/71/32/564137132.db2.gz YMLLMWITBUCZIJ-BBATYDOGSA-N 0 0 349.415 4.046 50 30 EIEARN Cc1nc(/C=C/c2cccnc2)sc1C(=O)/C=C\c1cccnc1 ZINC000096257382 564146195 /nfs/dbraw/zinc/14/61/95/564146195.db2.gz MYBKPNMOUQHJIQ-MKKAVFGOSA-N 0 0 333.416 4.308 50 30 EIEARN Cc1ccc(/C=C\C(=O)Nc2cccc(C#Cc3ccccn3)c2)o1 ZINC000096401493 564147109 /nfs/dbraw/zinc/14/71/09/564147109.db2.gz MMUOIHFTXXHMOH-SEYXRHQNSA-N 0 0 328.371 4.035 50 30 EIEARN CCc1nnc([C@@H](C)Nc2ccc(Oc3cccc(C#N)c3)cc2)o1 ZINC000096437080 564148059 /nfs/dbraw/zinc/14/80/59/564148059.db2.gz LHGCKKWVEWGZEA-CYBMUJFWSA-N 0 0 334.379 4.469 50 30 EIEARN Cc1sc2nc(SCCC#N)n(-c3ccccc3)c(=O)c2c1C ZINC000002636948 564151579 /nfs/dbraw/zinc/15/15/79/564151579.db2.gz WLSBJSYPAUYRTO-UHFFFAOYSA-N 0 0 341.461 4.070 50 30 EIEARN S=C(NN=C1c2ccccc2-c2ccccc21)NC1CCCCC1 ZINC000003250011 564156590 /nfs/dbraw/zinc/15/65/90/564156590.db2.gz AXWUIQDPJZOSQW-UHFFFAOYSA-N 0 0 335.476 4.216 50 30 EIEARN C[C@H](C#N)Sc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C ZINC000003356843 564157647 /nfs/dbraw/zinc/15/76/47/564157647.db2.gz JOFQSDDFHBYVKU-UMVBOHGHSA-N 0 0 327.457 4.095 50 30 EIEARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(C#N)cc1 ZINC000008344546 564164626 /nfs/dbraw/zinc/16/46/26/564164626.db2.gz FOHHVORBZSMWRT-UHFFFAOYSA-N 0 0 345.406 4.014 50 30 EIEARN C=CCN(CC=C)Cc1c(C)[nH]c2ccc(N(CC)CC)cc2c1=O ZINC000008717361 564166741 /nfs/dbraw/zinc/16/67/41/564166741.db2.gz AHOWEGXJURQHPQ-UHFFFAOYSA-N 0 0 339.483 4.269 50 30 EIEARN C=CCN(CC=C)Cc1c(C)[nH]c2ccc(OCC(C)C)cc2c1=O ZINC000008717495 564166796 /nfs/dbraw/zinc/16/67/96/564166796.db2.gz GUDNCQACFCTXPB-UHFFFAOYSA-N 0 0 340.467 4.458 50 30 EIEARN Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2nc(C)c(SCC#N)s2)s1 ZINC000069418888 564169348 /nfs/dbraw/zinc/16/93/48/564169348.db2.gz FYZNPQCCXZVKMK-GHMZBOCLSA-N 0 0 349.506 4.179 50 30 EIEARN N#C[C@H](C(=O)CCc1cccc(OC2CCCC2)c1)c1ccccn1 ZINC000070032707 564173426 /nfs/dbraw/zinc/17/34/26/564173426.db2.gz XGHJYSUYIKMSGI-IBGZPJMESA-N 0 0 334.419 4.212 50 30 EIEARN CCn1c(SCc2ccc(F)cc2C#N)nnc1-c1ccccc1 ZINC000077564509 564176773 /nfs/dbraw/zinc/17/67/73/564176773.db2.gz VMUJMJXABKBEQF-UHFFFAOYSA-N 0 0 338.411 4.268 50 30 EIEARN CCCC(Nc1cccc([N+](=O)[O-])c1)=C1C(=O)CC(C)(C)CC1=O ZINC000100472502 1020888618 /nfs/dbraw/zinc/88/86/18/1020888618.db2.gz SFCAJRKFMVKXRI-UHFFFAOYSA-N 0 0 330.384 4.019 50 30 EIEARN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ncoc1C1CC1 ZINC000328854856 1022191975 /nfs/dbraw/zinc/19/19/75/1022191975.db2.gz CNEBBGNQDLTNQK-SNVBAGLBSA-N 0 0 339.178 4.297 50 30 EIEARN O=C(/C=C\c1ccccc1C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000096767103 1022525667 /nfs/dbraw/zinc/52/56/67/1022525667.db2.gz ABHCXZTZBUSGRN-ALCCZGGFSA-N 0 0 334.293 4.373 50 30 EIEARN CC(N=Nc1nc2ccccc2s1)N=Nc1cccc([N+](=O)[O-])c1 ZINC000004099412 1023039506 /nfs/dbraw/zinc/03/95/06/1023039506.db2.gz JROBDWVVQUJXAS-HMDIFATOSA-N 0 0 340.368 4.156 50 30 EIEARN CCCC/N=C1\SCC(c2ccc(Br)s2)=NN1C ZINC000102962088 1024833697 /nfs/dbraw/zinc/83/36/97/1024833697.db2.gz JELNOBADQIGUIF-OWBHPGMISA-N 0 0 346.319 4.049 50 30 EIEARN C#CCOC(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000003105972 1030379092 /nfs/dbraw/zinc/37/90/92/1030379092.db2.gz TWQWCRKUKZLSRP-UHFFFAOYSA-N 0 0 348.185 4.036 50 30 EIEARN CC(C)CN1c2ccccc2C(=Nc2cccc3cnccc32)C1=O ZINC000254311002 1037409923 /nfs/dbraw/zinc/40/99/23/1037409923.db2.gz NQFJHARWAAOGBT-UHFFFAOYSA-N 0 0 329.403 4.358 50 30 EIEARN COc1cccc(C(=O)/C=C\c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000096766648 1041609876 /nfs/dbraw/zinc/60/98/76/1041609876.db2.gz OAJUTPLJYVDOHZ-SEYXRHQNSA-N 0 0 332.403 4.394 50 30 EIEARN CN=c1scc(-c2ccccc2F)n1N=Cc1cc(C)ccc1C ZINC000606347480 1043068002 /nfs/dbraw/zinc/06/80/02/1043068002.db2.gz XFYQKFCRELRKKQ-UHFFFAOYSA-N 0 0 339.439 4.385 50 30 EIEARN N#CCOC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000032636461 1045833582 /nfs/dbraw/zinc/83/35/82/1045833582.db2.gz HJNSYCKPTZWBCL-BUHFOSPRSA-N 0 0 344.370 4.385 50 30 EIEARN COc1ccc(/C=C\C(=O)c2ccc(Br)cc2)c(OC)c1 ZINC000033410957 1047166764 /nfs/dbraw/zinc/16/67/64/1047166764.db2.gz WQLNGYXDLOYYFS-POHAHGRESA-N 0 0 347.208 4.362 50 30 EIEARN COc1ccc2cc(/C=C\C(=O)c3ccc4c(c3)OCO4)ccc2c1 ZINC000033474245 1047341341 /nfs/dbraw/zinc/34/13/41/1047341341.db2.gz CJSWAMSULCBRNG-BAQGIRSFSA-N 0 0 332.355 4.473 50 30 EIEARN O=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000033605706 1047623295 /nfs/dbraw/zinc/62/32/95/1047623295.db2.gz OVCQEXNEMJEJRT-KTKRTIGZSA-N 0 0 332.153 4.253 50 30 EIEARN C#CCCC1(CCC(=O)N[C@H]2CCCc3ccc(Cl)cc32)N=N1 ZINC000952880848 1049681091 /nfs/dbraw/zinc/68/10/91/1049681091.db2.gz JIFUGQHWKVFGRF-INIZCTEOSA-N 0 0 329.831 4.189 50 30 EIEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3cn4ccccc4n3)cc2)o1 ZINC000004739526 210265934 /nfs/dbraw/zinc/26/59/34/210265934.db2.gz BSBHEDVEQYUXGH-YBFXNURJSA-N 0 0 332.319 4.253 50 30 EIEARN N#Cc1cn(CC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000051319164 214088720 /nfs/dbraw/zinc/08/87/20/214088720.db2.gz PZETZARWYFEQGM-UHFFFAOYSA-N 0 0 344.201 4.458 50 30 EIEARN CCc1ccc(N(CC)C(=O)Cn2cc(C#N)c3ccccc32)cc1 ZINC000051319128 214089337 /nfs/dbraw/zinc/08/93/37/214089337.db2.gz RLTPCJBCAQDAIJ-UHFFFAOYSA-N 0 0 331.419 4.128 50 30 EIEARN C[C@@H](Nc1ccc(C#N)cn1)c1ccc(OCc2cccnc2)cc1 ZINC000052073642 214114539 /nfs/dbraw/zinc/11/45/39/214114539.db2.gz PQBFDAQIVPNMMN-OAHLLOKOSA-N 0 0 330.391 4.100 50 30 EIEARN Cc1ccc([C@@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)cc1 ZINC000004725875 210261128 /nfs/dbraw/zinc/26/11/28/210261128.db2.gz ODVMQYMRJGTQMZ-IBGZPJMESA-N 0 0 341.410 4.297 50 30 EIEARN CC(C)(C#N)C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000055096415 214272001 /nfs/dbraw/zinc/27/20/01/214272001.db2.gz CSRDTEKPEXJXBL-UHFFFAOYSA-N 0 0 347.871 4.205 50 30 EIEARN CS/C(=N\C#N)S/C=C/C(=O)c1cccc(Br)c1 ZINC000004697434 210250724 /nfs/dbraw/zinc/25/07/24/210250724.db2.gz WLSPQWAVMHBWEB-VBDSQWIBSA-N 0 0 341.255 4.079 50 30 EIEARN C=CCNc1ccccc1C(=O)N(C)Cc1csc(C(C)C)n1 ZINC000055308649 214305315 /nfs/dbraw/zinc/30/53/15/214305315.db2.gz RSXFFKCGBGIGBQ-UHFFFAOYSA-N 0 0 329.469 4.137 50 30 EIEARN C=CCN(Cc1ccco1)C(=O)c1ccc(NCc2ccncc2)cc1 ZINC000055392904 214316828 /nfs/dbraw/zinc/31/68/28/214316828.db2.gz UYQQGEPONOUWAT-UHFFFAOYSA-N 0 0 347.418 4.115 50 30 EIEARN Cc1cc(C)c2c(c1)C(=O)/C(=C\c1csc(-c3ccccn3)n1)CO2 ZINC000058412790 214577913 /nfs/dbraw/zinc/57/79/13/214577913.db2.gz DRHGXYCSEJZXOV-ZROIWOOFSA-N 0 0 348.427 4.481 50 30 EIEARN Cc1nc(Cl)cc(N=NC(C)c2ccc(Br)cc2)n1 ZINC000004595590 210229687 /nfs/dbraw/zinc/22/96/87/210229687.db2.gz XBCSDHWUUUBRNC-QGMBQPNBSA-N 0 0 339.624 4.037 50 30 EIEARN Oc1ccc(/C=N/c2ccc(/N=C/c3ccc(O)cc3O)cc2)c(O)c1 ZINC000100011126 219088294 /nfs/dbraw/zinc/08/82/94/219088294.db2.gz MOMHMKZZTYCMBE-XHQRYOPUSA-N 0 0 348.358 4.010 50 30 EIEARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc(O)cc1 ZINC000100130220 219092383 /nfs/dbraw/zinc/09/23/83/219092383.db2.gz BTDQWRKOQJWJPO-PYCFMQQDSA-N 0 0 332.403 4.364 50 30 EIEARN COc1ccc(NC=C2C(=O)N(c3ccccc3)N=C2C)cc1Cl ZINC000100293181 219096145 /nfs/dbraw/zinc/09/61/45/219096145.db2.gz DSUCROFAMSDIQZ-BBJIBYMTSA-N 0 0 341.798 4.090 50 30 EIEARN C[C@H](NC=C1C(=O)CC(C)(C)CC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000100542128 219101434 /nfs/dbraw/zinc/10/14/34/219101434.db2.gz CPACDKUABSUTFZ-JHMRYYBSSA-N 0 0 329.484 4.023 50 30 EIEARN CC1=NOC(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000100815540 219108140 /nfs/dbraw/zinc/10/81/40/219108140.db2.gz HZNXTAYUHLQKGX-OVCLIPMQSA-N 0 0 345.757 4.374 50 30 EIEARN COc1ccc(/C=C/C(=O)c2cc(C)ccc2O)cc1Br ZINC000004393130 210187536 /nfs/dbraw/zinc/18/75/36/210187536.db2.gz YYQPJPPLVUSHNO-QPJJXVBHSA-N 0 0 347.208 4.368 50 30 EIEARN C=CCN1C[C@H](c2nc3ccccc3n2[C@H](C)c2ccccc2)CC1=O ZINC000004385977 210185194 /nfs/dbraw/zinc/18/51/94/210185194.db2.gz PDRSNNPCDJAQDP-SJLPKXTDSA-N 0 0 345.446 4.148 50 30 EIEARN CCN1C(=O)/C(=C\c2ccc(C)o2)S/C1=N/c1ccc(F)cc1 ZINC000101772209 219163801 /nfs/dbraw/zinc/16/38/01/219163801.db2.gz BJRZGXITSFPLDQ-RDNNIZOPSA-N 0 0 330.384 4.351 50 30 EIEARN Cc1nc2sc3c(c2c(N=NCc2ccccc2O)n1)CCCC3 ZINC000003898691 210087961 /nfs/dbraw/zinc/08/79/61/210087961.db2.gz BTWMZCOMEHBGTO-VXLYETTFSA-N 0 0 338.436 4.030 50 30 EIEARN C#CCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2-c1ccccc1 ZINC000003772585 210075021 /nfs/dbraw/zinc/07/50/21/210075021.db2.gz CZLQSNWGPFLYJI-UHFFFAOYSA-N 0 0 333.387 4.128 50 30 EIEARN C=CCSc1nnc(-c2sc(-c3ccccc3)nc2C)n1C ZINC000003469870 210048451 /nfs/dbraw/zinc/04/84/51/210048451.db2.gz PRMSONUFOPCKSA-UHFFFAOYSA-N 0 0 328.466 4.192 50 30 EIEARN C=CCSC1=N/C(=C\c2ccc(OC)c(Cl)c2)C(=O)S1 ZINC000003462340 210047258 /nfs/dbraw/zinc/04/72/58/210047258.db2.gz AVTOXNUXEWNCHZ-FLIBITNWSA-N 0 0 325.842 4.238 50 30 EIEARN CCCCOC(=O)c1ccc(/N=C/c2cccc(OC)c2O)cc1 ZINC000044835927 213649473 /nfs/dbraw/zinc/64/94/73/213649473.db2.gz NXJBNBVBAISXFJ-DEDYPNTBSA-N 0 0 327.380 4.108 50 30 EIEARN C=CCN[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000003376685 210022381 /nfs/dbraw/zinc/02/23/81/210022381.db2.gz AZGKLVAMKGHVMK-INIZCTEOSA-N 0 0 335.234 4.449 50 30 EIEARN Cc1c(-c2ccc(C#N)cc2)oc2ccc(Br)cc2c1=O ZINC000003324764 210006993 /nfs/dbraw/zinc/00/69/93/210006993.db2.gz YNDBMSZJEWZZLU-UHFFFAOYSA-N 0 0 340.176 4.403 50 30 EIEARN Cc1ccc(-c2ccc(OCC(=O)NC3(C#N)CCCCC3)cc2)cc1 ZINC000003323523 210006528 /nfs/dbraw/zinc/00/65/28/210006528.db2.gz ARINFHMLLGPKIE-UHFFFAOYSA-N 0 0 348.446 4.384 50 30 EIEARN c1ccc(CN/N=C2/c3ccccc3-c3nc4ccccc4nc32)cc1 ZINC000002294915 209838383 /nfs/dbraw/zinc/83/83/83/209838383.db2.gz HQLZLQVYVNQKQF-QLYXXIJNSA-N 0 0 336.398 4.152 50 30 EIEARN N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccnc3)cc2)cc1 ZINC000069057584 215357772 /nfs/dbraw/zinc/35/77/72/215357772.db2.gz NRWYXCLMPQTPPW-UHFFFAOYSA-N 0 0 344.374 4.067 50 30 EIEARN N#CCOc1ccc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)cc1 ZINC000040553432 213347891 /nfs/dbraw/zinc/34/78/91/213347891.db2.gz YDDMMYCTZJYCQV-UHFFFAOYSA-N 0 0 343.745 4.115 50 30 EIEARN COc1ccc(-c2cc3c4ccccc4oc(=O)c3c(N)c2C#N)cc1 ZINC000000479984 209628021 /nfs/dbraw/zinc/62/80/21/209628021.db2.gz LVUZRSAZQVUHAL-UHFFFAOYSA-N 0 0 342.354 4.076 50 30 EIEARN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(C(=O)OCC)cc1)C2 ZINC000000468921 209620133 /nfs/dbraw/zinc/62/01/33/209620133.db2.gz CXBVUQWXOGDQKD-YWZLYKJASA-N 0 0 327.424 4.184 50 30 EIEARN Cc1cc(F)ccc1[C@H]1CC(=O)C=CN1C(=O)OCc1ccccc1 ZINC000071790070 215826387 /nfs/dbraw/zinc/82/63/87/215826387.db2.gz DVPKLKJJGNAJRX-LJQANCHMSA-N 0 0 339.366 4.301 50 30 EIEARN O=C(/C=C\c1cccc(Br)c1)c1ccc2c(c1)OCO2 ZINC000033466976 212941448 /nfs/dbraw/zinc/94/14/48/212941448.db2.gz LFGBPLVCYUWUNB-XQRVVYSFSA-N 0 0 331.165 4.074 50 30 EIEARN Cc1cccc(C(C2C(=O)CCCC2=O)C2C(=O)CCCC2=O)c1 ZINC000000383963 209562861 /nfs/dbraw/zinc/56/28/61/209562861.db2.gz RKUAZWZHVDLASN-UHFFFAOYSA-N 0 0 326.392 4.209 50 30 EIEARN COc1cc2c(cc1OC)C(Nc1cc(C)ccc1C)=NC(C)(C)C2 ZINC000000371925 209556501 /nfs/dbraw/zinc/55/65/01/209556501.db2.gz YLPYSCIBXXCOIY-UHFFFAOYSA-N 0 0 338.451 4.323 50 30 EIEARN Cc1noc2c1[C@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000072332302 216156450 /nfs/dbraw/zinc/15/64/50/216156450.db2.gz ORWXYMMVUVPUND-INIZCTEOSA-N 0 0 326.371 4.323 50 30 EIEARN Oc1ccc(Br)cc1/C=N/c1nc2c(s1)CCCC2 ZINC000000064298 209397030 /nfs/dbraw/zinc/39/70/30/209397030.db2.gz HTPRYOYZHXIPKS-LZYBPNLTSA-N 0 0 337.242 4.241 50 30 EIEARN Oc1cccc(/C=N/c2ccc(Br)c(Cl)c2)c1O ZINC000000065152 209397071 /nfs/dbraw/zinc/39/70/71/209397071.db2.gz UBDGIWFWXOPICF-FRKPEAEDSA-N 0 0 326.577 4.264 50 30 EIEARN CC(=O)c1ccc(N=Cc2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000000062182 209395636 /nfs/dbraw/zinc/39/56/36/209395636.db2.gz KTSPWFNOKRHHKP-RQZCQDPDSA-N 0 0 347.168 4.311 50 30 EIEARN CNc1c2ccccc2oc(=O)c1N/C([O-])=[NH+]/c1cccc(Cl)c1 ZINC000028048788 212597458 /nfs/dbraw/zinc/59/74/58/212597458.db2.gz HDEQFPLXOCVMEB-UHFFFAOYSA-N 0 0 343.770 4.146 50 30 EIEARN Cc1ccc(OCCC(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000023112631 212348671 /nfs/dbraw/zinc/34/86/71/212348671.db2.gz IYVBMNOAPRRAJM-UHFFFAOYSA-N 0 0 328.799 4.236 50 30 EIEARN Cc1occc1-c1nnc(SCC#Cc2ccc(Cl)cc2)o1 ZINC000075094308 216553914 /nfs/dbraw/zinc/55/39/14/216553914.db2.gz VGOZPSDZVWCERI-UHFFFAOYSA-N 0 0 330.796 4.435 50 30 EIEARN CNc1nnc(SCc2ccc(-c3ccccc3C#N)cc2)s1 ZINC000022416755 212297074 /nfs/dbraw/zinc/29/70/74/212297074.db2.gz APDLDOGDENUEBC-UHFFFAOYSA-N 0 0 338.461 4.411 50 30 EIEARN C=CCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](CC)C2 ZINC000022323055 212289648 /nfs/dbraw/zinc/28/96/48/212289648.db2.gz AEIKMOHBEPJJEE-LBPRGKRZSA-N 0 0 335.469 4.344 50 30 EIEARN CCN(CC)CN1c2ccccc2/C(=N/c2cccc(Cl)c2)C1=O ZINC000200018909 241040799 /nfs/dbraw/zinc/04/07/99/241040799.db2.gz OOXQJLFECGZFTE-UZYVYHOESA-N 0 0 341.842 4.107 50 30 EIEARN Cn1cccc1/C=C1/Oc2cc(OCc3ccccc3)ccc2C1=O ZINC000217992346 241290321 /nfs/dbraw/zinc/29/03/21/241290321.db2.gz CVSGNUVSTAWSKO-UDWIEESQSA-N 0 0 331.371 4.220 50 30 EIEARN CC(C)C[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1cccnc1)C3=O ZINC000218047377 241294613 /nfs/dbraw/zinc/29/46/13/241294613.db2.gz XEUJTYPMRZHBQW-KDVQLTRESA-N 0 0 349.386 4.137 50 30 EIEARN COc1cc(OC)c(C(=O)/C=C/c2cccc(C#N)c2)cc1Cl ZINC000021957542 212265996 /nfs/dbraw/zinc/26/59/96/212265996.db2.gz AVIPKCCPAPNNHB-VOTSOKGWSA-N 0 0 327.767 4.125 50 30 EIEARN O=[S@]1ON(c2ccccc2)[C@H](c2ccccc2)N1c1ccccc1 ZINC000230141841 242237389 /nfs/dbraw/zinc/23/73/89/242237389.db2.gz XCPJXMDAPAUDOS-CYFREDJKSA-N 0 0 336.416 4.222 50 30 EIEARN CC1(C)Cc2c(C#N)c(N3CCCC3)nc(-c3ccccc3)c2CO1 ZINC000020828894 212175449 /nfs/dbraw/zinc/17/54/49/212175449.db2.gz YEVWEXVUCUXUDX-UHFFFAOYSA-N 0 0 333.435 4.072 50 30 EIEARN CCCc1nc(N)c(C#N)c(-c2ccc(Cl)c([N+](=O)[O-])c2)c1CC ZINC000020291190 212116462 /nfs/dbraw/zinc/11/64/62/212116462.db2.gz XZSRTYKTGSQRMJ-UHFFFAOYSA-N 0 0 344.802 4.279 50 30 EIEARN Cc1c2sc3c(c2nc(N)c1C#N)[C@@H](c1cccs1)CC(=O)N3 ZINC000020150268 212106352 /nfs/dbraw/zinc/10/63/52/212106352.db2.gz NZLASQUGMHCDSW-MRVPVSSYSA-N 0 0 340.433 4.244 50 30 EIEARN CSc1nc(NCC(C)C)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820498 212071821 /nfs/dbraw/zinc/07/18/21/212071821.db2.gz VLHLWKPWAUPZBX-UHFFFAOYSA-N 0 0 332.860 4.458 50 30 EIEARN CC(C)CSc1nc(N2CCCC2)c2c(c1C#N)CC(C)(C)OC2 ZINC000019707685 212056052 /nfs/dbraw/zinc/05/60/52/212056052.db2.gz ZZDZDUSEFFUKSG-UHFFFAOYSA-N 0 0 345.512 4.153 50 30 EIEARN O=C1CCCC2=C1[C@@H](c1ccsc1)c1cc3c(cc1N2)OCO3 ZINC000018196692 211988573 /nfs/dbraw/zinc/98/85/73/211988573.db2.gz VYIXFQRWSUKKMR-KRWDZBQOSA-N 0 0 325.389 4.041 50 30 EIEARN COc1cc2c(cc1OC)C(Nc1ccc(Cl)cc1)=NC(C)(C)C2 ZINC000018141210 211983906 /nfs/dbraw/zinc/98/39/06/211983906.db2.gz IMFQTJBFTGELQT-UHFFFAOYSA-N 0 0 344.842 4.360 50 30 EIEARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000013735285 211625434 /nfs/dbraw/zinc/62/54/34/211625434.db2.gz BNLBUXDBQSTDRZ-KRWDZBQOSA-N 0 0 338.407 4.192 50 30 EIEARN Cc1nc(OCc2ccc(Cl)cc2)c(C#N)c2c1COC(C)(C)C2 ZINC000013693396 211614173 /nfs/dbraw/zinc/61/41/73/211614173.db2.gz AYVXEXZMCUZHAT-UHFFFAOYSA-N 0 0 342.826 4.345 50 30 EIEARN Cc1cc(C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C#N)no1 ZINC000013328090 211547422 /nfs/dbraw/zinc/54/74/22/211547422.db2.gz WAEPOPLXBKYVMC-UHFFFAOYSA-N 0 0 341.367 4.283 50 30 EIEARN C[C@H](C#N)Sc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C ZINC000012632280 211427763 /nfs/dbraw/zinc/42/77/63/211427763.db2.gz JOFQSDDFHBYVKU-GZBFAFLISA-N 0 0 327.457 4.095 50 30 EIEARN N#Cc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000012604225 211422270 /nfs/dbraw/zinc/42/22/70/211422270.db2.gz DYZXWKGFCNQHAD-UHFFFAOYSA-N 0 0 338.370 4.125 50 30 EIEARN N#Cc1cccc(Cn2c3ccccc3nc2C(=O)c2ccccc2)c1 ZINC000012375956 211360388 /nfs/dbraw/zinc/36/03/88/211360388.db2.gz VRWLHOUFCXFDKA-UHFFFAOYSA-N 0 0 337.382 4.187 50 30 EIEARN COc1ccc(/C(C)=N/OC(=O)c2ccc(Br)cc2)cc1 ZINC000012343331 211352029 /nfs/dbraw/zinc/35/20/29/211352029.db2.gz JIKXUGIXGBMUTL-WOJGMQOQSA-N 0 0 348.196 4.039 50 30 EIEARN CC(C)(C)/C(=N\Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000012367608 211357823 /nfs/dbraw/zinc/35/78/23/211357823.db2.gz RWAMUGICPPTWFD-VLGSPTGOSA-N 0 0 343.339 4.332 50 30 EIEARN C=CCCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1 ZINC000011716860 211239631 /nfs/dbraw/zinc/23/96/31/211239631.db2.gz VAKQBGQQBZCEDK-QGZVFWFLSA-N 0 0 341.430 4.107 50 30 EIEARN C=CCCC(=O)N1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000011706958 211238924 /nfs/dbraw/zinc/23/89/24/211238924.db2.gz FFKDEYQSDNYYMI-UHFFFAOYSA-N 0 0 332.403 4.346 50 30 EIEARN N#Cc1ccc(NC(=O)CNc2ccccc2-c2ccccc2)cc1 ZINC000011618720 211226981 /nfs/dbraw/zinc/22/69/81/211226981.db2.gz BIBIWEKRWGUDQP-UHFFFAOYSA-N 0 0 327.387 4.276 50 30 EIEARN N#Cc1ccc2nc(N[C@H](CO)c3ccc(Cl)c(F)c3)ccc2c1 ZINC000092941398 218181813 /nfs/dbraw/zinc/18/18/13/218181813.db2.gz DFCKSTUITKHZCB-QGZVFWFLSA-N 0 0 341.773 4.044 50 30 EIEARN CC(=O)Oc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccccc13)C2=O ZINC000009423257 211083108 /nfs/dbraw/zinc/08/31/08/211083108.db2.gz YTEGPRSNCKJQQO-VXLYETTFSA-N 0 0 347.370 4.028 50 30 EIEARN C[C@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2ccc(F)cc2)C1 ZINC000009009993 211030457 /nfs/dbraw/zinc/03/04/57/211030457.db2.gz HCJQGEGNSOSYCG-MPBGBICISA-N 0 0 347.393 4.443 50 30 EIEARN C=CCn1cnc2c(sc3nc(C(C)C)c4c(c32)CCCC4)c1=O ZINC000008993574 211029439 /nfs/dbraw/zinc/02/94/39/211029439.db2.gz CIUUCJCOUNPBMU-UHFFFAOYSA-N 0 0 339.464 4.194 50 30 EIEARN C[C@@H](NC(=O)N(Cc1ccccc1)CC(F)F)c1ccc(C#N)cc1 ZINC000095413285 218350446 /nfs/dbraw/zinc/35/04/46/218350446.db2.gz UFUYKNRDACFKJT-CQSZACIVSA-N 0 0 343.377 4.096 50 30 EIEARN CC(C)(C)OC(=O)NCc1cccc(NCc2cc(C#N)cs2)c1 ZINC000095428805 218370840 /nfs/dbraw/zinc/37/08/40/218370840.db2.gz NKVYVYUHXZLERO-UHFFFAOYSA-N 0 0 343.452 4.257 50 30 EIEARN COc1cc(/C=C/C(=O)c2nc3ccccc3s2)cc(OC)c1 ZINC000007335926 210784744 /nfs/dbraw/zinc/78/47/44/210784744.db2.gz LYNHMJJQZIESBX-BQYQJAHWSA-N 0 0 325.389 4.210 50 30 EIEARN CCCCOc1ccc(C(=O)OCc2ccccc2C#N)cc1OC ZINC000007152735 210763354 /nfs/dbraw/zinc/76/33/54/210763354.db2.gz ACJUWEUDCKIPRY-UHFFFAOYSA-N 0 0 339.391 4.103 50 30 EIEARN C=CCSc1ncc(Cl)c(C(=O)Nc2ccc(OCC)cc2)n1 ZINC000006748025 210701028 /nfs/dbraw/zinc/70/10/28/210701028.db2.gz XOMKFPGOJZNJFE-UHFFFAOYSA-N 0 0 349.843 4.059 50 30 EIEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c([S@@](C)=O)n2)cc1 ZINC000005659273 210509893 /nfs/dbraw/zinc/50/98/93/210509893.db2.gz UENMMWVPUFESPR-DEOSSOPVSA-N 0 0 332.428 4.333 50 30 EIEARN C=CCN(C(=O)/C=C\c1ccc(C#N)cc1)c1nc2c(s1)CCCC2 ZINC000096537002 218883007 /nfs/dbraw/zinc/88/30/07/218883007.db2.gz GOUMZFOGNZRRCL-QXMHVHEDSA-N 0 0 349.459 4.126 50 30 EIEARN O=C1c2ccc(OCc3ccccc3F)cc2O/C1=C\c1cccnc1 ZINC000005157066 210403070 /nfs/dbraw/zinc/40/30/70/210403070.db2.gz QVAQXZWLBXANHW-JMIUGGIZSA-N 0 0 347.345 4.416 50 30 EIEARN COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1O ZINC000005128001 210397075 /nfs/dbraw/zinc/39/70/75/210397075.db2.gz BPFGULKIZQRIBJ-VMPITWQZSA-N 0 0 347.208 4.368 50 30 EIEARN CN(C)c1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 ZINC000005068927 210383593 /nfs/dbraw/zinc/38/35/93/210383593.db2.gz PTJZCAZOEZCNSV-DHZHZOJOSA-N 0 0 330.225 4.411 50 30 EIEARN COc1cc2cc(/C=C/C(=O)c3ccco3)c(Cl)nc2cc1OC ZINC000004981105 210348491 /nfs/dbraw/zinc/34/84/91/210348491.db2.gz QJYJKKXYHKRBKK-AATRIKPKSA-N 0 0 343.766 4.395 50 30 EIEARN O=C(/C=C(/c1ccccc1)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000004957508 210338990 /nfs/dbraw/zinc/33/89/90/210338990.db2.gz GTQZVEXKNHQEDI-CYVLTUHYSA-N 0 0 336.391 4.305 50 30 EIEARN Cc1cccc(-n2c(SCCCC#N)nc3ccccc3c2=O)c1C ZINC000004929609 210328146 /nfs/dbraw/zinc/32/81/46/210328146.db2.gz FFYSODSWWLLHJP-UHFFFAOYSA-N 0 0 349.459 4.398 50 30 EIEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2C)C1 ZINC000004903051 210317920 /nfs/dbraw/zinc/31/79/20/210317920.db2.gz XRMGJAURZHNCJQ-KRWDZBQOSA-N 0 0 345.446 4.360 50 30 EIEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccn1 ZINC000004842703 210295787 /nfs/dbraw/zinc/29/57/87/210295787.db2.gz IQVUJYMMIJTTOV-UHFFFAOYSA-N 0 0 331.400 4.357 50 30 EIEARN CCOc1cc(C#N)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000004828603 210291097 /nfs/dbraw/zinc/29/10/97/210291097.db2.gz CUAVIVASJBCZQP-UHFFFAOYSA-N 0 0 332.743 4.098 50 30 EIEARN Cc1ncc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)s1 ZINC000330032094 258002174 /nfs/dbraw/zinc/00/21/74/258002174.db2.gz IEIXHLLWUGERQK-UHFFFAOYSA-N 0 0 349.415 4.208 50 30 EIEARN Cc1ccc2c(c1)nc(CNC(=O)Nc1ccsc1Cl)n2C ZINC000330032512 258002511 /nfs/dbraw/zinc/00/25/11/258002511.db2.gz OTSQHPYCAUFWIL-UHFFFAOYSA-N 0 0 334.832 4.123 50 30 EIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O)C1CCCCC1 ZINC000005164690 258002957 /nfs/dbraw/zinc/00/29/57/258002957.db2.gz RAWGHZIDBDGJHL-UNOMPAQXSA-N 0 0 349.386 4.184 50 30 EIEARN Cc1cccc2oc(CCNC(=O)[C@@H](c3cccnc3)C(C)C)nc21 ZINC000330031864 258003128 /nfs/dbraw/zinc/00/31/28/258003128.db2.gz FEQGGLWAOXDLJP-GOSISDBHSA-N 0 0 337.423 4.470 50 30 EIEARN C=C(C)COc1ccccc1C(=O)N(CC)[C@@H]1CCOC(C)(C)C1 ZINC000055054732 258015040 /nfs/dbraw/zinc/01/50/40/258015040.db2.gz JPAMFBXXHRDIHH-MRXNPFEDSA-N 0 0 331.456 4.061 50 30 EIEARN C=CCCC(=O)Nc1ccc(CN(C(=O)CCC=C)C2CC2)cc1 ZINC000072283670 258015463 /nfs/dbraw/zinc/01/54/63/258015463.db2.gz MHYGDXVDBNIGJG-UHFFFAOYSA-N 0 0 326.440 4.049 50 30 EIEARN C=CCNc1nnc(S[C@@H](C)c2nnc(-c3ccccc3)o2)s1 ZINC000007838170 258018140 /nfs/dbraw/zinc/01/81/40/258018140.db2.gz WHZFYHFVTWAFSY-JTQLQIEISA-N 0 0 345.453 4.039 50 30 EIEARN CCOc1cccc(/C=N/c2cccc(NC(=O)C(C)C)c2)c1O ZINC000004551703 258051135 /nfs/dbraw/zinc/05/11/35/258051135.db2.gz NEJUKJHIBXBSML-UDWIEESQSA-N 0 0 326.396 4.136 50 30 EIEARN CNC(=S)N(CCc1c(C)[nH]c2ccc(C)cc21)Cc1ccco1 ZINC000008860115 258053773 /nfs/dbraw/zinc/05/37/73/258053773.db2.gz KCUPXJSVUPZYPP-UHFFFAOYSA-N 0 0 341.480 4.338 50 30 EIEARN CCc1nc(C#N)c(N=NCc2ccc(-c3cccc(Cl)c3)o2)o1 ZINC000028467637 258057968 /nfs/dbraw/zinc/05/79/68/258057968.db2.gz NRUZTIPFORBORU-KEBDBYFISA-N 0 0 340.770 4.468 50 30 EIEARN C[C@H](NC(=O)c1ccccc1SCC#N)c1cccc(Cl)c1 ZINC000032973795 258059292 /nfs/dbraw/zinc/05/92/92/258059292.db2.gz QLHGNIGCVGDJFL-LBPRGKRZSA-N 0 0 330.840 4.447 50 30 EIEARN CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(OCC#N)cc1 ZINC000069666658 258063800 /nfs/dbraw/zinc/06/38/00/258063800.db2.gz PDBRNIOCWKOASE-MRXNPFEDSA-N 0 0 337.423 4.422 50 30 EIEARN N#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095671200 258067316 /nfs/dbraw/zinc/06/73/16/258067316.db2.gz NBBJALWGNSZLRP-UHFFFAOYSA-N 0 0 345.058 4.249 50 30 EIEARN CCN(CC)c1ccc(C=C2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000000121503 517641429 /nfs/dbraw/zinc/64/14/29/517641429.db2.gz DVGGJTWGPZXYGY-UHFFFAOYSA-N 0 0 335.403 4.004 50 30 EIEARN C#CCN(CC=C)Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000023338952 518256923 /nfs/dbraw/zinc/25/69/23/518256923.db2.gz GBJDCCFZLLAHQV-UHFFFAOYSA-N 0 0 334.341 4.290 50 30 EIEARN C=CCSc1nnc(NC(=O)c2oc3ccc(F)cc3c2C)s1 ZINC000008210598 519091557 /nfs/dbraw/zinc/09/15/57/519091557.db2.gz SNMCQCDDQGBQDX-UHFFFAOYSA-N 0 0 349.412 4.262 50 30 EIEARN C=CCc1ccc(OCCCCOc2ccccc2C=O)c(OC)c1 ZINC000002991150 519135316 /nfs/dbraw/zinc/13/53/16/519135316.db2.gz QJTLGSNFKTYHJA-UHFFFAOYSA-N 0 0 340.419 4.474 50 30 EIEARN C=CCc1ccc(OCCCCOc2ccc(C=O)cc2)c(OC)c1 ZINC000002985821 519136374 /nfs/dbraw/zinc/13/63/74/519136374.db2.gz AZLKZKUDODEYGQ-UHFFFAOYSA-N 0 0 340.419 4.474 50 30 EIEARN C=CCc1ccc(OCCCOc2ccc(C=O)cc2)c(OC)c1 ZINC000002985016 519136518 /nfs/dbraw/zinc/13/65/18/519136518.db2.gz ISXLDIWEDBZHJZ-UHFFFAOYSA-N 0 0 326.392 4.084 50 30 EIEARN C=CCc1ccc(OCCOc2cccc3cccnc32)c(OC)c1 ZINC000004702019 519138746 /nfs/dbraw/zinc/13/87/46/519138746.db2.gz JBZTXTSYMYFLKK-UHFFFAOYSA-N 0 0 335.403 4.430 50 30 EIEARN C=CCn1c(=O)c2ccccc2nc1SC/C=C/c1ccccc1 ZINC000001837061 519160868 /nfs/dbraw/zinc/16/08/68/519160868.db2.gz NYILYSHBUOQTOM-DHZHZOJOSA-N 0 0 334.444 4.388 50 30 EIEARN C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3n2C)c1C ZINC000012538852 519170964 /nfs/dbraw/zinc/17/09/64/519170964.db2.gz YOFJJVFWJOBHRB-UHFFFAOYSA-N 0 0 339.464 4.153 50 30 EIEARN C=CCn1ncc(CN(CC)Cc2cc(Cl)ccc2OC)c1C ZINC000055358932 519291107 /nfs/dbraw/zinc/29/11/07/519291107.db2.gz IOVASMCQHWMYDV-UHFFFAOYSA-N 0 0 333.863 4.062 50 30 EIEARN CCCOc1cc(/C=C/C(=O)c2coc(C(C)C)n2)ccc1OC ZINC000328589727 520299164 /nfs/dbraw/zinc/29/91/64/520299164.db2.gz JEXRYRVYJZTULD-SOFGYWHQSA-N 0 0 329.396 4.492 50 30 EIEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccs1)O2 ZINC000020503826 520417976 /nfs/dbraw/zinc/41/79/76/520417976.db2.gz BLEVZKYBZCXEDF-BOPFTXTBSA-N 0 0 343.448 4.302 50 30 EIEARN CCOc1ccc(-c2csc(N=NCc3ccc(F)cc3)n2)cc1 ZINC000006207756 520811583 /nfs/dbraw/zinc/81/15/83/520811583.db2.gz MMJKEYNTPYAYSC-RGVLZGJSSA-N 0 0 341.411 4.216 50 30 EIEARN CCN1c2ccccc2S/C1=C/C=C1/CC/C(=C\N(C)C)C1=O ZINC000102042039 521731046 /nfs/dbraw/zinc/73/10/46/521731046.db2.gz HXTIPBPALYEUDT-LENTZWJCSA-N 0 0 326.465 4.195 50 30 EIEARN COc1cc(/C=C\C(=O)c2cccc(Cl)c2)ccc1OCC#N ZINC000033466911 521984839 /nfs/dbraw/zinc/98/48/39/521984839.db2.gz OJKIQYABFPWAAR-ALCCZGGFSA-N 0 0 327.767 4.147 50 30 EIEARN COc1cc(CN=NC(=S)Nc2ccccc2)ccc1OC(C)C ZINC000005333248 522005667 /nfs/dbraw/zinc/00/56/67/522005667.db2.gz YRQWCWSHXDQWEE-UNOMPAQXSA-N 0 0 343.452 4.214 50 30 EIEARN COC(=O)C(CC(=O)c1ccc(Cl)cc1)=Nc1ccc(C)cc1 ZINC000100711444 522740818 /nfs/dbraw/zinc/74/08/18/522740818.db2.gz YRBRNLRQVQZDKJ-LFIBNONCSA-N 0 0 329.783 4.000 50 30 EIEARN Cc1nc(C#N)c(N=NCc2ccc(-c3ccccc3Cl)o2)o1 ZINC000006479705 526632449 /nfs/dbraw/zinc/63/24/49/526632449.db2.gz DLNITHWMDVUMCA-DJKKODMXSA-N 0 0 326.743 4.214 50 30 EIEARN NC(=NOCc1csc(Cc2ccccc2)n1)C1CCCCC1 ZINC000063458742 526804312 /nfs/dbraw/zinc/80/43/12/526804312.db2.gz KDEHVELXHQTFIC-UHFFFAOYSA-N 0 0 329.469 4.103 50 30 EIEARN O=C(CNc1cccc(C#Cc2cccs2)c1)NC1CCCCC1 ZINC000029934100 526896459 /nfs/dbraw/zinc/89/64/59/526896459.db2.gz VVHFGJYPYHOOTF-UHFFFAOYSA-N 0 0 338.476 4.009 50 30 EIEARN O=C1Nc2ccccc2C1=NNc1c(Cl)cc(Cl)cc1Cl ZINC000004092615 527090947 /nfs/dbraw/zinc/09/09/47/527090947.db2.gz SKEAPXUOALFCCA-UHFFFAOYSA-N 0 0 340.597 4.415 50 30 EIEARN CN(C)c1ccc(C(=O)/C=C/c2cccc(Br)c2)cc1 ZINC000006831948 564033580 /nfs/dbraw/zinc/03/35/80/564033580.db2.gz HKADDJINKQEVLY-IZZDOVSWSA-N 0 0 330.225 4.411 50 30 EIEARN CCN(CC)OC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000000075942 563216899 /nfs/dbraw/zinc/21/68/99/563216899.db2.gz CVTGIKAULKOFRP-UHFFFAOYSA-N 0 0 343.210 4.370 50 30 EIEARN O=c1oc2ccccc2cc1-c1csc(N=NC2CCCC2)n1 ZINC000000076942 563217252 /nfs/dbraw/zinc/21/72/52/563217252.db2.gz SXHHQYKEDCRGGT-UHFFFAOYSA-N 0 0 325.393 4.258 50 30 EIEARN Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)/C=C/N(C)C ZINC000000124057 563235873 /nfs/dbraw/zinc/23/58/73/563235873.db2.gz GGJXBZYFPHNVKE-VOTSOKGWSA-N 0 0 325.195 4.215 50 30 EIEARN CC(/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O)=C\c1ccccc1 ZINC000000130810 563238367 /nfs/dbraw/zinc/23/83/67/563238367.db2.gz YBWCPSCAAJZPFI-SNRRJUOISA-N 0 0 331.419 4.290 50 30 EIEARN O=C(/C=C/OC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000000161112 563249000 /nfs/dbraw/zinc/24/90/00/563249000.db2.gz JITGUANFFXDMGD-MDZDMXLPSA-N 0 0 338.256 4.398 50 30 EIEARN COc1ccc([C@H](C#N)c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000000168578 563249936 /nfs/dbraw/zinc/24/99/36/563249936.db2.gz OJPMQXDPMGPQGW-LBPRGKRZSA-N 0 0 326.705 4.418 50 30 EIEARN N#CC(=NNc1ccc(F)c(Cl)c1)C(=O)c1ccc(Cl)cc1 ZINC000000168798 563250350 /nfs/dbraw/zinc/25/03/50/563250350.db2.gz ZKULFSMYRSFHKE-KGENOOAVSA-N 0 0 336.153 4.307 50 30 EIEARN COc1ccc([C@H]2Nc3n[nH]c(C)c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000173464 563252209 /nfs/dbraw/zinc/25/22/09/563252209.db2.gz OVHKJRCBVNGXCU-GOSISDBHSA-N 0 0 337.423 4.036 50 30 EIEARN Cc1cccc(C)c1/N=C1/C(=O)Nc2ccc(Br)cc21 ZINC000000189558 563255931 /nfs/dbraw/zinc/25/59/31/563255931.db2.gz PNLYMVJJFSTPHY-UHFFFAOYSA-N 0 0 329.197 4.139 50 30 EIEARN O=C1c2ccccc2S/C1=C\c1ccc(O)c(Br)c1 ZINC000000195423 563257668 /nfs/dbraw/zinc/25/76/68/563257668.db2.gz CZMMANAKRAVDER-ZSOIEALJSA-N 0 0 333.206 4.484 50 30 EIEARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc4ccccc4n32)cc1 ZINC000000222556 563262711 /nfs/dbraw/zinc/26/27/11/563262711.db2.gz OFNWKPNBXDOOHX-HXUWFJFHSA-N 0 0 345.402 4.067 50 30 EIEARN Cc1ccc(/C=N/n2cnc3sc(C)c(-c4ccccc4)c3c2=O)o1 ZINC000000351597 563289741 /nfs/dbraw/zinc/28/97/41/563289741.db2.gz CDXYQGVXLVKAQC-UFFVCSGVSA-N 0 0 349.415 4.217 50 30 EIEARN COc1ccc(/N=C2/c3cccc4c3N(C2=O)C(C)(C)C[C@@H]4C)cc1 ZINC000000488677 563338383 /nfs/dbraw/zinc/33/83/83/563338383.db2.gz OMBTWUORMCVDFH-ZZUBKFDBSA-N 0 0 334.419 4.448 50 30 biogenic EIEARN O=S(=O)(NC1CCCCC1)c1ccc(/N=C/c2cccs2)cc1 ZINC000000586789 563351734 /nfs/dbraw/zinc/35/17/34/563351734.db2.gz JKUKCSFMJFWVTO-QGOAFFKASA-N 0 0 348.493 4.110 50 30 EIEARN NC(=O)c1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1 ZINC000000588213 563352204 /nfs/dbraw/zinc/35/22/04/563352204.db2.gz IWHVHBNTUGYSIL-OEAKJJBVSA-N 0 0 330.387 4.115 50 30 EIEARN CC(C)(C)C(=O)C1=C(C(C)(C)C)O[C@](C)(c2ccccc2)OC1=O ZINC000000715606 563362728 /nfs/dbraw/zinc/36/27/28/563362728.db2.gz QSQGXJKMYBNWGN-FQEVSTJZSA-N 0 0 330.424 4.348 50 30 EIEARN Cc1ccc(N2CCN(/N=C/C(Cl)=C/c3ccccc3)CC2)cc1 ZINC000001743495 563409268 /nfs/dbraw/zinc/40/92/68/563409268.db2.gz KEVIBRDTBLUSJN-IKBLCIQTSA-N 0 0 339.870 4.383 50 30 EIEARN Cc1ccc(N2CCN(/N=C\c3cccc4ccccc34)CC2)cc1 ZINC000005009166 563518577 /nfs/dbraw/zinc/51/85/77/563518577.db2.gz NHNKQZNGVJBAFY-QJOMJCCJSA-N 0 0 329.447 4.304 50 30 EIEARN COc1ccc(C=NNc2nc3ccccc3[nH]2)c2c(OC)cccc12 ZINC000005400719 563531433 /nfs/dbraw/zinc/53/14/33/563531433.db2.gz JJWSDOVNHOPDRC-CIAFOILYSA-N 0 0 346.390 4.179 50 30 EIEARN COc1ccc([C@H]2CC(=O)C=C(Nc3ccccc3C)C2)cc1OC ZINC000008416064 563629780 /nfs/dbraw/zinc/62/97/80/563629780.db2.gz XOLHBINFUXPTQO-MRXNPFEDSA-N 0 0 337.419 4.455 50 30 EIEARN O=C(Oc1oc(-c2ccco2)nc1/C=N/c1ccccc1)c1ccoc1 ZINC000013116036 563688477 /nfs/dbraw/zinc/68/84/77/563688477.db2.gz YEUSDDRDTZYOCG-RGVLZGJSSA-N 0 0 348.314 4.497 50 30 EIEARN Cc1ccc(NC(=N\O)/C(=N/O)Nc2ccc(C)c(C)c2)cc1C ZINC000013286593 563694197 /nfs/dbraw/zinc/69/41/97/563694197.db2.gz BGNPXXRPTZOHAA-UHFFFAOYSA-N 0 0 326.400 4.020 50 30 EIEARN CCN(CC)C(=O)c1cn(CCC#N)nc1-c1ccc2ccccc2c1 ZINC000004516872 563752436 /nfs/dbraw/zinc/75/24/36/563752436.db2.gz JPELQPOFLNSWDZ-UHFFFAOYSA-N 0 0 346.434 4.099 50 30 EIEARN C=CCn1c2ccccc2nc1SCc1noc(CC(C)C)n1 ZINC000032908184 563800083 /nfs/dbraw/zinc/80/00/83/563800083.db2.gz HUIUKQGWMPZLKN-UHFFFAOYSA-N 0 0 328.441 4.096 50 30 EIEARN CCC(C)N=Nc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 ZINC000016577073 563814776 /nfs/dbraw/zinc/81/47/76/563814776.db2.gz QRAXXHXEBBKGIT-RGVLZGJSSA-N 0 0 340.452 4.262 50 30 EIEARN CC(C)(C)c1ccc(S(=O)(=O)NN=C2CCCCCCC2)cc1 ZINC000017070781 563833228 /nfs/dbraw/zinc/83/32/28/563833228.db2.gz SPBCRWBXBJEOJX-UHFFFAOYSA-N 0 0 336.501 4.363 50 30 EIEARN CCc1ccc(/N=C2\S/C(=C/c3ccccc3O)C(=O)N2C)cc1 ZINC000017167563 563839217 /nfs/dbraw/zinc/83/92/17/563839217.db2.gz JLCJEWDTOIJVNF-QHHAONBESA-N 0 0 338.432 4.188 50 30 EIEARN COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1 ZINC000018054376 563847450 /nfs/dbraw/zinc/84/74/50/563847450.db2.gz STVBNDPXBLZJNV-GDNBJRDFSA-N 0 0 344.823 4.240 50 30 EIEARN Cc1cc(Nc2ccc(N(C)C)cc2)n2c3ccccc3nc2c1C#N ZINC000018148552 563849701 /nfs/dbraw/zinc/84/97/01/563849701.db2.gz DDVDVDQUDISFFI-UHFFFAOYSA-N 0 0 341.418 4.477 50 30 EIEARN N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1cccs1 ZINC000018276071 563851941 /nfs/dbraw/zinc/85/19/41/563851941.db2.gz GMSZMJHZXRMFTC-UHFFFAOYSA-N 0 0 348.456 4.428 50 30 EIEARN COc1ccc2c(c1)CC/C(=C\C=C\c1ccccc1[N+](=O)[O-])C2=O ZINC000025759313 563887998 /nfs/dbraw/zinc/88/79/98/563887998.db2.gz NLGHWQRUTDLDSD-HUSDYWJVSA-N 0 0 335.359 4.372 50 30 EIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)C1CC1 ZINC000013776995 563933058 /nfs/dbraw/zinc/93/30/58/563933058.db2.gz NOZHZAFBEPLJPP-MFOYZWKCSA-N 0 0 340.762 4.272 50 30 EIEARN N#Cc1ccc(C#CCOC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000003129165 563962821 /nfs/dbraw/zinc/96/28/21/563962821.db2.gz RBSVXIQRGNWDLQ-UHFFFAOYSA-N 0 0 345.185 4.465 50 30 EIEARN C=C(C)c1nc(C#N)c(N=NCc2ccc(OCCC(C)C)cc2)o1 ZINC000096319310 563980736 /nfs/dbraw/zinc/98/07/36/563980736.db2.gz RYXYGRRUGUOTLO-CIAFOILYSA-N 0 0 338.411 4.450 50 30 EIEARN Cc1ccc(CNc2oc(COc3ccc(C)cc3)nc2C#N)cc1 ZINC000000108081 563986543 /nfs/dbraw/zinc/98/65/43/563986543.db2.gz IUYBJCJAYHYYCS-UHFFFAOYSA-N 0 0 333.391 4.354 50 30 EIEARN C=CCOc1ccccc1/C=N\CC/N=C\c1ccccc1OCC=C ZINC000100208974 563987598 /nfs/dbraw/zinc/98/75/98/563987598.db2.gz MZDHAGBXYCWHTO-BOYKQRMESA-N 0 0 348.446 4.354 50 30 EIEARN N#Cc1ccc(-c2csc(NC(=O)c3c(F)cccc3F)n2)cc1 ZINC000000180433 563987820 /nfs/dbraw/zinc/98/78/20/563987820.db2.gz WYTYYPOKSSAPIG-UHFFFAOYSA-N 0 0 341.342 4.212 50 30 EIEARN Cc1ccc(CNc2oc(-c3ccc([N+](=O)[O-])cc3)nc2C#N)cc1 ZINC000000192200 563988184 /nfs/dbraw/zinc/98/81/84/563988184.db2.gz NYACFXILSKQLTN-UHFFFAOYSA-N 0 0 334.335 4.042 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccc(C)cc1 ZINC000000203592 563988449 /nfs/dbraw/zinc/98/84/49/563988449.db2.gz JWMOABHPEGOXNJ-LPHOPBHVSA-N 0 0 340.444 4.376 50 30 EIEARN C=CCn1c(C)cc(C2=NN/C(=N\c3ccc(C)cc3)SC2)c1C ZINC000005156916 563995123 /nfs/dbraw/zinc/99/51/23/563995123.db2.gz IHZDHSHWJXSNQZ-UHFFFAOYSA-N 0 0 338.480 4.328 50 30 EIEARN CCOC(=O)c1ccc(NC=CC(=O)c2ccc(Cl)cc2)cc1 ZINC000000276626 563996670 /nfs/dbraw/zinc/99/66/70/563996670.db2.gz XWQHQBVFYBGKID-VAWYXSNFSA-N 0 0 329.783 4.325 50 30 EIEARN CC(C)C[C@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000137299232 563998316 /nfs/dbraw/zinc/99/83/16/563998316.db2.gz NTFTULBKHJJQAW-OAHLLOKOSA-N 0 0 337.419 4.139 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccccc1Cl ZINC000000428102 563998857 /nfs/dbraw/zinc/99/88/57/563998857.db2.gz KANHWBFBHPFEDX-KSSFIOAISA-N 0 0 344.794 4.252 50 30 EIEARN CC(=O)NC1([C@@H]2CCCCC2N=Nc2ccccc2)CCCCC1 ZINC000005296512 564002411 /nfs/dbraw/zinc/00/24/11/564002411.db2.gz MVNWOGDGNANAIL-KYLWWAFNSA-N 0 0 327.472 4.484 50 30 EIEARN Cc1c2c(ccc1OC(=O)c1ccco1)C(=O)/C(=C/c1ccco1)O2 ZINC000005389864 564003506 /nfs/dbraw/zinc/00/35/06/564003506.db2.gz UDXFJAFLVDWVHO-YBEGLDIGSA-N 0 0 336.299 4.016 50 30 EIEARN N#Cc1ccc(-c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000003260469 564004324 /nfs/dbraw/zinc/00/43/24/564004324.db2.gz FCKQUTNPZWHNAX-UHFFFAOYSA-N 0 0 344.326 4.353 50 30 EIEARN C=CCOc1ccc(C=C2SC(NC3CCCCC3)=NC2=O)cc1 ZINC000097990778 564016842 /nfs/dbraw/zinc/01/68/42/564016842.db2.gz NLWYGOBVCHTANE-GHRIWEEISA-N 0 0 342.464 4.144 50 30 EIEARN Cc1ccsc1[C@H]1c2cc3c(cc2NC2=C1C(=O)CCC2)OCO3 ZINC000018196704 564018672 /nfs/dbraw/zinc/01/86/72/564018672.db2.gz RHDJLELLUWWBKB-KRWDZBQOSA-N 0 0 339.416 4.350 50 30 EIEARN COc1cc2c(cc1OC)[C@@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000018197246 564018712 /nfs/dbraw/zinc/01/87/12/564018712.db2.gz MFUSKTZICVNKBV-SFHVURJKSA-N 0 0 341.432 4.330 50 30 EIEARN COc1cc2c(cc1OC)[C@@H](c1ccsc1)C1=C(CCCC1=O)N2 ZINC000018196945 564018721 /nfs/dbraw/zinc/01/87/21/564018721.db2.gz KQMMYYOLESNPKJ-GOSISDBHSA-N 0 0 341.432 4.330 50 30 EIEARN C[C@]1([C@@H]2CC[C@@H]3[C@@H]4CC(=O)[C@@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)CO1 ZINC000012657031 564021487 /nfs/dbraw/zinc/02/14/87/564021487.db2.gz MXNIOJVTFHRXCI-KJYRFASTSA-N 0 0 344.495 4.182 50 30 biogenic EIEARN FC(F)(F)c1cccc(NC(=S)N/N=C/c2cccs2)c1 ZINC000000545846 564022714 /nfs/dbraw/zinc/02/27/14/564022714.db2.gz GRRPOYVCABRONK-CAOOACKPSA-N 0 0 329.372 4.087 50 30 EIEARN CCOc1ccc(C/N=C/c2cc(Cl)ccc2O)cc1OCC ZINC000044835579 564027283 /nfs/dbraw/zinc/02/72/83/564027283.db2.gz MLVQKEVKDDOUJM-UDWIEESQSA-N 0 0 333.815 4.462 50 30 EIEARN COc1cc(Cl)c(C)cc1NC=CC(=O)c1ccc2c(c1)OCO2 ZINC000044842807 564027373 /nfs/dbraw/zinc/02/73/73/564027373.db2.gz LFLYVPDUTDUIEO-AATRIKPKSA-N 0 0 345.782 4.194 50 30 EIEARN COc1ccc(C(=O)C=CNc2cccc3c2CCCC3)cc1OC ZINC000044843563 564027435 /nfs/dbraw/zinc/02/74/35/564027435.db2.gz YAHYEFZGCVYSFG-OUKQBFOZSA-N 0 0 337.419 4.391 50 30 EIEARN Cc1ccccc1C[C@@H]1S/C(=N/c2ccc(Cl)cc2)NC1=O ZINC000005752691 564027743 /nfs/dbraw/zinc/02/77/43/564027743.db2.gz YEYUDVMRSGMWDR-HNNXBMFYSA-N 0 0 330.840 4.110 50 30 EIEARN CCCN(CC#N)C(=O)c1ccc(CSc2nc(C)cs2)cc1 ZINC000044979934 564028035 /nfs/dbraw/zinc/02/80/35/564028035.db2.gz FRLTZWCCGYOUHM-UHFFFAOYSA-N 0 0 345.493 4.120 50 30 EIEARN C=CCn1c2ccc(NC(=O)Nc3cc(C)ccc3C)cc2oc1=O ZINC000046010563 564029150 /nfs/dbraw/zinc/02/91/50/564029150.db2.gz DSRKBXHVYMGGRE-UHFFFAOYSA-N 0 0 337.379 4.041 50 30 EIEARN CCCc1occc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000342640805 564036647 /nfs/dbraw/zinc/03/66/47/564036647.db2.gz XWFNBOGZPIAILH-GFCCVEGCSA-N 0 0 343.333 4.467 50 30 EIEARN CN1C=CC(=CC2=CC(=C3C(=O)c4ccccc4C3=O)CCC2)C=C1 ZINC000685944323 564051380 /nfs/dbraw/zinc/05/13/80/564051380.db2.gz DAOYFAPDVDKEIX-UHFFFAOYSA-N 0 0 329.399 4.372 50 30 EIEARN C=C1C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(O)C(C)=O ZINC000253536107 564053645 /nfs/dbraw/zinc/05/36/45/564053645.db2.gz CAHSRYQWSFJFGS-SPZHGEQOSA-N 0 0 342.479 4.005 50 30 EIEARN C=CCn1c(C)c(/C=C2\SC(=O)N(CC)C2=O)c2ccccc21 ZINC000001007617 564054004 /nfs/dbraw/zinc/05/40/04/564054004.db2.gz LJZAXCOMHZCBTF-WJDWOHSUSA-N 0 0 326.421 4.192 50 30 EIEARN CCc1ccc(NC(=O)CSc2nc(C(C)C)ccc2C#N)cc1 ZINC000001010323 564054078 /nfs/dbraw/zinc/05/40/78/564054078.db2.gz QNVDHQSYRIQXFU-UHFFFAOYSA-N 0 0 339.464 4.370 50 30 EIEARN Cc1ccc(-n2c(SCCCC#N)nc3ccccc3c2=O)c(C)c1 ZINC000005991613 564057507 /nfs/dbraw/zinc/05/75/07/564057507.db2.gz SGBRYGDIBRWIRI-UHFFFAOYSA-N 0 0 349.459 4.398 50 30 EIEARN COc1ccc(-c2cnc(SCC#N)n2Cc2ccccc2)cc1 ZINC000044085442 564059484 /nfs/dbraw/zinc/05/94/84/564059484.db2.gz CCALDCKLXQXINB-UHFFFAOYSA-N 0 0 335.432 4.223 50 30 EIEARN N#C[C@H]1CCCN(C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC000299776240 564060837 /nfs/dbraw/zinc/06/08/37/564060837.db2.gz LXUCKJICAKHNBA-SNVBAGLBSA-N 0 0 329.347 4.066 50 30 EIEARN N#C[C@@H](c1ccc(N2CCCC2)nn1)c1ccc(Cl)cc1Cl ZINC000001401098 564065007 /nfs/dbraw/zinc/06/50/07/564065007.db2.gz RVTOCVNXLLKJQV-CYBMUJFWSA-N 0 0 333.222 4.039 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@@H]2c1ccccc1C(F)(F)F ZINC000001424262 564066729 /nfs/dbraw/zinc/06/67/29/564066729.db2.gz QPBOUTDSIJYZAY-LLVKDONJSA-N 0 0 338.325 4.379 50 30 EIEARN Cc1nnc(-c2cccc(C#N)c2)n1[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000084291153 564067652 /nfs/dbraw/zinc/06/76/52/564067652.db2.gz BWSAJHLCEKERQO-LBPRGKRZSA-N 0 0 335.411 4.020 50 30 EIEARN N#CCCSc1ccccc1NC(=O)c1ccc(-n2cccc2)nc1 ZINC000084542806 564068650 /nfs/dbraw/zinc/06/86/50/564068650.db2.gz FWCYUFNIOWXFMK-UHFFFAOYSA-N 0 0 348.431 4.130 50 30 EIEARN C#CCn1c2ccccc2nc1Sc1ccc(C(F)(F)F)cn1 ZINC000005479787 564070564 /nfs/dbraw/zinc/07/05/64/564070564.db2.gz WEJFAZYRYKRFRU-UHFFFAOYSA-N 0 0 333.338 4.235 50 30 EIEARN Cc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1 ZINC000006046498 564072609 /nfs/dbraw/zinc/07/26/09/564072609.db2.gz YYNWKRKHOLQTTK-KRWDZBQOSA-N 0 0 340.810 4.159 50 30 EIEARN CC(C)(C#CC(O)(c1ccccc1)c1ccccc1)[NH+]1CCCCC1 ZINC000001234562 564074684 /nfs/dbraw/zinc/07/46/84/564074684.db2.gz QSCFTSNMHZWOCY-UHFFFAOYSA-N 0 0 333.475 4.190 50 30 EIEARN C=CCN(CC=C)C(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002136560 564074802 /nfs/dbraw/zinc/07/48/02/564074802.db2.gz JHPNYXCQMQMKGU-UHFFFAOYSA-N 0 0 336.460 4.042 50 30 EIEARN COc1ccc(C(C)N=Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000035653422 564076130 /nfs/dbraw/zinc/07/61/30/564076130.db2.gz ZUDBGBXWOBSCTQ-KGENOOAVSA-N 0 0 337.448 4.385 50 30 EIEARN C=C[C@](C)(C[C@@H](OC)[C@]1(C)C2=C(CCC2=O)CC[C@@H]1C)[C@@H](O)CC ZINC000101140215 564076352 /nfs/dbraw/zinc/07/63/52/564076352.db2.gz LECQFYAXBMWBMJ-ZBWGKUOUSA-N 0 0 334.500 4.450 50 30 EIEARN C=CCN(CC=C)Cn1nc(Nc2ccccc2F)sc1=S ZINC000025285866 564078924 /nfs/dbraw/zinc/07/89/24/564078924.db2.gz WGJSWLHMPAHRNA-UHFFFAOYSA-N 0 0 336.461 4.188 50 30 EIEARN CSc1ccc(NC(=O)N(CCC#N)CCC(F)(F)F)cc1F ZINC000088391062 564079060 /nfs/dbraw/zinc/07/90/60/564079060.db2.gz IUYWHECMZQBEQG-UHFFFAOYSA-N 0 0 349.353 4.248 50 30 EIEARN O=C(Cc1ccccc1F)Nc1cccc(C#Cc2cccs2)c1 ZINC000027860047 564079184 /nfs/dbraw/zinc/07/91/84/564079184.db2.gz UGJVQALYDFVJMK-UHFFFAOYSA-N 0 0 335.403 4.468 50 30 EIEARN CC(C)(C#N)C(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000075148044 564080791 /nfs/dbraw/zinc/08/07/91/564080791.db2.gz ZLMILESLDMBODJ-UHFFFAOYSA-N 0 0 348.328 4.332 50 30 EIEARN C[C@@H]1C[C@H](C)CN(c2oc(COc3ccccc3Cl)nc2C#N)C1 ZINC000016294411 564081390 /nfs/dbraw/zinc/08/13/90/564081390.db2.gz WYRLOBUVSHWFSW-BETUJISGSA-N 0 0 345.830 4.261 50 30 EIEARN C=CCN(Sc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O ZINC000039931391 564087159 /nfs/dbraw/zinc/08/71/59/564087159.db2.gz MTHPTAYFZDYVOM-UHFFFAOYSA-N 0 0 344.823 4.046 50 30 EIEARN C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CCC21OCCO1 ZINC000253527783 564089496 /nfs/dbraw/zinc/08/94/96/564089496.db2.gz AOYBIWCQSGSYJF-MFKWGIFDSA-N 0 0 328.452 4.037 50 30 EIEARN Cc1cc2ccccc2n1CC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000006714676 564096326 /nfs/dbraw/zinc/09/63/26/564096326.db2.gz TYMOIVHICOFNQW-UHFFFAOYSA-N 0 0 349.459 4.400 50 30 EIEARN COc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCCCC2)cc1 ZINC000006768406 564097417 /nfs/dbraw/zinc/09/74/17/564097417.db2.gz UVKYUWMVUZSIPP-UHFFFAOYSA-N 0 0 349.438 4.344 50 30 EIEARN N#CCCSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F ZINC000006830388 564099027 /nfs/dbraw/zinc/09/90/27/564099027.db2.gz KPRNNNMSVIJSKW-UHFFFAOYSA-N 0 0 342.374 4.218 50 30 EIEARN N#Cc1ccccc1OCc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000006879129 564100423 /nfs/dbraw/zinc/10/04/23/564100423.db2.gz WGSWXGDVGOABDB-UHFFFAOYSA-N 0 0 337.404 4.128 50 30 EIEARN CC(C)c1nnc(-c2sccc2NC(=O)c2ccc(C#N)cc2)o1 ZINC000065218710 564102918 /nfs/dbraw/zinc/10/29/18/564102918.db2.gz YKRQORJQDVBEQP-UHFFFAOYSA-N 0 0 338.392 4.045 50 30 EIEARN N#Cc1ccccc1COC(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000007006007 564103044 /nfs/dbraw/zinc/10/30/44/564103044.db2.gz DTZUMEDHAQPUSX-UHFFFAOYSA-N 0 0 341.366 4.146 50 30 EIEARN C[C@@H](C#N)CSc1ccccc1NC(=O)c1c(F)cccc1F ZINC000065453216 564106072 /nfs/dbraw/zinc/10/60/72/564106072.db2.gz XKDDMZVKMDWUPG-NSHDSACASA-N 0 0 332.375 4.469 50 30 EIEARN N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000007268448 564106177 /nfs/dbraw/zinc/10/61/77/564106177.db2.gz BAXMTUXMGKVJEH-UHFFFAOYSA-N 0 0 347.399 4.124 50 30 EIEARN Cc1sc(-n2c(C)ccc2C)c(C(=O)N(C)C[C@@H](C)C#N)c1C ZINC000065549872 564107386 /nfs/dbraw/zinc/10/73/86/564107386.db2.gz GTVQDUXTGMZQDB-NSHDSACASA-N 0 0 329.469 4.004 50 30 EIEARN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)c1ccc2ccccc2c1 ZINC000007493994 564109149 /nfs/dbraw/zinc/10/91/49/564109149.db2.gz QHBWBILKGADNBE-OAHLLOKOSA-N 0 0 329.403 4.175 50 30 EIEARN Cc1ccc(NC(=S)NN=Cc2ccc(Br)cc2)cc1 ZINC000252460483 564118654 /nfs/dbraw/zinc/11/86/54/564118654.db2.gz FSVLADKEGZSUPO-UHFFFAOYSA-N 0 0 348.269 4.078 50 30 EIEARN COc1ccc(C=Nc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000252462736 564118770 /nfs/dbraw/zinc/11/87/70/564118770.db2.gz VTZAUUWDYATFOJ-UHFFFAOYSA-N 0 0 325.286 4.353 50 30 EIEARN C=CCOc1ccc(CNCc2nc3ccccc3[nH]2)cc1Cl ZINC000170650911 564120367 /nfs/dbraw/zinc/12/03/67/564120367.db2.gz BKTRHHPBGZMVEU-UHFFFAOYSA-N 0 0 327.815 4.071 50 30 EIEARN N#Cc1cccc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 ZINC000170651988 564120563 /nfs/dbraw/zinc/12/05/63/564120563.db2.gz QKVSBSBKCMHKIS-CHWSQXEVSA-N 0 0 336.279 4.121 50 30 EIEARN COc1ccc(-c2nc(N=NC(C)C(F)(F)F)sc2C)cc1 ZINC000252591149 564120949 /nfs/dbraw/zinc/12/09/49/564120949.db2.gz AXWLYPUTIFJAFF-UHFFFAOYSA-N 0 0 329.347 4.477 50 30 EIEARN CCOc1ccccc1/C=C1\SC(=Nc2ccccc2)N(C)C1=O ZINC000252594831 564121093 /nfs/dbraw/zinc/12/10/93/564121093.db2.gz BVFFZLFHPGHFSM-KLAKZEAMSA-N 0 0 338.432 4.319 50 30 EIEARN CCc1cccc(CC)c1NC(=O)CON=C(C)c1cccs1 ZINC000252623651 564122959 /nfs/dbraw/zinc/12/29/59/564122959.db2.gz OWGHQNUBNVZOHE-UHFFFAOYSA-N 0 0 330.453 4.252 50 30 EIEARN CCCn1c(C)cc(C(=O)COc2ccc(C#N)cc2Cl)c1C ZINC000007856951 564124266 /nfs/dbraw/zinc/12/42/66/564124266.db2.gz CEGKPPDKDSOXNU-UHFFFAOYSA-N 0 0 330.815 4.302 50 30 EIEARN O=[N+]([O-])c1cccc(C=Nc2c(-c3ccco3)nc3ccccn32)c1 ZINC000252642057 564124725 /nfs/dbraw/zinc/12/47/25/564124725.db2.gz ZJIAKMSJDBSOSG-UHFFFAOYSA-N 0 0 332.319 4.253 50 30 EIEARN CCCCCCCn1cc(C(=O)OCC)c(=O)c2cc(F)ccc21 ZINC000002276133 564125634 /nfs/dbraw/zinc/12/56/34/564125634.db2.gz XPVZOYPGAJQXEA-UHFFFAOYSA-N 0 0 333.403 4.288 50 30 EIEARN CC[C@H](C)C(=O)Oc1ccn2c1-c1c(C#N)c3ccccc3nc1CC2 ZINC000035615833 564129203 /nfs/dbraw/zinc/12/92/03/564129203.db2.gz DONRXGXMKBHHGC-ZDUSSCGKSA-N 0 0 345.402 4.083 50 30 EIEARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(C#N)ccn1 ZINC000253406063 564130652 /nfs/dbraw/zinc/13/06/52/564130652.db2.gz VIEWLQNMYYQPIY-SNVBAGLBSA-N 0 0 334.206 4.093 50 30 EIEARN O=C(/C=C/c1cccs1)c1ccc(I)cc1 ZINC000005156278 564130676 /nfs/dbraw/zinc/13/06/76/564130676.db2.gz AUFXPMODKSMAMW-BQYQJAHWSA-N 0 0 340.185 4.249 50 30 EIEARN C[C@]1([C@@H]2CC[C@@H]3[C@@H]4CC(=O)[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)CO1 ZINC000253499736 564132738 /nfs/dbraw/zinc/13/27/38/564132738.db2.gz MXNIOJVTFHRXCI-NQFVEBELSA-N 0 0 344.495 4.182 50 30 EIEARN Cc1c(C#N)c2nc3ccccc3n2c(-n2ccnc2)c1CCC(C)C ZINC000000085751 564132777 /nfs/dbraw/zinc/13/27/77/564132777.db2.gz VICOLIDMSHIBIZ-UHFFFAOYSA-N 0 0 343.434 4.442 50 30 EIEARN COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000000090845 564132826 /nfs/dbraw/zinc/13/28/26/564132826.db2.gz NZUYSPBFJXOUJJ-UHFFFAOYSA-N 0 0 332.812 4.023 50 30 EIEARN Cc1c(C)n(Cc2cccs2)c(NC(=O)c2cccs2)c1C#N ZINC000000120596 564132874 /nfs/dbraw/zinc/13/28/74/564132874.db2.gz HQGLFNDIOWKOJR-UHFFFAOYSA-N 0 0 341.461 4.400 50 30 EIEARN Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1 ZINC000000141568 564132911 /nfs/dbraw/zinc/13/29/11/564132911.db2.gz LGMCKKQCTVDWNI-UHFFFAOYSA-N 0 0 340.448 4.133 50 30 EIEARN Cc1cccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1C ZINC000000141580 564132932 /nfs/dbraw/zinc/13/29/32/564132932.db2.gz YJZXNVUSERROGD-UHFFFAOYSA-N 0 0 340.448 4.133 50 30 EIEARN C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CC(O)=C(C=O)C[C@@]43C)[C@H]1CC[C@]2(C)O ZINC000253529915 564132993 /nfs/dbraw/zinc/13/29/93/564132993.db2.gz ICMWWNHDUZJFDW-PVTWSSNSSA-N 0 0 332.484 4.401 50 30 EIEARN CC[NH+](CC)Cc1c2c(ccc1[O-])c(C#N)c(C)n2-c1ccccc1 ZINC000000292365 564133085 /nfs/dbraw/zinc/13/30/85/564133085.db2.gz CFACSVXDTRUGNU-UHFFFAOYSA-N 0 0 333.435 4.358 50 30 EIEARN COc1ccc([C@@H]2C[C@H]2/C(C)=N/OC(=O)c2ccc(F)cc2)cc1 ZINC000012350607 564135145 /nfs/dbraw/zinc/13/51/45/564135145.db2.gz JSTWPIVFSOQCCS-KQWOTGNYSA-N 0 0 327.355 4.171 50 30 EIEARN N#Cc1ccc(-c2cccnc2)nc1SCCOc1ccccc1 ZINC000013282895 564136164 /nfs/dbraw/zinc/13/61/64/564136164.db2.gz ZSGZKCLRILCFFK-UHFFFAOYSA-N 0 0 333.416 4.186 50 30 EIEARN C[C@@H](NC(=O)N1CCC(c2c[nH]cn2)CC1)c1cccc2ccccc21 ZINC000328587699 564136561 /nfs/dbraw/zinc/13/65/61/564136561.db2.gz FLCAEJSISQNYSH-OAHLLOKOSA-N 0 0 348.450 4.418 50 30 EIEARN Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)CC[C@H]1CCCO1 ZINC000328591504 564136731 /nfs/dbraw/zinc/13/67/31/564136731.db2.gz NKAPPGBYBSIHBO-OXQOHEQNSA-N 0 0 340.423 4.019 50 30 EIEARN Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)CC[C@@H]1CCCO1 ZINC000328591503 564136747 /nfs/dbraw/zinc/13/67/47/564136747.db2.gz NKAPPGBYBSIHBO-OXJNMPFZSA-N 0 0 340.423 4.019 50 30 EIEARN Cc1csc(-c2cccc(C(=O)[C@H](C#N)c3nc(C)cc(C)n3)c2)n1 ZINC000078869141 564137281 /nfs/dbraw/zinc/13/72/81/564137281.db2.gz KFXTWMVYKPZYBN-INIZCTEOSA-N 0 0 348.431 4.015 50 30 EIEARN N#CCCSc1ccccc1-n1c(=O)c2ccccc2[nH]c1=S ZINC000095944760 564142134 /nfs/dbraw/zinc/14/21/34/564142134.db2.gz FILJCIBWQWJEFL-UHFFFAOYSA-N 0 0 339.445 4.054 50 30 EIEARN CCc1nc(C(C#N)C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)sc1C ZINC000095956292 564142548 /nfs/dbraw/zinc/14/25/48/564142548.db2.gz GHPXIFAEBKBZEL-QLFBSQMISA-N 0 0 328.412 4.133 50 30 EIEARN Cc1cc(Cl)nc(NC(=N)Nc2ccc(Cl)c3ccccc23)n1 ZINC000096027625 564145002 /nfs/dbraw/zinc/14/50/02/564145002.db2.gz VAFVYDQNOWLKAH-UHFFFAOYSA-N 0 0 346.221 4.303 50 30 EIEARN CCOC(=O)c1ccc(/C=C\C(=O)c2sc(C(C)(C)C)nc2C)o1 ZINC000096035405 564145127 /nfs/dbraw/zinc/14/51/27/564145127.db2.gz NZZPKXZKKUELRZ-CLFYSBASSA-N 0 0 347.436 4.415 50 30 EIEARN O=C(/C=C\c1nccn1CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000096297232 564146589 /nfs/dbraw/zinc/14/65/89/564146589.db2.gz DHALQNUCJNWVRO-PLNGDYQASA-N 0 0 348.246 4.360 50 30 EIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(F)ccc3F)sc2C1 ZINC000002751963 564152467 /nfs/dbraw/zinc/15/24/67/564152467.db2.gz MRCZLWXIXDBWKV-SECBINFHSA-N 0 0 332.375 4.275 50 30 EIEARN N#Cc1ccc(COC(=O)c2c3ccccc3nc3c2CCCC3)cc1 ZINC000003229170 564156310 /nfs/dbraw/zinc/15/63/10/564156310.db2.gz JYYHCZPZXSXIOC-UHFFFAOYSA-N 0 0 342.398 4.342 50 30 EIEARN N#Cc1ccc(COc2ccc3c(c2)oc(=O)c2c3CCCC2)cc1 ZINC000003231378 564156363 /nfs/dbraw/zinc/15/63/63/564156363.db2.gz AHPMGBASZWNSDJ-UHFFFAOYSA-N 0 0 331.371 4.122 50 30 EIEARN N#Cc1ccc(Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 ZINC000003299666 564157040 /nfs/dbraw/zinc/15/70/40/564157040.db2.gz SIEQRLPSXHJWPM-UHFFFAOYSA-N 0 0 343.411 4.045 50 30 EIEARN N#Cc1c(F)cccc1N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000058342053 564158765 /nfs/dbraw/zinc/15/87/65/564158765.db2.gz RLCIIDJMVPZGKF-KRWDZBQOSA-N 0 0 338.382 4.200 50 30 EIEARN CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC ZINC000008214428 564163592 /nfs/dbraw/zinc/16/35/92/564163592.db2.gz ZQBULZYTDGUSSK-KRWDZBQOSA-N 0 0 344.492 4.155 50 30 world EIEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@@H]3CC[C@]21C ZINC000245219517 564168724 /nfs/dbraw/zinc/16/87/24/564168724.db2.gz POZRVZJJTULAOH-XJQPKEKPSA-N 0 0 337.463 4.221 50 30 in-vitro EIEARN N#CCCN(Cc1cccnc1)C(=O)CCc1ccc2ccccc2c1 ZINC000069510448 564169999 /nfs/dbraw/zinc/16/99/99/564169999.db2.gz GNNGDWLIXUMKRM-UHFFFAOYSA-N 0 0 343.430 4.110 50 30 EIEARN CN(Cc1cccc(C#N)c1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000069520016 564170130 /nfs/dbraw/zinc/17/01/30/564170130.db2.gz GUPZNFIFZALKIU-KRWDZBQOSA-N 0 0 346.352 4.253 50 30 EIEARN COc1ccccc1[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000069566038 564170524 /nfs/dbraw/zinc/17/05/24/564170524.db2.gz OFGDDQKGRBRAEO-RRFJBIMHSA-N 0 0 348.427 4.285 50 30 EIEARN Cc1cc(C#N)nc(N2CCC(c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000588012126 1019583617 /nfs/dbraw/zinc/58/36/17/1019583617.db2.gz WPWQYQLXRCWDDZ-UHFFFAOYSA-N 0 0 346.356 4.060 50 30 EIEARN CCCCn1c(C=NN=c2[nH]c3ccccc3[nH]2)nc2ccccc21 ZINC000254646662 1020723741 /nfs/dbraw/zinc/72/37/41/1020723741.db2.gz VRDUYENILPANKB-UHFFFAOYSA-N 0 0 332.411 4.159 50 30 EIEARN O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1ncoc1C1CC1 ZINC000328854855 1022192394 /nfs/dbraw/zinc/19/23/94/1022192394.db2.gz CNEBBGNQDLTNQK-JTQLQIEISA-N 0 0 339.178 4.297 50 30 EIEARN [O-]C(=[NH+][C@@H]1CCCc2occc21)N1CCCn2c(cc3ccccc32)C1 ZINC000329240109 1022574363 /nfs/dbraw/zinc/57/43/63/1022574363.db2.gz MKYZBRZMFPXWMI-GOSISDBHSA-N 0 0 349.434 4.432 50 30 EIEARN CC1(C)CC(=O)C(=CN[C@H](c2cccs2)c2ccccc2)C(=O)C1 ZINC000101018605 1023277603 /nfs/dbraw/zinc/27/76/03/1023277603.db2.gz VWCWPYXQPPEXIQ-IBGZPJMESA-N 0 0 339.460 4.269 50 30 EIEARN Cc1ccc2c(c1)CC[C@@H](C(=O)NCc1nc3cccc(C)c3n1C)O2 ZINC000330002208 1023613122 /nfs/dbraw/zinc/61/31/22/1023613122.db2.gz AVYKKQYEWVJLIM-SFHVURJKSA-N 0 0 349.434 4.040 50 30 EIEARN O=C(/C=C\c1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000096926340 1023627909 /nfs/dbraw/zinc/62/79/09/1023627909.db2.gz XAKUCMPOFZHYRD-KTKRTIGZSA-N 0 0 343.289 4.236 50 30 EIEARN N#Cc1ccc(C(=O)/C=C/c2ccc(OCc3cscn3)cc2)cc1 ZINC000025048281 1026316980 /nfs/dbraw/zinc/31/69/80/1026316980.db2.gz BKPUBVXHZRBTTJ-BJMVGYQFSA-N 0 0 346.411 4.490 50 30 EIEARN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C ZINC000119078379 1029662237 /nfs/dbraw/zinc/66/22/37/1029662237.db2.gz NKZLRJOJLCHNQR-KRUBMYLRSA-N 0 0 330.468 4.306 50 30 EIEARN COc1cccc(C=NN=C(c2ccccc2)c2ccccc2)c1O ZINC000254441349 1037931430 /nfs/dbraw/zinc/93/14/30/1037931430.db2.gz NMXHHBSPFFDJDI-UHFFFAOYSA-N 0 0 330.387 4.272 50 30 EIEARN COC(=O)c1ccccc1-c1ccc(/C=C\C(=O)c2ccc(O)cc2)o1 ZINC000209989519 1038207174 /nfs/dbraw/zinc/20/71/74/1038207174.db2.gz KOYPLTLHWVQCHL-BENRWUELSA-N 0 0 348.354 4.335 50 30 EIEARN Cc1nc(-c2ccc([C@H](C)NC(=O)C3(C#N)CCCC3)cc2)cs1 ZINC000030229936 1042495996 /nfs/dbraw/zinc/49/59/96/1042495996.db2.gz RKIGPYFSOLTCPZ-ZDUSSCGKSA-N 0 0 339.464 4.380 50 30 EIEARN CC(=NN=C(C(=O)c1ccccc1)c1ccccc1)c1cccnc1 ZINC000606346922 1043066742 /nfs/dbraw/zinc/06/67/42/1043066742.db2.gz GCSZBOOAQPOVKW-UHFFFAOYSA-N 0 0 327.387 4.178 50 30 EIEARN N#Cc1ccnc(/C=C\c2cn(-c3cccc(Cl)c3Cl)nn2)c1 ZINC000606442410 1043067159 /nfs/dbraw/zinc/06/71/59/1043067159.db2.gz JXGDIWFQQQKNKS-PLNGDYQASA-N 0 0 342.189 4.011 50 30 EIEARN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C[C@@H]2CC[C@H](C)C2)c1C ZINC000131183730 1045172346 /nfs/dbraw/zinc/17/23/46/1045172346.db2.gz QMFJENSZPDTYCS-SUMWQHHRSA-N 0 0 336.439 4.126 50 30 EIEARN C#CCCC1(CCC(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)N=N1 ZINC000952883135 1049681296 /nfs/dbraw/zinc/68/12/96/1049681296.db2.gz WZEGXRGFFOCCNB-HNNXBMFYSA-N 0 0 345.393 4.027 50 30 EIEARN C=C(C)COc1ccccc1NC(=O)[C@@H](c1ccccc1F)N(C)C ZINC000952961623 1049681628 /nfs/dbraw/zinc/68/16/28/1049681628.db2.gz ILBJPXPHVXNHFN-LJQANCHMSA-N 0 0 342.414 4.022 50 30 EIEARN O=C1c2cc(Br)ccc2SC/C1=C/c1cccnc1 ZINC000063412147 1052659282 /nfs/dbraw/zinc/65/92/82/1052659282.db2.gz IRUYQVLOLSNULT-WDZFZDKYSA-N 0 0 332.222 4.216 50 30 EIEARN COc1ccc([C@H]2CC(=O)C=C(Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000004741412 210265197 /nfs/dbraw/zinc/26/51/97/210265197.db2.gz FWLNTIXIXWTFFC-CQSZACIVSA-N 0 0 338.363 4.046 50 30 EIEARN COc1ccc(OC)c(C(=O)C=CNc2cccc(Cl)c2F)c1 ZINC000051318566 214088328 /nfs/dbraw/zinc/08/83/28/214088328.db2.gz SBYRBZNESMDTRT-CMDGGOBGSA-N 0 0 335.762 4.305 50 30 EIEARN Cc1sc(NC(=O)CN2CCC[C@H](C)C2)nc1-c1ccccc1 ZINC000051452614 214095299 /nfs/dbraw/zinc/09/52/99/214095299.db2.gz SUUQNGSDHBCADQ-ZDUSSCGKSA-N 0 0 329.469 4.438 50 30 EIEARN Cc1sc(NC(=O)CN2CCC[C@@H](C)C2)nc1-c1ccccc1 ZINC000051452616 214095543 /nfs/dbraw/zinc/09/55/43/214095543.db2.gz SUUQNGSDHBCADQ-CYBMUJFWSA-N 0 0 329.469 4.438 50 30 EIEARN Cc1ccc(C(C)C)c(OCCNC(=O)Nc2ccccc2C#N)c1 ZINC000004717771 210258244 /nfs/dbraw/zinc/25/82/44/210258244.db2.gz OYVXZSYSBLBYDY-UHFFFAOYSA-N 0 0 337.423 4.191 50 30 EIEARN C=CCS[C@@H](C)C(=O)Nc1ccc(NC(=O)c2coc(C)c2)cc1 ZINC000055270623 214298838 /nfs/dbraw/zinc/29/88/38/214298838.db2.gz MLQQAHRDYXPWPM-ZDUSSCGKSA-N 0 0 344.436 4.087 50 30 EIEARN CN(C)c1ccc(C=C2CCCC(C(=O)C(F)(F)F)=C2O)cc1 ZINC000004663648 210241665 /nfs/dbraw/zinc/24/16/65/210241665.db2.gz NDHYTYCZKIARRD-PFJIKTSPSA-N 0 0 325.330 4.263 50 30 EIEARN O=C(/C(Br)=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000098003320 219067456 /nfs/dbraw/zinc/06/74/56/219067456.db2.gz BJQYMSRFVUZZMB-GXDHUFHOSA-N 0 0 332.153 4.214 50 30 EIEARN COCc1cc(C)nc2sc(N)c(/N=C/c3ccc(OC)cc3)c21 ZINC000004624153 210233264 /nfs/dbraw/zinc/23/32/64/210233264.db2.gz PAKNZEFRQMWSPC-AWQFTUOYSA-N 0 0 341.436 4.093 50 30 EIEARN CC(=NNc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004600481 210230281 /nfs/dbraw/zinc/23/02/81/210230281.db2.gz DNFFVIXNXOMPDZ-MHWRWJLKSA-N 0 0 334.173 4.193 50 30 EIEARN COc1cccc2cc(-c3cc(=O)oc4ccc(OCC#N)cc43)oc21 ZINC000004586246 210227198 /nfs/dbraw/zinc/22/71/98/210227198.db2.gz IJNAACUYXOSFAF-UHFFFAOYSA-N 0 0 347.326 4.117 50 30 EIEARN CC1(C)[C@@H]2CC[C@@]1(C)C(O)=C2C(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000100072070 219090100 /nfs/dbraw/zinc/09/01/00/219090100.db2.gz PEWOESYEGLBLNR-AMXGMDGSSA-N 0 0 348.258 4.030 50 30 EIEARN C=CCc1cc(C=O)cc(OC)c1OCCOc1ccc(C)cc1 ZINC000004502092 210206705 /nfs/dbraw/zinc/20/67/05/210206705.db2.gz ZKTWUIVENSBTEB-UHFFFAOYSA-N 0 0 326.392 4.002 50 30 EIEARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc2c1-c1ccccc1/C2=N/O ZINC000100620569 219102823 /nfs/dbraw/zinc/10/28/23/219102823.db2.gz RWNPHXLIAIBUGH-IBNNLEKCSA-N 0 0 334.419 4.297 50 30 EIEARN C=CCO/N=C(/CCC)C1C(=O)CC(C[C@H](C)SCC)CC1=O ZINC000100683809 219104087 /nfs/dbraw/zinc/10/40/87/219104087.db2.gz JMZIBZMWNVZULD-JFWBAFSNSA-N 0 0 339.501 4.041 50 30 EIEARN CN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000100987400 219113136 /nfs/dbraw/zinc/11/31/36/219113136.db2.gz KKHJXFCUHRCMDK-QJKHVWQHSA-N 0 0 344.823 4.279 50 30 EIEARN CC(=CC(C)C)N=Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004322607 210170873 /nfs/dbraw/zinc/17/08/73/210170873.db2.gz HPAUXADHNCESSE-CAOOACKPSA-N 0 0 346.265 4.276 50 30 EIEARN CCCC(=O)O/N=C1/CC(C)(C)Cc2noc(Cc3ccccc3)c21 ZINC000004317380 210169348 /nfs/dbraw/zinc/16/93/48/210169348.db2.gz DNERJYADXZEFJW-JWGURIENSA-N 0 0 340.423 4.285 50 30 EIEARN CC(=O)Nc1sc(N=NCc2cccs2)nc1-c1cccs1 ZINC000004318518 210168647 /nfs/dbraw/zinc/16/86/47/210168647.db2.gz NMTQRCOHOLVLAU-OVCLIPMQSA-N 0 0 348.478 4.338 50 30 EIEARN COc1cccc(/C=N/c2ccc(NC(=O)c3ccccc3)cc2)c1O ZINC000004181466 210140937 /nfs/dbraw/zinc/14/09/37/210140937.db2.gz UHXSNVQRQIDRBH-HYARGMPZSA-N 0 0 346.386 4.404 50 30 EIEARN C=C(C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000004033431 210104439 /nfs/dbraw/zinc/10/44/39/210104439.db2.gz VEDJOJFRQFSFGQ-OAHLLOKOSA-N 0 0 349.409 4.272 50 30 EIEARN COc1ccc(C(=O)/C=C/c2ccccc2Br)c(OC)c1 ZINC000004010111 210100391 /nfs/dbraw/zinc/10/03/91/210100391.db2.gz ULOVNABNBPINDW-JXMROGBWSA-N 0 0 347.208 4.362 50 30 EIEARN CCc1nc2sc3c(c2c(NN=Cc2ccoc2)n1)CCCC3 ZINC000004018733 210101239 /nfs/dbraw/zinc/10/12/39/210101239.db2.gz LENMCSISPKDUFD-GIJQJNRQSA-N 0 0 326.425 4.172 50 30 EIEARN Cc1nn(C)c(Nc2ccccc2)c1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000003466674 210048760 /nfs/dbraw/zinc/04/87/60/210048760.db2.gz XTBKDDAYGLNLPA-XDHOZWIPSA-N 0 0 335.367 4.131 50 30 EIEARN Cc1cc(OCCCC(=O)Nc2ccc(C#N)cc2)ccc1Cl ZINC000003445018 210041391 /nfs/dbraw/zinc/04/13/91/210041391.db2.gz PFUQCOCNACEJBX-UHFFFAOYSA-N 0 0 328.799 4.318 50 30 EIEARN COc1cc(/C=C2\CCc3c(C)cc(C)cc3C2=O)ccc1OCC#N ZINC000003436984 210039129 /nfs/dbraw/zinc/03/91/29/210039129.db2.gz KKYTVTSDDVQXAB-SFQUDFHCSA-N 0 0 347.414 4.427 50 30 EIEARN CC(C)CN(C(=O)c1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000003405507 210029422 /nfs/dbraw/zinc/02/94/22/210029422.db2.gz KKCKPKJTEOHVEB-UHFFFAOYSA-N 0 0 335.432 4.471 50 30 EIEARN N#Cc1cccc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)c1 ZINC000003331047 210009432 /nfs/dbraw/zinc/00/94/32/210009432.db2.gz VVBMACNGBIBHBI-UHFFFAOYSA-N 0 0 326.570 4.166 50 30 EIEARN O=C(Nc1ccccc1)OCC#Cc1ccc(-c2ccccn2)s1 ZINC000003138478 209969995 /nfs/dbraw/zinc/96/99/95/209969995.db2.gz VZIWVCIUVCZSCU-UHFFFAOYSA-N 0 0 334.400 4.410 50 30 EIEARN N#Cc1c(N)nc(-c2ccco2)cc1-c1ccc([C@@H]2CCCO2)s1 ZINC000067742540 215200550 /nfs/dbraw/zinc/20/05/50/215200550.db2.gz URNNDQPVDODSQK-HNNXBMFYSA-N 0 0 337.404 4.375 50 30 EIEARN N#Cc1c(N)nc(-c2cccc(C(F)(F)F)c2)cc1-c1cccnc1 ZINC000067974633 215263798 /nfs/dbraw/zinc/26/37/98/215263798.db2.gz UCOMCDLZTXWWMO-UHFFFAOYSA-N 0 0 340.308 4.283 50 30 EIEARN Cc1oc(-c2ccccc2Cl)nc1COc1cccnc1C#N ZINC000067983513 215267760 /nfs/dbraw/zinc/26/77/60/215267760.db2.gz LRMCDFREFVVKRS-UHFFFAOYSA-N 0 0 325.755 4.149 50 30 EIEARN O=[N+]([O-])c1cccc(/C=N/N=C(c2ccccc2)c2ccccc2)c1 ZINC000002765753 209907257 /nfs/dbraw/zinc/90/72/57/209907257.db2.gz YXPSMOQHMOGFFV-RCCKNPSSSA-N 0 0 329.359 4.466 50 30 EIEARN CC(C)Oc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c(F)c1 ZINC000069350619 215386089 /nfs/dbraw/zinc/38/60/89/215386089.db2.gz NVGORAZAVLEOOD-UHFFFAOYSA-N 0 0 341.386 4.148 50 30 EIEARN Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 ZINC000001959779 209808316 /nfs/dbraw/zinc/80/83/16/209808316.db2.gz VPDAYLSTMOPQRB-CYBMUJFWSA-N 0 0 340.448 4.071 50 30 EIEARN N#CCOc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 ZINC000001915119 209804762 /nfs/dbraw/zinc/80/47/62/209804762.db2.gz MECHIQGDEOSJJP-UHFFFAOYSA-N 0 0 327.723 4.141 50 30 biogenic,in-vitro EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccccc1C ZINC000069374931 215392272 /nfs/dbraw/zinc/39/22/72/215392272.db2.gz ISCUIQDCCXSTCF-MJGOQNOKSA-N 0 0 340.444 4.376 50 30 EIEARN CN(Cc1cccc(C#N)c1)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000069520019 215456534 /nfs/dbraw/zinc/45/65/34/215456534.db2.gz GUPZNFIFZALKIU-QGZVFWFLSA-N 0 0 346.352 4.253 50 30 EIEARN C=CCSc1ccccc1NC(=O)[C@@H]1COc2ccccc2C1 ZINC000039998440 213249307 /nfs/dbraw/zinc/24/93/07/213249307.db2.gz BTUXTZYSBNEUPT-HNNXBMFYSA-N 0 0 325.433 4.155 50 30 EIEARN C=CCn1c(SCC(=C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000000506960 209638982 /nfs/dbraw/zinc/63/89/82/209638982.db2.gz NGWPVZJJTRKQPB-GFCCVEGCSA-N 0 0 346.521 4.437 50 30 EIEARN N#Cc1ccc(C(=O)Nc2ccc(OCc3cccs3)cc2)cc1 ZINC000036395177 213097208 /nfs/dbraw/zinc/09/72/08/213097208.db2.gz ORNLFBSWJNQUCA-UHFFFAOYSA-N 0 0 334.400 4.451 50 30 EIEARN CN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000036396130 213096801 /nfs/dbraw/zinc/09/68/01/213096801.db2.gz BVWGIOJZSTUSPX-UHFFFAOYSA-N 0 0 334.463 4.447 50 30 EIEARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(C#Cc2ccccc2)cc1 ZINC000000444857 209603853 /nfs/dbraw/zinc/60/38/53/209603853.db2.gz ZZBJJTAGAVBYHT-UHFFFAOYSA-N 0 0 341.366 4.067 50 30 EIEARN Fc1c(F)c(F)c(N=NCc2ccnc3ccccc23)c(F)c1F ZINC000036038142 213057756 /nfs/dbraw/zinc/05/77/56/213057756.db2.gz VQBGSBVVGUUAEJ-FINSYCMTSA-N 0 0 337.251 4.376 50 30 EIEARN COc1ccc(NC(=O)c2cccc(C#Cc3ccccc3)c2)cc1 ZINC000000437236 209600301 /nfs/dbraw/zinc/60/03/01/209600301.db2.gz DYKZEGAPXYEMOC-UHFFFAOYSA-N 0 0 327.383 4.347 50 30 EIEARN C=CCNc1nc(-c2nnc(-c3ccc(C)cc3)o2)nc2ccccc21 ZINC000035560905 213037615 /nfs/dbraw/zinc/03/76/15/213037615.db2.gz IMIUCOXVIOMZGK-UHFFFAOYSA-N 0 0 343.390 4.253 50 30 EIEARN N#Cc1c(N)nc(-c2cc(Cl)ccc2Cl)cc1[C@@H]1CCOC1 ZINC000071745604 215801173 /nfs/dbraw/zinc/80/11/73/215801173.db2.gz UTIOMUNNUWKRJX-SECBINFHSA-N 0 0 334.206 4.013 50 30 EIEARN C=CCOc1cc(C(=O)N(C)Cc2cccs2)cc2occc21 ZINC000072240226 216079363 /nfs/dbraw/zinc/07/93/63/216079363.db2.gz JYSRIBQKQORXHR-UHFFFAOYSA-N 0 0 327.405 4.331 50 30 EIEARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1ccc(C#N)cc1 ZINC000072277189 216103566 /nfs/dbraw/zinc/10/35/66/216103566.db2.gz CQHLIKHSVVFTQR-SFTDATJTSA-N 0 0 348.446 4.122 50 30 EIEARN Cc1c(C#N)c2nc3ccccc3n2c(N)c1Cc1ccc(Cl)cc1 ZINC000000390685 209567019 /nfs/dbraw/zinc/56/70/19/209567019.db2.gz ZHMDMQAHQIZXLI-UHFFFAOYSA-N 0 0 346.821 4.494 50 30 EIEARN COc1ccc(-c2nc(C(C)C)c(C#N)nc2C(C)C)cc1OC ZINC000000387554 209566639 /nfs/dbraw/zinc/56/66/39/209566639.db2.gz OGKFTKYMKDRCHG-UHFFFAOYSA-N 0 0 325.412 4.279 50 30 EIEARN C=CCc1cccc2cc(C(=O)Nc3c(C)cccc3C)c(=O)oc21 ZINC000000310412 209528639 /nfs/dbraw/zinc/52/86/39/209528639.db2.gz BHRIQGZMGYYOQS-UHFFFAOYSA-N 0 0 333.387 4.391 50 30 EIEARN CC(C)c1csc([C@@H]2CCCN(C(=O)C3(C#N)CCCC3)C2)n1 ZINC000072297221 216134831 /nfs/dbraw/zinc/13/48/31/216134831.db2.gz SNIIIAJEOXGDGH-CQSZACIVSA-N 0 0 331.485 4.056 50 30 EIEARN O=C1CC(c2ccccc2)CC(=O)C1=CNc1ccccc1Cl ZINC000000226370 209494919 /nfs/dbraw/zinc/49/49/19/209494919.db2.gz CCCWFMDSNHKKHL-UHFFFAOYSA-N 0 0 325.795 4.352 50 30 EIEARN O=C1NC(=Nc2cc(F)c(F)c(F)c2)C(=Cc2ccncc2)S1 ZINC000072400836 216194403 /nfs/dbraw/zinc/19/44/03/216194403.db2.gz IGXZGEFUBBZNOZ-XGICHPGQSA-N 0 0 335.310 4.231 50 30 EIEARN Cc1ccc(Nc2nc(C#N)c(C#N)nc2Nc2ccc(C)cc2)cc1 ZINC000000055951 209393254 /nfs/dbraw/zinc/39/32/54/209393254.db2.gz UUHJPJWFBKIDSS-UHFFFAOYSA-N 0 0 340.390 4.324 50 30 EIEARN COc1ccc(/C=N/c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000000045811 209387574 /nfs/dbraw/zinc/38/75/74/209387574.db2.gz VTZAUUWDYATFOJ-KEBDBYFISA-N 0 0 325.286 4.353 50 30 EIEARN CC1=NOC(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000023279546 212366547 /nfs/dbraw/zinc/36/65/47/212366547.db2.gz FLCWIQKXWDLTAQ-YVLHZVERSA-N 0 0 327.767 4.235 50 30 EIEARN Cc1ccc(-n2c(Nc3ccccc3C#N)c3[nH]cccc-3c2=O)cc1 ZINC000021107758 212207283 /nfs/dbraw/zinc/20/72/83/212207283.db2.gz PIMLRGZNFUPUAX-HXUWFJFHSA-N 0 0 340.386 4.033 50 30 EIEARN Clc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019790562 212067699 /nfs/dbraw/zinc/06/76/99/212067699.db2.gz VAEYKRLNDAXEIH-FYJGNVAPSA-N 0 0 348.277 4.145 50 30 EIEARN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)Nc1ccc(C#N)cn1 ZINC000110284292 220027915 /nfs/dbraw/zinc/02/79/15/220027915.db2.gz PEFABMCFJNIBKE-UHFFFAOYSA-N 0 0 348.431 4.254 50 30 EIEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccc3ccccc3c2)C1 ZINC000018219351 211991458 /nfs/dbraw/zinc/99/14/58/211991458.db2.gz IEMLZEMCIBUZFC-LJQANCHMSA-N 0 0 344.418 4.089 50 30 EIEARN CC(=O)/C(=N\Nc1ccccc1)SC#Cc1ccc(Cl)cc1 ZINC000018192099 211987466 /nfs/dbraw/zinc/98/74/66/211987466.db2.gz IQMCGAYKCFFOCE-LVZFUZTISA-N 0 0 328.824 4.397 50 30 EIEARN Cc1cccc(/N=C2\NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)c1 ZINC000018140450 211983939 /nfs/dbraw/zinc/98/39/39/211983939.db2.gz HLGFTOPICONZOJ-YVLHZVERSA-N 0 0 333.416 4.368 50 30 EIEARN N#CCc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000015029566 211791034 /nfs/dbraw/zinc/79/10/34/211791034.db2.gz ZAMSZJBTPBHQAE-UHFFFAOYSA-N 0 0 340.382 4.236 50 30 EIEARN COc1ccc(/N=C2/S/C(=C\c3ccc(C)s3)C(=O)N2C)cc1 ZINC000015010326 211787336 /nfs/dbraw/zinc/78/73/36/211787336.db2.gz SALPUDMJPCOCQX-VZYPWXMNSA-N 0 0 344.461 4.299 50 30 EIEARN N#Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000012981700 211498849 /nfs/dbraw/zinc/49/88/49/211498849.db2.gz YSNUTHNIOGHGMM-MRXNPFEDSA-N 0 0 347.443 4.188 50 30 EIEARN C=C(C)COc1ccc(-c2ncncc2-c2ccccc2OC)c(O)c1 ZINC000012477773 211392363 /nfs/dbraw/zinc/39/23/63/211392363.db2.gz AIJXJIIIVJEITK-UHFFFAOYSA-N 0 0 348.402 4.480 50 30 EIEARN Cc1ccc(/N=C2\C(=O)Nc3cc(Br)c(C)cc32)cc1 ZINC000012447508 211387392 /nfs/dbraw/zinc/38/73/92/211387392.db2.gz AHAQBVFGKWOQAG-UHFFFAOYSA-N 0 0 329.197 4.139 50 30 EIEARN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(F)cc3)S2)c1 ZINC000012446991 211385289 /nfs/dbraw/zinc/38/52/89/211385289.db2.gz NPJMDZOTPMZDBS-YBEGLDIGSA-N 0 0 326.396 4.334 50 30 EIEARN CSc1ccsc1C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000089895682 217876156 /nfs/dbraw/zinc/87/61/56/217876156.db2.gz AKEKLJWRPZEPCT-QGZVFWFLSA-N 0 0 330.478 4.115 50 30 EIEARN C=CCC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000011878298 211263497 /nfs/dbraw/zinc/26/34/97/211263497.db2.gz FOAKLBWCSYPGSV-SFHVURJKSA-N 0 0 337.467 4.240 50 30 EIEARN Cc1cc2c(c(O)c1)C(=O)/C(=C/c1ccc(Br)cc1)O2 ZINC000011865200 211260439 /nfs/dbraw/zinc/26/04/39/211260439.db2.gz VUOBVSKIBQTNRX-ZSOIEALJSA-N 0 0 331.165 4.079 50 30 biogenic EIEARN N#Cc1cccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c1 ZINC000010950498 211195993 /nfs/dbraw/zinc/19/59/93/211195993.db2.gz GXZPOAUGJGJXKG-OAQYLSRUSA-N 0 0 339.398 4.325 50 30 EIEARN C=C(C)CNC(=S)Nc1ccc(N2CCCCC2)c2ccncc12 ZINC000010941763 211195859 /nfs/dbraw/zinc/19/58/59/211195859.db2.gz KEJJSZMWCHNQFI-UHFFFAOYSA-N 0 0 340.496 4.088 50 30 EIEARN COc1ccc(SCCCC(=O)Nc2sccc2C#N)cc1 ZINC000010218048 211154776 /nfs/dbraw/zinc/15/47/76/211154776.db2.gz SPOVYFKSTAHORA-UHFFFAOYSA-N 0 0 332.450 4.139 50 30 EIEARN O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000009885058 211130829 /nfs/dbraw/zinc/13/08/29/211130829.db2.gz YAUOOIDNFDMEBN-ZZXKWVIFSA-N 0 0 333.174 4.059 50 30 EIEARN C=C(C)COc1cccc(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000009823824 211125184 /nfs/dbraw/zinc/12/51/84/211125184.db2.gz HERRMRZFODQNDZ-UHFFFAOYSA-N 0 0 331.799 4.312 50 30 EIEARN Oc1ccc(C=NNc2nc3ccccc3s2)cc1Br ZINC000009193476 211050631 /nfs/dbraw/zinc/05/06/31/211050631.db2.gz QDMNMGHSRYGUPR-LZYBPNLTSA-N 0 0 348.225 4.210 50 30 EIEARN CCCCCCCCCOc1ccc(/C(C)=N/NC(N)=S)cc1 ZINC000095595630 218444078 /nfs/dbraw/zinc/44/40/78/218444078.db2.gz RIPRNAROYJVUMZ-HMMYKYKNSA-N 0 0 335.517 4.373 50 30 EIEARN N#Cc1ccccc1CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000007328942 210784783 /nfs/dbraw/zinc/78/47/83/210784783.db2.gz LWEGROGBBQYWFG-UHFFFAOYSA-N 0 0 346.459 4.368 50 30 EIEARN COc1ccc(CSc2nc3ccccc3n2CCC#N)cc1F ZINC000006567123 210655603 /nfs/dbraw/zinc/65/56/03/210655603.db2.gz RJIKFEYJTCALNQ-UHFFFAOYSA-N 0 0 341.411 4.390 50 30 EIEARN CC(C)OCCCNc1oc([C@H]2C[C@H]2c2ccccc2)nc1C#N ZINC000096346454 218745563 /nfs/dbraw/zinc/74/55/63/218745563.db2.gz BQNVNLGDIVYEEB-HOTGVXAUSA-N 0 0 325.412 4.044 50 30 EIEARN COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000005629781 210505913 /nfs/dbraw/zinc/50/59/13/210505913.db2.gz FLGJKSGCZBMKCA-AWEZNQCLSA-N 0 0 346.386 4.126 50 30 EIEARN N#Cc1ccc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)cc1 ZINC000005268310 210430228 /nfs/dbraw/zinc/43/02/28/210430228.db2.gz ICVBZOBVHSNXKW-UHFFFAOYSA-N 0 0 337.379 4.002 50 30 EIEARN CC(=O)c1ccc(NC2=C(Br)C(=O)CC(C)(C)C2)cc1 ZINC000005186820 210409000 /nfs/dbraw/zinc/40/90/00/210409000.db2.gz JEHWYHDZBUAQKL-UHFFFAOYSA-N 0 0 336.229 4.297 50 30 EIEARN COc1cc(/C=C/C(=O)c2cc3ccccc3o2)cc(OC)c1OC ZINC000005129477 210396337 /nfs/dbraw/zinc/39/63/37/210396337.db2.gz VFDLHRNLZKPQNI-CMDGGOBGSA-N 0 0 338.359 4.355 50 30 EIEARN CC(N=Nc1nc(Cl)c(C#N)c(Cl)c1Cl)c1ccccn1 ZINC000004991692 210353049 /nfs/dbraw/zinc/35/30/49/210353049.db2.gz ANAKPBUSTKZYDX-SCDVKCJHSA-N 0 0 340.601 4.145 50 30 EIEARN O=C(C=CNc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000004991144 210352572 /nfs/dbraw/zinc/35/25/72/210352572.db2.gz KTMQFXFUQCDCBG-MDZDMXLPSA-N 0 0 347.168 4.166 50 30 EIEARN COc1ccc(C)cc1NN=C1C=CC(=O)c2nc(C=NO)ccc21 ZINC000004989820 210351029 /nfs/dbraw/zinc/35/10/29/210351029.db2.gz QBCDFYGUILUEAI-BQXUQRCCSA-N 0 0 336.351 4.481 50 30 EIEARN Cc1nc(SCc2ccc([N+](=O)[O-])cc2)c(C#N)c(C)c1Cl ZINC000000032750 208552079 /nfs/dbraw/zinc/55/20/79/208552079.db2.gz AULIHCRATDVDIK-UHFFFAOYSA-N 0 0 333.800 4.424 50 30 EIEARN CCCSC1=N/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)S1 ZINC000004907437 210319599 /nfs/dbraw/zinc/31/95/99/210319599.db2.gz GLKBVUZUERNNMQ-POHAHGRESA-N 0 0 342.829 4.362 50 30 EIEARN N#Cc1cc(N[C@H]2CCO[C@]3(CCSC3)C2)ccc1C(F)(F)F ZINC000097379216 219019974 /nfs/dbraw/zinc/01/99/74/219019974.db2.gz IDJXJQLNETULEQ-DZGCQCFKSA-N 0 0 342.386 4.044 50 30 EIEARN COc1cccc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)c1 ZINC000012999060 257859308 /nfs/dbraw/zinc/85/93/08/257859308.db2.gz LAIQEPCXPAQPDY-BQYQJAHWSA-N 0 0 332.783 4.262 50 30 EIEARN C=CCCc1ccccc1NC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000330033136 258001959 /nfs/dbraw/zinc/00/19/59/258001959.db2.gz WNEIGRRMPGSXDY-IBGZPJMESA-N 0 0 338.455 4.311 50 30 EIEARN N#C[C@@H](CCc1ccccc1)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000330032072 258003030 /nfs/dbraw/zinc/00/30/30/258003030.db2.gz HUHVBZBSMNBLPF-QGZVFWFLSA-N 0 0 330.391 4.437 50 30 EIEARN C=CCNC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000058380147 258014581 /nfs/dbraw/zinc/01/45/81/258014581.db2.gz HQWGROLTBAMCRR-GOSISDBHSA-N 0 0 331.868 4.465 50 30 EIEARN C=C(C)COc1ccccc1NC(=O)[C@H](C)Oc1ccc(OC)cc1 ZINC000009822779 258018270 /nfs/dbraw/zinc/01/82/70/258018270.db2.gz ZMBBPWRNYCFYRF-HNNXBMFYSA-N 0 0 341.407 4.056 50 30 EIEARN CC(C)COc1ccc(CNC(=S)NCc2ccccc2)cc1 ZINC000008829927 258053801 /nfs/dbraw/zinc/05/38/01/258053801.db2.gz XGMZBBCHNFWWKG-UHFFFAOYSA-N 0 0 328.481 4.297 50 30 EIEARN N#Cc1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000012878365 258055642 /nfs/dbraw/zinc/05/56/42/258055642.db2.gz BPLVAJZLJHUWMF-INIZCTEOSA-N 0 0 333.416 4.145 50 30 EIEARN CCOC(=O)c1sc(=Nc2ccc(Cl)cc2Cl)[nH]c1C ZINC000017196509 258056818 /nfs/dbraw/zinc/05/68/18/258056818.db2.gz FXAIPGPXKTYENW-DUQXYPDUSA-N 0 0 331.224 4.120 50 30 EIEARN CN(C)c1ccc(C(=O)/C=C/c2csc(-c3ccccn3)n2)cc1 ZINC000040139773 258059829 /nfs/dbraw/zinc/05/98/29/258059829.db2.gz FXRMGZDVLBDWCX-DHZHZOJOSA-N 0 0 335.432 4.167 50 30 EIEARN C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000095409906 258067090 /nfs/dbraw/zinc/06/70/90/258067090.db2.gz WXPXJOKLPSSJKJ-OAHLLOKOSA-N 0 0 348.406 4.311 50 30 EIEARN COc1ccc2[nH]cc(C3=CCN(c4cccc(F)c4C#N)CC3)c2c1 ZINC000058411409 132804232 /nfs/dbraw/zinc/80/42/32/132804232.db2.gz JYBHDXRBHYZZCU-UHFFFAOYSA-N 0 0 347.393 4.481 50 30 EIEARN C=C(C)COc1ccccc1/C=C1\N=C(c2ccccc2C)OC1=O ZINC000005748392 518620785 /nfs/dbraw/zinc/62/07/85/518620785.db2.gz IFQAYDBZPHVRMX-PDGQHHTCSA-N 0 0 333.387 4.294 50 30 EIEARN C=C(C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004385015 518640889 /nfs/dbraw/zinc/64/08/89/518640889.db2.gz JDOUMKSECXEDJS-OAHLLOKOSA-N 0 0 349.409 4.272 50 30 EIEARN C=CCc1ccc(OCCCOc2ccccc2C=O)c(OC)c1 ZINC000002985354 519138102 /nfs/dbraw/zinc/13/81/02/519138102.db2.gz YXEMGEMNPFUKSK-UHFFFAOYSA-N 0 0 326.392 4.084 50 30 EIEARN C=CCn1c(SCc2ccccc2)nnc1-c1ccccc1OC ZINC000004197241 519244181 /nfs/dbraw/zinc/24/41/81/519244181.db2.gz VKTKZOJDZFNJNS-UHFFFAOYSA-N 0 0 337.448 4.432 50 30 EIEARN C=CCn1cnnc1S[C@@H](C)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000025253138 519286386 /nfs/dbraw/zinc/28/63/86/519286386.db2.gz OCEWYIHLCIYKNW-KBPBESRZSA-N 0 0 344.484 4.097 50 30 EIEARN CCCCCCCCCCCC(=O)Oc1cccc(-n2cnnn2)c1 ZINC000100249964 519983286 /nfs/dbraw/zinc/98/32/86/519983286.db2.gz XUIGNJAFWHNOEC-UHFFFAOYSA-N 0 0 344.459 4.489 50 30 EIEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(C)cc1 ZINC000004626417 521026579 /nfs/dbraw/zinc/02/65/79/521026579.db2.gz BUTBGYOWKKIGQB-APWZRJJASA-N 0 0 343.467 4.496 50 30 EIEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(F)cc1 ZINC000004626420 521027748 /nfs/dbraw/zinc/02/77/48/521027748.db2.gz YZUGRMIYLDTCFB-RDTXWAMCSA-N 0 0 347.430 4.327 50 30 EIEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(F)cc1 ZINC000004626425 521167924 /nfs/dbraw/zinc/16/79/24/521167924.db2.gz YZUGRMIYLDTCFB-KSSFIOAISA-N 0 0 347.430 4.327 50 30 EIEARN CCc1ccc(CNC=CC(=O)c2ccc(Br)cc2)cc1 ZINC000017489477 523922018 /nfs/dbraw/zinc/92/20/18/523922018.db2.gz SOBZCOXJVNPSBE-VAWYXSNFSA-N 0 0 344.252 4.498 50 30 EIEARN Cc1cc(C(=O)Nc2ccccc2SCCC#N)nn1C(C)(C)C ZINC000108201449 524181790 /nfs/dbraw/zinc/18/17/90/524181790.db2.gz VGAVVOBZAPALHX-UHFFFAOYSA-N 0 0 342.468 4.205 50 30 EIEARN C[C@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCCOCC3)c2)C1 ZINC000328587095 524210247 /nfs/dbraw/zinc/21/02/47/524210247.db2.gz XWWWHNFRJRSFPS-LPHOPBHVSA-N 0 0 346.471 4.050 50 30 EIEARN CSCCCCC(=O)N1CCCc2c(NC(C)=O)ccc(C)c21 ZINC000328587695 525397322 /nfs/dbraw/zinc/39/73/22/525397322.db2.gz FJONSIGCQVWGKM-UHFFFAOYSA-N 0 0 334.485 4.415 50 30 EIEARN C[C@@H](SCc1ccccc1)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000048813308 525978654 /nfs/dbraw/zinc/97/86/54/525978654.db2.gz ONLVPBRHFIBPAL-UKRRQHHQSA-N 0 0 335.432 4.061 50 30 EIEARN S=C1N=NC(c2ccccc2)N1N=Cc1c(Cl)cccc1Cl ZINC000239038675 526389839 /nfs/dbraw/zinc/38/98/39/526389839.db2.gz DQUBJMKHLZVONH-UHFFFAOYSA-N 0 0 349.246 4.423 50 30 EIEARN N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)C1CC=CC1 ZINC000102734776 526506050 /nfs/dbraw/zinc/50/60/50/526506050.db2.gz QLTKVAZDSGXIPG-KRWDZBQOSA-N 0 0 346.386 4.092 50 30 EIEARN Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C\C(=O)c1cccc(O)c1 ZINC000096891387 527526686 /nfs/dbraw/zinc/52/66/86/527526686.db2.gz CBPTWCOSSKAJTC-KHPPLWFESA-N 0 0 336.366 4.230 50 30 EIEARN O=C(/C=C/c1ccc(/C=C\C(=O)c2cccnc2)cc1)c1cccnc1 ZINC000025692080 527604070 /nfs/dbraw/zinc/60/40/70/527604070.db2.gz QOLCJAWUMGMPQJ-DSOJMZEYSA-N 0 0 340.382 4.269 50 30 EIEARN O=C(C/C=N/OCc1ccc(F)cc1)c1cc(-c2ccccc2)no1 ZINC000004084963 527671472 /nfs/dbraw/zinc/67/14/72/527671472.db2.gz RCDILZRPEVSZAL-SRZZPIQSSA-N 0 0 338.338 4.256 50 30 EIEARN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1ccccn1 ZINC000096416156 537702636 /nfs/dbraw/zinc/70/26/36/537702636.db2.gz JWXXCVRKQDLWSN-SWLSCSKDSA-N 0 0 332.325 4.155 50 30 EIEARN COc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)C(C#N)C#N)cc1 ZINC000000401110 563305897 /nfs/dbraw/zinc/30/58/97/563305897.db2.gz FZOCWTJIZMLWSE-SFHVURJKSA-N 0 0 338.794 4.369 50 30 EIEARN Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C(N)=O)CCCC2 ZINC000000588087 563352191 /nfs/dbraw/zinc/35/21/91/563352191.db2.gz JJDNQJYYDKTOPB-UFFVCSGVSA-N 0 0 337.448 4.266 50 30 EIEARN ClC(/C=N/N1CCN(c2ccccc2)CC1)=C\c1ccccc1 ZINC000001743133 563409279 /nfs/dbraw/zinc/40/92/79/563409279.db2.gz RGTKOSWKGIVYRM-TXWVUNSISA-N 0 0 325.843 4.074 50 30 EIEARN CCCCn1c2ccccc2nc1/N=C/c1nc2ccccc2n1C ZINC000002066785 563420817 /nfs/dbraw/zinc/42/08/17/563420817.db2.gz KQVJOPLQVSXFJJ-KGENOOAVSA-N 0 0 331.423 4.474 50 30 EIEARN CSc1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000002695772 563446276 /nfs/dbraw/zinc/44/62/76/563446276.db2.gz YWCRLIIOCRMGKK-XSFVSMFZSA-N 0 0 345.899 4.218 50 30 EIEARN O=C(/C=C/c1ccccc1)O/N=C1/CCCc2oc3c(c21)CCCC3 ZINC000004186050 563497257 /nfs/dbraw/zinc/49/72/57/563497257.db2.gz PNFNZYFJQNNRPV-XGAWQWPPSA-N 0 0 335.403 4.455 50 30 EIEARN Cc1ccsc1CN=Nc1nc2ccccc2nc1C(F)(F)F ZINC000005423070 563532375 /nfs/dbraw/zinc/53/23/75/563532375.db2.gz AMGWPLUIFRRINT-UFWORHAWSA-N 0 0 336.342 4.465 50 30 EIEARN COc1cc(OC)c(C(=O)/C=C\c2ccc(Cl)cc2)cc1OC ZINC000005526576 563537415 /nfs/dbraw/zinc/53/74/15/563537415.db2.gz UEXCVIIXZMVKQH-TWGQIWQCSA-N 0 0 332.783 4.262 50 30 EIEARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CC#N ZINC000006047216 563558080 /nfs/dbraw/zinc/55/80/80/563558080.db2.gz YIGUWNIVIKQCQG-UHFFFAOYSA-N 0 0 348.811 4.097 50 30 EIEARN CCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccc(O)c1 ZINC000008438749 563630537 /nfs/dbraw/zinc/63/05/37/563630537.db2.gz LGNNLUMVRJYMKM-SFHVURJKSA-N 0 0 345.439 4.037 50 30 EIEARN Oc1ccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)c(O)c1 ZINC000013119762 563688404 /nfs/dbraw/zinc/68/84/04/563688404.db2.gz YRLJEEONIRTFQX-CIAFOILYSA-N 0 0 329.359 4.392 50 30 EIEARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc2c1-c1ccccc1/C2=N\O ZINC000013118423 563688547 /nfs/dbraw/zinc/68/85/47/563688547.db2.gz RWNPHXLIAIBUGH-QPRNHSFYSA-N 0 0 334.419 4.297 50 30 EIEARN O=C1Nc2ccccc2/C1=N/N(Cc1ccccc1)c1ccccc1 ZINC000013576466 563702541 /nfs/dbraw/zinc/70/25/41/563702541.db2.gz FWTZAACCGUZJJE-UHFFFAOYSA-N 0 0 327.387 4.050 50 30 EIEARN OC1CCC(NC(=S)Nc2ccc(SC(F)F)cc2)CC1 ZINC000013683941 563710783 /nfs/dbraw/zinc/71/07/83/563710783.db2.gz RVYNSAZOLHANAH-UHFFFAOYSA-N 0 0 332.441 4.003 50 30 EIEARN N=C(NOC(=O)c1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000004526042 563758437 /nfs/dbraw/zinc/75/84/37/563758437.db2.gz SYLUHTMVGSQMLR-UHFFFAOYSA-N 0 0 343.597 4.124 50 30 EIEARN CCC=C(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1=CCCCC1 ZINC000014923179 563767287 /nfs/dbraw/zinc/76/72/87/563767287.db2.gz QAIYAUUEYHUNIF-GSVDSPBDSA-N 0 0 330.344 4.347 50 30 EIEARN COc1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc1 ZINC000015009492 563771570 /nfs/dbraw/zinc/77/15/70/563771570.db2.gz HROXESYKDDDRDE-XNTDXEJSSA-N 0 0 344.823 4.240 50 30 EIEARN O=c1cc(C(F)(F)F)c2ccc(/N=C\c3ccccc3O)cc2o1 ZINC000015218612 563780013 /nfs/dbraw/zinc/78/00/13/563780013.db2.gz LDLCEBCEYWLLCV-NKVSQWTQSA-N 0 0 333.265 4.268 50 30 EIEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(F)cc(F)c1 ZINC000032905224 563791407 /nfs/dbraw/zinc/79/14/07/563791407.db2.gz GPSFVCRVJUGKQR-UHFFFAOYSA-N 0 0 334.325 4.012 50 30 EIEARN CCN(CC)c1ccc(/N=C2\C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000016678493 563820552 /nfs/dbraw/zinc/82/05/52/563820552.db2.gz GFDSVOCOLWMDEU-VZCXRCSSSA-N 0 0 334.423 4.028 50 30 EIEARN C[C@@H]1C[C@H](C)CN(CC(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000017067580 563831689 /nfs/dbraw/zinc/83/16/89/563831689.db2.gz PVBRXBJSIFSUIZ-OKILXGFUSA-N 0 0 329.469 4.376 50 30 EIEARN CC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccccc1 ZINC000018155911 563850107 /nfs/dbraw/zinc/85/01/07/563850107.db2.gz PMWXPUPDXYDMQY-OAQYLSRUSA-N 0 0 332.403 4.213 50 30 EIEARN CC(=O)Nc1cccc(C(=O)/C=C/c2csc(-c3ccco3)n2)c1 ZINC000058174863 563939103 /nfs/dbraw/zinc/93/91/03/563939103.db2.gz UGMJEBLPUGJVPY-BQYQJAHWSA-N 0 0 338.388 4.258 50 30 EIEARN COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3)n2)cc1 ZINC000058265879 563941178 /nfs/dbraw/zinc/94/11/78/563941178.db2.gz GOSIENGUJCDLEK-INIZCTEOSA-N 0 0 334.400 4.309 50 30 EIEARN COc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)cc1OCCCC#N ZINC000058344396 563943219 /nfs/dbraw/zinc/94/32/19/563943219.db2.gz SHWVNGYHBWEIJX-UXBLZVDNSA-N 0 0 346.386 4.146 50 30 EIEARN COc1ccc(-c2ccccc2NC(=O)N2CCC(C#N)CC2)cc1 ZINC000095519081 563977354 /nfs/dbraw/zinc/97/73/54/563977354.db2.gz BFHXRLNXNQPNNH-UHFFFAOYSA-N 0 0 335.407 4.130 50 30 EIEARN O=C1c2ccccc2C(=O)C1=Cc1ccccc1OCc1cccnc1 ZINC000044012999 563980146 /nfs/dbraw/zinc/98/01/46/563980146.db2.gz WSKWRBZGMSIPSS-UHFFFAOYSA-N 0 0 341.366 4.123 50 30 EIEARN Cc1sc2ncnc(SCC(=O)c3ccc(C#N)cc3)c2c1C ZINC000014137686 563983302 /nfs/dbraw/zinc/98/33/02/563983302.db2.gz HMEXYKSFNWPRBT-UHFFFAOYSA-N 0 0 339.445 4.155 50 30 EIEARN CCCO[C@H]1CCCN(C(=O)Nc2nc(C3CCC3)cs2)CC1 ZINC000328588463 563984052 /nfs/dbraw/zinc/98/40/52/563984052.db2.gz PVAHBLCBQYCDQF-AWEZNQCLSA-N 0 0 337.489 4.237 50 30 EIEARN N#Cc1c(NC(=O)COc2ccccc2Cl)sc2c1CCCC2 ZINC000000141573 563987122 /nfs/dbraw/zinc/98/71/22/563987122.db2.gz JAZXJQYVYJCDGM-UHFFFAOYSA-N 0 0 346.839 4.169 50 30 EIEARN C[C@@H](NCc1ccc(C#N)cc1Br)c1ccc(C#N)cc1 ZINC000408513865 563992793 /nfs/dbraw/zinc/99/27/93/563992793.db2.gz FENDXRQAJPSVKU-GFCCVEGCSA-N 0 0 340.224 4.043 50 30 EIEARN CN(C)/C=C/C(=O)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1 ZINC000221581491 564000852 /nfs/dbraw/zinc/00/08/52/564000852.db2.gz MGIMYJVHJOTAAF-BQYQJAHWSA-N 0 0 341.358 4.164 50 30 EIEARN N#CC1(C#N)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H]1Cc1ccccc1 ZINC000017724781 564012319 /nfs/dbraw/zinc/01/23/19/564012319.db2.gz SMLBHPLJVOMVNE-BIQFSMEISA-N 0 0 344.458 4.294 50 30 EIEARN O=C1CCCC2=C1C1(C[C@@H]3c4ccccc4CCN23)SCCS1 ZINC000000519213 564020534 /nfs/dbraw/zinc/02/05/34/564020534.db2.gz DWJVNFIPXHDTCZ-MRXNPFEDSA-N 0 0 343.517 4.173 50 30 biogenic EIEARN O=C(Cc1nc2cc(Cl)ccc2oc1=O)c1ccc(Cl)cc1 ZINC000102881480 564020897 /nfs/dbraw/zinc/02/08/97/564020897.db2.gz QEIDWOGNYLRLFJ-JYRVWZFOSA-N 0 0 334.158 4.091 50 30 EIEARN Cc1cc2ncn(/N=C/c3cc([N+](=O)[O-])ccc3Cl)c2cc1C ZINC000000530765 564021516 /nfs/dbraw/zinc/02/15/16/564021516.db2.gz ILNSYBJGYWRAGD-UFWORHAWSA-N 0 0 328.759 4.097 50 30 EIEARN COc1cccc(-c2cc(C(F)(F)F)c3c(N)c(C#N)sc3n2)c1 ZINC000000539069 564022295 /nfs/dbraw/zinc/02/22/95/564022295.db2.gz SAQADRQFUNBTJR-UHFFFAOYSA-N 0 0 349.337 4.445 50 30 EIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1cccs1 ZINC000000543246 564022510 /nfs/dbraw/zinc/02/25/10/564022510.db2.gz LRZJBEFMAVNZRD-DHDCSXOGSA-N 0 0 338.340 4.177 50 30 EIEARN N#C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccoc1 ZINC000103504343 564022566 /nfs/dbraw/zinc/02/25/66/564022566.db2.gz AKLWRYCMYVNPBL-INIZCTEOSA-N 0 0 346.342 4.033 50 30 EIEARN O=C(c1cc(Cl)sc1Cl)[C@H]1O[C@@H]1C(Cl)(Cl)Cl ZINC000000550728 564022897 /nfs/dbraw/zinc/02/28/97/564022897.db2.gz JCXDLQVDYARZGH-RITPCOANSA-N 0 0 340.442 4.375 50 30 EIEARN Oc1ccccc1/C=N\[C@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000103758399 564023116 /nfs/dbraw/zinc/02/31/16/564023116.db2.gz VCNCKAQNALJQDO-BHMTVCBESA-N 0 0 331.371 4.329 50 30 EIEARN N#Cc1ccc(C(=O)Nc2nc3c(cccc3Cl)s2)c(F)c1 ZINC000000558608 564023204 /nfs/dbraw/zinc/02/32/04/564023204.db2.gz IHSXJBGXJSHZGA-UHFFFAOYSA-N 0 0 331.759 4.213 50 30 EIEARN CC1(C)OC(C)(C)C(=CNc2cc3ccccc3cc2[N+](=O)[O-])C1=O ZINC000103990059 564023484 /nfs/dbraw/zinc/02/34/84/564023484.db2.gz WQBOFLQXYDBKJU-SDNWHVSQSA-N 0 0 340.379 4.200 50 30 EIEARN C[C@@H]1CCC[C@H](Nc2c(-c3cccs3)nc3c(C#N)c[nH]n32)[C@H]1C ZINC000106886739 564026719 /nfs/dbraw/zinc/02/67/19/564026719.db2.gz RMGQXJJBXSYZCU-DYEKYZERSA-N 0 0 339.468 4.499 50 30 EIEARN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OC(F)F)c1 ZINC000045403914 564028417 /nfs/dbraw/zinc/02/84/17/564028417.db2.gz CTYWEYHOEHXXAE-UHFFFAOYSA-N 0 0 344.361 4.212 50 30 EIEARN C=CCNC(=O)c1c(-c2ccccc2)c(C)c2n(C)c3ccccc3n12 ZINC000002708118 564032981 /nfs/dbraw/zinc/03/29/81/564032981.db2.gz JBYMGSUOAOEWNG-UHFFFAOYSA-N 0 0 343.430 4.322 50 30 EIEARN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002838146 564036082 /nfs/dbraw/zinc/03/60/82/564036082.db2.gz WRAGSIUDPBEGDI-UHFFFAOYSA-N 0 0 336.435 4.152 50 30 EIEARN COc1ccc(NC(=O)c2cc(C#N)c3c4ccccc4ccn23)cc1 ZINC000034539451 564039073 /nfs/dbraw/zinc/03/90/73/564039073.db2.gz QUOJOUMUCGFZJR-UHFFFAOYSA-N 0 0 341.370 4.225 50 30 EIEARN O=C(CN1CCC[C@@H](C(F)(F)F)C1)Nc1cccc2ncccc21 ZINC000082098432 564056243 /nfs/dbraw/zinc/05/62/43/564056243.db2.gz DIIMPUBJYLEQIY-GFCCVEGCSA-N 0 0 337.345 4.097 50 30 EIEARN CCCCn1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O ZINC000006034757 564057716 /nfs/dbraw/zinc/05/77/16/564057716.db2.gz KEWSQYMVZRHDCN-UHFFFAOYSA-N 0 0 349.459 4.361 50 30 EIEARN N#C[C@]1(c2nc3ccccc3s2)Cc2c(F)cccc2N2CCC[C@@H]21 ZINC000003281647 564059003 /nfs/dbraw/zinc/05/90/03/564059003.db2.gz XRLHFAJLQSUKJX-UYAOXDASSA-N 0 0 349.434 4.422 50 30 EIEARN O=C(C=CNc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 ZINC000044842701 564060560 /nfs/dbraw/zinc/06/05/60/564060560.db2.gz UCOQXNRQRQUXEF-VOTSOKGWSA-N 0 0 335.281 4.243 50 30 EIEARN FC(F)(F)c1cccc(N2CCC(N=CN3CCCCCC3)=N2)c1 ZINC000012728401 564063886 /nfs/dbraw/zinc/06/38/86/564063886.db2.gz UHKKLRYDLVCQJD-UHFFFAOYSA-N 0 0 338.377 4.133 50 30 EIEARN Cn1nc(C(F)(F)F)c(C#N)c1SCc1ccc(Cl)cc1 ZINC000001391289 564064493 /nfs/dbraw/zinc/06/44/93/564064493.db2.gz FHFIZXHZEAJOLK-UHFFFAOYSA-N 0 0 331.750 4.256 50 30 EIEARN Cc1oc(-c2ccsc2)nc1C[S@](=O)Cc1ccc(C#N)cc1 ZINC000084056889 564065892 /nfs/dbraw/zinc/06/58/92/564065892.db2.gz ZEWNJQLCAIKEIK-QHCPKHFHSA-N 0 0 342.445 4.032 50 30 EIEARN C=CCn1c(=S)[nH]nc1-c1cc2cc(Br)ccc2o1 ZINC000005817018 564070632 /nfs/dbraw/zinc/07/06/32/564070632.db2.gz BFHFWDMFOOBFSZ-UHFFFAOYSA-N 0 0 336.214 4.302 50 30 EIEARN COc1cc(C#N)cc(Cl)c1OCc1cc(-c2ccccc2)on1 ZINC000012816633 564073200 /nfs/dbraw/zinc/07/32/00/564073200.db2.gz WOYUTHAUXQFHCX-UHFFFAOYSA-N 0 0 340.766 4.454 50 30 EIEARN C=C(C)COc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1 ZINC000000445719 564074579 /nfs/dbraw/zinc/07/45/79/564074579.db2.gz JOGZOJNZRCMTBI-WQRHYEAKSA-N 0 0 337.350 4.125 50 30 EIEARN C=C[C@@H](C/C=C\C)OC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F ZINC000043762844 564076222 /nfs/dbraw/zinc/07/62/22/564076222.db2.gz NASJXQFMFBTFRH-ARTVWEGUSA-N 0 0 328.330 4.155 50 30 EIEARN CCCC[C@@H]1C2=C(CC(C)(C)CC2=O)OC12C(=O)CC(C)(C)CC2=O ZINC000075260888 564081251 /nfs/dbraw/zinc/08/12/51/564081251.db2.gz WNHIIKBAWDGOFI-CYBMUJFWSA-N 0 0 346.467 4.163 50 30 EIEARN Cc1ccc(-c2nc(CSc3nc(C)nc(C)c3C#N)co2)cc1 ZINC000012971613 564084800 /nfs/dbraw/zinc/08/48/00/564084800.db2.gz NYZHQVOVHIBNID-UHFFFAOYSA-N 0 0 336.420 4.221 50 30 EIEARN Clc1cccc(C=NN2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000238900568 564087948 /nfs/dbraw/zinc/08/79/48/564087948.db2.gz JPMDCIVQXOUOON-UHFFFAOYSA-N 0 0 348.277 4.145 50 30 EIEARN C/C(=N\N)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N\N)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253500279 564089507 /nfs/dbraw/zinc/08/95/07/564089507.db2.gz WVLSVRGWXOQKDI-BPZZCBAESA-N 0 0 342.531 4.215 50 30 EIEARN CCOc1ccc2ncc(C#N)c(N3CCc4ccccc4C3)c2c1 ZINC000064438770 564091277 /nfs/dbraw/zinc/09/12/77/564091277.db2.gz CESQEERCTUEPQF-UHFFFAOYSA-N 0 0 329.403 4.068 50 30 EIEARN CCOc1cc(C#N)ccc1OCC(=O)c1ccc2c(c1)CCCC2 ZINC000006540585 564091847 /nfs/dbraw/zinc/09/18/47/564091847.db2.gz KQHBURGUGMABGB-UHFFFAOYSA-N 0 0 335.403 4.097 50 30 EIEARN N#Cc1cccc(CSc2nc(C3CC3)n(-c3ccccc3)n2)c1 ZINC000006549525 564091860 /nfs/dbraw/zinc/09/18/60/564091860.db2.gz WIZMAOWOZSXYHL-UHFFFAOYSA-N 0 0 332.432 4.309 50 30 EIEARN CCn1cc(Cl)c(/C=C/C(=O)c2ccc(Br)cc2)n1 ZINC000006635951 564094727 /nfs/dbraw/zinc/09/47/27/564094727.db2.gz SGSTVCGOGOXBRJ-BQYQJAHWSA-N 0 0 339.620 4.215 50 30 EIEARN Cc1cc(SCC(=O)Nc2cccc(C#N)c2)nc2ccccc12 ZINC000006788609 564097844 /nfs/dbraw/zinc/09/78/44/564097844.db2.gz UPQYFSSLMXTKFJ-UHFFFAOYSA-N 0 0 333.416 4.146 50 30 EIEARN C=CCNc1nc(C(=O)OCc2cccc(C(F)(F)F)c2)cs1 ZINC000007006667 564103068 /nfs/dbraw/zinc/10/30/68/564103068.db2.gz OSCPAAPTBOQGBA-UHFFFAOYSA-N 0 0 342.342 4.117 50 30 EIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3C[C@H]3c3ccccc3)sc2C1 ZINC000239310432 564106543 /nfs/dbraw/zinc/10/65/43/564106543.db2.gz IKJPBFXZEUMVCN-UHOFOFEASA-N 0 0 336.460 4.487 50 30 EIEARN Cc1ccc(C(C)(C)C)cc1SCC(=O)N[C@](C)(C#N)C(C)C ZINC000007492507 564109143 /nfs/dbraw/zinc/10/91/43/564109143.db2.gz KNCZGFXUKPLFLN-LJQANCHMSA-N 0 0 332.513 4.439 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccccc1F ZINC000170615203 564109996 /nfs/dbraw/zinc/10/99/96/564109996.db2.gz QRHFCBVTXGJERR-YJBOKZPZSA-N 0 0 344.407 4.207 50 30 EIEARN C=CCOc1ccc(C(F)(F)F)cc1C(=O)[C@H](C#N)c1ccccn1 ZINC000076018969 564114505 /nfs/dbraw/zinc/11/45/05/564114505.db2.gz RZDTZODMRKRVPC-CQSZACIVSA-N 0 0 346.308 4.155 50 30 EIEARN C[C@H](CC#N)N(C)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000089894459 564114911 /nfs/dbraw/zinc/11/49/11/564114911.db2.gz LVSQBCRQNCRUFK-CQSZACIVSA-N 0 0 348.406 4.184 50 30 EIEARN O=c1oc2ccccc2cc1-c1csc(N=NCc2ccccc2)n1 ZINC000252444423 564118460 /nfs/dbraw/zinc/11/84/60/564118460.db2.gz WSBXKPBLDXNCPA-UHFFFAOYSA-N 0 0 347.399 4.363 50 30 EIEARN COc1cc(N=Cc2cccs2)ccc1NC(=O)c1ccco1 ZINC000252460659 564118637 /nfs/dbraw/zinc/11/86/37/564118637.db2.gz HFJWEKSOWJACQJ-UHFFFAOYSA-N 0 0 326.377 4.353 50 30 EIEARN COc1cc(OC)c(C=Nc2cccc(C#N)c2)cc1Br ZINC000252461060 564118723 /nfs/dbraw/zinc/11/87/23/564118723.db2.gz KGJNOLBPSQCWNB-UHFFFAOYSA-N 0 0 345.196 4.089 50 30 EIEARN Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCC#N ZINC000252484609 564119247 /nfs/dbraw/zinc/11/92/47/564119247.db2.gz GALSQARMTMPRJK-VIFPVBQESA-N 0 0 336.258 4.055 50 30 EIEARN C[C@@H]1CCc2c(C#N)c(N=Cc3cc([N+](=O)[O-])cs3)sc2C1 ZINC000252600728 564121160 /nfs/dbraw/zinc/12/11/60/564121160.db2.gz DTLUXXAFUHHKCY-SECBINFHSA-N 0 0 331.422 4.465 50 30 EIEARN Oc1ccc(Cl)cc1C=Nc1cc(Br)ccc1O ZINC000252603940 564121226 /nfs/dbraw/zinc/12/12/26/564121226.db2.gz FVBSNXICXWGVBV-UHFFFAOYSA-N 0 0 326.577 4.264 50 30 EIEARN COc1ccc(N=C2S/C(=C/c3ccc(C)s3)C(=O)N2C)cc1 ZINC000252627732 564123374 /nfs/dbraw/zinc/12/33/74/564123374.db2.gz SALPUDMJPCOCQX-ZIDZLSMNSA-N 0 0 344.461 4.299 50 30 EIEARN Nc1nc(-c2ccccc2)cn1N=Cc1ccccc1C(F)(F)F ZINC000253389175 564130388 /nfs/dbraw/zinc/13/03/88/564130388.db2.gz NCKDTMNOFPDQRK-UHFFFAOYSA-N 0 0 330.313 4.033 50 30 EIEARN CCn1c2ccccc2nc1SCCCC1(C#N)CCOCC1 ZINC000253423927 564131058 /nfs/dbraw/zinc/13/10/58/564131058.db2.gz PGVQILZHPOYIME-UHFFFAOYSA-N 0 0 329.469 4.249 50 30 EIEARN CCOC(=O)c1cc(C#N)c(Nc2ccc(C)cc2)nc1C(F)(F)F ZINC000000126933 564132881 /nfs/dbraw/zinc/13/28/81/564132881.db2.gz GTTBNNUINPSECM-UHFFFAOYSA-N 0 0 349.312 4.201 50 30 EIEARN N#Cc1ccccc1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000000309334 564133101 /nfs/dbraw/zinc/13/31/01/564133101.db2.gz IFJLDGVORUYGFN-UHFFFAOYSA-N 0 0 328.371 4.390 50 30 EIEARN O=C1c2ccc([O-])c(C[NH+]3CCCCC3)c2O/C1=C\c1cccs1 ZINC000002433138 564135127 /nfs/dbraw/zinc/13/51/27/564135127.db2.gz QHBNVFBYHQJLJP-BOPFTXTBSA-N 0 0 341.432 4.056 50 30 EIEARN C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012660412 564135437 /nfs/dbraw/zinc/13/54/37/564135437.db2.gz POZRVZJJTULAOH-DHNHVGITSA-N 0 0 337.463 4.221 50 30 biogenic EIEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000012976217 564135772 /nfs/dbraw/zinc/13/57/72/564135772.db2.gz HOPGYDDTRWOLBI-CYBMUJFWSA-N 0 0 349.415 4.088 50 30 EIEARN CCc1noc(C)c1C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000013327694 564136201 /nfs/dbraw/zinc/13/62/01/564136201.db2.gz GFKWFMZYRRCOHK-UHFFFAOYSA-N 0 0 343.452 4.390 50 30 EIEARN CCc1ccc([C@@H]2CCCN2C(=O)Nc2cnc(C)nc2C2CC2)o1 ZINC000328588987 564136683 /nfs/dbraw/zinc/13/66/83/564136683.db2.gz ZPONRVROZKGKNI-INIZCTEOSA-N 0 0 340.427 4.200 50 30 EIEARN O=C(C[C@H](c1ncc[nH]1)c1ccccc1)Nc1nc2ccccc2[nH]1 ZINC000328592650 564136771 /nfs/dbraw/zinc/13/67/71/564136771.db2.gz SBVZRPFLVBEIPJ-AWEZNQCLSA-N 0 0 331.379 4.096 50 30 EIEARN COc1ccc(Cl)cc1CN(C)C(=O)[C@H](CC#N)c1ccccc1 ZINC000095465975 564140987 /nfs/dbraw/zinc/14/09/87/564140987.db2.gz YFJHPMBRVNPMOA-QGZVFWFLSA-N 0 0 342.826 4.004 50 30 EIEARN COc1ccc(Cl)cc1CN(C)C(=O)[C@@H](CC#N)c1ccccc1 ZINC000095465974 564140991 /nfs/dbraw/zinc/14/09/91/564140991.db2.gz YFJHPMBRVNPMOA-KRWDZBQOSA-N 0 0 342.826 4.004 50 30 EIEARN CN(C(=O)CNc1ccc2c3c(cccc31)CC2)C1(C#N)CCCCC1 ZINC000095946699 564142275 /nfs/dbraw/zinc/14/22/75/564142275.db2.gz DPVJVVUKWBKJOW-UHFFFAOYSA-N 0 0 347.462 4.035 50 30 EIEARN CSc1ncccc1C(=O)Nc1ccccc1SCCC#N ZINC000095953531 564142404 /nfs/dbraw/zinc/14/24/04/564142404.db2.gz YBHDXZYJUQSVET-UHFFFAOYSA-N 0 0 329.450 4.062 50 30 EIEARN N#CCCSc1ccccc1NC(=O)COc1ccc(Cl)cc1 ZINC000095953528 564142405 /nfs/dbraw/zinc/14/24/05/564142405.db2.gz TXBVPDUMOPGXKV-UHFFFAOYSA-N 0 0 346.839 4.363 50 30 EIEARN CCSc1cccc(NC(=O)N(CCC#N)Cc2cccnc2)c1 ZINC000095965763 564142919 /nfs/dbraw/zinc/14/29/19/564142919.db2.gz UPSKSJVWJJLXCX-UHFFFAOYSA-N 0 0 340.452 4.141 50 30 EIEARN CCOc1cc(/C=C/C(=O)/C=C\c2cccc(OC)c2)ccc1OC ZINC000096124591 564145703 /nfs/dbraw/zinc/14/57/03/564145703.db2.gz GWAXTOCWSMPUNW-QABOREQESA-N 0 0 338.403 4.398 50 30 EIEARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C\C(=O)c1ccc(O)cc1 ZINC000096298650 564146654 /nfs/dbraw/zinc/14/66/54/564146654.db2.gz PGGJLHYMYXYDOG-SEYXRHQNSA-N 0 0 346.430 4.458 50 30 EIEARN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C#N)c1ccccn1 ZINC000096416157 564147774 /nfs/dbraw/zinc/14/77/74/564147774.db2.gz JWXXCVRKQDLWSN-IUODEOHRSA-N 0 0 332.325 4.155 50 30 EIEARN N#CCCN(C(=O)Nc1cc(F)ccc1SCC(F)F)C1CC1 ZINC000096435080 564148040 /nfs/dbraw/zinc/14/80/40/564148040.db2.gz NIUBIMLPXPOEDI-UHFFFAOYSA-N 0 0 343.374 4.093 50 30 EIEARN N#Cc1ccc(Oc2cccc(NCc3cn4ccccc4n3)c2)nc1 ZINC000096460588 564148332 /nfs/dbraw/zinc/14/83/32/564148332.db2.gz VTNWQNTZSVWTOD-UHFFFAOYSA-N 0 0 341.374 4.005 50 30 EIEARN CCc1c(C)sc(NC(=O)Cc2c(F)cccc2Cl)c1C#N ZINC000002807431 564152751 /nfs/dbraw/zinc/15/27/51/564152751.db2.gz IHUQVIWZXIJDAP-UHFFFAOYSA-N 0 0 336.819 4.464 50 30 EIEARN CCc1c(C)sc(NC(=O)c2cc(-c3ccccc3)on2)c1C#N ZINC000002863636 564152834 /nfs/dbraw/zinc/15/28/34/564152834.db2.gz VYZBZSMLLKTOTH-UHFFFAOYSA-N 0 0 337.404 4.398 50 30 EIEARN COc1ccc(-c2nc(-c3ccccc3)nc(OC(C)C)c2C#N)cc1 ZINC000003041128 564154624 /nfs/dbraw/zinc/15/46/24/564154624.db2.gz OADFLHSATJSKNZ-UHFFFAOYSA-N 0 0 345.402 4.478 50 30 EIEARN Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cc(C#N)cc(F)c1C ZINC000058197550 564158045 /nfs/dbraw/zinc/15/80/45/564158045.db2.gz DBOKVZAPZAZQFK-UHFFFAOYSA-N 0 0 329.379 4.044 50 30 EIEARN N#Cc1cc([N+](=O)[O-])ccc1NCCc1ccc(C(F)(F)F)cc1 ZINC000008051098 564162376 /nfs/dbraw/zinc/16/23/76/564162376.db2.gz MKSAAKRTJBRLJB-UHFFFAOYSA-N 0 0 335.285 4.140 50 30 EIEARN C=CCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2)cc1OC ZINC000008181675 564163354 /nfs/dbraw/zinc/16/33/54/564163354.db2.gz IWQLIRACBOKQBJ-SICOMBFOSA-N 0 0 337.419 4.151 50 30 EIEARN C=CCN(CC=C)Cc1c(C)[nH]c2ccc(OCCC)cc2c1=O ZINC000008717132 564166732 /nfs/dbraw/zinc/16/67/32/564166732.db2.gz STWPICLBCXTHQT-UHFFFAOYSA-N 0 0 326.440 4.212 50 30 EIEARN C=CCCO[C@@H](C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC000067799060 564166914 /nfs/dbraw/zinc/16/69/14/564166914.db2.gz GWBOSTLLYGECIN-JQWIXIFHSA-N 0 0 334.828 4.107 50 30 EIEARN N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000070032721 564173429 /nfs/dbraw/zinc/17/34/29/564173429.db2.gz MZANEIGGLAHDEH-UPJWGTAASA-N 0 0 331.202 4.368 50 30 EIEARN CCOc1c(Cl)cc(/C=C2\Oc3cc(O)ccc3C2=O)cc1OC ZINC000013015495 1019862710 /nfs/dbraw/zinc/86/27/10/1019862710.db2.gz QCASMTOLMAIMGH-CHHVJCJISA-N 0 0 346.766 4.069 50 30 EIEARN O=C(C=CNc1ccc2n[nH]cc2c1)c1ccc(Br)cc1 ZINC000022170646 1021212591 /nfs/dbraw/zinc/21/25/91/1021212591.db2.gz YOMATSSRPXANKO-FPLPWBNLSA-N 0 0 342.196 4.134 50 30 EIEARN Cc1ccc(/C=C\C(=O)c2ccc(F)cc2N(C)C)cc1[N+](=O)[O-] ZINC000098056582 1023229062 /nfs/dbraw/zinc/22/90/62/1023229062.db2.gz UEOMULJWJOUHNK-TWGQIWQCSA-N 0 0 328.343 4.004 50 30 EIEARN CCc1ccc2nc(NC(=O)c3ccc(C=NOC)cc3)sc2c1 ZINC000254626289 1035837056 /nfs/dbraw/zinc/83/70/56/1035837056.db2.gz CKQFLHGNMIGFEE-UHFFFAOYSA-N 0 0 339.420 4.091 50 30 EIEARN C[C@H]1CCCC[C@H]1NC(=O)CON=Cc1ccc(C(C)(C)C)cc1 ZINC000254835622 1036073409 /nfs/dbraw/zinc/07/34/09/1036073409.db2.gz HRVJGJUJKHUWAX-MAUKXSAKSA-N 0 0 330.472 4.030 50 30 EIEARN Cc1nc(C)c(C(=O)N2CCSC2=Nc2cccc(Cl)c2C)o1 ZINC000254291271 1037324808 /nfs/dbraw/zinc/32/48/08/1037324808.db2.gz XCMYXLDOLYXMDY-UHFFFAOYSA-N 0 0 349.843 4.130 50 30 EIEARN CCCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC ZINC000005129212 1037480330 /nfs/dbraw/zinc/48/03/30/1037480330.db2.gz FPUVGXNQKPIECH-QPJJXVBHSA-N 0 0 340.375 4.109 50 30 EIEARN O=C(/C=C\c1ccc2ccccc2c1)c1ccc2c(c1)NC(=O)CO2 ZINC000096021662 1040301668 /nfs/dbraw/zinc/30/16/68/1040301668.db2.gz XHMZUAZMBRYRNM-TWGQIWQCSA-N 0 0 329.355 4.067 50 30 EIEARN COc1cc(/C=C\C(=O)c2ccc(Br)cc2)cc(OC)c1 ZINC000096766172 1041614154 /nfs/dbraw/zinc/61/41/54/1041614154.db2.gz BDJPOWUZPSYVNU-BAQGIRSFSA-N 0 0 347.208 4.362 50 30 EIEARN CCCOc1cc(/C=C\C(=O)c2coc(C(C)C)n2)ccc1OC ZINC000606442590 1043067359 /nfs/dbraw/zinc/06/73/59/1043067359.db2.gz JEXRYRVYJZTULD-VURMDHGXSA-N 0 0 329.396 4.492 50 30 EIEARN Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)c2ccccc2C#N)c1 ZINC000826792120 1044804986 /nfs/dbraw/zinc/80/49/86/1044804986.db2.gz BMTZQPIMKTUVCK-UHFFFAOYSA-N 0 0 347.418 4.248 50 30 EIEARN O=C(/C=C\c1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000033676264 1047742241 /nfs/dbraw/zinc/74/22/41/1047742241.db2.gz BMXAHUJDURXUOE-XFSBKJJWSA-N 0 0 345.192 4.116 50 30 EIEARN Clc1ccc(CN2CCN(N=Cc3ccccc3Cl)CC2)cc1 ZINC000002238331 1049481350 /nfs/dbraw/zinc/48/13/50/1049481350.db2.gz RLBNMZRGIPWWGZ-UHFFFAOYSA-N 0 0 348.277 4.145 50 30 EIEARN C#CCCCC(=O)N1CCC[C@]1(c1c[nH]c2ccccc21)C(F)(F)F ZINC000585114436 1049548603 /nfs/dbraw/zinc/54/86/03/1049548603.db2.gz QYOVXHPLYJHKLF-SFHVURJKSA-N 0 0 348.368 4.351 50 30 EIEARN N#Cc1ccc(NCCOC(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000952876358 1049679165 /nfs/dbraw/zinc/67/91/65/1049679165.db2.gz OAPUSELAWVMSCY-UHFFFAOYSA-N 0 0 349.217 4.063 50 30 EIEARN C#CCCC1(CCC(=O)N2CCc3ccc(Cl)cc3[C@H](C)C2)N=N1 ZINC000952880877 1049680405 /nfs/dbraw/zinc/68/04/05/1049680405.db2.gz MKLPVYQGKFYEQZ-CQSZACIVSA-N 0 0 343.858 4.184 50 30 EIEARN C#CCCC1(CCC(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)N=N1 ZINC000952882302 1049682231 /nfs/dbraw/zinc/68/22/31/1049682231.db2.gz UHULOVADWXZUGF-KRWDZBQOSA-N 0 0 325.412 4.079 50 30 EIEARN CC(=NN=c1[nH]c2ccccc2s1)c1ccc(-n2ccnc2)cc1 ZINC000263629410 1050226475 /nfs/dbraw/zinc/22/64/75/1050226475.db2.gz CDEATABPHSYTSN-UHFFFAOYSA-N 0 0 333.420 4.318 50 30 EIEARN C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000050099987 214045994 /nfs/dbraw/zinc/04/59/94/214045994.db2.gz PVBRXBJSIFSUIZ-ZIAGYGMSSA-N 0 0 329.469 4.376 50 30 EIEARN CN(C)/C=C/c1snc(SCc2ccc(Cl)cc2)c1C#N ZINC000052525245 214132366 /nfs/dbraw/zinc/13/23/66/214132366.db2.gz UJGLTOFNMKWOCK-BQYQJAHWSA-N 0 0 335.885 4.493 50 30 EIEARN COc1cc(C(=O)/C=C/c2ccc(Cl)cc2)cc(OC)c1OC ZINC000004725013 210261519 /nfs/dbraw/zinc/26/15/19/210261519.db2.gz QVVHIXSRYJFOLF-RMKNXTFCSA-N 0 0 332.783 4.262 50 30 EIEARN N#Cc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000004681582 210246914 /nfs/dbraw/zinc/24/69/14/210246914.db2.gz BADWNLCPNUUYRM-DHDCSXOGSA-N 0 0 340.791 4.453 50 30 EIEARN C=CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CCCC1 ZINC000055801457 214341864 /nfs/dbraw/zinc/34/18/64/214341864.db2.gz DVWGOAMWUPQSSY-UHFFFAOYSA-N 0 0 330.409 4.380 50 30 EIEARN COc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1C ZINC000004682239 210245805 /nfs/dbraw/zinc/24/58/05/210245805.db2.gz DURCYCLXDMOBKZ-LENJVWSZSA-N 0 0 332.469 4.093 50 30 EIEARN O=C1c2cc(Br)ccc2OC/C1=C\c1ccc(F)cc1 ZINC000058167391 214491440 /nfs/dbraw/zinc/49/14/40/214491440.db2.gz XQRDUZUXFVBFDB-YRNVUSSQSA-N 0 0 333.156 4.247 50 30 EIEARN c1[nH]c2ccccc2c1CN=Nc1ncnc2sc3c(c21)CCCC3 ZINC000058174115 214493662 /nfs/dbraw/zinc/49/36/62/214493662.db2.gz AKDKHZVFMAWBFX-RMORIDSASA-N 0 0 347.447 4.497 50 30 EIEARN CCCCCCCCN1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000097993336 219066475 /nfs/dbraw/zinc/06/64/75/219066475.db2.gz WZRHYTLVPHCBGA-UHFFFAOYSA-N 0 0 343.496 4.169 50 30 EIEARN O=C(/C=C\C1=Cc2cc(Cl)ccc2OC1)c1ccc([N+](=O)[O-])cc1 ZINC000098009177 219068373 /nfs/dbraw/zinc/06/83/73/219068373.db2.gz KIBMJYHIUWZWTK-XFSBKJJWSA-N 0 0 341.750 4.463 50 30 EIEARN CCCC(=NOCC)C1C(=O)CC([C@H]2CCCSC2)CC1=O ZINC000100074472 219090975 /nfs/dbraw/zinc/09/09/75/219090975.db2.gz GGWHBJGBERXSLL-SIXPRSDSSA-N 0 0 325.474 4.113 50 30 in-vitro EIEARN CCOc1ccc2c(c1)C(=O)C(=CNCCc1ccccc1)S2 ZINC000100233025 219094983 /nfs/dbraw/zinc/09/49/83/219094983.db2.gz GGPDWWLWMPSHHP-AQTBWJFISA-N 0 0 325.433 4.047 50 30 EIEARN O=C(Nc1ccccc1)c1ccccc1/N=C/c1ccc([N+](=O)[O-])o1 ZINC000100288951 219095929 /nfs/dbraw/zinc/09/59/29/219095929.db2.gz FOVKFBUFQCHGSE-XDHOZWIPSA-N 0 0 335.319 4.191 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccc(Cl)cc1Cl ZINC000004488853 210202252 /nfs/dbraw/zinc/20/22/52/210202252.db2.gz JRAJWMOWQWVKKH-NSHDSACASA-N 0 0 338.234 4.240 50 30 EIEARN CC1(C)CC(=O)C(=CNCC(c2ccccc2)c2ccccc2)C(=O)C1 ZINC000100443718 219099161 /nfs/dbraw/zinc/09/91/61/219099161.db2.gz FSNGEANUHYLEAC-UHFFFAOYSA-N 0 0 347.458 4.250 50 30 EIEARN COc1ccc([C@@H]2CC(=O)C=C(NCc3ccc(Cl)cc3)C2)cc1 ZINC000100606899 219102671 /nfs/dbraw/zinc/10/26/71/219102671.db2.gz GHUQUZGNRDXUAT-INIZCTEOSA-N 0 0 341.838 4.469 50 30 EIEARN O=C1c2ccccc2C2=NC(=O)S[C@@H](c3ccc(Cl)cc3)C12 ZINC000100633868 219103698 /nfs/dbraw/zinc/10/36/98/219103698.db2.gz ACNCZDLQNSUHCI-INIZCTEOSA-N 0 0 327.792 4.445 50 30 EIEARN CCOC(=O)c1c(/N=C/c2cc(C)ccc2O)sc2c1CCC2 ZINC000100720089 219104783 /nfs/dbraw/zinc/10/47/83/219104783.db2.gz OVSOJKOFUCGLGX-VXLYETTFSA-N 0 0 329.421 4.178 50 30 EIEARN C=CCON=C(C)C1C(=O)CC(C)(C)[C@@H](c2cccc(C)c2)C1=O ZINC000100935994 219111708 /nfs/dbraw/zinc/11/17/08/219111708.db2.gz XXUZWFBTZDZSSH-SXZORUHJSA-N 0 0 327.424 4.468 50 30 EIEARN COc1ccc(C(=O)/C=C/c2cccc(Br)c2)c(OC)c1 ZINC000004363525 210180463 /nfs/dbraw/zinc/18/04/63/210180463.db2.gz NNKGCASISVFTMA-RMKNXTFCSA-N 0 0 347.208 4.362 50 30 EIEARN C=CCN1CCN(C(=O)Nc2cc(Cl)ccc2C)c2cccnc21 ZINC000064929532 214814929 /nfs/dbraw/zinc/81/49/29/214814929.db2.gz RXAQFMXAVILJAC-UHFFFAOYSA-N 0 0 342.830 4.088 50 30 EIEARN Cc1cccc([C@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)c1 ZINC000004348430 210177882 /nfs/dbraw/zinc/17/78/82/210177882.db2.gz QOPZQWAVRPVEJS-LJQANCHMSA-N 0 0 341.410 4.297 50 30 EIEARN COc1ccc(-c2csc(C(C#N)=NNc3ccc(C)cc3)n2)cc1 ZINC000004292772 210161877 /nfs/dbraw/zinc/16/18/77/210161877.db2.gz OQHLEPYPGGEOBD-QJOMJCCJSA-N 0 0 348.431 4.467 50 30 EIEARN O=C(/C(=C/c1ccccc1)n1cncn1)c1ccc(Cl)cc1Cl ZINC000004258305 210153911 /nfs/dbraw/zinc/15/39/11/210153911.db2.gz ASQNXHPXQLGCKW-PXNMLYILSA-N 0 0 344.201 4.466 50 30 EIEARN C/C(=N/N=C1\SCC(=O)N1c1ccccc1)c1ccc(Cl)cc1 ZINC000004187932 210141570 /nfs/dbraw/zinc/14/15/70/210141570.db2.gz MPXIZHSWSKYGHC-JLFVMOFQSA-N 0 0 343.839 4.200 50 30 EIEARN Cc1ccc(CN=Nc2ncnc3sc4c(c32)CCCC4)c(O)c1 ZINC000004155028 210134168 /nfs/dbraw/zinc/13/41/68/210134168.db2.gz KRKQKNLRJYSPGK-ZVBGSRNCSA-N 0 0 338.436 4.030 50 30 EIEARN CN1c2ccccc2/C(=N/N(Cc2ccccc2)c2ccccc2)C1=O ZINC000004154738 210133961 /nfs/dbraw/zinc/13/39/61/210133961.db2.gz IRASPVCOWBUKRA-LNVKXUELSA-N 0 0 341.414 4.074 50 30 EIEARN CC(=O)[C@@]12O[C@]1(C)C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000004082034 210114583 /nfs/dbraw/zinc/11/45/83/210114583.db2.gz DVBAEBPCDUVZPB-BHMKJSQQSA-N 0 0 342.479 4.245 50 30 biogenic EIEARN C=C1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000004025776 210103244 /nfs/dbraw/zinc/10/32/44/210103244.db2.gz JKPFAFOFFYRBDB-NWUMPJBXSA-N 0 0 342.479 4.005 50 30 biogenic EIEARN CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C=[NH+]CC(C)C ZINC000101961144 219176781 /nfs/dbraw/zinc/17/67/81/219176781.db2.gz KHYYSODBEADYEH-YBFXNURJSA-N 0 0 342.468 4.215 50 30 EIEARN Cc1[nH]c(=O)c(C(=O)/C=C/c2ccc(Cl)cc2)c2c1CCCC2 ZINC000003998113 210097529 /nfs/dbraw/zinc/09/75/29/210097529.db2.gz DFSAOIFLVNFDSR-DHZHZOJOSA-N 0 0 327.811 4.112 50 30 EIEARN COC(=O)c1scc(C)c1N=NC(C)c1ccc(Cl)s1 ZINC000003909125 210091068 /nfs/dbraw/zinc/09/10/68/210091068.db2.gz OGMOLIFLKLVNSZ-OVCLIPMQSA-N 0 0 328.846 4.394 50 30 EIEARN CC(C)n1c(SCc2ccc(C#N)cc2)nc2ccccc2c1=O ZINC000003569307 210057668 /nfs/dbraw/zinc/05/76/68/210057668.db2.gz SAPYOHVXWXWUIR-UHFFFAOYSA-N 0 0 335.432 4.141 50 30 EIEARN CC(C)c1ccccc1-n1c(SCC#N)nnc1-c1cccnc1 ZINC000003357738 210016177 /nfs/dbraw/zinc/01/61/77/210016177.db2.gz NALIFPAFHKWSCV-UHFFFAOYSA-N 0 0 335.436 4.068 50 30 EIEARN CSc1ccc([C@@H]2C3C(=O)CCCC3=Nc3c(C#N)cnn32)cc1 ZINC000102838777 219234918 /nfs/dbraw/zinc/23/49/18/219234918.db2.gz IOAYHJWABZCPLY-QGZVFWFLSA-N 0 0 336.420 4.148 50 30 EIEARN Cc1cc(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c(C)n1C ZINC000003328699 210009854 /nfs/dbraw/zinc/00/98/54/210009854.db2.gz UXXNNLHLBPYDRD-UHFFFAOYSA-N 0 0 344.414 4.442 50 30 EIEARN COc1cc(C#N)cc(Br)c1OCc1ccccc1C ZINC000002875346 209933458 /nfs/dbraw/zinc/93/34/58/209933458.db2.gz WTJDSZSGLUGYLG-UHFFFAOYSA-N 0 0 332.197 4.217 50 30 EIEARN CCCOc1ccc(-c2nc(C#N)c(N3CCCCCC3)o2)cc1 ZINC000002865646 209930578 /nfs/dbraw/zinc/93/05/78/209930578.db2.gz MOCGBPPQTOCZQA-UHFFFAOYSA-N 0 0 325.412 4.382 50 30 EIEARN N#CC1(NC(=O)CNc2cc(Cl)ccc2Cl)CCCCCC1 ZINC000040050350 213255156 /nfs/dbraw/zinc/25/51/56/213255156.db2.gz LAMPVZOXVRSXES-UHFFFAOYSA-N 0 0 340.254 4.138 50 30 EIEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(C)cn1 ZINC000001101115 209711922 /nfs/dbraw/zinc/71/19/22/209711922.db2.gz NZRJKEYHIWKLJZ-UHFFFAOYSA-N 0 0 342.398 4.260 50 30 EIEARN CCCN1C(=O)S/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)C1=O ZINC000000981517 209698064 /nfs/dbraw/zinc/69/80/64/209698064.db2.gz HMTCNKAGGYIIAT-YBEGLDIGSA-N 0 0 338.388 4.265 50 30 EIEARN CC[C@@H](C)Oc1c(C=C2C(=O)c3ccccc3C2=O)cccc1OC ZINC000000858719 209692706 /nfs/dbraw/zinc/69/27/06/209692706.db2.gz OCOWTCJLPXMSCT-CYBMUJFWSA-N 0 0 336.387 4.335 50 30 EIEARN N#CCCN(Cc1cccnc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000037868738 213171734 /nfs/dbraw/zinc/17/17/34/213171734.db2.gz LRJOBDRVDRKYPD-UHFFFAOYSA-N 0 0 349.221 4.336 50 30 EIEARN Cc1ncsc1C(=O)N(CCC#N)c1cccc(C(F)(F)F)c1 ZINC000069816043 215594133 /nfs/dbraw/zinc/59/41/33/215594133.db2.gz NITFXPXWKDZNIC-UHFFFAOYSA-N 0 0 339.342 4.031 50 30 EIEARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1ccc(C#N)cc1 ZINC000072277190 216103136 /nfs/dbraw/zinc/10/31/36/216103136.db2.gz CQHLIKHSVVFTQR-RTWAWAEBSA-N 0 0 348.446 4.122 50 30 EIEARN CCOC(=O)[C@H](C#N)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000000394866 209567677 /nfs/dbraw/zinc/56/76/77/209567677.db2.gz CHZJQUIIMIBQFQ-AWEZNQCLSA-N 0 0 331.456 4.233 50 30 EIEARN FC(F)(F)c1ccc(C#CCN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000072312050 216147835 /nfs/dbraw/zinc/14/78/35/216147835.db2.gz PQFZMHHQPNKGEN-IBGZPJMESA-N 0 0 345.364 4.130 50 30 EIEARN C[C@H](Nc1ccc(C(C)(C)C)cc1)C(=O)Nc1sccc1C#N ZINC000028874140 212641658 /nfs/dbraw/zinc/64/16/58/212641658.db2.gz FOGMRPRDULCWOV-LBPRGKRZSA-N 0 0 327.453 4.356 50 30 EIEARN Cc1c(C#N)c(SCC(=O)c2ccc(F)cc2)nc2c1CCCC2 ZINC000000093290 209416496 /nfs/dbraw/zinc/41/64/96/209416496.db2.gz FXEUOOJJEYVXEH-UHFFFAOYSA-N 0 0 340.423 4.255 50 30 EIEARN C=CCc1cccc2cc(C(=O)Nc3ccccc3Cl)c(=O)oc21 ZINC000000061867 209395232 /nfs/dbraw/zinc/39/52/32/209395232.db2.gz KHNVEYOBSQJBLH-UHFFFAOYSA-N 0 0 339.778 4.427 50 30 EIEARN CCc1ccccc1NC(=O)CCn1ccnc1-c1cccc(C#N)c1 ZINC000072429698 216222706 /nfs/dbraw/zinc/22/27/06/216222706.db2.gz HPAALDUCWSYUSF-UHFFFAOYSA-N 0 0 344.418 4.013 50 30 EIEARN COc1cc(C#N)cc(Cl)c1OCCOc1cccc(Cl)c1 ZINC000023336908 212369204 /nfs/dbraw/zinc/36/92/04/212369204.db2.gz HGZBOJUEAZVEIV-UHFFFAOYSA-N 0 0 338.190 4.331 50 30 EIEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccccc1C(F)(F)F)CO2 ZINC000022958079 212339436 /nfs/dbraw/zinc/33/94/36/212339436.db2.gz XNDQGGRXKNERPJ-XYOKQWHBSA-N 0 0 334.293 4.373 50 30 EIEARN CC(C)=C1Oc2c(ccc3c2[C@@H](c2ccsc2)CC(=O)O3)C1=O ZINC000218269032 241311651 /nfs/dbraw/zinc/31/16/51/241311651.db2.gz WYJKRUUEKRINFL-GFCCVEGCSA-N 0 0 326.373 4.058 50 30 EIEARN Cc1ccccc1[C@@H]1CCN(C(=O)c2cccc(C#N)c2)CCS1 ZINC000219285990 241374402 /nfs/dbraw/zinc/37/44/02/241374402.db2.gz NINOXQORRYKHGJ-IBGZPJMESA-N 0 0 336.460 4.187 50 30 EIEARN C=CCNc1ccc(-c2nc(-c3ccccc3C)no2)cc1[N+](=O)[O-] ZINC000020897632 212183105 /nfs/dbraw/zinc/18/31/05/212183105.db2.gz KXSIPBACTNRJMO-UHFFFAOYSA-N 0 0 336.351 4.218 50 30 EIEARN N#Cc1c(NC(=O)CCc2ccc(F)cc2)sc2c1CCCC2 ZINC000020607953 212154117 /nfs/dbraw/zinc/15/41/17/212154117.db2.gz XCAFLVGNCQKVTI-UHFFFAOYSA-N 0 0 328.412 4.209 50 30 EIEARN Cc1c2sc3c(c2nc(N)c1C#N)[C@H](c1cccs1)CC(=O)N3 ZINC000020150269 212106763 /nfs/dbraw/zinc/10/67/63/212106763.db2.gz NZLASQUGMHCDSW-QMMMGPOBSA-N 0 0 340.433 4.244 50 30 EIEARN C=CCN1C(=O)S/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O ZINC000017167602 211957628 /nfs/dbraw/zinc/95/76/28/211957628.db2.gz AHIXMDIYPQNTQL-RVDMUPIBSA-N 0 0 344.823 4.353 50 30 EIEARN CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] ZINC000014880434 211770190 /nfs/dbraw/zinc/77/01/90/211770190.db2.gz IZWSFJTYBVKZNK-UHFFFAOYSA-O 0 0 336.562 4.262 50 30 in-vivo EIEARN N#Cc1c(COC(=O)c2cccc(C(F)(F)F)c2)cn2ccccc12 ZINC000014857952 211768289 /nfs/dbraw/zinc/76/82/89/211768289.db2.gz BZRJDKORNYYBAR-UHFFFAOYSA-N 0 0 344.292 4.187 50 30 EIEARN O=C1CS/C(=N\c2cccc(F)c2)N1Cc1ccccc1Cl ZINC000013468491 211563026 /nfs/dbraw/zinc/56/30/26/211563026.db2.gz OBGDKHYNJPKIMO-MNDPQUGUSA-N 0 0 334.803 4.242 50 30 EIEARN O=C(/C=C(\c1ccc(Cl)cc1)n1cncn1)c1ccc(Cl)cc1 ZINC000012428917 211377885 /nfs/dbraw/zinc/37/78/85/211377885.db2.gz YXIJMZYSBKFBRG-CXUHLZMHSA-N 0 0 344.201 4.357 50 30 EIEARN CSc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 ZINC000012039305 211283253 /nfs/dbraw/zinc/28/32/53/211283253.db2.gz CFVKYWHAWUZGRS-UHFFFAOYSA-N 0 0 337.404 4.225 50 30 EIEARN Cc1ccccc1C(=O)/C=C/c1cccc(NC(=O)C(F)(F)F)c1 ZINC000011298647 211211947 /nfs/dbraw/zinc/21/19/47/211211947.db2.gz FIOHKWMIBMLGOS-MDZDMXLPSA-N 0 0 333.309 4.392 50 30 EIEARN COc1ccc([C@H]2CCCN2Cc2cc(C#N)ccc2F)c(OC)c1 ZINC000011439901 211217401 /nfs/dbraw/zinc/21/74/01/211217401.db2.gz CHNXBSWYRIXNKI-LJQANCHMSA-N 0 0 340.398 4.052 50 30 EIEARN CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cccc(C#N)c1 ZINC000010391940 211169856 /nfs/dbraw/zinc/16/98/56/211169856.db2.gz UODNBCPWSRTTMI-UHFFFAOYSA-N 0 0 329.783 4.112 50 30 EIEARN Cc1nc(COC(=O)c2ccccc2-c2ccccc2C#N)cs1 ZINC000009548907 211101509 /nfs/dbraw/zinc/10/15/09/211101509.db2.gz BZIBABGKTBYKLU-UHFFFAOYSA-N 0 0 334.400 4.347 50 30 EIEARN O=C(NCc1ccc(F)cc1)c1ccc(C#Cc2ccccc2)cc1 ZINC000008767984 211002619 /nfs/dbraw/zinc/00/26/19/211002619.db2.gz CBZGFRBEWQTUSY-UHFFFAOYSA-N 0 0 329.374 4.156 50 30 EIEARN COc1cc(C#N)ccc1O[C@H](C)c1nc2ccccc2n1C(F)F ZINC000008719844 210990268 /nfs/dbraw/zinc/99/02/68/210990268.db2.gz XIGXQDMVKGDFJX-LLVKDONJSA-N 0 0 343.333 4.452 50 30 EIEARN C[C@H]1CCC[C@H](C)N1NC(=S)Nc1ccc(OC(F)F)cc1 ZINC000008687444 210981743 /nfs/dbraw/zinc/98/17/43/210981743.db2.gz MZONKCXQSXGSCC-QWRGUYRKSA-N 0 0 329.416 4.164 50 30 EIEARN COc1cccc(/C=C/c2nc(C#N)c(NCc3ccccc3)o2)c1 ZINC000008494560 210958210 /nfs/dbraw/zinc/95/82/10/210958210.db2.gz LIKCETOTPHDARB-ZHACJKMWSA-N 0 0 331.375 4.337 50 30 EIEARN N#Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000007884122 210859166 /nfs/dbraw/zinc/85/91/66/210859166.db2.gz MYLLAFMUVAFUHV-OAQYLSRUSA-N 0 0 339.398 4.325 50 30 EIEARN C=C(C)COc1ccc(NC(=O)N2CCCC[C@H]2CCOC)cc1 ZINC000096139023 218622295 /nfs/dbraw/zinc/62/22/95/218622295.db2.gz VRAYQHSKUCKJNX-KRWDZBQOSA-N 0 0 332.444 4.064 50 30 EIEARN C=C(C)C[C@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=O)N(C)C ZINC000006662205 210672886 /nfs/dbraw/zinc/67/28/86/210672886.db2.gz LHXRGNOOLAZLJQ-LJQANCHMSA-N 0 0 342.439 4.479 50 30 EIEARN CNc1ccc(/C=C2\CSc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000005939735 210564317 /nfs/dbraw/zinc/56/43/17/210564317.db2.gz VELUJHIDYSOBEH-XYOKQWHBSA-N 0 0 326.377 4.009 50 30 EIEARN N#Cc1ccc(/C=C\C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000096557464 218883297 /nfs/dbraw/zinc/88/32/97/218883297.db2.gz ZRHGGKGWTVJHSY-YHYXMXQVSA-N 0 0 349.390 4.473 50 30 EIEARN O=C1c2ccccc2OC/C1=C/c1ccc(F)c(Br)c1 ZINC000096767445 218890020 /nfs/dbraw/zinc/89/00/20/218890020.db2.gz OLXSWTNUZYKYDB-XFFZJAGNSA-N 0 0 333.156 4.247 50 30 EIEARN O=C1c2cc(Br)ccc2OCC/C1=C/c1cccc(O)c1 ZINC000096942152 218904712 /nfs/dbraw/zinc/90/47/12/218904712.db2.gz KHCGMLOAUKXNPP-WQLSENKSSA-N 0 0 345.192 4.204 50 30 EIEARN CC(=O)Nc1ccc(/C=C2/CCc3[nH]c4ccc(F)cc4c3C2=O)cc1 ZINC000097029942 218919686 /nfs/dbraw/zinc/91/96/86/218919686.db2.gz DJUHORVMLSBRKQ-UVTDQMKNSA-N 0 0 348.377 4.478 50 30 EIEARN c1ccc(CN=Nc2nc(-c3ccccn3)nc3ccccc32)cc1 ZINC000005111894 210390848 /nfs/dbraw/zinc/39/08/48/210390848.db2.gz OPFPUMGPIKYLEE-HYARGMPZSA-N 0 0 325.375 4.138 50 30 EIEARN O=C(/C=C/c1cc2c(cc1Br)OCO2)c1cccs1 ZINC000005059504 210378119 /nfs/dbraw/zinc/37/81/19/210378119.db2.gz KBXZKLFIYPJFGL-ONEGZZNKSA-N 0 0 337.194 4.135 50 30 EIEARN CCOC(=O)[C@H](C#N)[C@H](c1ccc(C)cc1)[C@H]1CCO[C@@](C)(CC)C1 ZINC000005068079 210381616 /nfs/dbraw/zinc/38/16/16/210381616.db2.gz AAVPTEIKESEQEC-PXCRPINLSA-N 0 0 343.467 4.377 50 30 EIEARN COc1ccc2c(c1C)CCC/C2=N\OC(=O)c1ccccc1F ZINC000005060691 210379991 /nfs/dbraw/zinc/37/99/91/210379991.db2.gz LOLWTSARFNPRLW-HEHNFIMWSA-N 0 0 327.355 4.040 50 30 EIEARN N#Cc1ccc(C(F)(F)F)c(N[C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000097163624 218979931 /nfs/dbraw/zinc/97/99/31/218979931.db2.gz ADDQOFRHSOAIRW-DOMZBBRYSA-N 0 0 342.386 4.044 50 30 EIEARN N#Cc1cc2c(nc1S[C@H]1CCc3ccccc3C1=O)CCCC2 ZINC000004978069 210346469 /nfs/dbraw/zinc/34/64/69/210346469.db2.gz PDGBFNZTPAOWIM-SFHVURJKSA-N 0 0 334.444 4.122 50 30 EIEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(C#Cc3ccccc3)cc2)cc1 ZINC000004956483 210338819 /nfs/dbraw/zinc/33/88/19/210338819.db2.gz AIILUTMYLAXKCK-CJLVFECKSA-N 0 0 341.370 4.441 50 30 EIEARN C=C(C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000004943162 210334443 /nfs/dbraw/zinc/33/44/43/210334443.db2.gz HDESOYKAJYMBGM-QGZVFWFLSA-N 0 0 345.446 4.441 50 30 EIEARN C=CCOc1ccc(C(=O)Nc2ccccc2Br)cc1 ZINC000004842783 210295975 /nfs/dbraw/zinc/29/59/75/210295975.db2.gz FJXLFQKKJLQRDA-UHFFFAOYSA-N 0 0 332.197 4.266 50 30 EIEARN CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1 ZINC000004823068 210288063 /nfs/dbraw/zinc/28/80/63/210288063.db2.gz BKWUMNGGIQLCIC-NYYWCZLTSA-N 0 0 344.208 4.304 50 30 EIEARN Cn1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)c2ccccc21 ZINC000004798168 210280492 /nfs/dbraw/zinc/28/04/92/210280492.db2.gz LUYZIUNYNIGVNL-BOPFTXTBSA-N 0 0 333.416 4.070 50 30 EIEARN N#C[C@@H](C(=O)Nc1ccccc1F)c1nc2cc(Cl)ccc2s1 ZINC000119408982 221313759 /nfs/dbraw/zinc/31/37/59/221313759.db2.gz AAUHIMAABFYGNH-JTQLQIEISA-N 0 0 345.786 4.335 50 30 EIEARN CC(C)n1ncnc1CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000328588646 258045474 /nfs/dbraw/zinc/04/54/74/258045474.db2.gz TVAIOROLMCHDLR-INIZCTEOSA-N 0 0 345.450 4.248 50 30 EIEARN Cc1ccc(NC(=O)CNC(=O)c2ccc(F)c(C#N)c2)c(Cl)c1 ZINC000330031784 258003041 /nfs/dbraw/zinc/00/30/41/258003041.db2.gz DDTWWEQCCFNSDW-UHFFFAOYSA-N 0 0 345.761 4.252 50 30 EIEARN C#CCCOc1ccc(CNC2(c3nccs3)CCCC2)cc1 ZINC000072286600 258015518 /nfs/dbraw/zinc/01/55/18/258015518.db2.gz HPDLRWZCAODISH-UHFFFAOYSA-N 0 0 326.465 4.104 50 30 EIEARN C=C(C)Cn1c(CCCNC(=O)c2cccs2)nc2ccccc21 ZINC000002460956 258016503 /nfs/dbraw/zinc/01/65/03/258016503.db2.gz IYJXWOMXIMSTGS-UHFFFAOYSA-N 0 0 339.464 4.037 50 30 EIEARN C=CCOc1ccccc1/C=C1\SC(N2CCCCCC2)=NC1=O ZINC000013370384 258017427 /nfs/dbraw/zinc/01/74/27/258017427.db2.gz FWMGFUVLBHFNJA-VKAVYKQESA-N 0 0 342.464 4.098 50 30 EIEARN C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccccc1C ZINC000007720145 258017801 /nfs/dbraw/zinc/01/78/01/258017801.db2.gz AYRWZUJPXHKHOT-UHFFFAOYSA-N 0 0 347.418 4.182 50 30 EIEARN C#CCn1c2ccccc2nc1SCCOc1ccc(CC)cc1 ZINC000012062338 258018108 /nfs/dbraw/zinc/01/81/08/258018108.db2.gz ZFENUOLBQMYLJG-UHFFFAOYSA-N 0 0 336.460 4.403 50 30 EIEARN CN(C)c1ccnc(N(Cc2ccccc2)Cc2ccccc2)c1C#N ZINC000035334613 258059315 /nfs/dbraw/zinc/05/93/15/258059315.db2.gz CCNHJWKQNZUWBC-UHFFFAOYSA-N 0 0 342.446 4.226 50 30 EIEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C ZINC000254102384 258073531 /nfs/dbraw/zinc/07/35/31/258073531.db2.gz NUSUWEUUEXDJDY-DAJPDWFSSA-N 0 0 342.479 4.149 50 30 EIEARN Cc1ccc(C)c(N2CCN(C(=S)NC3CCCCC3)CC2)c1 ZINC000008684852 135684125 /nfs/dbraw/zinc/68/41/25/135684125.db2.gz FXHKSDYHDCSYSK-UHFFFAOYSA-N 0 0 331.529 4.044 50 30 EIEARN C=CC(C)(C)c1cc(/C=C/C(=O)c2ccc(OC)cc2)c(O)cc1O ZINC000031167012 518683109 /nfs/dbraw/zinc/68/31/09/518683109.db2.gz TZHSNGXLLUGMMD-DHZHZOJOSA-N 0 0 338.403 4.466 50 30 biogenic,in-vitro EIEARN C=CCN(c1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000000270339 518819385 /nfs/dbraw/zinc/81/93/85/518819385.db2.gz VNVWSWJMIJDIME-OAQYLSRUSA-N 0 0 334.463 4.479 50 30 EIEARN C=CCNC(=S)NCC[C@@H]1[C@@H](c2c(C)[nH]c3ccccc32)C1(C)C ZINC000003764159 518950794 /nfs/dbraw/zinc/95/07/94/518950794.db2.gz GOXUGZPZDXDYSW-QAPCUYQASA-N 0 0 341.524 4.256 50 30 EIEARN C=CCNc1nnc(SCc2coc(-c3ccccc3)n2)s1 ZINC000014014962 518966574 /nfs/dbraw/zinc/96/65/74/518966574.db2.gz VWLCCYSTLGKPTF-UHFFFAOYSA-N 0 0 330.438 4.083 50 30 EIEARN C=CCSc1nc2ccccc2n1C(=O)COc1ccccc1F ZINC000004815761 519081107 /nfs/dbraw/zinc/08/11/07/519081107.db2.gz DTVKJAHVVKCZJC-UHFFFAOYSA-N 0 0 342.395 4.173 50 30 EIEARN C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000253427609 519141780 /nfs/dbraw/zinc/14/17/80/519141780.db2.gz CUZZSSDGHPERLP-QZTJIDSGSA-N 0 0 342.483 4.429 50 30 EIEARN C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1cccs1 ZINC000000551081 519233791 /nfs/dbraw/zinc/23/37/91/519233791.db2.gz WXBKHOYDZAUSRM-UHFFFAOYSA-N 0 0 341.461 4.168 50 30 EIEARN C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1cccnc1 ZINC000016755569 519242591 /nfs/dbraw/zinc/24/25/91/519242591.db2.gz QWAUKVGPJJFRTG-UHFFFAOYSA-N 0 0 342.855 4.472 50 30 EIEARN CCCN(CC#Cc1ccccc1)Cc1ccc(C(F)(F)F)nc1 ZINC000055281527 521524987 /nfs/dbraw/zinc/52/49/87/521524987.db2.gz VMQIPLQTITYRJM-UHFFFAOYSA-N 0 0 332.369 4.364 50 30 EIEARN COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cc(C)ccc1C ZINC000008322702 522817093 /nfs/dbraw/zinc/81/70/93/522817093.db2.gz MKYGEYHDRAGBMP-CMDGGOBGSA-N 0 0 326.392 4.225 50 30 EIEARN COc1ccc(C(C)N=Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000006995617 523362950 /nfs/dbraw/zinc/36/29/50/523362950.db2.gz OLOFGEANNOXWAJ-MTJSOVHGSA-N 0 0 341.411 4.216 50 30 EIEARN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCc3ccccc32)c1 ZINC000025447686 524407175 /nfs/dbraw/zinc/40/71/75/524407175.db2.gz QDHDHXKWUVWMHD-UHFFFAOYSA-N 0 0 347.462 4.003 50 30 EIEARN C[C@]12CC[C@@H]3[C@H](C=CC4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000254799144 525349053 /nfs/dbraw/zinc/34/90/53/525349053.db2.gz UJVLDDZCTMKXJK-NDDOAYCYSA-N 0 0 340.463 4.370 50 30 in-vitro EIEARN Cc1ccc(Oc2cc(CNc3ncccc3C#N)ccn2)cc1C ZINC000052315328 525472293 /nfs/dbraw/zinc/47/22/93/525472293.db2.gz JWFNRVREOIHFMR-UHFFFAOYSA-N 0 0 330.391 4.370 50 30 EIEARN COc1cccc(C(=O)O/N=C(\C)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000005382243 525839264 /nfs/dbraw/zinc/83/92/64/525839264.db2.gz FWHQLNQEJVBFLP-YMLLVQOGSA-N 0 0 327.355 4.171 50 30 EIEARN COc1cccc(Nc2nnc(S[C@H]3CC[C@H](C#N)C3)s2)c1 ZINC000253428884 526212666 /nfs/dbraw/zinc/21/26/66/526212666.db2.gz LOUGKXLLRDJHMP-GWCFXTLKSA-N 0 0 332.454 4.075 50 30 EIEARN O=[N+]([O-])c1cccc(-c2csc(N=NCc3ccc(F)cc3)n2)c1 ZINC000031854342 527383209 /nfs/dbraw/zinc/38/32/09/527383209.db2.gz JBBNYALNXCQGST-NVMNQCDNSA-N 0 0 342.355 4.303 50 30 EIEARN O=C(C[C@H]1CCCCC(=O)N1)Nc1ccccc1[C@H](O)C(F)(F)F ZINC000328588064 527503324 /nfs/dbraw/zinc/50/33/24/527503324.db2.gz OQGIAGFGJKWCMZ-BMIGLBTASA-N 0 0 344.333 4.160 50 30 EIEARN Cn1nccc1[C@H]1CCCCN1C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000328588014 527630333 /nfs/dbraw/zinc/63/03/33/527630333.db2.gz LWUWUISYXJDDPD-GOSISDBHSA-N 0 0 342.418 4.209 50 30 EIEARN O=C(/C=C/c1cccnc1)c1ccc(C(=O)/C=C/c2cccnc2)cc1 ZINC000004948420 527639503 /nfs/dbraw/zinc/63/95/03/527639503.db2.gz IOESTAVFGVAMRH-YDWXAUTNSA-N 0 0 340.382 4.269 50 30 EIEARN CSc1nnc(SC2=CC(=O)C[C@@H](c3ccccc3)C2)s1 ZINC000000142731 563242903 /nfs/dbraw/zinc/24/29/03/563242903.db2.gz WDLAIVBTFNPRAO-LLVKDONJSA-N 0 0 334.491 4.383 50 30 EIEARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc4ccccc4n32)cc1 ZINC000000222553 563262686 /nfs/dbraw/zinc/26/26/86/563262686.db2.gz OFNWKPNBXDOOHX-FQEVSTJZSA-N 0 0 345.402 4.067 50 30 EIEARN CCN(CC)c1ccc(/C=N/c2cc([N+](=O)[O-])ccc2C)c(O)c1 ZINC000000296951 563274708 /nfs/dbraw/zinc/27/47/08/563274708.db2.gz BNZUOUBLHCHDIS-XDHOZWIPSA-N 0 0 327.384 4.206 50 30 EIEARN COc1ccc(NC=CC(=O)c2ccc(Br)cc2)cc1 ZINC000000305465 563277808 /nfs/dbraw/zinc/27/78/08/563277808.db2.gz BKFAZKGXYYNXAP-ZHACJKMWSA-N 0 0 332.197 4.266 50 30 EIEARN N#C[C@@H](CC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000001397694 563386775 /nfs/dbraw/zinc/38/67/75/563386775.db2.gz LEKWTELAOCTYRX-CYBMUJFWSA-N 0 0 332.172 4.468 50 30 EIEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1cccc(Cl)c1 ZINC000002300789 563428782 /nfs/dbraw/zinc/42/87/82/563428782.db2.gz SIIWVQBOZMCUKO-GIJQJNRQSA-N 0 0 349.246 4.423 50 30 EIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 ZINC000005687225 563545880 /nfs/dbraw/zinc/54/58/80/563545880.db2.gz RCBDXVKFXNBJFC-LJQANCHMSA-N 0 0 347.414 4.068 50 30 EIEARN N#CC(C(=O)CCc1cscn1)c1nc2cc(Cl)ccc2s1 ZINC000071905016 563559265 /nfs/dbraw/zinc/55/92/65/563559265.db2.gz WRAUDTIFTGCVBO-LLVKDONJSA-N 0 0 347.852 4.215 50 30 EIEARN C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000097385435 563620323 /nfs/dbraw/zinc/62/03/23/563620323.db2.gz OXAQEGPGLKNUSF-JQHRQWORSA-N 0 0 338.319 4.189 50 30 EIEARN COc1cc(C#N)ccc1OC(=O)c1cc(Cl)sc1Cl ZINC000032557180 563648334 /nfs/dbraw/zinc/64/83/34/563648334.db2.gz JEZGCJALIYVKSX-UHFFFAOYSA-N 0 0 328.176 4.154 50 30 EIEARN N#C[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000012650781 563666854 /nfs/dbraw/zinc/66/68/54/563666854.db2.gz YAXKYRCLGPDXMX-HNNXBMFYSA-N 0 0 332.403 4.314 50 30 EIEARN Cn1c2ccccc2s/c1=N\N=C\c1cccc(Cl)c1Cl ZINC000012898337 563676430 /nfs/dbraw/zinc/67/64/30/563676430.db2.gz WVWYWBDVRILKAY-DOSZSBMMSA-N 0 0 336.247 4.481 50 30 EIEARN Cc1c(Cl)cccc1/N=C1\C(=O)Nc2ccc(Br)cc21 ZINC000013856200 563726875 /nfs/dbraw/zinc/72/68/75/563726875.db2.gz CTLCVAVLIVPQGR-UHFFFAOYSA-N 0 0 349.615 4.484 50 30 EIEARN CC[C@H](C)c1ccccc1NC(=O)COc1ccc(C#N)cc1OC ZINC000004494098 563733911 /nfs/dbraw/zinc/73/39/11/563733911.db2.gz RISQJLQXOYWOSS-AWEZNQCLSA-N 0 0 338.407 4.098 50 30 EIEARN Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C/c1cccc(C#N)c1 ZINC000060062638 563767221 /nfs/dbraw/zinc/76/72/21/563767221.db2.gz JCIHSMWAOXXTBF-VAWYXSNFSA-N 0 0 327.387 4.257 50 30 EIEARN CC1(C)OC(C)(C)C(=CNc2cc3ccccc3cc2[N+](=O)[O-])C1=O ZINC000017111590 563836776 /nfs/dbraw/zinc/83/67/76/563836776.db2.gz WQBOFLQXYDBKJU-KAMYIIQDSA-N 0 0 340.379 4.200 50 30 EIEARN Cc1ccc(C)c(/N=C2\S/C(=C/c3ccccc3O)C(=O)N2C)c1 ZINC000017154988 563838818 /nfs/dbraw/zinc/83/88/18/563838818.db2.gz CTHLEBXZTWEAGM-KRICTJEJSA-N 0 0 338.432 4.243 50 30 EIEARN COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c1 ZINC000017155006 563838822 /nfs/dbraw/zinc/83/88/22/563838822.db2.gz CZLPUJWLOAOXQB-QHHAONBESA-N 0 0 338.432 4.237 50 30 EIEARN Clc1ccc2oc(C3=NN/C(=N\C4CCCC4)SC3)cc2c1 ZINC000024512933 563872143 /nfs/dbraw/zinc/87/21/43/563872143.db2.gz IOQXQFGUKCDDDU-UHFFFAOYSA-N 0 0 333.844 4.425 50 30 EIEARN C#CCOC(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC000072270410 563896206 /nfs/dbraw/zinc/89/62/06/563896206.db2.gz OBUXDILAMUOMGK-MRXNPFEDSA-N 0 0 335.186 4.290 50 30 EIEARN CC(C)n1cc(C(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)cn1 ZINC000060298935 563922537 /nfs/dbraw/zinc/92/25/37/563922537.db2.gz GTTPMVPJAVWILA-HWKANZROSA-N 0 0 328.799 4.332 50 30 EIEARN COc1cccc([C@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000013720246 563932295 /nfs/dbraw/zinc/93/22/95/563932295.db2.gz ROLBICQTBPVZJA-KRWDZBQOSA-N 0 0 338.407 4.192 50 30 EIEARN Cc1noc2c1[C@H](c1ccccc1F)C1=C(CC(C)(C)CC1=O)N2 ZINC000013733241 563932453 /nfs/dbraw/zinc/93/24/53/563932453.db2.gz NYGIDHMFPJLMRH-INIZCTEOSA-N 0 0 326.371 4.323 50 30 EIEARN COc1ccc2c(c1)C(=O)/C(=C\c1ccccc1C(F)(F)F)CO2 ZINC000083969965 563935803 /nfs/dbraw/zinc/93/58/03/563935803.db2.gz XNDQGGRXKNERPJ-WQLSENKSSA-N 0 0 334.293 4.373 50 30 EIEARN COc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1O ZINC000072333014 563936395 /nfs/dbraw/zinc/93/63/95/563936395.db2.gz OLGVNBMZTTZEGT-JXMROGBWSA-N 0 0 333.181 4.059 50 30 EIEARN CC(C)Oc1ccc(C#N)cc1NCc1nc(-c2cccs2)no1 ZINC000058157478 563938137 /nfs/dbraw/zinc/93/81/37/563938137.db2.gz BAPMIQMTANIEGL-UHFFFAOYSA-N 0 0 340.408 4.069 50 30 EIEARN Cc1ccc(/C=C2/CCOc3ccc(F)cc3C2=O)cc1[N+](=O)[O-] ZINC000096988702 563966576 /nfs/dbraw/zinc/96/65/76/563966576.db2.gz LGEQTWMJHYXATF-JYRVWZFOSA-N 0 0 327.311 4.091 50 30 EIEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(N3C(=O)C=CC3=O)cc2)cc1 ZINC000074941606 563967072 /nfs/dbraw/zinc/96/70/72/563967072.db2.gz XZJAPYPVAKYDDV-LFYBBSHMSA-N 0 0 345.398 4.136 50 30 EIEARN FC1(F)C(F)(F)C(F)(F)[C@@](F)(Cl)[C@](F)(Cl)C1(F)F ZINC000082204982 563972907 /nfs/dbraw/zinc/97/29/07/563972907.db2.gz IESCLXSTSQIECY-JCYAYHJZSA-N 0 0 332.952 4.350 50 30 EIEARN CSc1cccc(NC(=O)CSCc2ccc(C#N)cc2)c1 ZINC000014014673 563982915 /nfs/dbraw/zinc/98/29/15/563982915.db2.gz XQUJCIQJMAGKJW-UHFFFAOYSA-N 0 0 328.462 4.152 50 30 EIEARN Cc1n[nH]c(C)c1-c1cc(-c2cc(F)cc(Cl)c2)c(C#N)c(N)n1 ZINC000071765351 563983045 /nfs/dbraw/zinc/98/30/45/563983045.db2.gz NZZNNUQKRGYVBY-UHFFFAOYSA-N 0 0 341.777 4.002 50 30 EIEARN Cc1cccc(Cl)c1NC(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000328594357 563984324 /nfs/dbraw/zinc/98/43/24/563984324.db2.gz FKSKFCKGOYIDAA-MRXNPFEDSA-N 0 0 330.815 4.267 50 30 EIEARN Fc1cccc(Cl)c1/C=N/n1cnnc1SCc1ccccc1 ZINC000000147611 563987282 /nfs/dbraw/zinc/98/72/82/563987282.db2.gz PZMDYWCYVQXDRI-AWQFTUOYSA-N 0 0 346.818 4.245 50 30 EIEARN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)CC#N ZINC000158375856 563988298 /nfs/dbraw/zinc/98/82/98/563988298.db2.gz YKXFHWGXKGWBGV-CQSZACIVSA-N 0 0 334.379 4.083 50 30 EIEARN COc1ccc([C@@H]2CC(=O)C=C(Nc3ccc(F)cc3F)C2)cc1 ZINC000000117797 563988990 /nfs/dbraw/zinc/98/89/90/563988990.db2.gz MMGDUWCNRAKHFQ-ZDUSSCGKSA-N 0 0 329.346 4.416 50 30 EIEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1 ZINC000000252157 563989524 /nfs/dbraw/zinc/98/95/24/563989524.db2.gz ABPYFAMDHXTVCZ-QGZVFWFLSA-N 0 0 345.446 4.360 50 30 EIEARN CCCN(C)c1ccc(/C=N/NC(=S)Nc2cccc(C)c2)cc1 ZINC000000263930 563989850 /nfs/dbraw/zinc/98/98/50/563989850.db2.gz VLXOIFNIAZBIIF-XSFVSMFZSA-N 0 0 340.496 4.162 50 30 EIEARN CCOC(=O)c1c(C)c(C)sc1/N=C/c1cc(OC)ccc1O ZINC000000280943 563990185 /nfs/dbraw/zinc/99/01/85/563990185.db2.gz USEVJGGLYRAOCK-GIJQJNRQSA-N 0 0 333.409 4.006 50 30 EIEARN COc1cc(/C=C2/COc3ccccc3C2=O)cc(Cl)c1OC ZINC000033651659 563993754 /nfs/dbraw/zinc/99/37/54/563993754.db2.gz ZIQPVTFBXRCBPH-GHXNOFRVSA-N 0 0 330.767 4.016 50 30 EIEARN CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CCC3)cc1 ZINC000000107391 563996324 /nfs/dbraw/zinc/99/63/24/563996324.db2.gz SPFWZALESYYYBI-NRFANRHFSA-N 0 0 333.435 4.338 50 30 EIEARN COc1ccc(NC(=O)ON=C(c2ccccc2)c2ccncc2)cc1 ZINC000252607380 563997987 /nfs/dbraw/zinc/99/79/87/563997987.db2.gz HBSPPPYVMAUNGN-UHFFFAOYSA-N 0 0 347.374 4.091 50 30 EIEARN C[C@H](C#N)Oc1ccc([C@@H]2Nc3c4ccccc4sc3C(=O)N2)cc1 ZINC000078765265 564000933 /nfs/dbraw/zinc/00/09/33/564000933.db2.gz YMLLMWITBUCZIJ-ADLMAVQZSA-N 0 0 349.415 4.046 50 30 EIEARN CCN(CC)c1ccc(CN=NC(=S)Nc2ccccc2)cc1 ZINC000005237128 564001422 /nfs/dbraw/zinc/00/14/22/564001422.db2.gz DRCVCGPCPLQWDM-RGEXLXHISA-N 0 0 326.469 4.265 50 30 EIEARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C#N)c1 ZINC000000096469 564002042 /nfs/dbraw/zinc/00/20/42/564002042.db2.gz YTHLVBWZGCZKCS-SNVBAGLBSA-N 0 0 335.190 4.271 50 30 EIEARN Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccccc3F)S2)c1C ZINC000005376920 564003240 /nfs/dbraw/zinc/00/32/40/564003240.db2.gz IOAPKCVVACTRPA-YBEGLDIGSA-N 0 0 326.396 4.334 50 30 EIEARN O=C1c2cccc(O)c2C/C1=C\c1cc(Cl)c2c(c1)OCCCO2 ZINC000062581102 564006491 /nfs/dbraw/zinc/00/64/91/564006491.db2.gz IQDDWYZDOXLJPW-KPKJPENVSA-N 0 0 342.778 4.029 50 30 EIEARN C[C@@H](Sc1ccc2ccccc2n1)C(=O)NC1(C#N)CCCCC1 ZINC000005627281 564006711 /nfs/dbraw/zinc/00/67/11/564006711.db2.gz KGEKYBMKPAOIAN-CQSZACIVSA-N 0 0 339.464 4.058 50 30 EIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(F)c3F)sc2C1 ZINC000000484158 564016901 /nfs/dbraw/zinc/01/69/01/564016901.db2.gz QGSNKRHSQSWXEB-SECBINFHSA-N 0 0 332.375 4.275 50 30 EIEARN Cc1cc(=O)oc2c3c(ccc12)O/C(=C\c1ccccc1Cl)C3=O ZINC000000486243 564017140 /nfs/dbraw/zinc/01/71/40/564017140.db2.gz WSWXUJFPVLXBEQ-DHDCSXOGSA-N 0 0 338.746 4.371 50 30 biogenic EIEARN CCCCCCCC[C@H](O)[C@H](O)CCCCCCCC(=O)OC ZINC000085603888 564017670 /nfs/dbraw/zinc/01/76/70/564017670.db2.gz RITHLQKJQSKUAO-ZWKOTPCHSA-N 0 0 330.509 4.363 50 30 EIEARN CC(Nc1ccc(C)cc1)=C1C(C)=NN(c2nc3ccccc3[nH]2)C1=O ZINC000018190357 564018590 /nfs/dbraw/zinc/01/85/90/564018590.db2.gz HYRHEONZSLCXJZ-LANLRWRYSA-N 0 0 345.406 4.003 50 30 EIEARN Cc1ccsc1/C=C1\Oc2cc(OC(=O)C(C)C)ccc2C1=O ZINC000000539901 564022324 /nfs/dbraw/zinc/02/23/24/564022324.db2.gz ZIOCGGNGMCFAQI-DHDCSXOGSA-N 0 0 328.389 4.234 50 30 EIEARN N#Cc1nc(-c2cccc(Cl)c2)oc1N1CCc2ccccc2C1 ZINC000000543423 564022519 /nfs/dbraw/zinc/02/25/19/564022519.db2.gz OOSPXOKMBONLFV-UHFFFAOYSA-N 0 0 335.794 4.429 50 30 EIEARN N#Cc1ccc(COC(=O)/C=C/c2cccc3cccnc23)c(F)c1 ZINC000014855458 564024959 /nfs/dbraw/zinc/02/49/59/564024959.db2.gz IEJUZTRTBHJCAA-CMDGGOBGSA-N 0 0 332.334 4.002 50 30 EIEARN N#CC(C(=O)C1(c2ccccc2)CCC1)c1ccc(C(F)(F)F)cn1 ZINC000048828998 564032323 /nfs/dbraw/zinc/03/23/23/564032323.db2.gz DZKKBBVQWFLFHL-OAHLLOKOSA-N 0 0 344.336 4.399 50 30 EIEARN O=C(CCc1ccccc1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000032905208 564036273 /nfs/dbraw/zinc/03/62/73/564036273.db2.gz HMEBIWFJDBILEF-UHFFFAOYSA-N 0 0 326.399 4.053 50 30 EIEARN C=C1C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@]1(O)C(C)=O ZINC000253395536 564053626 /nfs/dbraw/zinc/05/36/26/564053626.db2.gz CAHSRYQWSFJFGS-REGVOWLASA-N 0 0 342.479 4.005 50 30 EIEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C ZINC000257357403 564055944 /nfs/dbraw/zinc/05/59/44/564055944.db2.gz NUSUWEUUEXDJDY-NNKRLZNNSA-N 0 0 342.479 4.149 50 30 EIEARN COc1ccc(O)c(-c2cnc(N=NC(C)c3ccccc3)s2)c1 ZINC000261491592 564056126 /nfs/dbraw/zinc/05/61/26/564056126.db2.gz MCXYQZRUPQGAHK-UDWIEESQSA-N 0 0 339.420 4.360 50 30 EIEARN CCOc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@H]1C)C2=O ZINC000005906329 564056948 /nfs/dbraw/zinc/05/69/48/564056948.db2.gz ZVDISHRNPYMDSO-GHOUAXAESA-N 0 0 334.371 4.409 50 30 biogenic EIEARN CCc1ccc(/N=C2\NC(=O)[C@@H](Cc3ccccc3Cl)S2)cc1 ZINC000005931539 564057054 /nfs/dbraw/zinc/05/70/54/564057054.db2.gz CVFIFOPJVBUGQK-MRXNPFEDSA-N 0 0 344.867 4.364 50 30 EIEARN Cn1nc(C(F)(F)F)c(C#N)c1OCc1ccc(C(C)(C)C)cc1 ZINC000001391306 564064411 /nfs/dbraw/zinc/06/44/11/564064411.db2.gz FFTBROJNXQUOKW-UHFFFAOYSA-N 0 0 337.345 4.187 50 30 EIEARN N#CC[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(Cl)cc1 ZINC000001391643 564064533 /nfs/dbraw/zinc/06/45/33/564064533.db2.gz JVEBKVBVIZSXGO-QGZVFWFLSA-N 0 0 325.799 4.385 50 30 EIEARN C=CCN(Cc1ccc(Cl)s1)Cc1nnc(-c2ccco2)o1 ZINC000058013813 564065280 /nfs/dbraw/zinc/06/52/80/564065280.db2.gz NUIWBYGRXOGUQD-UHFFFAOYSA-N 0 0 335.816 4.233 50 30 EIEARN CC[C@H](C)Cc1c(C)sc2[nH]c(SCCCC#N)nc(=O)c12 ZINC000012747093 564065737 /nfs/dbraw/zinc/06/57/37/564065737.db2.gz LSVZKQVRRWMDDQ-JTQLQIEISA-N 0 0 335.498 4.278 50 30 EIEARN N#Cc1ccccc1NC(=O)Nc1cccc(CCc2ccccn2)c1 ZINC000001431662 564066897 /nfs/dbraw/zinc/06/68/97/564066897.db2.gz JATUSXAPIXIQOS-UHFFFAOYSA-N 0 0 342.402 4.382 50 30 EIEARN Cc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)c1 ZINC000006046306 564072638 /nfs/dbraw/zinc/07/26/38/564072638.db2.gz RCIPRDDPBNEERZ-KRWDZBQOSA-N 0 0 340.810 4.159 50 30 EIEARN C#CCN1C(=O)S/C(=C\c2cn([C@H](C)CC)c3ccccc23)C1=O ZINC000013880807 564074013 /nfs/dbraw/zinc/07/40/13/564074013.db2.gz IQMUFKSVNORRFO-GPLLRDDGSA-N 0 0 338.432 4.282 50 30 EIEARN C=CCc1cccc2cc(C(=O)Nc3ccc(C)c(C)c3)c(=O)oc21 ZINC000000105732 564074497 /nfs/dbraw/zinc/07/44/97/564074497.db2.gz CNEDGEGVFOJWOO-UHFFFAOYSA-N 0 0 333.387 4.391 50 30 EIEARN C=C(Cl)COc1ccc2c3ccc(OC)cc3c(=O)oc2c1C ZINC000001165289 564074672 /nfs/dbraw/zinc/07/46/72/564074672.db2.gz JNYGLOJMMJYJSQ-UHFFFAOYSA-N 0 0 330.767 4.395 50 30 EIEARN C=CCC[C@@H]([C@@H](OC)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002074663 564074779 /nfs/dbraw/zinc/07/47/79/564074779.db2.gz HXNAVZIYCCBMGV-PMACEKPBSA-N 0 0 344.476 4.491 50 30 EIEARN CCOc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)CC3)cc1 ZINC000001518235 564075694 /nfs/dbraw/zinc/07/56/94/564075694.db2.gz RVODWYHCZBEJPK-LBPRGKRZSA-N 0 0 340.448 4.396 50 30 EIEARN CCOc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)CC3)cc1 ZINC000001518233 564075715 /nfs/dbraw/zinc/07/57/15/564075715.db2.gz RVODWYHCZBEJPK-GFCCVEGCSA-N 0 0 340.448 4.396 50 30 EIEARN C=C[C@@H](C/C=C\C)OC(=O)[C@](OC)(c1ccccc1)C(F)(F)F ZINC000043762845 564076230 /nfs/dbraw/zinc/07/62/30/564076230.db2.gz NASJXQFMFBTFRH-SBURYJAWSA-N 0 0 328.330 4.155 50 30 EIEARN S=C1N=NC(c2cccc(Cl)c2)N1N=CC=Cc1ccccc1 ZINC000006192672 564078701 /nfs/dbraw/zinc/07/87/01/564078701.db2.gz WNXMXIHAKAEEGC-CEGJKDKLSA-N 0 0 340.839 4.435 50 30 EIEARN COc1ccc(-c2nc(NC(=O)c3ccc(C#N)cc3)sc2C)cc1 ZINC000006200840 564082233 /nfs/dbraw/zinc/08/22/33/564082233.db2.gz LJFWMSZYWOKTMT-UHFFFAOYSA-N 0 0 349.415 4.251 50 30 EIEARN Fc1ccccc1CN=Nc1nc2ccccc2nc1C(F)(F)F ZINC000006322802 564085039 /nfs/dbraw/zinc/08/50/39/564085039.db2.gz SKFRFRZDZGNKHS-ZVBGSRNCSA-N 0 0 334.276 4.234 50 30 EIEARN C=CCOc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000001828411 564088735 /nfs/dbraw/zinc/08/87/35/564088735.db2.gz QKXIDEALFPPICG-GHRIWEEISA-N 0 0 337.400 4.492 50 30 EIEARN N#Cc1cccc(Br)c1OC(C(F)(F)F)C(F)(F)F ZINC000169725857 564099181 /nfs/dbraw/zinc/09/91/81/564099181.db2.gz DBBXVHBXOWGVCE-UHFFFAOYSA-N 0 0 348.040 4.193 50 30 EIEARN N#Cc1ccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 ZINC000006886532 564100664 /nfs/dbraw/zinc/10/06/64/564100664.db2.gz IDROBLVHNBMKNT-UHFFFAOYSA-N 0 0 341.342 4.212 50 30 EIEARN CCCn1cc2c3c1cccc3CN(C(=O)c1cccc(C#N)c1)CC2 ZINC000065148632 564101597 /nfs/dbraw/zinc/10/15/97/564101597.db2.gz BMNDCZSMLKEBCW-UHFFFAOYSA-N 0 0 343.430 4.121 50 30 EIEARN COc1cc(C#N)ccc1OC(=O)c1cc2c(s1)CCCCC2 ZINC000006998207 564102789 /nfs/dbraw/zinc/10/27/89/564102789.db2.gz VFNNAJPEDROGRW-UHFFFAOYSA-N 0 0 327.405 4.116 50 30 EIEARN Cc1sc(-n2c(C)ccc2C)c(C(=O)N(C)C[C@H](C)C#N)c1C ZINC000065549875 564107388 /nfs/dbraw/zinc/10/73/88/564107388.db2.gz GTVQDUXTGMZQDB-LLVKDONJSA-N 0 0 329.469 4.004 50 30 EIEARN C[C@@H](NC(=O)N(CCC#N)c1ccccc1F)[C@@H](C)c1ccccc1 ZINC000170616161 564110101 /nfs/dbraw/zinc/11/01/01/564110101.db2.gz AWOFNOKAKIAHGH-HZPDHXFCSA-N 0 0 339.414 4.448 50 30 EIEARN Clc1ccc(/C=N\N2CCN(c3ccccc3)CC2)cc1Cl ZINC000016776989 564113160 /nfs/dbraw/zinc/11/31/60/564113160.db2.gz CJPIZAHTNFOETB-MOSHPQCFSA-N 0 0 334.250 4.150 50 30 EIEARN CC(C)(C#N)CCCn1ccc2ccn(Cc3ccccc3)c2c1=O ZINC000089761667 564113580 /nfs/dbraw/zinc/11/35/80/564113580.db2.gz NLKCKLRBOHVYQI-UHFFFAOYSA-N 0 0 333.435 4.181 50 30 EIEARN CCNc1ccc(C#N)cc1NCc1cc(=O)oc2c(C)c(C)ccc12 ZINC000170656965 564120931 /nfs/dbraw/zinc/12/09/31/564120931.db2.gz GFZBCHJRWINPOW-UHFFFAOYSA-N 0 0 347.418 4.325 50 30 EIEARN N#Cc1cccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000007651702 564121531 /nfs/dbraw/zinc/12/15/31/564121531.db2.gz NDHQHYWDURBYKI-UHFFFAOYSA-N 0 0 344.370 4.368 50 30 EIEARN Clc1c(C=NNc2nc3ccccc3s2)nc2sccn12 ZINC000252616860 564122148 /nfs/dbraw/zinc/12/21/48/564122148.db2.gz 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/nfs/dbraw/zinc/12/90/65/564129065.db2.gz KAKXESVUJSNHGK-UHFFFAOYSA-N 0 0 349.365 4.026 50 30 EIEARN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21C=CC(=O)O1 ZINC000071770774 564129474 /nfs/dbraw/zinc/12/94/74/564129474.db2.gz BGUOVGQHDRRBST-DHNHVGITSA-N 0 0 340.463 4.370 50 30 EIEARN C=C1C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]2(C)[C@]1(O)C(C)=O ZINC000034114427 564130132 /nfs/dbraw/zinc/13/01/32/564130132.db2.gz CAHSRYQWSFJFGS-LJUYRKFLSA-N 0 0 342.479 4.005 50 30 EIEARN C=CCSc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000002285285 564130277 /nfs/dbraw/zinc/13/02/77/564130277.db2.gz MBZCESDGZHTWKD-UHFFFAOYSA-N 0 0 343.477 4.369 50 30 EIEARN O=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)F)oc2ccccc12 ZINC000002305274 564132120 /nfs/dbraw/zinc/13/21/20/564132120.db2.gz JSDPNMABYXUJDC-UHFFFAOYSA-N 0 0 346.173 4.421 50 30 EIEARN COC1=CC2=CC[C@@H]3[C@@H]4CC[C@]5(CO5)[C@@]4(C)CC(=O)[C@H]3[C@@]2(C)CC1 ZINC000253498882 564132736 /nfs/dbraw/zinc/13/27/36/564132736.db2.gz AKWAWNXESMOSLR-AMQGKWNKSA-N 0 0 328.452 4.037 50 30 EIEARN N#Cc1ccc(NC(=O)OC2c3ccccc3-c3ccccc32)cn1 ZINC000299804024 564133158 /nfs/dbraw/zinc/13/31/58/564133158.db2.gz RUYBPAKEEWIBKC-UHFFFAOYSA-N 0 0 327.343 4.272 50 30 EIEARN COc1c(C)cccc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000000559977 564133407 /nfs/dbraw/zinc/13/34/07/564133407.db2.gz AUYVPMHIOWGUSF-NSHDSACASA-N 0 0 340.448 4.314 50 30 EIEARN N#Cc1ccccc1NC(=O)c1ccc(OCCc2ccccc2)cc1 ZINC000008564181 564134025 /nfs/dbraw/zinc/13/40/25/564134025.db2.gz PYQRYLVDUKZQNU-UHFFFAOYSA-N 0 0 342.398 4.432 50 30 EIEARN N#Cc1ccc(-c2ccc(C(=O)N3CC[C@@H]4CCCC[C@H]4C3)cc2)cn1 ZINC000426478930 564135072 /nfs/dbraw/zinc/13/50/72/564135072.db2.gz MSPSXXXIXNBILL-JXFKEZNVSA-N 0 0 345.446 4.273 50 30 EIEARN CC(C)(C)c1ccc(SCC(=O)NCCc2ccc(=O)[nH]c2)cc1 ZINC000328592054 564136744 /nfs/dbraw/zinc/13/67/44/564136744.db2.gz SGTGIOCUVXMVPH-UHFFFAOYSA-N 0 0 344.480 4.376 50 30 EIEARN C[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 ZINC000078870052 564137271 /nfs/dbraw/zinc/13/72/71/564137271.db2.gz GSINUIJLTIXRFJ-CQSZACIVSA-N 0 0 336.395 4.009 50 30 EIEARN N#C[C@@H](C(=O)c1cncc(-c2ccccc2)c1)c1nc2ccccc2[nH]1 ZINC000124419474 564138046 /nfs/dbraw/zinc/13/80/46/564138046.db2.gz GBUNPHYTWOELKF-KRWDZBQOSA-N 0 0 338.370 4.115 50 30 EIEARN CC(=O)Nc1cccc(NC(=O)N(C)[C@H](C)C2CCCCC2)c1C ZINC000330436969 564139074 /nfs/dbraw/zinc/13/90/74/564139074.db2.gz NMQISFPWBWXKBD-CQSZACIVSA-N 0 0 331.460 4.400 50 30 EIEARN CC(C)(CCC#N)CNc1ccc(Cc2nnc3ccccn32)cc1 ZINC000095428880 564140265 /nfs/dbraw/zinc/14/02/65/564140265.db2.gz ZWJSHBVBNFTFFG-UHFFFAOYSA-N 0 0 333.439 4.062 50 30 EIEARN N#CCCSc1ccccc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000095953457 564142400 /nfs/dbraw/zinc/14/24/00/564142400.db2.gz ZIWHRJLLKSSDTC-YIONKMFJSA-N 0 0 342.464 4.026 50 30 EIEARN Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1cccc(C#N)c1 ZINC000096133962 564145760 /nfs/dbraw/zinc/14/57/60/564145760.db2.gz JCIHSMWAOXXTBF-QXMHVHEDSA-N 0 0 327.387 4.257 50 30 EIEARN NC(=NOC/C=C\c1ccccc1)c1ccc(Oc2ccccc2)nc1 ZINC000096311193 564146738 /nfs/dbraw/zinc/14/67/38/564146738.db2.gz JPSFPUWYUGEONJ-YFHOEESVSA-N 0 0 345.402 4.224 50 30 EIEARN CCSc1ccccc1OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000096484710 564148651 /nfs/dbraw/zinc/14/86/51/564148651.db2.gz VEISBPJTTVWGDI-UHFFFAOYSA-N 0 0 337.404 4.299 50 30 EIEARN Cc1nc(C)c(C#N)c(SCc2cccc(Br)c2)n1 ZINC000029674008 564153727 /nfs/dbraw/zinc/15/37/27/564153727.db2.gz IVUKPCGWNTYXTI-UHFFFAOYSA-N 0 0 334.242 4.020 50 30 EIEARN FC(F)(F)c1cccc(/N=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000003084345 564155077 /nfs/dbraw/zinc/15/50/77/564155077.db2.gz CKAXYQCMHFSTBB-LPYMAVHISA-N 0 0 334.341 4.293 50 30 EIEARN N#Cc1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 ZINC000003224982 564156161 /nfs/dbraw/zinc/15/61/61/564156161.db2.gz RLIIQZRUQURHTC-UHFFFAOYSA-N 0 0 331.400 4.033 50 30 EIEARN N#Cc1ccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)cc1 ZINC000003350522 564157614 /nfs/dbraw/zinc/15/76/14/564157614.db2.gz JYVWCPQEXWDEML-UHFFFAOYSA-N 0 0 344.370 4.368 50 30 EIEARN N#Cc1cccc(NC(=O)CNc2ccccc2Oc2ccccc2)c1 ZINC000007975302 564161560 /nfs/dbraw/zinc/16/15/60/564161560.db2.gz FCCDVQQOVOEAEH-UHFFFAOYSA-N 0 0 343.386 4.401 50 30 EIEARN CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1 ZINC000066516714 564162675 /nfs/dbraw/zinc/16/26/75/564162675.db2.gz OLZVIHAMNGEJIJ-HMWXGYMHSA-N 0 0 332.359 4.116 50 30 EIEARN COc1ccccc1[C@@H]1C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000069528125 564170188 /nfs/dbraw/zinc/17/01/88/564170188.db2.gz IZMIGWRMFGHGNI-VQTJNVASSA-N 0 0 348.446 4.108 50 30 EIEARN Cc1nc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2C#N)cs1 ZINC000069657307 564171222 /nfs/dbraw/zinc/17/12/22/564171222.db2.gz MPTVLLDFWKQVOT-CYBMUJFWSA-N 0 0 347.443 4.481 50 30 EIEARN CC(C)Oc1ccccc1CC(=O)[C@@H](C#N)c1nc2ccccc2o1 ZINC000069922390 564172875 /nfs/dbraw/zinc/17/28/75/564172875.db2.gz CWTRJLKLDHABIE-OAHLLOKOSA-N 0 0 334.375 4.034 50 30 EIEARN N#C[C@@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccsc1 ZINC000071847774 564175999 /nfs/dbraw/zinc/17/59/99/564175999.db2.gz UJZVXEFKLUFGCL-ZIAGYGMSSA-N 0 0 338.354 4.165 50 30 EIEARN C=CCCCN(C)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000077447453 564176740 /nfs/dbraw/zinc/17/67/40/564176740.db2.gz CLLDFFPYQLRWOG-UHFFFAOYSA-N 0 0 325.412 4.091 50 30 EIEARN C=C(OC)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C ZINC000257355707 568419187 /nfs/dbraw/zinc/41/91/87/568419187.db2.gz CDDWHDDTCIDDRY-ICGSVKGVSA-N 0 0 342.479 4.330 50 30 EIEARN CC(C)c1ccc(CC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)cc1 ZINC000157759988 1023442436 /nfs/dbraw/zinc/44/24/36/1023442436.db2.gz YSCOUSFTOKTEMZ-UHFFFAOYSA-N 0 0 335.451 4.105 50 30 EIEARN CCCCCOc1cc(/C=C/C(=O)c2cc(C)on2)ccc1OC ZINC000328593163 1023590929 /nfs/dbraw/zinc/59/09/29/1023590929.db2.gz LZIVLBCGENMDON-VQHVLOKHSA-N 0 0 329.396 4.457 50 30 EIEARN Cc1c(/C=C/C(=O)c2ccc3c4c(cccc42)CC3)cc(C#N)n1C ZINC000024837065 1033290387 /nfs/dbraw/zinc/29/03/87/1033290387.db2.gz BYJAEFBUWXUGRY-PKNBQFBNSA-N 0 0 326.399 4.353 50 30 EIEARN O=C1c2ccccc2SC1=C1NC=C(c2ccc(Cl)cc2)O1 ZINC000100718727 1028110409 /nfs/dbraw/zinc/11/04/09/1028110409.db2.gz RISDJGVBBPEQQK-MSUUIHNZSA-N 0 0 327.792 4.416 50 30 EIEARN COc1ccc2c(c1)CCCC2=NOCc1ccc(-n2cccn2)cc1 ZINC000254293919 1037326576 /nfs/dbraw/zinc/32/65/76/1037326576.db2.gz WOSQXHSWPUBKSN-UHFFFAOYSA-N 0 0 347.418 4.138 50 30 EIEARN CC(=NOCCc1c(C)noc1C)c1nc2ccccc2n1C(F)F ZINC000254449423 1037960937 /nfs/dbraw/zinc/96/09/37/1037960937.db2.gz PPTLPVXOAMBOMK-UHFFFAOYSA-N 0 0 348.353 4.020 50 30 EIEARN FC(F)Oc1ccccc1C=NN=Cc1ccccc1OC(F)F ZINC000606445114 1043067726 /nfs/dbraw/zinc/06/77/26/1043067726.db2.gz WUKJRBAAXBDPDV-UHFFFAOYSA-N 0 0 340.276 4.342 50 30 EIEARN CSc1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)s1 ZINC000606443180 1043067984 /nfs/dbraw/zinc/06/79/84/1043067984.db2.gz RYPITXXLDKWHCJ-VURMDHGXSA-N 0 0 345.489 4.203 50 30 EIEARN O=C1Nc2ccccc2C1=NN=C1CCCC/C1=C/c1ccccc1 ZINC000585657621 1049500774 /nfs/dbraw/zinc/50/07/74/1049500774.db2.gz GVHRZKKBSZESSP-JMQXTFJNSA-N 0 0 329.403 4.441 50 30 EIEARN C=CCc1cc(C(=O)N(C)[C@H](C)c2nc(C)sc2C)ccc1OC ZINC000952961335 1049681521 /nfs/dbraw/zinc/68/15/21/1049681521.db2.gz CMMQFUMBCTYYEN-GFCCVEGCSA-N 0 0 344.480 4.330 50 30 EIEARN C#CCCC1(CCC(=O)N2CCC[C@]3(CCCc4ccccc43)C2)N=N1 ZINC000952882261 1049682313 /nfs/dbraw/zinc/68/23/13/1049682313.db2.gz SVAXIYJNOBSWRC-OAQYLSRUSA-N 0 0 349.478 4.239 50 30 EIEARN CN1N=C(c2c[nH]c3ccccc23)CS/C1=N\Cc1ccccc1 ZINC000102416263 1054861200 /nfs/dbraw/zinc/86/12/00/1054861200.db2.gz RTDPMFRUUVQJLB-VZCXRCSSSA-N 0 0 334.448 4.107 50 30 EIEARN CS/C(=N\C#N)S/C=C/C(=O)c1ccc(Br)cc1 ZINC000004697351 210250886 /nfs/dbraw/zinc/25/08/86/210250886.db2.gz VFLTZUUAFQUZAA-SIKOUFMJSA-N 0 0 341.255 4.079 50 30 EIEARN C=CCC1(CC=C)CCCCN1C(=O)CC(=O)Nc1ccccc1C ZINC000055344106 214310179 /nfs/dbraw/zinc/31/01/79/214310179.db2.gz NBYVVMAQJQPYDZ-UHFFFAOYSA-N 0 0 340.467 4.227 50 30 EIEARN CC(C)(C)c1cc(CN=Nc2cnccn2)cc(C(C)(C)C)c1O ZINC000004671199 210242769 /nfs/dbraw/zinc/24/27/69/210242769.db2.gz QVGZGEGDNGWUQQ-SSDVNMTOSA-N 0 0 326.444 4.223 50 30 EIEARN COc1ccc(/C=C2/CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000098054323 219074307 /nfs/dbraw/zinc/07/43/07/219074307.db2.gz DBSJMESCDIMEHE-QJWWANOYSA-N 0 0 335.359 4.433 50 30 EIEARN Cc1c(/C=C\C(=O)c2ccc3c4c(cccc42)CC3)cc(C#N)n1C ZINC000098054132 219074568 /nfs/dbraw/zinc/07/45/68/219074568.db2.gz BYJAEFBUWXUGRY-LUAWRHEFSA-N 0 0 326.399 4.353 50 30 EIEARN Cc1nc(-c2ccccc2)nc(NN=Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000004595683 210229675 /nfs/dbraw/zinc/22/96/75/210229675.db2.gz GBNFNSLFAMMCLY-UDWIEESQSA-N 0 0 347.378 4.115 50 30 EIEARN CO/N=C1/C(=O)c2ccccc2C1(c1ccccc1)c1ccccc1 ZINC000004566518 210222375 /nfs/dbraw/zinc/22/23/75/210222375.db2.gz YSQUENOGZHSCKD-LNVKXUELSA-N 0 0 327.383 4.220 50 30 EIEARN C=CCc1cc(C=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000004526035 210214784 /nfs/dbraw/zinc/21/47/84/210214784.db2.gz RUXIMDRSTWMTPJ-UHFFFAOYSA-N 0 0 341.363 4.114 50 30 EIEARN CC(C)N1c2ccccc2/C(=N\c2ccc(Br)cc2)C1=O ZINC000100085789 219090788 /nfs/dbraw/zinc/09/07/88/219090788.db2.gz USGQOGNAQRGTBN-KNTRCKAVSA-N 0 0 343.224 4.325 50 30 EIEARN CC(C)(C)C(=O)Oc1ccc(/N=C/c2ccc3c(c2)OCO3)cc1 ZINC000100073265 219090845 /nfs/dbraw/zinc/09/08/45/219090845.db2.gz KDTHURYXXOLEGX-RGVLZGJSSA-N 0 0 325.364 4.117 50 30 EIEARN COc1ccccc1/N=C/c1nc(-c2ccccc2)oc1OC(C)=O ZINC000100290632 219096077 /nfs/dbraw/zinc/09/60/77/219096077.db2.gz BYASTERBUAMEAY-UDWIEESQSA-N 0 0 336.347 4.026 50 30 EIEARN COc1ccc(C(=CNc2ccc(C)c(C)c2)C(C)=O)cc1OC ZINC000100301546 219096203 /nfs/dbraw/zinc/09/62/03/219096203.db2.gz DCQLGJARRHVZIE-PDGQHHTCSA-N 0 0 325.408 4.363 50 30 EIEARN CSC1=N/C(=C\c2c(C)nn(-c3ccccc3)c2Cl)C(=O)S1 ZINC000004502673 210206415 /nfs/dbraw/zinc/20/64/15/210206415.db2.gz ZGIYDIWQRAEOJF-WQLSENKSSA-N 0 0 349.868 4.167 50 30 EIEARN CCCCCCCn1c2ccccc2n(CC(=O)c2ccco2)c1=N ZINC000100559272 219102075 /nfs/dbraw/zinc/10/20/75/219102075.db2.gz GAIRREYVAQANTA-UHFFFAOYSA-N 0 0 339.439 4.369 50 30 EIEARN C=CCN1C(=O)/C(=C\c2ccc(O)cc2)S/C1=N/c1ccccc1 ZINC000004466315 210195182 /nfs/dbraw/zinc/19/51/82/210195182.db2.gz RSNJMOWLEPNASJ-SXXHPKIYSA-N 0 0 336.416 4.182 50 30 EIEARN O=C(C(=CNc1ccc(Cl)cc1)C(=O)C(F)(F)F)c1ccco1 ZINC000100862336 219109525 /nfs/dbraw/zinc/10/95/25/219109525.db2.gz VTORTCKHQARDSE-FLIBITNWSA-N 0 0 343.688 4.243 50 30 EIEARN C=CCN1C[C@H](c2nc3ccccc3n2[C@@H](C)c2ccccc2)CC1=O ZINC000004385976 210184314 /nfs/dbraw/zinc/18/43/14/210184314.db2.gz PDRSNNPCDJAQDP-FUHWJXTLSA-N 0 0 345.446 4.148 50 30 EIEARN CCCn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccc(C#N)cc1 ZINC000101061483 219115088 /nfs/dbraw/zinc/11/50/88/219115088.db2.gz PYZNKXVCFGQTRE-XDOYNYLZSA-N 0 0 349.459 4.342 50 30 EIEARN O=C1C=C(NC2Cc3ccccc3C2)C[C@H](c2cccc(Cl)c2)C1 ZINC000101172532 219118592 /nfs/dbraw/zinc/11/85/92/219118592.db2.gz FEFSOZVGMIHRAD-KRWDZBQOSA-N 0 0 337.850 4.427 50 30 EIEARN NC(=NOCc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000004322341 210170230 /nfs/dbraw/zinc/17/02/30/210170230.db2.gz ALLLQDGFOXUDBW-UHFFFAOYSA-N 0 0 329.614 4.484 50 30 EIEARN CCN(CC)c1ccc(/C=N/c2ccc(OC)cc2OC)c(O)c1 ZINC000004131999 210128216 /nfs/dbraw/zinc/12/82/16/210128216.db2.gz NDUVERHDFWMNNP-DEDYPNTBSA-N 0 0 328.412 4.006 50 30 EIEARN Cn1c(Cl)c(/C=N/OC(=O)c2ccc(F)cc2)c2ccccc21 ZINC000004051494 210109194 /nfs/dbraw/zinc/10/91/94/210109194.db2.gz CYGZXTUKOZQJGZ-KEBDBYFISA-N 0 0 330.746 4.162 50 30 EIEARN Cc1ccc(CO/N=C/c2cc3c(cc2Br)OCO3)cc1 ZINC000004014014 210100259 /nfs/dbraw/zinc/10/02/59/210100259.db2.gz KVLZTJBXWRUNKR-QGMBQPNBSA-N 0 0 348.196 4.037 50 30 EIEARN CC(=O)C1=NN(c2ccccc2)[C@H](C#CC(C)(C)C)N1c1ccccc1 ZINC000003672759 210073731 /nfs/dbraw/zinc/07/37/31/210073731.db2.gz SRDTZRAXBPUPEP-HXUWFJFHSA-N 0 0 345.446 4.291 50 30 EIEARN CCc1ccc(/N=c2\cc(C)c(C#N)c3[nH]c4ccccc4n32)cc1 ZINC000102491765 219206571 /nfs/dbraw/zinc/20/65/71/219206571.db2.gz MBFLRAOFTHFTEJ-BSYVCWPDSA-N 0 0 326.403 4.396 50 30 EIEARN N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1F ZINC000003568177 210056772 /nfs/dbraw/zinc/05/67/72/210056772.db2.gz JKFXHDCGRSJMPT-UHFFFAOYSA-N 0 0 337.104 4.160 50 30 EIEARN Cc1nc(C)c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 ZINC000066802412 215080720 /nfs/dbraw/zinc/08/07/20/215080720.db2.gz GEBPMMWJLUHANK-JTQLQIEISA-N 0 0 331.466 4.407 50 30 EIEARN O=[N+]([O-])c1cccc(/C=N/OCc2ccc(Cl)cc2Cl)c1 ZINC000003312370 210004562 /nfs/dbraw/zinc/00/45/62/210004562.db2.gz ZIFVCSOHVFNVOL-CAOOACKPSA-N 0 0 325.151 4.452 50 30 EIEARN CC[C@@H]1c2[nH]cnc2CCN1Cc1ccc(-c2ccccc2C#N)o1 ZINC000067771806 215209094 /nfs/dbraw/zinc/20/90/94/215209094.db2.gz SLUZAVSIPVCVMI-GOSISDBHSA-N 0 0 332.407 4.051 50 30 EIEARN COc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 ZINC000002610382 209873180 /nfs/dbraw/zinc/87/31/80/209873180.db2.gz AQLBHZRMIYLLJF-LLVKDONJSA-N 0 0 326.421 4.005 50 30 EIEARN S=C1N=NC(c2cccc(Cl)c2)N1N=Cc1ccccc1Cl ZINC000002509407 209860426 /nfs/dbraw/zinc/86/04/26/209860426.db2.gz BPEAGHCXEBBQKS-GIJQJNRQSA-N 0 0 349.246 4.423 50 30 EIEARN Cc1nc2c3ccccc3[nH]c2c(=O)n1/N=C/C1=C[C@H]2C[C@@H](C1)C2(C)C ZINC000002121646 209822453 /nfs/dbraw/zinc/82/24/53/209822453.db2.gz XCDLXQVGAYUAQQ-RAVCNUTFSA-N 0 0 346.434 4.013 50 30 biogenic EIEARN CO[C@H](C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1 ZINC000069581110 215483533 /nfs/dbraw/zinc/48/35/33/215483533.db2.gz KCIHZVZIDNFLIR-KSSFIOAISA-N 0 0 340.448 4.265 50 30 EIEARN C=C(C)CSc1nnc2c3c4c(sc3nc(C)n12)CCCC4 ZINC000001245578 209720248 /nfs/dbraw/zinc/72/02/48/209720248.db2.gz JHGLYMGQKUGOBA-UHFFFAOYSA-N 0 0 330.482 4.194 50 30 EIEARN N#Cc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccccc2F)cc1 ZINC000036358390 213089155 /nfs/dbraw/zinc/08/91/55/213089155.db2.gz MUGPUNAWITWBIB-CQSZACIVSA-N 0 0 332.338 4.007 50 30 EIEARN C[C@H]1CCC[C@@H](CCC#N)C1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000036043839 213058403 /nfs/dbraw/zinc/05/84/03/213058403.db2.gz NPFNXRULYWTWIR-WYSVUXPWSA-N 0 0 345.359 4.011 50 30 EIEARN CN(C)c1ccnc(Nc2cc(C(F)(F)F)ccc2Cl)c1C#N ZINC000035999538 213054327 /nfs/dbraw/zinc/05/43/27/213054327.db2.gz IXPXKKOGTXGUHZ-UHFFFAOYSA-N 0 0 340.736 4.435 50 30 EIEARN C=CCN(C(=O)c1ccc(-c2cccc(OC)c2)nc1)C1CCCC1 ZINC000035925297 213051427 /nfs/dbraw/zinc/05/14/27/213051427.db2.gz IRZOFNWPGKWGIH-UHFFFAOYSA-N 0 0 336.435 4.328 50 30 EIEARN CCCCOC(=O)CSc1nc(-c2ccc(C)cc2)ccc1C#N ZINC000033011122 212887568 /nfs/dbraw/zinc/88/75/68/212887568.db2.gz QOLWQVUUSNPVRO-UHFFFAOYSA-N 0 0 340.448 4.364 50 30 EIEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000000282781 209517334 /nfs/dbraw/zinc/51/73/34/209517334.db2.gz SBZGVQSVGQENLO-UHFFFAOYSA-N 0 0 326.421 4.150 50 30 EIEARN Cc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc3ccccc3n21 ZINC000000222678 209494656 /nfs/dbraw/zinc/49/46/56/209494656.db2.gz SESDWBOJAFDTMI-HXUWFJFHSA-N 0 0 329.403 4.367 50 30 EIEARN Cc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2nc3ccccc3n21 ZINC000000222674 209494265 /nfs/dbraw/zinc/49/42/65/209494265.db2.gz SESDWBOJAFDTMI-FQEVSTJZSA-N 0 0 329.403 4.367 50 30 EIEARN O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2 ZINC000000106667 209424069 /nfs/dbraw/zinc/42/40/69/209424069.db2.gz YRROALCVPAGLLZ-LJQANCHMSA-N 0 0 335.363 4.181 50 30 EIEARN O=C1c2ccccc2S/C1=C\c1cc(Br)ccc1O ZINC000000058928 209394030 /nfs/dbraw/zinc/39/40/30/209394030.db2.gz KEDNLJYCAVEKIQ-ZSOIEALJSA-N 0 0 333.206 4.484 50 30 EIEARN O=C(/N=C1/C=C/C(=N/C(=O)c2ccccc2)C(Cl)=C1)c1ccccc1 ZINC000000055555 209393333 /nfs/dbraw/zinc/39/33/33/209393333.db2.gz CKHNTRZDQIJSSO-NEEBWFLQSA-N 0 0 348.789 4.242 50 30 EIEARN CC(C)(C)C(O)=C1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 ZINC000000047168 209389562 /nfs/dbraw/zinc/38/95/62/209389562.db2.gz YILAAQFYBWFNFI-KRWDZBQOSA-N 0 0 335.403 4.202 50 30 EIEARN Cc1ccccc1[C@@H](Sc1ncc(C#N)c(N)n1)c1ccccc1 ZINC000023106289 212347731 /nfs/dbraw/zinc/34/77/31/212347731.db2.gz VAYCZCHOKJWVDM-KRWDZBQOSA-N 0 0 332.432 4.121 50 30 EIEARN N#Cc1c(F)cccc1NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000022978064 212340606 /nfs/dbraw/zinc/34/06/06/212340606.db2.gz RNGOYWJQSATDKT-UHFFFAOYSA-N 0 0 335.338 4.155 50 30 EIEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(F)(F)F)cc1)CO2 ZINC000022958073 212339994 /nfs/dbraw/zinc/33/99/94/212339994.db2.gz DNIIQZNFDCMWLD-XYOKQWHBSA-N 0 0 334.293 4.373 50 30 EIEARN C=CCCC(=O)Nc1sc2c(c1C(=O)OCC)Cc1ccccc1-2 ZINC000022639225 212313449 /nfs/dbraw/zinc/31/34/49/212313449.db2.gz MOOGBFGKBLFFIL-UHFFFAOYSA-N 0 0 341.432 4.401 50 30 EIEARN N#Cc1c(NCc2cccnc2)nc(-c2ccco2)c2c1CCCC2 ZINC000020573497 212148873 /nfs/dbraw/zinc/14/88/73/212148873.db2.gz GSEMJTPZVBKMPT-UHFFFAOYSA-N 0 0 330.391 4.099 50 30 EIEARN C=CCn1c2ccccc2nc1CN1CCc2[nH]nc([C@H](C)CC)c2C1 ZINC000020294159 212117221 /nfs/dbraw/zinc/11/72/21/212117221.db2.gz DDSLYTZBLGPKEL-OAHLLOKOSA-N 0 0 349.482 4.017 50 30 EIEARN C/C(=N/N1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000019850217 212076804 /nfs/dbraw/zinc/07/68/04/212076804.db2.gz ZCSXUGSPSXIMLQ-CLCOLTQESA-N 0 0 343.474 4.382 50 30 EIEARN Clc1cccc(/C=N/N2CCN(Cc3ccccc3)CC2)c1Cl ZINC000019771320 212063301 /nfs/dbraw/zinc/06/33/01/212063301.db2.gz PAQIRZCACKYGCA-FYJGNVAPSA-N 0 0 348.277 4.145 50 30 EIEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000019772282 212063883 /nfs/dbraw/zinc/06/38/83/212063883.db2.gz DIAOOWNEGNTNMG-BBATYDOGSA-N 0 0 345.464 4.058 50 30 EIEARN N#Cc1cnc(NCc2ccccc2)c(C#N)c1Nc1ccccc1 ZINC000019339002 212017790 /nfs/dbraw/zinc/01/77/90/212017790.db2.gz YWSKGMFWPPAMOM-UHFFFAOYSA-N 0 0 325.375 4.181 50 30 EIEARN FC1(F)C(F)(F)C(F)(F)[C@](F)(Cl)[C@@](F)(Cl)C1(F)F ZINC000082204980 217483142 /nfs/dbraw/zinc/48/31/42/217483142.db2.gz IESCLXSTSQIECY-LWMBPPNESA-N 0 0 332.952 4.350 50 30 EIEARN N#Cc1ccccc1-c1ccc(CSc2nncn2C2CC2)cc1 ZINC000014189827 211706249 /nfs/dbraw/zinc/70/62/49/211706249.db2.gz FVYCUJHGFXTFRY-UHFFFAOYSA-N 0 0 332.432 4.444 50 30 EIEARN Cc1ccc(-c2ccc(C#N)c(Sc3ncccc3[N+](=O)[O-])n2)cc1 ZINC000013575393 211583430 /nfs/dbraw/zinc/58/34/30/211583430.db2.gz FNQSUJOWOGLEIS-UHFFFAOYSA-N 0 0 348.387 4.383 50 30 EIEARN COc1cccc(NC(=S)N[C@@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000013519570 211571342 /nfs/dbraw/zinc/57/13/42/211571342.db2.gz ZBCDYAWEIJXMSR-LBPRGKRZSA-N 0 0 346.452 4.171 50 30 EIEARN O=C1c2ccccc2OC/C1=C\c1ccc(F)c(Br)c1 ZINC000013140924 211528409 /nfs/dbraw/zinc/52/84/09/211528409.db2.gz OLXSWTNUZYKYDB-YRNVUSSQSA-N 0 0 333.156 4.247 50 30 EIEARN N#Cc1cccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(F)c2)c1 ZINC000012752847 211445523 /nfs/dbraw/zinc/44/55/23/211445523.db2.gz RIXSSLWOGZZGKW-FQEVSTJZSA-N 0 0 343.361 4.468 50 30 EIEARN O=C(Nc1ccccc1)c1ccccc1/N=C1/C(=O)Nc2ccccc21 ZINC000012376736 211359793 /nfs/dbraw/zinc/35/97/93/211359793.db2.gz AXJIWTAREGNWPI-UHFFFAOYSA-N 0 0 341.370 4.012 50 30 EIEARN C/C(=N/OC(=O)c1ccccc1Br)c1ccc(C)cc1 ZINC000012403932 211369702 /nfs/dbraw/zinc/36/97/02/211369702.db2.gz DZXHCQWXNXWLCK-PDGQHHTCSA-N 0 0 332.197 4.339 50 30 EIEARN C/N=C1/S/C(=C/c2ccc(-c3cccc(Cl)c3C)o2)C(=O)N1C ZINC000012372476 211358135 /nfs/dbraw/zinc/35/81/35/211358135.db2.gz HHOVNVLEOMQKNV-NGCQHBKASA-N 0 0 346.839 4.440 50 30 EIEARN N#Cc1ccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 ZINC000011524026 211221809 /nfs/dbraw/zinc/22/18/09/211221809.db2.gz NLFKEZXHSSDSLU-UHFFFAOYSA-N 0 0 348.431 4.020 50 30 EIEARN N#Cc1ccc(/C=C/C(=O)c2ccc(F)c(Br)c2)cc1 ZINC000011335377 211212030 /nfs/dbraw/zinc/21/20/30/211212030.db2.gz XYNLEYYZBWERAX-VMPITWQZSA-N 0 0 330.156 4.356 50 30 EIEARN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000092868510 218178055 /nfs/dbraw/zinc/17/80/55/218178055.db2.gz JZSREUPQQSNTIZ-KRWDZBQOSA-N 0 0 337.427 4.047 50 30 EIEARN C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)N1CCCCCC1 ZINC000009990674 211139849 /nfs/dbraw/zinc/13/98/49/211139849.db2.gz SMHDKYAPBDXCEF-KRWDZBQOSA-N 0 0 348.446 4.395 50 30 EIEARN C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)N1CCCCCC1 ZINC000009990696 211139339 /nfs/dbraw/zinc/13/93/39/211139339.db2.gz SMHDKYAPBDXCEF-QGZVFWFLSA-N 0 0 348.446 4.395 50 30 EIEARN CCn1c(C)c(C(=O)CSc2ncccc2C#N)c2ccccc21 ZINC000010007794 211139119 /nfs/dbraw/zinc/13/91/19/211139119.db2.gz OOSPXCBXWUYNQN-UHFFFAOYSA-N 0 0 335.432 4.211 50 30 EIEARN Cc1nnc(NCc2cccc(Oc3ccccc3)c2)c(C#N)c1C ZINC000095356583 218290921 /nfs/dbraw/zinc/29/09/21/218290921.db2.gz BMFIGQCSPIJFPU-UHFFFAOYSA-N 0 0 330.391 4.370 50 30 EIEARN CC(=O)c1cc(C#N)c(SCc2cc(-c3ccccc3)on2)nc1C ZINC000009053839 211036319 /nfs/dbraw/zinc/03/63/19/211036319.db2.gz ZGGUENZHSLKBKV-UHFFFAOYSA-N 0 0 349.415 4.412 50 30 EIEARN Cc1cccc(-n2c(N)c(C#N)c3c(c2=S)CO[C@H](C(C)C)C3)c1 ZINC000006719145 210689572 /nfs/dbraw/zinc/68/95/72/210689572.db2.gz AUUBXSZMCOYJNE-KRWDZBQOSA-N 0 0 339.464 4.066 50 30 EIEARN CSc1ccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000006605689 210661001 /nfs/dbraw/zinc/66/10/01/210661001.db2.gz PRZCNXVSBPIXQP-AWNIVKPZSA-N 0 0 337.444 4.431 50 30 EIEARN N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NCCc1ccccc1 ZINC000096346550 218745567 /nfs/dbraw/zinc/74/55/67/218745567.db2.gz AHITXPXITHQFPL-QZTJIDSGSA-N 0 0 329.403 4.472 50 30 EIEARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)c2ccc(F)cc2)c1C#N ZINC000005921670 210558791 /nfs/dbraw/zinc/55/87/91/210558791.db2.gz 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CNC(=S)N(CCc1c(C)[nH]c2ccc(F)cc21)Cc1ccco1 ZINC000000429602 518571879 /nfs/dbraw/zinc/57/18/79/518571879.db2.gz ZPYVXDNRWKYWBE-UHFFFAOYSA-N 0 0 345.443 4.169 50 30 EIEARN C=CCN(Cc1c(Cl)nc2sccn12)Cc1cccc(OC)c1 ZINC000055099864 518775795 /nfs/dbraw/zinc/77/57/95/518775795.db2.gz IVQFQOTZNFNRSH-UHFFFAOYSA-N 0 0 347.871 4.246 50 30 EIEARN C=CCNC(=S)NCC[C@H]1[C@H](c2c(C)[nH]c3ccccc32)C1(C)C ZINC000003764160 518949990 /nfs/dbraw/zinc/94/99/90/518949990.db2.gz GOXUGZPZDXDYSW-MAUKXSAKSA-N 0 0 341.524 4.256 50 30 EIEARN C=CC[C@@H](C(=O)N1CCC(c2nccs2)CC1)c1ccccc1 ZINC000241926488 519094275 /nfs/dbraw/zinc/09/42/75/519094275.db2.gz UGOWOBHVUPCNDN-QGZVFWFLSA-N 0 0 326.465 4.209 50 30 EIEARN C=CCc1c(C)c2ccc(OCC(=O)c3ccccc3)cc2oc1=O ZINC000000247530 519121664 /nfs/dbraw/zinc/12/16/64/519121664.db2.gz BHCSMMBGTZJOKB-UHFFFAOYSA-N 0 0 334.371 4.092 50 30 EIEARN C=CCn1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C ZINC000003307606 519168703 /nfs/dbraw/zinc/16/87/03/519168703.db2.gz QQXQDPNDCHIKLB-UHFFFAOYSA-N 0 0 342.464 4.224 50 30 EIEARN C=CCn1c(SCc2cc(C)ccc2C)nnc1-c1cccnc1 ZINC000016755574 519238188 /nfs/dbraw/zinc/23/81/88/519238188.db2.gz WHYAJOGXXFMLBE-UHFFFAOYSA-N 0 0 336.464 4.435 50 30 EIEARN C=CCn1c(SCc2ccccc2Cl)nnc1-c1ccccn1 ZINC000000531610 519244841 /nfs/dbraw/zinc/24/48/41/519244841.db2.gz FZOXMUGXADRFAX-UHFFFAOYSA-N 0 0 342.855 4.472 50 30 EIEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CCC[C@]4(C)CC[C@H]32)C1 ZINC000254405238 519757959 /nfs/dbraw/zinc/75/79/59/519757959.db2.gz SDCOFNKFMXLZIF-BZFRNLKRSA-N 0 0 330.468 4.450 50 30 EIEARN CC(C)c1nnc(SCc2ccc(C#N)cc2)n1Cc1ccco1 ZINC000014093973 519891261 /nfs/dbraw/zinc/89/12/61/519891261.db2.gz VGBOWKVWMKCXFY-UHFFFAOYSA-N 0 0 338.436 4.207 50 30 EIEARN CCCCCCCn1nnc2sc(-c3ccccc3)cc2c1=O ZINC000001785057 520074041 /nfs/dbraw/zinc/07/40/41/520074041.db2.gz XHIRASNMGYRHDA-UHFFFAOYSA-N 0 0 327.453 4.490 50 30 EIEARN CCOc1ccc(F)cc1C(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000026534184 521019623 /nfs/dbraw/zinc/01/96/23/521019623.db2.gz 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N#C[C@@H](C(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccn1 ZINC000006831145 526490684 /nfs/dbraw/zinc/49/06/84/526490684.db2.gz ZNOCTDHEOKMFFL-CYBMUJFWSA-N 0 0 349.217 4.424 50 30 EIEARN N#C[C@H](C(=O)CCCc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1 ZINC000041497905 526504525 /nfs/dbraw/zinc/50/45/25/526504525.db2.gz OLPJQMBPKJBCQU-MRXNPFEDSA-N 0 0 342.402 4.243 50 30 EIEARN C#CCSc1cccc(C(=O)Nc2cnn(-c3ccccc3)c2C)c1 ZINC000129163429 527152198 /nfs/dbraw/zinc/15/21/98/527152198.db2.gz KRFLRJXPQFZNBX-UHFFFAOYSA-N 0 0 347.443 4.158 50 30 EIEARN Cn1nccc1C(=O)/C=C\c1ccc(COc2ccc(Cl)cc2)o1 ZINC000006925476 527592346 /nfs/dbraw/zinc/59/23/46/527592346.db2.gz LERKYBMZKPEIED-HJWRWDBZSA-N 0 0 342.782 4.142 50 30 EIEARN O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(O)cc1 ZINC000005765665 527604269 /nfs/dbraw/zinc/60/42/69/527604269.db2.gz DZNGRAJCFPPXNJ-CSKARUKUSA-N 0 0 335.315 4.457 50 30 EIEARN O=C(/C=C/c1ccc(/C=C\C(=O)c2ccccn2)cc1)c1ccccn1 ZINC000025692105 527605020 /nfs/dbraw/zinc/60/50/20/527605020.db2.gz 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COc1c(Cl)cc(Cl)cc1CN=Nc1ccccc1[N+](=O)[O-] ZINC000013512599 563700324 /nfs/dbraw/zinc/70/03/24/563700324.db2.gz IPHQHJKUSQPYHZ-IUXPMGMMSA-N 0 0 340.166 4.356 50 30 EIEARN CC1=NN(CCC#N)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000013915018 563729038 /nfs/dbraw/zinc/72/90/38/563729038.db2.gz PLMVROSTQGWMJS-WJDWOHSUSA-N 0 0 339.782 4.115 50 30 EIEARN c1ccc(CN=C2NC(=NCc3ccccc3)c3ccccc32)cc1 ZINC000015401603 563784211 /nfs/dbraw/zinc/78/42/11/563784211.db2.gz QOOCYXKCZORKRI-UHFFFAOYSA-N 0 0 325.415 4.183 50 30 EIEARN CC[C@@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000032904669 563790629 /nfs/dbraw/zinc/79/06/29/563790629.db2.gz OUJHAKIEUGJHBL-GOSISDBHSA-N 0 0 345.364 4.367 50 30 EIEARN CC(C)c1ccc(S(=O)(=O)N/N=C2/C[C@H](C)CC(C)(C)C2)cc1 ZINC000017070785 563833161 /nfs/dbraw/zinc/83/31/61/563833161.db2.gz QGFBPKHFDJDZKP-DNQHLSNTSA-N 0 0 336.501 4.291 50 30 EIEARN CCOc1ccccc1/C=C1/S/C(=N/c2ccccc2)N(C)C1=O ZINC000017155000 563838838 /nfs/dbraw/zinc/83/88/38/563838838.db2.gz 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/nfs/dbraw/zinc/93/22/18/563932218.db2.gz FGQHBSIFTWRGNR-UHFFFAOYSA-N 0 0 342.826 4.345 50 30 EIEARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000013735288 563932572 /nfs/dbraw/zinc/93/25/72/563932572.db2.gz BNLBUXDBQSTDRZ-QGZVFWFLSA-N 0 0 338.407 4.192 50 30 EIEARN Fc1c(F)c(F)c(OC(F)(F)[C@H](F)C(F)(F)F)c(F)c1F ZINC000095686655 563977620 /nfs/dbraw/zinc/97/76/20/563977620.db2.gz FTDFREVZBJMTTE-SSDOTTSWSA-N 0 0 334.084 4.254 50 30 EIEARN Cc1ccc(CSc2nncn2/N=C/c2cccc(Cl)c2)cc1 ZINC000000147655 563987270 /nfs/dbraw/zinc/98/72/70/563987270.db2.gz YKMGGOUMRXPHPD-KEBDBYFISA-N 0 0 342.855 4.414 50 30 EIEARN N#Cc1c(N)n(-c2cccc3ccccc32)c2nc3ccccc3nc12 ZINC000000199098 563988292 /nfs/dbraw/zinc/98/82/92/563988292.db2.gz NKFPXHMZQQPIKW-UHFFFAOYSA-N 0 0 335.370 4.181 50 30 EIEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cc(C)ccc2C)C1 ZINC000000252145 563989506 /nfs/dbraw/zinc/98/95/06/563989506.db2.gz ABPYFAMDHXTVCZ-KRWDZBQOSA-N 0 0 345.446 4.360 50 30 EIEARN Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/C(C)(C)C)cc1 ZINC000000272087 563990040 /nfs/dbraw/zinc/99/00/40/563990040.db2.gz SKDGBLREHOWRGE-CPNJWEJPSA-N 0 0 330.453 4.013 50 30 EIEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=S)/N=C/N(C)C ZINC000100256449 563991930 /nfs/dbraw/zinc/99/19/30/563991930.db2.gz IIKTWUWORHTRKZ-REZTVBANSA-N 0 0 342.251 4.222 50 30 EIEARN Cc1cc(Oc2ccccc2I)ccc1C#N ZINC000132591260 563996431 /nfs/dbraw/zinc/99/64/31/563996431.db2.gz AWYUHDFZXPQJRW-UHFFFAOYSA-N 0 0 335.144 4.264 50 30 EIEARN C[C@H](CCC#N)Sc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000252485781 563997771 /nfs/dbraw/zinc/99/77/71/563997771.db2.gz HEARBJJOQWDSPA-OAHLLOKOSA-N 0 0 349.463 4.173 50 30 EIEARN Cc1csc(-c2cccc(C(=O)[C@@H](C#N)c3nc(C)cc(C)n3)c2)n1 ZINC000078869142 564000881 /nfs/dbraw/zinc/00/08/81/564000881.db2.gz KFXTWMVYKPZYBN-MRXNPFEDSA-N 0 0 348.431 4.015 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1cccs1 ZINC000206590034 564003062 /nfs/dbraw/zinc/00/30/62/564003062.db2.gz VLNWVYZKSGDORR-VQIMIIECSA-N 0 0 340.444 4.376 50 30 EIEARN COc1ccc2ccc(O[C@@H](C)C(=O)Nc3cccc(C#N)c3)cc2c1 ZINC000005365681 564003096 /nfs/dbraw/zinc/00/30/96/564003096.db2.gz YVZDKWHPBWCMAX-AWEZNQCLSA-N 0 0 346.386 4.126 50 30 EIEARN CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(F)cc2)S1 ZINC000005376991 564003236 /nfs/dbraw/zinc/00/32/36/564003236.db2.gz CPCHEBQLWJWTFI-WJDWOHSUSA-N 0 0 342.395 4.116 50 30 EIEARN N#Cc1ccc(-c2ccc(OCC(=O)N3CCCCCC3)cc2)cc1 ZINC000005407049 564003734 /nfs/dbraw/zinc/00/37/34/564003734.db2.gz LPMLJGXOHLZSDV-UHFFFAOYSA-N 0 0 334.419 4.007 50 30 EIEARN N#Cc1cccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)c1 ZINC000005498135 564004730 /nfs/dbraw/zinc/00/47/30/564004730.db2.gz VQHLDSWPIACEPK-UHFFFAOYSA-N 0 0 341.370 4.210 50 30 EIEARN CCOc1ccc2ncc(C#N)c(Nc3ccc(OC)c(OC)c3)c2c1 ZINC000017315668 564011646 /nfs/dbraw/zinc/01/16/46/564011646.db2.gz JLKHJXZLNLWZBV-UHFFFAOYSA-N 0 0 349.390 4.266 50 30 EIEARN N#CC1(C#N)[C@H](Cc2ccccc2)[C@@H]1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000017724779 564012330 /nfs/dbraw/zinc/01/23/30/564012330.db2.gz SMLBHPLJVOMVNE-PHMMFBKASA-N 0 0 344.458 4.294 50 30 EIEARN N#CCC[C@H](C#N)CN1CCC(c2ccccc2Br)CC1 ZINC000189809878 564016490 /nfs/dbraw/zinc/01/64/90/564016490.db2.gz RKGAGQZDJVBQGD-CQSZACIVSA-N 0 0 346.272 4.072 50 30 EIEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000102230043 564019949 /nfs/dbraw/zinc/01/99/49/564019949.db2.gz KSPZYVUYVLWCJS-DEDYPNTBSA-N 0 0 344.414 4.022 50 30 EIEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCc1ccccn1 ZINC000000521158 564021004 /nfs/dbraw/zinc/02/10/04/564021004.db2.gz ULJWOUOGGFILBI-UHFFFAOYSA-N 0 0 341.418 4.237 50 30 EIEARN CC(C)c1ccc(/C=N/n2cnc3c4cc(F)ccc4[nH]c3c2=O)cc1 ZINC000000544141 564022645 /nfs/dbraw/zinc/02/26/45/564022645.db2.gz XYFYQOPLJMPQQY-AUEPDCJTSA-N 0 0 348.381 4.023 50 30 EIEARN O=C(C(=CNc1ccccc1Cl)C(=O)C(F)(F)F)c1ccco1 ZINC000103655405 564022953 /nfs/dbraw/zinc/02/29/53/564022953.db2.gz DKDGITRUWMTWMR-CMDGGOBGSA-N 0 0 343.688 4.243 50 30 EIEARN C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCCC1 ZINC000000551343 564022977 /nfs/dbraw/zinc/02/29/77/564022977.db2.gz SFHHOLQUSYZSQG-UHFFFAOYSA-N 0 0 330.435 4.386 50 30 EIEARN C[C@@H]1CCC[C@@H](Nc2c(-c3cccs3)nc3c(C#N)c[nH]n32)[C@H]1C ZINC000106886735 564026718 /nfs/dbraw/zinc/02/67/18/564026718.db2.gz RMGQXJJBXSYZCU-MBNYWOFBSA-N 0 0 339.468 4.499 50 30 EIEARN C[C@H](C#N)CN(C)Cn1nc(-c2ccc(C(C)(C)C)cc2)oc1=S ZINC000048340449 564031187 /nfs/dbraw/zinc/03/11/87/564031187.db2.gz ASFGQSXPABDPBX-CYBMUJFWSA-N 0 0 344.484 4.219 50 30 EIEARN C[C@@H](C#N)CN(C)Cn1nc(-c2ccc(C(C)(C)C)cc2)oc1=S ZINC000048340451 564031192 /nfs/dbraw/zinc/03/11/92/564031192.db2.gz ASFGQSXPABDPBX-ZDUSSCGKSA-N 0 0 344.484 4.219 50 30 EIEARN C=CCOc1ccc(Br)cc1C(=S)N1CCCCC1 ZINC000002866381 564035994 /nfs/dbraw/zinc/03/59/94/564035994.db2.gz DULWQQYMQQALDV-UHFFFAOYSA-N 0 0 340.286 4.175 50 30 EIEARN C/C(=N\N=C1/SCC(=O)N1c1ccccc1)c1ccc(Cl)cc1 ZINC000033246650 564036516 /nfs/dbraw/zinc/03/65/16/564036516.db2.gz MPXIZHSWSKYGHC-PRAGTUARSA-N 0 0 343.839 4.200 50 30 EIEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2Cl)NC(=S)N1 ZINC000005782272 564051202 /nfs/dbraw/zinc/05/12/02/564051202.db2.gz NJQLAPGWKFYXFR-MRXNPFEDSA-N 0 0 342.851 4.016 50 30 EIEARN Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000001054238 564054222 /nfs/dbraw/zinc/05/42/22/564054222.db2.gz ZOFSDBUGBMYXCS-UHFFFAOYSA-N 0 0 349.415 4.324 50 30 EIEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000257357402 564055936 /nfs/dbraw/zinc/05/59/36/564055936.db2.gz NUSUWEUUEXDJDY-CXFZNXBCSA-N 0 0 342.479 4.149 50 30 EIEARN COc1cc(C2(C#N)CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000263624050 564056466 /nfs/dbraw/zinc/05/64/66/564056466.db2.gz MZDFBIZZMXIAJV-UHFFFAOYSA-N 0 0 338.363 4.128 50 30 EIEARN N#CC1(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CCC1 ZINC000063477228 564057594 /nfs/dbraw/zinc/05/75/94/564057594.db2.gz KBKZOVWSDBFTDB-UHFFFAOYSA-N 0 0 334.297 4.141 50 30 EIEARN N#CC1(NC(=O)CSc2c(Cl)cccc2Cl)CCCCC1 ZINC000012568998 564059830 /nfs/dbraw/zinc/05/98/30/564059830.db2.gz APPHJIBHBHSRJB-UHFFFAOYSA-N 0 0 343.279 4.428 50 30 EIEARN Cc1ccc(Cn2cccc2C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000001265092 564062801 /nfs/dbraw/zinc/06/28/01/564062801.db2.gz BHJBJBAXWIUMIU-FYJGNVAPSA-N 0 0 346.459 4.322 50 30 EIEARN C=C(Br)CSc1nnc(C[C@@H](C)c2ccccc2)o1 ZINC000059928597 564065943 /nfs/dbraw/zinc/06/59/43/564065943.db2.gz ADOTXAHYHDMVJP-SNVBAGLBSA-N 0 0 339.258 4.417 50 30 EIEARN COc1ccc(N(Cc2cccs2)C(=O)c2cccc(C#N)c2)cc1 ZINC000012781190 564069977 /nfs/dbraw/zinc/06/99/77/564069977.db2.gz DYPVPPGHYMRUKU-UHFFFAOYSA-N 0 0 348.427 4.475 50 30 EIEARN Cc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)s1 ZINC000006046503 564072646 /nfs/dbraw/zinc/07/26/46/564072646.db2.gz DOAAVWVATWLKFY-HNNXBMFYSA-N 0 0 346.839 4.221 50 30 EIEARN C=CCSc1ccccc1NC(=O)Cc1ccc(NC(C)=O)cc1 ZINC000015819564 564074395 /nfs/dbraw/zinc/07/43/95/564074395.db2.gz IMRHQKRXSDLANH-UHFFFAOYSA-N 0 0 340.448 4.104 50 30 EIEARN C=CCSc1nc2c(c(=O)n1C)C1(CCCC1)Cc1ccccc1-2 ZINC000001829689 564074757 /nfs/dbraw/zinc/07/47/57/564074757.db2.gz ZJEUYSXEQXGDBF-UHFFFAOYSA-N 0 0 338.476 4.093 50 30 EIEARN C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1Cl)C2 ZINC000002469442 564074867 /nfs/dbraw/zinc/07/48/67/564074867.db2.gz XBPBAFJTJDRHDS-LBPRGKRZSA-N 0 0 343.810 4.232 50 30 EIEARN CCOc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000000081584 564075158 /nfs/dbraw/zinc/07/51/58/564075158.db2.gz VEDXZWCOPQITOA-UHFFFAOYSA-N 0 0 327.767 4.027 50 30 EIEARN N#Cc1ccc(COCC2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000075156605 564080929 /nfs/dbraw/zinc/08/09/29/564080929.db2.gz OQTURMVKWOTOMP-UHFFFAOYSA-N 0 0 349.434 4.019 50 30 EIEARN O=C(/C(=C\c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000075284521 564081529 /nfs/dbraw/zinc/08/15/29/564081529.db2.gz JPMYPWYPVNCINE-CAPFRKAQSA-N 0 0 348.423 4.384 50 30 EIEARN Oc1ccc(/C=N/c2c(-c3ccc(O)cc3)nc3ccccn32)cc1 ZINC000001797740 564087764 /nfs/dbraw/zinc/08/77/64/564087764.db2.gz PXNGKEWZYIXTMK-FYJGNVAPSA-N 0 0 329.359 4.163 50 30 EIEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccccc1 ZINC000239030871 564087995 /nfs/dbraw/zinc/08/79/95/564087995.db2.gz CMFFJLWRCKJZJH-UHFFFAOYSA-N 0 0 349.246 4.423 50 30 EIEARN S=C1N=NC(c2ccccc2)N1N=CC(Cl)=Cc1ccccc1 ZINC000252429309 564089383 /nfs/dbraw/zinc/08/93/83/564089383.db2.gz BIEJAKWDCJWBGS-TWERBRQASA-N 0 0 340.839 4.348 50 30 EIEARN N#Cc1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CCCC2 ZINC000001930537 564090273 /nfs/dbraw/zinc/09/02/73/564090273.db2.gz GKGWMSQDEHCONB-JXMROGBWSA-N 0 0 326.396 4.290 50 30 EIEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000006509685 564091204 /nfs/dbraw/zinc/09/12/04/564091204.db2.gz ONHONFNGDRLKCZ-ZDUSSCGKSA-N 0 0 349.415 4.088 50 30 EIEARN C[C@H](O)c1ccc(-c2ccc(C(=O)N3CCC(C)(C#N)CC3)cc2)cc1 ZINC000426518163 564093950 /nfs/dbraw/zinc/09/39/50/564093950.db2.gz BONHINVFFBOFAF-INIZCTEOSA-N 0 0 348.446 4.173 50 30 EIEARN Cc1cccc(-n2c(N)c(C#N)c3c(c2=S)CO[C@@H](C(C)C)C3)c1 ZINC000006719146 564096303 /nfs/dbraw/zinc/09/63/03/564096303.db2.gz AUUBXSZMCOYJNE-QGZVFWFLSA-N 0 0 339.464 4.066 50 30 EIEARN Cc1ccc2c(ncc(C(=O)OC(C)C)c2Nc2cccc(C#N)c2)n1 ZINC000065114235 564101218 /nfs/dbraw/zinc/10/12/18/564101218.db2.gz TYQILULQMNSEJX-UHFFFAOYSA-N 0 0 346.390 4.119 50 30 EIEARN CCn1c(Cc2ccccc2)nnc1SCc1ccccc1C#N ZINC000007290093 564106460 /nfs/dbraw/zinc/10/64/60/564106460.db2.gz APOGASFSDIBRCL-UHFFFAOYSA-N 0 0 334.448 4.053 50 30 EIEARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(C#N)c1 ZINC000007461799 564108681 /nfs/dbraw/zinc/10/86/81/564108681.db2.gz IHIZOMXUIQBDGI-UHFFFAOYSA-N 0 0 325.418 4.304 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccc(F)cc1 ZINC000170623393 564110427 /nfs/dbraw/zinc/11/04/27/564110427.db2.gz OQPOQBPNAIRYFW-AEFFLSMTSA-N 0 0 344.407 4.207 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccc(F)cc1 ZINC000170623392 564110446 /nfs/dbraw/zinc/11/04/46/564110446.db2.gz OQPOQBPNAIRYFW-SJLPKXTDSA-N 0 0 344.407 4.207 50 30 EIEARN N#CCCCOc1cccc(CNc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000089780702 564113700 /nfs/dbraw/zinc/11/37/00/564113700.db2.gz QWTFKGYOFMEIJK-UHFFFAOYSA-N 0 0 349.434 4.330 50 30 EIEARN CC(=O)c1ccc(Oc2ccc(C(=O)N(C)[C@H](C)CC#N)cc2)cc1 ZINC000089849342 564114335 /nfs/dbraw/zinc/11/43/35/564114335.db2.gz YEDQWONEGMZXFM-CQSZACIVSA-N 0 0 336.391 4.056 50 30 EIEARN Cc1nc(-c2cccc(C(=O)[C@H](C#N)c3nc(C)cc(C)n3)c2)cs1 ZINC000076089998 564115635 /nfs/dbraw/zinc/11/56/35/564115635.db2.gz NKDYKIKCNKREGW-INIZCTEOSA-N 0 0 348.431 4.015 50 30 EIEARN S=C1N=NC(c2ccccc2)N1N=Cc1ccc(Cl)c(Cl)c1 ZINC000252429495 564118406 /nfs/dbraw/zinc/11/84/06/564118406.db2.gz VMYHYNNUCUUBRZ-UHFFFAOYSA-N 0 0 349.246 4.423 50 30 EIEARN COc1ccc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)cc1C ZINC000252594556 564121054 /nfs/dbraw/zinc/12/10/54/564121054.db2.gz BTMYJPGCYQWKEI-HDTIWSQQSA-N 0 0 338.432 4.237 50 30 EIEARN COc1ccc(/C=C2/SC(=Nc3ccccc3)N(C)C2=O)cc1C ZINC000252594558 564121081 /nfs/dbraw/zinc/12/10/81/564121081.db2.gz BTMYJPGCYQWKEI-NETLLJLASA-N 0 0 338.432 4.237 50 30 EIEARN COc1cccc(/C=C2\SC(=Nc3ccc(C)cc3)N(C)C2=O)c1 ZINC000252598280 564121138 /nfs/dbraw/zinc/12/11/38/564121138.db2.gz CZLPUJWLOAOXQB-HDTIWSQQSA-N 0 0 338.432 4.237 50 30 EIEARN CCc1ccc(N=C2S/C(=C\c3ccccc3O)C(=O)N2C)cc1 ZINC000252614624 564122035 /nfs/dbraw/zinc/12/20/35/564122035.db2.gz JLCJEWDTOIJVNF-HDTIWSQQSA-N 0 0 338.432 4.188 50 30 EIEARN C=CCSc1ccccc1NS(=O)(=O)c1cc(C)ccc1C ZINC000007709690 564122177 /nfs/dbraw/zinc/12/21/77/564122177.db2.gz OQWAIERUXIDURU-UHFFFAOYSA-N 0 0 333.478 4.382 50 30 EIEARN Cc1cccc(C)c1N=C1S/C(=C/c2cccc(O)c2)C(=O)N1C ZINC000252618576 564122201 /nfs/dbraw/zinc/12/22/01/564122201.db2.gz LHSWYVATZJAMMB-ZRHYCJNMSA-N 0 0 338.432 4.243 50 30 EIEARN COc1ccc(C(=O)Nc2ccccc2C(=NO)c2ccccc2)cc1 ZINC000252621339 564122822 /nfs/dbraw/zinc/12/28/22/564122822.db2.gz MVXVZTKNRIUIAV-UHFFFAOYSA-N 0 0 346.386 4.174 50 30 EIEARN N#Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 ZINC000007793003 564123385 /nfs/dbraw/zinc/12/33/85/564123385.db2.gz NXFAJDIBQLGMSM-UHFFFAOYSA-N 0 0 345.427 4.423 50 30 EIEARN N#Cc1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)c(Cl)c1 ZINC000007856309 564124262 /nfs/dbraw/zinc/12/42/62/564124262.db2.gz NVCRAYLYEFDDEY-UHFFFAOYSA-N 0 0 329.827 4.376 50 30 EIEARN Cc1cc(C(=O)COc2ccc(C#N)cc2Cl)c(C)n1C1CC1 ZINC000007857103 564124273 /nfs/dbraw/zinc/12/42/73/564124273.db2.gz OEOJEHXMOGTGJK-UHFFFAOYSA-N 0 0 328.799 4.227 50 30 EIEARN O=C1C(=Nc2ccc(Cl)c(Cl)c2)c2cccc3c2N1CCC3 ZINC000252677927 564124891 /nfs/dbraw/zinc/12/48/91/564124891.db2.gz BFKLAHMEVQCWKD-UHFFFAOYSA-N 0 0 331.202 4.407 50 30 EIEARN N#Cc1cccc(NC(=O)c2ccccc2SC[C@@H]2CCCO2)c1 ZINC000007921100 564125470 /nfs/dbraw/zinc/12/54/70/564125470.db2.gz SKDWKWMXYHZUOP-INIZCTEOSA-N 0 0 338.432 4.082 50 30 EIEARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000257345460 564130205 /nfs/dbraw/zinc/13/02/05/564130205.db2.gz LMVLICSGVDWDSM-GUVBLYABSA-N 0 0 344.495 4.037 50 30 EIEARN CN(C)/C=N/C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000017888476 564131981 /nfs/dbraw/zinc/13/19/81/564131981.db2.gz CTIZMUPXJVLOPC-RGVLZGJSSA-N 0 0 325.799 4.218 50 30 EIEARN C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@]21CO1 ZINC000253499821 564132758 /nfs/dbraw/zinc/13/27/58/564132758.db2.gz OULYBQZTBUFJRZ-STHVQZNPSA-N 0 0 344.495 4.461 50 30 EIEARN CCOc1ccc(-c2nc(C#N)c(N3C[C@@H](C)C[C@H](C)C3)o2)cc1 ZINC000000467521 564133265 /nfs/dbraw/zinc/13/32/65/564133265.db2.gz DHWLJSXMQGNKPK-KBPBESRZSA-N 0 0 325.412 4.094 50 30 EIEARN N#Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000000621118 564133508 /nfs/dbraw/zinc/13/35/08/564133508.db2.gz JWHACFAEEKCOOH-UHFFFAOYSA-N 0 0 335.588 4.226 50 30 EIEARN C=CCCc1ccccc1NC(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000585090906 564133961 /nfs/dbraw/zinc/13/39/61/564133961.db2.gz ZGGDGXKWICTAMM-SFHVURJKSA-N 0 0 328.456 4.371 50 30 EIEARN CCn1cc(CN2CCC[C@H]2c2nc3ccccc3s2)cc1C#N ZINC000077505010 564134267 /nfs/dbraw/zinc/13/42/67/564134267.db2.gz YJWBVYAECGWKGP-KRWDZBQOSA-N 0 0 336.464 4.326 50 30 EIEARN COc1cccc(C(=O)O/N=C(\C)[C@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000012350701 564135222 /nfs/dbraw/zinc/13/52/22/564135222.db2.gz FWHQLNQEJVBFLP-YAHSPCSVSA-N 0 0 327.355 4.171 50 30 EIEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1ccc2ccccc2c1 ZINC000012986439 564135782 /nfs/dbraw/zinc/13/57/82/564135782.db2.gz NCLKTOKAMHGBRR-INIZCTEOSA-N 0 0 344.414 4.137 50 30 EIEARN CCc1ccc([C@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 ZINC000012989222 564135801 /nfs/dbraw/zinc/13/58/01/564135801.db2.gz DTGJLIJDZDMNSL-AWEZNQCLSA-N 0 0 347.418 4.304 50 30 EIEARN CCc1ccc([C@@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 ZINC000012989218 564135808 /nfs/dbraw/zinc/13/58/08/564135808.db2.gz DTGJLIJDZDMNSL-CQSZACIVSA-N 0 0 347.418 4.304 50 30 EIEARN N#C[C@]12CCCC[C@@H]1C[C@@H]1CCCC[C@]1(C#N)N2Cc1cccnc1 ZINC000013202514 564136104 /nfs/dbraw/zinc/13/61/04/564136104.db2.gz CQUGUAYZDBOGML-PLACYPQZSA-N 0 0 334.467 4.192 50 30 EIEARN CCc1noc(C)c1NC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000328588551 564136618 /nfs/dbraw/zinc/13/66/18/564136618.db2.gz SHWKGDFFECPCNS-BBRMVZONSA-N 0 0 327.428 4.277 50 30 EIEARN O=C(NCc1cc2cc(F)ccc2s1)[C@@H]1CCc2n[nH]cc2C1 ZINC000328590328 564136708 /nfs/dbraw/zinc/13/67/08/564136708.db2.gz GQEAYFKPYNLWEN-SNVBAGLBSA-N 0 0 329.400 4.025 50 30 EIEARN CCOc1cc(C(=O)NC(C)(C)c2ccc(F)cc2)ccc1OC ZINC000328590768 564136714 /nfs/dbraw/zinc/13/67/14/564136714.db2.gz MTLLSXXAOBFZJD-UHFFFAOYSA-N 0 0 331.387 4.473 50 30 EIEARN O=C(Nc1ccccc1O[C@@H]1CCOC1)c1cc(O)c2ccccc2c1 ZINC000328594299 564136817 /nfs/dbraw/zinc/13/68/17/564136817.db2.gz VMVLSTVQGCVHIZ-MRXNPFEDSA-N 0 0 349.386 4.349 50 30 EIEARN Cc1nnc([C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)o1 ZINC000079030559 564137709 /nfs/dbraw/zinc/13/77/09/564137709.db2.gz KUFADZZBRMMSPV-CYBMUJFWSA-N 0 0 334.379 4.002 50 30 EIEARN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1cccc(SCC#N)c1 ZINC000079650471 564138290 /nfs/dbraw/zinc/13/82/90/564138290.db2.gz ZPYIIWWWJBCXIP-AWEZNQCLSA-N 0 0 338.432 4.038 50 30 EIEARN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1SCCC#N ZINC000095953580 564142425 /nfs/dbraw/zinc/14/24/25/564142425.db2.gz AGNSDHYICSIPER-CYBMUJFWSA-N 0 0 344.411 4.237 50 30 EIEARN Cc1nc(/C=C\c2cccnc2)sc1C(=O)/C=C\c1cccnc1 ZINC000096257381 564146185 /nfs/dbraw/zinc/14/61/85/564146185.db2.gz MYBKPNMOUQHJIQ-VRHVFUOLSA-N 0 0 333.416 4.308 50 30 EIEARN CC(=NNc1ccccc1C)c1cc2c(C)cc(=O)oc2c(C)c1O ZINC000096343763 564146814 /nfs/dbraw/zinc/14/68/14/564146814.db2.gz YXIBBEQNLVJNBD-STZFKDTASA-N 0 0 336.391 4.260 50 30 EIEARN CC(C)(C)c1nc(C#N)c(NC[C@H](c2ccco2)N2CCCCC2)o1 ZINC000027992938 564149922 /nfs/dbraw/zinc/14/99/22/564149922.db2.gz AFFGEMUZKLGNPV-OAHLLOKOSA-N 0 0 342.443 4.076 50 30 EIEARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C#N)c1 ZINC000002561660 564150887 /nfs/dbraw/zinc/15/08/87/564150887.db2.gz BUCUCXYWWOKADW-UHFFFAOYSA-N 0 0 337.766 4.427 50 30 EIEARN Cc1ccc(SCC(=O)N(CCC#N)c2ccc(F)cc2)c(C)c1 ZINC000002664986 564152110 /nfs/dbraw/zinc/15/21/10/564152110.db2.gz ZUGMSCMOLFHLLX-UHFFFAOYSA-N 0 0 342.439 4.482 50 30 EIEARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000002764482 564152483 /nfs/dbraw/zinc/15/24/83/564152483.db2.gz UXSCSIHUFKBDPZ-JTQLQIEISA-N 0 0 346.839 4.168 50 30 EIEARN Oc1ccc(Br)cc1/C=N/CCc1ccc(Cl)cc1 ZINC000057411974 564154008 /nfs/dbraw/zinc/15/40/08/564154008.db2.gz DAERCBFHLJTUBK-VCHYOVAHSA-N 0 0 338.632 4.470 50 30 EIEARN Cc1ccc(CN=Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000003961700 564159788 /nfs/dbraw/zinc/15/97/88/564159788.db2.gz QEBKHCYXCPPZJS-UHFFFAOYSA-N 0 0 338.392 4.473 50 30 EIEARN C#CCOc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2)c1 ZINC000031820726 564160010 /nfs/dbraw/zinc/16/00/10/564160010.db2.gz AHPSMCQWWYYVFH-SFHVURJKSA-N 0 0 343.386 4.008 50 30 EIEARN COC(=O)c1cc2ccccc2cc1Oc1ccc([N+](=O)[O-])cc1C#N ZINC000008119903 564162801 /nfs/dbraw/zinc/16/28/01/564162801.db2.gz ANGGXHWIYWKNAU-UHFFFAOYSA-N 0 0 348.314 4.199 50 30 EIEARN CCCOc1ccc(-c2nc(C#N)c(NCc3cccnc3)o2)cc1 ZINC000008628352 564166143 /nfs/dbraw/zinc/16/61/43/564166143.db2.gz VSECCNYSIHIXDB-UHFFFAOYSA-N 0 0 334.379 4.009 50 30 EIEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(OC)nc2)c1 ZINC000008631618 564166148 /nfs/dbraw/zinc/16/61/48/564166148.db2.gz NEESLYVREJUFDE-UHFFFAOYSA-N 0 0 325.412 4.180 50 30 EIEARN C=CCCO[C@H](C)C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC000067799061 564166948 /nfs/dbraw/zinc/16/69/48/564166948.db2.gz GWBOSTLLYGECIN-PWSUYJOCSA-N 0 0 334.828 4.107 50 30 EIEARN C=CCn1c(C)cc(-c2csc(NC(=O)c3ccccn3)n2)c1C ZINC000008752407 564167332 /nfs/dbraw/zinc/16/73/32/564167332.db2.gz NWDCXEKTUQWFBC-UHFFFAOYSA-N 0 0 338.436 4.062 50 30 EIEARN COc1cc(-c2nc3c(cccc3F)n2C2CC2)ccc1OCC#N ZINC000069836284 564172422 /nfs/dbraw/zinc/17/24/22/564172422.db2.gz HAQOZUSRXHGNMZ-UHFFFAOYSA-N 0 0 337.354 4.088 50 30 EIEARN Cc1ccc(NC2=N[C@@H]3N=C(c4ccc(C)cc4)S[C@H]3S2)cc1 ZINC000041097508 564173135 /nfs/dbraw/zinc/17/31/35/564173135.db2.gz MNVUGUZSNAZIGP-RDJZCZTQSA-N 0 0 339.489 4.473 50 30 EIEARN O=C(Nc1cccnc1)/C(=C\c1cccs1)C(=O)c1ccccc1 ZINC000071845420 564175935 /nfs/dbraw/zinc/17/59/35/564175935.db2.gz HSCGOWOTUICESW-ATVHPVEESA-N 0 0 334.400 4.048 50 30 EIEARN CCN(CCC#N)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000078579883 564177010 /nfs/dbraw/zinc/17/70/10/564177010.db2.gz LTRHRHKZUBZIBA-UHFFFAOYSA-N 0 0 334.379 4.118 50 30 EIEARN N#Cc1c(NC(=O)CCN2CCC=C(F)C2)sc2c1CCCCC2 ZINC000329284470 1022803425 /nfs/dbraw/zinc/80/34/25/1022803425.db2.gz LNFUQOZTNCGRQG-UHFFFAOYSA-N 0 0 347.459 4.426 50 30 EIEARN COc1ccc(/C=C2\CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000098054324 1023227107 /nfs/dbraw/zinc/22/71/07/1023227107.db2.gz DBSJMESCDIMEHE-LZTIWXADSA-N 0 0 335.359 4.433 50 30 EIEARN Cc1ccc2c(c1)CC[C@H](C(=O)NCc1nc3cccc(C)c3n1C)O2 ZINC000330002207 1023613441 /nfs/dbraw/zinc/61/34/41/1023613441.db2.gz AVYKKQYEWVJLIM-GOSISDBHSA-N 0 0 349.434 4.040 50 30 EIEARN CO[C@@H]1CCC[C@@H](CC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)C1 ZINC000331049015 1023643124 /nfs/dbraw/zinc/64/31/24/1023643124.db2.gz HEGVRGVUPVZFCT-ATZDWAIDSA-N 0 0 342.483 4.260 50 30 EIEARN O=C(O/N=C\c1ccc(Br)cc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000004963531 1025088115 /nfs/dbraw/zinc/08/81/15/1025088115.db2.gz BWIBJURRTJGCLL-DEKPZMAWSA-N 0 0 344.208 4.130 50 30 EIEARN CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(O)cc2)cc1OC ZINC000013041786 1025316953 /nfs/dbraw/zinc/31/69/53/1025316953.db2.gz CKNUGXXJPOLMIT-RUDMXATFSA-N 0 0 332.783 4.349 50 30 EIEARN N#Cc1ccccc1CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000005229144 1030668480 /nfs/dbraw/zinc/66/84/80/1030668480.db2.gz MMMSIWGXEDYMCD-UHFFFAOYSA-N 0 0 332.432 4.309 50 30 EIEARN CCCCOc1ccc(C=NNC(=S)Nc2ccc(C)cc2)cc1 ZINC000254848538 1034454010 /nfs/dbraw/zinc/45/40/10/1034454010.db2.gz GZUVGNRADCMTLD-UHFFFAOYSA-N 0 0 341.480 4.494 50 30 EIEARN N#C[C@]1(c2nc3ccccc3[nH]2)Cc2c(F)cccc2N2CCCC[C@H]21 ZINC000006566760 1039474786 /nfs/dbraw/zinc/47/47/86/1039474786.db2.gz JRVYXULFWFUGEN-PZJWPPBQSA-N 0 0 346.409 4.079 50 30 EIEARN COc1ccc(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000007742016 1040424063 /nfs/dbraw/zinc/42/40/63/1040424063.db2.gz KEFMUAGJVLSSRV-BUHFOSPRSA-N 0 0 332.403 4.394 50 30 EIEARN COc1ccc2c(c1)OCC/C(=C/c1ccc(O[C@@H](C)C#N)cc1)C2=O ZINC000606443165 1043067280 /nfs/dbraw/zinc/06/72/80/1043067280.db2.gz FNLUPPHBRQGSCP-HNDQUVLASA-N 0 0 349.386 4.035 50 30 EIEARN CC(=NN=C(C(=O)c1ccccc1)c1ccccc1)c1ccc(N)cc1 ZINC000606442346 1043068119 /nfs/dbraw/zinc/06/81/19/1043068119.db2.gz FEPYKDVXDNROOH-UHFFFAOYSA-N 0 0 341.414 4.365 50 30 EIEARN C#CCCC1(CCC(=O)N2CCCC[C@H]2c2ccc(CC)o2)N=N1 ZINC000952881320 1049681746 /nfs/dbraw/zinc/68/17/46/1049681746.db2.gz MJAIDNQCLOUQCA-INIZCTEOSA-N 0 0 327.428 4.251 50 30 EIEARN C=C[C@]1(C)C[C@H](OC)[C@]2(C)[C@@H]3C(=O)CC[C@]3(CC[C@H]2C)[C@@H](C)C1=O ZINC000252641550 1051200557 /nfs/dbraw/zinc/20/05/57/1051200557.db2.gz ZESCDQYMVQFZRC-IYXQGDRGSA-N 0 0 332.484 4.204 50 30 EIEARN O=C(/C=C\c1ccc2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 ZINC000033652252 1052825729 /nfs/dbraw/zinc/82/57/29/1052825729.db2.gz RXYAUWFGKKGERQ-XQRVVYSFSA-N 0 0 334.293 4.373 50 30 EIEARN CC(C)Oc1ccccc1/C=C/C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000253400604 1055463264 /nfs/dbraw/zinc/46/32/64/1055463264.db2.gz XZOBFGLSOQCIDV-JXMROGBWSA-N 0 0 329.327 4.417 50 30 EIEARN COC(=O)c1ccc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)cc1 ZINC000013141409 1056742872 /nfs/dbraw/zinc/74/28/72/1056742872.db2.gz YABALZRZGORILI-VGOFMYFVSA-N 0 0 349.430 4.360 50 30 EIEARN C[C@H]1C[C@H](C)CN(CC(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000050099985 214045206 /nfs/dbraw/zinc/04/52/06/214045206.db2.gz PVBRXBJSIFSUIZ-KBPBESRZSA-N 0 0 329.469 4.376 50 30 EIEARN N#CNC1=N[C@@H](c2ccccc2)C2=C(N1)C(=Cc1ccccc1)CCC2 ZINC000004728764 210263228 /nfs/dbraw/zinc/26/32/28/210263228.db2.gz LGUAJZZMPFHDJE-GJPUVDBCSA-N 0 0 340.430 4.279 50 30 EIEARN CN(Cc1ccccc1O)C(=O)c1ccccc1-c1ccccc1C#N ZINC000053915488 214204947 /nfs/dbraw/zinc/20/49/47/214204947.db2.gz WJFSOXKWLFLLNZ-UHFFFAOYSA-N 0 0 342.398 4.203 50 30 EIEARN CNc1ccccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1=O ZINC000004667333 210241626 /nfs/dbraw/zinc/24/16/26/210241626.db2.gz OMBMSKYKLFKUDF-DHZHZOJOSA-N 0 0 333.309 4.003 50 30 EIEARN CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000058391752 214569448 /nfs/dbraw/zinc/56/94/48/214569448.db2.gz FFJYDNDMGVBFBP-FNORWQNLSA-N 0 0 333.775 4.165 50 30 EIEARN O=C(C=Cc1ccsc1)C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000004599441 210230442 /nfs/dbraw/zinc/23/04/42/210230442.db2.gz OHADLNDOWIELOA-LQYUOIDQSA-N 0 0 326.339 4.171 50 30 EIEARN CN1c2ccccc2C(C)(C)/C1=C/C=C1\C(=O)Oc2ccccc2C1=O ZINC000004567372 210223677 /nfs/dbraw/zinc/22/36/77/210223677.db2.gz YLLQGZRQSRCGJQ-MLBUPBODSA-N 0 0 345.398 4.026 50 30 aggregator EIEARN Cc1sc(NC(=O)CCSc2ccc(F)cc2)c(C#N)c1C ZINC000004570330 210223368 /nfs/dbraw/zinc/22/33/68/210223368.db2.gz WLOABIXUOYCYJU-UHFFFAOYSA-N 0 0 334.441 4.497 50 30 EIEARN Cc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(Br)s1 ZINC000100004266 219088558 /nfs/dbraw/zinc/08/85/58/219088558.db2.gz XJIUQKPTYXEISN-VGOFMYFVSA-N 0 0 325.187 4.478 50 30 EIEARN Cc1cc(/N=C/c2ccc(-n3cncn3)cc2)ccc1Br ZINC000100101043 219091352 /nfs/dbraw/zinc/09/13/52/219091352.db2.gz RUXFPCVPWQTTON-DJKKODMXSA-N 0 0 341.212 4.089 50 30 EIEARN CSc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000004517400 210211845 /nfs/dbraw/zinc/21/18/45/210211845.db2.gz PTTVRAWZYNGYDO-UHFFFAOYSA-N 0 0 328.462 4.473 50 30 EIEARN O=C1CC[C@H](c2ccccc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000100217407 219095403 /nfs/dbraw/zinc/09/54/03/219095403.db2.gz KOYLONWZCFGICS-WISAJEAXSA-N 0 0 325.795 4.352 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)NC(=S)[C@H](C#N)[C@@H]2c1ccc(Cl)cc1 ZINC000100363646 219097362 /nfs/dbraw/zinc/09/73/62/219097362.db2.gz PZTQPAIVZBBREJ-DOMZBBRYSA-N 0 0 344.867 4.137 50 30 EIEARN C[C@H]1CC(C)(C)N2C(=O)/C(=N/c3ccc4c(c3)OCO4)c3cccc1c32 ZINC000100417572 219098309 /nfs/dbraw/zinc/09/83/09/219098309.db2.gz OGJCKFDWRAVTEV-MVGOPGGASA-N 0 0 348.402 4.169 50 30 EIEARN O=C1c2ccccc2C(=O)C1=CNCc1ccc(Cl)c(Cl)c1 ZINC000100500249 219100306 /nfs/dbraw/zinc/10/03/06/219100306.db2.gz APWJDCQDBJIRDH-UHFFFAOYSA-N 0 0 332.186 4.046 50 30 EIEARN C=CCn1c(-c2ccccc2)cs/c1=N/N=C/c1ccc(F)cc1 ZINC000004476796 210196356 /nfs/dbraw/zinc/19/63/56/210196356.db2.gz GNXRSOGQEFOHRE-WVZQHPIYSA-N 0 0 337.423 4.477 50 30 EIEARN COc1cc(/C=C\C(=O)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000004462168 210195410 /nfs/dbraw/zinc/19/54/10/210195410.db2.gz IQAPXEUYWKSSTF-WTKPLQERSA-N 0 0 332.783 4.262 50 30 biogenic EIEARN C=CCO/N=C(/CCC)C1C(=O)CC(C[C@@H](C)SCC)CC1=O ZINC000100683808 219103949 /nfs/dbraw/zinc/10/39/49/219103949.db2.gz JMZIBZMWNVZULD-RNYLOSHSSA-N 0 0 339.501 4.041 50 30 EIEARN CC1=NOC(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000100815541 219107983 /nfs/dbraw/zinc/10/79/83/219107983.db2.gz HZLGQNVCFOTVEG-RIYZIHGNSA-N 0 0 345.757 4.374 50 30 EIEARN Cc1cc(Cl)cc2sc(NC(=O)c3ccc(C#N)cc3)nc21 ZINC000004330987 210172720 /nfs/dbraw/zinc/17/27/20/210172720.db2.gz DXNKJVBKOFHLDE-UHFFFAOYSA-N 0 0 327.796 4.382 50 30 EIEARN C=CCc1c(C)nc(-c2ccccc2)nc1N=NCc1ccc(O)cc1 ZINC000004154649 210133937 /nfs/dbraw/zinc/13/39/37/210133937.db2.gz YDCVQBRFYJWPFO-HYARGMPZSA-N 0 0 344.418 4.332 50 30 EIEARN N#Cc1sc(NC(=O)c2ccc(Cl)c(Cl)c2)nc1Cl ZINC000004106271 210120681 /nfs/dbraw/zinc/12/06/81/210120681.db2.gz NNTFCSKVNDIFRE-UHFFFAOYSA-N 0 0 332.599 4.227 50 30 EIEARN CC(=O)c1sc(NC(=O)c2ccc(C#N)cc2)nc1-c1ccccc1 ZINC000004070034 210111344 /nfs/dbraw/zinc/11/13/44/210111344.db2.gz BAIHHSFQFHFKGB-UHFFFAOYSA-N 0 0 347.399 4.137 50 30 EIEARN CO/N=C(/C[S@@](=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004060192 210110211 /nfs/dbraw/zinc/11/02/11/210110211.db2.gz JTOMXLZEJQUEFU-TXOBRMIJSA-N 0 0 342.247 4.152 50 30 EIEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000004033293 210105170 /nfs/dbraw/zinc/10/51/70/210105170.db2.gz OTSFGVDRZMPAKG-KRWDZBQOSA-N 0 0 345.446 4.360 50 30 EIEARN Cc1ccsc1CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000066179677 215019300 /nfs/dbraw/zinc/01/93/00/215019300.db2.gz WZBVZWYTCRNMOE-UHFFFAOYSA-N 0 0 327.453 4.048 50 30 EIEARN N#CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000003572803 210057101 /nfs/dbraw/zinc/05/71/01/210057101.db2.gz QSPSKTXJTBZYQU-UHFFFAOYSA-N 0 0 326.812 4.203 50 30 EIEARN Cc1ccc(-n2c(S[C@H](C)C#N)nc3ccccc3c2=O)c(C)c1 ZINC000003463570 210046865 /nfs/dbraw/zinc/04/68/65/210046865.db2.gz FKHMQPWSPUFWTL-CQSZACIVSA-N 0 0 335.432 4.007 50 30 EIEARN O=C1C(=C\c2ccccc2)/C(=N/Cc2ccccc2)N=C2SC=CN21 ZINC000102660946 219219258 /nfs/dbraw/zinc/21/92/58/219219258.db2.gz UZEIGAUXUPRTML-STNDCBMESA-N 0 0 345.427 4.085 50 30 EIEARN N#Cc1ccc(NC(=O)CNc2cccc3ccccc32)cc1Cl ZINC000003399466 210028246 /nfs/dbraw/zinc/02/82/46/210028246.db2.gz AZDHQUQKCOHRQE-UHFFFAOYSA-N 0 0 335.794 4.415 50 30 EIEARN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CC#N ZINC000003394800 210026896 /nfs/dbraw/zinc/02/68/96/210026896.db2.gz MXXZEEFSVMBNMK-UHFFFAOYSA-N 0 0 348.811 4.097 50 30 EIEARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)/C=C/N(C)C ZINC000043798955 213597511 /nfs/dbraw/zinc/59/75/11/213597511.db2.gz TVPFXRYPPGNZQS-CMDGGOBGSA-N 0 0 340.370 4.395 50 30 EIEARN N#Cc1cccc(NC(=O)c2sc3ncccc3c2-n2cccc2)c1 ZINC000067245682 215127707 /nfs/dbraw/zinc/12/77/07/215127707.db2.gz LPMIZZPEAPBDGW-UHFFFAOYSA-N 0 0 344.399 4.211 50 30 EIEARN C=CCNC(=O)Cc1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000003047470 209957339 /nfs/dbraw/zinc/95/73/39/209957339.db2.gz BYBANIBAIBUQHJ-UHFFFAOYSA-N 0 0 334.444 4.322 50 30 EIEARN C=CCN1C(=O)/C(=C\c2c(OC)ccc3ccccc32)SC1=S ZINC000003030884 209956305 /nfs/dbraw/zinc/95/63/05/209956305.db2.gz KDTUMASDSJTZMQ-LFIBNONCSA-N 0 0 341.457 4.236 50 30 EIEARN COc1cc(Oc2cccc(C#N)n2)cc(Cl)c1CN1CCCC1 ZINC000067820096 215221875 /nfs/dbraw/zinc/22/18/75/215221875.db2.gz JWRUDSIIDAXBQN-UHFFFAOYSA-N 0 0 343.814 4.003 50 30 EIEARN C=CCc1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000067954894 215259255 /nfs/dbraw/zinc/25/92/55/215259255.db2.gz DLOBUCZNRFXKMP-IBGZPJMESA-N 0 0 341.838 4.282 50 30 EIEARN C=CCN1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067981899 215267125 /nfs/dbraw/zinc/26/71/25/215267125.db2.gz HOGHTQKQYGPPLR-UHFFFAOYSA-N 0 0 338.432 4.049 50 30 EIEARN N#Cc1ccc(NC(=O)COc2cccc3ccccc32)cc1Cl ZINC000002645328 209881991 /nfs/dbraw/zinc/88/19/91/209881991.db2.gz RAROXKIVBJPYPY-UHFFFAOYSA-N 0 0 336.778 4.382 50 30 EIEARN Cc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000002631226 209878220 /nfs/dbraw/zinc/87/82/20/209878220.db2.gz RDZPWHJANCMKNT-GOSISDBHSA-N 0 0 334.419 4.254 50 30 EIEARN O=C1c2ccccc2C(=O)C1=CNc1cc(C(F)(F)F)ccc1F ZINC000002582201 209870570 /nfs/dbraw/zinc/87/05/70/209870570.db2.gz MACPUKBKWNXEKS-UHFFFAOYSA-N 0 0 335.256 4.220 50 30 EIEARN COc1cc(C(=O)C=CNc2cccc(Cl)c2)cc(OC)c1OC ZINC000002310328 209840145 /nfs/dbraw/zinc/84/01/45/209840145.db2.gz KWIMDBLMZOWHMO-BQYQJAHWSA-N 0 0 347.798 4.174 50 30 EIEARN CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1c(F)cccc1Cl ZINC000068943325 215347931 /nfs/dbraw/zinc/34/79/31/215347931.db2.gz KMCDVIUTGHSNJB-CHHVJCJISA-N 0 0 341.835 4.011 50 30 EIEARN COc1ccccc1[C@H]1C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000069528121 215459708 /nfs/dbraw/zinc/45/97/08/215459708.db2.gz IZMIGWRMFGHGNI-WOJBJXKFSA-N 0 0 348.446 4.108 50 30 EIEARN N#Cc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000001514825 209756716 /nfs/dbraw/zinc/75/67/16/209756716.db2.gz QELNTUPSHNYPHV-UHFFFAOYSA-N 0 0 341.342 4.212 50 30 EIEARN N#CCOc1ccccc1/C=C/C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000040140030 213271396 /nfs/dbraw/zinc/27/13/96/213271396.db2.gz XYMSCAQSBCROOS-JXMROGBWSA-N 0 0 347.292 4.384 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000001422988 209744592 /nfs/dbraw/zinc/74/45/92/209744592.db2.gz HCPONFOALFDDNU-LBPRGKRZSA-N 0 0 338.325 4.379 50 30 EIEARN N#CC1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 ZINC000069652908 215514999 /nfs/dbraw/zinc/51/49/99/215514999.db2.gz IFIMAEGUAVTOHV-UHFFFAOYSA-N 0 0 347.846 4.429 50 30 EIEARN O=C1C[C@@](O)(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000001000297 209699036 /nfs/dbraw/zinc/69/90/36/209699036.db2.gz JMQDECCLRBOGQZ-HSZRJFAPSA-N 0 0 326.395 4.458 50 30 aggregator EIEARN Cc1ccc2c(c1)/C(=C/C(=O)c1ccc(Br)s1)C(=O)N2 ZINC000000618367 209682082 /nfs/dbraw/zinc/68/20/82/209682082.db2.gz ZOCGMVHZFPOJIC-YFHOEESVSA-N 0 0 348.221 4.037 50 30 EIEARN Cc1nn(-c2ccccc2)c(CSc2nc3ccccc3[nH]2)c1C#N ZINC000036784366 213118295 /nfs/dbraw/zinc/11/82/95/213118295.db2.gz ORJSMTGLMFINCG-UHFFFAOYSA-N 0 0 345.431 4.221 50 30 EIEARN N#C[C@]12CCCC[C@@H]1C[C@H]1CCCC[C@]1(C#N)N2Cc1cccnc1 ZINC000036003820 213055446 /nfs/dbraw/zinc/05/54/46/213055446.db2.gz CQUGUAYZDBOGML-XRXFAXGQSA-N 0 0 334.467 4.192 50 30 EIEARN N#C[C@@]12CCCC[C@@H]1C[C@H]1CCCC[C@]1(C#N)N2Cc1ccccn1 ZINC000036003797 213055103 /nfs/dbraw/zinc/05/51/03/213055103.db2.gz CBZQHICWBVVOJL-UKAVVXHISA-N 0 0 334.467 4.192 50 30 EIEARN CCCn1cnc2cc(-c3noc(-c4ccc(C#N)cc4)n3)ccc21 ZINC000035453586 213028157 /nfs/dbraw/zinc/02/81/57/213028157.db2.gz TWCVDOAOGJRMIL-UHFFFAOYSA-N 0 0 329.363 4.035 50 30 EIEARN O=C(/C=C\c1ccc2c(c1)OCCO2)c1cccc(Br)c1 ZINC000035167426 213011833 /nfs/dbraw/zinc/01/18/33/213011833.db2.gz FYUYKIGFHAELNU-XQRVVYSFSA-N 0 0 345.192 4.116 50 30 EIEARN Cc1ccc2ncccc2c1-c1cc(-c2ccc[nH]2)nc(N)c1C#N ZINC000071746071 215801792 /nfs/dbraw/zinc/80/17/92/215801792.db2.gz XFUSWYRSGIDXBF-UHFFFAOYSA-N 0 0 325.375 4.054 50 30 EIEARN N#Cc1ccccc1CN1CCCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072166588 216056038 /nfs/dbraw/zinc/05/60/38/216056038.db2.gz XKYBQAYYCSLYRF-LJQANCHMSA-N 0 0 334.398 4.301 50 30 EIEARN C=CCOc1cc(C(=O)Nc2c(C)nn(CC)c2C)cc2occc21 ZINC000072240223 216079450 /nfs/dbraw/zinc/07/94/50/216079450.db2.gz KNBWIMQGXIHYFL-UHFFFAOYSA-N 0 0 339.395 4.083 50 30 EIEARN CC(C)c1noc(COC(=O)c2ccccc2-c2ccccc2C#N)n1 ZINC000029142910 212653556 /nfs/dbraw/zinc/65/35/56/212653556.db2.gz UNKAXQDPHDTKLC-UHFFFAOYSA-N 0 0 347.374 4.089 50 30 EIEARN CC(=O)[C@H](C)Sc1nc(-c2ccco2)cc(C(F)(F)F)c1C#N ZINC000000141938 209446130 /nfs/dbraw/zinc/44/61/30/209446130.db2.gz CJVDCDURYMZPHL-VIFPVBQESA-N 0 0 340.326 4.302 50 30 EIEARN Cc1cc(Nc2cccc(N(C)C)c2)n2c3ccccc3nc2c1C#N ZINC000000062151 209395608 /nfs/dbraw/zinc/39/56/08/209395608.db2.gz VZYRGLGSUCOTCB-UHFFFAOYSA-N 0 0 341.418 4.477 50 30 EIEARN O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(Cl)c(Cl)c1)OCO2 ZINC000000061739 209395662 /nfs/dbraw/zinc/39/56/62/209395662.db2.gz KYANNBCFAOBECS-UBKPWBPPSA-N 0 0 339.134 4.381 50 30 EIEARN CCOC(=O)c1c(C)c(C)sc1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000000060039 209394539 /nfs/dbraw/zinc/39/45/39/209394539.db2.gz KKIVOESZKPPOJM-RQZCQDPDSA-N 0 0 332.381 4.200 50 30 EIEARN N#Cc1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N ZINC000000049758 209390664 /nfs/dbraw/zinc/39/06/64/209390664.db2.gz IIZMCYUXZYKWKG-UHFFFAOYSA-N 0 0 325.340 4.497 50 30 EIEARN N#Cc1ccccc1-c1ccc(COC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000023444171 212377789 /nfs/dbraw/zinc/37/77/89/212377789.db2.gz ASWKJNFBNZSEQW-UHFFFAOYSA-N 0 0 348.314 4.083 50 30 EIEARN CNc1nc(N=NCc2c3ccccc3cc3ccccc32)ncc1F ZINC000023382728 212374075 /nfs/dbraw/zinc/37/40/75/212374075.db2.gz WIKPLKFMUBVGAB-BHGWPJFGSA-N 0 0 345.381 4.410 50 30 EIEARN CCc1ccc2ncc(C#N)c(Nc3ccc(OC)c(OC)c3)c2c1 ZINC000023119215 212349666 /nfs/dbraw/zinc/34/96/66/212349666.db2.gz SWDYTGKHSUMUAG-UHFFFAOYSA-N 0 0 333.391 4.430 50 30 EIEARN C#Cc1cccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c1 ZINC000023010211 212342199 /nfs/dbraw/zinc/34/21/99/212342199.db2.gz LASHZQGUNUMALJ-UHFFFAOYSA-N 0 0 344.414 4.336 50 30 EIEARN Cc1cccc(/N=C2\NN=C(c3ccc(F)c(F)c3)CS2)c1C ZINC000020984713 212193461 /nfs/dbraw/zinc/19/34/61/212193461.db2.gz SNGVPMWWUWFFOZ-UHFFFAOYSA-N 0 0 331.391 4.310 50 30 EIEARN C[C@@H]1C[C@@H](C)CN(c2oc(/C=C/c3ccc(F)cc3)nc2C#N)C1 ZINC000020446588 212130031 /nfs/dbraw/zinc/13/00/31/212130031.db2.gz MQOHWBIUCZQJEN-QLNSKBQOSA-N 0 0 325.387 4.338 50 30 EIEARN Cc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)c(C#N)c(N)n2)cc1C ZINC000019891294 212079545 /nfs/dbraw/zinc/07/95/45/212079545.db2.gz MGFYRDGGUURHDF-UHFFFAOYSA-N 0 0 344.374 4.395 50 30 EIEARN COc1ccc(OC)c(-c2cc(-c3cccc(C)c3)c(C#N)c(N)n2)c1 ZINC000019879655 212078776 /nfs/dbraw/zinc/07/87/76/212078776.db2.gz REELNDOGSXZANF-UHFFFAOYSA-N 0 0 345.402 4.195 50 30 EIEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@H](c3cccs3)[C@@H]12 ZINC000019830958 212072566 /nfs/dbraw/zinc/07/25/66/212072566.db2.gz VNQPVGLEMOTYAH-ZWKOTPCHSA-N 0 0 333.412 4.154 50 30 EIEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000019772280 212064950 /nfs/dbraw/zinc/06/49/50/212064950.db2.gz DIAOOWNEGNTNMG-ADLMAVQZSA-N 0 0 345.464 4.058 50 30 EIEARN CCCc1nc(NC[C@H]2CCCO2)c(C#N)c2c1CSC(C)(C)C2 ZINC000019707015 212055537 /nfs/dbraw/zinc/05/55/37/212055537.db2.gz XABKKOPSDPTBOD-CYBMUJFWSA-N 0 0 345.512 4.065 50 30 EIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)C(C#N)=C1CCCCCN1 ZINC000018043165 211978415 /nfs/dbraw/zinc/97/84/15/211978415.db2.gz HCWQBECDABPINY-OOWUWCJESA-N 0 0 335.451 4.022 50 30 EIEARN CC(=O)Nc1cccc(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC000079101349 217193606 /nfs/dbraw/zinc/19/36/06/217193606.db2.gz FMDMUXAFMBYDBD-UHFFFAOYSA-N 0 0 336.395 4.090 50 30 EIEARN CC(C)CC(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000012753575 211444646 /nfs/dbraw/zinc/44/46/46/211444646.db2.gz VTTIOWNYKRESEC-UHFFFAOYSA-N 0 0 338.367 4.195 50 30 EIEARN Cc1cc(C)c2c(/N=C/c3ccc([N+](=O)[O-])cc3)c(C#N)sc2n1 ZINC000012446479 211385475 /nfs/dbraw/zinc/38/54/75/211385475.db2.gz ABSUNUJELPQSRC-DJKKODMXSA-N 0 0 336.376 4.444 50 30 EIEARN C=CCSc1ccccc1C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000009667400 211112733 /nfs/dbraw/zinc/11/27/33/211112733.db2.gz GAXSTINQGDURJT-UHFFFAOYSA-N 0 0 326.421 4.175 50 30 EIEARN Cc1c2c(n3c4ccccc4nc3c1C#N)N(C1CCCCC1)CC2 ZINC000009489428 211092022 /nfs/dbraw/zinc/09/20/22/211092022.db2.gz AUGTXJREFUZFOJ-UHFFFAOYSA-N 0 0 330.435 4.363 50 30 EIEARN N#Cc1ccc(C(=O)/C=C/c2ccc(Br)cc2F)cc1 ZINC000008513605 210960376 /nfs/dbraw/zinc/96/03/76/210960376.db2.gz KIOOHUNRXBSLAK-SOFGYWHQSA-N 0 0 330.156 4.356 50 30 EIEARN N#CCc1ccc(NC(=O)/C=C/c2ccccc2Br)cc1 ZINC000008126653 210897758 /nfs/dbraw/zinc/89/77/58/210897758.db2.gz NNURJXOTDOJPTD-JXMROGBWSA-N 0 0 341.208 4.167 50 30 EIEARN N#CCc1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 ZINC000007825011 210853155 /nfs/dbraw/zinc/85/31/55/210853155.db2.gz VXFOTOGSOGRNLN-UHFFFAOYSA-N 0 0 335.190 4.077 50 30 EIEARN N#Cc1ccc(OC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1 ZINC000007658191 210828208 /nfs/dbraw/zinc/82/82/08/210828208.db2.gz UTYFROMOKUQRGJ-UHFFFAOYSA-N 0 0 347.370 4.168 50 30 EIEARN COc1ccccc1NC(=O)N1CCCS/C1=N\C1CCCCC1 ZINC000007158629 210763581 /nfs/dbraw/zinc/76/35/81/210763581.db2.gz DGAKLOFCXXZVCE-HNENSFHCSA-N 0 0 347.484 4.355 50 30 EIEARN Cc1sc2ncnc(NN=C3c4cc(C)ccc4NC3=O)c2c1C ZINC000006685295 210680067 /nfs/dbraw/zinc/68/00/67/210680067.db2.gz ALTFIGPKFHHHGR-UHFFFAOYSA-N 0 0 337.408 4.034 50 30 EIEARN COc1ccc(OC)c(/C=C/C(=O)c2cccc(OC(F)F)c2)c1 ZINC000006641980 210667364 /nfs/dbraw/zinc/66/73/64/210667364.db2.gz KJGAPGKDWFDVLQ-SOFGYWHQSA-N 0 0 334.318 4.201 50 30 EIEARN N#Cc1c(NC(=O)Cc2c(F)cccc2Cl)sc2c1CCC2 ZINC000006580665 210656654 /nfs/dbraw/zinc/65/66/54/210656654.db2.gz HODATNZQKLHQHX-UHFFFAOYSA-N 0 0 334.803 4.082 50 30 EIEARN Cc1sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(C#N)c1C ZINC000006254865 210607269 /nfs/dbraw/zinc/60/72/69/210607269.db2.gz HGTRECYWQNARMY-UHFFFAOYSA-N 0 0 348.243 4.008 50 30 EIEARN CCOC(=O)c1c2cc(C#N)c(C#N)cc2oc1-c1ccc(C)cc1 ZINC000096336801 218744858 /nfs/dbraw/zinc/74/48/58/218744858.db2.gz FGMDJKSNODSVAM-UHFFFAOYSA-N 0 0 330.343 4.328 50 30 EIEARN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1ccccn1 ZINC000096416155 218776804 /nfs/dbraw/zinc/77/68/04/218776804.db2.gz JWXXCVRKQDLWSN-DOMZBBRYSA-N 0 0 332.325 4.155 50 30 EIEARN CN(Cc1ccco1)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC000096422063 218788685 /nfs/dbraw/zinc/78/86/85/218788685.db2.gz CFYUECQELWTJRO-UHFFFAOYSA-N 0 0 348.362 4.002 50 30 EIEARN N#Cc1ccc(C=Cc2nc(=O)c3c4c(sc3[nH]2)CCCCC4)cc1 ZINC000096791988 218890504 /nfs/dbraw/zinc/89/05/04/218890504.db2.gz LRHPWADYOVHBGD-KHPPLWFESA-N 0 0 347.443 4.296 50 30 EIEARN C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S ZINC000005112269 210391224 /nfs/dbraw/zinc/39/12/24/210391224.db2.gz YAIFLEPRFXXIFQ-RVDMUPIBSA-N 0 0 327.430 4.334 50 30 EIEARN COc1cc(/C=C/C(=O)c2ccc(Cl)s2)cc(OC)c1OC ZINC000005128662 210396625 /nfs/dbraw/zinc/39/66/25/210396625.db2.gz UOVXDRKFONQFJN-SNAWJCMRSA-N 0 0 338.812 4.323 50 30 EIEARN CN1c2ccccc2C(C)(C)/C1=C/C=C1/C(=O)Oc2ccccc2C1=O ZINC000005123805 210394582 /nfs/dbraw/zinc/39/45/82/210394582.db2.gz YLLQGZRQSRCGJQ-JGEPBQDUSA-N 0 0 345.398 4.026 50 30 biogenic EIEARN Cc1ccc2nc(Cl)c3cc(C(=O)N(C)CCC#N)sc3c2c1 ZINC000004961641 210340938 /nfs/dbraw/zinc/34/09/38/210340938.db2.gz JQWAKMVBFBFCEF-UHFFFAOYSA-N 0 0 343.839 4.397 50 30 EIEARN C=CCSC1=N/C(=C/c2ccsc2)C(=O)N1c1ccccc1 ZINC000004883151 210311574 /nfs/dbraw/zinc/31/15/74/210311574.db2.gz WUHQPPOOHPMQMH-RVDMUPIBSA-N 0 0 326.446 4.411 50 30 EIEARN COc1cc(C#N)cc(Br)c1OCc1ccc(C)cc1 ZINC000004821474 210288082 /nfs/dbraw/zinc/28/80/82/210288082.db2.gz VQNNMDWQIFAHTK-UHFFFAOYSA-N 0 0 332.197 4.217 50 30 EIEARN CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(Br)cc2)c1 ZINC000004823204 210287298 /nfs/dbraw/zinc/28/72/98/210287298.db2.gz OJXJHDASOHFTDX-JXMROGBWSA-N 0 0 344.208 4.304 50 30 EIEARN N#C[C@H](C(=O)c1ccc(Cl)c2ncccc12)c1nc2ccccc2[nH]1 ZINC000338627825 257931525 /nfs/dbraw/zinc/93/15/25/257931525.db2.gz XWZDHJNFGIOIHA-CYBMUJFWSA-N 0 0 346.777 4.255 50 30 EIEARN CCN(C(=O)c1cc(NC(=O)[C@@H](C)COC)ccc1Cl)C(C)C ZINC000328596356 258043212 /nfs/dbraw/zinc/04/32/12/258043212.db2.gz IRYDACXTRPMRTF-LBPRGKRZSA-N 0 0 340.851 4.081 50 30 EIEARN C=CCSc1nnc(NC(=O)Cc2coc3cc(C)ccc23)s1 ZINC000006809936 258044362 /nfs/dbraw/zinc/04/43/62/258044362.db2.gz VAIUTUCTTBFQID-UHFFFAOYSA-N 0 0 345.449 4.052 50 30 EIEARN C=CCn1cc(CN(Cc2ccsc2)Cc2cccnc2)c(C)n1 ZINC000055074737 258014621 /nfs/dbraw/zinc/01/46/21/258014621.db2.gz AMTVMTFGQJPBMU-UHFFFAOYSA-N 0 0 338.480 4.036 50 30 EIEARN C#CCn1c2ccccc2nc1SCCOc1cc(C)ccc1C ZINC000012062291 258018119 /nfs/dbraw/zinc/01/81/19/258018119.db2.gz ZAOMMZSUIRMTFB-UHFFFAOYSA-N 0 0 336.460 4.457 50 30 EIEARN N#CCOc1ccc(C(=O)/C=C/c2cccc(Br)c2)cc1 ZINC000006930969 258052290 /nfs/dbraw/zinc/05/22/90/258052290.db2.gz HLGHJUBLYNNYMH-RUDMXATFSA-N 0 0 342.192 4.248 50 30 EIEARN C#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681667 258067309 /nfs/dbraw/zinc/06/73/09/258067309.db2.gz QRRGZVPIVBHZCM-UHFFFAOYSA-N 0 0 344.070 4.358 50 30 EIEARN CCCCCCCCCOc1ccc(/C(C)=N\NC(N)=S)cc1 ZINC000100471020 258068774 /nfs/dbraw/zinc/06/87/74/258068774.db2.gz RIPRNAROYJVUMZ-HKWRFOASSA-N 0 0 335.517 4.373 50 30 EIEARN COc1cc(/C=C2/S/C(=N\c3ccccc3)N(C)C2=O)ccc1C ZINC000101513188 258069116 /nfs/dbraw/zinc/06/91/16/258069116.db2.gz OTMBZSOOILDUPC-QHHAONBESA-N 0 0 338.432 4.237 50 30 EIEARN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N(C)[C@H](C)C1CCCCC1 ZINC000328586296 262516274 /nfs/dbraw/zinc/51/62/74/262516274.db2.gz UKSNJDKSHAZOHV-ZBFHGGJFSA-N 0 0 347.507 4.051 50 30 EIEARN c1ccc(-c2cnnc(N=NCc3ccc4ccccc4c3)n2)cc1 ZINC000005378801 518378255 /nfs/dbraw/zinc/37/82/55/518378255.db2.gz BLGKORKZCFZPSW-FYJGNVAPSA-N 0 0 325.375 4.138 50 30 EIEARN CC(=O)c1cccc(N=Cc2ccc(OC(=O)c3ccccn3)cc2)c1 ZINC000100816329 518414236 /nfs/dbraw/zinc/41/42/36/518414236.db2.gz PHVOVZCEUYIDPD-OEAKJJBVSA-N 0 0 344.370 4.254 50 30 EIEARN C/N=C(\SCC(=O)c1ccccc1)c1c(C)n(C)c2ccccc21 ZINC000000385710 518571976 /nfs/dbraw/zinc/57/19/76/518571976.db2.gz LJLLICZTGQVAMQ-MRCUWXFGSA-N 0 0 336.460 4.479 50 30 EIEARN C=C(C)CN(CC)C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000003364782 518592837 /nfs/dbraw/zinc/59/28/37/518592837.db2.gz GPUJVCCJQHMUFI-UHFFFAOYSA-N 0 0 334.419 4.029 50 30 EIEARN C=C(C)Cn1c(C(=O)NCc2cccc(F)c2)cc2sccc21 ZINC000037587543 518638080 /nfs/dbraw/zinc/63/80/80/518638080.db2.gz AQXUHHQRCPRLOO-UHFFFAOYSA-N 0 0 328.412 4.348 50 30 EIEARN C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccncc1 ZINC000000530956 519242361 /nfs/dbraw/zinc/24/23/61/519242361.db2.gz DRPJYVLMAYHOIJ-UHFFFAOYSA-N 0 0 342.855 4.472 50 30 EIEARN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000284112130 519654069 /nfs/dbraw/zinc/65/40/69/519654069.db2.gz YTDZKKCKJDMIDZ-FQEVSTJZSA-N 0 0 346.430 4.056 50 30 EIEARN CCCSC1=N/C(=C\c2cccc(OCC)c2OC)C(=O)S1 ZINC000004906423 520548062 /nfs/dbraw/zinc/54/80/62/520548062.db2.gz MSXKHQNSBQKEAR-BENRWUELSA-N 0 0 337.466 4.207 50 30 EIEARN COc1ccc(-c2csc(N=NCc3ccccc3Cl)n2)cc1 ZINC000033790498 523159702 /nfs/dbraw/zinc/15/97/02/523159702.db2.gz SEDUZIIUMXSMRA-VXLYETTFSA-N 0 0 343.839 4.340 50 30 EIEARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C[C@H](C#N)CCC#N ZINC000025231437 523193030 /nfs/dbraw/zinc/19/30/30/523193030.db2.gz QFWFUSDQZSTXQQ-AWEZNQCLSA-N 0 0 327.815 4.475 50 30 EIEARN Cc1ccc(CC[C@H](C)[NH+]=C([O-])N2CCC[C@H](c3nccs3)C2)o1 ZINC000328587324 524347491 /nfs/dbraw/zinc/34/74/91/524347491.db2.gz APGPBIUSJPFXAB-ZFWWWQNUSA-N 0 0 347.484 4.159 50 30 EIEARN Cc1cc(C)cc(OCc2ccc(/C=C/C(=O)c3ccnn3C)o2)c1 ZINC000006922063 524452657 /nfs/dbraw/zinc/45/26/57/524452657.db2.gz JIEUQGVJWFLLAC-VOTSOKGWSA-N 0 0 336.391 4.105 50 30 EIEARN Cc1ccc(CN=Nc2cc(C)nc(NCc3ccccc3)n2)cc1 ZINC000004812263 525963987 /nfs/dbraw/zinc/96/39/87/525963987.db2.gz CXDSOCHVMVPCDW-HYARGMPZSA-N 0 0 331.423 4.152 50 30 EIEARN S=c1[nH]ncn1N=Cc1ccccc1OCc1ccccc1Cl ZINC000005731313 526388532 /nfs/dbraw/zinc/38/85/32/526388532.db2.gz NMAIZEPAHQCDGS-DJKKODMXSA-N 0 0 344.827 4.055 50 30 EIEARN N#Cc1c2nc3ccccc3n2c(N2CCCCC2)c2c1CCCC2 ZINC000000085692 526533274 /nfs/dbraw/zinc/53/32/74/526533274.db2.gz OFPXZUWTICLNFW-UHFFFAOYSA-N 0 0 330.435 4.228 50 30 EIEARN Clc1ccc(CN=Nc2nccc(-c3cccnc3)n2)c(Cl)c1 ZINC000004366382 526940743 /nfs/dbraw/zinc/94/07/43/526940743.db2.gz LUXSREKVEGZDDM-UFFVCSGVSA-N 0 0 344.205 4.291 50 30 EIEARN O=C(/C=C\c1ccccc1Cl)c1ccc(N2CCOCC2)c(F)c1 ZINC000096765514 527657799 /nfs/dbraw/zinc/65/77/99/527657799.db2.gz JSUCLJHOCFSAIO-VURMDHGXSA-N 0 0 345.801 4.212 50 30 EIEARN CCOC(=O)c1sc(=Nc2ccc(Cl)c(Cl)c2)[nH]c1C ZINC000102915822 563983285 /nfs/dbraw/zinc/98/32/85/563983285.db2.gz KJBNRWAVJKJRJE-XSKXUOKSSA-N 0 0 331.224 4.120 50 30 EIEARN C=C(Cl)CSCc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012985453 564085781 /nfs/dbraw/zinc/08/57/81/564085781.db2.gz CDUMLPPLCMANGZ-UHFFFAOYSA-N 0 0 338.841 4.230 50 30 EIEARN COc1ccc([C@@H](C#N)c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000000168577 563249954 /nfs/dbraw/zinc/24/99/54/563249954.db2.gz OJPMQXDPMGPQGW-GFCCVEGCSA-N 0 0 326.705 4.418 50 30 EIEARN CC1(C)CC(=O)C(=CNc2ncc(C(F)(F)F)cc2Cl)C(=O)C1 ZINC000000083798 563219309 /nfs/dbraw/zinc/21/93/09/563219309.db2.gz DZTSSJKHLIDAEV-UHFFFAOYSA-N 0 0 346.736 4.008 50 30 EIEARN CCOC(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 ZINC000000100538 563225994 /nfs/dbraw/zinc/22/59/94/563225994.db2.gz DCSDSJNZJDYEPJ-VCHYOVAHSA-N 0 0 348.196 4.082 50 30 EIEARN Clc1cccc(Cl)c1/C=N/N1CCN(c2ccccc2)CC1 ZINC000000136442 563240548 /nfs/dbraw/zinc/24/05/48/563240548.db2.gz BKWAWXYJIOMNMF-DEDYPNTBSA-N 0 0 334.250 4.150 50 30 EIEARN COc1ccc(/C=N/C2=NN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000000193978 563257322 /nfs/dbraw/zinc/25/73/22/563257322.db2.gz UGUKPONAMGPFML-WSDLNYQXSA-N 0 0 347.340 4.357 50 30 EIEARN CCOC(=O)c1c(C)c(C)sc1/N=C/c1ccc(N(C)C)cc1 ZINC000000236749 563264069 /nfs/dbraw/zinc/26/40/69/563264069.db2.gz UIFACWCXZCEDKG-YBFXNURJSA-N 0 0 330.453 4.358 50 30 EIEARN CCOC(=O)c1ccccc1NC=CC(=O)c1ccc(Cl)cc1 ZINC000000305439 563277750 /nfs/dbraw/zinc/27/77/50/563277750.db2.gz KXPRVRLAHDLCRV-VAWYXSNFSA-N 0 0 329.783 4.325 50 30 EIEARN Cc1ccc2c(c1Br)/C(=N/c1ccc(Cl)cc1)C(=O)N2 ZINC000000342663 563286907 /nfs/dbraw/zinc/28/69/07/563286907.db2.gz YTBAPCVGZWWMJP-UHFFFAOYSA-N 0 0 349.615 4.484 50 30 EIEARN CCN(CC)c1ccc(/C=N/c2cc([N+](=O)[O-])ccc2F)c(O)c1 ZINC000000357916 563291571 /nfs/dbraw/zinc/29/15/71/563291571.db2.gz XTQZXKFOKDNAJV-YBFXNURJSA-N 0 0 331.347 4.036 50 30 EIEARN NC(=O)COc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1 ZINC000000361381 563293996 /nfs/dbraw/zinc/29/39/96/563293996.db2.gz IPKFEEOMICJMTC-OEAKJJBVSA-N 0 0 345.402 4.045 50 30 EIEARN O/N=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000000446087 563317014 /nfs/dbraw/zinc/31/70/14/563317014.db2.gz DSCJGPNVYSAHOS-VCHYOVAHSA-N 0 0 342.196 4.110 50 30 EIEARN CCOc1cccc(/C=N/c2cc(Cl)c(OC)cc2OC)c1O ZINC000005288583 563525617 /nfs/dbraw/zinc/52/56/17/563525617.db2.gz GMUFCUQOHPPJGS-VXLYETTFSA-N 0 0 335.787 4.212 50 30 EIEARN CCc1n([C@H](/C(C)=N/O)c2ccccc2)c(-c2ccccc2)c(C)[n+]1[O-] ZINC000005471868 563533983 /nfs/dbraw/zinc/53/39/83/563533983.db2.gz BQCOZPJAWPMGKK-INKLHFNDSA-N 0 0 349.434 4.099 50 30 EIEARN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(CC#N)cc1 ZINC000012380802 563659118 /nfs/dbraw/zinc/65/91/18/563659118.db2.gz JJRWXDKOADHCDR-OAHLLOKOSA-N 0 0 330.387 4.312 50 30 EIEARN COc1ccc2c(c1)CCC2=NOC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004351940 563664358 /nfs/dbraw/zinc/66/43/58/563664358.db2.gz CUFLJWWCWDOMKX-UHFFFAOYSA-N 0 0 339.435 4.105 50 30 EIEARN C=CCc1cccc(/C=N/c2cc(Br)ccc2O)c1O ZINC000013126836 563689586 /nfs/dbraw/zinc/68/95/86/563689586.db2.gz AVBMFCOVWKTUBV-VCHYOVAHSA-N 0 0 332.197 4.339 50 30 EIEARN COCCCNC(=S)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000013572074 563702544 /nfs/dbraw/zinc/70/25/44/563702544.db2.gz TXWILQAJCIIIRA-UHFFFAOYSA-N 0 0 346.471 4.150 50 30 EIEARN C=CCN(Cn1nc(C)n(CC=C)c1=S)[C@H]1CCc2ccccc21 ZINC000032916163 563814037 /nfs/dbraw/zinc/81/40/37/563814037.db2.gz 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/nfs/dbraw/zinc/97/31/03/563973103.db2.gz KBVMMDGWSWHDHK-UHFFFAOYSA-N 0 0 346.390 4.120 50 30 EIEARN CCOc1cc(C=C2CCCC(C(=O)C(F)(F)F)=C2O)ccc1O ZINC000033317407 563973649 /nfs/dbraw/zinc/97/36/49/563973649.db2.gz ADVUXHUTICCYDS-HLHGXTSASA-N 0 0 342.313 4.302 50 30 EIEARN COC[C@@H](C)c1nc(-c2cn(CCC#N)c3ccccc23)cs1 ZINC000129550462 563974153 /nfs/dbraw/zinc/97/41/53/563974153.db2.gz PJUIWVOZEAGSCC-CYBMUJFWSA-N 0 0 325.437 4.428 50 30 EIEARN Cc1cc2cc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)ccc2[nH]1 ZINC000043844490 563975155 /nfs/dbraw/zinc/97/51/55/563975155.db2.gz OBPLWGPMUZNOEF-UHFFFAOYSA-N 0 0 344.374 4.292 50 30 EIEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@@H](c3ccc(F)cc3)[C@H]12 ZINC000095482967 563976954 /nfs/dbraw/zinc/97/69/54/563976954.db2.gz CMYNHMJHHPXPAW-QUCCMNQESA-N 0 0 345.373 4.232 50 30 EIEARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(CC#N)cc1 ZINC000000100169 563983146 /nfs/dbraw/zinc/98/31/46/563983146.db2.gz AHUYHWFGXXPXJM-ZDUSSCGKSA-N 0 0 328.799 4.121 50 30 EIEARN CSc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1C#N ZINC000003104727 563983415 /nfs/dbraw/zinc/98/34/15/563983415.db2.gz YBRBCSVPWXWCHI-UHFFFAOYSA-N 0 0 338.766 4.464 50 30 EIEARN N#CCSc1ccccc1NC(=O)CSc1ccc(Cl)cn1 ZINC000119755565 563983660 /nfs/dbraw/zinc/98/36/60/563983660.db2.gz YEBQUABLMULKML-UHFFFAOYSA-N 0 0 349.868 4.081 50 30 EIEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)CC3)cc1 ZINC000000169010 563987512 /nfs/dbraw/zinc/98/75/12/563987512.db2.gz HPPXAOAYJFQKKK-NSHDSACASA-N 0 0 326.421 4.005 50 30 EIEARN COc1ccc([C@]2(C#N)CCc3c4ccccc4[nH]c3C2)cc1OC ZINC000000186792 563988051 /nfs/dbraw/zinc/98/80/51/563988051.db2.gz BLUPUXFRAOZHHQ-OAQYLSRUSA-N 0 0 332.403 4.135 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000000203588 563988441 /nfs/dbraw/zinc/98/84/41/563988441.db2.gz OJSNWNBFTVZHNE-MAUKXSAKSA-N 0 0 344.407 4.207 50 30 EIEARN O=C1/C(=C/c2ccc(N3CCOCC3)cc2)CC[C@@H]1C1CCCC1 ZINC000000247897 563989406 /nfs/dbraw/zinc/98/94/06/563989406.db2.gz CGGKXHHIJSCQMB-PHKMIBKXSA-N 0 0 325.452 4.076 50 30 EIEARN COc1cc(OC)c(OC)cc1/C=C1\CC[C@@H](C2CCCC2)C1=O ZINC000000247839 563989418 /nfs/dbraw/zinc/98/94/18/563989418.db2.gz XSCVLDRGNPYDAT-DKGMDFAASA-N 0 0 330.424 4.265 50 30 EIEARN N#Cc1c(N)c(C(=O)c2ccccc2)sc1Nc1ccccc1C#N ZINC000000256633 563989592 /nfs/dbraw/zinc/98/95/92/563989592.db2.gz AXXNZFNIHHADCM-UHFFFAOYSA-N 0 0 344.399 4.048 50 30 EIEARN CCCCn1c2ccc(C#N)cc2nc1-c1ccc(OC)c(OC)c1 ZINC000033559250 563992644 /nfs/dbraw/zinc/99/26/44/563992644.db2.gz AAWBXUQYAFSTOH-UHFFFAOYSA-N 0 0 335.407 4.392 50 30 EIEARN N#Cc1cc([N+](=O)[O-])ccc1N[C@H](c1ccccc1)c1ccccn1 ZINC000024153875 563996166 /nfs/dbraw/zinc/99/61/66/563996166.db2.gz ZQTUSRXHEXOJRN-LJQANCHMSA-N 0 0 330.347 4.063 50 30 EIEARN Cc1cc(=NN=Cc2ccc(OC(F)F)cc2)[nH]c2ccccc12 ZINC000252627457 563997970 /nfs/dbraw/zinc/99/79/70/563997970.db2.gz RUPASELBEUFIOL-UHFFFAOYSA-N 0 0 327.334 4.013 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc(CC)cc1 ZINC000000428099 563998848 /nfs/dbraw/zinc/99/88/48/563998848.db2.gz AHWDGCDFAHQUDG-FXAWDEMLSA-N 0 0 338.403 4.161 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccccc1Cl ZINC000000428100 563998865 /nfs/dbraw/zinc/99/88/65/563998865.db2.gz KANHWBFBHPFEDX-KDOFPFPSSA-N 0 0 344.794 4.252 50 30 EIEARN O=C(Cc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccccc1 ZINC000136167661 564001453 /nfs/dbraw/zinc/00/14/53/564001453.db2.gz OFADPSWJJOKKDE-QNGOZBTKSA-N 0 0 340.382 4.483 50 30 EIEARN CSc1cccc2sc(NC(=O)c3ccc(C#N)cc3)nc21 ZINC000005299227 564002499 /nfs/dbraw/zinc/00/24/99/564002499.db2.gz MFEQIMRCQKPDEC-UHFFFAOYSA-N 0 0 325.418 4.142 50 30 EIEARN COc1cccc(Nc2nc(SC)nc(-c3ccccc3)c2C#N)c1 ZINC000005509610 564004831 /nfs/dbraw/zinc/00/48/31/564004831.db2.gz OQHRYKQVCZKKNS-UHFFFAOYSA-N 0 0 348.431 4.489 50 30 EIEARN CC(C)c1ccc(/C=C2\S/C(=N\c3ccccc3O)NC2=O)cc1 ZINC000005522835 564005055 /nfs/dbraw/zinc/00/50/55/564005055.db2.gz SNQJHNVIRIYKOF-BOPFTXTBSA-N 0 0 338.432 4.407 50 30 EIEARN Cc1ccc(/N=C2/C(=O)Nc3ccc(Br)cc32)c(C)c1 ZINC000005531174 564005139 /nfs/dbraw/zinc/00/51/39/564005139.db2.gz RCWGSYIGWGBQEV-UHFFFAOYSA-N 0 0 329.197 4.139 50 30 EIEARN CSc1nc(NCc2ccco2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000005607397 564006256 /nfs/dbraw/zinc/00/62/56/564006256.db2.gz VVSBDRCBYDWMFN-UHFFFAOYSA-N 0 0 336.420 4.251 50 30 EIEARN COc1ccccc1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000005638307 564006900 /nfs/dbraw/zinc/00/69/00/564006900.db2.gz HWSSQCOUKPNOGU-UHFFFAOYSA-N 0 0 329.355 4.453 50 30 EIEARN N#C[C@]1(c2nc3ccccc3s2)Cc2ccccc2N2CCC[C@@H]21 ZINC000005660267 564007359 /nfs/dbraw/zinc/00/73/59/564007359.db2.gz ZAVKEDXRHDPPNB-UYAOXDASSA-N 0 0 331.444 4.283 50 30 EIEARN CCOC(=O)c1ccc(Nc2c(C#N)cnc3ccc(F)cc32)cc1 ZINC000017306597 564011574 /nfs/dbraw/zinc/01/15/74/564011574.db2.gz ZGMJGGAJFUXNNY-UHFFFAOYSA-N 0 0 335.338 4.166 50 30 EIEARN Cc1nc2cc(/N=C/c3ccc(Br)cc3)ccc2n1C ZINC000018066676 564017878 /nfs/dbraw/zinc/01/78/78/564017878.db2.gz QKNCZCOVFGWMCT-VCHYOVAHSA-N 0 0 328.213 4.395 50 30 EIEARN COc1ccccc1OCc1nc(C#N)c(N[C@H](C)c2ccccc2)o1 ZINC000000527633 564021266 /nfs/dbraw/zinc/02/12/66/564021266.db2.gz FWOZASBOPBFVQZ-CQSZACIVSA-N 0 0 349.390 4.307 50 30 EIEARN O=C1c2ccc(OCc3ccc(F)cc3)cc2O/C1=C\c1cccnc1 ZINC000000544069 564022648 /nfs/dbraw/zinc/02/26/48/564022648.db2.gz ZUSLEKYLPUHYCE-JMIUGGIZSA-N 0 0 347.345 4.416 50 30 EIEARN N#Cc1ccc(Cn2cc(C(=O)c3ccco3)c3ccccc32)cc1 ZINC000000560605 564023252 /nfs/dbraw/zinc/02/32/52/564023252.db2.gz ISWWCFBTOVAVLH-UHFFFAOYSA-N 0 0 326.355 4.385 50 30 EIEARN COc1ccc(OC)c(C(=O)C=CNc2ccc(Cl)cc2C)c1 ZINC000051318584 564024471 /nfs/dbraw/zinc/02/44/71/564024471.db2.gz PYVZQAFSILPZRP-CMDGGOBGSA-N 0 0 331.799 4.474 50 30 EIEARN O=C(C=CNc1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000044842696 564027361 /nfs/dbraw/zinc/02/73/61/564027361.db2.gz NGYGNINKEGBXRQ-BQYQJAHWSA-N 0 0 335.281 4.243 50 30 EIEARN Cc1n[nH]c(C)c1NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000108654100 564028431 /nfs/dbraw/zinc/02/84/31/564028431.db2.gz VCURQINJYNENDT-UHFFFAOYSA-N 0 0 347.378 4.335 50 30 EIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)C3CCCC3)c2)c1 ZINC000025048426 564052641 /nfs/dbraw/zinc/05/26/41/564052641.db2.gz YRNYQWNFHTVHPS-UHFFFAOYSA-N 0 0 347.414 4.002 50 30 EIEARN O=C1CCCC2=C1[C@H](c1ccccc1)CC(=O)N2c1ccccc1F ZINC000001079901 564054316 /nfs/dbraw/zinc/05/43/16/564054316.db2.gz FFIAYGINODNWSI-HNNXBMFYSA-N 0 0 335.378 4.353 50 30 EIEARN O=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1ccccc1F ZINC000001079509 564054339 /nfs/dbraw/zinc/05/43/39/564054339.db2.gz BZSUJOLHVPJFRZ-LBPRGKRZSA-N 0 0 341.407 4.415 50 30 EIEARN O=C1CCCC2=C1[C@@H](c1cccs1)CC(=O)N2c1ccccc1F ZINC000001079507 564054355 /nfs/dbraw/zinc/05/43/55/564054355.db2.gz BZSUJOLHVPJFRZ-GFCCVEGCSA-N 0 0 341.407 4.415 50 30 EIEARN Cc1ccc(CC(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cc1 ZINC000082076649 564056070 /nfs/dbraw/zinc/05/60/70/564056070.db2.gz XEAIXYICWIKIAM-AWEZNQCLSA-N 0 0 326.783 4.188 50 30 EIEARN N#Cc1ccc(CSc2nncn2-c2cccc(Cl)c2)cc1 ZINC000005891929 564056818 /nfs/dbraw/zinc/05/68/18/564056818.db2.gz GNRAFZVXZWGMNC-UHFFFAOYSA-N 0 0 326.812 4.085 50 30 EIEARN C=CCN(C(=O)c1csc(C)n1)c1nc(-c2ccccc2)cs1 ZINC000058217479 564065258 /nfs/dbraw/zinc/06/52/58/564065258.db2.gz FBXSCDQLXGDZGS-UHFFFAOYSA-N 0 0 341.461 4.408 50 30 EIEARN C=CCNC(=O)Nc1ccc(NC(=O)c2sccc2C2CC2)cc1 ZINC000058329295 564065318 /nfs/dbraw/zinc/06/53/18/564065318.db2.gz ZEVSJIYHHLXPJG-UHFFFAOYSA-N 0 0 341.436 4.185 50 30 EIEARN Cc1oc(-c2ccccc2)nc1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000084052418 564065960 /nfs/dbraw/zinc/06/59/60/564065960.db2.gz RIOHEVRPYGENEZ-UHFFFAOYSA-N 0 0 348.406 4.331 50 30 EIEARN C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000001450900 564072887 /nfs/dbraw/zinc/07/28/87/564072887.db2.gz DUDQDRNJRIWEEJ-WDZFZDKYSA-N 0 0 330.261 4.381 50 30 EIEARN C=CCN1COc2c(C)c3oc(=O)cc(-c4ccccc4)c3cc2C1 ZINC000013654796 564073926 /nfs/dbraw/zinc/07/39/26/564073926.db2.gz UOVUKUSLJAJLSA-UHFFFAOYSA-N 0 0 333.387 4.106 50 30 biogenic EIEARN CN(C)c1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000005208007 564074007 /nfs/dbraw/zinc/07/40/07/564074007.db2.gz QNEOGHCWUNGKHP-UXBLZVDNSA-N 0 0 330.771 4.210 50 30 EIEARN C=C(C)CSc1nc2sc3c(c2c(N)n1)C[C@@](C)(CC)OC3 ZINC000000447343 564074617 /nfs/dbraw/zinc/07/46/17/564074617.db2.gz FVBRBCFOHWLIGZ-MRXNPFEDSA-N 0 0 335.498 4.183 50 30 EIEARN COc1ccc2c(CC(=O)Nc3n[nH]c(-c4ccccc4)n3)coc2c1 ZINC000012823970 564074848 /nfs/dbraw/zinc/07/48/48/564074848.db2.gz KPTBWKMYBCKBEP-UHFFFAOYSA-N 0 0 348.362 4.057 50 30 EIEARN C=CCn1c(Sc2nccc(C)n2)nnc1-c1cccc(Cl)c1 ZINC000151761341 564076593 /nfs/dbraw/zinc/07/65/93/564076593.db2.gz UDCWWXBXOYSAGM-UHFFFAOYSA-N 0 0 343.843 4.034 50 30 EIEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000012926543 564078510 /nfs/dbraw/zinc/07/85/10/564078510.db2.gz KOAQSSKRLBZIDX-JKSUJKDBSA-N 0 0 344.414 4.356 50 30 EIEARN S=C1N=NC(c2cccc(Cl)c2)N1N=CC=Cc1ccco1 ZINC000006191592 564078674 /nfs/dbraw/zinc/07/86/74/564078674.db2.gz CAWBPPIPRCVYLQ-BIDZZBNBSA-N 0 0 330.800 4.028 50 30 EIEARN CN(C)c1ccc(C=C2CCCC(C(=O)C(F)(F)F)=C2O)cc1 ZINC000016267166 564081130 /nfs/dbraw/zinc/08/11/30/564081130.db2.gz NDHYTYCZKIARRD-QFWNJNRPSA-N 0 0 325.330 4.263 50 30 EIEARN CCOc1cccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c1 ZINC000075284399 564081515 /nfs/dbraw/zinc/08/15/15/564081515.db2.gz YUTBCXLMTYJBBX-LFIBNONCSA-N 0 0 342.395 4.116 50 30 EIEARN Cc1c(Cn2ccnc2-c2cc(C#CCO)cs2)oc2ccccc12 ZINC000082097792 564091122 /nfs/dbraw/zinc/09/11/22/564091122.db2.gz LIQIJIOEWZDDOI-UHFFFAOYSA-N 0 0 348.427 4.058 50 30 EIEARN Cc1ccc(C[C@H](C#N)Sc2nc3ccccc3n2CCC#N)cc1 ZINC000006589001 564092395 /nfs/dbraw/zinc/09/23/95/564092395.db2.gz UFORPTQSLCMRDX-QGZVFWFLSA-N 0 0 346.459 4.485 50 30 EIEARN CC(C)c1ccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)cc1 ZINC000005860384 564093344 /nfs/dbraw/zinc/09/33/44/564093344.db2.gz BDRUICIBOXWDDN-RGVLZGJSSA-N 0 0 340.427 4.379 50 30 EIEARN N#Cc1ccccc1Cn1cc(C=O)c2cc(Br)ccc21 ZINC000006615631 564094480 /nfs/dbraw/zinc/09/44/80/564094480.db2.gz HVOGEATTWZSMPK-UHFFFAOYSA-N 0 0 339.192 4.136 50 30 EIEARN CCOc1ncccc1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000006613151 564094525 /nfs/dbraw/zinc/09/45/25/564094525.db2.gz DZVDVJQZTWCPCB-UHFFFAOYSA-N 0 0 344.370 4.238 50 30 EIEARN N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1ccco1 ZINC000006668279 564095558 /nfs/dbraw/zinc/09/55/58/564095558.db2.gz SYKSCMREYCELFV-UHFFFAOYSA-N 0 0 348.427 4.275 50 30 EIEARN Cc1cc(O)cc2c1C(=O)/C(=C/c1ccc(Br)cc1)O2 ZINC000006670007 564095752 /nfs/dbraw/zinc/09/57/52/564095752.db2.gz HGTSLZQIPGEENR-AUWJEWJLSA-N 0 0 331.165 4.079 50 30 EIEARN C=CCOc1ccc(-c2nc3c(c(=O)[nH]2)Cc2ccccc2O3)cc1 ZINC000006748560 564097076 /nfs/dbraw/zinc/09/70/76/564097076.db2.gz WUWSUFBOGAXAAA-UHFFFAOYSA-N 0 0 332.359 4.111 50 30 EIEARN N#CC(C(=O)C1c2ccccc2Oc2ccccc21)c1ccccn1 ZINC000006831268 564099161 /nfs/dbraw/zinc/09/91/61/564099161.db2.gz HNGNLLARLWHQII-MRXNPFEDSA-N 0 0 326.355 4.196 50 30 EIEARN Cc1ccc(-c2nc(C(=O)Nc3ccc(C#N)cc3)cs2)s1 ZINC000065086486 564100876 /nfs/dbraw/zinc/10/08/76/564100876.db2.gz WFNQUHUDINOSOX-UHFFFAOYSA-N 0 0 325.418 4.304 50 30 EIEARN N#Cc1cnc(Cl)c(NC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000170601474 564109302 /nfs/dbraw/zinc/10/93/02/564109302.db2.gz OIXYHMYAWVIMLE-UHFFFAOYSA-N 0 0 340.597 4.095 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccsc1 ZINC000170618109 564110131 /nfs/dbraw/zinc/11/01/31/564110131.db2.gz CNKJAIIDFUIMKZ-GDBMZVCRSA-N 0 0 332.446 4.129 50 30 EIEARN Cc1onc(-c2ccccc2)c1C(=O)Nc1sc(C)c(C)c1C#N ZINC000017070888 564116357 /nfs/dbraw/zinc/11/63/57/564116357.db2.gz SOHVYGDUUBMOIL-UHFFFAOYSA-N 0 0 337.404 4.452 50 30 EIEARN O=[N+]([O-])c1ccc(F)c(N=Cc2ccc(Br)s2)c1 ZINC000252460843 564118676 /nfs/dbraw/zinc/11/86/76/564118676.db2.gz INRYJDWMBCFEKD-UHFFFAOYSA-N 0 0 329.150 4.309 50 30 EIEARN C=CCN(Cc1cccs1)C(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000252481475 564119161 /nfs/dbraw/zinc/11/91/61/564119161.db2.gz CMUYYRBKLCIBHG-KRWDZBQOSA-N 0 0 325.433 4.023 50 30 EIEARN COc1ccc(C(=O)C(C#N)=NNc2c(Cl)cccc2Cl)cc1 ZINC000252608506 564121340 /nfs/dbraw/zinc/12/13/40/564121340.db2.gz HKUXVNOSUCDVFS-UHFFFAOYSA-N 0 0 348.189 4.176 50 30 EIEARN COc1cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)ccc1C ZINC000252623536 564122964 /nfs/dbraw/zinc/12/29/64/564122964.db2.gz OTMBZSOOILDUPC-HDTIWSQQSA-N 0 0 338.432 4.237 50 30 EIEARN CCOc1ccc(N=C2S/C(=C/c3ccco3)C(=O)N2CC)cc1 ZINC000252629850 564123529 /nfs/dbraw/zinc/12/35/29/564123529.db2.gz UOVJVXIHQBNZAL-UXXGDZGPSA-N 0 0 342.420 4.302 50 30 EIEARN CN(C)c1ccc(CC=CN=NC2=NC(C)(C)Cc3ccccc32)cc1 ZINC000252630175 564123551 /nfs/dbraw/zinc/12/35/51/564123551.db2.gz UWOSJUZJGCQFTD-RORXCZPGSA-N 0 0 346.478 4.123 50 30 EIEARN COc1ccc(C=Nc2ccccc2C(=O)Nc2nccs2)cc1 ZINC000252634186 564124502 /nfs/dbraw/zinc/12/45/02/564124502.db2.gz WKULHYSUBMDHEC-UHFFFAOYSA-N 0 0 337.404 4.155 50 30 EIEARN C=CCSc1nc2sc3c(c2c(=O)n1CC=C)CC[C@H](C)C3 ZINC000002292625 564131725 /nfs/dbraw/zinc/13/17/25/564131725.db2.gz HUOANRFKJLNABX-NSHDSACASA-N 0 0 332.494 4.047 50 30 EIEARN CC(C)(C)c1cc(NC(=O)CSCc2cccnc2)c(C#N)s1 ZINC000154257239 564132048 /nfs/dbraw/zinc/13/20/48/564132048.db2.gz JALCGOOQUCUBPL-UHFFFAOYSA-N 0 0 345.493 4.184 50 30 EIEARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C#N)c1 ZINC000000096467 564132821 /nfs/dbraw/zinc/13/28/21/564132821.db2.gz YTHLVBWZGCZKCS-JTQLQIEISA-N 0 0 335.190 4.271 50 30 EIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3c(F)cccc3F)sc2C1 ZINC000000484211 564133307 /nfs/dbraw/zinc/13/33/07/564133307.db2.gz HVQZFCRCKCXUHD-SECBINFHSA-N 0 0 332.375 4.275 50 30 EIEARN CC(C)(C)OC(=O)CSc1nc(-c2ccccc2)ccc1C#N ZINC000000614427 564133472 /nfs/dbraw/zinc/13/34/72/564133472.db2.gz YQHSHPHSCVXJHO-UHFFFAOYSA-N 0 0 326.421 4.054 50 30 EIEARN COc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C#N ZINC000000615568 564133492 /nfs/dbraw/zinc/13/34/92/564133492.db2.gz SZDKJYIKLJJXMH-VOTSOKGWSA-N 0 0 344.754 4.047 50 30 EIEARN CCOC(=O)N1C/C(=C/c2ccccc2)C(=O)/C(=C\c2ccccc2)C1 ZINC000013139348 564136096 /nfs/dbraw/zinc/13/60/96/564136096.db2.gz DJIOYGAIBLADNB-AXPXABNXSA-N 0 0 347.414 4.195 50 30 EIEARN CCC[C@@H]1CCc2c(C#N)c(NC(=O)c3ccncc3)sc2C1 ZINC000013327321 564136204 /nfs/dbraw/zinc/13/62/04/564136204.db2.gz UXXSKBUKNHQVEQ-GFCCVEGCSA-N 0 0 325.437 4.172 50 30 EIEARN Cc1sc(NC(=O)[C@@H]2CCCO2)c(C#N)c1-c1ccc(C)cc1 ZINC000013327719 564136214 /nfs/dbraw/zinc/13/62/14/564136214.db2.gz UQIMHCXEXYZOLW-HNNXBMFYSA-N 0 0 326.421 4.021 50 30 EIEARN O=C(C[C@@H]1CCCCC(=O)N1)Nc1ccccc1[C@H](O)C(F)(F)F ZINC000328588065 564136596 /nfs/dbraw/zinc/13/65/96/564136596.db2.gz OQGIAGFGJKWCMZ-BONVTDFDSA-N 0 0 344.333 4.160 50 30 EIEARN COc1ccc(CC(=O)O[C@H](C(=O)Nc2ccccc2)C(C)C)cc1 ZINC000328590560 564136717 /nfs/dbraw/zinc/13/67/17/564136717.db2.gz WBVHIFADWSDWNW-IBGZPJMESA-N 0 0 341.407 4.094 50 30 EIEARN CCC(CC)n1ncc(C(=O)NCc2nc3cc(F)ccc3o2)c1C ZINC000328593646 564136807 /nfs/dbraw/zinc/13/68/07/564136807.db2.gz SFHJFUKMQIVOEP-UHFFFAOYSA-N 0 0 344.390 4.338 50 30 EIEARN CSc1nc(-c2ccc(C)cc2)c(C#N)c(N2CCCC[C@@H]2C)n1 ZINC000019820723 564138161 /nfs/dbraw/zinc/13/81/61/564138161.db2.gz BBRBQJVVYPLZGE-AWEZNQCLSA-N 0 0 338.480 4.424 50 30 EIEARN C=CCn1c(S[C@H](C#N)C2CCCCC2)nnc1-c1ccccn1 ZINC000124814945 564138723 /nfs/dbraw/zinc/13/87/23/564138723.db2.gz KSIJRSFMKUCWGG-MRXNPFEDSA-N 0 0 339.468 4.091 50 30 EIEARN COc1ccc(/C=C\C(=O)c2sc(C(C)(C)C)nc2C)cc1O ZINC000096305611 564146647 /nfs/dbraw/zinc/14/66/47/564146647.db2.gz FWNCHNJWBGEOSV-VURMDHGXSA-N 0 0 331.437 4.359 50 30 EIEARN O=C1c2sc(-c3ccc(F)cc3)nc2CC/C1=C\c1csnn1 ZINC000096403697 564147214 /nfs/dbraw/zinc/14/72/14/564147214.db2.gz DQPZCWLWFUSIJZ-JXMROGBWSA-N 0 0 343.408 4.013 50 30 EIEARN N#Cc1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000002633513 564151531 /nfs/dbraw/zinc/15/15/31/564151531.db2.gz CAWSNMCAHGUAJX-UHFFFAOYSA-N 0 0 344.370 4.368 50 30 EIEARN Cc1sc(NC(=S)NC(=O)c2ccccc2Cl)c(C#N)c1C ZINC000002847261 564152798 /nfs/dbraw/zinc/15/27/98/564152798.db2.gz NQYIVIBNGQQDIS-UHFFFAOYSA-N 0 0 349.868 4.017 50 30 EIEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccnc1 ZINC000003073338 564154960 /nfs/dbraw/zinc/15/49/60/564154960.db2.gz RCDGOBNGOYJZAA-UHFFFAOYSA-N 0 0 331.400 4.357 50 30 EIEARN N#Cc1cccc(NC(=O)CSc2nc3cc(Cl)ccc3o2)c1 ZINC000003269004 564156801 /nfs/dbraw/zinc/15/68/01/564156801.db2.gz ATCRLPIAIRCLDH-UHFFFAOYSA-N 0 0 343.795 4.084 50 30 EIEARN CCN(C(=O)Nc1cccc(C(C)=O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000058277674 564158299 /nfs/dbraw/zinc/15/82/99/564158299.db2.gz UICXFGCZWSGMIO-CQSZACIVSA-N 0 0 335.407 4.376 50 30 EIEARN COc1ccc(C2(C(=O)NCc3ccc(C#N)cc3)CCCCC2)cc1 ZINC000058440768 564159086 /nfs/dbraw/zinc/15/90/86/564159086.db2.gz LAJJSUBMRJLIGO-UHFFFAOYSA-N 0 0 348.446 4.085 50 30 EIEARN COc1ccc(CNC(=O)c2ccccc2-c2ccccc2C#N)cc1 ZINC000008272622 564163952 /nfs/dbraw/zinc/16/39/52/564163952.db2.gz MTZGLUGLPLNYHN-UHFFFAOYSA-N 0 0 342.398 4.164 50 30 EIEARN Cc1ccsc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000008428988 564165279 /nfs/dbraw/zinc/16/52/79/564165279.db2.gz XGLJPFXHMDRQHE-UHFFFAOYSA-N 0 0 325.418 4.304 50 30 EIEARN COc1cccc(/C=C/c2nc(C#N)c(N3C[C@@H](C)C[C@H](C)C3)o2)c1 ZINC000008535500 564165636 /nfs/dbraw/zinc/16/56/36/564165636.db2.gz YJGHWANUASRDEH-JSMHICHCSA-N 0 0 337.423 4.208 50 30 EIEARN C=CCN(CC=C)Cc1c(C)[nH]c2ccc(Br)cc2c1=O ZINC000008714080 564166675 /nfs/dbraw/zinc/16/66/75/564166675.db2.gz ICHDEJUXIUEHIH-UHFFFAOYSA-N 0 0 347.256 4.185 50 30 EIEARN N#Cc1c(N=Cc2cc(Br)ccc2O)sc2c1CCC2 ZINC000245228675 564168790 /nfs/dbraw/zinc/16/87/90/564168790.db2.gz BXODHNKFPZENSS-UHFFFAOYSA-N 0 0 347.237 4.327 50 30 EIEARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000069566030 564170531 /nfs/dbraw/zinc/17/05/31/564170531.db2.gz OFGDDQKGRBRAEO-SOUVJXGZSA-N 0 0 348.427 4.285 50 30 EIEARN N#CCCCOc1cccnc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000069584866 564170709 /nfs/dbraw/zinc/17/07/09/564170709.db2.gz RJIIHUIBGJHUGI-UHFFFAOYSA-N 0 0 349.312 4.035 50 30 EIEARN COc1ccc([C@@H]2C[C@@H]2C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1 ZINC000069619045 564170914 /nfs/dbraw/zinc/17/09/14/564170914.db2.gz XJLSZBAHMIFTGM-HRCADAONSA-N 0 0 348.427 4.285 50 30 EIEARN CO[C@@](C)(C(=O)C(C#N)c1nc2ccccc2s1)c1ccccc1 ZINC000069697509 564171475 /nfs/dbraw/zinc/17/14/75/564171475.db2.gz DNKHGTCLNNKHFC-AUUYWEPGSA-N 0 0 336.416 4.034 50 30 EIEARN N#Cc1ccc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)cc1 ZINC000069843992 564172442 /nfs/dbraw/zinc/17/24/42/564172442.db2.gz TYBFMXBEBIJLFU-OAHLLOKOSA-N 0 0 345.402 4.105 50 30 EIEARN C=CC[C@H](NC(=O)c1oc2ccccc2c1COC)c1ccncc1 ZINC000069845326 564172459 /nfs/dbraw/zinc/17/24/59/564172459.db2.gz DKACNEIJMYIWTI-KRWDZBQOSA-N 0 0 336.391 4.021 50 30 EIEARN N#Cc1c(Cl)nsc1N[C@H]1CCSc2c(F)cccc21 ZINC000070005241 564173246 /nfs/dbraw/zinc/17/32/46/564173246.db2.gz IEBBDKXHIKGYED-JTQLQIEISA-N 0 0 325.821 4.456 50 30 EIEARN N#C[C@@H](C(=O)CCc1cccc(OC2CCCC2)c1)c1ccccn1 ZINC000070032706 564173444 /nfs/dbraw/zinc/17/34/44/564173444.db2.gz XGHJYSUYIKMSGI-LJQANCHMSA-N 0 0 334.419 4.212 50 30 EIEARN Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000279924013 1032850558 /nfs/dbraw/zinc/85/05/58/1032850558.db2.gz NUQJKLMSUMWTSM-IBGZPJMESA-N 0 0 335.451 4.194 50 30 EIEARN CCCCn1nc(C)c(/C=C/C(=O)Oc2ccc(C#N)cc2)c1Cl ZINC000014077467 1022531125 /nfs/dbraw/zinc/53/11/25/1022531125.db2.gz OITYIKZYLIDNOD-MDZDMXLPSA-N 0 0 343.814 4.136 50 30 EIEARN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCCc2occc2C1 ZINC000329313749 1022844154 /nfs/dbraw/zinc/84/41/54/1022844154.db2.gz APESZUKVGRCJOQ-GFCCVEGCSA-N 0 0 343.814 4.230 50 30 EIEARN COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)cc2Cl)cc1 ZINC000014246325 1022874111 /nfs/dbraw/zinc/87/41/11/1022874111.db2.gz AKVUMKQTBVPUCC-RMKNXTFCSA-N 0 0 332.783 4.262 50 30 EIEARN COc1ccc2cc(C(=O)/C=C/c3ccc(OC)c(O)c3)ccc2c1 ZINC000006458035 1026051664 /nfs/dbraw/zinc/05/16/64/1026051664.db2.gz SNRFNERUEXHOFA-YCRREMRBSA-N 0 0 334.371 4.459 50 30 EIEARN COc1ccc2c(c1)CC/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C2=O ZINC000013140829 1031424256 /nfs/dbraw/zinc/42/42/56/1031424256.db2.gz BDINKXUYIXFMKG-JYRVWZFOSA-N 0 0 343.766 4.469 50 30 EIEARN CC[C@H]1CS/C(=N\CCOC)N1Cc1ccc(Cl)cc1Cl ZINC000013148127 1031494456 /nfs/dbraw/zinc/49/44/56/1031494456.db2.gz RNOBYNFNPHVJFC-VLFBTDHHSA-N 0 0 347.311 4.323 50 30 EIEARN Cc1nc2sc3c(c2c(N=NCc2ccccc2O)n1)CCCC3 ZINC000254438651 1034413664 /nfs/dbraw/zinc/41/36/64/1034413664.db2.gz BTWMZCOMEHBGTO-UHFFFAOYSA-N 0 0 338.436 4.030 50 30 EIEARN FC(F)Oc1cccc(C=NN=Cc2cccc(OC(F)F)c2)c1 ZINC000606442525 1043067013 /nfs/dbraw/zinc/06/70/13/1043067013.db2.gz UDWREAOOQVAMQN-UHFFFAOYSA-N 0 0 340.276 4.342 50 30 EIEARN COc1ccc2cc(C(=O)/C=C\c3ccc(OC)c(O)c3)ccc2c1 ZINC000034897964 1044685645 /nfs/dbraw/zinc/68/56/45/1044685645.db2.gz SNRFNERUEXHOFA-OQFOIZHKSA-N 0 0 334.371 4.459 50 30 EIEARN N#CCOc1ccc(C(=O)/C=C\c2cccc(Br)c2)cc1 ZINC000033476749 1047342798 /nfs/dbraw/zinc/34/27/98/1047342798.db2.gz HLGHJUBLYNNYMH-WTKPLQERSA-N 0 0 342.192 4.248 50 30 EIEARN C=C(C)COc1ccccc1NC(=O)c1cc(C)nc2onc(C)c21 ZINC000952865909 1049680606 /nfs/dbraw/zinc/68/06/06/1049680606.db2.gz ZBDDCDIKJLPPDB-UHFFFAOYSA-N 0 0 337.379 4.047 50 30 EIEARN CC(C)N(C(=O)COc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000007855766 1049842061 /nfs/dbraw/zinc/84/20/61/1049842061.db2.gz DCJBZMIRXLJGGD-UHFFFAOYSA-N 0 0 328.799 4.032 50 30 EIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSCc1ccco1 ZINC000102469939 1054987683 /nfs/dbraw/zinc/98/76/83/1054987683.db2.gz XBQKYEKTYRUYPV-WOJGMQOQSA-N 0 0 327.449 4.393 50 30 EIEARN COc1ccc(/C=C2/CCC(=C(SC)SC)C2=O)cc1OC ZINC000051329781 214088681 /nfs/dbraw/zinc/08/86/81/214088681.db2.gz NYWBINJKWBUFJH-XFXZXTDPSA-N 0 0 336.478 4.388 50 30 EIEARN COc1ccc(C(=NNc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000004737163 210263894 /nfs/dbraw/zinc/26/38/94/210263894.db2.gz UKJXYHMMCPXIBO-XDOYNYLZSA-N 0 0 347.374 4.468 50 30 EIEARN O=[N+]([O-])c1cc(C=NNc2nc3ccccc3s2)ccc1Cl ZINC000004705344 210254948 /nfs/dbraw/zinc/25/49/48/210254948.db2.gz WZKDEQFOAHSYKI-LZYBPNLTSA-N 0 0 332.772 4.304 50 30 EIEARN C=CC[C@H]1C=C(C)C[C@H](CC=C)[N@H+]1Cc1ccccc1OCC(=O)[O-] ZINC000055088216 214271039 /nfs/dbraw/zinc/27/10/39/214271039.db2.gz RACKIAFOJUFKJX-OALUTQOASA-N 0 0 341.451 4.191 50 30 EIEARN COc1cccc(CNc2cc(C)c(C#N)c3nc4ccccc4n32)c1 ZINC000004625961 210235560 /nfs/dbraw/zinc/23/55/60/210235560.db2.gz RNKJUUJSSXSLTI-UHFFFAOYSA-N 0 0 342.402 4.288 50 30 EIEARN C#CCN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O ZINC000004615954 210232415 /nfs/dbraw/zinc/23/24/15/210232415.db2.gz IWEBZCDGDMOQDB-XNTDXEJSSA-N 0 0 343.791 4.270 50 30 EIEARN Cc1ccc(C[C@H]2S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 ZINC000004595297 210229081 /nfs/dbraw/zinc/22/90/81/210229081.db2.gz LCBASURTTNEAPL-OAHLLOKOSA-N 0 0 330.840 4.110 50 30 EIEARN Cc1cc2oc(=O)cc(-c3cc4ccccc4o3)c2cc1OCC#N ZINC000004586245 210228007 /nfs/dbraw/zinc/22/80/07/210228007.db2.gz GCHIGWZSGPLSIL-UHFFFAOYSA-N 0 0 331.327 4.417 50 30 EIEARN O=C(/C=C\c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000004582542 210226574 /nfs/dbraw/zinc/22/65/74/210226574.db2.gz GXORKFLYXJALSM-WTKPLQERSA-N 0 0 332.153 4.253 50 30 EIEARN O=C(Cc1nc2cc(Cl)ccc2oc1=O)c1ccc(Cl)cc1 ZINC000100106803 219091344 /nfs/dbraw/zinc/09/13/44/219091344.db2.gz QEIDWOGNYLRLFJ-MDWZMJQESA-N 0 0 334.158 4.091 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)NC(=S)[C@@H](C#N)[C@@H]2c1ccc(Cl)cc1 ZINC000100363633 219097824 /nfs/dbraw/zinc/09/78/24/219097824.db2.gz PZTQPAIVZBBREJ-WFASDCNBSA-N 0 0 344.867 4.137 50 30 EIEARN O=C1CC(c2ccccc2)CC(=O)C1=CNCc1ccc(Cl)cc1 ZINC000100522954 219101213 /nfs/dbraw/zinc/10/12/13/219101213.db2.gz OBFMTXUTQDPZPO-UHFFFAOYSA-N 0 0 339.822 4.029 50 30 EIEARN N#Cc1cnc2ccc(Cl)cc2c1NCc1ccc2c(c1)OCO2 ZINC000064438691 214785193 /nfs/dbraw/zinc/78/51/93/214785193.db2.gz SXOPGVMKRUTYRK-UHFFFAOYSA-N 0 0 337.766 4.101 50 30 EIEARN Cc1ccc(NC=C(C(=O)c2ccco2)C(=O)C(F)(F)F)c(C)c1 ZINC000100862334 219109353 /nfs/dbraw/zinc/10/93/53/219109353.db2.gz LIRTXXDRNUIRCD-XFXZXTDPSA-N 0 0 337.297 4.207 50 30 EIEARN CCc1ccccc1NC(=O)C(=O)C=C([O-])c1ccc(Cl)cc1 ZINC000101355431 219123977 /nfs/dbraw/zinc/12/39/77/219123977.db2.gz OVNHLIGVYOTSFA-BOPFTXTBSA-N 0 0 329.783 4.166 50 30 EIEARN CC(C)c1ccc(NC(=O)c2cn(-c3ccc(C#N)cc3)cn2)cc1 ZINC000065131336 214830268 /nfs/dbraw/zinc/83/02/68/214830268.db2.gz CDBVVJDNYSNODW-UHFFFAOYSA-N 0 0 330.391 4.120 50 30 EIEARN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1C1CCCCC1 ZINC000004047985 210107569 /nfs/dbraw/zinc/10/75/69/210107569.db2.gz YDFMDRLGCJEVIB-RGVLZGJSSA-N 0 0 341.415 4.359 50 30 EIEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000004033292 210104632 /nfs/dbraw/zinc/10/46/32/210104632.db2.gz OTSFGVDRZMPAKG-QGZVFWFLSA-N 0 0 345.446 4.360 50 30 EIEARN CC1(C)CCC[C@](C)(C#CCN2CCCC[C@H]2c2cccnc2)O1 ZINC000004000001 210099301 /nfs/dbraw/zinc/09/93/01/210099301.db2.gz MGHSLDDBTFCNLI-PZJWPPBQSA-N 0 0 326.484 4.350 50 30 biogenic EIEARN COc1cc2c(cc1NC(=O)N1CCC(C#N)CC1)oc1ccccc12 ZINC000067012509 215104108 /nfs/dbraw/zinc/10/41/08/215104108.db2.gz BPUSNVHHAOAVLU-UHFFFAOYSA-N 0 0 349.390 4.362 50 30 EIEARN N#CCCN(C(=O)CNc1cccc2ccccc21)c1ccccc1 ZINC000003344052 210013163 /nfs/dbraw/zinc/01/31/63/210013163.db2.gz JWHDQEWKQVMWND-UHFFFAOYSA-N 0 0 329.403 4.199 50 30 EIEARN O=C1Nc2ccccc2/C1=N\N=C\c1cccc(Oc2ccccc2)c1 ZINC000003173298 209972592 /nfs/dbraw/zinc/97/25/92/209972592.db2.gz RYEITHUULOHSPB-HYARGMPZSA-N 0 0 341.370 4.254 50 30 EIEARN CN(C)c1c(F)c(N(C)C)c(C(F)(F)F)c(F)c1C(F)(F)F ZINC000002819968 209922205 /nfs/dbraw/zinc/92/22/05/209922205.db2.gz ZTNBUGJZJRDHDJ-UHFFFAOYSA-N 0 0 336.226 4.134 50 30 EIEARN N#Cc1cnn2c1N[C@@H](c1ccc(Cl)cc1)C[C@H]2C(F)(F)F ZINC000002766756 209906952 /nfs/dbraw/zinc/90/69/52/209906952.db2.gz SJWMEWOSPZLVKL-NEPJUHHUSA-N 0 0 326.709 4.068 50 30 EIEARN CCc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C#N)c3N2)s1 ZINC000002747887 209900747 /nfs/dbraw/zinc/90/07/47/209900747.db2.gz NWPUUVVZNBQRDQ-CMPLNLGQSA-N 0 0 326.347 4.039 50 30 EIEARN CC(C)(C)c1nc(CC(=O)Nc2sc3c(c2C#N)CCC3)cs1 ZINC000069485899 215438280 /nfs/dbraw/zinc/43/82/80/215438280.db2.gz YUHGFSWHTWWTHL-UHFFFAOYSA-N 0 0 345.493 4.044 50 30 EIEARN N#Cc1c2c(sc1NC(=O)c1csc(-c3ccco3)n1)CCC2 ZINC000040052324 213255135 /nfs/dbraw/zinc/25/51/35/213255135.db2.gz SRDCRSFKGGIWEM-UHFFFAOYSA-N 0 0 341.417 4.077 50 30 EIEARN C=CCSc1ccccc1NC(=O)[C@H]1COc2ccccc2C1 ZINC000039998438 213248784 /nfs/dbraw/zinc/24/87/84/213248784.db2.gz BTUXTZYSBNEUPT-OAHLLOKOSA-N 0 0 325.433 4.155 50 30 EIEARN CCOc1ccc(/N=C2/S/C(=C\c3ccco3)C(=O)N2CC)cc1 ZINC000001012223 209700216 /nfs/dbraw/zinc/70/02/16/209700216.db2.gz UOVJVXIHQBNZAL-MPOVVXLQSA-N 0 0 342.420 4.302 50 30 EIEARN C=C(C)Cn1c(C(=O)NC(C)C)cc2sc(Br)cc21 ZINC000037542838 213155651 /nfs/dbraw/zinc/15/56/51/213155651.db2.gz JDALQVBBQJNPNC-UHFFFAOYSA-N 0 0 341.274 4.180 50 30 EIEARN Cc1c2cc(C)cc(CNC(=O)C3(C#N)CC3)c2[nH]c1-c1ccccc1 ZINC000071681491 215794429 /nfs/dbraw/zinc/79/44/29/215794429.db2.gz BTMLYJNVPGAMHB-UHFFFAOYSA-N 0 0 343.430 4.372 50 30 EIEARN COc1ccc(-c2nc(CN3CCC[C@H](C#N)C3)c(C)o2)c(C)c1C ZINC000071730455 215800327 /nfs/dbraw/zinc/80/03/27/215800327.db2.gz IXCQHBNLBGNNRU-MRXNPFEDSA-N 0 0 339.439 4.011 50 30 EIEARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C#N)cc1 ZINC000033292548 212917922 /nfs/dbraw/zinc/91/79/22/212917922.db2.gz SBPKBGLVWSTPAN-UHFFFAOYSA-N 0 0 346.390 4.120 50 30 EIEARN CCc1cccc(CC)c1NC(=O)CO/N=C(\C)c1cccs1 ZINC000000348599 209544149 /nfs/dbraw/zinc/54/41/49/209544149.db2.gz OWGHQNUBNVZOHE-DEDYPNTBSA-N 0 0 330.453 4.252 50 30 EIEARN Cc1noc2c1[C@@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000072332301 216155969 /nfs/dbraw/zinc/15/59/69/216155969.db2.gz ORWXYMMVUVPUND-MRXNPFEDSA-N 0 0 326.371 4.323 50 30 EIEARN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1Cl ZINC000072311339 216147321 /nfs/dbraw/zinc/14/73/21/216147321.db2.gz PSNNWDDGBLARHT-UHFFFAOYSA-N 0 0 337.728 4.140 50 30 EIEARN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)c2ccccc2)n1 ZINC000000049759 209390868 /nfs/dbraw/zinc/39/08/68/209390868.db2.gz MWPCBJICDKVVBM-UHFFFAOYSA-N 0 0 336.338 4.256 50 30 EIEARN Cn1cc(-c2nc3cc(C#N)ccc3[nH]2)c(-c2cccc(Cl)c2)n1 ZINC000072434277 216229613 /nfs/dbraw/zinc/22/96/13/216229613.db2.gz DPXMECCINHXBHD-UHFFFAOYSA-N 0 0 333.782 4.155 50 30 EIEARN O=C(O/N=C/c1ccc(C#Cc2ccccc2)cc1)c1ccccc1 ZINC000003118977 541328638 /nfs/dbraw/zinc/32/86/38/541328638.db2.gz YKIVJYGSBVDVSI-HAVVHWLPSA-N 0 0 325.367 4.277 50 30 EIEARN N#Cc1c(NC[C@H]2CCCO2)nc(-c2ccccc2)c2c1CCCC2 ZINC000020589489 212149983 /nfs/dbraw/zinc/14/99/83/212149983.db2.gz JBBZUNGXFWVKHJ-MRXNPFEDSA-N 0 0 333.435 4.090 50 30 EIEARN C/C(=N\N1CCN(Cc2ccccc2Cl)CC1)c1ccc(F)cc1 ZINC000020191624 212110246 /nfs/dbraw/zinc/11/02/46/212110246.db2.gz NFGUWEKKKKXKOM-PXLXIMEGSA-N 0 0 345.849 4.021 50 30 EIEARN Cc1c2sc3c(c2nc(N)c1C#N)[C@@H](c1ccccc1)CC(=O)N3 ZINC000020029518 212094690 /nfs/dbraw/zinc/09/46/90/212094690.db2.gz SVSTYSYPFVAERR-LLVKDONJSA-N 0 0 334.404 4.182 50 30 EIEARN Cc1cccc([C@@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@H]32)c1 ZINC000019758143 212061850 /nfs/dbraw/zinc/06/18/50/212061850.db2.gz ZXQIBROJZVFLES-CTNGQTDRSA-N 0 0 341.410 4.401 50 30 EIEARN Clc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000019419360 212027564 /nfs/dbraw/zinc/02/75/64/212027564.db2.gz VPLQVVWFZJGKDT-FYJGNVAPSA-N 0 0 348.277 4.145 50 30 EIEARN CC(C)Cc1cc(-c2ccc(Br)cc2)c(C#N)c(N)n1 ZINC000019143671 212002063 /nfs/dbraw/zinc/00/20/63/212002063.db2.gz HZICXTYRGLWFGZ-UHFFFAOYSA-N 0 0 330.229 4.163 50 30 EIEARN CCCc1ccc(S(=O)(=O)N/N=C2/C[C@@H](C)CC(C)(C)C2)cc1 ZINC000017070779 211950989 /nfs/dbraw/zinc/95/09/89/211950989.db2.gz MUKVCTOLQURHSR-DZTQIWHNSA-N 0 0 336.501 4.120 50 30 EIEARN COc1ccc(/C=C2\COc3ccccc3C2=O)cc1OCC(C)C ZINC000013137637 211527857 /nfs/dbraw/zinc/52/78/57/211527857.db2.gz PLRAPGPLLXYPQX-MHWRWJLKSA-N 0 0 338.403 4.389 50 30 EIEARN Cc1c(/C(=N/O)c2ccccc2)oc2ccc3c(C)cc(=O)oc3c12 ZINC000013118192 211522716 /nfs/dbraw/zinc/52/27/16/211522716.db2.gz WBWJDMXUCAMBSQ-DYTRJAOYSA-N 0 0 333.343 4.383 50 30 biogenic EIEARN COc1cc(OC)c(C(=O)/C=C/c2ccc(C#N)cc2)cc1Cl ZINC000013002697 211507561 /nfs/dbraw/zinc/50/75/61/211507561.db2.gz WAZUVOSSEOVUPH-BQYQJAHWSA-N 0 0 327.767 4.125 50 30 EIEARN Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(O)cc1 ZINC000012406347 211370058 /nfs/dbraw/zinc/37/00/58/211370058.db2.gz BWMZYJIGHXDPMT-SRHUDTFWSA-N 0 0 334.419 4.454 50 30 EIEARN CCN1C(=O)N[C@@H](c2ccccc2)C(C(=O)C=Cc2ccccc2)=C1C ZINC000012389452 211365581 /nfs/dbraw/zinc/36/55/81/211365581.db2.gz DVMVJQUMNLMBLV-JLVIMGNISA-N 0 0 346.430 4.329 50 30 EIEARN C=C(C)COc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 ZINC000012323012 211347806 /nfs/dbraw/zinc/34/78/06/211347806.db2.gz DHCDZGMAOPKXCQ-UHFFFAOYSA-N 0 0 334.419 4.426 50 30 EIEARN Cc1c(C(=O)Nc2ccc(F)cc2)cn2c3ccccc3nc2c1C#N ZINC000012372537 211358798 /nfs/dbraw/zinc/35/87/98/211358798.db2.gz YDSNRPONMXAIRV-UHFFFAOYSA-N 0 0 344.349 4.059 50 30 EIEARN N#CC1(NC(=O)CNc2ccccc2-c2ccccc2)CCCCC1 ZINC000011619068 211226564 /nfs/dbraw/zinc/22/65/64/211226564.db2.gz MRXGAXCPKMWFCV-UHFFFAOYSA-N 0 0 333.435 4.108 50 30 EIEARN O=C1c2cccc(O)c2C/C1=C/c1ccc(Br)cc1F ZINC000011336168 211212568 /nfs/dbraw/zinc/21/25/68/211212568.db2.gz HQFGTVXXCPEQDG-POHAHGRESA-N 0 0 333.156 4.116 50 30 EIEARN Cc1ccc(OCc2nnc(SCc3ccc(C#N)cc3)o2)cc1 ZINC000010475574 211175793 /nfs/dbraw/zinc/17/57/93/211175793.db2.gz MTHKFUBYFQYAJA-UHFFFAOYSA-N 0 0 337.404 4.121 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1cccs1 ZINC000009576732 211103650 /nfs/dbraw/zinc/10/36/50/211103650.db2.gz FJOOJQWJVYTDCX-APWZRJJASA-N 0 0 340.444 4.376 50 30 EIEARN CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O ZINC000009419390 211081793 /nfs/dbraw/zinc/08/17/93/211081793.db2.gz PORINEUDVKSFJK-MFOYZWKCSA-N 0 0 326.323 4.003 50 30 EIEARN Cc1cc(C)c(C#N)c(S[C@H](C)c2nnc(-c3ccccc3)o2)n1 ZINC000009157344 211047228 /nfs/dbraw/zinc/04/72/28/211047228.db2.gz LIGFRKPWGJRFNL-CYBMUJFWSA-N 0 0 336.420 4.473 50 30 EIEARN C[C@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2cccs2)C1 ZINC000009110007 211040601 /nfs/dbraw/zinc/04/06/01/211040601.db2.gz KLSRWGIIRHEFOO-ZMZPIMSZSA-N 0 0 335.432 4.366 50 30 EIEARN COc1ccc(N(Cc2cccs2)C(=O)c2ccc(C#N)cc2)cc1 ZINC000008753941 211001445 /nfs/dbraw/zinc/00/14/45/211001445.db2.gz FXJWGAORUZQQDO-UHFFFAOYSA-N 0 0 348.427 4.475 50 30 EIEARN CC(=O)c1cc(C#N)c(SCc2cc(-c3ccco3)on2)nc1C ZINC000008762347 211001123 /nfs/dbraw/zinc/00/11/23/211001123.db2.gz HZZMNHHHKYAANH-UHFFFAOYSA-N 0 0 339.376 4.005 50 30 EIEARN CC(C)(C#N)CCCNc1ccc(Cl)cc1C(=O)N1CCCC1 ZINC000095410370 218347099 /nfs/dbraw/zinc/34/70/99/218347099.db2.gz SYJXQXLMIDEZHB-UHFFFAOYSA-N 0 0 333.863 4.318 50 30 EIEARN N#Cc1ccc(Oc2cccc(NC(=O)N3CCC4(CCC4)C3)c2)nc1 ZINC000095412338 218350187 /nfs/dbraw/zinc/35/01/87/218350187.db2.gz XDBYFKNPLKNBAB-UHFFFAOYSA-N 0 0 348.406 4.153 50 30 EIEARN N#Cc1csc(CNc2ccccc2OCc2cscn2)c1 ZINC000095428946 218371646 /nfs/dbraw/zinc/37/16/46/218371646.db2.gz OQEBVEGWYGPHHU-UHFFFAOYSA-N 0 0 327.434 4.267 50 30 EIEARN N#Cc1ccccc1OCC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000008133574 210900685 /nfs/dbraw/zinc/90/06/85/210900685.db2.gz RBKARZSEPLVGHF-UHFFFAOYSA-N 0 0 342.398 4.170 50 30 EIEARN N#CC1(C#N)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H]1c1cccc(F)c1 ZINC000005892528 210554607 /nfs/dbraw/zinc/55/46/07/210554607.db2.gz FBHBGRMZWXDZHZ-YBODCEKQSA-N 0 0 348.421 4.358 50 30 EIEARN CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1ccc(C#N)cc1 ZINC000005578885 210495168 /nfs/dbraw/zinc/49/51/68/210495168.db2.gz VHFYJBDIDQVWPP-QOCHGBHMSA-N 0 0 349.459 4.082 50 30 EIEARN CN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N/c1ccccc1 ZINC000096609673 218885748 /nfs/dbraw/zinc/88/57/48/218885748.db2.gz DMQLSFBSRBZMDW-RDNNIZOPSA-N 0 0 344.823 4.279 50 30 EIEARN COc1ccc(OC)c(/C=C/C(=O)c2ccc(Br)cc2)c1 ZINC000005073256 210385266 /nfs/dbraw/zinc/38/52/66/210385266.db2.gz ORZMFCWLZCLZMN-WEVVVXLNSA-N 0 0 347.208 4.362 50 30 EIEARN O=C(/C=C/c1ccc2c(c1)OCO2)c1cccc(Br)c1 ZINC000005073202 210384795 /nfs/dbraw/zinc/38/47/95/210384795.db2.gz MAJHDFAXIFGSGC-GQCTYLIASA-N 0 0 331.165 4.074 50 30 EIEARN CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000005129296 210396524 /nfs/dbraw/zinc/39/65/24/210396524.db2.gz RBKDTKPYPKOEQI-NYYWCZLTSA-N 0 0 331.318 4.143 50 30 EIEARN Cn1cccc1/C=C(\C(=O)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000005044834 210373678 /nfs/dbraw/zinc/37/36/78/210373678.db2.gz BQGXGIVUPVLBMA-SAPNQHFASA-N 0 0 327.387 4.325 50 30 EIEARN COc1ccc(C(=O)/C=C/c2cccc(Br)c2)cc1OC ZINC000004996840 210353648 /nfs/dbraw/zinc/35/36/48/210353648.db2.gz RQFXGMWTKKDANK-SOFGYWHQSA-N 0 0 347.208 4.362 50 30 EIEARN Cc1cccc(C)c1NCc1nnc(SCC#N)n1-c1ccccc1 ZINC000004957072 210339065 /nfs/dbraw/zinc/33/90/65/210339065.db2.gz GCIWSXBYYLVCFF-UHFFFAOYSA-N 0 0 349.463 4.112 50 30 EIEARN CN(CCC#N)C(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938461 210330249 /nfs/dbraw/zinc/33/02/49/210330249.db2.gz GADHODYBRKBBPU-UHFFFAOYSA-N 0 0 329.812 4.089 50 30 EIEARN C=C(C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000004943163 210334165 /nfs/dbraw/zinc/33/41/65/210334165.db2.gz HDESOYKAJYMBGM-KRWDZBQOSA-N 0 0 345.446 4.441 50 30 EIEARN C=C(C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000004943167 210333722 /nfs/dbraw/zinc/33/37/22/210333722.db2.gz SGURGBRVPQDODR-KRWDZBQOSA-N 0 0 345.446 4.441 50 30 EIEARN CC[C@H](C)Oc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004916452 210322434 /nfs/dbraw/zinc/32/24/34/210322434.db2.gz QNUNGVJWXXIRMO-XJKSGUPXSA-N 0 0 341.451 4.111 50 30 EIEARN N#Cc1ccc2ncc(CNc3cccc(Oc4ccccn4)c3)n2c1 ZINC000097235426 219001750 /nfs/dbraw/zinc/00/17/50/219001750.db2.gz DZTTZLFDGTUIOC-UHFFFAOYSA-N 0 0 341.374 4.005 50 30 EIEARN N#Cc1ccccc1OCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000004846947 210299502 /nfs/dbraw/zinc/29/95/02/210299502.db2.gz WXRFNGFVCNEKDL-UHFFFAOYSA-N 0 0 342.398 4.167 50 30 EIEARN Cc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 ZINC000004843294 210298164 /nfs/dbraw/zinc/29/81/64/210298164.db2.gz DHVMMCSPYVDZIK-SJLPKXTDSA-N 0 0 349.405 4.138 50 30 EIEARN Cc1c(C(=O)c2ccc(N(C)C)cc2)c2ccccn2c1CCC#N ZINC000004867777 210307144 /nfs/dbraw/zinc/30/71/44/210307144.db2.gz WVYXBEVQHADXGU-UHFFFAOYSA-N 0 0 331.419 4.001 50 30 EIEARN Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000097259102 219006450 /nfs/dbraw/zinc/00/64/50/219006450.db2.gz HWRFCQMCGNLOAS-RAXLEYEMSA-N 0 0 347.374 4.293 50 30 EIEARN C=CCSc1nnc(COc2ccccc2C)n1-c1ccccc1 ZINC000004865773 210304531 /nfs/dbraw/zinc/30/45/31/210304531.db2.gz RFFMKLGYLCEXKH-UHFFFAOYSA-N 0 0 337.448 4.433 50 30 EIEARN O=C1c2ccccc2C2=C1[C@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2 ZINC000004790944 210278116 /nfs/dbraw/zinc/27/81/16/210278116.db2.gz KFLIOKJTSVBDDC-GOSISDBHSA-N 0 0 345.373 4.127 50 30 EIEARN CSC1=N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)S1 ZINC000004755435 210272057 /nfs/dbraw/zinc/27/20/57/210272057.db2.gz PYMFHTPHWKDOTF-WQLSENKSSA-N 0 0 346.389 4.188 50 30 EIEARN Cc1cc(C)nc(C(C#N)C(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)n1 ZINC000077940871 257835585 /nfs/dbraw/zinc/83/55/85/257835585.db2.gz VONMVFLIILYWJU-CEXWTWQISA-N 0 0 333.435 4.197 50 30 EIEARN C[C@H](Oc1cccc(CO)c1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000328596976 258042712 /nfs/dbraw/zinc/04/27/12/258042712.db2.gz CBARHUKMABYHAG-UYHISHBKSA-N 0 0 345.826 4.112 50 30 EIEARN C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccccc1 ZINC000006761238 258044369 /nfs/dbraw/zinc/04/43/69/258044369.db2.gz BZECSDGWDJOEPN-UHFFFAOYSA-N 0 0 332.432 4.295 50 30 EIEARN C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccn1 ZINC000006729502 258044448 /nfs/dbraw/zinc/04/44/48/258044448.db2.gz RQNHJOBRPZICQG-UHFFFAOYSA-N 0 0 342.855 4.472 50 30 EIEARN O=C1c2cccc(O)c2C/C1=C\c1ccccc1OCc1ccccn1 ZINC000096942851 258001709 /nfs/dbraw/zinc/00/17/09/258001709.db2.gz CCNDXSDEXMAFMP-FOWTUZBSSA-N 0 0 343.382 4.189 50 30 EIEARN C#CCn1c2ccccc2nc1SCCOc1cc(C)cc(C)c1 ZINC000012062343 258018224 /nfs/dbraw/zinc/01/82/24/258018224.db2.gz FEXYQCHUDBYYLQ-UHFFFAOYSA-N 0 0 336.460 4.457 50 30 EIEARN COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC)c1OC ZINC000007332589 258052614 /nfs/dbraw/zinc/05/26/14/258052614.db2.gz IBMAKIZPGZWCLV-VQHVLOKHSA-N 0 0 332.783 4.262 50 30 EIEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccs1 ZINC000019923591 258057263 /nfs/dbraw/zinc/05/72/63/258057263.db2.gz KWDXZUJEOXFFEH-CJNGLKHVSA-N 0 0 335.469 4.249 50 30 EIEARN CC(/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1)=C\c1ccco1 ZINC000019833933 258057406 /nfs/dbraw/zinc/05/74/06/258057406.db2.gz GJPFICIJFKKMPE-PDHZICCSSA-N 0 0 343.858 4.140 50 30 EIEARN COc1cccc([C@H]2C(C(C)=O)=C(C)N=C3c4ccccc4C(=O)C32)c1 ZINC000102929084 258069756 /nfs/dbraw/zinc/06/97/56/258069756.db2.gz GFZFWRHJUDIASO-IBGZPJMESA-N 0 0 345.398 4.427 50 30 EIEARN CCOC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]12C ZINC000257346311 258073647 /nfs/dbraw/zinc/07/36/47/258073647.db2.gz YAPZUKSWNYMANR-VZNOBFAESA-N 0 0 330.468 4.308 50 30 EIEARN N#Cc1ccc(Br)cc1OC(C(F)(F)F)C(F)(F)F ZINC000169725878 226556699 /nfs/dbraw/zinc/55/66/99/226556699.db2.gz UIMKKGQDGKLXCJ-UHFFFAOYSA-N 0 0 348.040 4.193 50 30 EIEARN C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000060163564 518260755 /nfs/dbraw/zinc/26/07/55/518260755.db2.gz JWJJHRXHPFRHBR-UHFFFAOYSA-N 0 0 335.300 4.120 50 30 EIEARN CC(C[C@H]1CC(C)(C)OC1=O)N=Nc1nc(-c2ccccc2)cs1 ZINC000000534287 518477004 /nfs/dbraw/zinc/47/70/04/518477004.db2.gz SQMFKXYGJMHGHJ-GQFJFNLSSA-N 0 0 343.452 4.330 50 30 EIEARN C=C(C)CN(CC)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000022628509 518598194 /nfs/dbraw/zinc/59/81/94/518598194.db2.gz SEFSUXSYSOFSDL-UHFFFAOYSA-N 0 0 343.448 4.225 50 30 EIEARN C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(C)=O ZINC000036105137 518796178 /nfs/dbraw/zinc/79/61/78/518796178.db2.gz DCHYJYRJQIXRDZ-UHFFFAOYSA-N 0 0 344.480 4.380 50 30 EIEARN C=CCNc1ccccc1C(=O)N(Cc1ccco1)Cc1ccncc1 ZINC000055182800 518961183 /nfs/dbraw/zinc/96/11/83/518961183.db2.gz HABNZRZLOAJHDA-UHFFFAOYSA-N 0 0 347.418 4.115 50 30 EIEARN C=CCc1ccccc1OCCOCCOc1ccccc1OCC ZINC000002984163 519144685 /nfs/dbraw/zinc/14/46/85/519144685.db2.gz PGIZAHXBAAXSON-UHFFFAOYSA-N 0 0 342.435 4.288 50 30 EIEARN C=CCc1ccccc1OCc1ccc(C(=O)NC2CCCC2)o1 ZINC000028229559 519146531 /nfs/dbraw/zinc/14/65/31/519146531.db2.gz HHNPMKZCHNKLOQ-UHFFFAOYSA-N 0 0 325.408 4.260 50 30 EIEARN C=CCn1c(C)cc(C(=O)CSc2ncnc3ccsc32)c1C ZINC000026955318 519171272 /nfs/dbraw/zinc/17/12/72/519171272.db2.gz KTGIKKLYFYVFAR-UHFFFAOYSA-N 0 0 343.477 4.271 50 30 EIEARN C=CCn1c(SCc2cccc(C#N)c2)nnc1-c1ccoc1C ZINC000014247860 519241853 /nfs/dbraw/zinc/24/18/53/519241853.db2.gz ZRDJDJGKLCKYDW-UHFFFAOYSA-N 0 0 336.420 4.197 50 30 EIEARN C=CCn1cc(CN(Cc2nccs2)Cc2ccccc2)c(C)n1 ZINC000055107647 519277003 /nfs/dbraw/zinc/27/70/03/519277003.db2.gz XKWUBTCRECJQGV-UHFFFAOYSA-N 0 0 338.480 4.036 50 30 EIEARN CCOC(=O)c1cccc(NC=CC(=O)c2ccc(Cl)cc2)c1 ZINC000000304178 521535538 /nfs/dbraw/zinc/53/55/38/521535538.db2.gz CGXPUJQTSDOQND-ZHACJKMWSA-N 0 0 329.783 4.325 50 30 EIEARN CC[C@H](C)Oc1ccc(CN=Nc2ncccc2[N+](=O)[O-])cc1Cl ZINC000004108792 521761996 /nfs/dbraw/zinc/76/19/96/521761996.db2.gz IMJNBDMNKVMDDO-VSMYLPJWSA-N 0 0 348.790 4.267 50 30 EIEARN COc1ccc(C(=O)/C=C/c2ccc(OC3CSC3)cc2)cc1 ZINC000004851641 523541445 /nfs/dbraw/zinc/54/14/45/523541445.db2.gz SVSPQBLARSVTBK-NYYWCZLTSA-N 0 0 326.417 4.086 50 30 EIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSCc1ccco1 ZINC000018100447 524034451 /nfs/dbraw/zinc/03/44/51/524034451.db2.gz XBQKYEKTYRUYPV-WQRHYEAKSA-N 0 0 327.449 4.393 50 30 EIEARN Cc1ccc(S(=O)(=O)O[C@H](C)c2nc3ccccc3s2)cc1 ZINC000004200337 525626441 /nfs/dbraw/zinc/62/64/41/525626441.db2.gz LUFVVEPVDDTGQU-GFCCVEGCSA-N 0 0 333.434 4.071 50 30 EIEARN N#CCCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000003342772 526453452 /nfs/dbraw/zinc/45/34/52/526453452.db2.gz ZGTDEXVWEKMVQJ-UHFFFAOYSA-N 0 0 347.340 4.064 50 30 EIEARN O=C(CO/N=C/c1ccccc1)N(Cc1ccccc1)c1ccccc1 ZINC000005682881 526904761 /nfs/dbraw/zinc/90/47/61/526904761.db2.gz LIHKNWHJIGQVST-XQNSMLJCSA-N 0 0 344.414 4.271 50 30 EIEARN O=C(/C=C/c1ccccc1Cl)c1ccc(N2CCOCC2)c(F)c1 ZINC000007586432 527635758 /nfs/dbraw/zinc/63/57/58/527635758.db2.gz JSUCLJHOCFSAIO-SOFGYWHQSA-N 0 0 345.801 4.212 50 30 EIEARN O=C(/C=C/c1ccccc1OCc1cccnc1)c1ccc(O)cc1 ZINC000044012717 527636562 /nfs/dbraw/zinc/63/65/62/527636562.db2.gz MBSKSQYTVAXNLG-FMIVXFBMSA-N 0 0 331.371 4.262 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1cccs1 ZINC000206590081 535501968 /nfs/dbraw/zinc/50/19/68/535501968.db2.gz VLNWVYZKSGDORR-APWZRJJASA-N 0 0 340.444 4.376 50 30 EIEARN COc1cc(SC)ccc1C(=O)Oc1ccc(C#N)cc1Cl ZINC000015554483 564068058 /nfs/dbraw/zinc/06/80/58/564068058.db2.gz IMANORANRSTMHZ-UHFFFAOYSA-N 0 0 333.796 4.161 50 30 EIEARN CC(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc1 ZINC000000071098 563215418 /nfs/dbraw/zinc/21/54/18/563215418.db2.gz ICQLLAVHLBEZIP-GOSISDBHSA-N 0 0 336.439 4.060 50 30 EIEARN O=C1CCCC2=C1[C@H](c1ccccn1)Nc1ccc3ncccc3c12 ZINC000000079836 563218318 /nfs/dbraw/zinc/21/83/18/563218318.db2.gz PZVWPFHVVXNAEZ-NRFANRHFSA-N 0 0 327.387 4.303 50 30 EIEARN O=C1CCCC2=C1[C@@H](c1ccccn1)Nc1ccc3ncccc3c12 ZINC000000079853 563218340 /nfs/dbraw/zinc/21/83/40/563218340.db2.gz PZVWPFHVVXNAEZ-OAQYLSRUSA-N 0 0 327.387 4.303 50 30 EIEARN Cc1cc(C)nc(S/C=C/C(=O)c2ccc(Br)cc2)n1 ZINC000000133895 563239891 /nfs/dbraw/zinc/23/98/91/563239891.db2.gz PAUSQYCBWKNUGL-BQYQJAHWSA-N 0 0 349.253 4.345 50 30 EIEARN COc1ccc(/C=N/NC(=S)Nc2ccc(C)cc2)c2ccccc12 ZINC000000256958 563267384 /nfs/dbraw/zinc/26/73/84/563267384.db2.gz FHZQUXDLOUKPDJ-FYJGNVAPSA-N 0 0 349.459 4.477 50 30 EIEARN O=C1CCCC2=C1C(c1cc(Cl)ccc1O)C1=C(CCCC1=O)O2 ZINC000000476891 563334770 /nfs/dbraw/zinc/33/47/70/563334770.db2.gz VETJPATVBSFJDG-UHFFFAOYSA-N 0 0 344.794 4.174 50 30 EIEARN O=C1C[C@](O)(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000001000296 563367662 /nfs/dbraw/zinc/36/76/62/563367662.db2.gz JMQDECCLRBOGQZ-QHCPKHFHSA-N 0 0 326.395 4.458 50 30 aggregator EIEARN CCc1n([C@@H](/C(C)=N/O)c2ccccc2)c(-c2ccccc2)c(C)[n+]1[O-] ZINC000005471881 563533966 /nfs/dbraw/zinc/53/39/66/563533966.db2.gz BQCOZPJAWPMGKK-QCBCRBAMSA-N 0 0 349.434 4.099 50 30 EIEARN O=[N+]([O-])c1ccc(-c2ccc(CN=Nc3nc(Cl)cs3)o2)cc1 ZINC000005715729 563547023 /nfs/dbraw/zinc/54/70/23/563547023.db2.gz LAKBLTGEEDFHEX-FRKPEAEDSA-N 0 0 348.771 4.411 50 30 EIEARN COC(=O)c1sccc1NC=NNc1ccc(Cl)cc1Cl ZINC000006640299 563575954 /nfs/dbraw/zinc/57/59/54/563575954.db2.gz 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N#C[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccsc1 ZINC000071847773 563926519 /nfs/dbraw/zinc/92/65/19/563926519.db2.gz UJZVXEFKLUFGCL-KBPBESRZSA-N 0 0 338.354 4.165 50 30 EIEARN Cc1ccc(CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cc1 ZINC000058285383 563941783 /nfs/dbraw/zinc/94/17/83/563941783.db2.gz XEAIXYICWIKIAM-CQSZACIVSA-N 0 0 326.783 4.188 50 30 EIEARN Cn1c2ccccc2c(C#N)c1CNc1cccc(Br)c1 ZINC000000034937 563967864 /nfs/dbraw/zinc/96/78/64/563967864.db2.gz GRBYBQQAKAEKIW-UHFFFAOYSA-N 0 0 340.224 4.425 50 30 EIEARN O=C1N/C(=N/C2CCCC2)S/C1=C\c1cc2c(cccc2O)s1 ZINC000585136109 563971886 /nfs/dbraw/zinc/97/18/86/563971886.db2.gz QJIBBRPJTCHLQT-DHDCSXOGSA-N 0 0 344.461 4.109 50 30 EIEARN CC(C)OC(=NC(=O)c1ccccc1Cl)NCc1ccccc1 ZINC000004782519 563974365 /nfs/dbraw/zinc/97/43/65/563974365.db2.gz RQJGOLPPDSZSAB-UHFFFAOYSA-N 0 0 330.815 4.051 50 30 EIEARN Cn1ncc2c1CC/C(=C/c1cccc(Oc3ccccc3)c1)C2=O ZINC000060774056 563974746 /nfs/dbraw/zinc/97/47/46/563974746.db2.gz VRCXNXSGMDSGNQ-VBKFSLOCSA-N 0 0 330.387 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COc1cc(C#N)cc(Cl)c1OCc1nc2ccccc2s1 ZINC000006126789 564075370 /nfs/dbraw/zinc/07/53/70/564075370.db2.gz JWFSCVFWWVRXLM-UHFFFAOYSA-N 0 0 330.796 4.409 50 30 EIEARN C[C@@H](CC#N)N(C)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000086282133 564075525 /nfs/dbraw/zinc/07/55/25/564075525.db2.gz XUMSKVQBYLCIRD-AWEZNQCLSA-N 0 0 341.386 4.171 50 30 EIEARN C=C[C@]1(C)C[C@@H](OC)[C@]2(C)[C@@H]3C(=O)CC[C@]3(CC[C@H]2C)[C@@H](C)C1=O ZINC000257359242 564076549 /nfs/dbraw/zinc/07/65/49/564076549.db2.gz ZESCDQYMVQFZRC-SCPNNKJUSA-N 0 0 332.484 4.204 50 30 EIEARN C=C(C)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1 ZINC000006141205 564076750 /nfs/dbraw/zinc/07/67/50/564076750.db2.gz MAXPXSNUWVYSJS-UHFFFAOYSA-N 0 0 346.839 4.359 50 30 EIEARN N#Cc1ccc(C(=O)NCCc2ccc(-c3ccsc3)s2)cc1 ZINC000575414024 564078865 /nfs/dbraw/zinc/07/88/65/564078865.db2.gz KBGLYYGZGGSWLG-UHFFFAOYSA-N 0 0 338.457 4.321 50 30 EIEARN N#CCCN(Cc1ccccn1)C(=O)Nc1ccccc1C(F)(F)F ZINC000075105195 564080023 /nfs/dbraw/zinc/08/00/23/564080023.db2.gz JICIKXUHUPXZRF-UHFFFAOYSA-N 0 0 348.328 4.048 50 30 EIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000006294211 564083644 /nfs/dbraw/zinc/08/36/44/564083644.db2.gz ITBILPQPDBTQNN-SFHVURJKSA-N 0 0 335.403 4.065 50 30 EIEARN Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000006716839 564084823 /nfs/dbraw/zinc/08/48/23/564084823.db2.gz UPZWINBEAHDTLA-UHFFFAOYSA-N 0 0 325.774 4.076 50 30 investigational EIEARN COc1ccc(C=C2CCCC(C(=O)C(F)(F)F)=C2O)cc1OC ZINC000006420354 564085661 /nfs/dbraw/zinc/08/56/61/564085661.db2.gz FVDXDDFQXPUFJK-NJAVVXAXSA-N 0 0 342.313 4.215 50 30 EIEARN Clc1ccc(N2CCN(N=Cc3cccc(Cl)c3)CC2)cc1 ZINC000238901805 564087983 /nfs/dbraw/zinc/08/79/83/564087983.db2.gz MTRLXXMKQPJRLQ-UHFFFAOYSA-N 0 0 334.250 4.150 50 30 EIEARN Cc1ccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)c(Cl)c1 ZINC000007972427 564092646 /nfs/dbraw/zinc/09/26/46/564092646.db2.gz HQSBDMHFABVGIA-UHFFFAOYSA-N 0 0 334.206 4.224 50 30 EIEARN C=C(C)C[C@@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=O)N(C)C ZINC000006662203 564095616 /nfs/dbraw/zinc/09/56/16/564095616.db2.gz LHXRGNOOLAZLJQ-IBGZPJMESA-N 0 0 342.439 4.479 50 30 EIEARN C=C(C)C[C@@H](c1ccco1)N(C(=O)N(C)C)c1ccc(OC)cc1 ZINC000006719861 564096332 /nfs/dbraw/zinc/09/63/32/564096332.db2.gz RFWIKKHRCFPCRH-KRWDZBQOSA-N 0 0 328.412 4.484 50 30 EIEARN CCN(C(=O)[C@H]1CCCc2cccnc21)c1ccc(C#N)c(Cl)c1 ZINC000239367125 564106593 /nfs/dbraw/zinc/10/65/93/564106593.db2.gz AHPVWZSRAVVKHT-INIZCTEOSA-N 0 0 339.826 4.080 50 30 EIEARN CCn1nc(C)c(C(=O)/C=C/c2cccc(OCCCC#N)c2)c1C ZINC000065607330 564108194 /nfs/dbraw/zinc/10/81/94/564108194.db2.gz HKIMLXBKVKMJCH-ZHACJKMWSA-N 0 0 337.423 4.099 50 30 EIEARN COc1cc(C#N)ccc1OCCOc1c(Cl)cccc1Cl ZINC000007470605 564108746 /nfs/dbraw/zinc/10/87/46/564108746.db2.gz JIEQTMJPUDVACP-UHFFFAOYSA-N 0 0 338.190 4.331 50 30 EIEARN C=CCCO[C@H](C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC000065652082 564108754 /nfs/dbraw/zinc/10/87/54/564108754.db2.gz GWBOSTLLYGECIN-ZYHUDNBSSA-N 0 0 334.828 4.107 50 30 EIEARN N#CC[C@@H](NC(=O)Nc1ccc(F)cc1OC(F)F)c1ccccc1 ZINC000170600070 564109314 /nfs/dbraw/zinc/10/93/14/564109314.db2.gz KUHSJOFYFCENEF-CYBMUJFWSA-N 0 0 349.312 4.204 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(F)c2)C[C@H]1c1cccs1 ZINC000170620011 564110171 /nfs/dbraw/zinc/11/01/71/564110171.db2.gz KFKHXWOPDPTCRT-YJBOKZPZSA-N 0 0 344.407 4.207 50 30 EIEARN C=CCCC(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000071186157 564110760 /nfs/dbraw/zinc/11/07/60/564110760.db2.gz MLNDQSDHZHTVFH-UHFFFAOYSA-N 0 0 340.250 4.381 50 30 EIEARN CCN(CC)c1ccc(-c2nnc(SCCCC#N)n2CC)cc1 ZINC000071793898 564111123 /nfs/dbraw/zinc/11/11/23/564111123.db2.gz MUFARPWNDPSYKC-UHFFFAOYSA-N 0 0 343.500 4.207 50 30 EIEARN Cc1ccc(-c2csc([C@H](C#N)C(=O)Nc3ccccc3)n2)cc1 ZINC000089641113 564112826 /nfs/dbraw/zinc/11/28/26/564112826.db2.gz QFEZGRXHDYIHIH-MRXNPFEDSA-N 0 0 333.416 4.364 50 30 EIEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1ccccc1Cl ZINC000252429486 564118411 /nfs/dbraw/zinc/11/84/11/564118411.db2.gz UPKZPSWHNGTULU-UHFFFAOYSA-N 0 0 349.246 4.423 50 30 EIEARN CC(=O)c1cc(C(=O)Nc2ccccc2SCCC#N)ccc1C ZINC000194067770 564120406 /nfs/dbraw/zinc/12/04/06/564120406.db2.gz XBLYKRAVYDMGDZ-UHFFFAOYSA-N 0 0 338.432 4.456 50 30 EIEARN COc1ccccc1NC(=S)NN=C(C)c1ccc(Cl)cc1 ZINC000252600211 564121194 /nfs/dbraw/zinc/12/11/94/564121194.db2.gz DOSOJMYJIOLAFV-UHFFFAOYSA-N 0 0 333.844 4.059 50 30 EIEARN Fc1c(F)c(F)c(N=NCc2c[nH]c3ccccc23)c(F)c1F ZINC000252604172 564121263 /nfs/dbraw/zinc/12/12/63/564121263.db2.gz FXSDVFLZSBJOQD-UHFFFAOYSA-N 0 0 325.240 4.309 50 30 EIEARN CSc1cccc(N=C2S/C(=C\c3cccnc3)C(=O)N2C)c1 ZINC000252623954 564123092 /nfs/dbraw/zinc/12/30/92/564123092.db2.gz PCWPAKLZGYLNGR-ZMMCEODWSA-N 0 0 341.461 4.037 50 30 EIEARN COc1ccc(N=C2S/C(=C\c3ccc(C)s3)C(=O)N2C)cc1 ZINC000252627731 564123380 /nfs/dbraw/zinc/12/33/80/564123380.db2.gz SALPUDMJPCOCQX-UZUODQGYSA-N 0 0 344.461 4.299 50 30 EIEARN CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000007856913 564124260 /nfs/dbraw/zinc/12/42/60/564124260.db2.gz RDJAKBNWFXOVJK-CYBMUJFWSA-N 0 0 328.799 4.032 50 30 EIEARN CC(C)C[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1ccco1)C3=O ZINC000253408572 564130695 /nfs/dbraw/zinc/13/06/95/564130695.db2.gz KWKDSWMFYIGMNB-KPENOIPVSA-N 0 0 338.359 4.335 50 30 EIEARN CN(C(=O)c1ccc(F)c(C#N)c1)c1nc2ccc(Cl)cc2s1 ZINC000253416539 564130752 /nfs/dbraw/zinc/13/07/52/564130752.db2.gz KCOYDUHSAITTBP-UHFFFAOYSA-N 0 0 345.786 4.237 50 30 EIEARN Cc1cc(CNc2nnc(-c3ccc4c(c3)CCC4)o2)ccc1C#N ZINC000253416007 564130757 /nfs/dbraw/zinc/13/07/57/564130757.db2.gz JUWCMNYFWLPCJU-UHFFFAOYSA-N 0 0 330.391 4.018 50 30 EIEARN N#Cc1c(Cl)csc1NC(=O)c1cc(F)cc2cccnc21 ZINC000253416472 564130780 /nfs/dbraw/zinc/13/07/80/564130780.db2.gz FFLQLQZVLVLNMP-UHFFFAOYSA-N 0 0 331.759 4.213 50 30 EIEARN C=CCSc1nc2sc3c(c2c(=O)n1CC=C)CC[C@@H](C)C3 ZINC000002292626 564131747 /nfs/dbraw/zinc/13/17/47/564131747.db2.gz HUOANRFKJLNABX-LLVKDONJSA-N 0 0 332.494 4.047 50 30 EIEARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C#N)cc1 ZINC000000096478 564132812 /nfs/dbraw/zinc/13/28/12/564132812.db2.gz AFMWHAFETUJNQL-JTQLQIEISA-N 0 0 335.190 4.271 50 30 EIEARN COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C#N)sc3n2)cc1 ZINC000000377336 564133136 /nfs/dbraw/zinc/13/31/36/564133136.db2.gz HEGLGCWVHXVAHO-UHFFFAOYSA-N 0 0 349.337 4.445 50 30 EIEARN Cc1cc(N[C@@H](C)c2ccccn2)n2c3ccccc3nc2c1C#N ZINC000012629757 564135368 /nfs/dbraw/zinc/13/53/68/564135368.db2.gz MQEJJVQXOXGDBQ-AWEZNQCLSA-N 0 0 327.391 4.236 50 30 EIEARN C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000012660409 564135469 /nfs/dbraw/zinc/13/54/69/564135469.db2.gz POZRVZJJTULAOH-HTCYUXSBSA-N 0 0 337.463 4.221 50 30 biogenic EIEARN CCOc1cccc(-c2cccc(NC(=O)c3ccc(C)[nH]c3=O)n2)c1 ZINC000328587535 564136527 /nfs/dbraw/zinc/13/65/27/564136527.db2.gz AIFBDJJZVGUESC-UHFFFAOYSA-N 0 0 349.390 4.193 50 30 EIEARN O=C(C[C@H]1CCCCC(=O)N1)Nc1ccccc1[C@@H](O)C(F)(F)F ZINC000328588066 564136573 /nfs/dbraw/zinc/13/65/73/564136573.db2.gz OQGIAGFGJKWCMZ-MEBBXXQBSA-N 0 0 344.333 4.160 50 30 EIEARN COc1ccc(CC(=O)Nc2ccccc2SCCC#N)cc1F ZINC000095953496 564142403 /nfs/dbraw/zinc/14/24/03/564142403.db2.gz ZTMNLRGPWAYBCP-UHFFFAOYSA-N 0 0 344.411 4.021 50 30 EIEARN N#CCCN(Cc1ccco1)C(=O)/C=C(/c1ccccc1)C(F)(F)F ZINC000096257546 564146177 /nfs/dbraw/zinc/14/61/77/564146177.db2.gz KDPGJZDBSDLQJO-VBKFSLOCSA-N 0 0 348.324 4.168 50 30 EIEARN Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000096298044 564146599 /nfs/dbraw/zinc/14/65/99/564146599.db2.gz PBHPDJNDZKTZOJ-SEYXRHQNSA-N 0 0 327.387 4.257 50 30 EIEARN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C#N)c1ccccn1 ZINC000096416154 564147762 /nfs/dbraw/zinc/14/77/62/564147762.db2.gz JWXXCVRKQDLWSN-WFASDCNBSA-N 0 0 332.325 4.155 50 30 EIEARN CCc1ccc(N2CC(=O)C(=C3Sc4ccccc4N3C)C2=N)cc1 ZINC000334157786 564148869 /nfs/dbraw/zinc/14/88/69/564148869.db2.gz ZKTODUVBOHNENY-AYJQPYAOSA-N 0 0 349.459 4.069 50 30 EIEARN CCOc1ccc(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1 ZINC000002641486 564151735 /nfs/dbraw/zinc/15/17/35/564151735.db2.gz KZACACDNSDIZKC-OAHLLOKOSA-N 0 0 336.416 4.114 50 30 EIEARN CCc1c(C)sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1C#N ZINC000002756060 564152409 /nfs/dbraw/zinc/15/24/09/564152409.db2.gz VZSBCIHLROPCGT-UHFFFAOYSA-N 0 0 349.799 4.305 50 30 EIEARN C=CCNC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1 ZINC000003049243 564154678 /nfs/dbraw/zinc/15/46/78/564154678.db2.gz ZASOCYTVFPZKJQ-UHFFFAOYSA-N 0 0 340.448 4.020 50 30 EIEARN C=CCn1cnnc1SCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000008231559 564163741 /nfs/dbraw/zinc/16/37/41/564163741.db2.gz YOHGUJWMLIAJDV-UHFFFAOYSA-N 0 0 341.480 4.487 50 30 EIEARN CC(=NOCc1ccccc1C#N)c1nc2ccccc2n1C(F)F ZINC000245267452 564168944 /nfs/dbraw/zinc/16/89/44/564168944.db2.gz LWMNRUGUUHLJRC-UHFFFAOYSA-N 0 0 340.333 4.244 50 30 EIEARN N#CC1CCN(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000069627051 564171031 /nfs/dbraw/zinc/17/10/31/564171031.db2.gz DZHKLJOJNYYDPH-UHFFFAOYSA-N 0 0 339.370 4.385 50 30 EIEARN Cc1nc(-c2ccsc2)ccc1C(=O)N(C)c1cccc(C#N)c1 ZINC000069737180 564171780 /nfs/dbraw/zinc/17/17/80/564171780.db2.gz KPRKZTQNDVJYQC-UHFFFAOYSA-N 0 0 333.416 4.267 50 30 EIEARN COCCN(CC(C)C)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000069813354 564172306 /nfs/dbraw/zinc/17/23/06/564172306.db2.gz QJKLHCKNNPHBPL-HNNXBMFYSA-N 0 0 349.500 4.075 50 30 EIEARN COc1cccc(/C=C2\CC/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000096973210 1023653530 /nfs/dbraw/zinc/65/35/30/1023653530.db2.gz BYVGHSZRKHTBJK-VRNBXGKJSA-N 0 0 335.359 4.433 50 30 EIEARN C[C@H](NC=CC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000004638248 1024247508 /nfs/dbraw/zinc/24/75/08/1024247508.db2.gz MJQHYOMFEUPBSJ-HHQWOOOKSA-N 0 0 330.225 4.496 50 30 EIEARN O=C(O/N=C\c1ccc(Br)cc1)[C@H]1C[C@H]1c1ccccc1 ZINC000004963510 1025087789 /nfs/dbraw/zinc/08/77/89/1025087789.db2.gz BWIBJURRTJGCLL-BDLQZBCKSA-N 0 0 344.208 4.130 50 30 EIEARN C#CCCC1(CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)N=N1 ZINC000888096264 1025997473 /nfs/dbraw/zinc/99/74/73/1025997473.db2.gz QGYBLRNHVYIEHW-UHFFFAOYSA-N 0 0 338.455 4.217 50 30 EIEARN COc1cc(Br)c(/C=C/C(=O)c2cccs2)cc1O ZINC000007740083 1030219171 /nfs/dbraw/zinc/21/91/71/1030219171.db2.gz MFACMHFLHUJYJQ-SNAWJCMRSA-N 0 0 339.210 4.121 50 30 EIEARN O=C1c2cccc(O)c2C/C1=C\c1ccc(Br)cc1F ZINC000089800243 1030236075 /nfs/dbraw/zinc/23/60/75/1030236075.db2.gz HQFGTVXXCPEQDG-UXBLZVDNSA-N 0 0 333.156 4.116 50 30 EIEARN CC(C)c1ccc(NC(=S)NN=Cc2ccc(F)c(F)c2)cc1 ZINC000254432817 1034413903 /nfs/dbraw/zinc/41/39/03/1034413903.db2.gz UWVSTEFHODUFDI-UHFFFAOYSA-N 0 0 333.407 4.409 50 30 EIEARN Cc1cc(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)cc(C)c1O ZINC000096920240 1039786253 /nfs/dbraw/zinc/78/62/53/1039786253.db2.gz FGWAHTIJYLRSKW-HJWRWDBZSA-N 0 0 335.403 4.032 50 30 EIEARN COc1cc(C)ccc1C(=O)/C=C\c1c(C)nc2sc(C)cn12 ZINC000096930515 1039830238 /nfs/dbraw/zinc/83/02/38/1039830238.db2.gz XRXPNHWYWJVXJK-FPLPWBNLSA-N 0 0 326.421 4.226 50 30 EIEARN N#Cc1ccc(C(=O)/C=C\c2cc(Br)ccc2F)cc1 ZINC000096766323 1041611060 /nfs/dbraw/zinc/61/10/60/1041611060.db2.gz WQNAGBFHPBAFAL-YVMONPNESA-N 0 0 330.156 4.356 50 30 EIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)C(C#N)=C1CCCCCN1 ZINC000017747254 1042691989 /nfs/dbraw/zinc/69/19/89/1042691989.db2.gz HCWQBECDABPINY-NPRIEWAGSA-N 0 0 335.451 4.022 50 30 EIEARN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C[C@H]2CC[C@@H](C)C2)c1C ZINC000131184343 1045171377 /nfs/dbraw/zinc/17/13/77/1045171377.db2.gz QMFJENSZPDTYCS-DYVFJYSZSA-N 0 0 336.439 4.126 50 30 EIEARN COc1cc(/C=C\C(=O)c2cc3ccccc3o2)ccc1OCC#N ZINC000033472640 1047320154 /nfs/dbraw/zinc/32/01/54/1047320154.db2.gz MSDOFVIVQGEROQ-VURMDHGXSA-N 0 0 333.343 4.240 50 30 EIEARN N#Cc1ccc(C(=O)/C=C\c2ccc(Br)cc2F)cc1 ZINC000033474185 1047342125 /nfs/dbraw/zinc/34/21/25/1047342125.db2.gz KIOOHUNRXBSLAK-VURMDHGXSA-N 0 0 330.156 4.356 50 30 EIEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cccnc3)c12 ZINC000033744765 1047833785 /nfs/dbraw/zinc/83/37/85/1047833785.db2.gz RAVDVSHLBGAPFM-KHPPLWFESA-N 0 0 342.402 4.075 50 30 EIEARN C#CCCC1(CCC(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)N=N1 ZINC000952880294 1049679740 /nfs/dbraw/zinc/67/97/40/1049679740.db2.gz JUROTIUSCVVEAA-HDJSIYSDSA-N 0 0 329.831 4.058 50 30 EIEARN C#CCCC1(CCC(=O)N2CCC(c3ccc(F)cc3C)CC2)N=N1 ZINC000952883072 1049681685 /nfs/dbraw/zinc/68/16/85/1049681685.db2.gz WODHJJGWSGTMIH-UHFFFAOYSA-N 0 0 341.430 4.196 50 30 EIEARN Cc1c(C(=NO)c2ccccc2)oc2ccc3c(C)cc(=O)oc3c12 ZINC000252633304 1049753432 /nfs/dbraw/zinc/75/34/32/1049753432.db2.gz WBWJDMXUCAMBSQ-UHFFFAOYSA-N 0 0 333.343 4.383 50 30 EIEARN COc1ccc(C2CC(=O)C(=C(C)Nc3ccc(C)cc3)C(=O)C2)cc1 ZINC000004741323 210266147 /nfs/dbraw/zinc/26/61/47/210266147.db2.gz WIVMGMURMRSITD-UHFFFAOYSA-N 0 0 349.430 4.405 50 30 EIEARN N#Cc1cccc(NC=CC(=O)c2ccc(Br)cc2)c1 ZINC000051318591 214089286 /nfs/dbraw/zinc/08/92/86/214089286.db2.gz ZBOPCBXLOIVTKU-CMDGGOBGSA-N 0 0 327.181 4.129 50 30 EIEARN O=C(/C=C/c1ccco1)c1ccc(-n2nncc2-c2ccccc2)cc1 ZINC000004737641 210263911 /nfs/dbraw/zinc/26/39/11/210263911.db2.gz MVBNDUQXVVTWDY-OUKQBFOZSA-N 0 0 341.370 4.423 50 30 EIEARN COc1ccc([C@H](C#N)N2N=C(C)C[C@H]2c2ccccc2)c(OC)c1 ZINC000004699646 210251927 /nfs/dbraw/zinc/25/19/27/210251927.db2.gz WAQZDUSJOXUGHC-OALUTQOASA-N 0 0 335.407 4.091 50 30 EIEARN CCCCN(CC#Cc1ccccc1)C(=O)CCc1scnc1C ZINC000055307114 214303580 /nfs/dbraw/zinc/30/35/80/214303580.db2.gz RODNBZAQVFAXMJ-UHFFFAOYSA-N 0 0 340.492 4.065 50 30 EIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)sc2C1 ZINC000004611937 210232513 /nfs/dbraw/zinc/23/25/13/210232513.db2.gz IKJPBFXZEUMVCN-DAXOMENPSA-N 0 0 336.460 4.487 50 30 EIEARN O=C(/C=C\c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004582541 210226768 /nfs/dbraw/zinc/22/67/68/210226768.db2.gz YFLUWJRKMBXCSC-KMKOMSMNSA-N 0 0 332.153 4.253 50 30 EIEARN COc1cc(Cl)cc(C=NN=c2[nH]c3ccccc3s2)c1O ZINC000004524109 210213912 /nfs/dbraw/zinc/21/39/12/210213912.db2.gz PMNXKCKPFRNMIO-CAOOACKPSA-N 0 0 333.800 4.110 50 30 EIEARN N#CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000004525781 210214009 /nfs/dbraw/zinc/21/40/09/210214009.db2.gz DUYNSXRAHDMHAB-RVDMUPIBSA-N 0 0 337.762 4.224 50 30 EIEARN CC1(C)CC(=O)C(=C2NC3(CCCCC3)Cc3ccccc32)C(=O)C1 ZINC000100072839 219091031 /nfs/dbraw/zinc/09/10/31/219091031.db2.gz RJUZRDGEFIQVMG-UHFFFAOYSA-N 0 0 337.463 4.205 50 30 EIEARN CC(C)(C)C(=O)Oc1ccc(/N=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000100073261 219091081 /nfs/dbraw/zinc/09/10/81/219091081.db2.gz ZRBHFUMDMMHIKD-XDHOZWIPSA-N 0 0 326.352 4.297 50 30 EIEARN O=C1C(=CNc2ccccc2)C(=O)N(c2ccccc2)C2=C1CCCC2 ZINC000100289414 219096059 /nfs/dbraw/zinc/09/60/59/219096059.db2.gz CQDMCMBMILLHQK-CYVLTUHYSA-N 0 0 344.414 4.426 50 30 EIEARN CN(C)c1ccc([C@H]2CC(=O)C=C(NCc3ccc(F)cc3)C2)cc1 ZINC000100430355 219099106 /nfs/dbraw/zinc/09/91/06/219099106.db2.gz LOZDDJJUOKBJQE-QGZVFWFLSA-N 0 0 338.426 4.012 50 30 EIEARN CCc1ccc(/N=C2/S/C(=C/c3ccccc3O)C(=O)N2C)cc1 ZINC000004470840 210195000 /nfs/dbraw/zinc/19/50/00/210195000.db2.gz JLCJEWDTOIJVNF-KFBYJWCXSA-N 0 0 338.432 4.188 50 30 EIEARN Cc1nn(C)c(Nc2ccccc2)c1/N=C/c1ccccc1[N+](=O)[O-] ZINC000100707960 219105093 /nfs/dbraw/zinc/10/50/93/219105093.db2.gz YPMDZJMBCBTPSX-XDHOZWIPSA-N 0 0 335.367 4.131 50 30 EIEARN CCCCCCCCOc1ccc(/C=C/C(=O)N2CCOCC2)cc1 ZINC000100816436 219108144 /nfs/dbraw/zinc/10/81/44/219108144.db2.gz RWBFQDSAEXHZLT-JLHYYAGUSA-N 0 0 345.483 4.298 50 30 EIEARN COc1ccc(C2=C(Nc3cccnc3)c3ccccc3C2=O)cc1 ZINC000101093917 219116431 /nfs/dbraw/zinc/11/64/31/219116431.db2.gz KAPAONNLZZQLHK-UHFFFAOYSA-N 0 0 328.371 4.267 50 30 EIEARN C=CCN1CCN(C(=O)Nc2cccc(Cl)c2C)c2cccnc21 ZINC000064929541 214814820 /nfs/dbraw/zinc/81/48/20/214814820.db2.gz ANBYMCGSCHEPQD-UHFFFAOYSA-N 0 0 342.830 4.088 50 30 EIEARN Cc1onc(-c2ccccc2Cl)c1C(=O)N(CCC#N)C(C)C ZINC000004323730 210169890 /nfs/dbraw/zinc/16/98/90/210169890.db2.gz MUIYGAHIXADKGA-UHFFFAOYSA-N 0 0 331.803 4.068 50 30 EIEARN CC1CCN(c2oc(COc3cccc(Cl)c3)nc2C#N)CC1 ZINC000004268536 210157337 /nfs/dbraw/zinc/15/73/37/210157337.db2.gz NTBHSMAHACNTNM-UHFFFAOYSA-N 0 0 331.803 4.015 50 30 EIEARN Cc1cccc(NC(=S)N/N=C/c2ccccc2C(F)(F)F)c1 ZINC000004231438 210148183 /nfs/dbraw/zinc/14/81/83/210148183.db2.gz ASXYTGSSSXFYND-KEBDBYFISA-N 0 0 337.370 4.334 50 30 EIEARN O=c1cc(C(F)(F)C(F)(F)OC(F)(F)F)oc2ccccc12 ZINC000004122105 210126005 /nfs/dbraw/zinc/12/60/05/210126005.db2.gz GKDRBMSZZSGCHX-UHFFFAOYSA-N 0 0 330.155 4.014 50 30 EIEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(OS(C)(=O)=O)cc2)cc1 ZINC000004118306 210125230 /nfs/dbraw/zinc/12/52/30/210125230.db2.gz YSOIUAUGEVHNLW-AWNIVKPZSA-N 0 0 344.432 4.045 50 30 EIEARN N#Cc1ccc(-c2csc(NC(=O)CCOc3ccccc3)n2)cc1 ZINC000004076614 210113002 /nfs/dbraw/zinc/11/30/02/210113002.db2.gz TWMKBOUZHQKTIU-UHFFFAOYSA-N 0 0 349.415 4.089 50 30 EIEARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000003899423 210087511 /nfs/dbraw/zinc/08/75/11/210087511.db2.gz UQHGUBKOMONITI-XCVCLJGOSA-N 0 0 332.153 4.253 50 30 EIEARN CCC(C(=O)Nc1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F ZINC000003672016 210072930 /nfs/dbraw/zinc/07/29/30/210072930.db2.gz ACAHWZHNPVLOSA-UHFFFAOYSA-N 0 0 335.194 4.424 50 30 EIEARN Cc1ccc(/N=c2\cc(C)c(C#N)c3[nH]c4ccccc4n32)cc1C ZINC000102491686 219206714 /nfs/dbraw/zinc/20/67/14/219206714.db2.gz OFXXMUOWFNEPNB-BSYVCWPDSA-N 0 0 326.403 4.450 50 30 EIEARN N#Cc1ccccc1COc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000003373260 210020594 /nfs/dbraw/zinc/02/05/94/210020594.db2.gz RKHNKJMATFBNNQ-UHFFFAOYSA-N 0 0 345.276 4.262 50 30 EIEARN COc1ccc(CNc2oc(-c3ccc(Cl)cc3)nc2C#N)cc1 ZINC000003305691 210002068 /nfs/dbraw/zinc/00/20/68/210002068.db2.gz GWMOZSFEMPMYJJ-UHFFFAOYSA-N 0 0 339.782 4.487 50 30 EIEARN COc1ccc([C@H]2C(C(C)=O)=C(C)N=C3c4ccccc4C(=O)C32)cc1 ZINC000102880563 219237272 /nfs/dbraw/zinc/23/72/72/219237272.db2.gz IBTIGLDORFEKTD-IBGZPJMESA-N 0 0 345.398 4.427 50 30 EIEARN Cc1sc(NC(=O)COc2ccc(Cl)c(C)c2)c(C#N)c1C ZINC000002883495 209935947 /nfs/dbraw/zinc/93/59/47/209935947.db2.gz RZUFEYXQMGZHHE-UHFFFAOYSA-N 0 0 334.828 4.216 50 30 EIEARN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCC[C@H](C#N)C1 ZINC000067843391 215228446 /nfs/dbraw/zinc/22/84/46/215228446.db2.gz CEJPRZBKEJHBBW-CYBMUJFWSA-N 0 0 349.356 4.404 50 30 EIEARN N#CCSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000002821248 209922078 /nfs/dbraw/zinc/92/20/78/209922078.db2.gz XNRMGATUSRTHRJ-UHFFFAOYSA-N 0 0 325.340 4.316 50 30 EIEARN O=C(C=CNc1ccc(F)cc1F)c1ccc(OC(F)F)cc1 ZINC000002791438 209914420 /nfs/dbraw/zinc/91/44/20/209914420.db2.gz BSICYXOSOXTOKX-BQYQJAHWSA-N 0 0 325.261 4.375 50 30 EIEARN C=CCSc1nnc2c(n1)OC1(CCCCC1)Nc1ccccc1-2 ZINC000002073783 209818022 /nfs/dbraw/zinc/81/80/22/209818022.db2.gz NLIPTPBEHKYLDU-UHFFFAOYSA-N 0 0 340.452 4.281 50 30 EIEARN CC(C)(C)n1cc(C#N)c2c1nc(C(F)(F)F)nc2C(F)(F)F ZINC000040566633 213352545 /nfs/dbraw/zinc/35/25/45/213352545.db2.gz ROIGHMRWAWPPOY-UHFFFAOYSA-N 0 0 336.239 4.096 50 30 EIEARN Cc1noc([C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)n1 ZINC000069460893 215431015 /nfs/dbraw/zinc/43/10/15/215431015.db2.gz LAGQDFBFKBBRDR-CYBMUJFWSA-N 0 0 334.379 4.002 50 30 EIEARN CC1(C)CC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)C1 ZINC000001104967 209711388 /nfs/dbraw/zinc/71/13/88/209711388.db2.gz KBGOBYABPJHCAJ-UHFFFAOYSA-N 0 0 339.347 4.196 50 30 EIEARN N#Cc1ccc(NC(=O)N(Cc2ccccc2)CC2CCOCC2)cc1 ZINC000069698318 215536114 /nfs/dbraw/zinc/53/61/14/215536114.db2.gz QCTUMODIYBGQNE-UHFFFAOYSA-N 0 0 349.434 4.019 50 30 EIEARN O=C(c1cc(Cl)sc1Cl)[C@@H]1O[C@@H]1C(Cl)(Cl)Cl ZINC000000550727 209660197 /nfs/dbraw/zinc/66/01/97/209660197.db2.gz JCXDLQVDYARZGH-WDSKDSINSA-N 0 0 340.442 4.375 50 30 EIEARN C=CCNC(=O)c1cc2sccc2n1Cc1cccc(Cl)c1 ZINC000037525832 213152676 /nfs/dbraw/zinc/15/26/76/213152676.db2.gz HHQYHIIDHUMMFQ-UHFFFAOYSA-N 0 0 330.840 4.320 50 30 EIEARN CCn1cc(-c2cc(-c3cccnc3)c(C#N)c(N)n2)c2ccccc21 ZINC000071765512 215820714 /nfs/dbraw/zinc/82/07/14/215820714.db2.gz CHAVYYQJNOYSQX-UHFFFAOYSA-N 0 0 339.402 4.239 50 30 EIEARN CC[C@@]1(c2ccc(-c3ccccc3)cc2)O[C@@H](OC(C)=O)C=CC1=O ZINC000071769376 215823403 /nfs/dbraw/zinc/82/34/03/215823403.db2.gz GTAHYLWVBMXNLQ-RTWAWAEBSA-N 0 0 336.387 4.004 50 30 EIEARN C=CCSc1ccccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000032738256 212831719 /nfs/dbraw/zinc/83/17/19/212831719.db2.gz BNLDULPJQXHRFF-UHFFFAOYSA-N 0 0 328.437 4.365 50 30 EIEARN C[C@@H]1CCCN(c2oc(C34CC5CC(CC(C5)C3)C4)nc2C#N)C1 ZINC000072238617 216077747 /nfs/dbraw/zinc/07/77/47/216077747.db2.gz KNZWUMSXJUUNAV-XXWNAHEMSA-N 0 0 325.456 4.250 50 30 EIEARN C=C(C)COc1ccccc1/C=C1\N=C(c2ccc(F)cc2)OC1=O ZINC000000276849 209514972 /nfs/dbraw/zinc/51/49/72/209514972.db2.gz GSEPWCODCBAGLV-BOPFTXTBSA-N 0 0 337.350 4.125 50 30 EIEARN C=CCC(CC=C)(NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000264974 209510614 /nfs/dbraw/zinc/51/06/14/209510614.db2.gz IFIMPPPEBQLQMF-UHFFFAOYSA-N 0 0 336.391 4.372 50 30 EIEARN CCOc1ccc(C2=C(C)SC(/N=C/c3ccco3)=NN2)cc1 ZINC000000263572 209509318 /nfs/dbraw/zinc/50/93/18/209509318.db2.gz BOGJKXRZDGWAAA-WOJGMQOQSA-N 0 0 327.409 4.093 50 30 EIEARN FC(F)(F)c1ccc(C#CCN2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000072312051 216147889 /nfs/dbraw/zinc/14/78/89/216147889.db2.gz PQFZMHHQPNKGEN-LJQANCHMSA-N 0 0 345.364 4.130 50 30 EIEARN CN(C)/C=C/C(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1 ZINC000000142665 209447321 /nfs/dbraw/zinc/44/73/21/209447321.db2.gz TTWCBSZHMSVJBI-ZHACJKMWSA-N 0 0 326.783 4.262 50 30 EIEARN CC(=O)N(C)c1ccc(/N=C/c2ccc(Br)cc2)cc1 ZINC000000096232 209417431 /nfs/dbraw/zinc/41/74/31/209417431.db2.gz RZKNQWSRDKERTF-WOJGMQOQSA-N 0 0 331.213 4.182 50 30 EIEARN CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000000064686 209397226 /nfs/dbraw/zinc/39/72/26/209397226.db2.gz FYMKJXIUOQGUHW-MRXNPFEDSA-N 0 0 340.448 4.295 50 30 EIEARN COc1ccc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000000062170 209396201 /nfs/dbraw/zinc/39/62/01/209396201.db2.gz HCESTFFUUSSTGV-CXUHLZMHSA-N 0 0 335.157 4.117 50 30 EIEARN C[C@H]1CCc2c(C#N)c(/N=C/c3cc([N+](=O)[O-])cs3)sc2C1 ZINC000000062024 209396118 /nfs/dbraw/zinc/39/61/18/209396118.db2.gz DTLUXXAFUHHKCY-AYNSVGMASA-N 0 0 331.422 4.465 50 30 EIEARN N#Cc1c(NC(=S)Nc2ccc(F)cc2)sc2c1CCCC2 ZINC000000046159 209388644 /nfs/dbraw/zinc/38/86/44/209388644.db2.gz ADTKPZZATFKLRW-UHFFFAOYSA-N 0 0 331.441 4.447 50 30 EIEARN C[C@@H]1CCC[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccccc2)O3)C1 ZINC000022625686 212313372 /nfs/dbraw/zinc/31/33/72/212313372.db2.gz VUSYPEUNWOSRBV-GEYIUBJWSA-N 0 0 349.430 4.240 50 30 biogenic EIEARN Cc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCCC3)C2=O)cc1 ZINC000022625610 212313030 /nfs/dbraw/zinc/31/30/30/212313030.db2.gz LXAWTSYLTKULGA-MOSHPQCFSA-N 0 0 349.430 4.303 50 30 biogenic EIEARN Cc1cc(-c2ccccc2C(=O)N(C(C)C)C(C)C)nc(C)c1C#N ZINC000216343737 241182666 /nfs/dbraw/zinc/18/26/66/241182666.db2.gz FDJXGXBOYMPHLW-UHFFFAOYSA-N 0 0 335.451 4.496 50 30 EIEARN Cc1ccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)c(C)c1 ZINC000020060298 212098809 /nfs/dbraw/zinc/09/88/09/212098809.db2.gz XURVALZRQLADRW-UHFFFAOYSA-N 0 0 346.430 4.102 50 30 EIEARN CCCCN(C)c1nc(SC)nc(-c2ccc(C)cc2)c1C#N ZINC000019820651 212071947 /nfs/dbraw/zinc/07/19/47/212071947.db2.gz UYLCUTDTUOVFCH-UHFFFAOYSA-N 0 0 326.469 4.282 50 30 EIEARN Cc1ccc([C@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1 ZINC000019209056 212004320 /nfs/dbraw/zinc/00/43/20/212004320.db2.gz WUKDIDPVRVJYDY-FPOVZHCZSA-N 0 0 341.410 4.401 50 30 EIEARN Cc1nn(-c2ccccc2)c(CSc2nc3ccccc3o2)c1C#N ZINC000018186537 211987214 /nfs/dbraw/zinc/98/72/14/211987214.db2.gz QIVMDLILRWBJJK-UHFFFAOYSA-N 0 0 346.415 4.486 50 30 EIEARN O=C1C=CC(=NNc2ccc(-c3ccccc3)cc2)c2cccnc21 ZINC000018102522 211982168 /nfs/dbraw/zinc/98/21/68/211982168.db2.gz WTSBEICMYJDVFP-LYBHJNIJSA-N 0 0 325.371 4.317 50 30 EIEARN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C)C2=O)c(C)c1 ZINC000017071021 211951335 /nfs/dbraw/zinc/95/13/35/211951335.db2.gz ZDMOMCPQPCQVAN-QHHAONBESA-N 0 0 338.432 4.237 50 30 EIEARN CSc1ccccc1C(=O)O/N=C1\CCCc2c(C)c(O)ccc21 ZINC000015135175 211805774 /nfs/dbraw/zinc/80/57/74/211805774.db2.gz DTFLMFUCFQQRIB-CAPFRKAQSA-N 0 0 341.432 4.320 50 30 EIEARN CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O ZINC000013625831 211593817 /nfs/dbraw/zinc/59/38/17/211593817.db2.gz LKISWPZFGFATJC-GDNBJRDFSA-N 0 0 328.389 4.316 50 30 EIEARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(OC(F)F)cc1 ZINC000012540459 211403672 /nfs/dbraw/zinc/40/36/72/211403672.db2.gz YJGWEFFJEPUSTD-SNVBAGLBSA-N 0 0 333.294 4.241 50 30 EIEARN CCN1C=C(C(=O)C=Cc2ccc(C)cc2)[C@@H](c2ccccc2)NC1=O ZINC000012391342 211366726 /nfs/dbraw/zinc/36/67/26/211366726.db2.gz DGIVDTSICOMJGG-QZMUEMGWSA-N 0 0 346.430 4.248 50 30 EIEARN CCCOc1ccc(-c2nc(SC)nc(Cl)c2C#N)cc1OC ZINC000012016270 211279643 /nfs/dbraw/zinc/27/96/43/211279643.db2.gz QGXVZPRONCVHOE-UHFFFAOYSA-N 0 0 349.843 4.188 50 30 EIEARN C=C(C)COc1ccc2c(COc3cccc(OC)c3)noc2c1 ZINC000011853875 211259278 /nfs/dbraw/zinc/25/92/78/211259278.db2.gz ALNNIKZOCNSWRZ-UHFFFAOYSA-N 0 0 325.364 4.370 50 30 biogenic EIEARN CC(C)(C)OC(=O)NCC#Cc1cc(C(F)(F)F)ccc1Cl ZINC000091690039 218046457 /nfs/dbraw/zinc/04/64/57/218046457.db2.gz RYALGFQMJTYYJD-UHFFFAOYSA-N 0 0 333.737 4.235 50 30 EIEARN N#CCOc1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1 ZINC000010999211 211198702 /nfs/dbraw/zinc/19/87/02/211198702.db2.gz YRSULBZBTPESKF-UHFFFAOYSA-N 0 0 334.347 4.156 50 30 EIEARN C=CCN(C(=O)c1noc2c1CCc1sccc1-2)c1ccccc1 ZINC000009642601 211111186 /nfs/dbraw/zinc/11/11/86/211111186.db2.gz AVGXXIWRFQOTEW-UHFFFAOYSA-N 0 0 336.416 4.335 50 30 EIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000009110555 211040682 /nfs/dbraw/zinc/04/06/82/211040682.db2.gz VAXAGYSDSDNHFI-LJQANCHMSA-N 0 0 349.430 4.373 50 30 EIEARN C[C@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2cccs2)C1 ZINC000009108970 211040242 /nfs/dbraw/zinc/04/02/42/211040242.db2.gz KLSRWGIIRHEFOO-ADLMAVQZSA-N 0 0 335.432 4.366 50 30 EIEARN C[C@@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2cccs2)C1 ZINC000009108969 211039879 /nfs/dbraw/zinc/03/98/79/211039879.db2.gz KLSRWGIIRHEFOO-BBATYDOGSA-N 0 0 335.432 4.366 50 30 EIEARN CCc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCC3)C2=O)cc1 ZINC000009053682 211036058 /nfs/dbraw/zinc/03/60/58/211036058.db2.gz PXUQNOGJMLSIPK-MOSHPQCFSA-N 0 0 349.430 4.167 50 30 EIEARN CCn1cc(/C=C2/Oc3cc(OC(C)=O)ccc3C2=O)c2ccccc21 ZINC000008993056 211027882 /nfs/dbraw/zinc/02/78/82/211027882.db2.gz OQDHGNVPQMZFPP-KEBDBYFISA-N 0 0 347.370 4.203 50 30 EIEARN Cc1ccc(C(=O)NCC(F)(F)F)cc1NCCCC(C)(C)C#N ZINC000095410369 218347674 /nfs/dbraw/zinc/34/76/74/218347674.db2.gz KCRPXTPHTZYSSD-UHFFFAOYSA-N 0 0 341.377 4.029 50 30 EIEARN C[C@H](NC(=O)N(Cc1ccccc1)CC(F)F)c1ccc(C#N)cc1 ZINC000095413284 218350875 /nfs/dbraw/zinc/35/08/75/218350875.db2.gz UFUYKNRDACFKJT-AWEZNQCLSA-N 0 0 343.377 4.096 50 30 EIEARN CC(C)(C#N)c1ccccc1CN(C#N)c1ccc(F)c([N+](=O)[O-])c1 ZINC000095425989 218367772 /nfs/dbraw/zinc/36/77/72/218367772.db2.gz LPYCFPYXCSJJLY-UHFFFAOYSA-N 0 0 338.342 4.023 50 30 EIEARN Fc1nc(F)c(F)c(N=NC2c3ccccc3-c3ccccc32)c1F ZINC000008403227 210948547 /nfs/dbraw/zinc/94/85/47/210948547.db2.gz WDOLMJOXQIFYAU-UHFFFAOYSA-N 0 0 343.283 4.483 50 30 EIEARN Cc1oc(NC(=O)CSc2nc3ccccc3s2)c(C#N)c1C ZINC000008334945 210939367 /nfs/dbraw/zinc/93/93/67/210939367.db2.gz FESCBTYYYYXHHQ-UHFFFAOYSA-N 0 0 343.433 4.109 50 30 EIEARN COc1cc(/C=C/C(=O)c2cccnc2)cc(Cl)c1OC(C)C ZINC000007739845 210841207 /nfs/dbraw/zinc/84/12/07/210841207.db2.gz PBTKURNMWHJMMG-VOTSOKGWSA-N 0 0 331.799 4.427 50 30 EIEARN N#Cc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1 ZINC000006249318 210607126 /nfs/dbraw/zinc/60/71/26/210607126.db2.gz QGLRDPZSOHWQPV-UHFFFAOYSA-N 0 0 339.826 4.454 50 30 EIEARN C=CCn1c(SCC)nc2sc(-c3ccccc3)cc2c1=O ZINC000006111698 210590760 /nfs/dbraw/zinc/59/07/60/210590760.db2.gz PUEOEBYCXDRYDS-UHFFFAOYSA-N 0 0 328.462 4.423 50 30 EIEARN COc1ccc(OCCSc2nc(C)c(C)c(C)c2C#N)cc1 ZINC000005089164 210385871 /nfs/dbraw/zinc/38/58/71/210385871.db2.gz FNOPLRRCBYCNIK-UHFFFAOYSA-N 0 0 328.437 4.058 50 30 EIEARN COc1ccc2cc(/C=C/C(=O)c3ccc4c(c3)OCO4)ccc2c1 ZINC000005129192 210396780 /nfs/dbraw/zinc/39/67/80/210396780.db2.gz CJSWAMSULCBRNG-FPYGCLRLSA-N 0 0 332.355 4.473 50 30 EIEARN O=C(C=CNc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000004981757 210347423 /nfs/dbraw/zinc/34/74/23/210347423.db2.gz GAEMYTOSMWLKCV-MDZDMXLPSA-N 0 0 347.168 4.166 50 30 EIEARN C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC=C)C1=O ZINC000004949480 210337011 /nfs/dbraw/zinc/33/70/11/210337011.db2.gz XTUQHZIRZPKNPQ-QGOAFFKASA-N 0 0 349.411 4.074 50 30 EIEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccccn3)c12 ZINC000004891378 210313757 /nfs/dbraw/zinc/31/37/57/210313757.db2.gz WFYRGLVLODFNTM-VAWYXSNFSA-N 0 0 342.402 4.075 50 30 EIEARN Cc1cc2nnc(SCc3cccc(C#N)c3)n2c2ccccc12 ZINC000004843467 210297807 /nfs/dbraw/zinc/29/78/07/210297807.db2.gz UXKOFILREKFDGN-UHFFFAOYSA-N 0 0 330.416 4.355 50 30 EIEARN C=CCSC1=N/C(=C\c2ccc(Br)s2)C(=O)S1 ZINC000004845284 210297420 /nfs/dbraw/zinc/29/74/20/210297420.db2.gz IIHMXZFXNZJJRU-VURMDHGXSA-N 0 0 346.296 4.400 50 30 EIEARN N#Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)o1 ZINC000004815286 210284441 /nfs/dbraw/zinc/28/44/41/210284441.db2.gz OTPQMAJXEYDXOJ-UHFFFAOYSA-N 0 0 341.823 4.478 50 30 EIEARN N#Cc1ccnc(-c2cccc(C(=O)N3CCC4(CCCC4)C3)c2)c1 ZINC000426411112 257968856 /nfs/dbraw/zinc/96/88/56/257968856.db2.gz ALLFJULBIOZMOG-UHFFFAOYSA-N 0 0 331.419 4.027 50 30 EIEARN Cc1nnc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1 ZINC000328587187 258046199 /nfs/dbraw/zinc/04/61/99/258046199.db2.gz DHSJOVRRJSEKHO-ZIAGYGMSSA-N 0 0 332.407 4.329 50 30 EIEARN N#C[C@H](CCc1ccccc1)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000330032065 258002963 /nfs/dbraw/zinc/00/29/63/258002963.db2.gz HUHVBZBSMNBLPF-KRWDZBQOSA-N 0 0 330.391 4.437 50 30 EIEARN CCn1cc(CC(=O)Nc2ccccc2OCCc2ccccc2)cn1 ZINC000330031745 258003077 /nfs/dbraw/zinc/00/30/77/258003077.db2.gz CPZXFVMXTLNRGL-UHFFFAOYSA-N 0 0 349.434 4.355 50 30 EIEARN C=C(C)Cn1c(CCCNC(=O)c2cccc(C)c2)nc2ccccc21 ZINC000002721555 258047068 /nfs/dbraw/zinc/04/70/68/258047068.db2.gz LQWASNDHEZNZMM-UHFFFAOYSA-N 0 0 347.462 4.283 50 30 EIEARN CSc1ccccc1C(=O)[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000055060814 258015075 /nfs/dbraw/zinc/01/50/75/258015075.db2.gz QSLSLXFOTHJLPP-IBGZPJMESA-N 0 0 349.499 4.355 50 30 EIEARN O=C(Nc1cccc(C#Cc2cccs2)c1)[C@H]1Cc2ccccc2O1 ZINC000012905882 258017124 /nfs/dbraw/zinc/01/71/24/258017124.db2.gz HYFLULRERWPZHP-HXUWFJFHSA-N 0 0 345.423 4.090 50 30 EIEARN C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1C1CC1 ZINC000009390056 258018211 /nfs/dbraw/zinc/01/82/11/258018211.db2.gz HHBZXPAHAPIKCR-UHFFFAOYSA-N 0 0 349.459 4.470 50 30 EIEARN COc1ccc(/C=C/C(=O)C2CC2)cc1Cn1nc(C)c(Cl)c1C ZINC000002802418 258050213 /nfs/dbraw/zinc/05/02/13/258050213.db2.gz ZOCOBAYQLRWSFK-XBXARRHUSA-N 0 0 344.842 4.203 50 30 EIEARN CC/N=C1\S/C(=C/c2ccc(-c3ccccc3F)o2)C(=O)N1CC ZINC000004557764 258051017 /nfs/dbraw/zinc/05/10/17/258051017.db2.gz SRBIKHJYVCOCMH-PDFVYNHPSA-N 0 0 344.411 4.398 50 30 EIEARN CCOc1ccccc1/C=C/C(=O)c1cccc(N2CCCC2=O)c1 ZINC000007350141 258053133 /nfs/dbraw/zinc/05/31/33/258053133.db2.gz ADAXROBBXQOPKW-OUKQBFOZSA-N 0 0 335.403 4.108 50 30 EIEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccs1 ZINC000019923595 258057192 /nfs/dbraw/zinc/05/71/92/258057192.db2.gz KWDXZUJEOXFFEH-CZUORRHYSA-N 0 0 335.469 4.249 50 30 EIEARN CC(C)c1nnc(NC(=O)Cc2cn(C(C)C)c3ccccc23)[nH]1 ZINC000072405289 258064660 /nfs/dbraw/zinc/06/46/60/258064660.db2.gz ZCCLFHRUKKVSFV-UHFFFAOYSA-N 0 0 325.416 4.294 50 30 EIEARN FC(F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000095671190 258067323 /nfs/dbraw/zinc/06/73/23/258067323.db2.gz ZNBGTBKGFZMWKR-UHFFFAOYSA-N 0 0 332.084 4.032 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@H]2c1cccnc1 ZINC000001079473 135653820 /nfs/dbraw/zinc/65/38/20/135653820.db2.gz IUSJMBYQMNDUPV-KRWDZBQOSA-N 0 0 346.430 4.245 50 30 EIEARN C#CCn1c2ccccc2nc1SCCOc1ccccc1Cl ZINC000020897486 518344321 /nfs/dbraw/zinc/34/43/21/518344321.db2.gz RNYXRTAAUQZRLM-UHFFFAOYSA-N 0 0 342.851 4.494 50 30 EIEARN C#Cc1ccc(CN(Cc2cccnc2)Cc2ccccc2OC)cc1 ZINC000055182623 518358010 /nfs/dbraw/zinc/35/80/10/518358010.db2.gz FKXJBNZXWWXAHL-UHFFFAOYSA-N 0 0 342.442 4.274 50 30 EIEARN C=C(C)Cn1c(C(=O)NCc2ccccc2F)cc2sccc21 ZINC000037526082 518638736 /nfs/dbraw/zinc/63/87/36/518638736.db2.gz OERWSGNSDLJFBJ-UHFFFAOYSA-N 0 0 328.412 4.348 50 30 EIEARN C=CCNC(=O)c1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000028234840 518934170 /nfs/dbraw/zinc/93/41/70/518934170.db2.gz LAJOKBMAKLJLPO-UHFFFAOYSA-N 0 0 326.179 4.081 50 30 EIEARN C=CCc1c(C)nc(-c2ccccc2)nc1N=NCc1ccncc1 ZINC000033908475 519121562 /nfs/dbraw/zinc/12/15/62/519121562.db2.gz JJRKCJKZOGFYPI-HMAPJEAMSA-N 0 0 329.407 4.022 50 30 EIEARN C=CCn1c(SCC(=O)C(C)(C)C)nnc1-c1cccc(C)c1 ZINC000005500334 519197009 /nfs/dbraw/zinc/19/70/09/519197009.db2.gz JOURZSSIOVKVPF-UHFFFAOYSA-N 0 0 329.469 4.147 50 30 EIEARN C=CCn1c(SCc2ccccc2)nnc1-c1ccc(OC)cc1 ZINC000004357253 519243138 /nfs/dbraw/zinc/24/31/38/519243138.db2.gz ZSYACLQDUZTGEC-UHFFFAOYSA-N 0 0 337.448 4.432 50 30 EIEARN COC(=O)c1ccccc1-c1ccc(/C=C/C(=O)c2ccc(O)cc2)o1 ZINC000016405687 522252647 /nfs/dbraw/zinc/25/26/47/522252647.db2.gz KOYPLTLHWVQCHL-ZRDIBKRKSA-N 0 0 348.354 4.335 50 30 EIEARN CN(CC(=O)Nc1cccc(F)c1)Cc1ncc(-c2ccccc2)o1 ZINC000049611677 522404609 /nfs/dbraw/zinc/40/46/09/522404609.db2.gz ZLOVSBQKUIKHJW-UHFFFAOYSA-N 0 0 339.370 4.201 50 30 EIEARN COc1ccc(C=CC(=O)c2nc(-c3ccccc3)[nH]c2C)c(OC)c1 ZINC000036394160 523404329 /nfs/dbraw/zinc/40/43/29/523404329.db2.gz GTLFRRPMTLXSST-ZRDIBKRKSA-N 0 0 348.402 4.298 50 30 EIEARN COc1ccc(/C=C\C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1 ZINC000097053790 523434561 /nfs/dbraw/zinc/43/45/61/523434561.db2.gz JDNYYPDDVBIJAE-MLPAPPSSSA-N 0 0 338.407 4.121 50 30 EIEARN CCn1nc(C)c(C(=O)/C=C\c2cccc(OCCCC#N)c2)c1C ZINC000096189876 523619629 /nfs/dbraw/zinc/61/96/29/523619629.db2.gz HKIMLXBKVKMJCH-KHPPLWFESA-N 0 0 337.423 4.099 50 30 EIEARN Cc1cc(C)c(C#N)c(NCc2cccnc2OCc2ccccc2)n1 ZINC000097476301 524215875 /nfs/dbraw/zinc/21/58/75/524215875.db2.gz AYAVKCSWLTZJKL-UHFFFAOYSA-N 0 0 344.418 4.156 50 30 EIEARN Cc1ccc(C[C@H](C#N)Sc2nnc(CC3CCCC3)[nH]2)cc1 ZINC000031798140 524667300 /nfs/dbraw/zinc/66/73/00/524667300.db2.gz GTBHTWJDIIPYKW-MRXNPFEDSA-N 0 0 326.469 4.073 50 30 EIEARN Cc1ccc(C[C@H](C#N)Sc2nnc(Cc3ccccc3)o2)cc1 ZINC000006880040 524670270 /nfs/dbraw/zinc/67/02/70/524670270.db2.gz RUKLTSSWFBXHOM-QGZVFWFLSA-N 0 0 335.432 4.196 50 30 EIEARN Cc1cccc(OCCC(=O)[C@H](C#N)c2nc3ccccc3s2)c1 ZINC000002624752 524729308 /nfs/dbraw/zinc/72/93/08/524729308.db2.gz RBVWOASMJWUJLC-HNNXBMFYSA-N 0 0 336.416 4.250 50 30 EIEARN Oc1ccccc1/C=N/c1ccccc1OCC(F)(F)C(F)F ZINC000000221434 526370128 /nfs/dbraw/zinc/37/01/28/526370128.db2.gz ONMCFHKBLCRTDY-ZVBGSRNCSA-N 0 0 327.277 4.422 50 30 EIEARN Cc1nc(/C=C\c2cccnc2)sc1C(=O)/C=C/c1cccnc1 ZINC000096257383 526628748 /nfs/dbraw/zinc/62/87/48/526628748.db2.gz MYBKPNMOUQHJIQ-FFELTBSMSA-N 0 0 333.416 4.308 50 30 EIEARN N=C(NOC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000004905491 526805991 /nfs/dbraw/zinc/80/59/91/526805991.db2.gz RTANNFRIUGTUHI-UHFFFAOYSA-N 0 0 344.414 4.072 50 30 EIEARN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3ccccc3)cc2)nc1 ZINC000004047966 527359768 /nfs/dbraw/zinc/35/97/68/527359768.db2.gz OYOUZDTUXORMMY-CIAFOILYSA-N 0 0 348.362 4.015 50 30 EIEARN Cc1ccsc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000239173925 564088008 /nfs/dbraw/zinc/08/80/08/564088008.db2.gz OXQCAOMVOUUCSL-UHFFFAOYSA-N 0 0 334.857 4.139 50 30 EIEARN C=CCSc1nnc(NC(=O)c2cc3c(s2)CCCC3)s1 ZINC000007594147 564118704 /nfs/dbraw/zinc/11/87/04/564118704.db2.gz UVMNJHIJLLVPEJ-UHFFFAOYSA-N 0 0 337.495 4.009 50 30 EIEARN Oc1ccc(/C=N/c2ccc(/N=C/c3ccc(O)c(O)c3)cc2)cc1O ZINC000000125289 563236573 /nfs/dbraw/zinc/23/65/73/563236573.db2.gz GFCCMZCNTLLOHP-XHQRYOPUSA-N 0 0 348.358 4.010 50 30 EIEARN Clc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1Cl ZINC000000136446 563240611 /nfs/dbraw/zinc/24/06/11/563240611.db2.gz CJPIZAHTNFOETB-DEDYPNTBSA-N 0 0 334.250 4.150 50 30 EIEARN CC(=NOC(=O)Nc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000000150901 563246077 /nfs/dbraw/zinc/24/60/77/563246077.db2.gz JXTBEPGVPQCCKU-YBFXNURJSA-N 0 0 339.307 4.314 50 30 EIEARN O=C1CCCC2=Nc3nc4ccccc4n3[C@@H](c3ccc(F)cc3)C12 ZINC000000222573 563262703 /nfs/dbraw/zinc/26/27/03/563262703.db2.gz QCUDLPRHYLFHFT-IBGZPJMESA-N 0 0 333.366 4.197 50 30 EIEARN Cc1ccc(/N=C/c2ccc(O)c(I)c2)cc1 ZINC000000563774 563347686 /nfs/dbraw/zinc/34/76/86/563347686.db2.gz CJZJDJVJYVRFJX-CXUHLZMHSA-N 0 0 337.160 4.056 50 30 EIEARN COc1ccc([C@H](C#N)c2nc3ccccc3nc2C(F)(F)F)cc1 ZINC000001404512 563387752 /nfs/dbraw/zinc/38/77/52/563387752.db2.gz NBZMRRBKFPEXIL-ZDUSSCGKSA-N 0 0 343.308 4.313 50 30 EIEARN Cc1ccc(N2CCN(/N=C/c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000001743475 563409261 /nfs/dbraw/zinc/40/92/61/563409261.db2.gz YMVYNCROCCQKOP-HAVVHWLPSA-N 0 0 335.495 4.449 50 30 EIEARN CCn1c2ccccc2c2cc(/C=N/n3c(C)cc(C)cc3=O)ccc21 ZINC000002132368 563423274 /nfs/dbraw/zinc/42/32/74/563423274.db2.gz LSBGGFNZMLJLPE-OEAKJJBVSA-N 0 0 343.430 4.475 50 30 EIEARN Fc1ccc(NC(=S)N/N=C/c2ccccc2C(F)(F)F)cc1 ZINC000002506437 563434957 /nfs/dbraw/zinc/43/49/57/563434957.db2.gz HFRSIFFKDUWGEQ-AWQFTUOYSA-N 0 0 341.333 4.165 50 30 EIEARN CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000005223029 563523185 /nfs/dbraw/zinc/52/31/85/563523185.db2.gz CKWQIRUPSJUXDK-MHWRWJLKSA-N 0 0 334.173 4.193 50 30 EIEARN CC(C)(C)c1cc(C=Nn2cn[nH]c2=S)cc(C(C)(C)C)c1O ZINC000005685923 563545512 /nfs/dbraw/zinc/54/55/12/563545512.db2.gz GKRQYYVRWSTHOQ-DJKKODMXSA-N 0 0 332.473 4.123 50 30 EIEARN O=C1c2ccccc2C(=O)C(Nc2ccc(F)c(Cl)c2)=C1Cl ZINC000005776148 563549697 /nfs/dbraw/zinc/54/96/97/563549697.db2.gz HKQMCXQXCWBEAD-UHFFFAOYSA-N 0 0 336.149 4.421 50 30 EIEARN O/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000006926351 563591686 /nfs/dbraw/zinc/59/16/86/563591686.db2.gz IUVVHAPWTZVFRB-CAOOACKPSA-N 0 0 340.604 4.490 50 30 EIEARN CN(C(=O)c1cccc(Oc2nccs2)c1)c1cccc(C#N)c1 ZINC000071914734 563614204 /nfs/dbraw/zinc/61/42/04/563614204.db2.gz PHZYGEWXXAARQQ-UHFFFAOYSA-N 0 0 335.388 4.084 50 30 EIEARN O=C(ON=C1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000003042469 563629345 /nfs/dbraw/zinc/62/93/45/563629345.db2.gz LAOJXOYLHXJMIH-UHFFFAOYSA-N 0 0 344.326 4.185 50 30 EIEARN CCCCCCCCCCCCNC(=O)C(=O)Nc1nccs1 ZINC000008403889 563629350 /nfs/dbraw/zinc/62/93/50/563629350.db2.gz RYBYKHDWYRKFEL-UHFFFAOYSA-N 0 0 339.505 4.119 50 30 EIEARN CC(=O)N(c1nc(COc2cccc(C#N)c2)cs1)c1ccccc1 ZINC000032668036 563678533 /nfs/dbraw/zinc/67/85/33/563678533.db2.gz XWMWXUWFYPWBTC-UHFFFAOYSA-N 0 0 349.415 4.278 50 30 EIEARN O=C(Oc1oc(-c2ccco2)nc1/C=N/c1ccccc1)c1ccco1 ZINC000013115887 563688399 /nfs/dbraw/zinc/68/83/99/563688399.db2.gz ZBVMFYIAGCLVCR-UDWIEESQSA-N 0 0 348.314 4.497 50 30 EIEARN Cc1cccc(C[C@H]2S/C(=N/c3ccc(Cl)cc3)NC2=O)c1 ZINC000013477828 563699638 /nfs/dbraw/zinc/69/96/38/563699638.db2.gz GEPFNCBPCOOYMU-OAHLLOKOSA-N 0 0 330.840 4.110 50 30 EIEARN N#Cc1cc([N+](=O)[O-])cnc1N[C@H](Cc1ccccc1)c1ccccc1 ZINC000032806367 563740969 /nfs/dbraw/zinc/74/09/69/563740969.db2.gz NHPYWBLMQJCZNP-LJQANCHMSA-N 0 0 344.374 4.257 50 30 EIEARN COc1ccccc1/C=C1/S/C(=N/c2ccccc2Cl)NC1=O ZINC000015011783 563772240 /nfs/dbraw/zinc/77/22/40/563772240.db2.gz KFHPWPVHEFLMIH-XNTDXEJSSA-N 0 0 344.823 4.240 50 30 EIEARN CCCn1c(Sc2ccc(C#N)cn2)nnc1-c1cccc(C)c1 ZINC000032907704 563799687 /nfs/dbraw/zinc/79/96/87/563799687.db2.gz OCUNSPKVFYTIIZ-UHFFFAOYSA-N 0 0 335.436 4.081 50 30 EIEARN COc1cc(/C=N/O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016195478 563805582 /nfs/dbraw/zinc/80/55/82/563805582.db2.gz UDDAHUCFQIMMRT-QGMBQPNBSA-N 0 0 326.179 4.389 50 30 EIEARN O=C1c2ccccc2S/C1=C/c1cc(Br)ccc1O ZINC000016524250 563814050 /nfs/dbraw/zinc/81/40/50/563814050.db2.gz KEDNLJYCAVEKIQ-RIYZIHGNSA-N 0 0 333.206 4.484 50 30 EIEARN CC(=O)N1c2ccccc2N=C2C[C@H](C)CC(=O)C2[C@@H]1c1ccccc1 ZINC000017016731 563828878 /nfs/dbraw/zinc/82/88/78/563828878.db2.gz FQLMAIUTXHMSQM-FPTDNZKUSA-N 0 0 346.430 4.459 50 30 EIEARN C/C(=N/NS(=O)(=O)c1ccc(CC(C)C)cc1)C1CCCCC1 ZINC000017070787 563833190 /nfs/dbraw/zinc/83/31/90/563833190.db2.gz GWKGMUKFVOQSQY-CYVLTUHYSA-N 0 0 336.501 4.120 50 30 EIEARN N#C[C@H](c1ccccc1)[C@H]1CCCCN1C(=O)c1ccnc(Cl)c1 ZINC000072297926 563912677 /nfs/dbraw/zinc/91/26/77/563912677.db2.gz SHXKECXFMFVRIM-IAGOWNOFSA-N 0 0 339.826 4.037 50 30 EIEARN C[C@H](NC(=O)c1occc1COc1ccccc1)c1cccc(C#N)c1 ZINC000072304551 563914522 /nfs/dbraw/zinc/91/45/22/563914522.db2.gz ZPZWHSIKMXSEMX-HNNXBMFYSA-N 0 0 346.386 4.221 50 30 EIEARN N#CC1CCC(CNC(=O)Nc2cc(Cl)c(Cl)cn2)CC1 ZINC000331268634 563933357 /nfs/dbraw/zinc/93/33/57/563933357.db2.gz KUQWGKCKXJYMLX-UHFFFAOYSA-N 0 0 327.215 4.044 50 30 EIEARN Cc1c2ccccc2sc1C(=O)N(CCC#N)Cc1cccnc1 ZINC000058368072 563944007 /nfs/dbraw/zinc/94/40/07/563944007.db2.gz QTNNKBKWWPCHJZ-UHFFFAOYSA-N 0 0 335.432 4.161 50 30 EIEARN C=C(C)Cn1c(SCC)nc2c(c1=O)C(C)(C)Cc1ccccc1-2 ZINC000000037362 563968381 /nfs/dbraw/zinc/96/83/81/563968381.db2.gz NWPYBELKLHWQKJ-UHFFFAOYSA-N 0 0 340.492 4.432 50 30 EIEARN Oc1ccccc1/C=N/c1ccccc1-c1nnc2n1CCCCC2 ZINC000000088249 563976406 /nfs/dbraw/zinc/97/64/06/563976406.db2.gz VDOOATFLVHFHGU-KGENOOAVSA-N 0 0 332.407 4.128 50 30 EIEARN COc1ccc(OCc2nc(C#N)c(N[C@H](C)c3ccccc3)o2)cc1 ZINC000000108191 563986572 /nfs/dbraw/zinc/98/65/72/563986572.db2.gz BFIWLTQVBXPJLZ-CQSZACIVSA-N 0 0 349.390 4.307 50 30 EIEARN O=C1CC(c2ccccc2)CC(=O)C1=CNc1cccc(Cl)c1 ZINC000000226395 563988959 /nfs/dbraw/zinc/98/89/59/563988959.db2.gz YBOZAVMMHVQXGU-UHFFFAOYSA-N 0 0 325.795 4.352 50 30 EIEARN COc1ccc(-n2cnc3cc(/N=C/c4ccccc4O)ccc32)cc1 ZINC000000255279 563989552 /nfs/dbraw/zinc/98/95/52/563989552.db2.gz ZCEVNBDJZIXNQY-LPYMAVHISA-N 0 0 343.386 4.490 50 30 EIEARN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C)C3)ccc1O ZINC000000289330 563990224 /nfs/dbraw/zinc/99/02/24/563990224.db2.gz AOIBVXLIRCSRKC-JZOCJUILSA-N 0 0 326.421 4.209 50 30 EIEARN COc1ccc(NC=CC(=O)c2ccc(Oc3ncccn3)cc2)cc1 ZINC000100364558 563992223 /nfs/dbraw/zinc/99/22/23/563992223.db2.gz VXFGKNVXDPCMHO-SDNWHVSQSA-N 0 0 347.374 4.086 50 30 EIEARN COc1ccc(CN=Cc2[nH]c(-c3ccccc3)nc2Cl)cc1 ZINC000100359439 563992243 /nfs/dbraw/zinc/99/22/43/563992243.db2.gz ZPQQWNWOZLUVLO-UDWIEESQSA-N 0 0 325.799 4.358 50 30 EIEARN N#Cc1ccc(OCC(=O)N(c2ccccc2)C2CCCCC2)cc1 ZINC000005108474 563994344 /nfs/dbraw/zinc/99/43/44/563994344.db2.gz AGNIQKFMGRZCOL-UHFFFAOYSA-N 0 0 334.419 4.303 50 30 EIEARN COCc1cc(C)nc(N=NCc2ccc(Cl)c(Cl)c2)c1C#N ZINC000005128091 563994484 /nfs/dbraw/zinc/99/44/84/563994484.db2.gz ISSQCGFLFDKWDN-DNTJNYDQSA-N 0 0 349.221 4.161 50 30 EIEARN COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1nc(C)cc(C)n1 ZINC000329192776 563996038 /nfs/dbraw/zinc/99/60/38/563996038.db2.gz SEVQMEJSTZAQJY-OAHLLOKOSA-N 0 0 325.412 4.200 50 30 EIEARN Cc1cccc2cc(C#N)c(SCC(=O)OC3CCCCC3)nc12 ZINC000000421669 563998315 /nfs/dbraw/zinc/99/83/15/563998315.db2.gz IGVHNPHRVJREHS-UHFFFAOYSA-N 0 0 340.448 4.383 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1cccc(F)c1 ZINC000000428067 563998860 /nfs/dbraw/zinc/99/88/60/563998860.db2.gz MXKZHQRWDHTQIW-MAUKXSAKSA-N 0 0 344.407 4.207 50 30 EIEARN COc1ccccc1NC=CC(=O)c1ccc(Br)cc1 ZINC000000436389 563999529 /nfs/dbraw/zinc/99/95/29/563999529.db2.gz PCLCFNLWYZLRDY-ZHACJKMWSA-N 0 0 332.197 4.266 50 30 EIEARN O=C1c2ccc(OCc3ccccc3)cc2O/C1=C\c1cccnc1 ZINC000005181487 564000075 /nfs/dbraw/zinc/00/00/75/564000075.db2.gz NJYKOWOTKBCQON-JAIQZWGSSA-N 0 0 329.355 4.277 50 30 EIEARN C[C@H]1CCc2c(C#N)c(NC(=O)Cc3ccc(F)cc3)sc2C1 ZINC000005268340 564001973 /nfs/dbraw/zinc/00/19/73/564001973.db2.gz HFFOALGNQFXSMP-NSHDSACASA-N 0 0 328.412 4.065 50 30 EIEARN COc1cc(OC)c(/N=C\c2cc(Cl)ccc2O)cc1Cl ZINC000005288578 564002448 /nfs/dbraw/zinc/00/24/48/564002448.db2.gz XNISEIWKUKATAV-LSCVHKIXSA-N 0 0 326.179 4.467 50 30 EIEARN Cc1ccc(CN=Nc2nc3ccccc3nc2C(F)(F)F)cc1 ZINC000005380259 564003168 /nfs/dbraw/zinc/00/31/68/564003168.db2.gz OXCOUPQUMRFHJT-UFFVCSGVSA-N 0 0 330.313 4.403 50 30 EIEARN N#Cc1ccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)cc1 ZINC000005498207 564004715 /nfs/dbraw/zinc/00/47/15/564004715.db2.gz FDJVFWCVENWMPY-UHFFFAOYSA-N 0 0 341.370 4.210 50 30 EIEARN CSc1nc(-c2ccccc2)c(C#N)c(N(C)Cc2ccccc2)n1 ZINC000005607389 564006328 /nfs/dbraw/zinc/00/63/28/564006328.db2.gz IRDQKMKARQTXHJ-UHFFFAOYSA-N 0 0 346.459 4.374 50 30 EIEARN Cc1cc(C)c(C#N)c(SCCCC(=O)c2ccc(F)cc2)n1 ZINC000005643213 564006946 /nfs/dbraw/zinc/00/69/46/564006946.db2.gz KKFGSGCVSWXMRJ-UHFFFAOYSA-N 0 0 328.412 4.464 50 30 EIEARN CCOc1ccc2ncc(C#N)c(Nc3ccc4c(c3)OCCO4)c2c1 ZINC000017315673 564011668 /nfs/dbraw/zinc/01/16/68/564011668.db2.gz HTIAJTMZVUKYKJ-UHFFFAOYSA-N 0 0 347.374 4.020 50 30 EIEARN Cc1nc(-c2cccs2)sc1C(=O)Nc1sccc1C#N ZINC000017344551 564011772 /nfs/dbraw/zinc/01/17/72/564011772.db2.gz CBGBBPVQJHKFDC-UHFFFAOYSA-N 0 0 331.447 4.366 50 30 EIEARN COc1cc2c(c(OC)c1)[C@@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000018200446 564018742 /nfs/dbraw/zinc/01/87/42/564018742.db2.gz TWLKMQGTTNSGSC-IBGZPJMESA-N 0 0 335.403 4.268 50 30 EIEARN C[C@@H](/N=C1\SCCN1C(=O)CCc1ccccc1)c1ccccc1 ZINC000101379338 564019415 /nfs/dbraw/zinc/01/94/15/564019415.db2.gz MPGWSKDVOCHHRL-MODMUFLJSA-N 0 0 338.476 4.312 50 30 EIEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000000533194 564021965 /nfs/dbraw/zinc/02/19/65/564021965.db2.gz QUDRLRMKBXQZIE-INIZCTEOSA-N 0 0 331.419 4.051 50 30 EIEARN COc1cc(C#N)ccc1OCc1ccc(F)cc1Br ZINC000014787548 564023847 /nfs/dbraw/zinc/02/38/47/564023847.db2.gz ZRSCLNWNQOZMQC-UHFFFAOYSA-N 0 0 336.160 4.047 50 30 EIEARN Cc1cc2sc(=NC=C3C(=O)CC(C)(C)CC3=O)[nH]c2c(C)c1 ZINC000044835301 564027306 /nfs/dbraw/zinc/02/73/06/564027306.db2.gz UWOUHFASOUZCOF-UHFFFAOYSA-N 0 0 328.437 4.167 50 30 EIEARN Cc1cc(O[C@H](C)C(=O)Nc2sccc2C#N)ccc1C(C)C ZINC000048356537 564031394 /nfs/dbraw/zinc/03/13/94/564031394.db2.gz PAZLYOTVICSFMR-CYBMUJFWSA-N 0 0 328.437 4.458 50 30 EIEARN N=C(NC(=O)Cc1cccc2ccccc21)Nc1nc2ccccc2[nH]1 ZINC000006909626 564033788 /nfs/dbraw/zinc/03/37/88/564033788.db2.gz WWAXVSXWVCYINJ-UHFFFAOYSA-N 0 0 343.390 4.262 50 30 EIEARN N#Cc1ccc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 ZINC000024928561 564034689 /nfs/dbraw/zinc/03/46/89/564034689.db2.gz IDQSBRHVDMGJBV-QFIPXVFZSA-N 0 0 338.410 4.346 50 30 EIEARN CC[C@H]1CCc2sc(-c3nnc(S[C@@H](C)C#N)n3C)cc2C1 ZINC000005776368 564035881 /nfs/dbraw/zinc/03/58/81/564035881.db2.gz QDOIBKNWULSQLE-QWRGUYRKSA-N 0 0 332.498 4.063 50 30 EIEARN N#CC1(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)CCCC1 ZINC000225472367 564047086 /nfs/dbraw/zinc/04/70/86/564047086.db2.gz FRZDJCWGMOINGH-UHFFFAOYSA-N 0 0 345.855 4.164 50 30 EIEARN N#CCCN(C(=O)[C@H]1CCC(F)(F)C1)C12CC3CC(CC(C3)C1)C2 ZINC000239782569 564051693 /nfs/dbraw/zinc/05/16/93/564051693.db2.gz CPHFVYZFCJCFEY-KUNBBXKYSA-N 0 0 336.426 4.133 50 30 EIEARN C=CCN1C(=O)CSC1=NN=C(C)c1ccc(-c2ccccc2)cc1 ZINC000001023622 564054162 /nfs/dbraw/zinc/05/41/62/564054162.db2.gz RTQPNNPNCIRKFL-UHFFFAOYSA-N 0 0 349.459 4.195 50 30 EIEARN CCOc1cc(C#N)c(NC(=O)c2ccc(Cl)cc2)cc1OCC ZINC000001075554 564054285 /nfs/dbraw/zinc/05/42/85/564054285.db2.gz GWCGRLMPKPYLCF-UHFFFAOYSA-N 0 0 344.798 4.261 50 30 EIEARN O=C1CCCC2=C1[C@H](c1ccsc1)CC(=O)N2c1ccccc1F ZINC000001079512 564054331 /nfs/dbraw/zinc/05/43/31/564054331.db2.gz RYTIKKALJORDDL-ZDUSSCGKSA-N 0 0 341.407 4.415 50 30 EIEARN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3[C@H](C)CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C ZINC000257356532 564055934 /nfs/dbraw/zinc/05/59/34/564055934.db2.gz IVCRCPJOLWECJU-BKVJCCIOSA-N 0 0 330.468 4.306 50 30 EIEARN C[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H](CCC34OCCO4)[C@@H]12 ZINC000261492011 564056146 /nfs/dbraw/zinc/05/61/46/564056146.db2.gz PFJAVULBZSJLRQ-BXIYESCSSA-N 0 0 342.479 4.283 50 30 EIEARN Cc1cc(C)c(NC(=O)N2CCC(C#N)(c3ccccc3)CC2)c(C)n1 ZINC000299783864 564060817 /nfs/dbraw/zinc/06/08/17/564060817.db2.gz YTLVSIIIRAYDBA-UHFFFAOYSA-N 0 0 348.450 4.096 50 30 EIEARN Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c(C)c1 ZINC000000514065 564062790 /nfs/dbraw/zinc/06/27/90/564062790.db2.gz NBDIBFSOHQZTQT-UHFFFAOYSA-N 0 0 340.448 4.133 50 30 EIEARN Cc1c(N[C@@H]2CCCOc3ccc(F)cc32)cc(C#N)cc1[N+](=O)[O-] ZINC000084028382 564065812 /nfs/dbraw/zinc/06/58/12/564065812.db2.gz JPDYLGXYOXUURA-OAHLLOKOSA-N 0 0 341.342 4.240 50 30 EIEARN C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)c1cnccn1 ZINC000184991940 564070879 /nfs/dbraw/zinc/07/08/79/564070879.db2.gz QBODBVORBGXMSS-OAHLLOKOSA-N 0 0 330.391 4.100 50 30 EIEARN C=C(C)CSc1ncnc2c3cc4c(nc3oc21)CC(C)(C)OC4 ZINC000013207131 564073748 /nfs/dbraw/zinc/07/37/48/564073748.db2.gz SAMQDXKORCTPDY-UHFFFAOYSA-N 0 0 341.436 4.291 50 30 EIEARN C=CCNC(=O)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21 ZINC000013641283 564073960 /nfs/dbraw/zinc/07/39/60/564073960.db2.gz KJKWRVCPKZWXRX-UHFFFAOYSA-N 0 0 345.358 4.066 50 30 EIEARN C=CCc1cccc2cc(C(=O)N[C@@H](C)c3ccccc3)c(=O)oc21 ZINC000000105747 564074511 /nfs/dbraw/zinc/07/45/11/564074511.db2.gz PNHQCDKQSDBGIV-AWEZNQCLSA-N 0 0 333.387 4.013 50 30 EIEARN CCOc1ccc2c(c1)S/C(=C\c1ccc(N(C)C)cc1)C2=O ZINC000005333171 564075695 /nfs/dbraw/zinc/07/56/95/564075695.db2.gz BIDQVYJZVBTTAV-WQRHYEAKSA-N 0 0 325.433 4.481 50 30 EIEARN C[C@H]1CCc2sc(NC(=O)c3c(F)cccc3F)c(C#N)c2C1 ZINC000001518407 564075751 /nfs/dbraw/zinc/07/57/51/564075751.db2.gz PAMMMKKGLCUKDZ-VIFPVBQESA-N 0 0 332.375 4.275 50 30 EIEARN N#Cc1ccc(COC(=O)CCCc2nc3ccccc3s2)cc1 ZINC000006141063 564076761 /nfs/dbraw/zinc/07/67/61/564076761.db2.gz UEDRLDFEPSNVBO-UHFFFAOYSA-N 0 0 336.416 4.234 50 30 EIEARN C#CCSc1cccc(C(=O)Nc2nn(-c3ccccc3)cc2C)c1 ZINC000087255708 564077682 /nfs/dbraw/zinc/07/76/82/564077682.db2.gz PHDPIWCUIFREGZ-UHFFFAOYSA-N 0 0 347.443 4.158 50 30 EIEARN C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000012902319 564077716 /nfs/dbraw/zinc/07/77/16/564077716.db2.gz MJEYEEWUEYSYNC-INIZCTEOSA-N 0 0 343.430 4.170 50 30 EIEARN C[C@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc2ccccc2c1 ZINC000012926551 564078512 /nfs/dbraw/zinc/07/85/12/564078512.db2.gz KOAQSSKRLBZIDX-HOTGVXAUSA-N 0 0 344.414 4.356 50 30 EIEARN COC(=O)c1cc(SCc2cc(C#N)ccc2F)ccc1Cl ZINC000075109008 564080250 /nfs/dbraw/zinc/08/02/50/564080250.db2.gz UVHKZPYLSNPHFN-UHFFFAOYSA-N 0 0 335.787 4.430 50 30 EIEARN N#C[C@H](NC(=O)c1ccccc1Br)c1cccc(Cl)c1 ZINC000075138023 564080595 /nfs/dbraw/zinc/08/05/95/564080595.db2.gz MWZBLTVOYVLQSC-AWEZNQCLSA-N 0 0 349.615 4.097 50 30 EIEARN CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(OC(F)F)cc2)c1 ZINC000007743976 564082161 /nfs/dbraw/zinc/08/21/61/564082161.db2.gz SWEZICBKKMILKD-JXMROGBWSA-N 0 0 331.318 4.143 50 30 EIEARN N#Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Cl ZINC000006224827 564083086 /nfs/dbraw/zinc/08/30/86/564083086.db2.gz YVNFIXZEARATTI-UHFFFAOYSA-N 0 0 338.716 4.412 50 30 EIEARN S=C1N=NC(c2ccccc2)N1N=Cc1cccc(Cl)c1Cl ZINC000239038376 564087994 /nfs/dbraw/zinc/08/79/94/564087994.db2.gz DASZTWDYUPRZPX-UHFFFAOYSA-N 0 0 349.246 4.423 50 30 EIEARN CCOc1ccc2ncc(C#N)c(Nc3ccc(OC)cc3OC)c2c1 ZINC000064438757 564091284 /nfs/dbraw/zinc/09/12/84/564091284.db2.gz OFWPCFUMHAYFLC-UHFFFAOYSA-N 0 0 349.390 4.266 50 30 EIEARN S=C(NN=C1CCCCC1)Nc1ccc(Br)cc1 ZINC000006633360 564094653 /nfs/dbraw/zinc/09/46/53/564094653.db2.gz XPTQKMMKUSYUJZ-UHFFFAOYSA-N 0 0 326.263 4.056 50 30 EIEARN Cn1c(SCc2ccccc2C#N)nnc1-c1ccc(Cl)cc1 ZINC000006790841 564097956 /nfs/dbraw/zinc/09/79/56/564097956.db2.gz IVRQVABGPXUNBJ-UHFFFAOYSA-N 0 0 340.839 4.299 50 30 EIEARN N#Cc1ccc(OC(C(F)(F)F)C(F)(F)F)cc1Br ZINC000169725798 564099197 /nfs/dbraw/zinc/09/91/97/564099197.db2.gz JJWLBOXINXRCBF-UHFFFAOYSA-N 0 0 348.040 4.193 50 30 EIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3C[C@H]3c3ccccc3)sc2C1 ZINC000239310431 564106545 /nfs/dbraw/zinc/10/65/45/564106545.db2.gz IKJPBFXZEUMVCN-KCXAZCMYSA-N 0 0 336.460 4.487 50 30 EIEARN Cc1ccc(C(C)(C)C)cc1SCC(=O)N[C@@](C)(C#N)C(C)C ZINC000007492506 564109144 /nfs/dbraw/zinc/10/91/44/564109144.db2.gz KNCZGFXUKPLFLN-IBGZPJMESA-N 0 0 332.513 4.439 50 30 EIEARN C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccc(O)cc1 ZINC000016711345 564112807 /nfs/dbraw/zinc/11/28/07/564112807.db2.gz NLYBCYUSGUJYKS-VXPUYCOJSA-N 0 0 338.432 4.349 50 30 EIEARN N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1N1CCCC1 ZINC000016779466 564113278 /nfs/dbraw/zinc/11/32/78/564113278.db2.gz DRACTNJSTNUBQN-UHFFFAOYSA-N 0 0 345.402 4.392 50 30 EIEARN C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)C2CC2)[C@@H]1c1ccccc1 ZINC000016839806 564113737 /nfs/dbraw/zinc/11/37/37/564113737.db2.gz VZEOFGFZBYMHKK-LIRRHRJNSA-N 0 0 347.414 4.122 50 30 EIEARN COc1cc(Nc2c(C#N)cnc3ccc(C)cc32)cc(OC)c1OC ZINC000017121969 564116479 /nfs/dbraw/zinc/11/64/79/564116479.db2.gz NJUFFHORHIHDNG-UHFFFAOYSA-N 0 0 349.390 4.184 50 30 EIEARN Oc1ccc(Br)cc1C=Nc1cccc2cccnc21 ZINC000254524816 564116700 /nfs/dbraw/zinc/11/67/00/564116700.db2.gz PRMRIQSTCMMWGE-UHFFFAOYSA-N 0 0 327.181 4.454 50 30 EIEARN Cc1cc([N+](=O)[O-])ccc1N=Cc1ccc(Br)s1 ZINC000252460881 564118691 /nfs/dbraw/zinc/11/86/91/564118691.db2.gz IVBVWVWNCCOLFD-UHFFFAOYSA-N 0 0 325.187 4.478 50 30 EIEARN CCc1nc(C(C#N)C(=O)[C@@H]2C[C@H]2c2cccc(F)c2)sc1C ZINC000252511393 564120107 /nfs/dbraw/zinc/12/01/07/564120107.db2.gz GHPXIFAEBKBZEL-RRFJBIMHSA-N 0 0 328.412 4.133 50 30 EIEARN CN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=Nc1ccccc1 ZINC000252617684 564122153 /nfs/dbraw/zinc/12/21/53/564122153.db2.gz KYIDOSWAMZZMBZ-RZZJTRJGSA-N 0 0 333.416 4.402 50 30 EIEARN C=CCSc1ccccc1NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000007709655 564122158 /nfs/dbraw/zinc/12/21/58/564122158.db2.gz JOOPUJYGLSJQFU-UHFFFAOYSA-N 0 0 333.478 4.382 50 30 EIEARN CCOc1ccc(/C=C2/SC(=Nc3ccccc3)N(C)C2=O)cc1 ZINC000252617576 564122165 /nfs/dbraw/zinc/12/21/65/564122165.db2.gz KWAZHKZKMKKBCG-WSRIWQLKSA-N 0 0 338.432 4.319 50 30 EIEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Nc1ccc(-c2ccccc2)cc1 ZINC000007778431 564123047 /nfs/dbraw/zinc/12/30/47/564123047.db2.gz XZJVJNVNJMYALZ-IIBYNOLFSA-N 0 0 335.451 4.208 50 30 EIEARN Cc1ccc(NC(=O)C=NOC(=O)Nc2cccc3ccccc32)cc1 ZINC000252624543 564123213 /nfs/dbraw/zinc/12/32/13/564123213.db2.gz PQEIDIDQGSCKPS-UHFFFAOYSA-N 0 0 347.374 4.321 50 30 EIEARN CCN1C(=O)/C(=C/c2ccccc2O)SC1=Nc1ccc(C)cc1 ZINC000252629663 564123525 /nfs/dbraw/zinc/12/35/25/564123525.db2.gz ULDYUPSFWIVPKL-HDTIWSQQSA-N 0 0 338.432 4.325 50 30 EIEARN CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000007856914 564124270 /nfs/dbraw/zinc/12/42/70/564124270.db2.gz RDJAKBNWFXOVJK-ZDUSSCGKSA-N 0 0 328.799 4.032 50 30 EIEARN CN(C(=O)c1cc(F)cc2cccnc21)c1cc(Cl)ccc1C#N ZINC000253416551 564130767 /nfs/dbraw/zinc/13/07/67/564130767.db2.gz RVNNFSYQRWWSJW-UHFFFAOYSA-N 0 0 339.757 4.176 50 30 EIEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccno3)sc2C1 ZINC000000153813 564132916 /nfs/dbraw/zinc/13/29/16/564132916.db2.gz PLRWCDARMWKVHU-LLVKDONJSA-N 0 0 343.452 4.401 50 30 EIEARN COc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000000450648 564133286 /nfs/dbraw/zinc/13/32/86/564133286.db2.gz GOIXXPASHYTQLV-UHFFFAOYSA-N 0 0 340.448 4.078 50 30 EIEARN Cc1nnc([C@H](C)Nc2ccc(Oc3ccccc3C#N)c(F)c2)o1 ZINC000076084485 564133891 /nfs/dbraw/zinc/13/38/91/564133891.db2.gz FYRSALJFXVGUGG-NSHDSACASA-N 0 0 338.342 4.354 50 30 EIEARN CCC[C@H]1CCc2c(C#N)c(NC(=O)c3ccncc3)sc2C1 ZINC000013327323 564136218 /nfs/dbraw/zinc/13/62/18/564136218.db2.gz UXXSKBUKNHQVEQ-LBPRGKRZSA-N 0 0 325.437 4.172 50 30 EIEARN C=CCn1c(SC2C[C@H](C)O[C@@H](C)C2)nnc1-c1cccc(C)c1 ZINC000095440606 564140505 /nfs/dbraw/zinc/14/05/05/564140505.db2.gz URLUJNCDQJSADB-GJZGRUSLSA-N 0 0 343.496 4.488 50 30 EIEARN N#CCCSc1ccccc1NC(=O)COc1cccc(Cl)c1 ZINC000095953486 564142431 /nfs/dbraw/zinc/14/24/31/564142431.db2.gz YKDGSBFHCACOAP-UHFFFAOYSA-N 0 0 346.839 4.363 50 30 EIEARN N#Cc1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N ZINC000002581606 564151059 /nfs/dbraw/zinc/15/10/59/564151059.db2.gz ONLPQGKULLXIRP-UHFFFAOYSA-N 0 0 328.400 4.479 50 30 EIEARN N#Cc1c(NC(=O)c2ccccc2OC(F)F)sc2c1CCCC2 ZINC000002792426 564152665 /nfs/dbraw/zinc/15/26/65/564152665.db2.gz PMNBUBPJEMDFKL-UHFFFAOYSA-N 0 0 348.374 4.352 50 30 EIEARN N#Cc1c(Cl)nc(-c2ccccn2)nc1-c1ccc(Cl)cc1 ZINC000003029435 564154512 /nfs/dbraw/zinc/15/45/12/564154512.db2.gz HBCWITFFAVAYSB-UHFFFAOYSA-N 0 0 327.174 4.384 50 30 EIEARN COc1ccccc1C[C@@H](C#N)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000057523286 564154710 /nfs/dbraw/zinc/15/47/10/564154710.db2.gz BXQIPNRHNFQLOW-ZDUSSCGKSA-N 0 0 348.324 4.035 50 30 EIEARN N#Cc1ccc(-c2ccc(F)cc2)nc1OC(=O)c1ccc(F)cc1 ZINC000003125648 564155330 /nfs/dbraw/zinc/15/53/30/564155330.db2.gz XMUSJCZEEGVGBQ-UHFFFAOYSA-N 0 0 336.297 4.118 50 30 EIEARN N#Cc1c(F)cccc1Sc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000057797167 564155893 /nfs/dbraw/zinc/15/58/93/564155893.db2.gz LKCOJSCSGGAUAL-UHFFFAOYSA-N 0 0 336.395 4.307 50 30 EIEARN N#Cc1ncn(Cc2nc3ccccc3c(-c3ccccc3)c2Cl)n1 ZINC000058158516 564157827 /nfs/dbraw/zinc/15/78/27/564157827.db2.gz YADJMVMTEWDNPA-UHFFFAOYSA-N 0 0 345.793 4.067 50 30 EIEARN CC(C)c1ccc(SCc2nc3ccccc3c(=O)n2CC#N)cc1 ZINC000031817759 564159950 /nfs/dbraw/zinc/15/99/50/564159950.db2.gz PKBNATGBVWKPGI-UHFFFAOYSA-N 0 0 349.459 4.336 50 30 EIEARN N#Cc1cccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000008115259 564162781 /nfs/dbraw/zinc/16/27/81/564162781.db2.gz KJBWGFSOYDTBRQ-FQEVSTJZSA-N 0 0 344.439 4.408 50 30 EIEARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000069528127 564170171 /nfs/dbraw/zinc/17/01/71/564170171.db2.gz IZMIGWRMFGHGNI-PMACEKPBSA-N 0 0 348.446 4.108 50 30 EIEARN C=CC[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccncc1 ZINC000069738782 564171823 /nfs/dbraw/zinc/17/18/23/564171823.db2.gz CXRTXYPPNQXZKQ-INIZCTEOSA-N 0 0 334.341 4.077 50 30 EIEARN C=C(C)CN(CC)C(=O)Nc1cccc(Br)c1COC ZINC000071857079 564176075 /nfs/dbraw/zinc/17/60/75/564176075.db2.gz XULMZDXMSVWRMH-UHFFFAOYSA-N 0 0 341.249 4.025 50 30 EIEARN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C1CC1 ZINC000077442950 564176717 /nfs/dbraw/zinc/17/67/17/564176717.db2.gz SINWDWLFZSVAMQ-UHFFFAOYSA-N 0 0 335.407 4.072 50 30 EIEARN CC(=O)C(=NNc1cccc(Cl)c1)N1CCCc2ccccc21 ZINC000103663661 564177287 /nfs/dbraw/zinc/17/72/87/564177287.db2.gz SAGCDFMQQSXWBB-UZYVYHOESA-N 0 0 327.815 4.107 50 30 EIEARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000006888917 1022770877 /nfs/dbraw/zinc/77/08/77/1022770877.db2.gz IRMAUOGYOQBWPS-FNORWQNLSA-N 0 0 332.699 4.053 50 30 EIEARN CO[C@@H]1CCC[C@H](CC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)C1 ZINC000331049017 1023642477 /nfs/dbraw/zinc/64/24/77/1023642477.db2.gz HEGVRGVUPVZFCT-IPELMVKDSA-N 0 0 342.483 4.260 50 30 EIEARN CCOC(=O)N=C(Nc1c(Cl)cc(Cl)cc1Cl)C(C)=O ZINC000004737544 1024554315 /nfs/dbraw/zinc/55/43/15/1024554315.db2.gz HQZYATRTFQCEFN-UHFFFAOYSA-N 0 0 337.590 4.203 50 30 EIEARN O=C(C[C@@H]1CCCC(=O)N1)N[C@@]1(C(F)(F)F)CCc2ccccc21 ZINC000329678197 1027970195 /nfs/dbraw/zinc/97/01/95/1027970195.db2.gz WWIZYNRVYLGFIR-LRDDRELGSA-N 0 0 340.345 4.246 50 30 EIEARN O=[N+]([O-])c1ccccc1CC=CN=Nc1ncc(Cl)cc1Cl ZINC000254347703 1031056578 /nfs/dbraw/zinc/05/65/78/1031056578.db2.gz GSGAEHQEJCDXGR-UMXYYGFDSA-N 0 0 337.166 4.408 50 30 EIEARN N#CC1(NC(=O)CSc2cccc3cccnc32)CCCCCC1 ZINC000042698058 1037480646 /nfs/dbraw/zinc/48/06/46/1037480646.db2.gz VXHLDCCAORDFNJ-UHFFFAOYSA-N 0 0 339.464 4.060 50 30 EIEARN COc1ccc2c(c1)CC/C(=C/c1c(Cl)nc3ccccn13)C2=O ZINC000096792359 1039370487 /nfs/dbraw/zinc/37/04/87/1039370487.db2.gz ZXYRHLWEHDBVHG-QBFSEMIESA-N 0 0 338.794 4.209 50 30 EIEARN CC(C=NN1C(=S)N=NC1c1ccc(Cl)cc1)=Cc1ccco1 ZINC000245266992 1040077633 /nfs/dbraw/zinc/07/76/33/1040077633.db2.gz KZFXDCIAPZVLPN-SALNACHASA-N 0 0 344.827 4.418 50 30 EIEARN COc1ccc(C(=O)/C=C\c2ccccc2OC(F)F)cc1OC ZINC000096766918 1041616996 /nfs/dbraw/zinc/61/69/96/1041616996.db2.gz KOLBDNXZOQBKRE-CLFYSBASSA-N 0 0 334.318 4.201 50 30 EIEARN COc1ccc(C(=O)/C=C\c2ccccc2Br)c(OC)c1 ZINC000033391482 1047095364 /nfs/dbraw/zinc/09/53/64/1047095364.db2.gz ULOVNABNBPINDW-YFHOEESVSA-N 0 0 347.208 4.362 50 30 EIEARN COc1ccccc1/C=C\C(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000033399182 1047136946 /nfs/dbraw/zinc/13/69/46/1047136946.db2.gz QOGZJDVAJDLGKQ-RAXLEYEMSA-N 0 0 347.370 4.437 50 30 EIEARN Cc1ccc(C(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000033676782 1047741881 /nfs/dbraw/zinc/74/18/81/1047741881.db2.gz PBLVUTDZTUHDPI-DAXSKMNVSA-N 0 0 346.726 4.361 50 30 EIEARN O=C(/C(=C\c1ccccn1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000033682617 1047745869 /nfs/dbraw/zinc/74/58/69/1047745869.db2.gz PRAPUFUODPCQEF-SAPNQHFASA-N 0 0 325.371 4.381 50 30 EIEARN C#CCCC1(CCC(=O)N2CC[C@H](c3cccc(Cl)c3)C2)N=N1 ZINC000952882136 1049680550 /nfs/dbraw/zinc/68/05/50/1049680550.db2.gz RQJVVTHKZHNJPE-HNNXBMFYSA-N 0 0 329.831 4.012 50 30 EIEARN C#CCCC1(CCC(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)N=N1 ZINC000952881714 1049682244 /nfs/dbraw/zinc/68/22/44/1049682244.db2.gz PODYYAHZXUWVTQ-LJQANCHMSA-N 0 0 335.451 4.486 50 30 EIEARN C(=CNNc1cccc2cccnc21)N=Nc1cccc2cccnc21 ZINC000252641368 1051194690 /nfs/dbraw/zinc/19/46/90/1051194690.db2.gz ZCXCUMOCPHMQDX-UHFFFAOYSA-N 0 0 340.390 4.279 50 30 EIEARN CN(/N=C/c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000004738012 210264653 /nfs/dbraw/zinc/26/46/53/210264653.db2.gz LFDUVRGSGYINMK-WOJGMQOQSA-N 0 0 338.392 4.189 50 30 EIEARN CN1c2cc3c(cc2S/C1=C\C(=O)c1ccc(Cl)cc1)OCO3 ZINC000004718943 210258530 /nfs/dbraw/zinc/25/85/30/210258530.db2.gz YSCYFLTZARESHP-IDUWFGFVSA-N 0 0 345.807 4.335 50 30 EIEARN COc1ccccc1CC=CN=Nc1ncnc2sc(C)c(C)c21 ZINC000004680236 210245987 /nfs/dbraw/zinc/24/59/87/210245987.db2.gz TVULHFKMAZQCBJ-BPZAUWNOSA-N 0 0 338.436 4.428 50 30 EIEARN C[C@H]1CCc2c(C#N)c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)sc2C1 ZINC000004611938 210231908 /nfs/dbraw/zinc/23/19/08/210231908.db2.gz IKJPBFXZEUMVCN-APHBMKBZSA-N 0 0 336.460 4.487 50 30 EIEARN CCn1c2ccccc2nc1/N=C/c1cc(Br)ccc1O ZINC000004599667 210230034 /nfs/dbraw/zinc/23/00/34/210230034.db2.gz KYDDWVBNORQETE-VCHYOVAHSA-N 0 0 344.212 4.275 50 30 EIEARN Cc1ccc(C[C@@H]2S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 ZINC000004595298 210229002 /nfs/dbraw/zinc/22/90/02/210229002.db2.gz LCBASURTTNEAPL-HNNXBMFYSA-N 0 0 330.840 4.110 50 30 EIEARN C[C@@H]1S/C(=N\N=C\c2cccs2)N(c2ccc(Cl)cc2)C1=O ZINC000004590320 210228531 /nfs/dbraw/zinc/22/85/31/210228531.db2.gz ZWIFCVNQEQTRPJ-SAVVODKTSA-N 0 0 349.868 4.260 50 30 EIEARN CC/N=C1/S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1CC ZINC000004580467 210226096 /nfs/dbraw/zinc/22/60/96/210226096.db2.gz HGKSQFRKJTUALD-YYUDZJCFSA-N 0 0 344.411 4.398 50 30 EIEARN C[C@@H](NC(=O)c1cc(C#N)c2c3ccccc3ccn12)c1ccccc1 ZINC000004542401 210218223 /nfs/dbraw/zinc/21/82/23/210218223.db2.gz OWSWQDITHMJVEV-OAHLLOKOSA-N 0 0 339.398 4.455 50 30 EIEARN COc1ccc(/C=C\C(=O)c2ccc(Br)cc2)cc1OC ZINC000004531876 210215211 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Nc1cccc(NC2=C(C(=O)c3ccccc3)C(=O)c3ccccc32)c1 ZINC000100937722 219111693 /nfs/dbraw/zinc/11/16/93/219111693.db2.gz FYVVHCXDSLNCGV-UHFFFAOYSA-N 0 0 340.382 4.171 50 30 EIEARN N#Cc1ccc(Oc2ccccc2N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000101028345 219114371 /nfs/dbraw/zinc/11/43/71/219114371.db2.gz UVBIZGSKIDMXEZ-IAGOWNOFSA-N 0 0 346.386 4.030 50 30 EIEARN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C)C2=O)cc1C ZINC000101506391 219128768 /nfs/dbraw/zinc/12/87/68/219128768.db2.gz BTMYJPGCYQWKEI-QHHAONBESA-N 0 0 338.432 4.237 50 30 EIEARN Cc1cc2c(cc1O)NC(=O)C[C@H]2c1ccc(-c2ccccc2C#N)o1 ZINC000065419056 214903586 /nfs/dbraw/zinc/90/35/86/214903586.db2.gz IQZHNRGMBSMZJW-MRXNPFEDSA-N 0 0 344.370 4.306 50 30 EIEARN Cc1cc(C)cc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)c1 ZINC000004173651 210138361 /nfs/dbraw/zinc/13/83/61/210138361.db2.gz HHVDBYLQPQXVIA-UHFFFAOYSA-N 0 0 346.430 4.102 50 30 EIEARN O=C1ON=C(c2ccccc2)C1=CNc1cc(Cl)ccc1Cl ZINC000101662220 219152993 /nfs/dbraw/zinc/15/29/93/219152993.db2.gz 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CCOC(=O)c1c(/N=C/c2ccc([N+](=O)[O-])o2)sc2c1CCCC2 ZINC000103765489 219324334 /nfs/dbraw/zinc/32/43/34/219324334.db2.gz WXGFLLJDVCHWOZ-RQZCQDPDSA-N 0 0 348.380 4.055 50 30 EIEARN CCCCCCCc1nnc(NC(=O)COc2ccccc2)s1 ZINC000002070241 209817323 /nfs/dbraw/zinc/81/73/23/209817323.db2.gz MVPOKHOIYCKZGI-UHFFFAOYSA-N 0 0 333.457 4.069 50 30 EIEARN CCc1ccc(/N=C2/c3ccccc3N(CN3CCCCC3)C2=O)cc1 ZINC000104522632 219393707 /nfs/dbraw/zinc/39/37/07/219393707.db2.gz SVIDJXRARYGZLK-LNVKXUELSA-N 0 0 347.462 4.160 50 30 EIEARN N#Cc1ccc(OCc2csc(-c3ccccn3)n2)c(Cl)c1 ZINC000040030874 213252839 /nfs/dbraw/zinc/25/28/39/213252839.db2.gz AHBYALCOCOMJEZ-UHFFFAOYSA-N 0 0 327.796 4.309 50 30 EIEARN COc1c(C)cccc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000000559979 209664766 /nfs/dbraw/zinc/66/47/66/209664766.db2.gz AUYVPMHIOWGUSF-LLVKDONJSA-N 0 0 340.448 4.314 50 30 EIEARN C=CC[C@@H](NC(=O)c1oc2ccccc2c1COC)c1ccncc1 ZINC000069845328 215603283 /nfs/dbraw/zinc/60/32/83/215603283.db2.gz DKACNEIJMYIWTI-QGZVFWFLSA-N 0 0 336.391 4.021 50 30 EIEARN C=CCNC(=O)c1cc2sc(C)cc2n1Cc1ccc(F)cc1F ZINC000037527009 213154713 /nfs/dbraw/zinc/15/47/13/213154713.db2.gz PNPWYDONGDQNSP-UHFFFAOYSA-N 0 0 346.402 4.254 50 30 EIEARN COc1ccc(/C=C\C(=O)c2ccc(Br)cc2)cc1O ZINC000033654397 212958494 /nfs/dbraw/zinc/95/84/94/212958494.db2.gz RXIXJCBPXUTYCZ-WAPJZHGLSA-N 0 0 333.181 4.059 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1cccs1 ZINC000000428057 209592105 /nfs/dbraw/zinc/59/21/05/209592105.db2.gz FJLFUGNWORCSRE-CRAIPNDOSA-N 0 0 344.407 4.207 50 30 EIEARN COc1ccc2cc([C@@H](C)C(=O)Nc3cccc(C#N)c3)ccc2c1 ZINC000032716590 212828016 /nfs/dbraw/zinc/82/80/16/212828016.db2.gz ZOMQNXGBDSQEBB-CQSZACIVSA-N 0 0 330.387 4.462 50 30 EIEARN COc1ccc(NC2=CC(=O)C[C@@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000000305481 209527470 /nfs/dbraw/zinc/52/74/70/209527470.db2.gz ZDFRCSXAABMXQQ-INIZCTEOSA-N 0 0 337.419 4.455 50 30 EIEARN COc1ccc([C@H]2CC(=O)C=C(Nc3ccc(F)cc3F)C2)cc1 ZINC000000117805 209433209 /nfs/dbraw/zinc/43/32/09/209433209.db2.gz MMGDUWCNRAKHFQ-CYBMUJFWSA-N 0 0 329.346 4.416 50 30 EIEARN COc1ccc(OCc2nc(C#N)c(N[C@@H](C)c3ccccc3)o2)cc1 ZINC000000108176 209425074 /nfs/dbraw/zinc/42/50/74/209425074.db2.gz BFIWLTQVBXPJLZ-AWEZNQCLSA-N 0 0 349.390 4.307 50 30 EIEARN C=C(C)CNC(=O)c1cncn1-c1ccc(-c2cc(C)cc(C)c2)cc1 ZINC000022662044 212314922 /nfs/dbraw/zinc/31/49/22/212314922.db2.gz UJQFEXAVAWSENK-UHFFFAOYSA-N 0 0 345.446 4.462 50 30 EIEARN Cc1cc(OS(=O)(=O)c2cccc(C#N)c2)c(C(C)C)cc1Cl ZINC000022455528 212297908 /nfs/dbraw/zinc/29/79/08/212297908.db2.gz YJVAGUSPSUHLET-UHFFFAOYSA-N 0 0 349.839 4.411 50 30 EIEARN CC(C)N(C(=O)c1ccnc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000193689206 240264710 /nfs/dbraw/zinc/26/47/10/240264710.db2.gz CNQGFSATSQRQMY-UHFFFAOYSA-N 0 0 333.313 4.027 50 30 EIEARN Cc1noc([C@@H]2CCCCN2Cc2ccc(-c3ccccc3C#N)o2)n1 ZINC000216418994 241192180 /nfs/dbraw/zinc/19/21/80/241192180.db2.gz WKNUKMHZBCUGKU-SFHVURJKSA-N 0 0 348.406 4.237 50 30 EIEARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000253499627 244007845 /nfs/dbraw/zinc/00/78/45/244007845.db2.gz LMVLICSGVDWDSM-FRZKMOAQSA-N 0 0 344.495 4.037 50 30 EIEARN Cc1ccsc1/C=C1\CN(C)C/C(=C\c2sccc2C)C1=O ZINC000020115359 212103545 /nfs/dbraw/zinc/10/35/45/212103545.db2.gz XTFAJILJSGRYQF-VOMDNODZSA-N 0 0 329.490 4.408 50 30 EIEARN COc1ccc(-c2cc(-c3cccc(C)c3)c(C#N)c(N)n2)cc1OC ZINC000019879661 212078764 /nfs/dbraw/zinc/07/87/64/212078764.db2.gz UOHYHDPJZKEPMZ-UHFFFAOYSA-N 0 0 345.402 4.195 50 30 EIEARN O=C1CCCC2=C1[C@@H](c1cccs1)c1cc3c(cc1N2)OCO3 ZINC000018196688 211988486 /nfs/dbraw/zinc/98/84/86/211988486.db2.gz YRPXWCSLSQOXRR-QGZVFWFLSA-N 0 0 325.389 4.041 50 30 EIEARN O=C(Nc1cccnc1)/C(=C/c1cccs1)C(=O)c1ccccc1 ZINC000018064576 211979458 /nfs/dbraw/zinc/97/94/58/211979458.db2.gz HSCGOWOTUICESW-SFQUDFHCSA-N 0 0 334.400 4.048 50 30 EIEARN N#Cc1ccccc1CN(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000078583671 217080473 /nfs/dbraw/zinc/08/04/73/217080473.db2.gz FGMPCWHJHJJOPY-UHFFFAOYSA-N 0 0 349.261 4.250 50 30 EIEARN C[C@@H]1CCC[C@H](C)N1NC(=S)Nc1ccc(OC(F)F)cc1 ZINC000013865400 211653867 /nfs/dbraw/zinc/65/38/67/211653867.db2.gz MZONKCXQSXGSCC-PHIMTYICSA-N 0 0 329.416 4.164 50 30 EIEARN CCCCNC(=S)N1CCn2cccc2[C@H]1c1ccc(F)cc1 ZINC000013543270 211574327 /nfs/dbraw/zinc/57/43/27/211574327.db2.gz LCPLYSKJFSJOKV-QGZVFWFLSA-N 0 0 331.460 4.118 50 30 EIEARN Cc1sc(NC(=O)[C@H]2CCCO2)c(C#N)c1-c1ccc(C)c(C)c1 ZINC000013328531 211547015 /nfs/dbraw/zinc/54/70/15/211547015.db2.gz JZNPTFYIZGKUGA-MRXNPFEDSA-N 0 0 340.448 4.330 50 30 EIEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)SC1=Nc2ccccc2CS1 ZINC000012781028 211453738 /nfs/dbraw/zinc/45/37/38/211453738.db2.gz PPAFTIFTZXTVKH-SJKOYZFVSA-N 0 0 347.509 4.097 50 30 EIEARN N#Cc1ccc(COc2ccc3[nH]c4ccccc4c(=O)c3c2)c(F)c1 ZINC000012522161 211397376 /nfs/dbraw/zinc/39/73/76/211397376.db2.gz PGNPVQSXYHKLMH-UHFFFAOYSA-N 0 0 344.345 4.271 50 30 EIEARN C=CCCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1C ZINC000012454491 211386699 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211000105 /nfs/dbraw/zinc/00/01/05/211000105.db2.gz ZCRKBJJFZQCNAQ-UHFFFAOYSA-N 0 0 346.415 4.072 50 30 EIEARN C=CCN(C(=O)c1cn2ccc(C)cc2n1)c1nc2ccccc2s1 ZINC000008709989 210985254 /nfs/dbraw/zinc/98/52/54/210985254.db2.gz IDPNVSOZAKSXGV-UHFFFAOYSA-N 0 0 348.431 4.085 50 30 EIEARN CCOc1ccc(/C=C/c2nc(C#N)c(N3CCCCCC3)o2)cc1 ZINC000008323868 210934739 /nfs/dbraw/zinc/93/47/39/210934739.db2.gz IKXZYLWIHJKPID-FMIVXFBMSA-N 0 0 337.423 4.496 50 30 EIEARN CC(C)(C)c1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000007333673 210784798 /nfs/dbraw/zinc/78/47/98/210784798.db2.gz HUJJEYZQQNEAPW-UXBLZVDNSA-N 0 0 335.403 4.211 50 30 EIEARN Cc1nc(S[C@@H](C)C(=O)NC2CCCCCC2)c(C#N)c(C)c1C ZINC000007188798 210766500 /nfs/dbraw/zinc/76/65/00/210766500.db2.gz OMFQIHXQQQEEPL-HNNXBMFYSA-N 0 0 345.512 4.198 50 30 EIEARN C=C(C)CSc1nnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000006740495 210695664 /nfs/dbraw/zinc/69/56/64/210695664.db2.gz UAZPZEWEEHOONH-UHFFFAOYSA-N 0 0 325.846 4.112 50 30 EIEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 ZINC000006052741 210583335 /nfs/dbraw/zinc/58/33/35/210583335.db2.gz BFPHFLRCQDCURQ-LJQANCHMSA-N 0 0 348.446 4.495 50 30 EIEARN N#CCOC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccccc1)CC2 ZINC000096482219 218857474 /nfs/dbraw/zinc/85/74/74/218857474.db2.gz YWFGCTKYPYLOQW-PEZBUJJGSA-N 0 0 340.382 4.402 50 30 EIEARN O/N=C(Nc1ccccc1Cl)\C(=N/O)Nc1ccccc1Cl ZINC000005344664 210444499 /nfs/dbraw/zinc/44/44/99/210444499.db2.gz PABLIIZYRHGLJB-UHFFFAOYSA-N 0 0 339.182 4.093 50 30 EIEARN N#Cc1cccc(Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1 ZINC000005320101 210437840 /nfs/dbraw/zinc/43/78/40/210437840.db2.gz LEFPYPHMJYHYJL-UHFFFAOYSA-N 0 0 343.411 4.045 50 30 EIEARN COc1ccccc1C(=O)/C=C\c1ccc(OC(F)F)c(OC)c1 ZINC000096766287 218889621 /nfs/dbraw/zinc/88/96/21/218889621.db2.gz NEBSICOAMJEVDS-CLFYSBASSA-N 0 0 334.318 4.201 50 30 EIEARN CC(=O)Nc1cccc(C(=O)/C=C\c2cccc(Br)c2)c1 ZINC000096766876 218889738 /nfs/dbraw/zinc/88/97/38/218889738.db2.gz GVDXYMLLTJZZNB-HJWRWDBZSA-N 0 0 344.208 4.304 50 30 EIEARN O=C(/C=C\c1ccc(F)c(Br)c1)c1ccc2c(c1)OCO2 ZINC000096766833 218889953 /nfs/dbraw/zinc/88/99/53/218889953.db2.gz KBIUZHJGLPLTFV-DJWKRKHSSA-N 0 0 349.155 4.213 50 30 EIEARN Cc1ccc(C)c(NC(=N/O)/C(=N\O)Nc2cc(C)ccc2C)c1 ZINC000005074094 210384648 /nfs/dbraw/zinc/38/46/48/210384648.db2.gz DIXQOAULFRIGTH-UHFFFAOYSA-N 0 0 326.400 4.020 50 30 EIEARN O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(O)cc1 ZINC000005128129 210396031 /nfs/dbraw/zinc/39/60/31/210396031.db2.gz XFTXBHHMMXTQIV-PKNBQFBNSA-N 0 0 335.315 4.457 50 30 EIEARN CCOc1cc(C=C2CCCC(C(=O)C(F)(F)F)=C2O)ccc1O ZINC000005026828 210366285 /nfs/dbraw/zinc/36/62/85/210366285.db2.gz ADVUXHUTICCYDS-MZFDCTSESA-N 0 0 342.313 4.302 50 30 EIEARN CC(C)c1ccccc1-n1c(SCC#N)nc2ccccc2c1=O ZINC000004979699 210346512 /nfs/dbraw/zinc/34/65/12/210346512.db2.gz ZCIJTTBQHIHDPZ-UHFFFAOYSA-N 0 0 335.432 4.125 50 30 EIEARN CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 ZINC000000035690 208554031 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COc1cc(C#N)cc(Br)c1OCc1cccc(C)c1 ZINC000004828560 210291306 /nfs/dbraw/zinc/29/13/06/210291306.db2.gz SCXNLRSJTKOPOE-UHFFFAOYSA-N 0 0 332.197 4.217 50 30 EIEARN O=C(/C=C/c1cccnc1)c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000004797671 210280080 /nfs/dbraw/zinc/28/00/80/210280080.db2.gz VULWOBPCIUIGIB-KPKJPENVSA-N 0 0 346.361 4.369 50 30 EIEARN N#Cc1ccnc(/C=C/c2cn(-c3cccc(Cl)c3Cl)nn2)c1 ZINC000328593154 258043575 /nfs/dbraw/zinc/04/35/75/258043575.db2.gz JXGDIWFQQQKNKS-SNAWJCMRSA-N 0 0 342.189 4.011 50 30 EIEARN C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000253499494 257999043 /nfs/dbraw/zinc/99/90/43/257999043.db2.gz IMONTRJLAWHYGT-JVTHYKSUSA-N 0 0 340.463 4.063 50 30 in-man EIEARN Cn1cc2c(n1)CCC[C@@H]2C(=O)NC(C)(C)c1ccc(Cl)cc1 ZINC000330033057 258001936 /nfs/dbraw/zinc/00/19/36/258001936.db2.gz WDERHQIGKUBYSY-AWEZNQCLSA-N 0 0 331.847 4.385 50 30 EIEARN C[C@@H](CNc1ccccc1)NC(=O)c1cc(O)ccc1C(F)(F)F ZINC000330032299 258002470 /nfs/dbraw/zinc/00/24/70/258002470.db2.gz 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258051991 /nfs/dbraw/zinc/05/19/91/258051991.db2.gz CPXOHXDEFRZLFE-BQYQJAHWSA-N 0 0 339.620 4.215 50 30 EIEARN N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccccc1F ZINC000007279354 258052710 /nfs/dbraw/zinc/05/27/10/258052710.db2.gz YDRYJQNHWXCVGJ-UHFFFAOYSA-N 0 0 330.362 4.294 50 30 EIEARN N#Cc1ccccc1COc1cccc(C(=O)NCc2ccccc2)c1 ZINC000012908373 258055861 /nfs/dbraw/zinc/05/58/61/258055861.db2.gz IZRIABILGSAIMI-UHFFFAOYSA-N 0 0 342.398 4.067 50 30 EIEARN C/C(=N/N)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000261493262 258073896 /nfs/dbraw/zinc/07/38/96/258073896.db2.gz LQOFLKGYBOYGQI-CPBAMENZSA-N 0 0 330.516 4.261 50 30 EIEARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)Cn1cc(C#N)c2ccccc21 ZINC000000555698 135652520 /nfs/dbraw/zinc/65/25/20/135652520.db2.gz WSTLWJLMLQFMFN-CQSZACIVSA-N 0 0 347.393 4.020 50 30 EIEARN CC(=O)Nc1ccc(/C=C2/COc3ccc(C(C)C)cc3C2=O)cc1 ZINC000063412877 262530276 /nfs/dbraw/zinc/53/02/76/262530276.db2.gz XXPNIUJGRQZKTN-YVLHZVERSA-N 0 0 335.403 4.427 50 30 EIEARN C=CCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)C(C)C ZINC000036106608 518796359 /nfs/dbraw/zinc/79/63/59/518796359.db2.gz BLTUOBMLEHIXPS-UHFFFAOYSA-N 0 0 344.480 4.201 50 30 EIEARN C=CCOc1ccc(C(=O)NCCSc2ccc(C)cc2)cc1 ZINC000013847304 519025809 /nfs/dbraw/zinc/02/58/09/519025809.db2.gz VLADRXMGLBKCJR-UHFFFAOYSA-N 0 0 327.449 4.082 50 30 EIEARN C=CCOc1ccccc1-c1nc2c[nH]n(Cc3cccs3)c-2n1 ZINC000048115625 519064448 /nfs/dbraw/zinc/06/44/48/519064448.db2.gz QWNUOXYLOWFYBB-UHFFFAOYSA-N 0 0 336.420 4.101 50 30 EIEARN C=CCc1ccc(OCCCOc2cccc(C=O)c2)c(OC)c1 ZINC000002985833 519138014 /nfs/dbraw/zinc/13/80/14/519138014.db2.gz MFODVEQXUPNKPW-UHFFFAOYSA-N 0 0 326.392 4.084 50 30 EIEARN C=CCn1c2ccccc2nc1SCC(=O)c1cc(C)n(C)c1C ZINC000004492795 519269635 /nfs/dbraw/zinc/26/96/35/519269635.db2.gz OGRHAOVNMYMORK-UHFFFAOYSA-N 0 0 339.464 4.153 50 30 EIEARN C=CCn1cc(CNCc2nc3cc(C(C)(C)C)ccc3o2)c(C)n1 ZINC000055245500 519281377 /nfs/dbraw/zinc/28/13/77/519281377.db2.gz CUOGAQWDQPFSKH-UHFFFAOYSA-N 0 0 338.455 4.106 50 30 EIEARN CC(C)CC1(CNC(=O)c2ccoc2C2(O)CCOCC2)CCCC1 ZINC000328587008 519624113 /nfs/dbraw/zinc/62/41/13/519624113.db2.gz UALLACDCXHXKTG-UHFFFAOYSA-N 0 0 349.471 4.189 50 30 EIEARN CCOc1cc(/C=C\C(=O)c2ccc(OC)cc2F)ccc1OC ZINC000033677135 520637374 /nfs/dbraw/zinc/63/73/74/520637374.db2.gz SOMBEVAVXYTYOP-UITAMQMPSA-N 0 0 330.355 4.138 50 30 EIEARN CCCC[C@@H](CC)CN1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000005010620 521027240 /nfs/dbraw/zinc/02/72/40/521027240.db2.gz JPUSZXSGUYPIEV-CYBMUJFWSA-N 0 0 343.496 4.025 50 30 EIEARN COc1ccc(/C=C/C(=O)c2cc(C)sc2C)c(OC)c1OC ZINC000008322637 523400188 /nfs/dbraw/zinc/40/01/88/523400188.db2.gz UAMXRCNDEIHLPN-SOFGYWHQSA-N 0 0 332.421 4.287 50 30 EIEARN COc1ccc(C(=O)C=CNc2cccc(Cl)c2C)cc1OC ZINC000000304856 523538519 /nfs/dbraw/zinc/53/85/19/523538519.db2.gz WZVDJEHOMVMEPC-MDZDMXLPSA-N 0 0 331.799 4.474 50 30 EIEARN Cc1ccc(CN2CCN(/N=C\c3ccc(C(C)C)cc3)CC2)cc1 ZINC000022107645 524454500 /nfs/dbraw/zinc/45/45/00/524454500.db2.gz JKZXKMLIFLCOIJ-KQWNVCNZSA-N 0 0 335.495 4.270 50 30 EIEARN C[C@@H](NC(=O)CSCC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000055736154 525122724 /nfs/dbraw/zinc/12/27/24/525122724.db2.gz LYLWNJHQLVJVLA-CYBMUJFWSA-N 0 0 344.411 4.052 50 30 EIEARN COc1ccc2cc([C@@H](C)C(=O)[C@@H](C#N)c3ccccn3)ccc2c1 ZINC000041493397 525635777 /nfs/dbraw/zinc/63/57/77/525635777.db2.gz BQXZDWWLNYWOAJ-KUHUBIRLSA-N 0 0 330.387 4.223 50 30 EIEARN COc1cccc(NC=CC(=O)c2ccc(OCCCF)cc2)c1 ZINC000100373615 526138472 /nfs/dbraw/zinc/13/84/72/526138472.db2.gz GWVRSJMRXZOQOC-ZRDIBKRKSA-N 0 0 329.371 4.242 50 30 EIEARN Cc1ccc(C(=O)ONC(=N)C(c2ccccc2)c2ccccc2)cc1 ZINC000014074967 526236474 /nfs/dbraw/zinc/23/64/74/526236474.db2.gz DUHDIVYUNPEYTJ-UHFFFAOYSA-N 0 0 344.414 4.256 50 30 EIEARN N#CCCCSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000005627153 526448227 /nfs/dbraw/zinc/44/82/27/526448227.db2.gz WGKJESJQNUSCDM-UHFFFAOYSA-N 0 0 348.859 4.241 50 30 EIEARN O=C(CN1CCCCC1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000049635820 527586857 /nfs/dbraw/zinc/58/68/57/527586857.db2.gz VNBSASHCSFMDJQ-UHFFFAOYSA-N 0 0 349.887 4.461 50 30 EIEARN CC1(C)CC(=O)C(=NNc2cc(C(F)(F)F)ccc2Cl)C(=O)C1 ZINC000000041837 563212703 /nfs/dbraw/zinc/21/27/03/563212703.db2.gz UGVSYFVMTYXUNG-UHFFFAOYSA-N 0 0 346.736 4.085 50 30 EIEARN COc1cc(/C=N/c2ccc(Br)cc2)ccc1OC(C)=O ZINC000000288247 563272986 /nfs/dbraw/zinc/27/29/86/563272986.db2.gz BTVIBXZAVMGJSU-VCHYOVAHSA-N 0 0 348.196 4.134 50 30 EIEARN COc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)c(OC)c1 ZINC000000296252 563274654 /nfs/dbraw/zinc/27/46/54/563274654.db2.gz LMJRNPHIWOJZGV-RGVLZGJSSA-N 0 0 326.421 4.266 50 30 EIEARN Cc1cs/c(=N/N=C/c2ccccc2Cl)n1-c1ccccc1 ZINC000000352508 563290149 /nfs/dbraw/zinc/29/01/49/563290149.db2.gz KRFZAGJOWNNLTH-HPCQEULDSA-N 0 0 327.840 4.435 50 30 EIEARN N#CCCN(CCC#N)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002858241 563456757 /nfs/dbraw/zinc/45/67/57/563456757.db2.gz WPQNJFDGIPCTGD-IBGZPJMESA-N 0 0 349.459 4.176 50 30 EIEARN CCc1nnc([C@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)o1 ZINC000071893927 563487867 /nfs/dbraw/zinc/48/78/67/563487867.db2.gz LHIKPJVDVPUKST-QMMMGPOBSA-N 0 0 342.346 4.079 50 30 EIEARN COc1ccccc1N1CCN(/N=C\c2cccc3ccccc23)CC1 ZINC000005052297 563520147 /nfs/dbraw/zinc/52/01/47/563520147.db2.gz ADDPDDKPIKEOSO-QJOMJCCJSA-N 0 0 345.446 4.005 50 30 EIEARN COc1ccc2cc(C(=O)/C(C)=C/N(C)C)ccc2c1Br ZINC000005183677 563522152 /nfs/dbraw/zinc/52/21/52/563522152.db2.gz HVQLEOHBBKBVLJ-ZHACJKMWSA-N 0 0 348.240 4.259 50 30 EIEARN O=C(C1=C(O)C(=O)O[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005819010 563551469 /nfs/dbraw/zinc/55/14/69/563551469.db2.gz CFVXCFJFUSSHSC-INIZCTEOSA-N 0 0 349.169 4.286 50 30 EIEARN Cc1ccccc1C(=O)O/N=C1/c2ccccc2-c2ccccc2C1=O ZINC000002907376 563619974 /nfs/dbraw/zinc/61/99/74/563619974.db2.gz CEUKJPATMFFXDP-ATJXCDBQSA-N 0 0 341.366 4.419 50 30 EIEARN Cc1[nH]nc2c1[C@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000013123455 563689166 /nfs/dbraw/zinc/68/91/66/563689166.db2.gz BNEROYONXLJEDW-INIZCTEOSA-N 0 0 325.387 4.058 50 30 EIEARN S=C1N=NC(c2ccc(Cl)cc2)N1N=CC=Cc1ccccc1 ZINC000013595581 563703292 /nfs/dbraw/zinc/70/32/92/563703292.db2.gz SNYLSSXZGDASSB-MZBBQUMVSA-N 0 0 340.839 4.435 50 30 EIEARN CC(C)c1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1 ZINC000013684448 563710786 /nfs/dbraw/zinc/71/07/86/563710786.db2.gz DIHAIQMNURSQGG-UHFFFAOYSA-N 0 0 328.437 4.437 50 30 EIEARN N#Cc1cc([N+](=O)[O-])cnc1N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000032806365 563740919 /nfs/dbraw/zinc/74/09/19/563740919.db2.gz NHPYWBLMQJCZNP-IBGZPJMESA-N 0 0 344.374 4.257 50 30 EIEARN CCC(=[NH+][N-]c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000004543900 563763334 /nfs/dbraw/zinc/76/33/34/563763334.db2.gz NDHPXXUXECWCRA-PTGBLXJZSA-N 0 0 345.393 4.028 50 30 EIEARN COc1ccc([C@H]2CCCN2Cc2cn3ccccc3c2C#N)cc1 ZINC000032871596 563769088 /nfs/dbraw/zinc/76/90/88/563769088.db2.gz WGBVMFAPNKTLRJ-HXUWFJFHSA-N 0 0 331.419 4.157 50 30 EIEARN COc1ccc(NC=C2C(=O)N(c3ccccc3)N=C2C)cc1Cl ZINC000016607386 563817275 /nfs/dbraw/zinc/81/72/75/563817275.db2.gz DSUCROFAMSDIQZ-PZUDMAOCSA-N 0 0 341.798 4.090 50 30 EIEARN COc1ccccc1/C=C1\S/C(=N\c2cccc(C)c2C)NC1=O ZINC000016666295 563819802 /nfs/dbraw/zinc/81/98/02/563819802.db2.gz PRYPLEXRSMYMIX-BOPFTXTBSA-N 0 0 338.432 4.204 50 30 EIEARN CC(=O)NC(=Nc1nc(C)cc(C)n1)Nc1ccc(C)c(Cl)c1 ZINC000018086844 563848271 /nfs/dbraw/zinc/84/82/71/563848271.db2.gz WBVVVHLZHWDBMI-UHFFFAOYSA-N 0 0 331.807 4.131 50 30 EIEARN CCOC(=O)c1ccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)o1 ZINC000072312338 563929263 /nfs/dbraw/zinc/92/92/63/563929263.db2.gz RPGQZZLBGPDSHN-SOFGYWHQSA-N 0 0 338.281 4.371 50 30 EIEARN N#CCc1ccc(OCC(=O)Nc2ccccc2-c2cccs2)cc1 ZINC000058163043 563938609 /nfs/dbraw/zinc/93/86/09/563938609.db2.gz VYOICAAIWGWODT-UHFFFAOYSA-N 0 0 348.427 4.499 50 30 EIEARN N#CC1(C(=O)NCc2cccc(COCc3ccccc3)c2)CCCC1 ZINC000058380820 563944336 /nfs/dbraw/zinc/94/43/36/563944336.db2.gz WQUFVCFKJUYFAF-UHFFFAOYSA-N 0 0 348.446 4.104 50 30 EIEARN CC(C)(C#N)c1ccccc1CSc1ccc(S(C)(=O)=O)cc1 ZINC000096480743 563955281 /nfs/dbraw/zinc/95/52/81/563955281.db2.gz BKXKUSBRZGQKJR-UHFFFAOYSA-N 0 0 345.489 4.184 50 30 EIEARN COc1ccc(-c2nc(CN3CCC[C@@H](C#N)C3)c(C)o2)c(C)c1C ZINC000071730456 563964882 /nfs/dbraw/zinc/96/48/82/563964882.db2.gz IXCQHBNLBGNNRU-INIZCTEOSA-N 0 0 339.439 4.011 50 30 EIEARN O=C1c2cc(Br)ccc2OC/C1=C/c1ccc(F)cc1 ZINC000096812549 563966560 /nfs/dbraw/zinc/96/65/60/563966560.db2.gz XQRDUZUXFVBFDB-XFFZJAGNSA-N 0 0 333.156 4.247 50 30 EIEARN Cc1c(Cl)cc(NC(=O)Nc2ccn(CCC#N)n2)cc1Cl ZINC000097164679 563968493 /nfs/dbraw/zinc/96/84/93/563968493.db2.gz YJNFGRMJGNSBLO-UHFFFAOYSA-N 0 0 338.198 4.056 50 30 EIEARN C=C(C)C[C@@H](C)C(=O)N1CCC(Cc2nc(C(C)(C)C)co2)CC1 ZINC000585139452 563972664 /nfs/dbraw/zinc/97/26/64/563972664.db2.gz BVGJFQWXGYDECF-OAHLLOKOSA-N 0 0 332.488 4.356 50 30 EIEARN N#Cc1c2c(sc1NC(=O)c1cnc3ccccc3n1)CCCCC2 ZINC000060666776 563973067 /nfs/dbraw/zinc/97/30/67/563973067.db2.gz WXJRYBBDDTXWSZ-UHFFFAOYSA-N 0 0 348.431 4.084 50 30 EIEARN COc1cccc(-c2cccc(NC(=O)N3CCC(C#N)CC3)c2)c1 ZINC000096133840 563979405 /nfs/dbraw/zinc/97/94/05/563979405.db2.gz VEGHOEKXDMLDKR-UHFFFAOYSA-N 0 0 335.407 4.130 50 30 EIEARN CCCCCCCCNC(=O)CC(=O)NCCCCCCCC ZINC000100721324 563982727 /nfs/dbraw/zinc/98/27/27/563982727.db2.gz DAAYZRPEBHSDBU-UHFFFAOYSA-N 0 0 326.525 4.330 50 30 EIEARN CCCCCCCCCCCCNS(=O)(=O)c1ccc(N)cc1 ZINC000100722252 563982728 /nfs/dbraw/zinc/98/27/28/563982728.db2.gz RXKQPEQSORUFDN-UHFFFAOYSA-N 0 0 340.533 4.468 50 30 EIEARN CC/N=C1/S/C(=C/c2ccc(-c3ccccc3F)o2)C(=O)N1CC ZINC000100203496 563987524 /nfs/dbraw/zinc/98/75/24/563987524.db2.gz SRBIKHJYVCOCMH-YYUDZJCFSA-N 0 0 344.411 4.398 50 30 EIEARN CCc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1 ZINC000000191255 563988135 /nfs/dbraw/zinc/98/81/35/563988135.db2.gz JKPGFZRJLZUAPW-UHFFFAOYSA-N 0 0 333.416 4.496 50 30 EIEARN N#Cc1cccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)c1C#N ZINC000000233168 563989042 /nfs/dbraw/zinc/98/90/42/563989042.db2.gz XIEXOVMMMHTYGM-UHFFFAOYSA-N 0 0 347.381 4.345 50 30 aggregator EIEARN Nc1nc(-c2ccc(Cl)cc2Cl)cn1/N=C/c1ccccc1 ZINC000000255067 563989532 /nfs/dbraw/zinc/98/95/32/563989532.db2.gz IFMFUKXUDAVRNI-AWQFTUOYSA-N 0 0 331.206 4.321 50 30 EIEARN N#CC1(CCCSc2nc3cc(F)c(F)cc3[nH]2)CCOCC1 ZINC000225571021 563991317 /nfs/dbraw/zinc/99/13/17/563991317.db2.gz HAIXNNFKPMVGTA-UHFFFAOYSA-N 0 0 337.395 4.034 50 30 EIEARN Cn1c(CC(=O)Nc2ccccc2SCCC#N)cc2ccccc21 ZINC000408514428 563992720 /nfs/dbraw/zinc/99/27/20/563992720.db2.gz RTYKOHINNWDRDG-UHFFFAOYSA-N 0 0 349.459 4.365 50 30 EIEARN Cc1cccc(/N=C2/c3ccccc3N(CN3CCCCC3)C2=O)c1C ZINC000033600801 563993465 /nfs/dbraw/zinc/99/34/65/563993465.db2.gz JXDGUWDQEAWGRS-LNVKXUELSA-N 0 0 347.462 4.214 50 30 EIEARN C=C(C)[C@@H]1CC(=O)[C@H](C)[C@H]([C@H]2CCc3cc(OC)ccc3C2=O)C1 ZINC000248149553 563996445 /nfs/dbraw/zinc/99/64/45/563996445.db2.gz AWFFMSDYWLBCOX-ALQDCCJHSA-N 0 0 326.436 4.248 50 30 EIEARN CCN1C(=O)/C(=C\c2cccc(O)c2)SC1=Nc1ccc(C)cc1 ZINC000252602446 563997942 /nfs/dbraw/zinc/99/79/42/563997942.db2.gz FIJHOHAKLJKISL-NETLLJLASA-N 0 0 338.432 4.325 50 30 EIEARN COc1ccc(C(C)N=Nc2nc(C)cc(-c3ccccc3)n2)cc1 ZINC000252624598 563998011 /nfs/dbraw/zinc/99/80/11/563998011.db2.gz PRLFTRPRRKDIAZ-UHFFFAOYSA-N 0 0 332.407 4.297 50 30 EIEARN C[C@@H](C#N)Oc1ccc([C@H]2Nc3c4ccccc4sc3C(=O)N2)cc1 ZINC000078765270 564000948 /nfs/dbraw/zinc/00/09/48/564000948.db2.gz YMLLMWITBUCZIJ-VOJFVSQTSA-N 0 0 349.415 4.046 50 30 EIEARN CCNC(=S)N=NCc1ccccc1OCc1ccc(Cl)cc1 ZINC000005236415 564001401 /nfs/dbraw/zinc/00/14/01/564001401.db2.gz DOIRGGUUJKITDN-JAIQZWGSSA-N 0 0 347.871 4.148 50 30 EIEARN C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@]21CO1 ZINC000005535029 564005156 /nfs/dbraw/zinc/00/51/56/564005156.db2.gz OULYBQZTBUFJRZ-ZUHHCLADSA-N 0 0 344.495 4.461 50 30 biogenic EIEARN C[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccc(C#N)cc1 ZINC000005627213 564006717 /nfs/dbraw/zinc/00/67/17/564006717.db2.gz SKNSUWUXRBUXHE-CYBMUJFWSA-N 0 0 333.416 4.226 50 30 EIEARN C[C@H](Sc1ccc2ccccc2n1)C(=O)NC1(C#N)CCCCC1 ZINC000005627279 564006718 /nfs/dbraw/zinc/00/67/18/564006718.db2.gz KGEKYBMKPAOIAN-AWEZNQCLSA-N 0 0 339.464 4.058 50 30 EIEARN CC(=O)C1C(=O)c2c(cccc2[N+](=O)[O-])C1=Nc1ccc(Cl)cc1 ZINC000017823406 564013069 /nfs/dbraw/zinc/01/30/69/564013069.db2.gz LWGHNYWTSMOYTN-KFTXABOISA-N 0 0 342.738 4.397 50 30 EIEARN CSc1nc(C)nc(Nc2ccc(Cl)cc2Cl)c1C#N ZINC000000132141 564013688 /nfs/dbraw/zinc/01/36/88/564013688.db2.gz SMAGFWHAJOHILQ-UHFFFAOYSA-N 0 0 325.224 4.429 50 30 EIEARN O=C1c2ccccc2C2=C1[C@@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000018010164 564015549 /nfs/dbraw/zinc/01/55/49/564015549.db2.gz AMIBIUDRACBEGW-KRWDZBQOSA-N 0 0 333.412 4.050 50 30 EIEARN CCCCCCCC[C@@H](O)[C@@H](O)CCCCCCCC(=O)OC ZINC000085603902 564017677 /nfs/dbraw/zinc/01/76/77/564017677.db2.gz RITHLQKJQSKUAO-MSOLQXFVSA-N 0 0 330.509 4.363 50 30 EIEARN N#Cc1ccccc1NCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000005689529 564018854 /nfs/dbraw/zinc/01/88/54/564018854.db2.gz LTHTYTOCEDQNNE-UHFFFAOYSA-N 0 0 343.386 4.401 50 30 EIEARN N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1N1CCCC1 ZINC000000538672 564022366 /nfs/dbraw/zinc/02/23/66/564022366.db2.gz CIQLFMCJGQPAOY-UHFFFAOYSA-N 0 0 338.194 4.032 50 30 EIEARN CCOc1ccc(-c2nc(C#N)c(Nc3ccc(OC)cc3)o2)cc1 ZINC000000544556 564022641 /nfs/dbraw/zinc/02/26/41/564022641.db2.gz PFJKAZCVYYMGJW-UHFFFAOYSA-N 0 0 335.363 4.364 50 30 EIEARN C=CCn1c2ccc(NC(=O)Nc3cc(C)cc(C)c3)cc2oc1=O ZINC000046010570 564029164 /nfs/dbraw/zinc/02/91/64/564029164.db2.gz HMMGLIUVXBVKMW-UHFFFAOYSA-N 0 0 337.379 4.041 50 30 EIEARN CN(Cc1ccco1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000048301630 564030818 /nfs/dbraw/zinc/03/08/18/564030818.db2.gz PFGREQWTZGZEKS-UHFFFAOYSA-N 0 0 348.362 4.002 50 30 EIEARN O=C(/C=C/c1csc(-c2ncccn2)n1)c1cccc(Cl)c1 ZINC000048332392 564031163 /nfs/dbraw/zinc/03/11/63/564031163.db2.gz DBFLWUVQQZZCIE-AATRIKPKSA-N 0 0 327.796 4.150 50 30 EIEARN COc1cccc(C=CC(=O)c2nc(-c3ccccc3)[nH]c2C)c1OC ZINC000032915310 564036296 /nfs/dbraw/zinc/03/62/96/564036296.db2.gz SPAHMCQKCNPALU-OUKQBFOZSA-N 0 0 348.402 4.298 50 30 EIEARN C=CCOC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc2ccccc21 ZINC000002913696 564044794 /nfs/dbraw/zinc/04/47/94/564044794.db2.gz OLRXWLKBAIDFJP-ROUUACIJSA-N 0 0 335.403 4.090 50 30 EIEARN Cc1noc(C)c1C(=O)Nc1sc(C)c(-c2ccccc2)c1C#N ZINC000001055740 564054218 /nfs/dbraw/zinc/05/42/18/564054218.db2.gz TZPMWECWAREQGV-UHFFFAOYSA-N 0 0 337.404 4.452 50 30 EIEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C ZINC000257357401 564055948 /nfs/dbraw/zinc/05/59/48/564055948.db2.gz NUSUWEUUEXDJDY-AWTHBLRYSA-N 0 0 342.479 4.149 50 30 EIEARN CC(=O)N[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257358206 564055970 /nfs/dbraw/zinc/05/59/70/564055970.db2.gz SDLZQPJEYFVSOQ-SQDPYLFBSA-N 0 0 329.484 4.023 50 30 EIEARN CCOc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O ZINC000005906320 564056947 /nfs/dbraw/zinc/05/69/47/564056947.db2.gz ZVDISHRNPYMDSO-RBFBNPFJSA-N 0 0 334.371 4.409 50 30 biogenic EIEARN C=CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000001215341 564057419 /nfs/dbraw/zinc/05/74/19/564057419.db2.gz KKCZWDOYIVIUTL-XFFZJAGNSA-N 0 0 330.261 4.381 50 30 EIEARN Cc1nc(SCc2nnc(-c3cccs3)o2)c(C#N)c(C)c1C ZINC000012555188 564059310 /nfs/dbraw/zinc/05/93/10/564059310.db2.gz XAESWGWNPCBGOK-UHFFFAOYSA-N 0 0 342.449 4.282 50 30 EIEARN N#Cc1ccccc1NC(=O)COc1ccccc1-c1ccccc1 ZINC000015311866 564060618 /nfs/dbraw/zinc/06/06/18/564060618.db2.gz XSFNYPDOEGPYBV-UHFFFAOYSA-N 0 0 328.371 4.243 50 30 EIEARN C#CCN(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1cccs1 ZINC000072268179 564063796 /nfs/dbraw/zinc/06/37/96/564063796.db2.gz QATGOZOXRMCNSO-OAHLLOKOSA-N 0 0 340.448 4.061 50 30 EIEARN C=CCN(C(=O)c1cc(C2CC2)nc2onc(C)c21)c1ccccc1 ZINC000084066706 564066026 /nfs/dbraw/zinc/06/60/26/564066026.db2.gz WEXIOBWSYWZOJI-UHFFFAOYSA-N 0 0 333.391 4.241 50 30 EIEARN C=CCN(Cc1ccc(C)s1)Cc1coc2ccccc2c1=O ZINC000063848895 564066396 /nfs/dbraw/zinc/06/63/96/564066396.db2.gz NLQGJQOCECHVPQ-UHFFFAOYSA-N 0 0 325.433 4.351 50 30 EIEARN Cc1oc(-c2cccs2)nc1CSc1nc(C)nc(C)c1C#N ZINC000012765568 564067985 /nfs/dbraw/zinc/06/79/85/564067985.db2.gz NYFWCSUGQWSVCF-UHFFFAOYSA-N 0 0 342.449 4.282 50 30 EIEARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(CC#N)cc1 ZINC000012774434 564069183 /nfs/dbraw/zinc/06/91/83/564069183.db2.gz ULEPVOTYBCIFMO-UHFFFAOYSA-N 0 0 339.445 4.498 50 30 EIEARN C[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000084640122 564069298 /nfs/dbraw/zinc/06/92/98/564069298.db2.gz ZTUHDXLXVQDRKB-NSHDSACASA-N 0 0 338.392 4.292 50 30 EIEARN C=CCn1c(CCn2c3ccccc3c3ccccc32)n[nH]c1=S ZINC000005830976 564070653 /nfs/dbraw/zinc/07/06/53/564070653.db2.gz SEGJYUDMAPFJDH-UHFFFAOYSA-N 0 0 334.448 4.477 50 30 EIEARN C=C(C)COc1cccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)c1 ZINC000000445731 564074564 /nfs/dbraw/zinc/07/45/64/564074564.db2.gz CXXFJEBFRIUSPG-ZDLGFXPLSA-N 0 0 337.350 4.125 50 30 EIEARN CC(C)(O)C#C[C@@](O)(c1ccc(Cl)cc1)c1ccccc1Cl ZINC000000466553 564074615 /nfs/dbraw/zinc/07/46/15/564074615.db2.gz UBJFVIXHVRQNTI-GOSISDBHSA-N 0 0 335.230 4.004 50 30 EIEARN C=CCN1C(=O)S/C(=C\c2ccc(-c3cccc(F)c3)o2)C1=O ZINC000000981211 564074619 /nfs/dbraw/zinc/07/46/19/564074619.db2.gz DOPRHBOLQXOIQW-GDNBJRDFSA-N 0 0 329.352 4.308 50 30 EIEARN O=C(NCCc1ccccc1)c1ccc(C#Cc2ccccc2)cc1 ZINC000001220899 564074664 /nfs/dbraw/zinc/07/46/64/564074664.db2.gz ZNWOMYWBORPBHX-UHFFFAOYSA-N 0 0 325.411 4.059 50 30 EIEARN C=CCn1c(=O)sc2cc(NC(=O)c3cccc(Cl)c3)ccc21 ZINC000015865088 564077178 /nfs/dbraw/zinc/07/71/78/564077178.db2.gz WDXWZBUOPRDCLP-UHFFFAOYSA-N 0 0 344.823 4.155 50 30 EIEARN CC[C@@H](NC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccc(C)cc1 ZINC000012905711 564077817 /nfs/dbraw/zinc/07/78/17/564077817.db2.gz MOISDUWOCHHZOB-GOSISDBHSA-N 0 0 347.418 4.440 50 30 EIEARN CCN(CC)c1ccc(C(=NN)c2ccc(N(CC)CC)cc2)cc1 ZINC000075260694 564081304 /nfs/dbraw/zinc/08/13/04/564081304.db2.gz FCBQGPZSKXSRKX-UHFFFAOYSA-N 0 0 338.499 4.090 50 30 EIEARN N#Cc1cccc(OCC(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000006401003 564085563 /nfs/dbraw/zinc/08/55/63/564085563.db2.gz XSJUQBGFAJVBGZ-UHFFFAOYSA-N 0 0 342.398 4.167 50 30 EIEARN CCc1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)cc1 ZINC000005902780 564093355 /nfs/dbraw/zinc/09/33/55/564093355.db2.gz LOTGNNCDFCTIFT-YBFXNURJSA-N 0 0 342.855 4.332 50 30 EIEARN Cc1cc(O)cc2c1C(=O)/C(=C/c1cccc(Br)c1)O2 ZINC000006669945 564095715 /nfs/dbraw/zinc/09/57/15/564095715.db2.gz KSPOPXJYKZBOQH-AUWJEWJLSA-N 0 0 331.165 4.079 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2)C[C@@H]1c1ccc(C)cc1 ZINC000006891939 564100836 /nfs/dbraw/zinc/10/08/36/564100836.db2.gz MEQUMZWBOYZVSD-TZIWHRDSSA-N 0 0 334.415 4.314 50 30 EIEARN C[C@H](C#N)Sc1nnc(Nc2ccccc2C(F)(F)F)s1 ZINC000007309921 564106677 /nfs/dbraw/zinc/10/66/77/564106677.db2.gz FTWWBISVJPMVKP-SSDOTTSWSA-N 0 0 330.360 4.305 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1cccc(F)c1 ZINC000170615266 564110057 /nfs/dbraw/zinc/11/00/57/564110057.db2.gz RTOKJBUJALOTRM-SJLPKXTDSA-N 0 0 344.407 4.207 50 30 EIEARN N#Cc1ncn(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)n1 ZINC000014143643 564112244 /nfs/dbraw/zinc/11/22/44/564112244.db2.gz AOXRLYHZKIMMKB-UHFFFAOYSA-N 0 0 338.361 4.040 50 30 EIEARN N#C[C@@H](C(=O)Nc1ccccc1F)c1nc(-c2ccccc2)cs1 ZINC000089851279 564114398 /nfs/dbraw/zinc/11/43/98/564114398.db2.gz CBGFMRYBXQEPKV-ZDUSSCGKSA-N 0 0 337.379 4.195 50 30 EIEARN Cc1ccc(CN2CCN(N=Cc3cccc(Cl)c3)CC2)c(C)c1 ZINC000002946841 564117131 /nfs/dbraw/zinc/11/71/31/564117131.db2.gz JJWHTBQHMIFFKB-UHFFFAOYSA-N 0 0 341.886 4.109 50 30 EIEARN Cc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000252429449 564118394 /nfs/dbraw/zinc/11/83/94/564118394.db2.gz QMEZVSBIPYINKF-UHFFFAOYSA-N 0 0 328.828 4.078 50 30 EIEARN CCOC(=O)[C@@H](C#N)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000000394867 564118860 /nfs/dbraw/zinc/11/88/60/564118860.db2.gz CHZJQUIIMIBQFQ-CQSZACIVSA-N 0 0 331.456 4.233 50 30 EIEARN S=C1N=NC(c2ccccc2Cl)N1N=Cc1ccccc1Cl ZINC000002509406 564119068 /nfs/dbraw/zinc/11/90/68/564119068.db2.gz OHQSFZHLLCFMMS-GIJQJNRQSA-N 0 0 349.246 4.423 50 30 EIEARN N#CCc1cccc(C(=O)N(Cc2ccsc2)c2cccnc2)c1 ZINC000193508820 564119545 /nfs/dbraw/zinc/11/95/45/564119545.db2.gz MYQXMFJTGGIBGF-UHFFFAOYSA-N 0 0 333.416 4.056 50 30 EIEARN Cc1ccc(NC=c2c(C)c(C#N)c3nc4ccccc4n3c2=O)cc1 ZINC000252595295 564121116 /nfs/dbraw/zinc/12/11/16/564121116.db2.gz BZDKFCBBVYPTMC-UHFFFAOYSA-N 0 0 340.386 4.432 50 30 EIEARN CC(C)(C)C(=O)C=CNc1ccc(I)cc1 ZINC000252602713 564121230 /nfs/dbraw/zinc/12/12/30/564121230.db2.gz FJTDGTLAUGVREQ-KEZZZWCQSA-N 0 0 329.181 4.482 50 30 EIEARN C=CCN1C(=O)/C(=C\c2ccccc2O)SC1=Nc1ccccc1 ZINC000252605350 564121262 /nfs/dbraw/zinc/12/12/62/564121262.db2.gz GJGWKNTXTJISIM-WSRIWQLKSA-N 0 0 336.416 4.182 50 30 EIEARN CN1C(=O)/C(=C\c2cccc(O)c2)SC1=Nc1ccc(Cl)cc1 ZINC000252624513 564123206 /nfs/dbraw/zinc/12/32/06/564123206.db2.gz PPHDTZRKPJWVKM-MKODQCMXSA-N 0 0 344.823 4.279 50 30 EIEARN N#Cc1ccc(OC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1 ZINC000007784752 564123263 /nfs/dbraw/zinc/12/32/63/564123263.db2.gz WSRNNWWBBSQJRR-UHFFFAOYSA-N 0 0 327.554 4.133 50 30 EIEARN CC(C)N1C(=O)/C(=C/c2ccccc2O)SC1=Nc1ccccc1 ZINC000252638748 564124610 /nfs/dbraw/zinc/12/46/10/564124610.db2.gz YFSSEVSZKLKLQY-HDTIWSQQSA-N 0 0 338.432 4.405 50 30 EIEARN COc1ccc([C@@H]2O[C@@H]2C(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 ZINC000103463093 564125555 /nfs/dbraw/zinc/12/55/55/564125555.db2.gz NONMRNVMRORZLC-DSWUPOHZSA-N 0 0 349.430 4.016 50 30 EIEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21C=CC(=O)O1 ZINC000071770775 564129484 /nfs/dbraw/zinc/12/94/84/564129484.db2.gz BGUOVGQHDRRBST-HCWGXPEJSA-N 0 0 340.463 4.370 50 30 EIEARN CC(=O)[C@@]12O[C@]1(C)C[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257345459 564130207 /nfs/dbraw/zinc/13/02/07/564130207.db2.gz LMVLICSGVDWDSM-BGHGPXJHSA-N 0 0 344.495 4.037 50 30 EIEARN COc1ccc(-c2c(C#N)c(=O)oc3c4ccccc4ccc32)cc1 ZINC000253471361 564132613 /nfs/dbraw/zinc/13/26/13/564132613.db2.gz QFIWBVUBKFIDLW-UHFFFAOYSA-N 0 0 327.339 4.493 50 30 EIEARN N#Cc1cc2c(nc1SCc1ccc(Cl)cc1)CCCC2=O ZINC000000079425 564132784 /nfs/dbraw/zinc/13/27/84/564132784.db2.gz HNWJWLXNHDPOPQ-UHFFFAOYSA-N 0 0 328.824 4.418 50 30 EIEARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C#N)cc1 ZINC000000096481 564132818 /nfs/dbraw/zinc/13/28/18/564132818.db2.gz AFMWHAFETUJNQL-SNVBAGLBSA-N 0 0 335.190 4.271 50 30 EIEARN CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000000514048 564133327 /nfs/dbraw/zinc/13/33/27/564133327.db2.gz GCRJKTWYBFDTQA-UHFFFAOYSA-N 0 0 326.421 4.148 50 30 EIEARN CCOc1cc(C#N)ccc1OCc1cc(Cl)cc2c1OCOC2 ZINC000008746116 564134072 /nfs/dbraw/zinc/13/40/72/564134072.db2.gz BRENOOGRGUVCGZ-UHFFFAOYSA-N 0 0 345.782 4.056 50 30 EIEARN Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)CC[C@@H]1CCCO1 ZINC000328591502 564136748 /nfs/dbraw/zinc/13/67/48/564136748.db2.gz NKAPPGBYBSIHBO-JXFKEZNVSA-N 0 0 340.423 4.019 50 30 EIEARN CSc1nc(-c2ccc(C)cc2)c(C#N)c(N2CCCC[C@H]2C)n1 ZINC000019820725 564138190 /nfs/dbraw/zinc/13/81/90/564138190.db2.gz BBRBQJVVYPLZGE-CQSZACIVSA-N 0 0 338.480 4.424 50 30 EIEARN N#CCC[C@H](C#N)CN1CCC(c2nc3cc(F)ccc3s2)CC1 ZINC000095407050 564139601 /nfs/dbraw/zinc/13/96/01/564139601.db2.gz IMMZDTGOFGBUCW-CYBMUJFWSA-N 0 0 342.443 4.058 50 30 EIEARN COCc1cccc(C(=O)Nc2ccccc2SCCC#N)c1 ZINC000095953420 564142369 /nfs/dbraw/zinc/14/23/69/564142369.db2.gz DTHUKRMUQWPEQC-UHFFFAOYSA-N 0 0 326.421 4.091 50 30 EIEARN C#CCN(Cc1ccccc1Cl)C(=O)/C=C\c1cccc(F)c1 ZINC000096134107 564145757 /nfs/dbraw/zinc/14/57/57/564145757.db2.gz MBHDVKZCCRWWBV-KHPPLWFESA-N 0 0 327.786 4.154 50 30 EIEARN C=CCOc1ccc(C(=O)Nc2ccc(-c3nc(CC)no3)cc2)cc1 ZINC000096346761 564146875 /nfs/dbraw/zinc/14/68/75/564146875.db2.gz DEXYWKZBFHCRIO-UHFFFAOYSA-N 0 0 349.390 4.116 50 30 EIEARN O=C1c2c3cc(F)ccc3[nH]c2CC/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000097029941 564149197 /nfs/dbraw/zinc/14/91/97/564149197.db2.gz VHWWBBVDNXQZNJ-WQLSENKSSA-N 0 0 336.322 4.428 50 30 EIEARN CCc1c(C)sc(NC(=O)c2ccoc2Br)c1C#N ZINC000225590235 564149820 /nfs/dbraw/zinc/14/98/20/564149820.db2.gz MTXYGVSTXCTZFO-UHFFFAOYSA-N 0 0 339.214 4.098 50 30 EIEARN CCCCCCCCOc1nc2ccccc2c(N)c1C(=O)OC ZINC000299738175 564150502 /nfs/dbraw/zinc/15/05/02/564150502.db2.gz GHUNCHIEDZXNNX-UHFFFAOYSA-N 0 0 330.428 4.343 50 30 EIEARN C=CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000002721381 564152257 /nfs/dbraw/zinc/15/22/57/564152257.db2.gz UXRZEKGEZSLXPE-CYBMUJFWSA-N 0 0 339.826 4.367 50 30 EIEARN CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000002790734 564152661 /nfs/dbraw/zinc/15/26/61/564152661.db2.gz ZDZNRYQJVVHBHU-UHFFFAOYSA-N 0 0 326.421 4.150 50 30 EIEARN O=C(/C=C\c1cccc(Oc2ccccc2)c1)c1ccccc(=O)c1O ZINC000230190589 564155103 /nfs/dbraw/zinc/15/51/03/564155103.db2.gz COHUALZVLJUNNI-YPKPFQOOSA-N 0 0 344.366 4.441 50 30 EIEARN N#Cc1ccsc1NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000007988068 564161884 /nfs/dbraw/zinc/16/18/84/564161884.db2.gz PPCPYOVONUYKJQ-UHFFFAOYSA-N 0 0 343.408 4.064 50 30 EIEARN N#Cc1c(N)nc(-c2ccc(O)cc2)cc1-c1c[nH]c2ccccc21 ZINC000039027562 564166348 /nfs/dbraw/zinc/16/63/48/564166348.db2.gz QTZPHJDSCWANPP-UHFFFAOYSA-N 0 0 326.359 4.056 50 30 EIEARN Fc1ccccc1/C=N/NC(=S)Nc1ccc(Cl)cc1Cl ZINC000008691112 564166373 /nfs/dbraw/zinc/16/63/73/564166373.db2.gz KVHRLKBZRBQJDR-QGMBQPNBSA-N 0 0 342.226 4.453 50 30 EIEARN CC(=NOCc1ccc(C#N)cc1)c1nc2ccccc2n1C(F)F ZINC000245284197 564168956 /nfs/dbraw/zinc/16/89/56/564168956.db2.gz QNJXLOHLLJDURL-UHFFFAOYSA-N 0 0 340.333 4.244 50 30 EIEARN Cc1noc([C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)n1 ZINC000069460895 564169729 /nfs/dbraw/zinc/16/97/29/564169729.db2.gz LAGQDFBFKBBRDR-ZDUSSCGKSA-N 0 0 334.379 4.002 50 30 EIEARN C[C@H](Cc1ccco1)NC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000069622795 564170982 /nfs/dbraw/zinc/17/09/82/564170982.db2.gz FIMIPDNDBPNCEE-UONOGXRCSA-N 0 0 343.452 4.284 50 30 EIEARN CS[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000069652906 564171135 /nfs/dbraw/zinc/17/11/35/564171135.db2.gz FBEXTQKVOMLIHZ-SECBINFHSA-N 0 0 348.415 4.401 50 30 EIEARN CC(=CC(=O)[C@@H](C#N)c1ccccn1)c1ccc(C(F)(F)F)cc1 ZINC000069777098 564172184 /nfs/dbraw/zinc/17/21/84/564172184.db2.gz AZIOBYNBHMDYSQ-WQTVUKCASA-N 0 0 330.309 4.380 50 30 EIEARN COc1ccc2cc(C(=O)/C=C/c3ccc(Cl)cc3)c(=O)oc2c1 ZINC000071328606 564174952 /nfs/dbraw/zinc/17/49/52/564174952.db2.gz YBRZVHVFLAZHHQ-RUDMXATFSA-N 0 0 340.762 4.351 50 30 EIEARN C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 ZINC000004842544 568416444 /nfs/dbraw/zinc/41/64/44/568416444.db2.gz SKIURGXESIFBMW-AWEZNQCLSA-N 0 0 337.398 4.328 50 30 EIEARN N#Cc1ccc(-c2ccccc2)nc1Sc1ncccc1[N+](=O)[O-] ZINC000013575913 568421558 /nfs/dbraw/zinc/42/15/58/568421558.db2.gz YZMYFZODCSRYGS-UHFFFAOYSA-N 0 0 334.360 4.075 50 30 EIEARN CC(=NNC(=S)NCc1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000263629443 1032250528 /nfs/dbraw/zinc/25/05/28/1032250528.db2.gz FPDMXLIDOJCXGJ-UHFFFAOYSA-N 0 0 339.508 4.372 50 30 EIEARN O=C1C(=C/c2ccccc2)/C(=N/Cc2ccccc2)N=C2SC=CN21 ZINC000013014874 1019823063 /nfs/dbraw/zinc/82/30/63/1019823063.db2.gz UZEIGAUXUPRTML-BPDGMXDZSA-N 0 0 345.427 4.085 50 30 EIEARN N#Cc1ccc(CSc2n[nH]c(C=Cc3ccc(F)cc3)n2)cc1 ZINC000014173848 1022809420 /nfs/dbraw/zinc/80/94/20/1022809420.db2.gz AVMPFRXXYODUNT-JXMROGBWSA-N 0 0 336.395 4.278 50 30 EIEARN O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(O)c1 ZINC000098054044 1023226930 /nfs/dbraw/zinc/22/69/30/1023226930.db2.gz KSUCPCXAAUTQAJ-NTMALXAHSA-N 0 0 335.315 4.457 50 30 EIEARN CC(C)(C)c1nnc(CNC(=O)N2CCC(C(C)(C)C)CC2)s1 ZINC000329880484 1023607486 /nfs/dbraw/zinc/60/74/86/1023607486.db2.gz NPKXQGNUNXFTID-UHFFFAOYSA-N 0 0 338.521 4.008 50 30 EIEARN Cc1ccc2ncc(C#N)c(N3CCC(Cc4cccnc4)CC3)c2c1 ZINC000330192447 1023620598 /nfs/dbraw/zinc/62/05/98/1023620598.db2.gz XYJOWSRNXMOMGR-UHFFFAOYSA-N 0 0 342.446 4.269 50 30 EIEARN N#CC1(c2ccc(C(=O)N[C@@H]3CCCc4ccc(F)cc43)cc2)CC1 ZINC000619450760 1031892566 /nfs/dbraw/zinc/89/25/66/1031892566.db2.gz KZKWPVHXRAPQFZ-LJQANCHMSA-N 0 0 334.394 4.188 50 30 EIEARN CCOC(=O)c1c(N=Cc2ccc(C)cc2O)sc2c1CCC2 ZINC000254797596 1036014704 /nfs/dbraw/zinc/01/47/04/1036014704.db2.gz KIHKDXASBNNIJX-UHFFFAOYSA-N 0 0 329.421 4.178 50 30 EIEARN CC(=NNC(=S)NC1CCCCC1)c1ccc2ccccc2c1 ZINC000254901546 1036141738 /nfs/dbraw/zinc/14/17/38/1036141738.db2.gz INDCDSXQIHYRQT-UHFFFAOYSA-N 0 0 325.481 4.361 50 30 EIEARN C=CCSc1ccccc1NS(=O)(=O)/C=C\c1ccccc1 ZINC000096875418 1039625209 /nfs/dbraw/zinc/62/52/09/1039625209.db2.gz ZHPVMIHXDHTQAG-OWBHPGMISA-N 0 0 331.462 4.377 50 30 EIEARN COc1ccc(C(=O)/C=C\c2ccc(-n3ccnc3)c(F)c2)cc1F ZINC000096991245 1039872735 /nfs/dbraw/zinc/87/27/35/1039872735.db2.gz PLRDTWCDTBVNHI-UTCJRWHESA-N 0 0 340.329 4.055 50 30 EIEARN CCOc1c(Cl)cc(/C=C\C(=O)c2ccc(O)cc2)cc1OC ZINC000096766259 1041609947 /nfs/dbraw/zinc/60/99/47/1041609947.db2.gz CKNUGXXJPOLMIT-WTKPLQERSA-N 0 0 332.783 4.349 50 30 EIEARN C=CCN(C(=O)/C=C\c1cccnc1)c1nc(-c2ccccc2)cs1 ZINC000098004388 1043043402 /nfs/dbraw/zinc/04/34/02/1043043402.db2.gz KWBZOKQTPAUTHX-KHPPLWFESA-N 0 0 347.443 4.438 50 30 EIEARN O=C1N/C(=N/C2CCCC2)S/C1=C/c1cc2c(cccc2O)s1 ZINC000606445558 1043066517 /nfs/dbraw/zinc/06/65/17/1043066517.db2.gz QJIBBRPJTCHLQT-OQLLNIDSSA-N 0 0 344.461 4.109 50 30 EIEARN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C[C@@H]2CC[C@@H](C)C2)c1C ZINC000131184132 1045172568 /nfs/dbraw/zinc/17/25/68/1045172568.db2.gz QMFJENSZPDTYCS-CXAGYDPISA-N 0 0 336.439 4.126 50 30 EIEARN COc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000002814157 1045257492 /nfs/dbraw/zinc/25/74/92/1045257492.db2.gz HWEFKVXVEWDFPG-UHFFFAOYSA-N 0 0 326.421 4.150 50 30 EIEARN CC(C)c1nnc(CNc2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000268035190 1045814650 /nfs/dbraw/zinc/81/46/50/1045814650.db2.gz LZRVNRZQLWYHJA-UHFFFAOYSA-N 0 0 326.347 4.164 50 30 EIEARN C#CCCC1(CCC(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)N=N1 ZINC000952879730 1049678796 /nfs/dbraw/zinc/67/87/96/1049678796.db2.gz GYTZQUQFQYVRHF-GOSISDBHSA-N 0 0 341.430 4.105 50 30 EIEARN C#CCCC1(CCC(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)N=N1 ZINC000952879354 1049678905 /nfs/dbraw/zinc/67/89/05/1049678905.db2.gz DHWZIGZVMOOKAL-SFHVURJKSA-N 0 0 335.451 4.138 50 30 EIEARN C#CCCC1(CCC(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)N=N1 ZINC000952882140 1049681881 /nfs/dbraw/zinc/68/18/81/1049681881.db2.gz RQJVVTHKZHNJPE-OAHLLOKOSA-N 0 0 329.831 4.012 50 30 EIEARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C#N ZINC000000357628 1055998098 /nfs/dbraw/zinc/99/80/98/1055998098.db2.gz ODFAWACEDNDXSE-SNVBAGLBSA-N 0 0 335.190 4.271 50 30 EIEARN COc1ccc(OC)c(C(=O)C=CNc2ccc(F)cc2Cl)c1 ZINC000051318563 214089226 /nfs/dbraw/zinc/08/92/26/214089226.db2.gz OXIZBVZLDDDHKZ-BQYQJAHWSA-N 0 0 335.762 4.305 50 30 EIEARN O=C(/C=C\c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000097636056 219043723 /nfs/dbraw/zinc/04/37/23/219043723.db2.gz JTGBZIJCASWRRL-CLTKARDFSA-N 0 0 345.192 4.116 50 30 EIEARN Cc1ccc(OC2CCN(c3snc(Cl)c3C#N)CC2)cc1C ZINC000052426602 214127862 /nfs/dbraw/zinc/12/78/62/214127862.db2.gz FSMHIYYRECOFAI-UHFFFAOYSA-N 0 0 347.871 4.333 50 30 EIEARN COc1cc(/N=C/c2c(O)ccc3ccccc32)cc(OC)c1OC ZINC000004705089 210255105 /nfs/dbraw/zinc/25/51/05/210255105.db2.gz FQCSMBQEGMKRMM-CIAFOILYSA-N 0 0 337.375 4.322 50 30 EIEARN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000004699806 210251938 /nfs/dbraw/zinc/25/19/38/210251938.db2.gz WDSZDXLPWNQROW-UHFFFAOYSA-N 0 0 349.217 4.162 50 30 EIEARN COc1ccc([C@H](C#N)N2N=C(C)C[C@@H]2c2ccccc2)c(OC)c1 ZINC000004699649 210251380 /nfs/dbraw/zinc/25/13/80/210251380.db2.gz WAQZDUSJOXUGHC-MOPGFXCFSA-N 0 0 335.407 4.091 50 30 EIEARN C=CCS[C@@H](C)C(=O)Nc1ccccc1Sc1c(C)n[nH]c1C ZINC000055211364 214287979 /nfs/dbraw/zinc/28/79/79/214287979.db2.gz XBTLQWFVMFERCO-ZDUSSCGKSA-N 0 0 347.509 4.424 50 30 EIEARN COc1ccccc1CN(Cc1ccc(C#N)cc1)Cc1cccnc1 ZINC000055403857 214319558 /nfs/dbraw/zinc/31/95/58/214319558.db2.gz JJTFMORKDHWMGX-UHFFFAOYSA-N 0 0 343.430 4.164 50 30 EIEARN Cc1cc(C)c(NC(=S)NCC#Cc2ccccc2)c(Cl)c1 ZINC000055470309 214325231 /nfs/dbraw/zinc/32/52/31/214325231.db2.gz HHRUXNSKTMMHJA-UHFFFAOYSA-N 0 0 328.868 4.295 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C2c3ccccc3CC[C@H]2[C@H]1c1ccccc1 ZINC000004666832 210241717 /nfs/dbraw/zinc/24/17/17/210241717.db2.gz MBEZJVHYCSPIDX-QIJUGHKUSA-N 0 0 346.426 4.178 50 30 EIEARN CSc1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1 ZINC000004660162 210240044 /nfs/dbraw/zinc/24/00/44/210240044.db2.gz OALXKQLHAPTATF-GDNBJRDFSA-N 0 0 344.436 4.439 50 30 EIEARN CCCN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000058428421 214586316 /nfs/dbraw/zinc/58/63/16/214586316.db2.gz INXQOZJTHOIFRP-UHFFFAOYSA-N 0 0 337.423 4.205 50 30 EIEARN Cc1nc(-c2ccccc2)nc([N-][NH+]=Cc2ccc(N(C)C)cc2)c1C ZINC000004595681 210229562 /nfs/dbraw/zinc/22/95/62/210229562.db2.gz DEMFXMJDNUDFQB-HYARGMPZSA-N 0 0 345.450 4.272 50 30 EIEARN CC(=O)C(=CNc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1 ZINC000100068275 219090088 /nfs/dbraw/zinc/09/00/88/219090088.db2.gz LTDNCPNCAJQMJC-WJDWOHSUSA-N 0 0 348.324 4.229 50 30 EIEARN CCOC(=O)c1ccc(NC(C)=C2Sc3ccccc3C2=O)cc1 ZINC000100216303 219094192 /nfs/dbraw/zinc/09/41/92/219094192.db2.gz ONNXNUWRMYTNLV-PDGQHHTCSA-N 0 0 339.416 4.495 50 30 EIEARN COc1ccc(/N=C2\c3cccc4c3N(C2=O)C(C)(C)C=C4C)cc1 ZINC000100417549 219098127 /nfs/dbraw/zinc/09/81/27/219098127.db2.gz QHNQUIVKUHGULQ-RELWKKBWSA-N 0 0 332.403 4.358 50 30 EIEARN O=C1Nc2c(cccc2Cl)/C1=N/c1ccc(Br)cc1 ZINC000004480861 210200086 /nfs/dbraw/zinc/20/00/86/210200086.db2.gz CEQIRDMBVBIHNL-UHFFFAOYSA-N 0 0 335.588 4.175 50 30 EIEARN CCOc1ccc2ncc(C#N)c(NCc3ccc(OC)cc3)c2c1 ZINC000064438774 214784680 /nfs/dbraw/zinc/78/46/80/214784680.db2.gz OOCAMJVMUZIOBB-UHFFFAOYSA-N 0 0 333.391 4.126 50 30 EIEARN CC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)cc(C)c1C#N ZINC000004459511 210195368 /nfs/dbraw/zinc/19/53/68/210195368.db2.gz ACDAIOMIYURTPW-UHFFFAOYSA-N 0 0 340.492 4.411 50 30 EIEARN N#Cc1c(Cl)nc(N=NCc2ccc(F)cc2)c(Cl)c1Cl ZINC000004458827 210194113 /nfs/dbraw/zinc/19/41/13/210194113.db2.gz HXMBVJGONRTDPR-KPSZGOFPSA-N 0 0 343.576 4.499 50 30 EIEARN CCCCCCCCCCC[C@@H]1NC(=O)NC(C)=C1C(=O)OCC ZINC000100723336 219105075 /nfs/dbraw/zinc/10/50/75/219105075.db2.gz XGPRBKIBJHTTMT-INIZCTEOSA-N 0 0 338.492 4.426 50 30 EIEARN CC(C)(C)CC(=O)ONC(=N)C1(c2ccc(Cl)cc2Cl)CC1 ZINC000004390191 210186334 /nfs/dbraw/zinc/18/63/34/210186334.db2.gz NKSBVDLLTVCXGD-UHFFFAOYSA-N 0 0 343.254 4.277 50 30 EIEARN COc1cc(OC)cc(C(=O)/C=C2/N(C)c3ccccc3C2(C)C)c1 ZINC000101016878 219114366 /nfs/dbraw/zinc/11/43/66/219114366.db2.gz HDSAXDLHQVEJEJ-DEDYPNTBSA-N 0 0 337.419 4.198 50 30 EIEARN CC(=[NH+]C1CCCC1)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000101156790 219117733 /nfs/dbraw/zinc/11/77/33/219117733.db2.gz HXCLQVIUWPDBNP-YBFXNURJSA-N 0 0 340.452 4.248 50 30 EIEARN Cc1nn(-c2ccccc2)cc1C=NN=c1[nH]c2ccccc2s1 ZINC000004335164 210174528 /nfs/dbraw/zinc/17/45/28/210174528.db2.gz QPXZJCFQRZMBHF-YBFXNURJSA-N 0 0 333.420 4.236 50 30 EIEARN Cc1csc2ncnc(N=NCc3ccc(C(F)(F)F)cc3)c12 ZINC000004324053 210170540 /nfs/dbraw/zinc/17/05/40/210170540.db2.gz YDBCXUWVWGUTKK-AERZKKPOSA-N 0 0 336.342 4.465 50 30 EIEARN CC1(C)[C@H]2CC[C@]1(C)C(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000004323723 210170725 /nfs/dbraw/zinc/17/07/25/210170725.db2.gz NMBKAYQOVKPVRQ-MNQFEWIQSA-N 0 0 332.360 4.117 50 30 EIEARN CN(C)/C=N/c1c(-c2nc(-c3ccc(Cl)cc3)cs2)cnn1C ZINC000004323297 210170403 /nfs/dbraw/zinc/17/04/03/210170403.db2.gz MIKJMMURZJNYKE-VCHYOVAHSA-N 0 0 345.859 4.085 50 30 EIEARN CCc1nc2ccc(-c3noc(-c4ccc(C#N)cc4)n3)cc2n1CC ZINC000065240688 214850406 /nfs/dbraw/zinc/85/04/06/214850406.db2.gz SGDSYJOVSSHSCX-UHFFFAOYSA-N 0 0 343.390 4.207 50 30 EIEARN Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc(C#N)cc1 ZINC000048312612 213918777 /nfs/dbraw/zinc/91/87/77/213918777.db2.gz OZXNIKAGSZIOEM-UHFFFAOYSA-N 0 0 341.414 4.104 50 30 EIEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000004033526 210104478 /nfs/dbraw/zinc/10/44/78/210104478.db2.gz HGBZWKXDWCLHIN-KRWDZBQOSA-N 0 0 345.446 4.360 50 30 EIEARN CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000004031741 210104881 /nfs/dbraw/zinc/10/48/81/210104881.db2.gz MDYBHGUOWUIVKZ-UHFFFAOYSA-N 0 0 347.399 4.137 50 30 EIEARN CCN1C(=O)/C(=C\c2ccccc2O)S/C1=N/c1ccc(C)cc1 ZINC000003983304 210097107 /nfs/dbraw/zinc/09/71/07/210097107.db2.gz ULDYUPSFWIVPKL-KFBYJWCXSA-N 0 0 338.432 4.325 50 30 EIEARN C=CC(C)(C)c1cc(/C=C/C(=O)c2ccc(O)cc2)c(OC)cc1O ZINC000003873123 210082396 /nfs/dbraw/zinc/08/23/96/210082396.db2.gz KAZSKMJFUPEHHW-DHZHZOJOSA-N 0 0 338.403 4.466 50 30 biogenic,in-vivo EIEARN CC(C)N1C(=O)/C(=C\c2ccccc2O)S/C1=N/c1ccccc1 ZINC000102238681 219192173 /nfs/dbraw/zinc/19/21/73/219192173.db2.gz YFSSEVSZKLKLQY-KFBYJWCXSA-N 0 0 338.432 4.405 50 30 EIEARN CCCCOc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1OCC ZINC000003432525 210037771 /nfs/dbraw/zinc/03/77/71/210037771.db2.gz NOAFCKILRMKDCA-UHFFFAOYSA-N 0 0 338.407 4.388 50 30 EIEARN N#CC1CCN(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000067012665 215103939 /nfs/dbraw/zinc/10/39/39/215103939.db2.gz VXMHDXMQSJUWPX-UHFFFAOYSA-N 0 0 346.390 4.262 50 30 EIEARN CC(C)OCc1c2ccccc2oc1C(=O)Nc1ccc(C#N)cc1 ZINC000003337064 210011920 /nfs/dbraw/zinc/01/19/20/210011920.db2.gz JXSOINWPKJWIOQ-UHFFFAOYSA-N 0 0 334.375 4.482 50 30 EIEARN N#Cc1c(N)nc(-c2cccc(O)c2)cc1-c1cccc2ncccc21 ZINC000067784787 215210217 /nfs/dbraw/zinc/21/02/17/215210217.db2.gz IBJLXMJSWMAFCN-UHFFFAOYSA-N 0 0 338.370 4.123 50 30 EIEARN Cc1cc(C(F)(F)F)c(C#N)c(SCc2nnc(C(C)C)o2)n1 ZINC000069351005 215385949 /nfs/dbraw/zinc/38/59/49/215385949.db2.gz RJVXTEKJASSOAX-UHFFFAOYSA-N 0 0 342.346 4.079 50 30 EIEARN COc1cc(C#N)ccc1OC(=O)CCCc1ccc(Cl)cc1 ZINC000040140831 213272212 /nfs/dbraw/zinc/27/22/12/213272212.db2.gz HDPGSRAYXLMYKK-UHFFFAOYSA-N 0 0 329.783 4.149 50 30 EIEARN O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc(F)c(F)c1 ZINC000040139755 213271285 /nfs/dbraw/zinc/27/12/85/213271285.db2.gz DSIMGFAUTUTUCN-FNORWQNLSA-N 0 0 328.343 4.379 50 30 EIEARN N#Cc1cccc(Oc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c1 ZINC000069600509 215494387 /nfs/dbraw/zinc/49/43/87/215494387.db2.gz ABZVYCWXIOAQAX-UHFFFAOYSA-N 0 0 342.280 4.221 50 30 EIEARN COc1ccc(CNc2oc(/C=C/c3ccc(F)cc3)nc2C#N)cc1 ZINC000039404210 213236562 /nfs/dbraw/zinc/23/65/62/213236562.db2.gz KFOAKSDVTSFUNU-IZZDOVSWSA-N 0 0 349.365 4.476 50 30 EIEARN Cc1ccc(Cn2c(-c3ccc(Cl)cc3)ccc(C#N)c2=O)cc1 ZINC000001402961 209741321 /nfs/dbraw/zinc/74/13/21/209741321.db2.gz SSZXOHILUAJFIY-UHFFFAOYSA-N 0 0 334.806 4.397 50 30 EIEARN Cc1ccccc1Cn1ccc(-c2ccc(Cl)cc2)c(C#N)c1=O ZINC000001401918 209740561 /nfs/dbraw/zinc/74/05/61/209740561.db2.gz UVEHOFRZQIMPHM-UHFFFAOYSA-N 0 0 334.806 4.397 50 30 EIEARN CC(N=Nc1ncnc2sc3c(c21)CCCC3)c1ccc(O)cc1 ZINC000036092609 213062037 /nfs/dbraw/zinc/06/20/37/213062037.db2.gz DVKGHSXTAIJQSD-NHDPSOOVSA-N 0 0 338.436 4.112 50 30 EIEARN CC[C@@]1(c2ccc(-c3ccccc3)cc2)O[C@H](OC(C)=O)C=CC1=O ZINC000071769378 215823216 /nfs/dbraw/zinc/82/32/16/215823216.db2.gz GTAHYLWVBMXNLQ-SFTDATJTSA-N 0 0 336.387 4.004 50 30 EIEARN COC(=O)c1ccc(/C=C/C(=O)c2sc(C(C)(C)C)nc2C)cc1 ZINC000032915305 212870470 /nfs/dbraw/zinc/87/04/70/212870470.db2.gz RVIYOLRJDMOTNA-DHZHZOJOSA-N 0 0 343.448 4.432 50 30 EIEARN CCc1nnc([C@@H](C)Sc2nc(C)cc(C(F)(F)F)c2C#N)o1 ZINC000071893926 215932785 /nfs/dbraw/zinc/93/27/85/215932785.db2.gz LHIKPJVDVPUKST-MRVPVSSYSA-N 0 0 342.346 4.079 50 30 EIEARN CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO ZINC000032840893 212853513 /nfs/dbraw/zinc/85/35/13/212853513.db2.gz KVYUBFKSKZWZSV-ZEVQVBBLSA-N 0 0 328.493 4.140 50 30 endogenous,in-man EIEARN C=CCOc1cc(C(=O)Nc2cc(C)nn2CCC)cc2occc21 ZINC000072240222 216079373 /nfs/dbraw/zinc/07/93/73/216079373.db2.gz ONDZPXYACAPKEU-UHFFFAOYSA-N 0 0 339.395 4.165 50 30 EIEARN O=C(Nc1ccccc1)c1ccccc1/N=C/c1ccc2c(c1)OCO2 ZINC000000358006 209548300 /nfs/dbraw/zinc/54/83/00/209548300.db2.gz RAHUHZHZIJECLH-LPYMAVHISA-N 0 0 344.370 4.418 50 30 EIEARN CCOc1cc(C#N)cc(Br)c1OCc1ccccc1 ZINC000000296154 209522124 /nfs/dbraw/zinc/52/21/24/209522124.db2.gz QFQHZKCMRVXNND-UHFFFAOYSA-N 0 0 332.197 4.298 50 30 EIEARN N#Cc1c(N)n(-c2ccc3ccccc3c2)c2nc3ccccc3nc12 ZINC000000188266 209473145 /nfs/dbraw/zinc/47/31/45/209473145.db2.gz VYWKBYOSFGGPFM-UHFFFAOYSA-N 0 0 335.370 4.181 50 30 EIEARN COc1ccc(C(C)=O)cc1CO/N=C1\CSCc2ccccc21 ZINC000000138465 209444561 /nfs/dbraw/zinc/44/45/61/209444561.db2.gz DGSPLCCKBKNSMH-CZIZESTLSA-N 0 0 341.432 4.066 50 30 EIEARN C=CCc1cccc2cc(C(=O)N[C@H](C)c3ccccc3)c(=O)oc21 ZINC000000105751 209424002 /nfs/dbraw/zinc/42/40/02/209424002.db2.gz PNHQCDKQSDBGIV-CQSZACIVSA-N 0 0 333.387 4.013 50 30 EIEARN COc1nc(-c2cccs2)cc(-c2cccc([N+](=O)[O-])c2)c1C#N ZINC000000075246 209403466 /nfs/dbraw/zinc/40/34/66/209403466.db2.gz YSPYYEMFSRYFFD-UHFFFAOYSA-N 0 0 337.360 4.266 50 30 EIEARN Oc1ccc(/C=N/c2ccc(Br)c(Cl)c2)cc1O ZINC000000046052 209388560 /nfs/dbraw/zinc/38/85/60/209388560.db2.gz SGQFOMSSXAKSRW-FRKPEAEDSA-N 0 0 326.577 4.264 50 30 EIEARN CCn1cc(CN(C)Cc2csc(-c3cccs3)n2)cc1C#N ZINC000072433553 216227964 /nfs/dbraw/zinc/22/79/64/216227964.db2.gz RPCTXUOELFYJQJ-UHFFFAOYSA-N 0 0 342.493 4.197 50 30 EIEARN C=CCn1c(SC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000027460293 212558577 /nfs/dbraw/zinc/55/85/77/212558577.db2.gz SIDKZHRWSUEXMA-UHFFFAOYSA-N 0 0 338.476 4.186 50 30 EIEARN Cc1sc2ncnc(SCCOc3ccc(C#N)cc3)c2c1C ZINC000023560234 212382801 /nfs/dbraw/zinc/38/28/01/212382801.db2.gz DLHGUOAONMWMHA-UHFFFAOYSA-N 0 0 341.461 4.351 50 30 EIEARN Cc1ccc(SCC(=O)N(CCC#N)c2ccc(F)cc2)cc1C ZINC000023642432 212387327 /nfs/dbraw/zinc/38/73/27/212387327.db2.gz JSFIPPOFBGWCCH-UHFFFAOYSA-N 0 0 342.439 4.482 50 30 EIEARN COc1ccc([C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)C(C)C)cc1 ZINC000021673753 212238463 /nfs/dbraw/zinc/23/84/63/212238463.db2.gz BQJZJTLIJFFAKL-SFHVURJKSA-N 0 0 325.368 4.284 50 30 EIEARN CCc1nc(N[C@@H](C)Cc2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000020840252 212175186 /nfs/dbraw/zinc/17/51/86/212175186.db2.gz LWYWAKSBJOLHDS-HNNXBMFYSA-N 0 0 349.478 4.410 50 30 EIEARN Cc1noc2c1[C@@H](C(C)C)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000020733014 212166971 /nfs/dbraw/zinc/16/69/71/212166971.db2.gz AFHHHLFGAJOBGJ-CXAGYDPISA-N 0 0 338.407 4.255 50 30 EIEARN CCN(CC)c1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N ZINC000019794132 212068673 /nfs/dbraw/zinc/06/86/73/212068673.db2.gz VILVCNUNVAJIHG-UHFFFAOYSA-N 0 0 332.860 4.237 50 30 EIEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@H](c3ccc(F)cc3)[C@@H]12 ZINC000019375100 212024753 /nfs/dbraw/zinc/02/47/53/212024753.db2.gz CMYNHMJHHPXPAW-AZUAARDMSA-N 0 0 345.373 4.232 50 30 EIEARN Cc1ccc2c3c1C(=NNc1ccccc1)C(=O)N3C(C)(C)C=C2C ZINC000014729778 211757012 /nfs/dbraw/zinc/75/70/12/211757012.db2.gz APANBFCCIGWURI-PTGBLXJZSA-N 0 0 331.419 4.353 50 30 EIEARN COc1ccc(/C=C2\CSc3c(F)cccc3C2=O)cc1OC ZINC000014198774 211709305 /nfs/dbraw/zinc/70/93/05/211709305.db2.gz YAOYTVFXHLSIAA-XYOKQWHBSA-N 0 0 330.380 4.215 50 30 EIEARN COc1cc(OC)c(NC2=CC(=O)C(=O)c3ccccc32)cc1Cl ZINC000013115246 211522882 /nfs/dbraw/zinc/52/28/82/211522882.db2.gz FMRWMOBZGCXGAH-DEDYPNTBSA-N 0 0 343.766 4.116 50 30 EIEARN N#Cc1ccccc1OCC(=O)Nc1ccccc1-c1cccs1 ZINC000012884736 211475282 /nfs/dbraw/zinc/47/52/82/211475282.db2.gz UJLRGKOPIOYVQU-UHFFFAOYSA-N 0 0 334.400 4.304 50 30 EIEARN CC(=O)Nc1ccc(NCc2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000012546196 211406861 /nfs/dbraw/zinc/40/68/61/211406861.db2.gz OPWSPFGWUAUQCQ-UHFFFAOYSA-N 0 0 333.313 4.148 50 30 EIEARN COc1ccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1 ZINC000012032525 211281086 /nfs/dbraw/zinc/28/10/86/211281086.db2.gz RABJXHSNTXLFTO-BOPFTXTBSA-N 0 0 338.432 4.204 50 30 EIEARN Cn1c2ccc3ccccc3c2s/c1=N/C(=O)c1ccc(C#N)cc1 ZINC000011852842 211259406 /nfs/dbraw/zinc/25/94/06/211259406.db2.gz MCSKDKUETXESMD-LSDHQDQOSA-N 0 0 343.411 4.006 50 30 EIEARN COc1ccc(OC)c([C@H]2CCCN2Cc2cc(C#N)ccc2F)c1 ZINC000011436422 211217142 /nfs/dbraw/zinc/21/71/42/211217142.db2.gz CIZQFEFSZJSMQS-LJQANCHMSA-N 0 0 340.398 4.052 50 30 EIEARN CCOc1ccc2[nH]c(SCc3ccc(C#N)cc3F)nc2c1 ZINC000009966887 211137760 /nfs/dbraw/zinc/13/77/60/211137760.db2.gz BKLUPFLKWSMJCO-UHFFFAOYSA-N 0 0 327.384 4.265 50 30 EIEARN C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4cccc(C#N)c4)cc3c2C1 ZINC000009856072 211128172 /nfs/dbraw/zinc/12/81/72/211128172.db2.gz YLEXRKUBAQWCIF-ZDUSSCGKSA-N 0 0 329.403 4.417 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1cccs1 ZINC000009576722 211103862 /nfs/dbraw/zinc/10/38/62/211103862.db2.gz FJOOJQWJVYTDCX-QFBILLFUSA-N 0 0 340.444 4.376 50 30 EIEARN N#CCc1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000009499270 211091807 /nfs/dbraw/zinc/09/18/07/211091807.db2.gz ATLKKCWJSGWQOK-UHFFFAOYSA-N 0 0 340.382 4.236 50 30 EIEARN C[C@H](C#N)Sc1nnc(Nc2cccc(Br)c2)s1 ZINC000009368945 211077851 /nfs/dbraw/zinc/07/78/51/211077851.db2.gz BBYFGRBWPGHGPS-SSDOTTSWSA-N 0 0 341.259 4.048 50 30 EIEARN CC(=O)N1c2ccccc2N=C2C[C@H](C)CC(=O)C2[C@H]1c1ccccc1 ZINC000009320830 211067942 /nfs/dbraw/zinc/06/79/42/211067942.db2.gz FQLMAIUTXHMSQM-RCDICMHDSA-N 0 0 346.430 4.459 50 30 EIEARN C1C2CC3CC1CC(c1nnc(NC4=NCCCCC4)s1)(C2)C3 ZINC000007159900 210764698 /nfs/dbraw/zinc/76/46/98/210764698.db2.gz NFLIXPAZCJFKAG-UHFFFAOYSA-N 0 0 330.501 4.200 50 30 EIEARN S=C1N=NC(c2ccccc2Cl)N1N=CC=Cc1ccccc1 ZINC000006192674 210599087 /nfs/dbraw/zinc/59/90/87/210599087.db2.gz PGSJUNMVZWHMJQ-YKIVCEQRSA-N 0 0 340.839 4.435 50 30 EIEARN COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(OC(F)F)cc1)C2 ZINC000005720276 210523330 /nfs/dbraw/zinc/52/33/30/210523330.db2.gz HBVJZZJWOXMQBO-QPEQYQDCSA-N 0 0 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C=C(C)CN(CC)C(=O)CN[C@H](C)c1ccc(Cl)cc1Cl ZINC000096971572 258011870 /nfs/dbraw/zinc/01/18/70/258011870.db2.gz HXYHMEFSDZLSEF-GFCCVEGCSA-N 0 0 329.271 4.069 50 30 EIEARN C#C[C@]1(O)CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3CC[C@@]2(C)C1 ZINC000253617472 258014726 /nfs/dbraw/zinc/01/47/26/258014726.db2.gz OIDVIXDTUUEECQ-BGECACFLSA-N 0 0 328.496 4.353 50 30 EIEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(C)cc(C)c1 ZINC000007759907 258017698 /nfs/dbraw/zinc/01/76/98/258017698.db2.gz JTLVJVDRFNKSKT-UHFFFAOYSA-N 0 0 347.418 4.182 50 30 EIEARN O=C1CCCC2=C1[C@@H](c1ccsc1)CC(=O)N2c1ccccc1F ZINC000001079510 258048943 /nfs/dbraw/zinc/04/89/43/258048943.db2.gz RYTIKKALJORDDL-CYBMUJFWSA-N 0 0 341.407 4.415 50 30 EIEARN N#Cc1cn(CC(=O)Nc2cccc(Cl)c2Cl)c2ccccc12 ZINC000004091455 258050850 /nfs/dbraw/zinc/05/08/50/258050850.db2.gz MBHXABZAPUIOEK-UHFFFAOYSA-N 0 0 344.201 4.458 50 30 EIEARN COc1ccc(CNC(=S)NCc2ccc(OC(C)C)cc2)cc1 ZINC000008829741 258053868 /nfs/dbraw/zinc/05/38/68/258053868.db2.gz 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N=C(NOC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1Cl ZINC000005065588 526810179 /nfs/dbraw/zinc/81/01/79/526810179.db2.gz IZJRQUNWRKBXKF-UHFFFAOYSA-N 0 0 343.597 4.124 50 30 EIEARN O=c1[nH]c(Cl)c(C=NN(Cc2ccccc2)c2ccccc2)s1 ZINC000004350381 527440427 /nfs/dbraw/zinc/44/04/27/527440427.db2.gz UQPMFCXGMKBVPL-YBFXNURJSA-N 0 0 343.839 4.131 50 30 EIEARN Fc1ccc(NC(=S)N/N=C/c2ccc(Cl)cc2Cl)cc1 ZINC000001695897 563404257 /nfs/dbraw/zinc/40/42/57/563404257.db2.gz AYEKRVMICSBUMB-QGMBQPNBSA-N 0 0 342.226 4.453 50 30 EIEARN CCCCCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1C#N ZINC000002085423 563421861 /nfs/dbraw/zinc/42/18/61/563421861.db2.gz SADZDATYJDPLKZ-UHFFFAOYSA-N 0 0 336.457 4.404 50 30 EIEARN O=C(Nc1ccc(/N=C/c2ccccc2O)cc1)c1ccccc1O ZINC000000072678 563215794 /nfs/dbraw/zinc/21/57/94/563215794.db2.gz OSVAVBWOKHPJJG-FYJGNVAPSA-N 0 0 332.359 4.101 50 30 EIEARN C(=N/c1nc2c(s1)CCc1ccccc1-2)\c1ccc2c(c1)OCO2 ZINC000000083174 563219300 /nfs/dbraw/zinc/21/93/00/563219300.db2.gz OKKNMODTFZZJRK-KEBDBYFISA-N 0 0 334.400 4.388 50 30 EIEARN O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1N2 ZINC000000106568 563227837 /nfs/dbraw/zinc/22/78/37/563227837.db2.gz JEDFRJDMGGZTKD-LJQANCHMSA-N 0 0 335.363 4.181 50 30 EIEARN Cc1ccc(NC(=S)[C@H](C#N)C(=O)Nc2ccccc2C)c(C)c1 ZINC000000143789 563243344 /nfs/dbraw/zinc/24/33/44/563243344.db2.gz ZLJSJLXVBDBDCB-OAHLLOKOSA-N 0 0 337.448 4.130 50 30 EIEARN COc1ccc2ccccc2c1/C=N/NC(=S)Nc1ccc(C)cc1 ZINC000000256884 563267467 /nfs/dbraw/zinc/26/74/67/563267467.db2.gz QKOHQHMVPUHAIX-FYJGNVAPSA-N 0 0 349.459 4.477 50 30 EIEARN O=[N+]([O-])c1cc2c(cc1/C=N/c1cc(Cl)cc(Cl)c1)OCO2 ZINC000000297580 563274896 /nfs/dbraw/zinc/27/48/96/563274896.db2.gz WJLOYZSMOCTUTM-UBKPWBPPSA-N 0 0 339.134 4.381 50 30 EIEARN CC1(C)CC(=O)C(=NNc2c(Cl)cc(Cl)cc2Cl)C(=O)C1 ZINC000000351324 563289479 /nfs/dbraw/zinc/28/94/79/563289479.db2.gz ADXMFSZNQRAXBQ-UHFFFAOYSA-N 0 0 347.629 4.373 50 30 EIEARN CC1=Cc2ccccc2[C@]2(C#N)C(=S)N(c3ccc(F)cc3)C(=O)N12 ZINC000000478171 563335381 /nfs/dbraw/zinc/33/53/81/563335381.db2.gz IIALXSDNGRQPII-LJQANCHMSA-N 0 0 349.390 4.189 50 30 EIEARN Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1ccccc1 ZINC000000573905 563350741 /nfs/dbraw/zinc/35/07/41/563350741.db2.gz UTCDYVXGOQAHGW-KGENOOAVSA-N 0 0 348.475 4.415 50 30 EIEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2cccs2)cc1 ZINC000001244869 563381247 /nfs/dbraw/zinc/38/12/47/563381247.db2.gz VDFOXRYEIZNRLG-WOJGMQOQSA-N 0 0 342.493 4.475 50 30 EIEARN C=CCNC(=O)Nc1ccc(NC(=O)c2sccc2SC)cc1 ZINC000071884534 563384640 /nfs/dbraw/zinc/38/46/40/563384640.db2.gz HKZVQIOSQCYYJJ-UHFFFAOYSA-N 0 0 347.465 4.030 50 30 EIEARN CCSC1=N[C@@H](c2ccc(C)cc2)C2=C(N1)c1ccccc1C2=O ZINC000001406959 563388152 /nfs/dbraw/zinc/38/81/52/563388152.db2.gz IYYIYOJUKRZBBK-KRWDZBQOSA-N 0 0 334.444 4.356 50 30 EIEARN CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(Cl)cc1 ZINC000002060945 563420327 /nfs/dbraw/zinc/42/03/27/563420327.db2.gz WJNLCANDYKZMSD-MRXNPFEDSA-N 0 0 335.831 4.205 50 30 EIEARN COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC ZINC000005210875 563522987 /nfs/dbraw/zinc/52/29/87/563522987.db2.gz MQZBPKNMJYCJJA-YCRREMRBSA-N 0 0 347.208 4.362 50 30 EIEARN CSc1nsc(S/C=C2\C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)n1 ZINC000005305138 563526084 /nfs/dbraw/zinc/52/60/84/563526084.db2.gz WDQICADOAFQWTI-BONMIVMSSA-N 0 0 326.512 4.261 50 30 EIEARN CC(=O)N(c1nc(COc2ccc(C#N)cc2)cs1)c1ccccc1 ZINC000010562593 563553935 /nfs/dbraw/zinc/55/39/35/563553935.db2.gz UVRYACXWKFQGTN-UHFFFAOYSA-N 0 0 349.415 4.278 50 30 EIEARN C=CC[C@]1(C#N)C(=S)NC(C)=C(C(C)=O)[C@H]1c1ccc(Cl)cc1 ZINC000006692777 563578268 /nfs/dbraw/zinc/57/82/68/563578268.db2.gz RAACWZDSRFHLJL-SJLPKXTDSA-N 0 0 344.867 4.303 50 30 EIEARN Cc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000006819551 563587479 /nfs/dbraw/zinc/58/74/79/563587479.db2.gz VCDKESGYAWSRIZ-DZGCQCFKSA-N 0 0 337.444 4.061 50 30 EIEARN CSc1cccc(/N=C2\S/C(=C/c3cccnc3)C(=O)N2C)c1 ZINC000013285910 563694240 /nfs/dbraw/zinc/69/42/40/563694240.db2.gz PCWPAKLZGYLNGR-NGOKJDCPSA-N 0 0 341.461 4.037 50 30 EIEARN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)ccc1F ZINC000032796983 563738051 /nfs/dbraw/zinc/73/80/51/563738051.db2.gz HILQTDNMILUOAM-UHFFFAOYSA-N 0 0 330.790 4.403 50 30 EIEARN COc1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc1Cl ZINC000015012467 563772198 /nfs/dbraw/zinc/77/21/98/563772198.db2.gz UVVJRRHISKYNPQ-XNTDXEJSSA-N 0 0 344.823 4.240 50 30 EIEARN N#CC1(NC(=O)CNc2cc(Cl)cc(Cl)c2)CCCCCC1 ZINC000032906650 563792986 /nfs/dbraw/zinc/79/29/86/563792986.db2.gz RNRKRUVGYHNUNR-UHFFFAOYSA-N 0 0 340.254 4.138 50 30 EIEARN C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000072271992 563897626 /nfs/dbraw/zinc/89/76/26/563897626.db2.gz HMJWBPMHCGRDJN-UHFFFAOYSA-N 0 0 347.439 4.063 50 30 EIEARN N#Cc1ccc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1 ZINC000032975252 563920511 /nfs/dbraw/zinc/92/05/11/563920511.db2.gz XMSJTAPUMJNTQP-UHFFFAOYSA-N 0 0 330.391 4.266 50 30 EIEARN Cc1noc(C)c1CC(=O)Nc1n[nH]c(-c2cccc3ccccc32)n1 ZINC000058225705 563940342 /nfs/dbraw/zinc/94/03/42/563940342.db2.gz XVLZRDLVYPMWDL-UHFFFAOYSA-N 0 0 347.378 4.060 50 30 EIEARN CCOc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OCC ZINC000000030311 563967535 /nfs/dbraw/zinc/96/75/35/563967535.db2.gz NRLOPQFPDTZMFV-UHFFFAOYSA-N 0 0 344.798 4.261 50 30 biogenic,in-vitro EIEARN C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000158274044 563974816 /nfs/dbraw/zinc/97/48/16/563974816.db2.gz HXMMJGIMTCOROX-ILWTVLBZSA-N 0 0 330.424 4.039 50 30 biogenic EIEARN Cc1ccc(-c2nc(CC(=O)Nc3ccc(C#N)cc3)cs2)cc1 ZINC000014134664 563983269 /nfs/dbraw/zinc/98/32/69/563983269.db2.gz KGOGJRCJETYQMO-UHFFFAOYSA-N 0 0 333.416 4.171 50 30 EIEARN O=C(Nc1ccc2[nH]cnc2c1)c1cnc(-c2ccccc2F)s1 ZINC000328591574 563984223 /nfs/dbraw/zinc/98/42/23/563984223.db2.gz PNJPQWHUDWPXLZ-UHFFFAOYSA-N 0 0 338.367 4.462 50 30 EIEARN N#Cc1ccsc1NC(=O)c1cc(Br)ccc1Cl ZINC000014626664 563986259 /nfs/dbraw/zinc/98/62/59/563986259.db2.gz QVASDDLNYKXTHS-UHFFFAOYSA-N 0 0 341.617 4.288 50 30 EIEARN C=CC[C@H](c1cc(Cl)ccc1N)S(=O)(=O)c1ccc(C)cc1 ZINC000000116102 563986752 /nfs/dbraw/zinc/98/67/52/563986752.db2.gz BMTKRHWRTWVXOZ-QGZVFWFLSA-N 0 0 335.856 4.322 50 30 EIEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000000252260 563989501 /nfs/dbraw/zinc/98/95/01/563989501.db2.gz ISCBKNIWSFQOJT-QGZVFWFLSA-N 0 0 345.446 4.360 50 30 EIEARN CC(=O)Nc1cccc(/N=C/c2cc(Br)cc(C)c2O)c1 ZINC000000259732 563989601 /nfs/dbraw/zinc/98/96/01/563989601.db2.gz UNLHGTOIBLXZJR-GIJQJNRQSA-N 0 0 347.212 4.172 50 30 EIEARN CC(C)CO[C@@H](C)c1noc(CSc2cccc(F)c2C#N)n1 ZINC000408518344 563993052 /nfs/dbraw/zinc/99/30/52/563993052.db2.gz BPMUIPVDLWEVQJ-NSHDSACASA-N 0 0 335.404 4.106 50 30 EIEARN N#Cc1ccc(OCC(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000005108487 563994350 /nfs/dbraw/zinc/99/43/50/563994350.db2.gz UJYPQGRFAABRKM-UHFFFAOYSA-N 0 0 342.398 4.167 50 30 EIEARN CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CCC3)cc1 ZINC000000107396 563996318 /nfs/dbraw/zinc/99/63/18/563996318.db2.gz SPFWZALESYYYBI-OAQYLSRUSA-N 0 0 333.435 4.338 50 30 EIEARN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OC ZINC000005165243 563997972 /nfs/dbraw/zinc/99/79/72/563997972.db2.gz CIAVJUFAYTYXFG-WOJGMQOQSA-N 0 0 327.409 4.150 50 30 EIEARN Cc1ccc2nc(SCC(=O)OC3CCCCC3)c(C#N)cc2c1 ZINC000000422243 563998517 /nfs/dbraw/zinc/99/85/17/563998517.db2.gz OMRIENFRTFGHNE-UHFFFAOYSA-N 0 0 340.448 4.383 50 30 EIEARN COc1ccc2ccccc2c1/C=N/NC(=S)Nc1ccccc1 ZINC000005237221 564001438 /nfs/dbraw/zinc/00/14/38/564001438.db2.gz CZZYWEAMCUWZMI-DEDYPNTBSA-N 0 0 335.432 4.169 50 30 EIEARN Cc1ccc(CC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c(C)c1 ZINC000005267983 564001828 /nfs/dbraw/zinc/00/18/28/564001828.db2.gz HZAJYVWMSLVTRC-UHFFFAOYSA-N 0 0 347.443 4.480 50 30 EIEARN O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/C=C/c1ccco1 ZINC000005376742 564003241 /nfs/dbraw/zinc/00/32/41/564003241.db2.gz HKIGXRZMVOFIEQ-GSPDUGTFSA-N 0 0 330.796 4.381 50 30 EIEARN C=CCN1C(=S)N=NC1c1csc(-c2ccc(Cl)cc2)n1 ZINC000005624821 564006653 /nfs/dbraw/zinc/00/66/53/564006653.db2.gz HKYVJMARAHRXGA-UHFFFAOYSA-N 0 0 334.857 4.197 50 30 aggregator EIEARN Cn1c(SCCCC#N)nc2scc(-c3cccs3)c2c1=O ZINC000008734695 564007103 /nfs/dbraw/zinc/00/71/03/564007103.db2.gz WVINTXAIQZFYDA-UHFFFAOYSA-N 0 0 347.490 4.119 50 30 EIEARN N#C[C@@]1(c2nc3ccccc3s2)Cc2ccccc2N2CCC[C@@H]21 ZINC000005660265 564007317 /nfs/dbraw/zinc/00/73/17/564007317.db2.gz ZAVKEDXRHDPPNB-QUCCMNQESA-N 0 0 331.444 4.283 50 30 EIEARN CCCCCCCNC(=O)Cc1ncc(C(F)(F)F)cc1Cl ZINC000100925248 564017066 /nfs/dbraw/zinc/01/70/66/564017066.db2.gz LWVUXJGJBIHNAJ-UHFFFAOYSA-N 0 0 336.785 4.383 50 30 EIEARN N#CC[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000000494573 564017866 /nfs/dbraw/zinc/01/78/66/564017866.db2.gz KUIFQDSTYGMSDZ-HNNXBMFYSA-N 0 0 330.727 4.060 50 30 EIEARN CCOC(=O)c1c(C)c(C)sc1NC=Nc1ccccc1OC ZINC000018192615 564018631 /nfs/dbraw/zinc/01/86/31/564018631.db2.gz UPQXZIGHEVSPQC-UHFFFAOYSA-N 0 0 332.425 4.322 50 30 EIEARN COc1cc2c(c(OC)c1)[C@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000018200044 564018758 /nfs/dbraw/zinc/01/87/58/564018758.db2.gz ALBWOZKSJQVSCD-LJQANCHMSA-N 0 0 341.432 4.330 50 30 EIEARN N#Cc1c(NC(=O)c2ccccc2Br)sc2c1CCC2 ZINC000000501585 564019043 /nfs/dbraw/zinc/01/90/43/564019043.db2.gz XPZUOIDOIVSNPN-UHFFFAOYSA-N 0 0 347.237 4.123 50 30 EIEARN O=C1C=CC2=N[C@]3(c4ccccc4)CCC=C(c4ccccc4)N3C2=C1 ZINC000000506779 564019549 /nfs/dbraw/zinc/01/95/49/564019549.db2.gz FUFIYGWTSAIFHZ-HSZRJFAPSA-N 0 0 338.410 4.454 50 30 EIEARN COc1ccc(Cl)cc1NC=CC(=O)c1ccc(OC)c(OC)c1 ZINC000102965863 564021010 /nfs/dbraw/zinc/02/10/10/564021010.db2.gz NOAVZPQLDMYLAI-HJWRWDBZSA-N 0 0 347.798 4.174 50 30 EIEARN CCN(c1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1)C(C)C ZINC000103396420 564022360 /nfs/dbraw/zinc/02/23/60/564022360.db2.gz CKWZYNSGMJAJJP-UHFFFAOYSA-N 0 0 328.456 4.175 50 30 EIEARN Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1cccc([N+](=O)[O-])c1 ZINC000000553217 564022949 /nfs/dbraw/zinc/02/29/49/564022949.db2.gz NYJVJIHOMRTPMX-YBFXNURJSA-N 0 0 340.770 4.493 50 30 EIEARN O=C(/C=C\c1ccncc1)c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000108883087 564028524 /nfs/dbraw/zinc/02/85/24/564028524.db2.gz XLPILTJEDAWGFX-YHYXMXQVSA-N 0 0 346.361 4.369 50 30 EIEARN C=CCn1c2ccc(NC(=O)Nc3cccc(C)c3C)cc2oc1=O ZINC000046010559 564029149 /nfs/dbraw/zinc/02/91/49/564029149.db2.gz SUWPEXMVXZECPT-UHFFFAOYSA-N 0 0 337.379 4.041 50 30 EIEARN O=C(/C=C/c1csc(-c2ncccn2)n1)c1ccc(Cl)cc1 ZINC000048325601 564030974 /nfs/dbraw/zinc/03/09/74/564030974.db2.gz IYCXFLUBMMUUCU-VOTSOKGWSA-N 0 0 327.796 4.150 50 30 EIEARN N#Cc1cc(-c2nc(-c3cccc(F)c3)no2)ccc1N1CCCC1 ZINC000115179154 564033046 /nfs/dbraw/zinc/03/30/46/564033046.db2.gz GCXMEFLDYQMXAO-UHFFFAOYSA-N 0 0 334.354 4.015 50 30 EIEARN CCC[C@H]1CCc2c(C#N)c(NC(=O)c3cccnc3)sc2C1 ZINC000001053427 564054210 /nfs/dbraw/zinc/05/42/10/564054210.db2.gz UXDNCOJDPCRQCA-LBPRGKRZSA-N 0 0 325.437 4.172 50 30 EIEARN CCC[C@@H]1CCc2c(C#N)c(NC(=O)c3cccnc3)sc2C1 ZINC000001053429 564054213 /nfs/dbraw/zinc/05/42/13/564054213.db2.gz UXDNCOJDPCRQCA-GFCCVEGCSA-N 0 0 325.437 4.172 50 30 EIEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]12C ZINC000257357404 564055945 /nfs/dbraw/zinc/05/59/45/564055945.db2.gz NUSUWEUUEXDJDY-ZXBCWOKOSA-N 0 0 342.479 4.149 50 30 EIEARN CC(=O)N[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257358204 564055964 /nfs/dbraw/zinc/05/59/64/564055964.db2.gz SDLZQPJEYFVSOQ-OWQNAKTJSA-N 0 0 329.484 4.023 50 30 EIEARN COc1ccc(-c2csc(N=NC(C)c3ccco3)n2)c(OC)c1 ZINC000261491576 564056143 /nfs/dbraw/zinc/05/61/43/564056143.db2.gz ANVMBQOPBSBTPX-YBFXNURJSA-N 0 0 343.408 4.256 50 30 EIEARN N#Cc1ccccc1OCC(=O)N(c1ccccc1)C1CCCCC1 ZINC000005830100 564056554 /nfs/dbraw/zinc/05/65/54/564056554.db2.gz MGPPLCXGNNESNS-UHFFFAOYSA-N 0 0 334.419 4.303 50 30 EIEARN COc1ccccc1C(=O)Nc1sc2c(c1C#N)C[C@H](C)CC2 ZINC000005919968 564056994 /nfs/dbraw/zinc/05/69/94/564056994.db2.gz ICSDFDGDWNJNLJ-LLVKDONJSA-N 0 0 326.421 4.005 50 30 EIEARN COC(=O)c1ccc(CC(C#N)(c2ccccc2)c2ccccc2)o1 ZINC000003361855 564059502 /nfs/dbraw/zinc/05/95/02/564059502.db2.gz VANALCXPURNPCQ-UHFFFAOYSA-N 0 0 331.371 4.119 50 30 EIEARN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC=CC[C@]34C)[C@@H]1CC/C2=N/NC(N)=S ZINC000004026815 564061247 /nfs/dbraw/zinc/06/12/47/564061247.db2.gz RSUWOSICFQPDCA-XFBIQLDOSA-N 0 0 345.556 4.384 50 30 biogenic EIEARN Cc1sc(NC(=O)c2cc(C)nc3cc(F)ccc32)c(C#N)c1C ZINC000031876071 564061272 /nfs/dbraw/zinc/06/12/72/564061272.db2.gz MFMVLDXPWRJCDO-UHFFFAOYSA-N 0 0 339.395 4.485 50 30 EIEARN N#Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccco2)sc2c1CCCCC2 ZINC000084432217 564068146 /nfs/dbraw/zinc/06/81/46/564068146.db2.gz FRYMNIFURUEIGC-CHWSQXEVSA-N 0 0 326.421 4.224 50 30 EIEARN N#Cc1ccsc1NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000084502131 564068350 /nfs/dbraw/zinc/06/83/50/564068350.db2.gz NXPCCEHZZJGEPA-NWDGAFQWSA-N 0 0 336.338 4.381 50 30 EIEARN C[C@@H](NC(=O)N(CCC(F)(F)F)C1CCC1)c1ccc(C#N)cc1 ZINC000084636400 564069251 /nfs/dbraw/zinc/06/92/51/564069251.db2.gz ASPOYWBGTCKZOQ-GFCCVEGCSA-N 0 0 339.361 4.136 50 30 EIEARN Cc1ccc(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 ZINC000012775563 564069329 /nfs/dbraw/zinc/06/93/29/564069329.db2.gz PMXKJQAGHOJQIS-UHFFFAOYSA-N 0 0 347.443 4.095 50 30 EIEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccc(C)cc1 ZINC000007720206 564070893 /nfs/dbraw/zinc/07/08/93/564070893.db2.gz VMCHYKNEPKMMJJ-UHFFFAOYSA-N 0 0 347.418 4.182 50 30 EIEARN C=CCN(CC=C)C(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000016603896 564074444 /nfs/dbraw/zinc/07/44/44/564074444.db2.gz OODGJLLZEOFFMY-UHFFFAOYSA-N 0 0 334.778 4.257 50 30 EIEARN C=C(C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000000572341 564074616 /nfs/dbraw/zinc/07/46/16/564074616.db2.gz NDSYDIWHFPPIDC-INIZCTEOSA-N 0 0 331.419 4.133 50 30 EIEARN C=CCNC(=S)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000002148391 564074829 /nfs/dbraw/zinc/07/48/29/564074829.db2.gz IOUCXMNHBMYDBQ-MRXNPFEDSA-N 0 0 348.924 4.410 50 30 EIEARN C[C@@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])=C2CCCCC21 ZINC000043762016 564076232 /nfs/dbraw/zinc/07/62/32/564076232.db2.gz JQOSUABFPRPIET-FGDDNGJNSA-N 0 0 330.344 4.181 50 30 EIEARN N#Cc1c(COc2ccccc2Br)cn2ccccc12 ZINC000012870766 564076374 /nfs/dbraw/zinc/07/63/74/564076374.db2.gz QQRFEWGXSQKIMG-UHFFFAOYSA-N 0 0 327.181 4.152 50 30 EIEARN CC[C@H](NC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccc(C)cc1 ZINC000012905716 564077822 /nfs/dbraw/zinc/07/78/22/564077822.db2.gz MOISDUWOCHHZOB-SFHVURJKSA-N 0 0 347.418 4.440 50 30 EIEARN N#C[C@H](OC(=O)c1cc2ccccc2n1Cc1ccccc1F)C1CC1 ZINC000075092207 564079905 /nfs/dbraw/zinc/07/99/05/564079905.db2.gz PONUTSWUAWNERT-FQEVSTJZSA-N 0 0 348.377 4.288 50 30 EIEARN C[C@H](Cc1ccccc1)Nc1ncnc2c(C#N)c3n(c21)CCCCC3 ZINC000075271775 564081343 /nfs/dbraw/zinc/08/13/43/564081343.db2.gz WMOMBVBGUVAFLL-OAHLLOKOSA-N 0 0 345.450 4.072 50 30 EIEARN N#Cc1cccc(NC(=O)c2ccc(COc3ccccc3)cc2)c1 ZINC000006287443 564083582 /nfs/dbraw/zinc/08/35/82/564083582.db2.gz ZBMXGTPBKHSKGM-UHFFFAOYSA-N 0 0 328.371 4.390 50 30 EIEARN N#CCC[C@@H](NC(=O)N1CCC(c2ccncc2)CC1)c1ccccc1 ZINC000190604212 564083834 /nfs/dbraw/zinc/08/38/34/564083834.db2.gz RUAIHQRNWGCUHP-HXUWFJFHSA-N 0 0 348.450 4.016 50 30 EIEARN COc1ccc([C@@H]2O[C@H]2C(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 ZINC000103463096 564085903 /nfs/dbraw/zinc/08/59/03/564085903.db2.gz NONMRNVMRORZLC-YBUCYZLGSA-N 0 0 349.430 4.016 50 30 EIEARN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C ZINC000252428652 564089393 /nfs/dbraw/zinc/08/93/93/564089393.db2.gz SDLIPEORADMQOU-SOXBMFEASA-N 0 0 326.436 4.002 50 30 EIEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CCC21OCCO1 ZINC000253369282 564089464 /nfs/dbraw/zinc/08/94/64/564089464.db2.gz AOYBIWCQSGSYJF-MDMHHNQBSA-N 0 0 328.452 4.037 50 30 EIEARN CCOC(=O)c1sc(NC(=O)c2ccccc2Cl)c(C#N)c1C ZINC000001965028 564090352 /nfs/dbraw/zinc/09/03/52/564090352.db2.gz JVJMZXHFROOVEV-UHFFFAOYSA-N 0 0 348.811 4.011 50 30 EIEARN CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000005763835 564090733 /nfs/dbraw/zinc/09/07/33/564090733.db2.gz FRQMUZJSZHZSGN-HBNHAYAOSA-N 0 0 344.495 4.084 50 30 biogenic,world EIEARN CCOc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc32)cc1 ZINC000064438635 564091333 /nfs/dbraw/zinc/09/13/33/564091333.db2.gz LAVZPWVKKLAPCP-UHFFFAOYSA-N 0 0 349.390 4.266 50 30 EIEARN CCOc1ccccc1C(=O)c1c(C)c(CCC#N)n2ccccc12 ZINC000006550072 564091912 /nfs/dbraw/zinc/09/19/12/564091912.db2.gz KZRXXYQAWMQWQD-UHFFFAOYSA-N 0 0 332.403 4.334 50 30 EIEARN Cc1cc(O)cc2c1C(=O)/C(=C/c1ccccc1Br)O2 ZINC000006662416 564095596 /nfs/dbraw/zinc/09/55/96/564095596.db2.gz CRUGYDLOVNYQDO-AUWJEWJLSA-N 0 0 331.165 4.079 50 30 EIEARN CCc1ccc([C@H](NC(=O)COc2ccc(C#N)cc2)C(C)C)cc1 ZINC000006789912 564097903 /nfs/dbraw/zinc/09/79/03/564097903.db2.gz BRYVRAINSRXBAM-OAQYLSRUSA-N 0 0 336.435 4.013 50 30 EIEARN N#Cc1c(Br)cccc1OC(C(F)(F)F)C(F)(F)F ZINC000169725836 564099189 /nfs/dbraw/zinc/09/91/89/564099189.db2.gz GDHHUXOOYKDGFD-UHFFFAOYSA-N 0 0 348.040 4.193 50 30 EIEARN CCCCc1ccc(NC(=O)CSc2ncccc2C#N)cc1 ZINC000007051592 564103789 /nfs/dbraw/zinc/10/37/89/564103789.db2.gz AOZDXDFULMGCJX-UHFFFAOYSA-N 0 0 325.437 4.027 50 30 EIEARN Cc1cccnc1NC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000065453435 564106061 /nfs/dbraw/zinc/10/60/61/564106061.db2.gz HVDMMRJGRAVFGG-CYBMUJFWSA-N 0 0 326.425 4.428 50 30 EIEARN N#Cc1ccc(NC(=O)c2ccccc2Cl)c(Br)c1 ZINC000065610986 564108333 /nfs/dbraw/zinc/10/83/33/564108333.db2.gz JXXCOWZOMDAKNC-UHFFFAOYSA-N 0 0 335.588 4.226 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccccc1 ZINC000170623397 564110435 /nfs/dbraw/zinc/11/04/35/564110435.db2.gz QPOUBOSLVZOEQM-AEFFLSMTSA-N 0 0 326.417 4.067 50 30 EIEARN C=C(C)CSc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1 ZINC000071794093 564111150 /nfs/dbraw/zinc/11/11/50/564111150.db2.gz TZTOSRGGKMLMSL-HUUCEWRRSA-N 0 0 346.500 4.070 50 30 EIEARN Cc1ccsc1C=NN1C(=S)N=NC1c1cccc(Cl)c1 ZINC000005982089 564112596 /nfs/dbraw/zinc/11/25/96/564112596.db2.gz BELITHLUNHNNNA-LZYBPNLTSA-N 0 0 334.857 4.139 50 30 EIEARN CC(=O)Nc1ccc(C(C)=NOCc2c(F)cccc2Cl)cc1 ZINC000252452862 564118555 /nfs/dbraw/zinc/11/85/55/564118555.db2.gz JBUAXJRFWUKEND-UHFFFAOYSA-N 0 0 334.778 4.378 50 30 EIEARN C=CCNC(=S)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000007662571 564121728 /nfs/dbraw/zinc/12/17/28/564121728.db2.gz GTEWGQCYUOLWNP-OAHLLOKOSA-N 0 0 341.505 4.011 50 30 EIEARN C#CCN(C(=O)c1cc2c(nc3sccn23)s1)C1CCCCC1 ZINC000065912194 564122226 /nfs/dbraw/zinc/12/22/26/564122226.db2.gz SWCCKUMPQYZDML-UHFFFAOYSA-N 0 0 343.477 4.019 50 30 EIEARN CC(=CN=Nc1nnc2c3cccc(C)c3[nH]c2n1)Cc1ccccc1 ZINC000252622840 564122947 /nfs/dbraw/zinc/12/29/47/564122947.db2.gz ODXMZFBZURHPMP-AJFIOWGASA-N 0 0 342.406 4.316 50 30 EIEARN C=C[C@@H](CCN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000252626859 564123364 /nfs/dbraw/zinc/12/33/64/564123364.db2.gz RHBSKIAGHCMHAJ-ZDUSSCGKSA-N 0 0 340.339 4.261 50 30 EIEARN N#Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000007884123 564124326 /nfs/dbraw/zinc/12/43/26/564124326.db2.gz MYLLAFMUVAFUHV-NRFANRHFSA-N 0 0 339.398 4.325 50 30 EIEARN C=CCn1c(SC)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000003069840 564125043 /nfs/dbraw/zinc/12/50/43/564125043.db2.gz RWHALEUKJHTRFQ-UHFFFAOYSA-N 0 0 328.462 4.341 50 30 EIEARN CSc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000002309897 564132137 /nfs/dbraw/zinc/13/21/37/564132137.db2.gz IHENSTWENJESEI-UHFFFAOYSA-N 0 0 335.244 4.180 50 30 EIEARN N#Cc1c(NC(=O)COc2ccccc2)sc2c1CCCCCC2 ZINC000000133344 564132883 /nfs/dbraw/zinc/13/28/83/564132883.db2.gz PXGMNSOYEVYGBQ-UHFFFAOYSA-N 0 0 340.448 4.296 50 30 EIEARN COc1ccc(-c2nc(C#N)c(NCc3ccc(Cl)cc3)o2)cc1 ZINC000000135162 564132886 /nfs/dbraw/zinc/13/28/86/564132886.db2.gz SJRUAVYJSATNDG-UHFFFAOYSA-N 0 0 339.782 4.487 50 30 EIEARN N#Cc1ccc(Oc2ccccc2N2C(=O)c3ccccc3C2=O)cc1 ZINC000000245315 564133050 /nfs/dbraw/zinc/13/30/50/564133050.db2.gz NKDSXFJTJMAZCC-UHFFFAOYSA-N 0 0 340.338 4.151 50 30 EIEARN N#Cc1ccc(/C=C/C(=O)Nc2ccccc2N2CCCCC2)cc1 ZINC000012533482 564135267 /nfs/dbraw/zinc/13/52/67/564135267.db2.gz HFLYIGIEUABZPC-OUKQBFOZSA-N 0 0 331.419 4.200 50 30 EIEARN COc1ccc([C@H]2CCCCCN2C(=O)c2cccc(C#N)c2)cc1 ZINC000012787960 564135537 /nfs/dbraw/zinc/13/55/37/564135537.db2.gz KCYHLPHIZLAEDH-HXUWFJFHSA-N 0 0 334.419 4.324 50 30 EIEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000012976219 564135776 /nfs/dbraw/zinc/13/57/76/564135776.db2.gz HOPGYDDTRWOLBI-ZDUSSCGKSA-N 0 0 349.415 4.088 50 30 EIEARN O=C(C[C@@H](c1ncc[nH]1)c1ccccc1)Nc1nc2ccccc2[nH]1 ZINC000328592651 564136776 /nfs/dbraw/zinc/13/67/76/564136776.db2.gz SBVZRPFLVBEIPJ-CQSZACIVSA-N 0 0 331.379 4.096 50 30 EIEARN C[C@H](C#N)CNC(=O)Nc1ccccc1SCc1ccsc1 ZINC000095410839 564139651 /nfs/dbraw/zinc/13/96/51/564139651.db2.gz DFBKEVFPSGVBPE-GFCCVEGCSA-N 0 0 331.466 4.322 50 30 EIEARN N#CC1(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)CCCC1 ZINC000095946846 564142265 /nfs/dbraw/zinc/14/22/65/564142265.db2.gz ITKHBIGMINZLJN-UHFFFAOYSA-N 0 0 343.430 4.256 50 30 EIEARN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)c1nccs1 ZINC000096416410 564147772 /nfs/dbraw/zinc/14/77/72/564147772.db2.gz JQUWHFMRWSOELE-UHFFFAOYSA-N 0 0 342.342 4.003 50 30 EIEARN CN(C(=O)c1ccc(NCc2ccc(C#N)o2)cc1)C1CCCCC1 ZINC000284346465 564148967 /nfs/dbraw/zinc/14/89/67/564148967.db2.gz MAKVUBWLMHCWKX-UHFFFAOYSA-N 0 0 337.423 4.168 50 30 EIEARN N#C[C@@H](C(=O)c1ccc(Cl)c(F)c1)c1ccc(C(F)(F)F)cn1 ZINC000161900607 564150670 /nfs/dbraw/zinc/15/06/70/564150670.db2.gz WPAFSMBQSHMEOG-SNVBAGLBSA-N 0 0 342.679 4.383 50 30 EIEARN N#Cc1ccc(COc2ncnc3c(Cl)cc(Cl)cc23)cc1 ZINC000002644407 564151758 /nfs/dbraw/zinc/15/17/58/564151758.db2.gz DDDPSWSWHVBHTL-UHFFFAOYSA-N 0 0 330.174 4.387 50 30 EIEARN C=C(C)Cn1c2ccccc2nc1[C@H](C)NC(=O)c1ccccc1OC ZINC000002721394 564152282 /nfs/dbraw/zinc/15/22/82/564152282.db2.gz AUMNYSPRNGZUBG-HNNXBMFYSA-N 0 0 349.434 4.112 50 30 EIEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cc(F)ccc3F)sc2C1 ZINC000002751962 564152474 /nfs/dbraw/zinc/15/24/74/564152474.db2.gz MRCZLWXIXDBWKV-VIFPVBQESA-N 0 0 332.375 4.275 50 30 EIEARN COc1ccc(/C=N/c2ccccc2C(=O)Nc2nccs2)cc1 ZINC000002801398 564152761 /nfs/dbraw/zinc/15/27/61/564152761.db2.gz WKULHYSUBMDHEC-UDWIEESQSA-N 0 0 337.404 4.155 50 30 EIEARN Cc1sc(NC(=O)COc2cc(C)ccc2Cl)c(C#N)c1C ZINC000002872808 564152880 /nfs/dbraw/zinc/15/28/80/564152880.db2.gz QIXOCFWYPKPEIP-UHFFFAOYSA-N 0 0 334.828 4.216 50 30 EIEARN COc1cccc(C[C@@H](C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000057523294 564154719 /nfs/dbraw/zinc/15/47/19/564154719.db2.gz ZMHHVDKGYJBXLO-ZDUSSCGKSA-N 0 0 348.324 4.035 50 30 EIEARN N#Cc1ccccc1CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000004186388 564161049 /nfs/dbraw/zinc/16/10/49/564161049.db2.gz DMDRNFFNJJSTSE-UHFFFAOYSA-N 0 0 332.432 4.309 50 30 EIEARN C=CCN(C(=O)c1c(C)noc1C)c1nc(-c2ccccc2)cs1 ZINC000008395072 564165113 /nfs/dbraw/zinc/16/51/13/564165113.db2.gz AHFAEGJNWWSDRM-UHFFFAOYSA-N 0 0 339.420 4.248 50 30 EIEARN CC[C@@H](C)n1c(SCC#N)nc2sc3c(c2c1=O)CCCCC3 ZINC000008621338 564166125 /nfs/dbraw/zinc/16/61/25/564166125.db2.gz PRAKTULAGQYMEB-LLVKDONJSA-N 0 0 347.509 4.314 50 30 EIEARN C[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1cccc(C#N)c1 ZINC000008706049 564166473 /nfs/dbraw/zinc/16/64/73/564166473.db2.gz RWKGBQCZZCVNPB-CYBMUJFWSA-N 0 0 333.416 4.226 50 30 EIEARN Cn1cc(CC(=O)Nc2ccccc2SCCC#N)c2ccccc21 ZINC000069808453 564172256 /nfs/dbraw/zinc/17/22/56/564172256.db2.gz ICAQRIUVSLMKMH-UHFFFAOYSA-N 0 0 349.459 4.365 50 30 EIEARN N#CCCCOc1cccnc1NC(=O)c1cc2ccccc2s1 ZINC000069870535 564172543 /nfs/dbraw/zinc/17/25/43/564172543.db2.gz HBPZSCHAIJCITI-UHFFFAOYSA-N 0 0 337.404 4.231 50 30 EIEARN O=C(/C=C/c1c[nH]nc1-c1ccccc1)c1cc2ccccc2oc1=O ZINC000071785151 564175295 /nfs/dbraw/zinc/17/52/95/564175295.db2.gz POTFULFYHZDBQT-ZHACJKMWSA-N 0 0 342.354 4.079 50 30 EIEARN O=C(/C=C\c1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000096766186 1022522879 /nfs/dbraw/zinc/52/28/79/1022522879.db2.gz LZMCBOJCNNDHPU-HJWRWDBZSA-N 0 0 332.153 4.253 50 30 EIEARN Cc1cc(C)c2c(c1)C(=NNC(=S)Nc1ccc(F)cc1)CCC2 ZINC000013143648 1031480116 /nfs/dbraw/zinc/48/01/16/1031480116.db2.gz GDBNSLWPOCNRLO-UHFFFAOYSA-N 0 0 341.455 4.470 50 30 EIEARN Cc1cc(C#N)nc(N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)n1 ZINC000521220082 1040377669 /nfs/dbraw/zinc/37/76/69/1040377669.db2.gz AXUJTDLUXDVLBS-JTQLQIEISA-N 0 0 333.222 4.087 50 30 EIEARN CCCCOc1ccc(C=NN=c2sc3ccccc3n2C)cc1 ZINC000606347221 1043067250 /nfs/dbraw/zinc/06/72/50/1043067250.db2.gz UZNGWCQFKVSFKR-UHFFFAOYSA-N 0 0 339.464 4.354 50 30 EIEARN Cc1ccc2c(c1)S/C(=C/c1ccc(-n3cncn3)c(C)c1)C2=O ZINC000606443254 1043067377 /nfs/dbraw/zinc/06/73/77/1043067377.db2.gz LGVSYEXMFLBYFY-GIJQJNRQSA-N 0 0 333.416 4.214 50 30 EIEARN N#CCCn1cc(/C=C\c2ccncn2)c(-c2ccc(Cl)cc2)n1 ZINC000606443798 1043068128 /nfs/dbraw/zinc/06/81/28/1043068128.db2.gz MEZRSAJKOJKZOO-DAXSKMNVSA-N 0 0 335.798 4.078 50 30 EIEARN O=C(C=Cc1ccc(F)cc1)c1ccc(NC2=NCCCS2)cc1 ZINC000033462738 1047303944 /nfs/dbraw/zinc/30/39/44/1047303944.db2.gz RNLPHSPTLBWPCS-WCIBSUBMSA-N 0 0 340.423 4.436 50 30 EIEARN COc1ccccc1C(=O)/C=C\c1cccc(OC)c1OC(F)F ZINC000033466984 1047315719 /nfs/dbraw/zinc/31/57/19/1047315719.db2.gz CFBWYJKNHUMJDV-KHPPLWFESA-N 0 0 334.318 4.201 50 30 EIEARN COc1cc(/C=C\C(=O)c2ccc(Cl)s2)cc(OC)c1OC ZINC000033473693 1047342447 /nfs/dbraw/zinc/34/24/47/1047342447.db2.gz UOVXDRKFONQFJN-PLNGDYQASA-N 0 0 338.812 4.323 50 30 EIEARN COc1ccc(C(=O)/C=C\c2cc3ccccc3nc2OC)cc1OC ZINC000222032920 1048057114 /nfs/dbraw/zinc/05/71/14/1048057114.db2.gz RZNYLWSXZUJEBV-NTMALXAHSA-N 0 0 349.386 4.157 50 30 EIEARN C#CCCC1(CCC(=O)N2CCC[C@]2(C)Cc2ccccc2F)N=N1 ZINC000952879914 1049678578 /nfs/dbraw/zinc/67/85/78/1049678578.db2.gz HYNKWSKTWJXVTO-LJQANCHMSA-N 0 0 341.430 4.105 50 30 EIEARN C#CCCC1(CCC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)N=N1 ZINC000952880917 1049681404 /nfs/dbraw/zinc/68/14/04/1049681404.db2.gz KMOQAPXAHDLUNR-GUDVDZBRSA-N 0 0 335.451 4.137 50 30 EIEARN C=C(C)COc1ccc(NC(=O)[C@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000952961608 1049681544 /nfs/dbraw/zinc/68/15/44/1049681544.db2.gz GEVIQKRCSILYQA-IBGZPJMESA-N 0 0 342.414 4.022 50 30 EIEARN C#CCCC1(CCC(=O)NC2(Cc3ccc(Cl)cc3)CCC2)N=N1 ZINC000952883437 1049681587 /nfs/dbraw/zinc/68/15/87/1049681587.db2.gz ZTWQJTAOGHOIGY-UHFFFAOYSA-N 0 0 343.858 4.277 50 30 EIEARN CN1N=C(c2ccc3c(c2)CCC3)CS/C1=N/Cc1ccccc1 ZINC000101487942 1053936910 /nfs/dbraw/zinc/93/69/10/1053936910.db2.gz FRBBOCJKOUKDKK-QZQOTICOSA-N 0 0 335.476 4.114 50 30 EIEARN COc1ccc(OC)c(C(=O)C=CNc2cc(F)ccc2Cl)c1 ZINC000051318565 214089316 /nfs/dbraw/zinc/08/93/16/214089316.db2.gz PWJVTGYBKRLUAR-BQYQJAHWSA-N 0 0 335.762 4.305 50 30 EIEARN Cc1nc2ccccc2nc1N=NCc1c(O)ccc2ccccc21 ZINC000004729154 210262304 /nfs/dbraw/zinc/26/23/04/210262304.db2.gz MVTOSJYVDSSZJB-CIAFOILYSA-N 0 0 328.375 4.243 50 30 EIEARN O=C(c1ccncc1Cl)N(CC#Cc1ccccc1)C1CCCC1 ZINC000055167046 214282300 /nfs/dbraw/zinc/28/23/00/214282300.db2.gz KYOXIYRYXWESOL-UHFFFAOYSA-N 0 0 338.838 4.172 50 30 EIEARN C=CCS[C@@H](C)C(=O)Nc1cc(C)ccc1NC(=O)CCCC ZINC000055387451 214315368 /nfs/dbraw/zinc/31/53/68/214315368.db2.gz WCNYTBHKHPRPES-AWEZNQCLSA-N 0 0 334.485 4.370 50 30 EIEARN C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1COC ZINC000056606221 214380209 /nfs/dbraw/zinc/38/02/09/214380209.db2.gz HJQHLPGSDKBQSY-UHFFFAOYSA-N 0 0 328.387 4.192 50 30 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N#Cc1cccc(NC(=O)CNc2ccccc2-c2ccccc2)c1 ZINC000011618669 211226570 /nfs/dbraw/zinc/22/65/70/211226570.db2.gz PDINLNZDKOWWLE-UHFFFAOYSA-N 0 0 327.387 4.276 50 30 EIEARN C=CCOc1cccc(-c2nn3c(nnc3-c3cccs3)s2)c1 ZINC000009615182 211109444 /nfs/dbraw/zinc/10/94/44/211109444.db2.gz SHZPAHZEDFSUCX-UHFFFAOYSA-N 0 0 340.433 4.146 50 30 EIEARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2ccc(C#N)cc2Cl)c1C ZINC000009512992 211095945 /nfs/dbraw/zinc/09/59/45/211095945.db2.gz OLNRCDXPYMSDHC-LBPRGKRZSA-N 0 0 344.798 4.009 50 30 EIEARN Cc1cc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2ccccc12 ZINC000009470588 211087463 /nfs/dbraw/zinc/08/74/63/211087463.db2.gz OOHYIRVNNIZAHS-LIRRHRJNSA-N 0 0 341.480 4.078 50 30 EIEARN N#Cc1ccc(Oc2ccc3nnc(-c4ccccc4Cl)n3n2)cc1 ZINC000009303840 211063526 /nfs/dbraw/zinc/06/35/26/211063526.db2.gz FXGJAMYLBXCUPR-UHFFFAOYSA-N 0 0 347.765 4.109 50 30 EIEARN CCn1c(SCCCC#N)nc2scc(-c3ccco3)c2c1=O ZINC000008981267 211025631 /nfs/dbraw/zinc/02/56/31/211025631.db2.gz JEAPPMMKTRJCNE-UHFFFAOYSA-N 0 0 345.449 4.134 50 30 EIEARN Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4CCCC4)o3)o2)c1 ZINC000008844536 211010970 /nfs/dbraw/zinc/01/09/70/211010970.db2.gz DSTQNWDMTDOEBN-UHFFFAOYSA-N 0 0 349.390 4.294 50 30 EIEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(NC4CC4)o3)o2)cc1 ZINC000008844493 211010581 /nfs/dbraw/zinc/01/05/81/211010581.db2.gz FKJBRLXUBFNXCZ-UHFFFAOYSA-N 0 0 335.363 4.268 50 30 EIEARN Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccc(C#N)cc2)n1 ZINC000008843576 211009627 /nfs/dbraw/zinc/00/96/27/211009627.db2.gz FPZSJKFCHIHUDF-UHFFFAOYSA-N 0 0 333.338 4.444 50 30 EIEARN CCCCC1CCC(c2nc(C#N)c(N3CCN(CC)CC3)o2)CC1 ZINC000008869505 211013486 /nfs/dbraw/zinc/01/34/86/211013486.db2.gz PDVOUVODVJPLKN-UHFFFAOYSA-N 0 0 344.503 4.152 50 30 EIEARN N#Cc1ccc(-c2ccc(OC(=O)c3ccc(Cl)nc3)cc2)cc1 ZINC000007779107 210845146 /nfs/dbraw/zinc/84/51/46/210845146.db2.gz KBXMZDFZTSSJOT-UHFFFAOYSA-N 0 0 334.762 4.493 50 30 EIEARN O=C(/C(Br)=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000006863972 210730793 /nfs/dbraw/zinc/73/07/93/210730793.db2.gz BJQYMSRFVUZZMB-UVTDQMKNSA-N 0 0 332.153 4.214 50 30 EIEARN Cc1ccc(C[C@@H](C#N)Sc2nc3ccccc3n2CCC#N)cc1 ZINC000006589000 210659883 /nfs/dbraw/zinc/65/98/83/210659883.db2.gz UFORPTQSLCMRDX-KRWDZBQOSA-N 0 0 346.459 4.485 50 30 EIEARN N#Cc1ccc(COc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000006231810 210604016 /nfs/dbraw/zinc/60/40/16/210604016.db2.gz VFIDCIZVCLZBEF-UHFFFAOYSA-N 0 0 328.371 4.390 50 30 EIEARN COc1ccc(C(C)=O)cc1COc1c(Cl)cc(C#N)cc1OC ZINC000006126821 210593360 /nfs/dbraw/zinc/59/33/60/210593360.db2.gz CMFIKUVQAGCUKP-UHFFFAOYSA-N 0 0 345.782 4.010 50 30 EIEARN CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O ZINC000005255155 210426176 /nfs/dbraw/zinc/42/61/76/210426176.db2.gz OPOGZDVWQAFPCD-SXGWCWSVSA-N 0 0 343.766 4.017 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)Nc1sc(C#N)c(N)c1[C@@H]2c1ccccc1 ZINC000004990281 210352530 /nfs/dbraw/zinc/35/25/30/210352530.db2.gz GFHHYUBACWZQPN-OAHLLOKOSA-N 0 0 349.459 4.403 50 30 EIEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccs2)cc1 ZINC000004987368 210351378 /nfs/dbraw/zinc/35/13/78/210351378.db2.gz GXVNNANKMAUPMG-LSDHHAIUSA-N 0 0 337.444 4.061 50 30 EIEARN CCN(CC)C(=O)c1cn(CCC#N)nc1-c1cccc2ccccc21 ZINC000005000334 210355628 /nfs/dbraw/zinc/35/56/28/210355628.db2.gz RBPWDMXWRTVFGJ-UHFFFAOYSA-N 0 0 346.434 4.099 50 30 EIEARN Cc1cc(C)c(C(=O)C(=Cc2ccccc2)c2ccccc2)c(=O)[nH]1 ZINC000004953406 210337294 /nfs/dbraw/zinc/33/72/94/210337294.db2.gz FRXDNORLEIMSIV-XMHGGMMESA-N 0 0 329.399 4.415 50 30 EIEARN CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000097220159 218998504 /nfs/dbraw/zinc/99/85/04/218998504.db2.gz FFJYDNDMGVBFBP-ALCCZGGFSA-N 0 0 333.775 4.165 50 30 EIEARN Cc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 ZINC000004843296 210298168 /nfs/dbraw/zinc/29/81/68/210298168.db2.gz DHVMMCSPYVDZIK-FUHWJXTLSA-N 0 0 349.405 4.138 50 30 EIEARN N#Cc1cc(N[C@H]2CCO[C@@]3(CCSC3)C2)ccc1C(F)(F)F ZINC000097379218 219020051 /nfs/dbraw/zinc/02/00/51/219020051.db2.gz IDJXJQLNETULEQ-ZFWWWQNUSA-N 0 0 342.386 4.044 50 30 EIEARN Fc1ccc(CN=Nc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000004811863 210283654 /nfs/dbraw/zinc/28/36/54/210283654.db2.gz CFRXOYUERWVQOJ-FSJBWODESA-N 0 0 343.365 4.277 50 30 EIEARN CCN1C(=O)/C(=C/c2ccc(C)o2)S/C1=N/c1ccc(OC)cc1 ZINC000097466962 219026638 /nfs/dbraw/zinc/02/66/38/219026638.db2.gz DVWKPSKKRXSYPX-QOOZPXINSA-N 0 0 342.420 4.221 50 30 EIEARN CN(C(=O)c1ccc(-c2cccc(C#N)c2)cc1)C(C1CC1)C1CC1 ZINC000426410446 257969832 /nfs/dbraw/zinc/96/98/32/257969832.db2.gz GWGDRNTXGZPRJV-UHFFFAOYSA-N 0 0 330.431 4.486 50 30 EIEARN COc1ccc2c(c1)OCC/C(=C\c1ccc(O[C@H](C)C#N)cc1)C2=O ZINC000364936189 257930870 /nfs/dbraw/zinc/93/08/70/257930870.db2.gz FNLUPPHBRQGSCP-DSQDWWTGSA-N 0 0 349.386 4.035 50 30 EIEARN O=C(Nc1ccc(Cl)cc1)O/N=C1\CCCC[C@@H]1Cn1ccnc1 ZINC000000124801 258047505 /nfs/dbraw/zinc/04/75/05/258047505.db2.gz RAVRMCSMBCNRNQ-IQQDNESTSA-N 0 0 346.818 4.331 50 30 EIEARN CCCOC(=NC(=O)c1ccccc1Cl)NCc1ccccc1 ZINC000006593346 257975953 /nfs/dbraw/zinc/97/59/53/257975953.db2.gz IJKZEDSXWARFPQ-UHFFFAOYSA-N 0 0 330.815 4.053 50 30 EIEARN CCc1cccc2c1OCC[C@@H]2NC(=O)Cc1ccc(Cl)cn1 ZINC000330033238 258002482 /nfs/dbraw/zinc/00/24/82/258002482.db2.gz YAYXODIBYKOCPR-INIZCTEOSA-N 0 0 330.815 4.320 50 30 EIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)C1CCCCC1 ZINC000002332944 258003062 /nfs/dbraw/zinc/00/30/62/258003062.db2.gz FYXKDMGWDRTPCE-WQRHYEAKSA-N 0 0 338.359 4.382 50 30 EIEARN O=C(Nc1c[nH]nc1-c1ccccc1F)[C@H](O)c1ccccc1Cl ZINC000330031855 258003174 /nfs/dbraw/zinc/00/31/74/258003174.db2.gz DZYCBFYWPNBRBX-MRXNPFEDSA-N 0 0 345.761 4.191 50 30 EIEARN C=C(C)COc1ccccc1C(=O)N(CC)[C@H]1CCOC(C)(C)C1 ZINC000055054734 258014677 /nfs/dbraw/zinc/01/46/77/258014677.db2.gz JPAMFBXXHRDIHH-INIZCTEOSA-N 0 0 331.456 4.061 50 30 EIEARN C#CCn1c2ccccc2nc1SCCOc1ccc(Cl)cc1 ZINC000012062323 258017849 /nfs/dbraw/zinc/01/78/49/258017849.db2.gz ONMZWMVDKPOFDQ-UHFFFAOYSA-N 0 0 342.851 4.494 50 30 EIEARN C=CCSc1ccccc1NS(=O)(=O)/C=C/c1ccccc1 ZINC000007709658 258017982 /nfs/dbraw/zinc/01/79/82/258017982.db2.gz ZHPVMIHXDHTQAG-WYMLVPIESA-N 0 0 331.462 4.377 50 30 EIEARN C=CCNc1nnc(S[C@H](C)c2nnc(-c3ccccc3)o2)s1 ZINC000007838172 258018069 /nfs/dbraw/zinc/01/80/69/258018069.db2.gz WHZFYHFVTWAFSY-SNVBAGLBSA-N 0 0 345.453 4.039 50 30 EIEARN CSc1ccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000007350131 258053149 /nfs/dbraw/zinc/05/31/49/258053149.db2.gz TYOZMGNWYKIEHQ-FMIVXFBMSA-N 0 0 337.444 4.431 50 30 EIEARN COc1ccc(-c2csc(NC(=O)C3CCCC3)n2)cc1CC#N ZINC000009336259 258053883 /nfs/dbraw/zinc/05/38/83/258053883.db2.gz PSCOJAYXEFXWKA-UHFFFAOYSA-N 0 0 341.436 4.013 50 30 EIEARN Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3cccc(C)c3)n[nH]2)cc1 ZINC000028788407 258057941 /nfs/dbraw/zinc/05/79/41/258057941.db2.gz QWINYHAVRPFJPM-AWEZNQCLSA-N 0 0 336.395 4.144 50 30 EIEARN N#CCCN(Cc1ccco1)C(=O)/C=C(\c1ccccc1)C(F)(F)F ZINC000068423744 258063348 /nfs/dbraw/zinc/06/33/48/258063348.db2.gz KDPGJZDBSDLQJO-FOWTUZBSSA-N 0 0 348.324 4.168 50 30 EIEARN COc1cccc([C@@H]2C(C(C)=O)=C(C)N=C3c4ccccc4C(=O)C32)c1 ZINC000102929087 258069755 /nfs/dbraw/zinc/06/97/55/258069755.db2.gz GFZFWRHJUDIASO-LJQANCHMSA-N 0 0 345.398 4.427 50 30 EIEARN CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@]4(C)CC(=O)C=C[C@@H]4[C@@H]3CC[C@@]21C ZINC000257346574 258073661 /nfs/dbraw/zinc/07/36/61/258073661.db2.gz SYCFUMIHMFWFGR-MPHXHSQOSA-N 0 0 330.468 4.306 50 30 EIEARN O=C1CCCC2=C1[C@@H](c1ccccc1)CC(=O)N2c1ccccc1F ZINC000001079899 135654006 /nfs/dbraw/zinc/65/40/06/135654006.db2.gz FFIAYGINODNWSI-OAHLLOKOSA-N 0 0 335.378 4.353 50 30 EIEARN CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1O ZINC000007742380 262519861 /nfs/dbraw/zinc/51/98/61/262519861.db2.gz YYBQPRRZDBEOSN-BQYQJAHWSA-N 0 0 332.783 4.349 50 30 EIEARN C=CCC(=O)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000015072984 518683915 /nfs/dbraw/zinc/68/39/15/518683915.db2.gz BXFGSDYHBMUSNF-GOSISDBHSA-N 0 0 349.430 4.476 50 30 EIEARN C=CC[C@@H](CC)NC(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000241930369 519095408 /nfs/dbraw/zinc/09/54/08/519095408.db2.gz UIABHONPVBYKNP-CQSZACIVSA-N 0 0 341.411 4.317 50 30 EIEARN C=CCc1ccc(OCCCOc2ccccc2C(C)=O)c(OC)c1 ZINC000002985663 519138121 /nfs/dbraw/zinc/13/81/21/519138121.db2.gz VUNCUYRFTCXLHA-UHFFFAOYSA-N 0 0 340.419 4.474 50 30 EIEARN C=CCc1ccccc1OCCOCCOc1cccc(OCC)c1 ZINC000002985061 519145494 /nfs/dbraw/zinc/14/54/94/519145494.db2.gz GAKBCFAIANENIC-UHFFFAOYSA-N 0 0 342.435 4.288 50 30 EIEARN C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccc1 ZINC000000186588 519246236 /nfs/dbraw/zinc/24/62/36/519246236.db2.gz LYYIWECEKNWYFE-UHFFFAOYSA-N 0 0 347.447 4.300 50 30 EIEARN CCOC(=O)Cc1ccc(C(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC000097073345 520903724 /nfs/dbraw/zinc/90/37/24/520903724.db2.gz HMGSJRBPSDENFM-GHXNOFRVSA-N 0 0 328.795 4.342 50 30 EIEARN COc1cc(/C=C/C(=O)c2cccc(OC(F)F)c2)cc(OC)c1 ZINC000006510693 521940953 /nfs/dbraw/zinc/94/09/53/521940953.db2.gz MDYFQTNPDQACSJ-VOTSOKGWSA-N 0 0 334.318 4.201 50 30 EIEARN COc1cc(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)ccc1O ZINC000008322775 522048716 /nfs/dbraw/zinc/04/87/16/522048716.db2.gz HGQHBFXQHXDJGF-ZRDIBKRKSA-N 0 0 348.402 4.099 50 30 EIEARN COc1ccc(CN=Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000016837137 523446904 /nfs/dbraw/zinc/44/69/04/523446904.db2.gz ZHXNDFNLDXEJRH-VXLYETTFSA-N 0 0 327.384 4.404 50 30 EIEARN CCc1cccc(C)c1NC=CC(=O)c1ccc(OC)c(OC)c1 ZINC000000352490 524062256 /nfs/dbraw/zinc/06/22/56/524062256.db2.gz YJARWJYXMWESQR-VAWYXSNFSA-N 0 0 325.408 4.383 50 30 EIEARN C[C@@H](CC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000041556521 524397735 /nfs/dbraw/zinc/39/77/35/524397735.db2.gz YTSMFGQLQYDWEA-WFASDCNBSA-N 0 0 332.325 4.470 50 30 EIEARN C[C@H](NC(=O)Nc1ccc(OCC#N)cc1)c1cc2ccccc2o1 ZINC000043572471 525112735 /nfs/dbraw/zinc/11/27/35/525112735.db2.gz XTRVSSCNKKWPTM-ZDUSSCGKSA-N 0 0 335.363 4.218 50 30 EIEARN Cc1cc([C@@H](C#N)C(=O)c2cccc(Oc3ccccc3)c2)nc(C)n1 ZINC000041574243 525444113 /nfs/dbraw/zinc/44/41/13/525444113.db2.gz KIVCRUOOHJOXOS-LJQANCHMSA-N 0 0 343.386 4.376 50 30 EIEARN Cc1cc([C@H](C#N)C(=O)c2cccc(Oc3ccccc3)c2)nc(C)n1 ZINC000041574244 525501635 /nfs/dbraw/zinc/50/16/35/525501635.db2.gz KIVCRUOOHJOXOS-IBGZPJMESA-N 0 0 343.386 4.376 50 30 EIEARN C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)Cc1ccco1 ZINC000069622791 526237626 /nfs/dbraw/zinc/23/76/26/526237626.db2.gz FIMIPDNDBPNCEE-KBPBESRZSA-N 0 0 343.452 4.284 50 30 EIEARN Cc1csc(SCC(=O)c2cn(CCC#N)c3ccccc23)n1 ZINC000006534310 526398193 /nfs/dbraw/zinc/39/81/93/526398193.db2.gz XCJGPITWJSRNLL-UHFFFAOYSA-N 0 0 341.461 4.295 50 30 EIEARN N#CCC[C@H](C#N)CSc1nc(-c2ccco2)nc2ccccc21 ZINC000012902859 526465167 /nfs/dbraw/zinc/46/51/67/526465167.db2.gz FDRGAGORUCTYMD-CYBMUJFWSA-N 0 0 334.404 4.425 50 30 EIEARN O=C(/C=C/c1ccc(OCCCF)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004085257 527617002 /nfs/dbraw/zinc/61/70/02/527617002.db2.gz JMQYJKAWEUOBSR-NYYWCZLTSA-N 0 0 329.327 4.229 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1cccs1 ZINC000206589994 535503050 /nfs/dbraw/zinc/50/30/50/535503050.db2.gz VLNWVYZKSGDORR-LPHOPBHVSA-N 0 0 340.444 4.376 50 30 EIEARN COc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O ZINC000005219290 564001163 /nfs/dbraw/zinc/00/11/63/564001163.db2.gz VKLGBMQBIBMWTI-NVNXTCNLSA-N 0 0 331.165 4.074 50 30 biogenic EIEARN O=C(/C=C/c1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000013141572 564136056 /nfs/dbraw/zinc/13/60/56/564136056.db2.gz LZMCBOJCNNDHPU-CMDGGOBGSA-N 0 0 332.153 4.253 50 30 EIEARN CCCC(=O)C1=C(N2CCCC2)C[C@@H](C[C@H](C)SCC)CC1=O ZINC000000287488 563273030 /nfs/dbraw/zinc/27/30/30/563273030.db2.gz MDCRZNOMFMQRMO-LSDHHAIUSA-N 0 0 337.529 4.216 50 30 EIEARN NC(=O)c1cccc(/N=C/c2ccc(OCc3ccccc3)cc2)c1 ZINC000000297192 563274878 /nfs/dbraw/zinc/27/48/78/563274878.db2.gz WNCQHYFEQRBAJC-OEAKJJBVSA-N 0 0 330.387 4.115 50 30 EIEARN COc1cc(/N=C/c2cccs2)ccc1NC(=O)c1ccco1 ZINC000000361118 563293776 /nfs/dbraw/zinc/29/37/76/563293776.db2.gz HFJWEKSOWJACQJ-WOJGMQOQSA-N 0 0 326.377 4.353 50 30 EIEARN C(=CNNc1cccc2cccnc21)N=Nc1cccc2cccnc21 ZINC000001951178 563416880 /nfs/dbraw/zinc/41/68/80/563416880.db2.gz ZCXCUMOCPHMQDX-RNIAWFEPSA-N 0 0 340.390 4.279 50 30 EIEARN CCC(Nc1cccc2cccnc21)=C1C(=O)c2ccccc2C1=O ZINC000002562059 563441930 /nfs/dbraw/zinc/44/19/30/563441930.db2.gz FXWJVSYTKAPUNQ-UHFFFAOYSA-N 0 0 328.371 4.390 50 30 EIEARN C=CCOc1ccc(/C=C2\SC(=O)N(CC=C)C2=O)cc1Cl ZINC000002813014 563451925 /nfs/dbraw/zinc/45/19/25/563451925.db2.gz ZOGYRIPQUPBAAQ-UVTDQMKNSA-N 0 0 335.812 4.127 50 30 EIEARN C/C(=N\N1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000005129867 563521364 /nfs/dbraw/zinc/52/13/64/563521364.db2.gz DSEQZWYEEOMRMX-PTGBLXJZSA-N 0 0 329.447 4.386 50 30 EIEARN CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(C)cc1 ZINC000005498834 563535398 /nfs/dbraw/zinc/53/53/98/563535398.db2.gz YZMCCFJDPWDVPD-UHFFFAOYSA-N 0 0 334.448 4.437 50 30 EIEARN C=CCCc1ccc(-c2ccc(I)cc2)nc1 ZINC000003065699 563631910 /nfs/dbraw/zinc/63/19/10/563631910.db2.gz RUAFBZBKMNLEMK-UHFFFAOYSA-N 0 0 335.188 4.472 50 30 EIEARN C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S ZINC000032594005 563662680 /nfs/dbraw/zinc/66/26/80/563662680.db2.gz QJSIZYQOAZXHLN-XNTDXEJSSA-N 0 0 345.420 4.473 50 30 EIEARN CN(C)c1ccc(/C=C/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1 ZINC000013476993 563699509 /nfs/dbraw/zinc/69/95/09/563699509.db2.gz NQPVIZHYBQUQHM-ZOQHSEBNSA-N 0 0 349.459 4.200 50 30 EIEARN COc1ccc(-c2nc(C=C3C(=O)c4ccccc4C3=O)cs2)cc1 ZINC000014197015 563749379 /nfs/dbraw/zinc/74/93/79/563749379.db2.gz JLWGRCIWFBQQQB-UHFFFAOYSA-N 0 0 347.395 4.281 50 30 EIEARN O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccc2[nH]cnc2c1 ZINC000032907501 563799381 /nfs/dbraw/zinc/79/93/81/563799381.db2.gz VJMBIOPNMKSOQK-UHFFFAOYSA-N 0 0 343.411 4.277 50 30 EIEARN COC(=O)c1sccc1N=NC(C)c1ccc(F)c(Cl)c1 ZINC000004587169 563808207 /nfs/dbraw/zinc/80/82/07/563808207.db2.gz KJGAODDKDJPDEC-CAOOACKPSA-N 0 0 326.780 4.163 50 30 EIEARN COc1ccc([C@H]2CC(=O)C=C(Nc3cc(Cl)ccc3O)C2)cc1 ZINC000017029054 563829494 /nfs/dbraw/zinc/82/94/94/563829494.db2.gz PGOYVGRPVNBELQ-CYBMUJFWSA-N 0 0 343.810 4.497 50 30 EIEARN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1n[nH]c(-c2ccccc2)n1 ZINC000025157944 563881605 /nfs/dbraw/zinc/88/16/05/563881605.db2.gz LQIMJLRYHPNVSC-NSHDSACASA-N 0 0 342.786 4.181 50 30 EIEARN C#CCN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1cccs1 ZINC000072268178 563895354 /nfs/dbraw/zinc/89/53/54/563895354.db2.gz QATGOZOXRMCNSO-HNNXBMFYSA-N 0 0 340.448 4.061 50 30 EIEARN Cc1cc(O[C@@H](C)C(=O)Nc2sccc2C#N)ccc1C(C)C ZINC000048356536 563915815 /nfs/dbraw/zinc/91/58/15/563915815.db2.gz PAZLYOTVICSFMR-ZDUSSCGKSA-N 0 0 328.437 4.458 50 30 EIEARN CCOC(=O)c1ccc(/C=C/C(=O)c2sc(C(C)(C)C)nc2C)o1 ZINC000072312354 563929261 /nfs/dbraw/zinc/92/92/61/563929261.db2.gz NZZPKXZKKUELRZ-VQHVLOKHSA-N 0 0 347.436 4.415 50 30 EIEARN COc1ccc(C[C@H](C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000057525052 563935692 /nfs/dbraw/zinc/93/56/92/563935692.db2.gz LABJGRYIBZFCQI-CYBMUJFWSA-N 0 0 348.324 4.035 50 30 EIEARN COc1ccc(-c2csc(C(C#N)C(=O)C[C@H]3C=CCC3)n2)cc1 ZINC000058305122 563942119 /nfs/dbraw/zinc/94/21/19/563942119.db2.gz NXNBRXXYEAJERZ-XJKSGUPXSA-N 0 0 338.432 4.351 50 30 EIEARN CNc1ccc(/C=C2/CSc3ccc(F)cc3C2=O)cc1[N+](=O)[O-] ZINC000096765599 563962265 /nfs/dbraw/zinc/96/22/65/563962265.db2.gz ZFHIFUGWUMWMAY-WDZFZDKYSA-N 0 0 344.367 4.148 50 30 EIEARN CCCCCCCCCC(=O)NCCc1ccc2c(c1)OCCO2 ZINC000098050568 563973629 /nfs/dbraw/zinc/97/36/29/563973629.db2.gz PRVXURIBOPHSGW-UHFFFAOYSA-N 0 0 333.472 4.257 50 30 EIEARN COc1c(Cl)c(Cl)ccc1[C@@H](C#N)N1N=C(C)CC1(C)C ZINC000085430404 563973804 /nfs/dbraw/zinc/97/38/04/563973804.db2.gz HVSHNJXTDCFINT-GFCCVEGCSA-N 0 0 326.227 4.427 50 30 EIEARN C=CC/N=C1/S/C(=C/c2ccccc2O)C(=O)N1C1CCCCC1 ZINC000033347303 563974743 /nfs/dbraw/zinc/97/47/43/563974743.db2.gz PVBOCTZTXGZIFX-SXXHPKIYSA-N 0 0 342.464 4.183 50 30 EIEARN CSC(/N=C/N(C)C)=N/N=C(\C)c1ccc(Cl)c(Cl)c1 ZINC000095747992 563977679 /nfs/dbraw/zinc/97/76/79/563977679.db2.gz AXXZCHSXGRENDN-RCZDYDGJSA-N 0 0 331.272 4.026 50 30 EIEARN N#C[C@@H](c1ccccc1)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)c1 ZINC000072297925 563981742 /nfs/dbraw/zinc/98/17/42/563981742.db2.gz SHXKECXFMFVRIM-IRXDYDNUSA-N 0 0 339.826 4.037 50 30 EIEARN CC1(C)CCC[C@](C)(C#CC[N@@H+]2CCC[C@@H](c3cccnc3)C2)O1 ZINC000000100133 563983148 /nfs/dbraw/zinc/98/31/48/563983148.db2.gz NUNVPUXDSPVZBU-TZIWHRDSSA-N 0 0 326.484 4.002 50 30 EIEARN C=Cc1ccc(CCNC(=O)c2cnn(CC(C)C)c2CC)cc1 ZINC000328593991 563984316 /nfs/dbraw/zinc/98/43/16/563984316.db2.gz GKZAORRNBYIUSD-UHFFFAOYSA-N 0 0 325.456 4.292 50 30 EIEARN Cc1ccc2nsnc2c1/N=C/c1cc(Br)ccc1O ZINC000003156096 563985362 /nfs/dbraw/zinc/98/53/62/563985362.db2.gz GZTFCRXJSMXUDT-FRKPEAEDSA-N 0 0 348.225 4.218 50 30 EIEARN Cc1ccc(CNc2oc(COc3ccccc3C)nc2C#N)cc1 ZINC000000108085 563986538 /nfs/dbraw/zinc/98/65/38/563986538.db2.gz TWJHAISMJLPXIN-UHFFFAOYSA-N 0 0 333.391 4.354 50 30 EIEARN C[C@@H](Nc1oc(COc2ccccc2F)nc1C#N)c1ccccc1 ZINC000000108167 563986592 /nfs/dbraw/zinc/98/65/92/563986592.db2.gz RFPPNSOTTHMPJK-CYBMUJFWSA-N 0 0 337.354 4.437 50 30 EIEARN O=C1CCCC2=C1[C@H](c1cccnc1)c1c(ccc3ncccc31)N2 ZINC000000108720 563986596 /nfs/dbraw/zinc/98/65/96/563986596.db2.gz RUDCCLIPHPGVJJ-LJQANCHMSA-N 0 0 327.387 4.194 50 30 EIEARN N#Cc1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCCC2 ZINC000000169006 563987508 /nfs/dbraw/zinc/98/75/08/563987508.db2.gz LJFXIALEZOGVSK-UHFFFAOYSA-N 0 0 341.392 4.049 50 30 EIEARN Nc1nc(-c2ccc(F)cc2)cn1/N=C/c1ccc(Cl)cc1Cl ZINC000000255002 563989559 /nfs/dbraw/zinc/98/95/59/563989559.db2.gz UPKHSFQCTKNLGS-ODCIPOBUSA-N 0 0 349.196 4.460 50 30 EIEARN Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NCC#N ZINC000252484608 563997748 /nfs/dbraw/zinc/99/77/48/563997748.db2.gz GALSQARMTMPRJK-SECBINFHSA-N 0 0 336.258 4.055 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1cccs1 ZINC000000428056 563998816 /nfs/dbraw/zinc/99/88/16/563998816.db2.gz FJLFUGNWORCSRE-QAPCUYQASA-N 0 0 344.407 4.207 50 30 EIEARN CC(=O)C1=C(C)N(C)C2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1F ZINC000005175889 563999981 /nfs/dbraw/zinc/99/99/81/563999981.db2.gz PWJQVLDBRXSJEN-LJQANCHMSA-N 0 0 347.389 4.325 50 30 EIEARN Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ccc(F)cc2)c1 ZINC000005204416 564000587 /nfs/dbraw/zinc/00/05/87/564000587.db2.gz ZZGHDCRLHMRJAJ-UHFFFAOYSA-N 0 0 342.439 4.482 50 30 EIEARN CC[C@H]1CCCCN1C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000005407057 564003737 /nfs/dbraw/zinc/00/37/37/564003737.db2.gz UMZKPOJDKZBVIH-FQEVSTJZSA-N 0 0 348.446 4.395 50 30 EIEARN CCC(=O)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O ZINC000005437263 564003946 /nfs/dbraw/zinc/00/39/46/564003946.db2.gz SGVYNGVBUAIWQL-SXGWCWSVSA-N 0 0 346.741 4.411 50 30 EIEARN COc1cccc(C(=O)/C=C/c2c(C)nn(Cc3ccccc3)c2C)c1 ZINC000007742346 564006914 /nfs/dbraw/zinc/00/69/14/564006914.db2.gz ARBITFLQFTVJSR-OUKQBFOZSA-N 0 0 346.430 4.453 50 30 EIEARN C=CCn1c2ccc(OCC)cc2s/c1=N\C(=O)c1cccs1 ZINC000100874998 564017013 /nfs/dbraw/zinc/01/70/13/564017013.db2.gz QDOLTTAVONFIQN-ZCXUNETKSA-N 0 0 344.461 4.090 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccncc1)OCO3 ZINC000018197413 564018697 /nfs/dbraw/zinc/01/86/97/564018697.db2.gz BGLBELVCFHLEOJ-IBGZPJMESA-N 0 0 348.402 4.011 50 30 EIEARN COc1ccc([C@@H]2CC(=O)C=C(Nc3ccccc3N)C2)cc1OC ZINC000102878958 564020904 /nfs/dbraw/zinc/02/09/04/564020904.db2.gz JAOQCOASOVROEI-UGHXVNEISA-N 0 0 338.407 4.378 50 30 EIEARN CCC(NCc1ccccc1)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000102969741 564021002 /nfs/dbraw/zinc/02/10/02/564021002.db2.gz CBBCVIYCUAIAIM-UHFFFAOYSA-N 0 0 333.431 4.156 50 30 EIEARN CCOc1ccc2c(c1)C(=O)/C(=C/NCc1ccc(F)cc1)S2 ZINC000103246560 564021949 /nfs/dbraw/zinc/02/19/49/564021949.db2.gz FMAFWNCWBDBFEU-BOPFTXTBSA-N 0 0 329.396 4.144 50 30 EIEARN N#Cc1nc(Cc2cccc3ccccc32)oc1NCc1ccco1 ZINC000000534224 564022039 /nfs/dbraw/zinc/02/20/39/564022039.db2.gz SPAPQDYXLRYQOD-UHFFFAOYSA-N 0 0 329.359 4.495 50 30 EIEARN C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCC1 ZINC000000551357 564022986 /nfs/dbraw/zinc/02/29/86/564022986.db2.gz UQHUGESDGCPPMF-UHFFFAOYSA-N 0 0 330.435 4.386 50 30 EIEARN N#Cc1c(COC(=O)c2ccc(C(F)(F)F)cc2)cn2ccccc12 ZINC000014857948 564025213 /nfs/dbraw/zinc/02/52/13/564025213.db2.gz ZAIJTHCKSDYPQF-UHFFFAOYSA-N 0 0 344.292 4.187 50 30 EIEARN O=C(/C=C/c1ccc(Cl)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000048312144 564030787 /nfs/dbraw/zinc/03/07/87/564030787.db2.gz HIXVIZXQVGZNLZ-XCVCLJGOSA-N 0 0 327.767 4.193 50 30 EIEARN CC(=CC(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000049397336 564032740 /nfs/dbraw/zinc/03/27/40/564032740.db2.gz QNFWKCOBQQVTRC-SOZJPDODSA-N 0 0 328.721 4.286 50 30 EIEARN O=C(CCc1cccnc1)Nc1cccc(C#Cc2cccs2)c1 ZINC000032907513 564036271 /nfs/dbraw/zinc/03/62/71/564036271.db2.gz INCZGGIHNSNQFI-UHFFFAOYSA-N 0 0 332.428 4.114 50 30 EIEARN N#CC1(CCCSc2nccn2-c2cccc(F)c2)CCOCC1 ZINC000241316674 564051967 /nfs/dbraw/zinc/05/19/67/564051967.db2.gz LTYITBDBEQHRBW-UHFFFAOYSA-N 0 0 345.443 4.204 50 30 EIEARN CC(=O)N[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257358205 564055980 /nfs/dbraw/zinc/05/59/80/564055980.db2.gz SDLZQPJEYFVSOQ-SOXBMFEASA-N 0 0 329.484 4.023 50 30 EIEARN CN(C)/C=C/C(=O)c1ncc(C(F)(F)F)cc1Oc1ccccc1 ZINC000261494944 564056191 /nfs/dbraw/zinc/05/61/91/564056191.db2.gz WAWCIATVGOPYQH-CMDGGOBGSA-N 0 0 336.313 4.151 50 30 EIEARN C=C(Cl)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000005823782 564056545 /nfs/dbraw/zinc/05/65/45/564056545.db2.gz XCFZKENOMYJGHE-UHFFFAOYSA-N 0 0 328.751 4.297 50 30 biogenic EIEARN COc1ccc(Cl)cc1C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000005917937 564056958 /nfs/dbraw/zinc/05/69/58/564056958.db2.gz XSSRVUNPQCDMQS-GORDUTHDSA-N 0 0 330.767 4.016 50 30 EIEARN CC(C)(C)c1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3)n2)cc1 ZINC000034909390 564057333 /nfs/dbraw/zinc/05/73/33/564057333.db2.gz CUTOHMNNZFFULF-UHFFFAOYSA-N 0 0 344.418 4.294 50 30 EIEARN N#Cc1cccnc1Oc1ccc(NC(=O)NCc2ccccc2)cc1 ZINC000012538945 564058485 /nfs/dbraw/zinc/05/84/85/564058485.db2.gz LDGNKIJBGUOFNU-UHFFFAOYSA-N 0 0 344.374 4.067 50 30 EIEARN Brc1ccc(-c2csc(/N=C/N3CCCC3)n2)cc1 ZINC000003230450 564058566 /nfs/dbraw/zinc/05/85/66/564058566.db2.gz SBXVPSPHKHXYDP-MHWRWJLKSA-N 0 0 336.258 4.328 50 30 EIEARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccccc1C#N ZINC000015311796 564060646 /nfs/dbraw/zinc/06/06/46/564060646.db2.gz GLWPAQAZTJXUMQ-UHFFFAOYSA-N 0 0 328.799 4.318 50 30 EIEARN N#Cc1cnn2c1N[C@@H](c1ccc(Cl)cc1)C[C@@H]2C(F)(F)F ZINC000002766758 564061218 /nfs/dbraw/zinc/06/12/18/564061218.db2.gz SJWMEWOSPZLVKL-VXGBXAGGSA-N 0 0 326.709 4.068 50 30 EIEARN N#Cc1cnn2c1N[C@H](c1ccc(Cl)cc1)C[C@@H]2C(F)(F)F ZINC000002766759 564061254 /nfs/dbraw/zinc/06/12/54/564061254.db2.gz SJWMEWOSPZLVKL-NWDGAFQWSA-N 0 0 326.709 4.068 50 30 EIEARN C=CCNC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 ZINC000015424803 564062089 /nfs/dbraw/zinc/06/20/89/564062089.db2.gz JZFICAZTRHEUHG-UHFFFAOYSA-N 0 0 345.855 4.024 50 30 EIEARN N#Cc1c(Cl)nc(-c2ccncc2)nc1-c1ccc(Cl)cc1 ZINC000001393401 564064443 /nfs/dbraw/zinc/06/44/43/564064443.db2.gz QRWIMUFMRSENIA-UHFFFAOYSA-N 0 0 327.174 4.384 50 30 EIEARN CCOC(=S)Sc1c(Cl)c(Cl)nc(Cl)c1C#N ZINC000001418721 564066046 /nfs/dbraw/zinc/06/60/46/564066046.db2.gz RXWOHXLZUHEKIQ-UHFFFAOYSA-N 0 0 327.645 4.327 50 30 EIEARN Cc1ccc(C[C@H]2CCCN(c3snc(Cl)c3C#N)C2)cc1 ZINC000084148790 564067045 /nfs/dbraw/zinc/06/70/45/564067045.db2.gz VXQPRXCYJNEGOP-CQSZACIVSA-N 0 0 331.872 4.436 50 30 EIEARN C=CCOc1ccc(NC(=O)C(=O)c2c[nH]c3c2cccc3CC)cc1 ZINC000013858146 564073999 /nfs/dbraw/zinc/07/39/99/564073999.db2.gz OHEMIXXNQIEFNF-UHFFFAOYSA-N 0 0 348.402 4.117 50 30 EIEARN C=CCc1cccc2cc(C(=O)Nc3ccccc3OCC)c(=O)oc21 ZINC000000259842 564074522 /nfs/dbraw/zinc/07/45/22/564074522.db2.gz NDPORGFYNUJKFW-UHFFFAOYSA-N 0 0 349.386 4.173 50 30 EIEARN C=C(C)COc1ccc2c3c(c(=O)oc2c1OCC(=C)C)CCC3 ZINC000002482281 564074844 /nfs/dbraw/zinc/07/48/44/564074844.db2.gz JZCCHAJIHIIDBP-UHFFFAOYSA-N 0 0 326.392 4.192 50 30 EIEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CCCO3)sc2C1 ZINC000001516937 564074887 /nfs/dbraw/zinc/07/48/87/564074887.db2.gz TWPGHZAHELCUPH-WFASDCNBSA-N 0 0 346.496 4.278 50 30 EIEARN C[C@H](CC#N)N(C)C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000086299435 564075526 /nfs/dbraw/zinc/07/55/26/564075526.db2.gz DWDNJBGRUURUOB-MRXNPFEDSA-N 0 0 337.423 4.169 50 30 EIEARN CCCC(=O)Nc1ccc(OCc2ccc(C#N)cc2)c(C(C)=O)c1 ZINC000012902657 564077699 /nfs/dbraw/zinc/07/76/99/564077699.db2.gz JLFUBMODZVIDOT-UHFFFAOYSA-N 0 0 336.391 4.078 50 30 EIEARN N#Cc1c(NC(=O)CNc2ccc(F)cc2)sc2c1CCCCC2 ZINC000012925043 564078492 /nfs/dbraw/zinc/07/84/92/564078492.db2.gz IPLSXHNWKHOIPU-UHFFFAOYSA-N 0 0 343.427 4.078 50 30 EIEARN CCOc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000001932424 564090289 /nfs/dbraw/zinc/09/02/89/564090289.db2.gz BFEUUHMWVQSSJG-UHFFFAOYSA-N 0 0 326.421 4.150 50 30 EIEARN Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000001959777 564090350 /nfs/dbraw/zinc/09/03/50/564090350.db2.gz VPDAYLSTMOPQRB-ZDUSSCGKSA-N 0 0 340.448 4.071 50 30 EIEARN Cc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000001959823 564090354 /nfs/dbraw/zinc/09/03/54/564090354.db2.gz UJPFUJBDEICEFP-LBPRGKRZSA-N 0 0 340.448 4.071 50 30 EIEARN COc1ccc(Cl)cc1CC(=O)Oc1ccc(C#N)cc1Cl ZINC000089457397 564090663 /nfs/dbraw/zinc/09/06/63/564090663.db2.gz SUMMMGBAOMQWRS-UHFFFAOYSA-N 0 0 336.174 4.022 50 30 EIEARN CC(C=NN1C(=S)N=NC1c1cccc(Cl)c1)=Cc1ccco1 ZINC000005909292 564093356 /nfs/dbraw/zinc/09/33/56/564093356.db2.gz NQDFYDXXVPWJGD-LEMUSSHESA-N 0 0 344.827 4.418 50 30 EIEARN CC(N=Nc1nnc(Cl)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000006780336 564097587 /nfs/dbraw/zinc/09/75/87/564097587.db2.gz GKXRTVIPCADKKD-ZDLGFXPLSA-N 0 0 341.758 4.028 50 30 EIEARN N#CC[C@H](NC(=O)Nc1ccc(F)cc1OC(F)F)c1ccccc1 ZINC000170600071 564109293 /nfs/dbraw/zinc/10/92/93/564109293.db2.gz KUHSJOFYFCENEF-ZDUSSCGKSA-N 0 0 349.312 4.204 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1ccccc1 ZINC000170615312 564109970 /nfs/dbraw/zinc/10/99/70/564109970.db2.gz KZAOVYSNZPXACK-PZJWPPBQSA-N 0 0 334.415 4.314 50 30 EIEARN C[C@@H](NC(=O)N(CCC#N)c1ccccc1F)[C@H](C)c1ccccc1 ZINC000170616162 564110090 /nfs/dbraw/zinc/11/00/90/564110090.db2.gz AWOFNOKAKIAHGH-JKSUJKDBSA-N 0 0 339.414 4.448 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@@H]1c1ccsc1 ZINC000170618110 564110113 /nfs/dbraw/zinc/11/01/13/564110113.db2.gz CNKJAIIDFUIMKZ-ZBFHGGJFSA-N 0 0 332.446 4.129 50 30 EIEARN Cc1cc(C)c(C#N)c(N(C)Cc2cc(Br)cs2)n1 ZINC000042252599 564110872 /nfs/dbraw/zinc/11/08/72/564110872.db2.gz BQUMNIOYELMHHW-UHFFFAOYSA-N 0 0 336.258 4.031 50 30 EIEARN C=CCN(Cc1cccs1)Cn1nc(-c2ccccc2)[nH]c1=S ZINC000014245361 564112359 /nfs/dbraw/zinc/11/23/59/564112359.db2.gz LNJSYJWVLSTJPI-UHFFFAOYSA-N 0 0 342.493 4.315 50 30 EIEARN CC(C=NN1C(=S)N=NC1c1cccc(C)c1)=Cc1ccccc1 ZINC000005981730 564112586 /nfs/dbraw/zinc/11/25/86/564112586.db2.gz DJHVQEMCITVASR-JPGHCFAASA-N 0 0 334.448 4.480 50 30 EIEARN N#Cc1ccc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)cc1 ZINC000089878987 564114648 /nfs/dbraw/zinc/11/46/48/564114648.db2.gz ABZYNFLSKHXPSS-HXUWFJFHSA-N 0 0 333.822 4.486 50 30 EIEARN COc1cccc(C=Nc2ccccc2C(=O)Nc2ccccc2)c1O ZINC000252461946 564118708 /nfs/dbraw/zinc/11/87/08/564118708.db2.gz OOILAKSTWCEDAF-UHFFFAOYSA-N 0 0 346.386 4.404 50 30 EIEARN N#CCC[C@H](C#N)CN1CCC(c2ccc(Br)cc2)CC1 ZINC000252484468 564119253 /nfs/dbraw/zinc/11/92/53/564119253.db2.gz FXFZTRWKJAMCHY-CQSZACIVSA-N 0 0 346.272 4.072 50 30 EIEARN COc1ccc(N=Cc2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000252607513 564121313 /nfs/dbraw/zinc/12/13/13/564121313.db2.gz HCESTFFUUSSTGV-UHFFFAOYSA-N 0 0 335.157 4.117 50 30 EIEARN Cc1ccc(C(=O)Nc2ccccc2C(=NO)c2ccccc2)cc1 ZINC000252621791 564122930 /nfs/dbraw/zinc/12/29/30/564122930.db2.gz NGUNHOGUGUCICB-UHFFFAOYSA-N 0 0 330.387 4.474 50 30 EIEARN Cc1cc(C(=O)COc2ccc(C#N)cc2Cl)c(C)n1C(C)C ZINC000007857149 564124264 /nfs/dbraw/zinc/12/42/64/564124264.db2.gz YTOLORLVIDHBJR-UHFFFAOYSA-N 0 0 330.815 4.473 50 30 EIEARN Cc1ccc(C=Nc2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-] ZINC000252640460 564124636 /nfs/dbraw/zinc/12/46/36/564124636.db2.gz YUHBRHMBDPXBNP-UHFFFAOYSA-N 0 0 325.393 4.466 50 30 EIEARN Cc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000002285060 564130260 /nfs/dbraw/zinc/13/02/60/564130260.db2.gz GHXATRXLUWDVMR-UHFFFAOYSA-N 0 0 340.448 4.215 50 30 EIEARN C=CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(CC)C1=O ZINC000027531530 564130688 /nfs/dbraw/zinc/13/06/88/564130688.db2.gz QXWGQVOUAWFYIP-UKTHLTGXSA-N 0 0 339.869 4.126 50 30 EIEARN C[C@]1([C@@H]2CC[C@@H]3[C@@H]4CC(=O)[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)CO1 ZINC000253499733 564132733 /nfs/dbraw/zinc/13/27/33/564132733.db2.gz MXNIOJVTFHRXCI-MTHACQSLSA-N 0 0 344.495 4.182 50 30 EIEARN C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)CC#N ZINC000253499660 564132783 /nfs/dbraw/zinc/13/27/83/564132783.db2.gz INRPBWOOOGNJSE-ZVZGYBOSSA-N 0 0 327.468 4.163 50 30 EIEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCc1ccco1 ZINC000000135308 564132877 /nfs/dbraw/zinc/13/28/77/564132877.db2.gz NNDZQTROGIOFNM-UHFFFAOYSA-N 0 0 330.391 4.435 50 30 EIEARN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C#N)c1C ZINC000000138121 564132887 /nfs/dbraw/zinc/13/28/87/564132887.db2.gz MRMREMLEAFELJA-UHFFFAOYSA-N 0 0 335.772 4.051 50 30 EIEARN COc1ccccc1/C=C/c1nc(C#N)c(N(C)Cc2ccccc2)o1 ZINC000008374970 564133974 /nfs/dbraw/zinc/13/39/74/564133974.db2.gz DDOMAQGJPQKJQF-OUKQBFOZSA-N 0 0 345.402 4.362 50 30 EIEARN COc1cccc(/C=C/c2nc(C#N)c(N(C)Cc3ccccc3)o2)c1 ZINC000008374961 564133975 /nfs/dbraw/zinc/13/39/75/564133975.db2.gz BEZUOMXORDYREU-VAWYXSNFSA-N 0 0 345.402 4.362 50 30 EIEARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)/C=C/c1csnn1 ZINC000066256042 564135330 /nfs/dbraw/zinc/13/53/30/564135330.db2.gz WYGWYDHXNDDJGA-VOTSOKGWSA-N 0 0 331.397 4.005 50 30 EIEARN CCc1noc(C)c1NC(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000328588557 564136614 /nfs/dbraw/zinc/13/66/14/564136614.db2.gz SHWKGDFFECPCNS-CZUORRHYSA-N 0 0 327.428 4.277 50 30 EIEARN COc1ccc(CC(=O)O[C@@H](C(=O)Nc2ccccc2)C(C)C)cc1 ZINC000328590561 564136711 /nfs/dbraw/zinc/13/67/11/564136711.db2.gz WBVHIFADWSDWNW-LJQANCHMSA-N 0 0 341.407 4.094 50 30 EIEARN C[Si](C)(C)CCCNC(=O)Cc1csc(-c2ccccn2)n1 ZINC000328592290 564136735 /nfs/dbraw/zinc/13/67/35/564136735.db2.gz MUXRYQAHBWLLIK-UHFFFAOYSA-N 0 0 333.533 4.432 50 30 EIEARN CC(=O)Nc1ccc(CNC(=O)c2scnc2C(F)(F)F)cc1 ZINC000328592611 564136756 /nfs/dbraw/zinc/13/67/56/564136756.db2.gz ONBHBQRMIYOEEG-UHFFFAOYSA-N 0 0 343.330 4.275 50 30 EIEARN Cc1nnc([C@H](C)Nc2cccc(COc3ccc(CC#N)cc3)c2)o1 ZINC000079029642 564137663 /nfs/dbraw/zinc/13/76/63/564137663.db2.gz RHZZVCPQOODXFP-AWEZNQCLSA-N 0 0 348.406 4.196 50 30 EIEARN COc1ccccc1/C=C/C=C/C(=O)c1cc2ccccc2oc1=O ZINC000390834953 564138985 /nfs/dbraw/zinc/13/89/85/564138985.db2.gz VUAYGQZLPUXQRC-VNQMDCGWSA-N 0 0 332.355 4.254 50 30 EIEARN N#CCCSc1ccccc1NC(=O)COc1ccccc1Cl ZINC000095953431 564142414 /nfs/dbraw/zinc/14/24/14/564142414.db2.gz LAJUJENVVILNPG-UHFFFAOYSA-N 0 0 346.839 4.363 50 30 EIEARN COc1cc(C(=O)/C=C\c2c(C)nn(-c3ccccc3)c2C)ccc1O ZINC000096403096 564147158 /nfs/dbraw/zinc/14/71/58/564147158.db2.gz HGQHBFXQHXDJGF-BENRWUELSA-N 0 0 348.402 4.099 50 30 EIEARN N#Cc1cccc(NC(=O)CSc2ccc(Br)cc2)c1 ZINC000002652218 564151902 /nfs/dbraw/zinc/15/19/02/564151902.db2.gz PHOTUSDMJWASKL-UHFFFAOYSA-N 0 0 347.237 4.052 50 30 EIEARN Clc1ccc(CO/N=C/c2cn(-c3ccccc3)nn2)c(Cl)c1 ZINC000003052792 564154767 /nfs/dbraw/zinc/15/47/67/564154767.db2.gz RSIOHGQGCUDDGI-DJKKODMXSA-N 0 0 347.205 4.125 50 30 EIEARN C=CCNc1cc(C[S@](=O)c2ccccc2)nc(-c2ccccc2)n1 ZINC000003104608 564155161 /nfs/dbraw/zinc/15/51/61/564155161.db2.gz DMBNHCLFZSQWGC-RUZDIDTESA-N 0 0 349.459 4.049 50 30 EIEARN N#Cc1ccc(C(F)(F)F)n(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000003134496 564155374 /nfs/dbraw/zinc/15/53/74/564155374.db2.gz XGPMURBRTJVVCR-UHFFFAOYSA-N 0 0 347.123 4.094 50 30 EIEARN C=CCCO[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 ZINC000057985321 564156941 /nfs/dbraw/zinc/15/69/41/564156941.db2.gz FIRFRESGCAXIQP-CQSZACIVSA-N 0 0 330.453 4.347 50 30 EIEARN CC[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000031756352 564159809 /nfs/dbraw/zinc/15/98/09/564159809.db2.gz ZQUYXTMBXNETKI-HNNXBMFYSA-N 0 0 330.334 4.041 50 30 EIEARN C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccs1 ZINC000066956098 564164849 /nfs/dbraw/zinc/16/48/49/564164849.db2.gz JWYPESWLEVXTHB-GFCCVEGCSA-N 0 0 331.466 4.464 50 30 EIEARN Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc(C)c(SCC#N)s2)s1 ZINC000069418887 564169339 /nfs/dbraw/zinc/16/93/39/564169339.db2.gz FYZNPQCCXZVKMK-QWRGUYRKSA-N 0 0 349.506 4.179 50 30 EIEARN CSc1ccc(Cl)c(C(=O)N(CCC#N)Cc2ccccn2)c1 ZINC000069769540 564172021 /nfs/dbraw/zinc/17/20/21/564172021.db2.gz KPHJBVPULULUEO-UHFFFAOYSA-N 0 0 345.855 4.013 50 30 EIEARN CS[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000071799772 564175513 /nfs/dbraw/zinc/17/55/13/564175513.db2.gz REGICQMLLRQRBO-DTWKUNHWSA-N 0 0 338.404 4.016 50 30 EIEARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000035176024 1018901924 /nfs/dbraw/zinc/90/19/24/1018901924.db2.gz VOOGSFQVRATPLY-BAQGIRSFSA-N 0 0 332.699 4.053 50 30 EIEARN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N[C@H]1CCCc2sccc21 ZINC000329322963 1022850102 /nfs/dbraw/zinc/85/01/02/1022850102.db2.gz HHEVAUIODGETBK-PZSREKOKSA-N 0 0 328.437 4.151 50 30 EIEARN O=C(/C=C/c1ccc(OC(=O)c2cccnc2)cc1)c1ccccc1 ZINC000005073914 1025271203 /nfs/dbraw/zinc/27/12/03/1025271203.db2.gz RSTMLMQPNKQHPM-JLHYYAGUSA-N 0 0 329.355 4.197 50 30 EIEARN CCCCOC(=O)N(CCC)OC(=O)Nc1ccc(Cl)cc1 ZINC000002896811 1026915286 /nfs/dbraw/zinc/91/52/86/1026915286.db2.gz UUDYJCKHLRMQRD-UHFFFAOYSA-N 0 0 328.796 4.452 50 30 EIEARN CC(C)(C)c1ncc(/C=C\C(=O)c2ccc(OC(F)F)cc2)cn1 ZINC000606444224 1030475721 /nfs/dbraw/zinc/47/57/21/1030475721.db2.gz SWOVKIXWXQEJHF-WTKPLQERSA-N 0 0 332.350 4.272 50 30 EIEARN Cc1c(N=Cc2ccc(C(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000254616791 1035826999 /nfs/dbraw/zinc/82/69/99/1035826999.db2.gz VBEGJFKKGYNONM-UHFFFAOYSA-N 0 0 333.435 4.358 50 30 EIEARN CC(=O)Nc1cccc(C(=O)/C=C/c2cccc(Br)c2)c1 ZINC000006341118 1036930367 /nfs/dbraw/zinc/93/03/67/1036930367.db2.gz GVDXYMLLTJZZNB-CMDGGOBGSA-N 0 0 344.208 4.304 50 30 EIEARN C#CCOC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1 ZINC000058818761 1038101766 /nfs/dbraw/zinc/10/17/66/1038101766.db2.gz KRWMIGQMOGHYJT-PFONDFGASA-N 0 0 343.382 4.495 50 30 EIEARN N#Cc1cc2c(nc1NC(=O)/C=C/c1cccc3ccccc13)CCC2 ZINC000084598236 1041234023 /nfs/dbraw/zinc/23/40/23/1041234023.db2.gz GYBQTKVMAJVCST-VAWYXSNFSA-N 0 0 339.398 4.247 50 30 EIEARN CCCCCOc1cc(/C=C\C(=O)c2cc(C)on2)ccc1OC ZINC000606441419 1043066693 /nfs/dbraw/zinc/06/66/93/1043066693.db2.gz LZIVLBCGENMDON-CLFYSBASSA-N 0 0 329.396 4.457 50 30 EIEARN CCn1nccc1/C=C1\CCCc2cc(Br)ccc2C1=O ZINC000585082980 1049392734 /nfs/dbraw/zinc/39/27/34/1049392734.db2.gz HKVVRIJIGCAZCW-ACCUITESSA-N 0 0 345.240 4.268 50 30 EIEARN Clc1ccc(CN2CCN(N=Cc3cccc(Cl)c3)CC2)cc1 ZINC000002214716 1049464565 /nfs/dbraw/zinc/46/45/65/1049464565.db2.gz RUEXXMNYZXDMRT-UHFFFAOYSA-N 0 0 348.277 4.145 50 30 EIEARN C[C@H](CCC#N)CNc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000585116892 1049560799 /nfs/dbraw/zinc/56/07/99/1049560799.db2.gz LQFBOQVKTLBWNV-MRXNPFEDSA-N 0 0 328.460 4.446 50 30 EIEARN C#CCCC1(CCC(=O)N2CCCC[C@@H]2c2ccc(CC)o2)N=N1 ZINC000952881322 1049681478 /nfs/dbraw/zinc/68/14/78/1049681478.db2.gz MJAIDNQCLOUQCA-MRXNPFEDSA-N 0 0 327.428 4.251 50 30 EIEARN C#CCCC1(CCC(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)N=N1 ZINC000952881584 1049682101 /nfs/dbraw/zinc/68/21/01/1049682101.db2.gz OHWDAPBAPHWUFA-HNNXBMFYSA-N 0 0 327.428 4.073 50 30 EIEARN COc1ccc([C@@H]2CC(=O)C=C(Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000004741413 210265065 /nfs/dbraw/zinc/26/50/65/210265065.db2.gz FWLNTIXIXWTFFC-AWEZNQCLSA-N 0 0 338.363 4.046 50 30 EIEARN Oc1ccc(Br)cc1C=NNc1cccc2cccnc21 ZINC000004738329 210263838 /nfs/dbraw/zinc/26/38/38/210263838.db2.gz YODBRDORVMQDHR-VXLYETTFSA-N 0 0 342.196 4.149 50 30 EIEARN O=c1c(/C=N/c2ccccc2)c(Nc2ccccc2)nc2ccccn21 ZINC000004733084 210262298 /nfs/dbraw/zinc/26/22/98/210262298.db2.gz KJIFTZNIUVMAEV-PXLXIMEGSA-N 0 0 340.386 4.189 50 30 EIEARN CC(=O)CSc1nc(-c2cccs2)c2c(c1C#N)CCCC2 ZINC000004702706 210253739 /nfs/dbraw/zinc/25/37/39/210253739.db2.gz CEHZHRAPPKVBSR-UHFFFAOYSA-N 0 0 328.462 4.242 50 30 EIEARN Cc1n[nH]c(C)c1Cc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004699504 210251742 /nfs/dbraw/zinc/25/17/42/210251742.db2.gz PXEBYRPISMMXEM-UDWIEESQSA-N 0 0 334.379 4.276 50 30 EIEARN COc1ccc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc1 ZINC000004696377 210250482 /nfs/dbraw/zinc/25/04/82/210250482.db2.gz GRHHOCAIHZVVHB-BOPFTXTBSA-N 0 0 338.432 4.204 50 30 EIEARN CC(C)=CCC[C@@](C)(O)C#CCN1CCCC[C@@H]1c1cccnc1 ZINC000055231627 214292685 /nfs/dbraw/zinc/29/26/85/214292685.db2.gz AFMPMXZCZYIPAS-NHCUHLMSSA-N 0 0 326.484 4.109 50 30 EIEARN C=CCNC(=O)C[C@H](C)CC(=O)N(c1ccccc1)c1ccccc1 ZINC000004680944 210246490 /nfs/dbraw/zinc/24/64/90/210246490.db2.gz HNRAVAVNIWAMFK-KRWDZBQOSA-N 0 0 336.435 4.070 50 30 EIEARN CCOc1cccc(C/N=C/c2cc(Br)ccc2O)c1 ZINC000057411895 214426373 /nfs/dbraw/zinc/42/63/73/214426373.db2.gz ZINIPUQXDNJDMA-WOJGMQOQSA-N 0 0 334.213 4.173 50 30 EIEARN CCOC(=O)[C@H]1C(=O)C=C2c3ccccc3CC[C@H]2[C@@H]1c1ccccc1 ZINC000004666834 210240989 /nfs/dbraw/zinc/24/09/89/210240989.db2.gz MBEZJVHYCSPIDX-COPCDDAFSA-N 0 0 346.426 4.178 50 30 EIEARN Cc1nc(-c2ccc(C#N)cc2)n(CC(=O)c2ccc(C(C)C)cc2)n1 ZINC000058246337 214515827 /nfs/dbraw/zinc/51/58/27/214515827.db2.gz VRVMFDAUIVKLOR-UHFFFAOYSA-N 0 0 344.418 4.132 50 30 EIEARN O=C(/C=C\c1ccc(F)c(F)c1)c1ccc(-n2cncn2)cc1Cl ZINC000098059455 219075751 /nfs/dbraw/zinc/07/57/51/219075751.db2.gz WJHONZINOQALFB-KXFIGUGUSA-N 0 0 345.736 4.095 50 30 EIEARN CNC(=O)c1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)o2)cc1 ZINC000098056514 219075942 /nfs/dbraw/zinc/07/59/42/219075942.db2.gz UZPFSRNOLWPADF-XFXZXTDPSA-N 0 0 331.371 4.202 50 30 EIEARN COc1ccc(-c2nc(N=NCc3ccc(F)cc3)sc2C)cc1 ZINC000004576886 210224816 /nfs/dbraw/zinc/22/48/16/210224816.db2.gz CKHRFECOMWFREC-RGVLZGJSSA-N 0 0 341.411 4.134 50 30 EIEARN COc1cc(/N=C/c2cc(Cl)ccc2O)c(OC)cc1Cl ZINC000100037541 219089071 /nfs/dbraw/zinc/08/90/71/219089071.db2.gz RCQOXPDGDOZNLS-QGMBQPNBSA-N 0 0 326.179 4.467 50 30 EIEARN Cc1ccc(C(=O)C(C=O)=NNc2cc(Cl)cc(Cl)c2)cc1 ZINC000100134066 219092453 /nfs/dbraw/zinc/09/24/53/219092453.db2.gz KEOWVVRPEALJMX-HMMYKYKNSA-N 0 0 335.190 4.152 50 30 EIEARN C=C(C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004385016 210185450 /nfs/dbraw/zinc/18/54/50/210185450.db2.gz JDOUMKSECXEDJS-HNNXBMFYSA-N 0 0 349.409 4.272 50 30 EIEARN Cc1ccc(S(=O)(=O)O[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000004200336 210145579 /nfs/dbraw/zinc/14/55/79/210145579.db2.gz LUFVVEPVDDTGQU-LBPRGKRZSA-N 0 0 333.434 4.071 50 30 EIEARN C=CCSc1nc2sc3c(c2c(=O)n1CCCC)CCCC3 ZINC000004141973 210131013 /nfs/dbraw/zinc/13/10/13/210131013.db2.gz JWOXSKCBSSKVAR-UHFFFAOYSA-N 0 0 334.510 4.415 50 30 EIEARN CC(C)(C)C(=O)C1=C(C(C)(C)C)O[C@@](C)(c2ccccc2)OC1=O ZINC000004114198 210123215 /nfs/dbraw/zinc/12/32/15/210123215.db2.gz QSQGXJKMYBNWGN-HXUWFJFHSA-N 0 0 330.424 4.348 50 30 EIEARN Fc1c(Cl)cccc1CON=CNc1ncnc2sccc21 ZINC000004013864 210099946 /nfs/dbraw/zinc/09/99/46/210099946.db2.gz CMPIWFJDSSCHCC-UHFFFAOYSA-N 0 0 336.779 4.056 50 30 EIEARN Fc1ccc(-c2n[nH]cc2/C=N/OCc2ccc(Cl)cc2)cc1 ZINC000004003086 210098793 /nfs/dbraw/zinc/09/87/93/210098793.db2.gz BPWONLYWPVTRRW-UFFVCSGVSA-N 0 0 329.762 4.420 50 30 EIEARN COc1ccc([C@H](C#N)N2N=C(C)C[C@H]2c2ccccc2)cc1OC ZINC000003902325 210088580 /nfs/dbraw/zinc/08/85/80/210088580.db2.gz 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ZINC000069514315 215452057 /nfs/dbraw/zinc/45/20/57/215452057.db2.gz GSPYSLKOFHMCAA-UHFFFAOYSA-N 0 0 349.390 4.041 50 30 EIEARN Cc1ccc(N(CCC#N)C(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC000069587707 215486783 /nfs/dbraw/zinc/48/67/83/215486783.db2.gz NXRKURTZYPUJMF-UHFFFAOYSA-N 0 0 342.402 4.013 50 30 EIEARN N#Cc1ccc(-c2csc(NC(=O)NCc3cccs3)n2)cc1 ZINC000038550342 213214683 /nfs/dbraw/zinc/21/46/83/213214683.db2.gz TWSFMVJNJFZRQA-UHFFFAOYSA-N 0 0 340.433 4.065 50 30 EIEARN C=CCc1cccc2cc(C(=O)Nc3ccc(Cl)cc3)c(=O)oc21 ZINC000000458637 209612163 /nfs/dbraw/zinc/61/21/63/209612163.db2.gz YJSXAYJBNAZLLV-UHFFFAOYSA-N 0 0 339.778 4.427 50 30 EIEARN COc1ccc(-c2cc(-c3cccc(F)c3)nc(N)c2C#N)cc1OC ZINC000033724184 212962339 /nfs/dbraw/zinc/96/23/39/212962339.db2.gz GDRROZJEXWIOGB-UHFFFAOYSA-N 0 0 349.365 4.026 50 30 EIEARN CCOc1ccc(/C=C2/CCc3cc(OC)ccc3C2=O)cc1OC ZINC000033827741 212966143 /nfs/dbraw/zinc/96/61/43/212966143.db2.gz UMHPOZBAQCMRPD-WJDWOHSUSA-N 0 0 338.403 4.315 50 30 EIEARN CCN(Cc1ccc(Br)s1)C(=O)c1cccc(C#N)c1 ZINC000032721774 212830045 /nfs/dbraw/zinc/83/00/45/212830045.db2.gz CRVLJFQBIACKHP-UHFFFAOYSA-N 0 0 349.253 4.045 50 30 EIEARN C=CCOc1cc(C(=O)NCc2ccccc2F)cc2occc21 ZINC000072240227 216079907 /nfs/dbraw/zinc/07/99/07/216079907.db2.gz JZYMXRKOSHFWTI-UHFFFAOYSA-N 0 0 325.339 4.067 50 30 EIEARN N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O ZINC000030691797 212706807 /nfs/dbraw/zinc/70/68/07/212706807.db2.gz PRMWGUBFXWROHD-UHFFFAOYSA-N 0 0 349.393 4.438 50 30 fda EIEARN N#Cc1cnn2c1nc(-c1ccc3ccccc3c1)cc2C(F)(F)F ZINC000000374362 209557699 /nfs/dbraw/zinc/55/76/99/209557699.db2.gz WHXXEVZHBQLZGB-UHFFFAOYSA-N 0 0 338.292 4.440 50 30 EIEARN COc1ccc(Nc2nc3c(C)cc(C)cc3cc2C#N)c(OC)c1 ZINC000000349937 209545230 /nfs/dbraw/zinc/54/52/30/209545230.db2.gz ZFVMBDJTARIGTL-UHFFFAOYSA-N 0 0 333.391 4.484 50 30 EIEARN CC(=C1C(=O)c2ccccc2C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000000193809 209477337 /nfs/dbraw/zinc/47/73/37/209477337.db2.gz WMBFTHWLGQMQCO-UHFFFAOYSA-N 0 0 345.442 4.294 50 30 EIEARN COc1c(Cl)scc1C(=O)O/N=C/c1c(F)cccc1Cl ZINC000000165901 209460992 /nfs/dbraw/zinc/46/09/92/209460992.db2.gz NOUMBSSDJWTBIK-YAXRCOADSA-N 0 0 348.182 4.394 50 30 EIEARN COc1ccccc1OCc1nc(C#N)c(NCc2ccc(C)cc2)o1 ZINC000000108125 209425010 /nfs/dbraw/zinc/42/50/10/209425010.db2.gz JMIURZFZVOTHOX-UHFFFAOYSA-N 0 0 349.390 4.054 50 30 EIEARN Cc1c(/N=C/c2c(F)cccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000000059877 209394515 /nfs/dbraw/zinc/39/45/15/209394515.db2.gz RECNKXZDSGMFQW-SRZZPIQSSA-N 0 0 343.789 4.028 50 30 EIEARN COc1ccc(Cl)cc1NCc1c(C#N)c2ccccc2n1C ZINC000000053663 209391978 /nfs/dbraw/zinc/39/19/78/209391978.db2.gz LRPIQILYADMPRB-UHFFFAOYSA-N 0 0 325.799 4.324 50 30 EIEARN Cc1nc(SCC(=O)c2ccc(F)cc2)c(C#N)c2c1CCCC2 ZINC000000048855 209389553 /nfs/dbraw/zinc/38/95/53/209389553.db2.gz SRAQMSGEVRQDCT-UHFFFAOYSA-N 0 0 340.423 4.255 50 30 EIEARN Cc1ccc(/N=C/c2ccc(C#N)cc2)cc1I ZINC000000048567 209389196 /nfs/dbraw/zinc/38/91/96/209389196.db2.gz FBJGUAJRIKVDBW-VCHYOVAHSA-N 0 0 346.171 4.222 50 30 EIEARN N#Cc1ccccc1-c1ccccc1C(=O)NOCc1ccccc1 ZINC000025039496 212456154 /nfs/dbraw/zinc/45/61/54/212456154.db2.gz DYDNLZWAYPZPAQ-UHFFFAOYSA-N 0 0 328.371 4.087 50 30 EIEARN N#CCOc1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 ZINC000023149928 212356182 /nfs/dbraw/zinc/35/61/82/212356182.db2.gz UAHAYVVRJBLNNG-UHFFFAOYSA-N 0 0 346.386 4.005 50 30 EIEARN CCOc1ccc(-c2cc3c(SCC#N)nccn3n2)cc1Cl ZINC000023126597 212350498 /nfs/dbraw/zinc/35/04/98/212350498.db2.gz MKYYHEHSCPKMTH-UHFFFAOYSA-N 0 0 344.827 4.064 50 30 EIEARN N#Cc1ccc(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000022370742 212293939 /nfs/dbraw/zinc/29/39/39/212293939.db2.gz RUQBLZCQTCXOBG-UHFFFAOYSA-N 0 0 348.383 4.091 50 30 EIEARN Cc1ccccc1[C@H]1CCN(C(=O)c2cccc(C#N)c2)CCS1 ZINC000219286024 241374558 /nfs/dbraw/zinc/37/45/58/241374558.db2.gz NINOXQORRYKHGJ-LJQANCHMSA-N 0 0 336.460 4.187 50 30 EIEARN COc1ccc([C@H](Nc2ccc([N+](=O)[O-])cc2C#N)C(C)C)cc1 ZINC000021673757 212239299 /nfs/dbraw/zinc/23/92/99/212239299.db2.gz 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/nfs/dbraw/zinc/39/37/92/211393792.db2.gz RRBLPJXZIVCJAL-UHFFFAOYSA-N 0 0 337.492 4.434 50 30 EIEARN CC1(C)Cc2nc(-c3ccccc3)nc(SCCCC#N)c2CO1 ZINC000012384533 211363128 /nfs/dbraw/zinc/36/31/28/211363128.db2.gz MHLFGBRGFASTLX-UHFFFAOYSA-N 0 0 339.464 4.391 50 30 EIEARN CN(C)/C=C\C(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1 ZINC000012340086 211352385 /nfs/dbraw/zinc/35/23/85/211352385.db2.gz TTWCBSZHMSVJBI-KHPPLWFESA-N 0 0 326.783 4.262 50 30 EIEARN CC(C)(C)OC(=O)N1CCC[C@@](C=O)(Cc2ccc(Cl)cc2)C1 ZINC000012336542 211351035 /nfs/dbraw/zinc/35/10/35/211351035.db2.gz UONHSCPAZDKZHV-GOSISDBHSA-N 0 0 337.847 4.099 50 30 EIEARN N#Cc1ccccc1CSc1nnc(NC2CCCCC2)s1 ZINC000011292524 211210377 /nfs/dbraw/zinc/21/03/77/211210377.db2.gz MSSBRCRWYJXYTE-UHFFFAOYSA-N 0 0 330.482 4.447 50 30 EIEARN C[C@@H](Sc1ccccn1)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000011225685 211209095 /nfs/dbraw/zinc/20/90/95/211209095.db2.gz ZMMMJBDXLJPZME-QFGUUYLXSA-N 0 0 338.476 4.443 50 30 EIEARN Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(C#N)c3)o2)cc1C ZINC000011459698 211218118 /nfs/dbraw/zinc/21/81/18/211218118.db2.gz KQAHOAUMHCPMBB-UHFFFAOYSA-N 0 0 345.402 4.401 50 30 EIEARN N#Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000010461637 211174134 /nfs/dbraw/zinc/17/41/34/211174134.db2.gz UGMAEHQAHQMNCY-UHFFFAOYSA-N 0 0 341.370 4.063 50 30 EIEARN COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC#N ZINC000010388086 211170538 /nfs/dbraw/zinc/17/05/38/211170538.db2.gz FHDFBOANAGWXAW-UHFFFAOYSA-N 0 0 346.386 4.312 50 30 EIEARN C[C@@H](C(=O)N(C)CCC#N)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000009547776 211101848 /nfs/dbraw/zinc/10/18/48/211101848.db2.gz RVWQDRLCOOLCEC-GFCCVEGCSA-N 0 0 339.826 4.450 50 30 EIEARN N#CCc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000009614004 211109686 /nfs/dbraw/zinc/10/96/86/211109686.db2.gz NKRKRZKGRPLZOE-UHFFFAOYSA-N 0 0 327.387 4.431 50 30 EIEARN COc1ccc(C(=O)Nc2sc(CC#N)nc2-c2ccccc2)cc1 ZINC000008917125 211018906 /nfs/dbraw/zinc/01/89/06/211018906.db2.gz PLJANPQNLDZVBY-UHFFFAOYSA-N 0 0 349.415 4.137 50 30 EIEARN CC(C)CNC(=O)c1ccc(NCCCC(C)(C)C#N)cc1Cl ZINC000095410373 218347080 /nfs/dbraw/zinc/34/70/80/218347080.db2.gz UUIJSORTMGJDEI-UHFFFAOYSA-N 0 0 335.879 4.468 50 30 EIEARN N#Cc1c2c(sc1NC(=O)c1ccc3ccccc3n1)CCCC2 ZINC000008343734 210940303 /nfs/dbraw/zinc/94/03/03/210940303.db2.gz MCNXWMOLPNJNJZ-UHFFFAOYSA-N 0 0 333.416 4.299 50 30 EIEARN CCc1ccc(Cl)c(CC)c1NC(=O)COc1ccc(C#N)cc1 ZINC000006941877 210747295 /nfs/dbraw/zinc/74/72/95/210747295.db2.gz ZETGMRCYUMNYJK-UHFFFAOYSA-N 0 0 342.826 4.354 50 30 EIEARN N#Cc1ccccc1CSc1nnc2c(Cl)cc(Cl)cn12 ZINC000006607597 210661631 /nfs/dbraw/zinc/66/16/31/210661631.db2.gz QJXRTHOFYJHZTA-UHFFFAOYSA-N 0 0 335.219 4.200 50 30 EIEARN C[C@H]1CCc2c(sc3nc(SCC#N)nc(SCC#N)c32)C1 ZINC000006510563 210644566 /nfs/dbraw/zinc/64/45/66/210644566.db2.gz MOLAMZHLACJVGL-VIFPVBQESA-N 0 0 346.506 4.047 50 30 EIEARN CC[C@H](C)CN(C)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC000096422067 218789092 /nfs/dbraw/zinc/78/90/92/218789092.db2.gz MMXUPOMAHBKXIA-AWEZNQCLSA-N 0 0 338.411 4.255 50 30 EIEARN CNc1ccccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)c1=O ZINC000005741812 210527987 /nfs/dbraw/zinc/52/79/87/210527987.db2.gz DWZQLMVAPYSVIT-VQHVLOKHSA-N 0 0 334.202 4.291 50 30 EIEARN CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O ZINC000005689892 210517401 /nfs/dbraw/zinc/51/74/01/210517401.db2.gz OVIYYKOJGXVXOA-MFOYZWKCSA-N 0 0 326.323 4.003 50 30 EIEARN N#Cc1ccc(COC(=O)/C=C\c2cccc3cccnc23)c(F)c1 ZINC000096973088 218907162 /nfs/dbraw/zinc/90/71/62/218907162.db2.gz IEJUZTRTBHJCAA-HJWRWDBZSA-N 0 0 332.334 4.002 50 30 EIEARN COc1ccc2c(c1)CC/C2=N\OC(=O)c1cccc2ccccc21 ZINC000005060230 210378542 /nfs/dbraw/zinc/37/85/42/210378542.db2.gz CAXUYLOJXGBFJL-LSDHQDQOSA-N 0 0 331.371 4.356 50 30 EIEARN CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC(=O)c1cc3ccccc3oc1=O)C2 ZINC000005071858 210383210 /nfs/dbraw/zinc/38/32/10/210383210.db2.gz BGDRJDNVQAQSNL-AOCGRWNHSA-N 0 0 339.391 4.152 50 30 EIEARN CC(=O)Nc1sc(N=NCc2ccco2)nc1-c1ccc(C)cc1 ZINC000004981734 210348298 /nfs/dbraw/zinc/34/82/98/210348298.db2.gz YNZOTPSNEGSNMX-VCHYOVAHSA-N 0 0 340.408 4.116 50 30 EIEARN C=CCSC1=N/C(=C\c2ccc(Br)cc2)C(=O)S1 ZINC000004845581 210297133 /nfs/dbraw/zinc/29/71/33/210297133.db2.gz AEOHCOCIZIGEEH-FLIBITNWSA-N 0 0 340.267 4.339 50 30 EIEARN N#CCCn1c2ccccc2c2cc(I)ccc21 ZINC000004797644 210280449 /nfs/dbraw/zinc/28/04/49/210280449.db2.gz CNRZQUHXKUCNHR-UHFFFAOYSA-N 0 0 346.171 4.313 50 30 EIEARN COc1cccc(/C=C\C(=O)Nc2ccccc2SCCC#N)c1 ZINC000221745636 257840550 /nfs/dbraw/zinc/84/05/50/257840550.db2.gz BXMGTTJAOYALPF-KHPPLWFESA-N 0 0 338.432 4.353 50 30 EIEARN O=C(Cc1cccnc1)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000328599703 258041075 /nfs/dbraw/zinc/04/10/75/258041075.db2.gz SXVDMCXVFQPHRD-UHFFFAOYSA-N 0 0 341.317 4.378 50 30 EIEARN CC[C@@H](CCO)NC(=O)C(C)(C)c1csc(-c2cccs2)n1 ZINC000330032263 258002460 /nfs/dbraw/zinc/00/24/60/258002460.db2.gz KFNXEYDTYSSGDU-NSHDSACASA-N 0 0 338.498 4.267 50 30 EIEARN Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O ZINC000005148449 258002981 /nfs/dbraw/zinc/00/29/81/258002981.db2.gz XVFNWAXANOSAJQ-ODLFYWEKSA-N 0 0 346.338 4.423 50 30 EIEARN CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O ZINC000009420049 258003016 /nfs/dbraw/zinc/00/30/16/258003016.db2.gz QNABDCIACGCRHX-WJDWOHSUSA-N 0 0 343.404 4.205 50 30 EIEARN CCOc1c(Cl)cc(CNC(=O)c2cc[nH]c2C2CC2)cc1OC ZINC000330031623 258003037 /nfs/dbraw/zinc/00/30/37/258003037.db2.gz BGOHHFWHFKMGGZ-UHFFFAOYSA-N 0 0 348.830 4.458 50 30 EIEARN CC(=O)c1ccc(C(=O)N(CC#Cc2ccccc2)CC(C)C)s1 ZINC000055036965 258014693 /nfs/dbraw/zinc/01/46/93/258014693.db2.gz CZQLTNUVTDHCPG-UHFFFAOYSA-N 0 0 339.460 4.101 50 30 EIEARN C=C(C)CN(CC)C(=O)c1csc2nc(-c3cccc(F)c3)cn12 ZINC000012300755 258017099 /nfs/dbraw/zinc/01/70/99/258017099.db2.gz RKJUHLALCRGVHR-UHFFFAOYSA-N 0 0 343.427 4.240 50 30 EIEARN C=CCN(C(=O)c1ccc2ccccc2n1)c1nc2c(s1)CCCC2 ZINC000015968969 258017159 /nfs/dbraw/zinc/01/71/59/258017159.db2.gz KHWDQKAYAPWFOZ-UHFFFAOYSA-N 0 0 349.459 4.403 50 30 EIEARN C=C(C)C(=O)Nc1ccc2cc(-c3ccccc3)c(=O)n(CC)c2c1 ZINC000002171047 258017493 /nfs/dbraw/zinc/01/74/93/258017493.db2.gz LOIFWFLTPXMOFR-UHFFFAOYSA-N 0 0 332.403 4.203 50 30 EIEARN C=C(C)COc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1OC ZINC000009822794 258017963 /nfs/dbraw/zinc/01/79/63/258017963.db2.gz ROFVYRQJSFUANH-OAHLLOKOSA-N 0 0 341.407 4.056 50 30 EIEARN C=CCNc1nnc(SCCCOc2ccc(Cl)cc2)s1 ZINC000007838191 258018106 /nfs/dbraw/zinc/01/81/06/258018106.db2.gz WGPPSYLSFCWUTH-UHFFFAOYSA-N 0 0 341.889 4.351 50 30 EIEARN C=CCC(=O)N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000012072455 258018186 /nfs/dbraw/zinc/01/81/86/258018186.db2.gz HMMDRGLZFDPTSS-HXUWFJFHSA-N 0 0 335.447 4.012 50 30 EIEARN CCCCCCCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000002318321 258049692 /nfs/dbraw/zinc/04/96/92/258049692.db2.gz AZJHJZXGEFNJKR-UHFFFAOYSA-N 0 0 345.270 4.409 50 30 EIEARN COc1cc(/C=C/C(=O)c2ccc(N3CCCC3)c(F)c2)ccc1O ZINC000032639090 258058538 /nfs/dbraw/zinc/05/85/38/258058538.db2.gz XACFFOGIGGPAFJ-XBXARRHUSA-N 0 0 341.382 4.036 50 30 EIEARN CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@]4(C)CC(=O)C=C[C@@H]4[C@H]3CC[C@@]21C ZINC000257346575 258073663 /nfs/dbraw/zinc/07/36/63/258073663.db2.gz SYCFUMIHMFWFGR-YMJVXHRNSA-N 0 0 330.468 4.306 50 30 EIEARN Cc1ccc(C(=O)Nc2sc(CC#N)nc2-c2ccccc2)cc1 ZINC000170623659 226663807 /nfs/dbraw/zinc/66/38/07/226663807.db2.gz OSMOVOXOUIWHJQ-UHFFFAOYSA-N 0 0 333.416 4.437 50 30 EIEARN Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)c1cccc([N+](=O)[O-])c1 ZINC000007740607 262519863 /nfs/dbraw/zinc/51/98/63/262519863.db2.gz WVOLRSWLTOIPKI-BQYQJAHWSA-N 0 0 347.802 4.305 50 30 EIEARN C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000004199481 518413862 /nfs/dbraw/zinc/41/38/62/518413862.db2.gz OXAQEGPGLKNUSF-WOKGKLDWSA-N 0 0 338.319 4.189 50 30 EIEARN C=CCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)CC ZINC000036107089 518795034 /nfs/dbraw/zinc/79/50/34/518795034.db2.gz UDOQFIHDZNLPFX-UHFFFAOYSA-N 0 0 344.480 4.264 50 30 EIEARN C=CCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)CC ZINC000036114341 518796013 /nfs/dbraw/zinc/79/60/13/518796013.db2.gz GXZURAQFTSTVJF-UHFFFAOYSA-N 0 0 344.480 4.264 50 30 EIEARN C=CCn1cc(CN[C@@H](c2nc3cc(C)ccc3[nH]2)C(C)C)c(C)n1 ZINC000055341182 519282921 /nfs/dbraw/zinc/28/29/21/519282921.db2.gz TZKLVFPCUACGDK-LJQANCHMSA-N 0 0 337.471 4.049 50 30 EIEARN CCCCC(=O)O/N=C/c1c(-c2ccccc2)nc2sccn12 ZINC000003041154 519915349 /nfs/dbraw/zinc/91/53/49/519915349.db2.gz SEGLHIHXFJCEPH-LDADJPATSA-N 0 0 327.409 4.130 50 30 EIEARN CCOc1cc(C=Nc2ccc(NC(C)=O)cc2)cc(Cl)c1OC ZINC000250367554 520691653 /nfs/dbraw/zinc/69/16/53/520691653.db2.gz AAFOWNFHRFSSJV-UHFFFAOYSA-N 0 0 346.814 4.456 50 30 EIEARN COc1ccc(/C=C/C(=O)c2ccc(OCC(C)C)cc2)cc1O ZINC000006952039 523402135 /nfs/dbraw/zinc/40/21/35/523402135.db2.gz BANDOMHRWVRABQ-ONNFQVAWSA-N 0 0 326.392 4.332 50 30 EIEARN COc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1OC ZINC000016948561 523445690 /nfs/dbraw/zinc/44/56/90/523445690.db2.gz BSEPFHLJLCBUOA-YBFXNURJSA-N 0 0 339.420 4.273 50 30 EIEARN Cc1cccc(CN=Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000031854385 524156674 /nfs/dbraw/zinc/15/66/74/524156674.db2.gz WRHNBVUCHGJNSP-ZDLGFXPLSA-N 0 0 338.392 4.473 50 30 EIEARN COc1ccc(OC)c(CN=Nc2nc(-c3cccs3)cs2)c1 ZINC000004746629 524803454 /nfs/dbraw/zinc/80/34/54/524803454.db2.gz JAUXLDOCEMKUFZ-RQZCQDPDSA-N 0 0 345.449 4.335 50 30 EIEARN COc1ccc2c(c1)/C(=N/OC(=O)c1ccccc1SC)CCC2 ZINC000000062039 525506016 /nfs/dbraw/zinc/50/60/16/525506016.db2.gz LSHBXTHSKUCRFO-LVZFUZTISA-N 0 0 341.432 4.315 50 30 EIEARN COc1cccc(-c2cc(N=C(NCc3ccco3)SC)[nH]n2)c1 ZINC000004943049 525704654 /nfs/dbraw/zinc/70/46/54/525704654.db2.gz AOHRNYWBBACYMF-UHFFFAOYSA-N 0 0 342.424 4.009 50 30 EIEARN Cc1ccc(-c2nn(CCC#N)cc2C(=O)Oc2ccccc2)cc1C ZINC000005068664 525840753 /nfs/dbraw/zinc/84/07/53/525840753.db2.gz PHXIROMENJZVLW-UHFFFAOYSA-N 0 0 345.402 4.300 50 30 EIEARN Cc1ccc([C@H](NC(=O)[C@@H]2Cc3ccccc3O2)c2ccccn2)cc1 ZINC000328586532 525872136 /nfs/dbraw/zinc/87/21/36/525872136.db2.gz OABPVCCGGUBRCT-SFTDATJTSA-N 0 0 344.414 4.440 50 30 EIEARN Cc1cnc(CNC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)s1 ZINC000328590153 525985889 /nfs/dbraw/zinc/98/58/89/525985889.db2.gz WPAHOMGISRFHSB-INIZCTEOSA-N 0 0 349.843 4.145 50 30 EIEARN C[C@H](CC(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000041556527 526253264 /nfs/dbraw/zinc/25/32/64/526253264.db2.gz YTSMFGQLQYDWEA-IUODEOHRSA-N 0 0 332.325 4.470 50 30 EIEARN N#CCCn1cc(C(=O)COc2ccc(F)cc2F)c2ccccc21 ZINC000012610063 526467036 /nfs/dbraw/zinc/46/70/36/526467036.db2.gz GRBKEJGRANXYQD-UHFFFAOYSA-N 0 0 340.329 4.095 50 30 EIEARN N#CCOC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000003476364 526473776 /nfs/dbraw/zinc/47/37/76/526473776.db2.gz WFHVKQOUJJASKX-UHFFFAOYSA-N 0 0 336.174 4.253 50 30 EIEARN Cn1cc(C(=O)/C=C/c2ccc(COc3ccc(Cl)cc3)o2)cn1 ZINC000006925518 527151506 /nfs/dbraw/zinc/15/15/06/527151506.db2.gz YKTNLJKFNQQHHU-CMDGGOBGSA-N 0 0 342.782 4.142 50 30 EIEARN CN(C)/C=C/C(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000000123756 563235850 /nfs/dbraw/zinc/23/58/50/563235850.db2.gz OAAYFUMERHQNLE-BQYQJAHWSA-N 0 0 326.343 4.087 50 30 EIEARN CC1(C)CC(=O)C=C(SCC(=O)Nc2ccc(Cl)cc2)S1 ZINC000000126034 563236584 /nfs/dbraw/zinc/23/65/84/563236584.db2.gz MWPAWGJHCSKYHN-UHFFFAOYSA-N 0 0 341.885 4.338 50 30 EIEARN O=C1CC(c2ccccc2)CC(=O)C1=CNc1ccc(Cl)cc1 ZINC000000125720 563236591 /nfs/dbraw/zinc/23/65/91/563236591.db2.gz WSNOMGCXCMXPNC-UHFFFAOYSA-N 0 0 325.795 4.352 50 30 EIEARN Cc1cc(N2CCCCC2)ccc1C=C1C(=O)c2ccccc2C1=O ZINC000000317739 563283402 /nfs/dbraw/zinc/28/34/02/563283402.db2.gz XJBAJCLJKGOALD-UHFFFAOYSA-N 0 0 331.415 4.448 50 30 EIEARN Clc1ccc(N2CCN(/N=C/c3ccccc3Cl)CC2)cc1 ZINC000001740211 563408943 /nfs/dbraw/zinc/40/89/43/563408943.db2.gz OFPNZPDVUPBOTR-DEDYPNTBSA-N 0 0 334.250 4.150 50 30 EIEARN O=C(O/N=C/c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000003152463 563474873 /nfs/dbraw/zinc/47/48/73/563474873.db2.gz LXILGMXRNYBFQK-CAOOACKPSA-N 0 0 339.134 4.093 50 30 EIEARN Cc1ccc(N2CCN(/N=C\c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000005009171 563518607 /nfs/dbraw/zinc/51/86/07/563518607.db2.gz YMVYNCROCCQKOP-QJOMJCCJSA-N 0 0 335.495 4.449 50 30 EIEARN CC(=O)[C@H]1[C@H](C#N)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000006507047 563570885 /nfs/dbraw/zinc/57/08/85/563570885.db2.gz VSBHRRMYCDQLJF-ZDNYCOCVSA-N 0 0 341.495 4.265 50 30 in-vitro EIEARN CNc1ccccc(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)c1=O ZINC000007089650 563595309 /nfs/dbraw/zinc/59/53/09/563595309.db2.gz LSWNYXITEIPWOK-VOTSOKGWSA-N 0 0 334.202 4.291 50 30 EIEARN CCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccc(O)c1 ZINC000008438747 563630506 /nfs/dbraw/zinc/63/05/06/563630506.db2.gz LGNNLUMVRJYMKM-GOSISDBHSA-N 0 0 345.439 4.037 50 30 EIEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N1C(=O)c3ccccc3[C@H]21 ZINC000008671444 563634966 /nfs/dbraw/zinc/63/49/66/563634966.db2.gz NVMSWIDDCFQLBN-HXUWFJFHSA-N 0 0 344.414 4.457 50 30 EIEARN CN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000032616094 563668043 /nfs/dbraw/zinc/66/80/43/563668043.db2.gz XBNZVAQRSHTFHG-UHFFFAOYSA-N 0 0 334.463 4.447 50 30 EIEARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1ccc(O)cc1 ZINC000013841698 563726009 /nfs/dbraw/zinc/72/60/09/563726009.db2.gz BTDQWRKOQJWJPO-RELWKKBWSA-N 0 0 332.403 4.364 50 30 EIEARN C(=NNc1cccc2cccnc21)c1cnc(-c2ccccc2)nc1 ZINC000013957156 563733108 /nfs/dbraw/zinc/73/31/08/563733108.db2.gz XWISHUBWYJWFFV-ZVHZXABRSA-N 0 0 325.375 4.138 50 30 EIEARN CC(N=Nc1ncnc2ccccc21)c1ccc(Br)cc1 ZINC000004536789 563760491 /nfs/dbraw/zinc/76/04/91/563760491.db2.gz YFMUHZJNFGBSQU-RGVLZGJSSA-N 0 0 341.212 4.228 50 30 EIEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3cccc(F)c3)S2)cc1C ZINC000016663076 563819664 /nfs/dbraw/zinc/81/96/64/563819664.db2.gz CPUAANYZVCYUAM-YBEGLDIGSA-N 0 0 326.396 4.334 50 30 EIEARN CCCCCc1nnc(NC(=O)C(=O)c2c[nH]c3ccccc32)s1 ZINC000017042943 563829820 /nfs/dbraw/zinc/82/98/20/563829820.db2.gz JUFJPNGETXBSRG-UHFFFAOYSA-N 0 0 342.424 4.223 50 30 EIEARN Cn1ccc(C(=O)/C=C\c2ccc(COc3cccc(Cl)c3)o2)n1 ZINC000017071616 563834981 /nfs/dbraw/zinc/83/49/81/563834981.db2.gz YUUVXWXGQNTJPL-FPLPWBNLSA-N 0 0 342.782 4.142 50 30 EIEARN CN(CCC#N)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000057995853 563936294 /nfs/dbraw/zinc/93/62/94/563936294.db2.gz NZUWFRILZLYUKP-UHFFFAOYSA-N 0 0 332.325 4.358 50 30 EIEARN Cc1cc(NC(=O)c2oc3c(c2C)c(C)ccc3C)n(CCC#N)n1 ZINC000058226689 563940363 /nfs/dbraw/zinc/94/03/63/563940363.db2.gz SORDRKFJJRDRMT-UHFFFAOYSA-N 0 0 336.395 4.029 50 30 EIEARN C[C@@H](C#N)CN(C)c1nc(C2CC2)nc2sc3c(c21)CCCC3 ZINC000058406808 563945065 /nfs/dbraw/zinc/94/50/65/563945065.db2.gz NKQZSMBMNUZGHE-NSHDSACASA-N 0 0 326.469 4.043 50 30 EIEARN COc1ccc(/C=C2\COc3ccccc3C2=O)cc1OCCCC#N ZINC000064367269 563956759 /nfs/dbraw/zinc/95/67/59/563956759.db2.gz FJLHCXBQIYZTPH-FOWTUZBSSA-N 0 0 349.386 4.036 50 30 EIEARN C=C(C)CN(Cc1nc2ccccc2n1CC(=C)C)C(=O)c1ccco1 ZINC000334161348 563962121 /nfs/dbraw/zinc/96/21/21/563962121.db2.gz AIJGRUYTJGIHQT-UHFFFAOYSA-N 0 0 349.434 4.424 50 30 EIEARN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000284112135 563963218 /nfs/dbraw/zinc/96/32/18/563963218.db2.gz YTDZKKCKJDMIDZ-HXUWFJFHSA-N 0 0 346.430 4.056 50 30 EIEARN CC(C)c1ccoc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000284285394 563963326 /nfs/dbraw/zinc/96/33/26/563963326.db2.gz SIUVVPDTUIMQBO-AWEZNQCLSA-N 0 0 347.212 4.160 50 30 EIEARN O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1cc(Cl)ccc1O ZINC000033293484 563973124 /nfs/dbraw/zinc/97/31/24/563973124.db2.gz NQHIVEIJPMHXAF-RIYZIHGNSA-N 0 0 348.786 4.076 50 30 EIEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@@H](c3ccc(F)cc3)[C@@H]12 ZINC000095482968 563976977 /nfs/dbraw/zinc/97/69/77/563976977.db2.gz CMYNHMJHHPXPAW-UYAOXDASSA-N 0 0 345.373 4.232 50 30 EIEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2cccc3ccccc32)n1 ZINC000000098163 563981480 /nfs/dbraw/zinc/98/14/80/563981480.db2.gz RRTWUUPCSLHKAH-UHFFFAOYSA-N 0 0 347.443 4.454 50 30 EIEARN CCOc1ccc(Nc2oc(COc3ccccc3)nc2C#N)cc1 ZINC000000108466 563986584 /nfs/dbraw/zinc/98/65/84/563986584.db2.gz HANVIVXSWFQOAC-UHFFFAOYSA-N 0 0 335.363 4.268 50 30 EIEARN C=CCn1c2ccccc2c2nnc(SCc3ccccc3)nc21 ZINC000000176086 563987658 /nfs/dbraw/zinc/98/76/58/563987658.db2.gz PEHXVHNBYBXGLB-UHFFFAOYSA-N 0 0 332.432 4.458 50 30 EIEARN O=C1/C(=C/c2ccc(N3CCOCC3)cc2)CC[C@H]1C1CCCC1 ZINC000000247885 563989427 /nfs/dbraw/zinc/98/94/27/563989427.db2.gz CGGKXHHIJSCQMB-POLXVDLBSA-N 0 0 325.452 4.076 50 30 EIEARN Cc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-] ZINC000000267658 563989994 /nfs/dbraw/zinc/98/99/94/563989994.db2.gz YUHBRHMBDPXBNP-VXLYETTFSA-N 0 0 325.393 4.466 50 30 EIEARN COc1cc(OC)c(NC2=CC(=O)C(=O)c3ccccc32)cc1Cl ZINC000100332922 563992198 /nfs/dbraw/zinc/99/21/98/563992198.db2.gz FMRWMOBZGCXGAH-MOSHPQCFSA-N 0 0 343.766 4.116 50 30 EIEARN O=C(O/N=C(\c1ccccc1)c1ccncc1)c1ccccc1Cl ZINC000005151713 563994749 /nfs/dbraw/zinc/99/47/49/563994749.db2.gz UQAKAWNXRNJZLI-RELWKKBWSA-N 0 0 336.778 4.344 50 30 EIEARN N#CC1(CCCSc2nc(-c3ccc(F)cc3)c[nH]2)CCOCC1 ZINC000252491839 563997806 /nfs/dbraw/zinc/99/78/06/563997806.db2.gz LWKHLMSZSJATRA-UHFFFAOYSA-N 0 0 345.443 4.408 50 30 EIEARN CCc1ccc(C(C)=NNc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000252627339 563997980 /nfs/dbraw/zinc/99/79/80/563997980.db2.gz RSHZUEHFYMKWDF-UHFFFAOYSA-N 0 0 332.407 4.248 50 30 EIEARN CSCc1cc(C(O)=C(C#N)c2nc3ccccc3[nH]2)ccc1F ZINC000080252189 564001037 /nfs/dbraw/zinc/00/10/37/564001037.db2.gz OXPCPQXMMWBAEP-CYBMUJFWSA-N 0 0 339.395 4.055 50 30 EIEARN COc1cc(C#N)ccc1OCc1ccc(Br)cc1F ZINC000005429858 564003909 /nfs/dbraw/zinc/00/39/09/564003909.db2.gz RNTYEEWDBWWOLH-UHFFFAOYSA-N 0 0 336.160 4.047 50 30 EIEARN N#Cc1ccccc1COC(=O)CCCc1nc2ccccc2s1 ZINC000005221472 564005856 /nfs/dbraw/zinc/00/58/56/564005856.db2.gz AJQHNTJOAMNFFC-UHFFFAOYSA-N 0 0 336.416 4.234 50 30 EIEARN CCOC(=O)c1cnc2c(C#N)cccc2c1Nc1cccc(C)c1 ZINC000017306840 564011561 /nfs/dbraw/zinc/01/15/61/564011561.db2.gz DJDWBZYJFRYLMR-UHFFFAOYSA-N 0 0 331.375 4.335 50 30 EIEARN C=C(C)COc1ccc(-c2n[nH]cc2-c2ccc(OC)cc2)c(O)c1 ZINC000018098944 564018014 /nfs/dbraw/zinc/01/80/14/564018014.db2.gz NMVGQILMABMRCI-UHFFFAOYSA-N 0 0 336.391 4.413 50 30 EIEARN CCCCn1c(C=NN=c2[nH]c3ccccc3[nH]2)nc2ccccc21 ZINC000018227707 564018894 /nfs/dbraw/zinc/01/88/94/564018894.db2.gz VRDUYENILPANKB-DEDYPNTBSA-N 0 0 332.411 4.159 50 30 EIEARN COc1ccc(-c2[nH]c(-c3ccc(OC)cc3)c(C#N)c2C#N)cc1 ZINC000000501310 564019032 /nfs/dbraw/zinc/01/90/32/564019032.db2.gz VKZYHKVTPCEGSO-UHFFFAOYSA-N 0 0 329.359 4.109 50 30 EIEARN CCOc1ccc2c(c1)C(=O)C(=C(C)NCCc1ccccc1)S2 ZINC000101152151 564019216 /nfs/dbraw/zinc/01/92/16/564019216.db2.gz GQKFCPVHVVULPT-XSFVSMFZSA-N 0 0 339.460 4.438 50 30 EIEARN Cc1cccc(N2CCN(C(=S)NC3CCCCC3)CC2)c1C ZINC000013556478 564020242 /nfs/dbraw/zinc/02/02/42/564020242.db2.gz CNGJXPZMLJLNFT-UHFFFAOYSA-N 0 0 331.529 4.044 50 30 EIEARN CC(C)c1ccc(C2=Nc3ncnn3/C2=N/Cc2ccc(F)cc2)cc1 ZINC000102651034 564020419 /nfs/dbraw/zinc/02/04/19/564020419.db2.gz ICHHLUMIYIEATQ-ZBJSNUHESA-N 0 0 347.397 4.122 50 30 EIEARN COc1ccccc1OCc1nc(C#N)c(N[C@@H](C)c2ccccc2)o1 ZINC000000527632 564021275 /nfs/dbraw/zinc/02/12/75/564021275.db2.gz FWOZASBOPBFVQZ-AWEZNQCLSA-N 0 0 349.390 4.307 50 30 EIEARN N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccon2)cc1Cl ZINC000104260656 564023812 /nfs/dbraw/zinc/02/38/12/564023812.db2.gz KUXJJEQVLWCGBD-OAHLLOKOSA-N 0 0 337.766 4.236 50 30 EIEARN N#Cc1cccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000047338315 564026135 /nfs/dbraw/zinc/02/61/35/564026135.db2.gz CUFUNNFQOWFIEN-UHFFFAOYSA-N 0 0 347.374 4.091 50 30 EIEARN CCOc1cc(CNc2cccc(F)c2C#N)ccc1OC(F)F ZINC000047495867 564026403 /nfs/dbraw/zinc/02/64/03/564026403.db2.gz NUZOVASHRLADFV-UHFFFAOYSA-N 0 0 336.313 4.310 50 30 EIEARN N#Cc1ccccc1NC=CC(=O)c1ccc(Br)cc1 ZINC000044843430 564027441 /nfs/dbraw/zinc/02/74/41/564027441.db2.gz CKBSCZZPCPBCMZ-MDZDMXLPSA-N 0 0 327.181 4.129 50 30 EIEARN COc1ccc(C(=O)C=CNc2ccc(F)cc2Cl)cc1OC ZINC000044843684 564027448 /nfs/dbraw/zinc/02/74/48/564027448.db2.gz OZQNWXGOQUMAMP-BQYQJAHWSA-N 0 0 335.762 4.305 50 30 EIEARN N#Cc1c(COC(=O)c2cc3ccccc3s2)cn2ccccc12 ZINC000048300208 564030842 /nfs/dbraw/zinc/03/08/42/564030842.db2.gz UAAUHKDZNOANKO-UHFFFAOYSA-N 0 0 332.384 4.383 50 30 EIEARN CC(=Cc1cccc(Br)c1)C(=O)c1c(C)cc(C)[nH]c1=O ZINC000033248100 564036527 /nfs/dbraw/zinc/03/65/27/564036527.db2.gz NGMGWANNNWSSEZ-FLIBITNWSA-N 0 0 346.224 4.040 50 30 EIEARN CCCc1occc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000342640813 564036631 /nfs/dbraw/zinc/03/66/31/564036631.db2.gz XWFNBOGZPIAILH-LBPRGKRZSA-N 0 0 343.333 4.467 50 30 EIEARN CN1c2ccccc2C(C)(C)/C1=C\C=C1/C(=O)Oc2ccccc2C1=O ZINC000033306283 564036713 /nfs/dbraw/zinc/03/67/13/564036713.db2.gz YLLQGZRQSRCGJQ-WAZQMIMHSA-N 0 0 345.398 4.026 50 30 EIEARN C=CCN1C(=O)S/C(=C\c2ccc(-c3ccccc3C#N)o2)C1=O ZINC000000982526 564053868 /nfs/dbraw/zinc/05/38/68/564053868.db2.gz JQVWZUZTPUUWOI-YBEGLDIGSA-N 0 0 336.372 4.041 50 30 EIEARN COc1cccc(/C=C2/S/C(=N/c3ccc(C)cc3)N(C)C2=O)c1 ZINC000001007848 564053994 /nfs/dbraw/zinc/05/39/94/564053994.db2.gz CZLPUJWLOAOXQB-KFBYJWCXSA-N 0 0 338.432 4.237 50 30 EIEARN C[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000031663437 564057913 /nfs/dbraw/zinc/05/79/13/564057913.db2.gz BGVGAMNOSWSLHC-NSHDSACASA-N 0 0 349.312 4.340 50 30 EIEARN Brc1cccc(CN=Nc2nc3c(s2)CCCC3)c1 ZINC000031854625 564060995 /nfs/dbraw/zinc/06/09/95/564060995.db2.gz WVLJDAUFVWVHMK-SXGWCWSVSA-N 0 0 336.258 4.230 50 30 EIEARN CCC1(CC)C[C@@H]1CNC(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000534587775 564061196 /nfs/dbraw/zinc/06/11/96/564061196.db2.gz JILBUMDBXJFDTH-GOSISDBHSA-N 0 0 339.483 4.080 50 30 EIEARN Cc1cccc(Cn2cccc2C=NN=c2[nH]c3ccccc3s2)c1 ZINC000001311498 564063124 /nfs/dbraw/zinc/06/31/24/564063124.db2.gz KNJVQMXXPLYRSZ-FYJGNVAPSA-N 0 0 346.459 4.322 50 30 EIEARN N#Cc1cc(-c2ccc(Cl)cc2)cn(Cc2cccc(F)c2)c1=O ZINC000001388556 564063978 /nfs/dbraw/zinc/06/39/78/564063978.db2.gz XXTHZTINRNLYHV-UHFFFAOYSA-N 0 0 338.769 4.228 50 30 EIEARN N#C[C@H](c1ccc(N2CCCC2)nn1)c1ccc(Cl)cc1Cl ZINC000001401099 564065006 /nfs/dbraw/zinc/06/50/06/564065006.db2.gz RVTOCVNXLLKJQV-ZDUSSCGKSA-N 0 0 333.222 4.039 50 30 EIEARN Cc1cc(OCc2coc(-c3cccc(Cl)c3)n2)c(C#N)c(C)n1 ZINC000084076937 564066176 /nfs/dbraw/zinc/06/61/76/564066176.db2.gz JMBGIXJQTMPBLO-UHFFFAOYSA-N 0 0 339.782 4.458 50 30 EIEARN N#Cc1cc(Sc2ccc3ccccc3n2)c([N+](=O)[O-])cc1C#N ZINC000001427759 564066896 /nfs/dbraw/zinc/06/68/96/564066896.db2.gz QXNYZJYAWJHGPT-UHFFFAOYSA-N 0 0 332.344 4.038 50 30 EIEARN N#Cc1c(Cl)nsc1NCCc1ccc(C(F)(F)F)cc1 ZINC000084398123 564068042 /nfs/dbraw/zinc/06/80/42/564068042.db2.gz HRNYBPCTVPYQBW-UHFFFAOYSA-N 0 0 331.750 4.342 50 30 EIEARN C[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000084640124 564069288 /nfs/dbraw/zinc/06/92/88/564069288.db2.gz ZTUHDXLXVQDRKB-LLVKDONJSA-N 0 0 338.392 4.292 50 30 EIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1ccccc1C ZINC000012776697 564069545 /nfs/dbraw/zinc/06/95/45/564069545.db2.gz VAHVCQMKRFQERR-CQSZACIVSA-N 0 0 333.391 4.050 50 30 EIEARN N#Cc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 ZINC000012786968 564070335 /nfs/dbraw/zinc/07/03/35/564070335.db2.gz BARXQYGRXFDEHI-CHHVJCJISA-N 0 0 343.169 4.210 50 30 EIEARN Cc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)c1ccc(Cl)cc1 ZINC000006046323 564072606 /nfs/dbraw/zinc/07/26/06/564072606.db2.gz PTHMJOWYQPCCAE-QGZVFWFLSA-N 0 0 340.810 4.159 50 30 EIEARN C=CCn1c(S[C@@H]2CCCCC2=O)nnc1-c1ccc(Cl)cc1 ZINC000006071625 564073438 /nfs/dbraw/zinc/07/34/38/564073438.db2.gz IVPAQQFNYUKCOR-OAHLLOKOSA-N 0 0 347.871 4.388 50 30 EIEARN C=CCn1c(S[C@H]2CCCCC2=O)nnc1-c1ccc(Cl)cc1 ZINC000006071633 564073443 /nfs/dbraw/zinc/07/34/43/564073443.db2.gz IVPAQQFNYUKCOR-HNNXBMFYSA-N 0 0 347.871 4.388 50 30 EIEARN C=CCN(C(=O)c1cccnc1SC)c1nc2ccccc2s1 ZINC000014170949 564074120 /nfs/dbraw/zinc/07/41/20/564074120.db2.gz OEOKHDVDMWTPEU-UHFFFAOYSA-N 0 0 341.461 4.246 50 30 EIEARN C=C(Cl)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000000315820 564074519 /nfs/dbraw/zinc/07/45/19/564074519.db2.gz HXJAMXJFXSPGNE-UHFFFAOYSA-N 0 0 325.191 4.457 50 30 EIEARN C=CCc1ccc(Oc2nc3ccccc3n3c(C)nnc23)c(OC)c1 ZINC000000236468 564074544 /nfs/dbraw/zinc/07/45/44/564074544.db2.gz LURDKKXIUZWCHL-UHFFFAOYSA-N 0 0 346.390 4.115 50 30 EIEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCC3 ZINC000000440729 564074582 /nfs/dbraw/zinc/07/45/82/564074582.db2.gz KTGARERDBKGCEI-UHFFFAOYSA-N 0 0 332.494 4.191 50 30 EIEARN C=CCSc1nc2c(cnn2-c2ccccc2)c(SCC=C)n1 ZINC000002180970 564074834 /nfs/dbraw/zinc/07/48/34/564074834.db2.gz FFQRUDBGGGJGAP-UHFFFAOYSA-N 0 0 340.477 4.372 50 30 EIEARN Clc1cccc(Cl)c1C=NN1CCN(Cc2ccccc2)CC1 ZINC000244673842 564075067 /nfs/dbraw/zinc/07/50/67/564075067.db2.gz HWOCHRTUARLXGS-UHFFFAOYSA-N 0 0 348.277 4.145 50 30 EIEARN N#Cc1ccc(NC(=O)c2ccc(Br)s2)cc1Cl ZINC000012949653 564079880 /nfs/dbraw/zinc/07/98/80/564079880.db2.gz IFBZURJQDRGCTN-UHFFFAOYSA-N 0 0 341.617 4.288 50 30 EIEARN CC(C)n1c2ccccc2nc1[C@H]1CCCN1c1ccc(C#N)cn1 ZINC000075107043 564080130 /nfs/dbraw/zinc/08/01/30/564080130.db2.gz QNCKCBCYROSHCP-GOSISDBHSA-N 0 0 331.423 4.225 50 30 EIEARN CC(=O)Nc1cc2ccccc2cc1C(=O)OCc1ccc(C#N)cc1 ZINC000016413019 564084906 /nfs/dbraw/zinc/08/49/06/564084906.db2.gz KURDIUNSEXQKHP-UHFFFAOYSA-N 0 0 344.370 4.027 50 30 EIEARN C=CCOc1ccccc1/C=N/CC/N=C\c1ccccc1OCC=C ZINC000090751904 564086375 /nfs/dbraw/zinc/08/63/75/564086375.db2.gz MZDHAGBXYCWHTO-QFFDILLMSA-N 0 0 348.446 4.354 50 30 EIEARN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000123440499 564086553 /nfs/dbraw/zinc/08/65/53/564086553.db2.gz ZUJCLTWYFUOGTK-SOUVJXGZSA-N 0 0 329.469 4.345 50 30 EIEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccccc2)cc1 ZINC000239121252 564088003 /nfs/dbraw/zinc/08/80/03/564088003.db2.gz JOHXBBCEIMGGIP-UHFFFAOYSA-N 0 0 336.464 4.414 50 30 EIEARN CCc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000244701293 564088566 /nfs/dbraw/zinc/08/85/66/564088566.db2.gz KDOYKSZKEHARTE-UHFFFAOYSA-N 0 0 342.855 4.332 50 30 EIEARN CSc1ccc(C=NN2C(=S)N=NC2c2ccc(C)cc2)cc1 ZINC000244748751 564088599 /nfs/dbraw/zinc/08/85/99/564088599.db2.gz ONTBMGJFNYXNLF-UHFFFAOYSA-N 0 0 340.477 4.146 50 30 EIEARN CCc1ccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)cc1 ZINC000244817152 564088608 /nfs/dbraw/zinc/08/86/08/564088608.db2.gz SVADOTKRZCVIMD-UHFFFAOYSA-N 0 0 335.495 4.018 50 30 EIEARN CC(C)(C)c1cc(CN=Nc2ocnc2C#N)cc(C(C)(C)C)c1O ZINC000026770267 564088869 /nfs/dbraw/zinc/08/88/69/564088869.db2.gz UQCZCIAZGWRVDI-LSHDLFTRSA-N 0 0 340.427 4.293 50 30 EIEARN N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccsc1 ZINC000130462592 564093377 /nfs/dbraw/zinc/09/33/77/564093377.db2.gz IOKCPDJETRBWPB-LBPRGKRZSA-N 0 0 339.203 4.016 50 30 EIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1cccc(Cl)c1 ZINC000006758359 564097276 /nfs/dbraw/zinc/09/72/76/564097276.db2.gz HUCDVQSVPBEBKM-YJBOKZPZSA-N 0 0 344.794 4.252 50 30 EIEARN CCc1ccc(-c2csc(NC(=O)c3cccc(C#N)c3)n2)cc1 ZINC000006790209 564097935 /nfs/dbraw/zinc/09/79/35/564097935.db2.gz SRZFVXPHOYXPTA-UHFFFAOYSA-N 0 0 333.416 4.496 50 30 EIEARN CCN1C(=O)/C(=C\c2ccc(C)o2)SC1=Nc1ccc(OC)cc1 ZINC000252600919 564121176 /nfs/dbraw/zinc/12/11/76/564121176.db2.gz DVWKPSKKRXSYPX-XTHUDHNSSA-N 0 0 342.420 4.221 50 30 EIEARN CCN1C(=O)/C(=C\c2ccccc2OC)SC1=Nc1ccccc1 ZINC000252599755 564121187 /nfs/dbraw/zinc/12/11/87/564121187.db2.gz DLGASYBJMJZMMI-WSRIWQLKSA-N 0 0 338.432 4.319 50 30 EIEARN Cc1ccc(N=Cc2cc(Br)ccc2O)cc1N(C)C ZINC000252611023 564121804 /nfs/dbraw/zinc/12/18/04/564121804.db2.gz IGDHYSRUQDVOCH-UHFFFAOYSA-N 0 0 333.229 4.280 50 30 EIEARN CCCC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000252612241 564121833 /nfs/dbraw/zinc/12/18/33/564121833.db2.gz IQSIXSYEDVLRGM-UHFFFAOYSA-N 0 0 334.357 4.181 50 30 EIEARN N#CC[C@H](C[C@@H](CC#N)C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000002271862 564125457 /nfs/dbraw/zinc/12/54/57/564125457.db2.gz NCZTWKGRVOLRBZ-RTBURBONSA-N 0 0 330.387 4.202 50 30 EIEARN CCCc1nc(NC(C)=O)c(C#N)c(-c2ccccc2OC)c1CC ZINC000000077164 564132787 /nfs/dbraw/zinc/13/27/87/564132787.db2.gz BGWMWQNHCOOIRS-UHFFFAOYSA-N 0 0 337.423 4.102 50 30 EIEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccno3)sc2C1 ZINC000000153810 564132899 /nfs/dbraw/zinc/13/28/99/564132899.db2.gz PLRWCDARMWKVHU-NSHDSACASA-N 0 0 343.452 4.401 50 30 EIEARN N#Cc1ccc(CSc2nc3cc(Br)ccc3[nH]2)cc1 ZINC000000317667 564133107 /nfs/dbraw/zinc/13/31/07/564133107.db2.gz SRBGKBSQPJDWHR-UHFFFAOYSA-N 0 0 344.237 4.489 50 30 EIEARN CCc1c(C)sc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1C#N ZINC000000483353 564133296 /nfs/dbraw/zinc/13/32/96/564133296.db2.gz YOJLDKPFCFOVEB-BQYQJAHWSA-N 0 0 341.392 4.051 50 30 EIEARN CCN(CC)c1ccc(NC(=O)c2ccc(C#N)cc2F)c(C)c1 ZINC000000557459 564133410 /nfs/dbraw/zinc/13/34/10/564133410.db2.gz WXHVLLPRACECCX-UHFFFAOYSA-N 0 0 325.387 4.104 50 30 EIEARN CCCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2O)cc1 ZINC000013161704 564133790 /nfs/dbraw/zinc/13/37/90/564133790.db2.gz VDXDMGVYYKZDHV-SFHVURJKSA-N 0 0 326.396 4.211 50 30 EIEARN N#Cc1cccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)c1 ZINC000065528062 564134356 /nfs/dbraw/zinc/13/43/56/564134356.db2.gz KTEMVHHBDVBPDD-LJQANCHMSA-N 0 0 329.403 4.268 50 30 EIEARN COc1ccc([C@H]2C[C@H]2/C(C)=N/OC(=O)c2ccc(F)cc2)cc1 ZINC000012350587 564135157 /nfs/dbraw/zinc/13/51/57/564135157.db2.gz JSTWPIVFSOQCCS-QPMAMFFCSA-N 0 0 327.355 4.171 50 30 EIEARN CCCc1c2c3ccccc3[nH]c2c2c([n+]1[O-])CC(C)(C)C/C2=N\O ZINC000012858867 564135652 /nfs/dbraw/zinc/13/56/52/564135652.db2.gz ZMWDUAAYUMUCEQ-HYARGMPZSA-N 0 0 337.423 4.058 50 30 biogenic EIEARN CC(C)c1noc([C@@H](C)Nc2cccc(Oc3ccc(C#N)cn3)c2)n1 ZINC000078869918 564137284 /nfs/dbraw/zinc/13/72/84/564137284.db2.gz FSOKTIBPNJRMPR-CYBMUJFWSA-N 0 0 349.394 4.425 50 30 EIEARN N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1NCCc1ccccc1 ZINC000096346553 564146897 /nfs/dbraw/zinc/14/68/97/564146897.db2.gz AHITXPXITHQFPL-ROUUACIJSA-N 0 0 329.403 4.472 50 30 EIEARN N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CCc2ccccc2C1 ZINC000096346561 564146898 /nfs/dbraw/zinc/14/68/98/564146898.db2.gz ZTYGTXDCIQUHKX-RTBURBONSA-N 0 0 341.414 4.380 50 30 EIEARN O=C1N/C(=N/c2ccccc2)S[C@H]1Cc1cccc2ccccc21 ZINC000002473643 564149722 /nfs/dbraw/zinc/14/97/22/564149722.db2.gz PZSWLMJYIYWZRQ-SFHVURJKSA-N 0 0 332.428 4.302 50 30 EIEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nccs1 ZINC000002500781 564150015 /nfs/dbraw/zinc/15/00/15/564150015.db2.gz ANHTYDAZUKCFCX-UHFFFAOYSA-N 0 0 337.429 4.418 50 30 EIEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000002660078 564152047 /nfs/dbraw/zinc/15/20/47/564152047.db2.gz PAXQEZWILMBTEE-UHFFFAOYSA-N 0 0 342.247 4.375 50 30 EIEARN CCN(Cc1ccc(C#N)cc1F)Cn1ccc(-c2ccccc2)n1 ZINC000057963371 564156827 /nfs/dbraw/zinc/15/68/27/564156827.db2.gz WILBBSPJRLILIV-UHFFFAOYSA-N 0 0 334.398 4.040 50 30 EIEARN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1sccc1C#N ZINC000057993014 564157043 /nfs/dbraw/zinc/15/70/43/564157043.db2.gz ORRFZYUFIQBGMT-LBPRGKRZSA-N 0 0 328.437 4.323 50 30 EIEARN COc1ccc2[nH]cc(C3=CCN(c4ccc(C#N)cc4F)CC3)c2c1 ZINC000058406310 564158992 /nfs/dbraw/zinc/15/89/92/564158992.db2.gz RZMVEGKIWIZXOS-UHFFFAOYSA-N 0 0 347.393 4.481 50 30 EIEARN CC[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000031756349 564159807 /nfs/dbraw/zinc/15/98/07/564159807.db2.gz ZQUYXTMBXNETKI-OAHLLOKOSA-N 0 0 330.334 4.041 50 30 EIEARN N#Cc1cccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000008115257 564162772 /nfs/dbraw/zinc/16/27/72/564162772.db2.gz KJBWGFSOYDTBRQ-HXUWFJFHSA-N 0 0 344.439 4.408 50 30 EIEARN N#Cc1cccc(CSc2nnc(-c3c[nH]c4ccccc43)o2)c1 ZINC000008187355 564163405 /nfs/dbraw/zinc/16/34/05/564163405.db2.gz LKPYTWBIRFHQBC-UHFFFAOYSA-N 0 0 332.388 4.382 50 30 EIEARN CCOc1ccc(/C=C/c2nc(C#N)c(NCc3ccco3)o2)cc1 ZINC000008323930 564164423 /nfs/dbraw/zinc/16/44/23/564164423.db2.gz NKAYWJWWLJHWQE-JXMROGBWSA-N 0 0 335.363 4.320 50 30 EIEARN Cc1ccc(NC2=N[C@H]3N=C(c4ccc(C)cc4)S[C@@H]3S2)cc1 ZINC000041097516 564173167 /nfs/dbraw/zinc/17/31/67/564173167.db2.gz MNVUGUZSNAZIGP-NVXWUHKLSA-N 0 0 339.489 4.473 50 30 EIEARN N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000077687564 564176846 /nfs/dbraw/zinc/17/68/46/564176846.db2.gz LXUOAZYJHPMRFY-KRWDZBQOSA-N 0 0 346.411 4.229 50 30 EIEARN COc1cc2c(cc1NC(=O)c1cc(C#N)c[nH]1)oc1ccccc12 ZINC000177487496 564177507 /nfs/dbraw/zinc/17/75/07/564177507.db2.gz WKNRCOZSQBCLCT-UHFFFAOYSA-N 0 0 331.331 4.047 50 30 EIEARN