smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000053140621 214165828 /nfs/dbraw/zinc/16/58/28/214165828.db2.gz VPYPWBQRESSNMB-UHFFFAOYSA-N 0 1 333.785 3.842 50 30 EHEAMN N#CCN1CCC(c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)CC1 ZINC000020390528 202040442 /nfs/dbraw/zinc/04/04/42/202040442.db2.gz ATBKNGYRCOWNQL-UHFFFAOYSA-N 0 1 334.345 3.798 50 30 EHEAMN CC(C)(C)c1nc(C#N)c(NC[C@H](c2ccco2)N2CCCC2)o1 ZINC000027664176 202159491 /nfs/dbraw/zinc/15/94/91/202159491.db2.gz NKNIAVZXXAVINK-CQSZACIVSA-N 0 1 328.416 3.686 50 30 EHEAMN COc1ccc(/C=N/N(C)c2cc(C)nc(-c3ccccc3O)n2)cc1 ZINC000004697412 205723819 /nfs/dbraw/zinc/72/38/19/205723819.db2.gz SZNKBOFPRJBTNO-FYJGNVAPSA-N 0 1 348.406 3.637 50 30 EHEAMN CSC(=Nc1ccc(Cl)cc1)NS(=O)(=O)c1cccs1 ZINC000006131633 525286370 /nfs/dbraw/zinc/28/63/70/525286370.db2.gz YWYZTLCGWIPEJN-UHFFFAOYSA-N 0 1 346.886 3.921 50 30 EHEAMN COc1cccc(C=NNc2nc(-c3ccccc3)nc(C)c2C)c1O ZINC000004595688 525772507 /nfs/dbraw/zinc/77/25/07/525772507.db2.gz YDOKVMGNCYKMQK-CIAFOILYSA-N 0 1 348.406 3.921 50 30 EHEAMN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)C(C#N)c1ccccn1 ZINC000071892401 563471029 /nfs/dbraw/zinc/47/10/29/563471029.db2.gz YPNDFZDFDGJNNM-ZFWWWQNUSA-N 0 1 333.395 3.596 50 30 EHEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)cc(OC)c1OC ZINC000004335156 563500454 /nfs/dbraw/zinc/50/04/54/563500454.db2.gz KDWWNDGRDYNHLQ-VCHYOVAHSA-N 0 1 343.408 3.768 50 30 EHEAMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)cc(OC)c1OC ZINC000004335156 563500458 /nfs/dbraw/zinc/50/04/58/563500458.db2.gz KDWWNDGRDYNHLQ-VCHYOVAHSA-N 0 1 343.408 3.768 50 30 EHEAMN O=[N+]([O-])c1ccc(Cl)c(C=Nn2c(=S)[nH]nc2-c2ccco2)c1 ZINC000017137943 563838118 /nfs/dbraw/zinc/83/81/18/563838118.db2.gz GMDJZSZFZWSKCM-VIZOYTHASA-N 0 1 349.759 3.644 50 30 EHEAMN Cc1cc(=O)oc2c(/C=N/c3cccc4nsnc43)c(O)ccc12 ZINC000023550165 563919376 /nfs/dbraw/zinc/91/93/76/563919376.db2.gz PFJMRFSDAWDNIV-QGMBQPNBSA-N 0 1 337.360 3.562 50 30 EHEAMN CCC1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2C)C1=O ZINC000004901884 563992352 /nfs/dbraw/zinc/99/23/52/563992352.db2.gz ZONLYPIJWOAPRU-UEYPFEJESA-N 0 1 341.436 3.832 50 30 EHEAMN Cc1cc([C@H](C)NCC(=O)Nc2oc(C)c(C)c2C#N)c(C)s1 ZINC000182979729 564056441 /nfs/dbraw/zinc/05/64/41/564056441.db2.gz JFMADDQEMPLAEM-NSHDSACASA-N 0 1 331.441 3.736 50 30 EHEAMN Cc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000005981736 564112604 /nfs/dbraw/zinc/11/26/04/564112604.db2.gz VYVJHMRECOROOI-LICLKQGHSA-N 0 1 339.380 3.707 50 30 EHEAMN O=C(Nc1ccc2nc[nH]c2c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000328591548 564136733 /nfs/dbraw/zinc/13/67/33/564136733.db2.gz CBEYRMWLBZPIGA-UHFFFAOYSA-N 0 1 337.339 3.682 50 30 EHEAMN N#Cc1ccccc1CN1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095385204 564139341 /nfs/dbraw/zinc/13/93/41/564139341.db2.gz LQGIAQIHJDVJQA-FQEVSTJZSA-N 0 1 334.467 3.934 50 30 EHEAMN Cc1cc(C(C#N)C(=O)c2cc3c(s2)CCCCC3)nc(C)n1 ZINC000041573984 564174116 /nfs/dbraw/zinc/17/41/16/564174116.db2.gz KDJHHSOMMHCHCD-AWEZNQCLSA-N 0 1 325.437 3.914 50 30 EHEAMN N#Cc1ccc(OCCSc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000009837200 564174691 /nfs/dbraw/zinc/17/46/91/564174691.db2.gz SFAPDJBCVJQSKC-UHFFFAOYSA-N 0 1 340.383 3.654 50 30 EHEAMN C=CCc1cc(CN2CCC(C)(C#N)CC2)cc(OC)c1OCC ZINC000820505581 1130878680 /nfs/dbraw/zinc/87/86/80/1130878680.db2.gz CJFCHLFVYMIEIX-UHFFFAOYSA-N 0 1 328.456 3.948 50 30 EHEAMN CC[C@H](C)N(CC#Cc1ccccc1)Cc1ccc(C#CCO)s1 ZINC000055392810 214316981 /nfs/dbraw/zinc/31/69/81/214316981.db2.gz CXIXVSXRFFLBNI-SFHVURJKSA-N 0 1 337.488 3.744 50 30 EHEAMN C=CCN(Cc1ccc(F)cc1)Cc1ccc(OCC)c(CO)c1 ZINC000055413243 214321037 /nfs/dbraw/zinc/32/10/37/214321037.db2.gz KCEAIFOOWUNQCJ-UHFFFAOYSA-N 0 1 329.415 3.905 50 30 EHEAMN O=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)n1ncnc1N2 ZINC000000071128 201430290 /nfs/dbraw/zinc/43/02/90/201430290.db2.gz QZYYADVBFDVCNJ-AWEZNQCLSA-N 0 1 335.194 3.607 50 30 EHEAMN C=CCO[C@@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000071803628 203116097 /nfs/dbraw/zinc/11/60/97/203116097.db2.gz DMMWVRGGFQXXCC-WDEREUQCSA-N 0 1 348.374 3.856 50 30 EHEAMN CC(C)C(=O)C(C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000101635121 204016466 /nfs/dbraw/zinc/01/64/66/204016466.db2.gz STYOFSWJBVDTSG-VIFPVBQESA-N 0 1 332.709 3.662 50 30 EHEAMN CC(C)(C)c1ccc(NC(=O)[C@H]2CCCN2C2CCOCC2)c(O)c1 ZINC000330032762 258002628 /nfs/dbraw/zinc/00/26/28/258002628.db2.gz RNIDDFXOLPXDRB-QGZVFWFLSA-N 0 1 346.471 3.921 50 30 EHEAMN C=CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc2nc(C)[nH]c2c1 ZINC000055401535 518782364 /nfs/dbraw/zinc/78/23/64/518782364.db2.gz XLLCCESODORJDE-UHFFFAOYSA-N 0 1 337.398 3.768 50 30 EHEAMN Cn1c(CNCc2cn(CCC#N)c3ccccc23)nc2ccccc21 ZINC000012579917 527061726 /nfs/dbraw/zinc/06/17/26/527061726.db2.gz SNSJFXNMTSBVLG-UHFFFAOYSA-N 0 1 343.434 3.731 50 30 EHEAMN CC(=Nn1c(-c2ccccc2)n[nH]c1=S)c1cccc([N+](=O)[O-])c1 ZINC000006361181 563565829 /nfs/dbraw/zinc/56/58/29/563565829.db2.gz XCBMTHZKSKEFRH-YBFXNURJSA-N 0 1 339.380 3.788 50 30 EHEAMN CCOc1nc2ccccc2nc1C(C#N)C(=O)Nc1cccc(C)c1 ZINC000005451638 564004202 /nfs/dbraw/zinc/00/42/02/564004202.db2.gz KIWHODPPXRLDJX-HNNXBMFYSA-N 0 1 346.390 3.583 50 30 EHEAMN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CCCC1 ZINC000103259812 564021996 /nfs/dbraw/zinc/02/19/96/564021996.db2.gz QXPJWKURJOQULX-ZDUSSCGKSA-N 0 1 338.379 3.839 50 30 EHEAMN CC/C(=N\N=C1\SC(C)C(=O)N1Cc1ccco1)c1ccccc1 ZINC000012401986 564050669 /nfs/dbraw/zinc/05/06/69/564050669.db2.gz IOQGCFQJRDDVBG-WHDXICKISA-N 0 1 341.436 3.914 50 30 EHEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(O)c2)cc1 ZINC000005906654 564056904 /nfs/dbraw/zinc/05/69/04/564056904.db2.gz ZCAYPDOSMNAGJG-WOJGMQOQSA-N 0 1 340.408 3.594 50 30 EHEAMN Cc1noc(C)c1[C@H]1CCCN1Cc1ccc(C#CC(C)(C)O)s1 ZINC000065488126 564066851 /nfs/dbraw/zinc/06/68/51/564066851.db2.gz GLPFBIXRCZMTNO-QGZVFWFLSA-N 0 1 344.480 3.812 50 30 EHEAMN N#CC(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccccn1 ZINC000096422133 564147966 /nfs/dbraw/zinc/14/79/66/564147966.db2.gz NMGAZUPBJDBNAD-MCIONIFRSA-N 0 1 346.308 3.960 50 30 EHEAMN CC[C@@H](OC)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000068725509 564167685 /nfs/dbraw/zinc/16/76/85/564167685.db2.gz LMUDHIBCXZTDBN-TVQRCGJNSA-N 0 1 336.363 3.690 50 30 EHEAMN CCCC[C@@H](CC)CN1C=C(O)C(c2nc3ccc(C)cc3[nH]2)C1=N ZINC000005182900 1033409233 /nfs/dbraw/zinc/40/92/33/1033409233.db2.gz JRBWPQRDKXMLGC-CQSZACIVSA-N 0 1 340.471 3.600 50 30 EHEAMN COc1ccccc1C=CC=Nn1c(=S)[nH]nc1-c1ccccn1 ZINC000006166059 524317370 /nfs/dbraw/zinc/31/73/70/524317370.db2.gz YYZKSEAWRHPAAL-ZYZAVJBWSA-N 0 1 337.408 3.559 50 30 EHEAMN Cc1cccc(OCC(=O)ONC(=N)Cc2cccc3ccccc32)c1 ZINC000005092926 524722585 /nfs/dbraw/zinc/72/25/85/524722585.db2.gz DBHLHHUDPZAGCL-UHFFFAOYSA-N 0 1 348.402 3.585 50 30 EHEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2ccccc2C)ccc1O ZINC000001297116 563382710 /nfs/dbraw/zinc/38/27/10/563382710.db2.gz PSWJPCXLMICWNB-VCHYOVAHSA-N 0 1 340.408 3.513 50 30 EHEAMN C=CCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000016750859 563822642 /nfs/dbraw/zinc/82/26/42/563822642.db2.gz PGOKHFJHNKPDQP-HNNXBMFYSA-N 0 1 343.379 3.652 50 30 EHEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc(F)cc1)C(C#N)C#N ZINC000100708541 563995002 /nfs/dbraw/zinc/99/50/02/563995002.db2.gz RFPUPMVXVKPVJV-MOPGFXCFSA-N 0 1 346.365 3.612 50 30 EHEAMN C/C(=N\N=C1/NC(=O)C(Cc2ccccc2)S1)c1ccc(C)cc1 ZINC000001220135 564057993 /nfs/dbraw/zinc/05/79/93/564057993.db2.gz ZRIAOIYEYUFHNE-AQRZYSDFSA-N 0 1 337.448 3.549 50 30 EHEAMN C=CCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(C)cc1 ZINC000016750387 564074468 /nfs/dbraw/zinc/07/44/68/564074468.db2.gz MYJZLMQCKXJVQS-HXUWFJFHSA-N 0 1 345.402 3.822 50 30 EHEAMN Cc1ccc2nc(SCC(=O)Nc3sccc3C#N)[nH]c2c1 ZINC000006506568 564091094 /nfs/dbraw/zinc/09/10/94/564091094.db2.gz WKTCOPBPKIHXHB-UHFFFAOYSA-N 0 1 328.422 3.535 50 30 EHEAMN Cc1cccc(-c2n[nH]c(=S)n2N=Cc2ccccc2[N+](=O)[O-])c1 ZINC000005981747 564112576 /nfs/dbraw/zinc/11/25/76/564112576.db2.gz VOYOBXQKUHGDDU-LICLKQGHSA-N 0 1 339.380 3.707 50 30 EHEAMN N#Cc1cc(NC(=O)CCc2cnc[nH]2)ccc1Oc1ccccc1 ZINC000194034631 564120393 /nfs/dbraw/zinc/12/03/93/564120393.db2.gz DNESNNYWSYJDEK-UHFFFAOYSA-N 0 1 332.363 3.645 50 30 EHEAMN C=CCOc1ccc(C(=O)NC[C@H](c2ccco2)N(CC)CC)cc1 ZINC000057995089 564157066 /nfs/dbraw/zinc/15/70/66/564157066.db2.gz YYTDUZMZEGCKTI-GOSISDBHSA-N 0 1 342.439 3.657 50 30 EHEAMN N#Cc1ccc(NC(=O)CNCc2cccc(Cl)c2)cc1Cl ZINC000058448484 564159162 /nfs/dbraw/zinc/15/91/62/564159162.db2.gz MQIZMYWJHVJRRU-UHFFFAOYSA-N 0 1 334.206 3.593 50 30 EHEAMN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnc(-c2ccco2)s1 ZINC000171479967 564164841 /nfs/dbraw/zinc/16/48/41/564164841.db2.gz PVDRMBGTAFVCRU-LLVKDONJSA-N 0 1 348.387 3.780 50 30 EHEAMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1cnc(-c2ccco2)s1 ZINC000171479967 564164842 /nfs/dbraw/zinc/16/48/42/564164842.db2.gz PVDRMBGTAFVCRU-LLVKDONJSA-N 0 1 348.387 3.780 50 30 EHEAMN CCc1oc(C(=O)C(C#N)C(=O)Nc2cccc(Cl)c2)cc1C ZINC000101652889 568417299 /nfs/dbraw/zinc/41/72/99/568417299.db2.gz QBJBMRFIUBVBNS-CYBMUJFWSA-N 0 1 330.771 3.765 50 30 EHEAMN N#Cc1cccc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 ZINC000025184572 202127985 /nfs/dbraw/zinc/12/79/85/202127985.db2.gz HCTWXZVHQFNHAP-UHFFFAOYSA-N 0 1 345.446 3.615 50 30 EHEAMN C#CCN1CCC(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)CC1 ZINC000072273285 216097525 /nfs/dbraw/zinc/09/75/25/216097525.db2.gz UHPCNNGGQPWGSC-NRFANRHFSA-N 0 1 349.478 3.567 50 30 EHEAMN C[C@H]1CCCC[N@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccco1)O2 ZINC000020503386 201370240 /nfs/dbraw/zinc/37/02/40/201370240.db2.gz ROYOMSAHTGNDLS-FHNWIRHTSA-N 0 1 339.391 3.976 50 30 biogenic EHEAMN COc1cccc(C(=O)ONC(=N)Cc2cccc3ccccc32)c1 ZINC000004191503 525838577 /nfs/dbraw/zinc/83/85/77/525838577.db2.gz USBLVJQKIQEQHO-UHFFFAOYSA-N 0 1 334.375 3.520 50 30 EHEAMN COc1cc(/C=C2/Sc3ccccc3C2=O)cc([N+](=O)[O-])c1O ZINC000004648033 563963312 /nfs/dbraw/zinc/96/33/12/563963312.db2.gz GWXUEBOFYLNZRU-RIYZIHGNSA-N 0 1 329.333 3.639 50 30 EHEAMN COc1ccc([C@@H]2C/C(=N/O)[C@H](C)[C@@H](c3ccc(OC)cc3)N2)cc1 ZINC000100398675 563982593 /nfs/dbraw/zinc/98/25/93/563982593.db2.gz OYGRPLURZDNYIE-ZCNBUOBVSA-N 0 1 340.423 3.946 50 30 EHEAMN COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)C/C(=N/O)[C@@H]2C)cc1 ZINC000100398670 563982595 /nfs/dbraw/zinc/98/25/95/563982595.db2.gz OYGRPLURZDNYIE-QZRQXSEMSA-N 0 1 340.423 3.946 50 30 EHEAMN Cc1[nH]c2ccccc2c1C=NN=c1[nH]n2cnnc2c2ccccc21 ZINC000004897660 563992312 /nfs/dbraw/zinc/99/23/12/563992312.db2.gz GGWNVAYKBJMEMS-KEBDBYFISA-N 0 1 341.378 3.513 50 30 EHEAMN CC(C)c1ccc(-c2nc(N3CCCCCC3)[nH]c(=O)c2C#N)cc1 ZINC000005151817 563994700 /nfs/dbraw/zinc/99/47/00/563994700.db2.gz VQNMQIXGXWWEHL-UHFFFAOYSA-N 0 1 336.439 3.812 50 30 EHEAMN COc1ccccc1OCCN1CCC(C#N)(c2ccccc2)CC1 ZINC000244872822 564052301 /nfs/dbraw/zinc/05/23/01/564052301.db2.gz WFBDZJUHXAPHAR-UHFFFAOYSA-N 0 1 336.435 3.631 50 30 EHEAMN C=CCN1CCN(Cc2cccc(-c3ccccc3C)c2)CCC1=O ZINC000014996411 564074232 /nfs/dbraw/zinc/07/42/32/564074232.db2.gz YKQAZKPGKLEFBB-UHFFFAOYSA-N 0 1 334.463 3.882 50 30 EHEAMN COc1cccc(C=Nn2c(=S)[nH]nc2-c2ccccc2OC)c1 ZINC000005911338 564093324 /nfs/dbraw/zinc/09/33/24/564093324.db2.gz CMLNSBDSJVAKCI-WOJGMQOQSA-N 0 1 340.408 3.507 50 30 EHEAMN Cc1ccc(CN2CCN(c3nc(C)cc(C)c3C#N)CC2)c(C)c1 ZINC000022608687 564149627 /nfs/dbraw/zinc/14/96/27/564149627.db2.gz CMDXFARGTNEOOD-UHFFFAOYSA-N 0 1 334.467 3.509 50 30 EHEAMN CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccco1 ZINC000008198129 564163496 /nfs/dbraw/zinc/16/34/96/564163496.db2.gz ILTWEMRWCYRZCB-UHFFFAOYSA-N 0 1 343.452 3.552 50 30 EHEAMN N#CC1(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)CCCCC1 ZINC000178639017 1040139479 /nfs/dbraw/zinc/13/94/79/1040139479.db2.gz QEVPAKBJKXOESL-UHFFFAOYSA-N 0 1 336.317 3.994 50 30 EHEAMN CC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccnc1 ZINC000005101045 1042829852 /nfs/dbraw/zinc/82/98/52/1042829852.db2.gz AHLCIVODOFZUCJ-FQEVSTJZSA-N 0 1 333.391 3.608 50 30 EHEAMN COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1[N+](=O)[O-] ZINC000004578303 210224796 /nfs/dbraw/zinc/22/47/96/210224796.db2.gz ZTDMUEPMXUFHQI-CXUHLZMHSA-N 0 1 328.353 3.659 50 30 EHEAMN CC(C)(C)c1nc(C#N)c(NC[C@@H](c2ccco2)N2CCCC2)o1 ZINC000027664177 202159483 /nfs/dbraw/zinc/15/94/83/202159483.db2.gz NKNIAVZXXAVINK-AWEZNQCLSA-N 0 1 328.416 3.686 50 30 EHEAMN CCC1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2)C1=O ZINC000036093476 202315076 /nfs/dbraw/zinc/31/50/76/202315076.db2.gz LGERHHYECJMWLG-YXCPHSOBSA-N 0 1 343.477 3.992 50 30 EHEAMN N#CC(C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccccn1 ZINC000096422130 526507413 /nfs/dbraw/zinc/50/74/13/526507413.db2.gz NMGAZUPBJDBNAD-IHRRRGAJSA-N 0 1 346.308 3.960 50 30 EHEAMN O=C(C(=C([O-])c1ccccc1)[n+]1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000004671206 563507600 /nfs/dbraw/zinc/50/76/00/563507600.db2.gz HFZYCAGHKPIUHA-UHFFFAOYSA-O 0 1 347.350 3.649 50 30 EHEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(OC)c2)cc1 ZINC000005910699 563553975 /nfs/dbraw/zinc/55/39/75/563553975.db2.gz CVKCKXPJBJMKHE-WOJGMQOQSA-N 0 1 340.408 3.507 50 30 EHEAMN O=[N+]([O-])c1cc(C=Nn2c(=S)[nH]nc2-c2ccco2)ccc1Cl ZINC000005997469 563556774 /nfs/dbraw/zinc/55/67/74/563556774.db2.gz QBXJAPSPEOGOKS-VIZOYTHASA-N 0 1 349.759 3.644 50 30 EHEAMN COc1ccc(CC2S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 ZINC000013477864 563699621 /nfs/dbraw/zinc/69/96/21/563699621.db2.gz HAIDZHYKVBGVMO-OAHLLOKOSA-N 0 1 346.839 3.810 50 30 EHEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000017016510 563828564 /nfs/dbraw/zinc/82/85/64/563828564.db2.gz LKJJVSLQIRGJRO-INIZCTEOSA-N 0 1 341.794 3.857 50 30 EHEAMN C=CC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000328594535 563860503 /nfs/dbraw/zinc/86/05/03/563860503.db2.gz RPHJUKWKJGLYGD-UHFFFAOYSA-N 0 1 335.451 3.651 50 30 EHEAMN COc1csc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000177605171 563916572 /nfs/dbraw/zinc/91/65/72/563916572.db2.gz QRAMRUDODRZNCL-SNVBAGLBSA-N 0 1 347.346 3.992 50 30 EHEAMN COc1csc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000177605171 563916573 /nfs/dbraw/zinc/91/65/73/563916573.db2.gz QRAMRUDODRZNCL-SNVBAGLBSA-N 0 1 347.346 3.992 50 30 EHEAMN CSc1ccc(CN(Cc2ccc(C#CCO)s2)C2CC2)cc1 ZINC000063868209 564066402 /nfs/dbraw/zinc/06/64/02/564066402.db2.gz FUAYABWSVVCCSA-UHFFFAOYSA-N 0 1 343.517 3.978 50 30 EHEAMN Oc1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(Cl)c2)cc1 ZINC000001271058 564117922 /nfs/dbraw/zinc/11/79/22/564117922.db2.gz XQJBLYPDKXSZCE-RQZCQDPDSA-N 0 1 330.800 3.849 50 30 EHEAMN C=C[C@H]1CCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000584896742 564131669 /nfs/dbraw/zinc/13/16/69/564131669.db2.gz ZGIACHQORYGSNH-HNNXBMFYSA-N 0 1 347.890 3.522 50 30 EHEAMN Cc1cccc(/N=C2\NC(=O)C(Cc3ccccc3Cl)S2)n1 ZINC000002321773 564132319 /nfs/dbraw/zinc/13/23/19/564132319.db2.gz MSMIAMFXXCCSJH-CYBMUJFWSA-N 0 1 331.828 3.505 50 30 EHEAMN CC(=O)c1ccc(C#N)cc1NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000095469190 564141214 /nfs/dbraw/zinc/14/12/14/564141214.db2.gz GHIRAGSJOBRQJL-IBGZPJMESA-N 0 1 325.387 3.615 50 30 EHEAMN COC(=O)c1sccc1N=NCc1ccc(Br)s1 ZINC000003909676 564159693 /nfs/dbraw/zinc/15/96/93/564159693.db2.gz NELSZZHODDERMO-AWNIVKPZSA-N 0 1 345.243 3.805 50 30 EHEAMN CCOc1ccc(C(=O)/C=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 ZINC000097993421 1016799259 /nfs/dbraw/zinc/79/92/59/1016799259.db2.gz AWJHYOGPTCHBKW-WTKPLQERSA-N 0 1 343.335 3.604 50 30 EHEAMN C=CCN(Cc1ccc(F)cc1)C(=O)c1ccc(CN2CCCC2)o1 ZINC000055243751 214293546 /nfs/dbraw/zinc/29/35/46/214293546.db2.gz VJAJKYXRQVEGOF-UHFFFAOYSA-N 0 1 342.414 3.843 50 30 EHEAMN C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(Cl)cc1Cl ZINC000022608037 202088276 /nfs/dbraw/zinc/08/82/76/202088276.db2.gz WIPWTIYHQPDTJC-AYVTZFPOSA-N 0 1 349.221 3.853 50 30 EHEAMN CC(C)(O)C#Cc1ccc(CN2CCC[C@@H]2c2ccccn2)s1 ZINC000215085995 241104458 /nfs/dbraw/zinc/10/44/58/241104458.db2.gz UNJNMBIHARPHDU-GOSISDBHSA-N 0 1 326.465 3.603 50 30 EHEAMN C=C(C)[C@@H](NC(=O)N[C@H]1CCCc2cn[nH]c21)c1ccc(F)c(F)c1 ZINC000369007250 258001750 /nfs/dbraw/zinc/00/17/50/258001750.db2.gz CTRVWEJSRLDCCT-JKSUJKDBSA-N 0 1 346.381 3.682 50 30 EHEAMN C#CCN1CCC(C(=O)N(CC)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000058404997 258014867 /nfs/dbraw/zinc/01/48/67/258014867.db2.gz BCBWOIYUFDRRFJ-INIZCTEOSA-N 0 1 338.451 3.688 50 30 EHEAMN C=CCOc1ccccc1CN1CCN(c2ccc(OC)cc2)CC1 ZINC000055292012 519071186 /nfs/dbraw/zinc/07/11/86/519071186.db2.gz UGKRWYAPSJMHPU-UHFFFAOYSA-N 0 1 338.451 3.582 50 30 EHEAMN C=CCc1ccccc1OCC[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000055368888 519143908 /nfs/dbraw/zinc/14/39/08/519143908.db2.gz AXNHQSBYWYUZKC-UHFFFAOYSA-N 0 1 325.408 3.624 50 30 EHEAMN CC(C)CN(Cc1ccc(C#CC(C)(C)O)s1)Cc1ccccn1 ZINC000055370477 519718256 /nfs/dbraw/zinc/71/82/56/519718256.db2.gz UVNFANRKFBPVHR-UHFFFAOYSA-N 0 1 342.508 3.924 50 30 EHEAMN COc1ccc(C(=O)/C=C/c2cccc(O)c2)cc1CN1CCCC1 ZINC000023715938 523542067 /nfs/dbraw/zinc/54/20/67/523542067.db2.gz PUJJTDUHEBRRMI-VQHVLOKHSA-N 0 1 337.419 3.893 50 30 EHEAMN CCCN1CCN(C(=S)Nc2ccccc2C(F)(F)F)CC1 ZINC000018198397 563850914 /nfs/dbraw/zinc/85/09/14/563850914.db2.gz GTGKRELIYKLBLP-UHFFFAOYSA-N 0 1 331.407 3.650 50 30 EHEAMN CCCc1ccc(O)c(/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)c1 ZINC000004132710 563495671 /nfs/dbraw/zinc/49/56/71/563495671.db2.gz OGWHVIUUDMEZJC-VCHYOVAHSA-N 0 1 330.340 3.718 50 30 EHEAMN CSc1ccc(O[C@@H](C)C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000096420354 563951575 /nfs/dbraw/zinc/95/15/75/563951575.db2.gz DSBFUYAEFFPESR-FZMZJTMJSA-N 0 1 332.450 3.817 50 30 EHEAMN COc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Br)c1O ZINC000100051730 563982327 /nfs/dbraw/zinc/98/23/27/563982327.db2.gz RLXKVQHQPBULGA-CNHKJKLMSA-N 0 1 349.184 3.995 50 30 EHEAMN C=C(C)[C@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccc(F)c(F)c1 ZINC000328588365 563984098 /nfs/dbraw/zinc/98/40/98/563984098.db2.gz CTRVWEJSRLDCCT-CVEARBPZSA-N 0 1 346.381 3.886 50 30 EHEAMN CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)sn2)cc1 ZINC000408514943 563992930 /nfs/dbraw/zinc/99/29/30/563992930.db2.gz FRAGEAQYUCZBSK-XHDPSFHLSA-N 0 1 341.436 3.926 50 30 EHEAMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)sn2)cc1 ZINC000408514943 563992931 /nfs/dbraw/zinc/99/29/31/563992931.db2.gz FRAGEAQYUCZBSK-XHDPSFHLSA-N 0 1 341.436 3.926 50 30 EHEAMN N#Cc1ccccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000007006775 564103083 /nfs/dbraw/zinc/10/30/83/564103083.db2.gz NZWQQHRGXBBARJ-UHFFFAOYSA-N 0 1 327.192 3.666 50 30 EHEAMN N#Cc1ccc(F)c(CN2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000089878674 564114673 /nfs/dbraw/zinc/11/46/73/564114673.db2.gz RPYPKFPUMMEZMQ-KRWDZBQOSA-N 0 1 334.398 3.712 50 30 EHEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N[C@H]2c2ccc(Cl)cc2)cc1 ZINC000004311396 564161619 /nfs/dbraw/zinc/16/16/19/564161619.db2.gz WPHRCQZZDCVTJH-HNNXBMFYSA-N 0 1 327.767 3.514 50 30 EHEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000004311397 564161650 /nfs/dbraw/zinc/16/16/50/564161650.db2.gz WPHRCQZZDCVTJH-OAHLLOKOSA-N 0 1 327.767 3.514 50 30 EHEAMN CCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccnc1 ZINC000005101053 1042829704 /nfs/dbraw/zinc/82/97/04/1042829704.db2.gz LXTPMUVWUOYBKR-OAQYLSRUSA-N 0 1 347.418 3.999 50 30 EHEAMN C=CCOc1c(Cl)cc(CN[C@H](C)c2nnc[nH]2)cc1Cl ZINC000055401633 214319201 /nfs/dbraw/zinc/31/92/01/214319201.db2.gz RUXOIJHSYSLLKL-SECBINFHSA-N 0 1 327.215 3.527 50 30 EHEAMN COc1cc(-c2cc(-c3cc[nH]c3)nc(N)c2C#N)cc(Cl)c1O ZINC000071576250 203100190 /nfs/dbraw/zinc/10/01/90/203100190.db2.gz OUIQUGHVQOYQJQ-UHFFFAOYSA-N 0 1 340.770 3.565 50 30 EHEAMN Cc1c(CN2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc(C#N)n1C ZINC000077471255 203390189 /nfs/dbraw/zinc/39/01/89/203390189.db2.gz ZKQRIQRDWLJBLY-LJQANCHMSA-N 0 1 333.439 3.727 50 30 EHEAMN CN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1F ZINC000100259457 206219417 /nfs/dbraw/zinc/21/94/17/206219417.db2.gz TWKFFRBNVTZGKV-IDTYTIONSA-N 0 1 345.757 3.531 50 30 EHEAMN COc1ccc2nc(C)cc(C(=O)C(C#N)c3nc(C)cs3)c2c1 ZINC000093242880 218207124 /nfs/dbraw/zinc/20/71/24/218207124.db2.gz FNSIDSXFQXQBAQ-HNNXBMFYSA-N 0 1 337.404 3.807 50 30 EHEAMN COc1ccc2nc(C)cc(C(=O)[C@H](C#N)c3nc(C)cs3)c2c1 ZINC000093242880 218207126 /nfs/dbraw/zinc/20/71/26/218207126.db2.gz FNSIDSXFQXQBAQ-HNNXBMFYSA-N 0 1 337.404 3.807 50 30 EHEAMN CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)c(O)c1 ZINC000330032760 258002198 /nfs/dbraw/zinc/00/21/98/258002198.db2.gz RNIDDFXOLPXDRB-KRWDZBQOSA-N 0 1 346.471 3.921 50 30 EHEAMN C=C(C)CN(CC)C(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000000236154 518592062 /nfs/dbraw/zinc/59/20/62/518592062.db2.gz QJLSIOQSJLBXHR-UHFFFAOYSA-N 0 1 334.891 3.977 50 30 EHEAMN CCOc1cccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)c1O ZINC000001473760 563391059 /nfs/dbraw/zinc/39/10/59/563391059.db2.gz SHXNNJYUVQVXKK-WOJGMQOQSA-N 0 1 340.408 3.594 50 30 EHEAMN COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1O ZINC000035362426 563496028 /nfs/dbraw/zinc/49/60/28/563496028.db2.gz ROZNWVOFHPOWDK-FNORWQNLSA-N 0 1 327.336 3.822 50 30 EHEAMN CCCCOc1ccccc1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000006072749 563558672 /nfs/dbraw/zinc/55/86/72/563558672.db2.gz STAPSVSPCYYWST-GIJQJNRQSA-N 0 1 344.362 3.647 50 30 EHEAMN Cc1cc(C)n([C@@H](C)C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)n1 ZINC000096411686 563950705 /nfs/dbraw/zinc/95/07/05/563950705.db2.gz POXMMYVGAGVDOF-NSHDSACASA-N 0 1 344.806 3.788 50 30 EHEAMN CCC1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2)C1=O ZINC000004675567 563963662 /nfs/dbraw/zinc/96/36/62/563963662.db2.gz FQRPOUBLXAAISR-YXCPHSOBSA-N 0 1 327.409 3.524 50 30 EHEAMN Cc1cn(-c2ccccc2)nc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000187468190 563973422 /nfs/dbraw/zinc/97/34/22/563973422.db2.gz PNAZXJMOVMXRDS-HNNXBMFYSA-N 0 1 341.374 3.547 50 30 EHEAMN CCCCCCCOc1ccccc1C=NNC1=NC(=O)CS1 ZINC000097965421 563982124 /nfs/dbraw/zinc/98/21/24/563982124.db2.gz CAVKUEMZASTIFN-LDADJPATSA-N 0 1 333.457 3.589 50 30 EHEAMN O=C(C=C(O)C(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000100758249 563995221 /nfs/dbraw/zinc/99/52/21/563995221.db2.gz FLRFTQVSZOSQBF-GDNBJRDFSA-N 0 1 346.180 3.712 50 30 EHEAMN C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C2CC2)O1 ZINC000329896919 564001335 /nfs/dbraw/zinc/00/13/35/564001335.db2.gz CRQAKKFOYCZMGO-PXAZEXFGSA-N 0 1 347.846 3.689 50 30 EHEAMN Cn1nccc1C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000159807578 564054337 /nfs/dbraw/zinc/05/43/37/564054337.db2.gz IVTFGGMSOBCGNT-GFCCVEGCSA-N 0 1 342.811 3.687 50 30 EHEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(O)cc2)c1 ZINC000001879272 564117906 /nfs/dbraw/zinc/11/79/06/564117906.db2.gz ITBOXPWBAJKLFV-WOJGMQOQSA-N 0 1 340.408 3.594 50 30 EHEAMN Oc1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(Cl)c2)cc1O ZINC000001274994 564117912 /nfs/dbraw/zinc/11/79/12/564117912.db2.gz HMZXJZBVXNTPGY-CAOOACKPSA-N 0 1 346.799 3.554 50 30 EHEAMN C=CCSc1ccccc1NS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000007709657 564122138 /nfs/dbraw/zinc/12/21/38/564122138.db2.gz KUBMWRXCQRVFBX-UHFFFAOYSA-N 0 1 347.461 3.968 50 30 EHEAMN N#Cc1c2c(c(Nc3ccncc3)n3c4ccccc4nc13)CCC2 ZINC000000183193 564132974 /nfs/dbraw/zinc/13/29/74/564132974.db2.gz VETKZUMRNCXGSX-UHFFFAOYSA-N 0 1 325.375 3.986 50 30 EHEAMN C[C@H](Nc1nccc(C#N)c1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000095414930 564139742 /nfs/dbraw/zinc/13/97/42/564139742.db2.gz XPHXJOBJCKCPJR-QMMMGPOBSA-N 0 1 342.746 3.564 50 30 EHEAMN Cc1csc(C(C#N)C(=O)c2cnn(CC(C)C)c2C2CC2)n1 ZINC000095454195 564140614 /nfs/dbraw/zinc/14/06/14/564140614.db2.gz IJBSVSSRRHUBBP-ZDUSSCGKSA-N 0 1 328.441 3.672 50 30 EHEAMN Cc1ccc(S(=O)(=O)Nc2ccccc2N=Cc2ccc[nH]2)cc1 ZINC000254790861 564155270 /nfs/dbraw/zinc/15/52/70/564155270.db2.gz HOEWBIJCMRYCIC-UHFFFAOYSA-N 0 1 339.420 3.875 50 30 EHEAMN C/C(=N\N(C)c1cc(C)nc(-c2ccccc2O)n1)c1ccccc1O ZINC000004977391 1042701126 /nfs/dbraw/zinc/70/11/26/1042701126.db2.gz MCMVODFRICIARZ-OEAKJJBVSA-N 0 1 348.406 3.724 50 30 EHEAMN CCc1ccc(-c2n[nH]c(SCC(=O)c3cccc(C#N)c3)n2)cc1 ZINC000952876085 1137483177 /nfs/dbraw/zinc/48/31/77/1137483177.db2.gz IVMADYNBMNUTEO-UHFFFAOYSA-N 0 1 348.431 3.881 50 30 EHEAMN COc1ccccc1[C@H](CNc1oc(C(C)(C)C)nc1C#N)N(C)C ZINC000027664457 202159575 /nfs/dbraw/zinc/15/95/75/202159575.db2.gz OTJWWDOZVXQQME-HNNXBMFYSA-N 0 1 342.443 3.567 50 30 EHEAMN CCn1cc(CN2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)cc1C#N ZINC000077537846 203394475 /nfs/dbraw/zinc/39/44/75/203394475.db2.gz UFIIHNLSJDMOEE-GOSISDBHSA-N 0 1 337.402 3.732 50 30 EHEAMN C=CCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(C)cc1 ZINC000016750384 211933064 /nfs/dbraw/zinc/93/30/64/211933064.db2.gz MYJZLMQCKXJVQS-FQEVSTJZSA-N 0 1 345.402 3.822 50 30 EHEAMN N#Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000303953 206231556 /nfs/dbraw/zinc/23/15/56/206231556.db2.gz LKNSUKRYWFRTDX-UHFFFAOYSA-N 0 1 327.192 3.666 50 30 EHEAMN CCCN(Cc1ccc(C#CC(C)(C)O)s1)Cc1cccnc1 ZINC000055153044 521681662 /nfs/dbraw/zinc/68/16/62/521681662.db2.gz YIXFETPNGDXEGY-UHFFFAOYSA-N 0 1 328.481 3.678 50 30 EHEAMN N#CC(C(=O)OCc1ccccc1)c1nc2ccccc2nc1Cl ZINC000005031681 526492219 /nfs/dbraw/zinc/49/22/19/526492219.db2.gz IHRAGUHMFUJAOS-CYBMUJFWSA-N 0 1 337.766 3.634 50 30 EHEAMN CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccccc1Cl ZINC000000067039 563214392 /nfs/dbraw/zinc/21/43/92/563214392.db2.gz PWCCMTSEFZVAAH-HNNXBMFYSA-N 0 1 328.803 3.590 50 30 EHEAMN Cc1cc(NC=C(N=Nc2ccccc2)C(=O)c2ccccc2)n[nH]1 ZINC000103829231 563983452 /nfs/dbraw/zinc/98/34/52/563983452.db2.gz INCQIPPNTGKWPG-KELYRIONSA-N 0 1 331.379 3.771 50 30 EHEAMN Cc1ccc(/C=N/N=C2/SC(C)C(=O)N2Cc2ccccc2)cc1 ZINC000004907736 563992368 /nfs/dbraw/zinc/99/23/68/563992368.db2.gz PWTAJCXUVVXLSP-SPIFRSATSA-N 0 1 337.448 3.849 50 30 EHEAMN Cc1ccc(/C=N/N=C2/SC(C)C(=O)N2Cc2ccccc2)cc1 ZINC000004907742 563992385 /nfs/dbraw/zinc/99/23/85/563992385.db2.gz PWTAJCXUVVXLSP-VRYAQOKTSA-N 0 1 337.448 3.849 50 30 EHEAMN C=C(C)[C@H](CC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1)OCC ZINC000270110350 563997705 /nfs/dbraw/zinc/99/77/05/563997705.db2.gz SJZQTASHAVWTDE-ROUUACIJSA-N 0 1 341.455 3.906 50 30 EHEAMN COc1cc(CN(C)Cc2ccc(C#N)cc2)ccc1OC(F)F ZINC000012997914 564086115 /nfs/dbraw/zinc/08/61/15/564086115.db2.gz ZGWXNDKVCQOOFV-UHFFFAOYSA-N 0 1 332.350 3.800 50 30 EHEAMN CC(=O)c1ccc(C(=O)Nc2nc(-c3sccc3C)n[nH]2)cc1 ZINC000095395260 564139446 /nfs/dbraw/zinc/13/94/46/564139446.db2.gz TYFDFAGJGJDBNK-UHFFFAOYSA-N 0 1 326.381 3.681 50 30 EHEAMN CSc1nc2n(n1)[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000008914696 564167915 /nfs/dbraw/zinc/16/79/15/564167915.db2.gz WTDDKFMWBRNPNW-ZDUSSCGKSA-N 0 1 346.481 3.720 50 30 EHEAMN Cc1c(CN[C@@H](c2nc3cc(C)ccc3[nH]2)C(C)C)cc(C#N)n1C ZINC000952973042 1137484344 /nfs/dbraw/zinc/48/43/44/1137484344.db2.gz XHJXVDZZEVXGBE-LJQANCHMSA-N 0 1 335.455 3.877 50 30 EHEAMN Cc1c(CN[C@@H](c2nc3ccc(C)cc3[nH]2)C(C)C)cc(C#N)n1C ZINC000952973042 1137484345 /nfs/dbraw/zinc/48/43/45/1137484345.db2.gz XHJXVDZZEVXGBE-LJQANCHMSA-N 0 1 335.455 3.877 50 30 EHEAMN C#CCCN1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000065945091 215000905 /nfs/dbraw/zinc/00/09/05/215000905.db2.gz GKMXUAJUFHBDSG-UHFFFAOYSA-N 0 1 348.475 3.504 50 30 EHEAMN N#CC(C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)c1ccccn1 ZINC000069744332 203046483 /nfs/dbraw/zinc/04/64/83/203046483.db2.gz WPFTXERAYGFMQS-KFWWJZLASA-N 0 1 341.208 3.824 50 30 EHEAMN C=CCSc1nnc(NC(=O)c2cc(-c3ccccc3)on2)s1 ZINC000011917171 258018184 /nfs/dbraw/zinc/01/81/84/258018184.db2.gz AJBLEGVOKJBHLU-UHFFFAOYSA-N 0 1 344.421 3.724 50 30 EHEAMN COc1ccc(CN[C@H]2COc3ccccc32)cc1OCCCC#N ZINC000105468236 524094281 /nfs/dbraw/zinc/09/42/81/524094281.db2.gz IQTJZRBJOANGCQ-KRWDZBQOSA-N 0 1 338.407 3.601 50 30 EHEAMN Cc1cc(NN=Cc2ccc([N+](=O)[O-])cc2)nc(SC(C)C)n1 ZINC000005362407 525042820 /nfs/dbraw/zinc/04/28/20/525042820.db2.gz ADDKDMCBFAYPBV-CXUHLZMHSA-N 0 1 331.401 3.640 50 30 EHEAMN CCOc1ccc(C(=O)[C@H](C)Sc2nc3c([nH]2)C(C)=CC3=O)cc1 ZINC000000407733 563307263 /nfs/dbraw/zinc/30/72/63/563307263.db2.gz NPRSUWNDOVOVBW-NSHDSACASA-N 0 1 342.420 3.772 50 30 EHEAMN CCC1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2)C1=O ZINC000004888454 563992251 /nfs/dbraw/zinc/99/22/51/563992251.db2.gz JGCAYIXBIPNGOY-MHCYFFLUSA-N 0 1 337.448 3.931 50 30 EHEAMN CCC1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2C)C1=O ZINC000004901881 563992348 /nfs/dbraw/zinc/99/23/48/563992348.db2.gz ZONLYPIJWOAPRU-QPNCIOBRSA-N 0 1 341.436 3.832 50 30 EHEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000005819008 564056096 /nfs/dbraw/zinc/05/60/96/564056096.db2.gz FQJFCHMOYCLXOF-AWEZNQCLSA-N 0 1 348.185 3.859 50 30 EHEAMN N#Cc1c2c(sc1NC(=O)CN1CCC[C@@H]3CCCC[C@@H]31)CCC2 ZINC000007587373 564117956 /nfs/dbraw/zinc/11/79/56/564117956.db2.gz BGQSRJFKDINVFF-BBRMVZONSA-N 0 1 343.496 3.702 50 30 EHEAMN C=CCN(C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccc(Cl)c1 ZINC000230476010 564155968 /nfs/dbraw/zinc/15/59/68/564155968.db2.gz QZFDAUGRYHUDJB-WBVHZDCISA-N 0 1 335.879 3.550 50 30 EHEAMN N#Cc1cccnc1NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000040160638 564168485 /nfs/dbraw/zinc/16/84/85/564168485.db2.gz SBNWHMBHFYXSDE-QGZVFWFLSA-N 0 1 326.831 3.856 50 30 EHEAMN O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)N1CCc2ccc(O)cc2C1 ZINC000328611695 1018001406 /nfs/dbraw/zinc/00/14/06/1018001406.db2.gz ORXHVDSXSFJLHR-RZDIXWSQSA-N 0 1 340.398 3.750 50 30 EHEAMN CC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccnc1 ZINC000005101046 1042829896 /nfs/dbraw/zinc/82/98/96/1042829896.db2.gz AHLCIVODOFZUCJ-HXUWFJFHSA-N 0 1 333.391 3.608 50 30 EHEAMN CCOC(=O)N1CCC(/N=C\c2cc(Cl)cc(Cl)c2O)CC1 ZINC000105496934 1139353594 /nfs/dbraw/zinc/35/35/94/1139353594.db2.gz GLXGRVLUJXUTDU-NVMNQCDNSA-N 0 1 345.226 3.739 50 30 EHEAMN COc1cc(/C=C2\CCc3ccccc3C2=O)cc([N+](=O)[O-])c1O ZINC000035600425 202307441 /nfs/dbraw/zinc/30/74/41/202307441.db2.gz CXGNJDJVROXUAG-MDWZMJQESA-N 0 1 325.320 3.522 50 30 EHEAMN N#Cc1c(=O)[nH]c(SCc2ccc(Cl)cc2)nc1-c1ccco1 ZINC000036081920 202313072 /nfs/dbraw/zinc/31/30/72/202313072.db2.gz ISNFJEQAVKWYOG-UHFFFAOYSA-N 0 1 343.795 3.847 50 30 EHEAMN O=C(/C=C/c1cc(Cl)cc2c1OCOC2)c1cc(F)ccc1O ZINC000004845478 201360709 /nfs/dbraw/zinc/36/07/09/201360709.db2.gz PIURPIWMOVRWBZ-HNQUOIGGSA-N 0 1 334.730 3.947 50 30 EHEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cccc2cccnc21 ZINC000100944440 204000509 /nfs/dbraw/zinc/00/05/09/204000509.db2.gz GXQROQGWCVHWGW-NEIHUHTASA-N 0 1 328.375 3.976 50 30 EHEAMN CCCC[N@@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccnc1)O2 ZINC000020533336 520417564 /nfs/dbraw/zinc/41/75/64/520417564.db2.gz BPCAXMVPVNTGJT-WQRHYEAKSA-N 0 1 338.407 3.635 50 30 EHEAMN O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)n1ncnc1N2 ZINC000000066981 563214422 /nfs/dbraw/zinc/21/44/22/563214422.db2.gz WRDNTZOCAOVAOF-AWEZNQCLSA-N 0 1 335.194 3.607 50 30 EHEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccccc2N2CCCC2)c1O ZINC000005024758 563993832 /nfs/dbraw/zinc/99/38/32/563993832.db2.gz LGHSTJXDWBBDPR-XDHOZWIPSA-N 0 1 341.367 3.660 50 30 EHEAMN CCCC1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2)C1=O ZINC000005092569 563994286 /nfs/dbraw/zinc/99/42/86/563994286.db2.gz FZVNHHVAJMYSBL-WWAMGSKZSA-N 0 1 341.436 3.914 50 30 EHEAMN N#Cc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccco1)N1CCCCC1 ZINC000005698992 564019314 /nfs/dbraw/zinc/01/93/14/564019314.db2.gz YYGRZOLUVMUZFF-QGZVFWFLSA-N 0 1 340.383 3.699 50 30 EHEAMN CCCC1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2)C1=O ZINC000002260132 564125335 /nfs/dbraw/zinc/12/53/35/564125335.db2.gz FZVNHHVAJMYSBL-KVBLSVFTSA-N 0 1 341.436 3.914 50 30 EHEAMN O=C([N-]c1cn(C23CC4CC(CC(C4)C2)C3)n[o+]1)Nc1ccccc1 ZINC000135913631 564130138 /nfs/dbraw/zinc/13/01/38/564130138.db2.gz PZCPRMSSYYSKRX-UHFFFAOYSA-O 0 1 339.419 3.545 50 30 EHEAMN Cc1cc(C(C#N)C(=O)c2cc3c(s2)CCCCC3)nc(C)n1 ZINC000041573983 564174109 /nfs/dbraw/zinc/17/41/09/564174109.db2.gz KDJHHSOMMHCHCD-CQSZACIVSA-N 0 1 325.437 3.914 50 30 EHEAMN Cc1n[nH]c(C(F)F)c1NC(=O)CCc1nnc(C2CCCC2)o1 ZINC000329258122 1038408135 /nfs/dbraw/zinc/40/81/35/1038408135.db2.gz CFJFWXITGYMLJS-UHFFFAOYSA-N 0 1 339.346 3.917 50 30 EHEAMN C/C(=N/N1CCN(Cc2cccc3ccccc32)CC1)c1cccnc1 ZINC000020103002 202032198 /nfs/dbraw/zinc/03/21/98/202032198.db2.gz LNPOBRXJZYGQMS-MOHJPFBDSA-N 0 1 344.462 3.777 50 30 EHEAMN COc1ccccc1[C@@H](CNc1oc(C(C)(C)C)nc1C#N)N(C)C ZINC000027664456 202159510 /nfs/dbraw/zinc/15/95/10/202159510.db2.gz OTJWWDOZVXQQME-OAHLLOKOSA-N 0 1 342.443 3.567 50 30 EHEAMN COc1ccc([C@@H]2CCCN2[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000036408815 201080051 /nfs/dbraw/zinc/08/00/51/201080051.db2.gz MWJNVGMFLSTTPX-QRWLVFNGSA-N 0 1 349.434 3.731 50 30 EHEAMN N#Cc1c(=O)[nH]c(SCc2ccccc2F)nc1-c1ccccc1 ZINC000005238212 205762483 /nfs/dbraw/zinc/76/24/83/205762483.db2.gz KBPHYAAZBIUSEG-UHFFFAOYSA-N 0 1 337.379 3.740 50 30 EHEAMN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)C(C#N)c1ccccn1 ZINC000071892403 563471107 /nfs/dbraw/zinc/47/11/07/563471107.db2.gz YPNDFZDFDGJNNM-UKRRQHHQSA-N 0 1 333.395 3.596 50 30 EHEAMN CC(/C=C/c1ccccc1)=N\N=C1\NC(=O)C(Cc2ccccc2)S1 ZINC000005010025 563518531 /nfs/dbraw/zinc/51/85/31/563518531.db2.gz WQESMCJEFRIXEH-IHVCVROBSA-N 0 1 349.459 3.906 50 30 EHEAMN C=CCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@@H]1c1ccc(C)cc1 ZINC000016741400 563822139 /nfs/dbraw/zinc/82/21/39/563822139.db2.gz ZSBYJBSFQZSAFF-INIZCTEOSA-N 0 1 339.416 3.821 50 30 EHEAMN C=C(Br)CN[C@@H](c1ccc(OC)cc1)C1CCOCC1 ZINC000096492488 563955693 /nfs/dbraw/zinc/95/56/93/563955693.db2.gz OBWANRPLEQLKMR-INIZCTEOSA-N 0 1 340.261 3.661 50 30 EHEAMN C[C@H]1CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C2CC2)O1 ZINC000329896920 564001326 /nfs/dbraw/zinc/00/13/26/564001326.db2.gz CRQAKKFOYCZMGO-SJCJKPOMSA-N 0 1 347.846 3.689 50 30 EHEAMN CCc1nc(SCc2ccc(Cl)c(Cl)c2)[nH]c(=O)c1C#N ZINC000005238888 564001347 /nfs/dbraw/zinc/00/13/47/564001347.db2.gz YVPRLZOQYQCTSU-UHFFFAOYSA-N 0 1 340.235 3.803 50 30 EHEAMN N#Cc1cccc(CNCc2cccc(NC(=O)C3CCCC3)c2)c1 ZINC000048781374 564032154 /nfs/dbraw/zinc/03/21/54/564032154.db2.gz PSFPIPOAUAPFKZ-UHFFFAOYSA-N 0 1 333.435 3.977 50 30 EHEAMN N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCCCC2 ZINC000003245445 564058689 /nfs/dbraw/zinc/05/86/89/564058689.db2.gz UPGKSJFPGVBXOD-UHFFFAOYSA-N 0 1 331.353 3.642 50 30 EHEAMN CCC1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2)C1=O ZINC000002344405 564132401 /nfs/dbraw/zinc/13/24/01/564132401.db2.gz LGERHHYECJMWLG-KUFCMUKVSA-N 0 1 343.477 3.992 50 30 EHEAMN N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1NCCN1CCCCC1 ZINC000096346286 564146844 /nfs/dbraw/zinc/14/68/44/564146844.db2.gz AMXZVVRBMMDOHF-IRXDYDNUSA-N 0 1 336.439 3.715 50 30 EHEAMN COc1ccc(C(=O)/C=C/c2cc(Cl)cc3c2OCOC3)c(O)c1 ZINC000004028429 201359818 /nfs/dbraw/zinc/35/98/18/201359818.db2.gz ALYKIIZTHJRFPD-GORDUTHDSA-N 0 1 346.766 3.817 50 30 biogenic EHEAMN C=CCc1cccc2cc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)c(=O)oc21 ZINC000020615310 212156035 /nfs/dbraw/zinc/15/60/35/212156035.db2.gz KRVZCVLLAGRAMT-UHFFFAOYSA-N 0 1 347.330 3.973 50 30 EHEAMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)[C@H]1CCc2n[nH]cc2C1 ZINC000328586473 258046734 /nfs/dbraw/zinc/04/67/34/258046734.db2.gz XSTIKVYACWVLCD-NSHDSACASA-N 0 1 347.378 3.939 50 30 EHEAMN C#Cc1ccc(CN[C@H](C)c2cnc(-c3ccncc3)nc2C)cc1 ZINC000020537818 518358430 /nfs/dbraw/zinc/35/84/30/518358430.db2.gz UMXRMBMUHYZIDJ-OAHLLOKOSA-N 0 1 328.419 3.679 50 30 EHEAMN C=CCc1ccccc1OCC[N@H+](C)Cc1ccccc1C(=O)[O-] ZINC000055269763 519143030 /nfs/dbraw/zinc/14/30/30/519143030.db2.gz MKNGIHJLTZYIAC-UHFFFAOYSA-N 0 1 325.408 3.624 50 30 EHEAMN CCN(CC)c1ccc(C=Nn2c(=S)[nH]nc2-c2ccco2)cc1 ZINC000001240781 563381028 /nfs/dbraw/zinc/38/10/28/563381028.db2.gz VGEGTZRKKIEDEN-LDADJPATSA-N 0 1 341.440 3.929 50 30 EHEAMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000011708793 563994165 /nfs/dbraw/zinc/99/41/65/563994165.db2.gz WEZOCWYHMKSSFQ-GJZGRUSLSA-N 0 1 337.423 3.635 50 30 EHEAMN COc1cccc(NC(=O)C(O)=CC(=O)c2ccc(Cl)cc2)c1 ZINC000101355169 564019384 /nfs/dbraw/zinc/01/93/84/564019384.db2.gz ZFSZPYXIYDXVIO-YBEGLDIGSA-N 0 1 331.755 3.612 50 30 EHEAMN CC1SC(=NN=Cc2c3ccccc3cc3ccccc32)NC1=O ZINC000252633657 564124468 /nfs/dbraw/zinc/12/44/68/564124468.db2.gz WFFWYBSBNIEHHX-LBPRGKRZSA-N 0 1 333.416 3.934 50 30 EHEAMN CN(CC(=O)N(C)C1(C#N)CCCCC1)[C@H]1CCCc2ccccc21 ZINC000008339516 564164600 /nfs/dbraw/zinc/16/46/00/564164600.db2.gz IIWXDYIPPZPCNX-IBGZPJMESA-N 0 1 339.483 3.681 50 30 EHEAMN CCO[C@@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000069846642 564172512 /nfs/dbraw/zinc/17/25/12/564172512.db2.gz RJPHRNBNGAHWLJ-VHSXEESVSA-N 0 1 336.363 3.690 50 30 EHEAMN COc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000024715978 202118979 /nfs/dbraw/zinc/11/89/79/202118979.db2.gz MWJNVGMFLSTTPX-YWZLYKJASA-N 0 1 349.434 3.731 50 30 EHEAMN Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H](C)C2)ccc1Cl ZINC000032855963 202238580 /nfs/dbraw/zinc/23/85/80/202238580.db2.gz WZXHHCMNDIZMSQ-AWEZNQCLSA-N 0 1 333.863 3.627 50 30 EHEAMN CCc1n[nH]c(=S)n1N=Cc1cccc(OC(F)(F)C(F)F)c1 ZINC000036611503 202325694 /nfs/dbraw/zinc/32/56/94/202325694.db2.gz OZRWVSRNXJFNBG-CNHKJKLMSA-N 0 1 348.325 3.622 50 30 EHEAMN Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(C#N)cc1 ZINC000048340897 204347022 /nfs/dbraw/zinc/34/70/22/204347022.db2.gz PHTGGORMUVETLH-UHFFFAOYSA-N 0 1 330.435 3.710 50 30 EHEAMN CC/C(=N\N=C1/SC(C)C(=O)N1Cc1ccco1)c1ccccc1 ZINC000004754752 520178449 /nfs/dbraw/zinc/17/84/49/520178449.db2.gz IOQGCFQJRDDVBG-HDZGLOTHSA-N 0 1 341.436 3.914 50 30 EHEAMN C#Cc1cccc(NC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000072230589 563877268 /nfs/dbraw/zinc/87/72/68/563877268.db2.gz PBYSZPHEOTXPSZ-GOSISDBHSA-N 0 1 337.423 3.528 50 30 EHEAMN CCC1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000004954876 563993370 /nfs/dbraw/zinc/99/33/70/563993370.db2.gz HVFHBRLASUMCCI-NUOSEKPUSA-N 0 1 345.399 3.663 50 30 EHEAMN CN(C)[C@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccs1 ZINC000048374678 564031707 /nfs/dbraw/zinc/03/17/07/564031707.db2.gz MFZZPSXWVPGQMX-CQSZACIVSA-N 0 1 348.859 3.698 50 30 EHEAMN N#C[C@H](C(=O)c1ccccc1-n1cccn1)c1nc2ccccc2s1 ZINC000048823730 564032252 /nfs/dbraw/zinc/03/22/52/564032252.db2.gz JOBCQHRYIQCQDW-CQSZACIVSA-N 0 1 344.399 3.972 50 30 EHEAMN N#CC(C(=O)c1ccccc1-n1cccn1)c1nc2ccccc2s1 ZINC000048823730 564032253 /nfs/dbraw/zinc/03/22/53/564032253.db2.gz JOBCQHRYIQCQDW-CQSZACIVSA-N 0 1 344.399 3.972 50 30 EHEAMN COc1cccc(C=Nn2c(=S)[nH]nc2-c2cccc(OC)c2)c1 ZINC000005911333 564093363 /nfs/dbraw/zinc/09/33/63/564093363.db2.gz ROHIVWGBMGCJMW-WOJGMQOQSA-N 0 1 340.408 3.507 50 30 EHEAMN Cc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(C#N)cc3)[nH]c2c1 ZINC000006908931 564101133 /nfs/dbraw/zinc/10/11/33/564101133.db2.gz FKTFDWJGSHTEGE-GFCCVEGCSA-N 0 1 336.420 3.862 50 30 EHEAMN Cc1cccc(-c2n[nH]c(=S)n2N=Cc2cccc([N+](=O)[O-])c2)c1 ZINC000005981741 564112608 /nfs/dbraw/zinc/11/26/08/564112608.db2.gz WYOFBBQKUFWURX-LICLKQGHSA-N 0 1 339.380 3.707 50 30 EHEAMN N#CC(C(=O)Cc1coc(-c2cccs2)n1)c1nc2ccccc2[nH]1 ZINC000078787826 564137189 /nfs/dbraw/zinc/13/71/89/564137189.db2.gz NSRQYUCIKBBBIT-LBPRGKRZSA-N 0 1 348.387 3.698 50 30 EHEAMN CC(C)Cc1nc(NC(=O)CCn2ccc3ccc(F)cc32)n[nH]1 ZINC000095474802 564141343 /nfs/dbraw/zinc/14/13/43/564141343.db2.gz PNKFLBOZCJHEHW-UHFFFAOYSA-N 0 1 329.379 3.775 50 30 EHEAMN CC(C)Cc1n[nH]c(NC(=O)CCn2ccc3ccc(F)cc32)n1 ZINC000095474802 564141344 /nfs/dbraw/zinc/14/13/44/564141344.db2.gz PNKFLBOZCJHEHW-UHFFFAOYSA-N 0 1 329.379 3.775 50 30 EHEAMN CCOc1ccc(/C=C/C(=O)c2ccc(NC(C)=O)cc2O)cc1 ZINC000032502218 564161574 /nfs/dbraw/zinc/16/15/74/564161574.db2.gz CBFBPWNLTRWSLU-IZZDOVSWSA-N 0 1 325.364 3.645 50 30 EHEAMN CC[C@H](OC)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000068725505 564167668 /nfs/dbraw/zinc/16/76/68/564167668.db2.gz LMUDHIBCXZTDBN-RNCFNFMXSA-N 0 1 336.363 3.690 50 30 EHEAMN CC1S/C(=N\N=C\c2cccs2)N(Cc2ccc(F)cc2)C1=O ZINC000009434993 564173724 /nfs/dbraw/zinc/17/37/24/564173724.db2.gz OBAYXSPGGAXNFA-MWIMKKNQSA-N 0 1 347.440 3.741 50 30 EHEAMN C=CCn1cc(CN[C@H]2CC(C)(C)Oc3ccc(OC)cc32)c(C)n1 ZINC000055245220 214295761 /nfs/dbraw/zinc/29/57/61/214295761.db2.gz PJQNSEFQZUACPA-SFHVURJKSA-N 0 1 341.455 3.778 50 30 EHEAMN Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H](C)C2)ccc1Cl ZINC000032855962 202239020 /nfs/dbraw/zinc/23/90/20/202239020.db2.gz WZXHHCMNDIZMSQ-CQSZACIVSA-N 0 1 333.863 3.627 50 30 EHEAMN Cc1cc2c(cc1CN1CCC(C#N)(c3ccccc3)CC1)OCO2 ZINC000216514475 241198946 /nfs/dbraw/zinc/19/89/46/241198946.db2.gz VUSXASYXKZPDPY-UHFFFAOYSA-N 0 1 334.419 3.781 50 30 EHEAMN Cc1ccc(CC(=O)ONC(=N)Cc2cccc3ccccc32)cc1 ZINC000004978495 524278917 /nfs/dbraw/zinc/27/89/17/524278917.db2.gz DVNCJGNQQQSNNA-UHFFFAOYSA-N 0 1 332.403 3.749 50 30 EHEAMN N=C(Cc1ccc(Cl)c(Cl)c1)NOC(=O)c1cccs1 ZINC000004685105 563507691 /nfs/dbraw/zinc/50/76/91/563507691.db2.gz MXWMURAWIXCINV-UHFFFAOYSA-N 0 1 329.208 3.727 50 30 EHEAMN Oc1ccc(Cl)cc1C=Nn1c(=S)[nH]nc1-c1ccccc1 ZINC000005516937 563536532 /nfs/dbraw/zinc/53/65/32/563536532.db2.gz ZKEMXGXCRMHCJE-RQZCQDPDSA-N 0 1 330.800 3.849 50 30 EHEAMN N#Cc1ccc(OCCSc2nc(-c3cccs3)n[nH]2)cc1 ZINC000014095765 563983200 /nfs/dbraw/zinc/98/32/00/563983200.db2.gz LVVPRIXKGPVNLB-UHFFFAOYSA-N 0 1 328.422 3.576 50 30 EHEAMN COc1ccc(CN(C)Cc2cccc(C#N)c2)cc1OC(F)F ZINC000026452921 564082249 /nfs/dbraw/zinc/08/22/49/564082249.db2.gz KZOCINJUKCREFV-UHFFFAOYSA-N 0 1 332.350 3.800 50 30 EHEAMN COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1[N+](=O)[O-] ZINC000252643179 564124723 /nfs/dbraw/zinc/12/47/23/564124723.db2.gz ZTDMUEPMXUFHQI-UHFFFAOYSA-N 0 1 328.353 3.659 50 30 EHEAMN N#C[C@@H](C(=O)c1ccc2nsnc2c1)c1nc2ccccc2s1 ZINC000390834010 564138864 /nfs/dbraw/zinc/13/88/64/564138864.db2.gz QHRUXSBQSIIEBD-JTQLQIEISA-N 0 1 336.401 3.791 50 30 EHEAMN N#CC(C(=O)c1ccc2nsnc2c1)c1nc2ccccc2s1 ZINC000390834010 564138865 /nfs/dbraw/zinc/13/88/65/564138865.db2.gz QHRUXSBQSIIEBD-JTQLQIEISA-N 0 1 336.401 3.791 50 30 EHEAMN CC(=O)c1ccc(C#N)cc1NC[C@H](c1ccc(F)cc1)N(C)C ZINC000095469191 564141174 /nfs/dbraw/zinc/14/11/74/564141174.db2.gz GHIRAGSJOBRQJL-LJQANCHMSA-N 0 1 325.387 3.615 50 30 EHEAMN CN(C)[C@@H](CNc1oc(-c2ccco2)nc1C#N)c1ccsc1 ZINC000072238614 203184158 /nfs/dbraw/zinc/18/41/58/203184158.db2.gz YAGQAPYQAQVHSY-ZDUSSCGKSA-N 0 1 328.397 3.583 50 30 EHEAMN CCc1n[nH]c(=S)n1N=Cc1cccc(OCc2ccccc2)c1 ZINC000005686830 563545794 /nfs/dbraw/zinc/54/57/94/563545794.db2.gz KDBKDPBUWHSFDO-XDHOZWIPSA-N 0 1 338.436 3.964 50 30 EHEAMN C=CCC[C@H](CN(C)Cc1cnccn1)Oc1ccnc2ccccc21 ZINC000072474121 564063860 /nfs/dbraw/zinc/06/38/60/564063860.db2.gz CCHYLICFKZYRSL-GOSISDBHSA-N 0 1 348.450 3.870 50 30 EHEAMN Cc1c/c(=N\c2ccc(N(C)C)cc2)n2c3ccccc3[nH]c2c1C#N ZINC000013282605 564136162 /nfs/dbraw/zinc/13/61/62/564136162.db2.gz USJBRBKHPHNFCR-BSYVCWPDSA-N 0 1 341.418 3.899 50 30 EHEAMN N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NCCN1CCCCC1 ZINC000096346290 564146853 /nfs/dbraw/zinc/14/68/53/564146853.db2.gz AMXZVVRBMMDOHF-DLBZAZTESA-N 0 1 336.439 3.715 50 30 EHEAMN COc1cc([N+](=O)[O-])cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1O ZINC000035771235 202309459 /nfs/dbraw/zinc/30/94/59/202309459.db2.gz WNVHQBTVLIPNOU-VXLYETTFSA-N 0 1 330.384 3.697 50 30 EHEAMN Cc1ccccc1-c1n[nH]c(=S)n1N=Cc1ccc(N(C)C)cc1 ZINC000006533985 201684954 /nfs/dbraw/zinc/68/49/54/201684954.db2.gz NCUZHICTGZVYJY-XDHOZWIPSA-N 0 1 337.452 3.864 50 30 EHEAMN N#CC(C(=O)[C@@H]1C[C@@H]1c1ccccc1Br)c1ccccn1 ZINC000071850172 203127626 /nfs/dbraw/zinc/12/76/26/203127626.db2.gz QLVDARAVZQQIMR-MCIONIFRSA-N 0 1 341.208 3.824 50 30 EHEAMN NNC=C(N=Nc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000100427706 203994181 /nfs/dbraw/zinc/99/41/81/203994181.db2.gz JWTQIUBRZVPDAH-ZLKNSNGMSA-N 0 1 335.194 3.589 50 30 EHEAMN C=C(C)COc1cccc(C(=O)N(C)Cc2cc(CCC)[nH]n2)c1 ZINC000055242778 518617745 /nfs/dbraw/zinc/61/77/45/518617745.db2.gz AYUUQCIUOQBIAB-UHFFFAOYSA-N 0 1 327.428 3.589 50 30 EHEAMN C=CCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000002705525 563603242 /nfs/dbraw/zinc/60/32/42/563603242.db2.gz FXCWCWGFSZIAAQ-HNNXBMFYSA-N 0 1 343.379 3.652 50 30 EHEAMN N#Cc1ccc(CN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000097941243 563950854 /nfs/dbraw/zinc/95/08/54/563950854.db2.gz JPUMHKGOFNGIRT-SFHVURJKSA-N 0 1 329.407 3.680 50 30 EHEAMN CC1S/C(=N/N=C/c2cccs2)N(Cc2ccc(F)cc2)C1=O ZINC000004952360 563993283 /nfs/dbraw/zinc/99/32/83/563993283.db2.gz OBAYXSPGGAXNFA-TWRKLKJHSA-N 0 1 347.440 3.741 50 30 EHEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cccc2cccnc21 ZINC000018158376 564018457 /nfs/dbraw/zinc/01/84/57/564018457.db2.gz GXQROQGWCVHWGW-KOWBDXASSA-N 0 1 328.375 3.976 50 30 EHEAMN CC1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2)C1=O ZINC000006166726 564077124 /nfs/dbraw/zinc/07/71/24/564077124.db2.gz VSPVHAUHHAFJFU-DNGMLAEQSA-N 0 1 329.450 3.602 50 30 EHEAMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2SC(F)F)cc1 ZINC000007055911 564103987 /nfs/dbraw/zinc/10/39/87/564103987.db2.gz VFMYDMIZLYKTPX-UHFFFAOYSA-N 0 1 340.376 3.674 50 30 EHEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2cccc(C)c2)ccc1O ZINC000001238932 564117920 /nfs/dbraw/zinc/11/79/20/564117920.db2.gz YBMBQKSZTUJTCS-VCHYOVAHSA-N 0 1 340.408 3.513 50 30 EHEAMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H]1c1cccs1 ZINC000252444464 564118448 /nfs/dbraw/zinc/11/84/48/564118448.db2.gz GZIGGMKMSKTHPD-BBRMVZONSA-N 0 1 325.437 3.784 50 30 EHEAMN C=CCSc1ccccc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000007709674 564122162 /nfs/dbraw/zinc/12/21/62/564122162.db2.gz DJEODVCARMCBIE-UHFFFAOYSA-N 0 1 330.434 3.637 50 30 EHEAMN [O-]C(=[NH+][C@H]1CCc2cc(Cl)ccc21)N1CCC(c2cnc[nH]2)CC1 ZINC000328587545 564136568 /nfs/dbraw/zinc/13/65/68/564136568.db2.gz AOMMZYJEDVEINQ-INIZCTEOSA-N 0 1 344.846 3.844 50 30 EHEAMN C=CCN(C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccc(Cl)c1 ZINC000230476055 564155976 /nfs/dbraw/zinc/15/59/76/564155976.db2.gz QZFDAUGRYHUDJB-RDJZCZTQSA-N 0 1 335.879 3.550 50 30 EHEAMN CC[C@H](OC)C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000068723256 564167638 /nfs/dbraw/zinc/16/76/38/564167638.db2.gz IRAYTZPOAQUIAX-ONGXEEELSA-N 0 1 342.342 3.916 50 30 EHEAMN COc1cc(/C=C2\CSc3ccccc3C2=O)cc([N+](=O)[O-])c1O ZINC000041106825 564173261 /nfs/dbraw/zinc/17/32/61/564173261.db2.gz BZIJOQYLHQBHKO-IZZDOVSWSA-N 0 1 343.360 3.681 50 30 EHEAMN CC(C)c1n[nH]c(NC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)n1 ZINC000079490979 217233369 /nfs/dbraw/zinc/23/33/69/217233369.db2.gz GCHGMLZNBRXJOU-UHFFFAOYSA-N 0 1 328.416 3.862 50 30 EHEAMN CC(C)c1nc(NC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)n[nH]1 ZINC000079490979 217233372 /nfs/dbraw/zinc/23/33/72/217233372.db2.gz GCHGMLZNBRXJOU-UHFFFAOYSA-N 0 1 328.416 3.862 50 30 EHEAMN Cc1csc(C(C#N)C(=O)c2cnn(-c3ccccc3Cl)c2)n1 ZINC000050205003 526402897 /nfs/dbraw/zinc/40/28/97/526402897.db2.gz YDJHTLHJDRGNNU-LBPRGKRZSA-N 0 1 342.811 3.781 50 30 EHEAMN CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)sn2)cc1 ZINC000408514941 563992958 /nfs/dbraw/zinc/99/29/58/563992958.db2.gz FRAGEAQYUCZBSK-IAQYHMDHSA-N 0 1 341.436 3.926 50 30 EHEAMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)sn2)cc1 ZINC000408514941 563992959 /nfs/dbraw/zinc/99/29/59/563992959.db2.gz FRAGEAQYUCZBSK-IAQYHMDHSA-N 0 1 341.436 3.926 50 30 EHEAMN C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](OC)c1ccnc2ccc(OC)cc21 ZINC000074348277 564032002 /nfs/dbraw/zinc/03/20/02/564032002.db2.gz QSOFUNXFUMLXCR-CALQCPNCSA-N 0 1 338.451 3.827 50 30 EHEAMN CC(=O)c1ccc(C#N)c(NC2CCN(Cc3ccccc3)CC2)c1 ZINC000095467672 564141155 /nfs/dbraw/zinc/14/11/55/564141155.db2.gz GZXRKPDNWKMTRT-UHFFFAOYSA-N 0 1 333.435 3.837 50 30 EHEAMN CCOc1ccccc1/C=C/C(=O)c1cc(NC(C)=O)ccc1O ZINC000032502243 564161572 /nfs/dbraw/zinc/16/15/72/564161572.db2.gz HNFWKTDOVAYBGH-CSKARUKUSA-N 0 1 325.364 3.645 50 30 EHEAMN CCN(CCC(=O)Nc1ccccc1)Cc1ccc(C#N)cc1F ZINC000052824879 214149411 /nfs/dbraw/zinc/14/94/11/214149411.db2.gz LYYQTHDSEGDCIK-UHFFFAOYSA-N 0 1 325.387 3.548 50 30 EHEAMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(Cc2ccccc2)CC1 ZINC000003416595 210032522 /nfs/dbraw/zinc/03/25/22/210032522.db2.gz CQSZRWLIWGLSJM-KRWDZBQOSA-N 0 1 347.462 3.840 50 30 EHEAMN Oc1cccc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000019773214 212064750 /nfs/dbraw/zinc/06/47/50/212064750.db2.gz HFYHXGPEAQCWAB-XQNSMLJCSA-N 0 1 345.446 3.697 50 30 EHEAMN C[C@@H](Nc1nccc(C#N)c1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000095414931 218353445 /nfs/dbraw/zinc/35/34/45/218353445.db2.gz XPHXJOBJCKCPJR-MRVPVSSYSA-N 0 1 342.746 3.564 50 30 EHEAMN CCCC1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2)C1=O ZINC000005092563 210389006 /nfs/dbraw/zinc/38/90/06/210389006.db2.gz FZVNHHVAJMYSBL-YXUFTKHFSA-N 0 1 341.436 3.914 50 30 EHEAMN CC/C(C)=N/N=c1/[nH]c(-c2cc3cccc(OC)c3oc2=O)cs1 ZINC000004815262 210285468 /nfs/dbraw/zinc/28/54/68/210285468.db2.gz KFEBLGYEVFCJCX-VXLYETTFSA-N 0 1 343.408 3.545 50 30 EHEAMN CCCCCCOc1ccc(/C=N/N=C2\NC(=O)C(C)S2)cc1 ZINC000016818861 520102770 /nfs/dbraw/zinc/10/27/70/520102770.db2.gz DISRUNSTYOJZCY-HTMJNSLASA-N 0 1 333.457 3.587 50 30 EHEAMN O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1Cl)n1ncnc1N2 ZINC000000071133 563215473 /nfs/dbraw/zinc/21/54/73/563215473.db2.gz QZYYADVBFDVCNJ-CQSZACIVSA-N 0 1 335.194 3.607 50 30 EHEAMN COc1ccc(C=Nn2c(=S)[nH]nc2C2CCCCC2)c(OC)c1 ZINC000005879883 563552873 /nfs/dbraw/zinc/55/28/73/563552873.db2.gz UTMIIIRHKFSEHC-WOJGMQOQSA-N 0 1 346.456 3.888 50 30 EHEAMN C=CCc1cccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)c1O ZINC000006492915 563569966 /nfs/dbraw/zinc/56/99/66/563569966.db2.gz PEMIHEDWSNAPDD-XDHOZWIPSA-N 0 1 336.420 3.924 50 30 EHEAMN C/C(=N\N1CCN(Cc2cccc3ccccc32)CC1)c1ccco1 ZINC000013113673 563688220 /nfs/dbraw/zinc/68/82/20/563688220.db2.gz KQTCGRICYMNKIZ-OQKWZONESA-N 0 1 333.435 3.975 50 30 EHEAMN COc1ccc(NC(=O)C(O)=CC(=O)c2ccc(Cl)cc2)cc1 ZINC000100252147 563982467 /nfs/dbraw/zinc/98/24/67/563982467.db2.gz PHTKIGLPLIIZND-YBEGLDIGSA-N 0 1 331.755 3.612 50 30 EHEAMN N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000005698993 564019319 /nfs/dbraw/zinc/01/93/19/564019319.db2.gz YYGRZOLUVMUZFF-KRWDZBQOSA-N 0 1 340.383 3.699 50 30 EHEAMN C#CCN1CCC(C(=O)N2CCC[C@@H]2c2cccc3ccccc32)CC1 ZINC000058299479 564065317 /nfs/dbraw/zinc/06/53/17/564065317.db2.gz BRKSBWHFTYGOPC-JOCHJYFZSA-N 0 1 346.474 3.849 50 30 EHEAMN COc1ccc(CN[C@H]2CCCc3c2cnn3C(C)(C)C)cc1C#N ZINC000076042773 564114746 /nfs/dbraw/zinc/11/47/46/564114746.db2.gz AFGWYVRYETVCTL-KRWDZBQOSA-N 0 1 338.455 3.686 50 30 EHEAMN Cc1ccc(/C=N/N=C2\SC(C)C(=O)N2Cc2ccccc2)cc1 ZINC000002276517 564125609 /nfs/dbraw/zinc/12/56/09/564125609.db2.gz PWTAJCXUVVXLSP-UOUGTWJRSA-N 0 1 337.448 3.849 50 30 EHEAMN N#Cc1c(=O)[nH]cc(C=NN=Cc2ccccc2)c1Nc1ccccc1 ZINC000253531389 564133007 /nfs/dbraw/zinc/13/30/07/564133007.db2.gz IQINVWKZELEQSD-UHFFFAOYSA-N 0 1 341.374 3.855 50 30 EHEAMN COc1ccc(-c2nc3ccc(C#N)cc3[nH]2)cc1OCCCC#N ZINC000095442576 564140512 /nfs/dbraw/zinc/14/05/12/564140512.db2.gz WUAUYWDONYMESN-UHFFFAOYSA-N 0 1 332.363 3.793 50 30 EHEAMN CC1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000051366807 214091065 /nfs/dbraw/zinc/09/10/65/214091065.db2.gz OPKYFZMKAXOIAK-RVYXMPNASA-N 0 1 341.411 3.680 50 30 EHEAMN N#Cc1c(Cl)nsc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000076685463 216804469 /nfs/dbraw/zinc/80/44/69/216804469.db2.gz XGGWTLLXHUJKLV-CYBMUJFWSA-N 0 1 332.860 3.745 50 30 EHEAMN Cc1ccc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)o1 ZINC000019773332 212064385 /nfs/dbraw/zinc/06/43/85/212064385.db2.gz GCAHYSLVENLHEM-PXLXIMEGSA-N 0 1 333.435 3.893 50 30 EHEAMN Cc1cc(N=NC(C)c2ccncc2)nc(NCc2ccccc2)n1 ZINC000004837435 210293285 /nfs/dbraw/zinc/29/32/85/210293285.db2.gz ABOVYHGJUDMLPQ-BUVRLJJBSA-N 0 1 332.411 3.628 50 30 EHEAMN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)C(C#N)c1ccccn1 ZINC000071892405 563471136 /nfs/dbraw/zinc/47/11/36/563471136.db2.gz YPNDFZDFDGJNNM-DZGCQCFKSA-N 0 1 333.395 3.596 50 30 EHEAMN C=CCO[C@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000071803629 563922418 /nfs/dbraw/zinc/92/24/18/563922418.db2.gz DMMWVRGGFQXXCC-GHMZBOCLSA-N 0 1 348.374 3.856 50 30 EHEAMN Cc1c(CN2CCSCC2)cccc1NC(=O)C1(C#N)CCCC1 ZINC000058377873 563944175 /nfs/dbraw/zinc/94/41/75/563944175.db2.gz URYVGHPABMZPQP-UHFFFAOYSA-N 0 1 343.496 3.566 50 30 EHEAMN COc1ccc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nn1 ZINC000408515963 563993043 /nfs/dbraw/zinc/99/30/43/563993043.db2.gz CBNDLASWCQGSLM-OAHLLOKOSA-N 0 1 344.418 3.875 50 30 EHEAMN C=C(C)[C@@H](CC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1)OCC ZINC000270110351 563997732 /nfs/dbraw/zinc/99/77/32/563997732.db2.gz SJZQTASHAVWTDE-ZWKOTPCHSA-N 0 1 341.455 3.906 50 30 EHEAMN CCOc1c(Cl)cc(CNCc2cccc(C#N)c2)cc1OC ZINC000048775986 564032140 /nfs/dbraw/zinc/03/21/40/564032140.db2.gz WGBOQOVEQCNVAH-UHFFFAOYSA-N 0 1 330.815 3.909 50 30 EHEAMN C=CCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000195571324 564123895 /nfs/dbraw/zinc/12/38/95/564123895.db2.gz QZFDAUGRYHUDJB-NVXWUHKLSA-N 0 1 335.879 3.550 50 30 EHEAMN C=CCN(C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000195571324 564123896 /nfs/dbraw/zinc/12/38/96/564123896.db2.gz QZFDAUGRYHUDJB-NVXWUHKLSA-N 0 1 335.879 3.550 50 30 EHEAMN N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H]2CCCC[C@H]21 ZINC000230113807 564154599 /nfs/dbraw/zinc/15/45/99/564154599.db2.gz MZOSAABZAPMSDI-GDBMZVCRSA-N 0 1 329.469 3.505 50 30 EHEAMN N#CCSc1ccccc1NC(=O)CN1CC[C@H]2CCCC[C@H]21 ZINC000230113807 564154600 /nfs/dbraw/zinc/15/46/00/564154600.db2.gz MZOSAABZAPMSDI-GDBMZVCRSA-N 0 1 329.469 3.505 50 30 EHEAMN Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc3ccccc32)c1C#N ZINC000008685963 564166344 /nfs/dbraw/zinc/16/63/44/564166344.db2.gz SNODLIOFGYJKHO-UHFFFAOYSA-N 0 1 349.415 3.851 50 30 EHEAMN C=CCOc1cccc(C(=O)NCCc2nc3ccc(C)c(C)c3[nH]2)c1 ZINC000820494501 1130874917 /nfs/dbraw/zinc/87/49/17/1130874917.db2.gz IVOCBUKKZRQXFL-UHFFFAOYSA-N 0 1 349.434 3.717 50 30 EHEAMN C=CCNc1ccccc1C(=O)N(C)Cc1nc2ccc(C)cc2[nH]1 ZINC000055326052 214308074 /nfs/dbraw/zinc/30/80/74/214308074.db2.gz MWLVLTOBKYGUGZ-UHFFFAOYSA-N 0 1 334.423 3.741 50 30 EHEAMN COc1ccc(Cl)cc1NC(=O)C([O-])=CC(=O)c1ccc(F)cc1 ZINC000101355155 219124480 /nfs/dbraw/zinc/12/44/80/219124480.db2.gz CMOXPGVRUJKVIK-DHDCSXOGSA-N 0 1 349.745 3.751 50 30 EHEAMN Cc1c(CN2CCC[C@H](C(=O)CCc3ccccc3)C2)cc(C#N)n1C ZINC000072411280 216203487 /nfs/dbraw/zinc/20/34/87/216203487.db2.gz GPJDQJZMVWJHTL-IBGZPJMESA-N 0 1 349.478 3.619 50 30 EHEAMN C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(Cl)cc1Cl ZINC000022608039 212310098 /nfs/dbraw/zinc/31/00/98/212310098.db2.gz WIPWTIYHQPDTJC-GLEZIHRCSA-N 0 1 349.221 3.853 50 30 EHEAMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000011708805 211240115 /nfs/dbraw/zinc/24/01/15/211240115.db2.gz WEZOCWYHMKSSFQ-HUUCEWRRSA-N 0 1 337.423 3.635 50 30 EHEAMN N#Cc1ccccc1CN1CCC(c2nccn2CC2CCC2)CC1 ZINC000091664234 218042785 /nfs/dbraw/zinc/04/27/85/218042785.db2.gz HNBGVZSOGHJFAO-UHFFFAOYSA-N 0 1 334.467 3.934 50 30 EHEAMN Cc1c(C(=O)Nc2cc(C#N)ccc2O)cnn1-c1cc(C)ccc1C ZINC000159880829 533821462 /nfs/dbraw/zinc/82/14/62/533821462.db2.gz NBGASCGMSXBIRO-UHFFFAOYSA-N 0 1 346.390 3.627 50 30 EHEAMN CCCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccco2)cc1 ZINC000005738402 563548124 /nfs/dbraw/zinc/54/81/24/563548124.db2.gz YUZZJVWFLDAKSH-GZTJUZNOSA-N 0 1 328.397 3.872 50 30 EHEAMN C=CCn1ncc(C[N@@H+](CC)CCc2nc3cc(C)ccc3[nH]2)c1C ZINC000067490470 563892488 /nfs/dbraw/zinc/89/24/88/563892488.db2.gz OCXOFYNOFUCACB-UHFFFAOYSA-N 0 1 337.471 3.627 50 30 EHEAMN C=CCn1ncc(C[N@H+](CC)CCc2nc3ccc(C)cc3[nH]2)c1C ZINC000067490470 563892490 /nfs/dbraw/zinc/89/24/90/563892490.db2.gz OCXOFYNOFUCACB-UHFFFAOYSA-N 0 1 337.471 3.627 50 30 EHEAMN N#CC(=NNc1cccc(C(F)(F)F)c1)C(=N)N1CCCCCC1 ZINC000000077631 563974539 /nfs/dbraw/zinc/97/45/39/563974539.db2.gz PSGNNTYCJFBNFH-DPMNZDDBSA-N 0 1 337.349 3.850 50 30 EHEAMN O=[N+]([O-])c1ccccc1NN=Cc1ccc(Br)s1 ZINC000252460309 563997657 /nfs/dbraw/zinc/99/76/57/563997657.db2.gz DIKPRHICCVRALH-UHFFFAOYSA-N 0 1 326.175 3.865 50 30 EHEAMN C[C@H]1CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C2CC2)O1 ZINC000329896922 564001321 /nfs/dbraw/zinc/00/13/21/564001321.db2.gz CRQAKKFOYCZMGO-YVEFUNNKSA-N 0 1 347.846 3.689 50 30 EHEAMN CC(C)CC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000103503469 564022530 /nfs/dbraw/zinc/02/25/30/564022530.db2.gz PTUGEVHZGHQJGR-LBPRGKRZSA-N 0 1 326.368 3.695 50 30 EHEAMN CCC1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2)C1=O ZINC000005791211 564052217 /nfs/dbraw/zinc/05/22/17/564052217.db2.gz JGCAYIXBIPNGOY-VGCKYNLESA-N 0 1 337.448 3.931 50 30 EHEAMN Cc1cccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000012686455 564062640 /nfs/dbraw/zinc/06/26/40/564062640.db2.gz FYAXKXDLPHEXRL-UHFFFAOYSA-N 0 1 348.450 3.607 50 30 EHEAMN COc1cccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)c1OC ZINC000015856900 564128993 /nfs/dbraw/zinc/12/89/93/564128993.db2.gz IBHRRZQEQACVTP-UHFFFAOYSA-N 0 1 340.408 3.507 50 30 EHEAMN C[C@@H](NCc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000057406487 564153980 /nfs/dbraw/zinc/15/39/80/564153980.db2.gz SBGSCGCBAIOONJ-GFCCVEGCSA-N 0 1 347.340 3.694 50 30 EHEAMN CSc1ccc(CN(Cc2cc(C#CCO)cs2)C2CC2)cc1 ZINC000828644471 1131443045 /nfs/dbraw/zinc/44/30/45/1131443045.db2.gz VEUAEENMTYIQLC-UHFFFAOYSA-N 0 1 343.517 3.978 50 30 EHEAMN C=C(C)COc1ccccc1C(=O)NCCc1nc2cccc(C)c2[nH]1 ZINC000055393305 214316408 /nfs/dbraw/zinc/31/64/08/214316408.db2.gz KMTGTNCJAMZTHV-UHFFFAOYSA-N 0 1 349.434 3.799 50 30 EHEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000102578448 219211044 /nfs/dbraw/zinc/21/10/44/219211044.db2.gz HKNUZWDKBQISCI-MRPLLJTBSA-N 0 1 348.185 3.703 50 30 EHEAMN Cc1ccccc1C[C@@]1(CO)CCCN(CC#Cc2ccccc2)C1 ZINC000015077022 258017380 /nfs/dbraw/zinc/01/73/80/258017380.db2.gz ZHBGICVSPXSFIT-QHCPKHFHSA-N 0 1 333.475 3.664 50 30 EHEAMN C=C(C)CN(CC)C(=O)CSc1nc(C=Cc2cccs2)n[nH]1 ZINC000014164736 518594463 /nfs/dbraw/zinc/59/44/63/518594463.db2.gz ZPDAGWLGMIEPMI-BQYQJAHWSA-N 0 1 348.497 3.553 50 30 EHEAMN COCC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000041538076 522790580 /nfs/dbraw/zinc/79/05/80/522790580.db2.gz DKMOVRPGVCFIHH-JTQLQIEISA-N 0 1 341.219 3.940 50 30 EHEAMN COc1ccc(C=Nn2c(=S)[nH]nc2C2CCCCC2)cc1OC ZINC000001244432 563381299 /nfs/dbraw/zinc/38/12/99/563381299.db2.gz MMGOAOOTTICGBZ-WOJGMQOQSA-N 0 1 346.456 3.888 50 30 EHEAMN FC(F)(F)c1n[nH]c(=S)n1N=Cc1c(Cl)cccc1Cl ZINC000002544714 563440266 /nfs/dbraw/zinc/44/02/66/563440266.db2.gz OZAOXBQZRWWBHC-AYSLTRBKSA-N 0 1 341.145 3.775 50 30 EHEAMN CCCCCCCOc1ccc(C=NNC2=NC(=O)CS2)cc1 ZINC000003073057 563471057 /nfs/dbraw/zinc/47/10/57/563471057.db2.gz VLVQPUIWKVUXKX-LDADJPATSA-N 0 1 333.457 3.589 50 30 EHEAMN CN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1F ZINC000016971714 563827498 /nfs/dbraw/zinc/82/74/98/563827498.db2.gz NAGKIQZBJSKCBT-OAHLLOKOSA-N 0 1 345.757 3.687 50 30 EHEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000017016512 563828925 /nfs/dbraw/zinc/82/89/25/563828925.db2.gz LKJJVSLQIRGJRO-MRXNPFEDSA-N 0 1 341.794 3.857 50 30 EHEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc(F)cc1)C(C#N)C#N ZINC000000500899 564018983 /nfs/dbraw/zinc/01/89/83/564018983.db2.gz RFPUPMVXVKPVJV-OALUTQOASA-N 0 1 346.365 3.612 50 30 EHEAMN N#Cc1ccccc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000006703823 564096209 /nfs/dbraw/zinc/09/62/09/564096209.db2.gz YBANAOYKCNVEJY-UHFFFAOYSA-N 0 1 342.811 3.819 50 30 EHEAMN Oc1ccccc1C=Nn1c(=S)[nH]nc1-c1cccc(Cl)c1 ZINC000001276318 564117908 /nfs/dbraw/zinc/11/79/08/564117908.db2.gz HJDJLVIVDLCDEF-RQZCQDPDSA-N 0 1 330.800 3.849 50 30 EHEAMN CN(C)[C@H](CNc1oc(-c2ccccc2F)nc1C#N)c1ccco1 ZINC000027988548 564149925 /nfs/dbraw/zinc/14/99/25/564149925.db2.gz XAGZNBYMNPTYBZ-OAHLLOKOSA-N 0 1 340.358 3.660 50 30 EHEAMN N#CC(C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)c1ccccn1 ZINC000069744336 564171968 /nfs/dbraw/zinc/17/19/68/564171968.db2.gz WPFTXERAYGFMQS-ILXRZTDVSA-N 0 1 341.208 3.824 50 30 EHEAMN CC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccncc1 ZINC000004172239 210138135 /nfs/dbraw/zinc/13/81/35/210138135.db2.gz BJFGNIHQISGXLE-HXUWFJFHSA-N 0 1 333.391 3.608 50 30 EHEAMN C=C(C)CN(CC)Cc1cc(Br)c(OC)cc1OC ZINC000023281391 212366679 /nfs/dbraw/zinc/36/66/79/212366679.db2.gz XPXNILFVLIANOF-UHFFFAOYSA-N 0 1 328.250 3.864 50 30 EHEAMN CCCC[N@@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccncc1)O2 ZINC000020503873 212141891 /nfs/dbraw/zinc/14/18/91/212141891.db2.gz IAINXXQOEUSHCZ-PDGQHHTCSA-N 0 1 338.407 3.635 50 30 EHEAMN CCC1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000004954878 210338890 /nfs/dbraw/zinc/33/88/90/210338890.db2.gz HVFHBRLASUMCCI-PPJHHJNZSA-N 0 1 345.399 3.663 50 30 EHEAMN C#CCN1CCC(C(=O)N(CC)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000058404999 258014930 /nfs/dbraw/zinc/01/49/30/258014930.db2.gz BCBWOIYUFDRRFJ-MRXNPFEDSA-N 0 1 338.451 3.688 50 30 EHEAMN O=[N+]([O-])c1cccc(C=Nn2c(=S)[nH]nc2C2CCCCC2)c1 ZINC000013110339 563688131 /nfs/dbraw/zinc/68/81/31/563688131.db2.gz RGIJSJMHKOHSMH-MHWRWJLKSA-N 0 1 331.401 3.779 50 30 EHEAMN C=CCN(CCC(=O)Nc1cc(C)on1)Cc1ccc(Cl)s1 ZINC000032751342 563724474 /nfs/dbraw/zinc/72/44/74/563724474.db2.gz NEDRCADGKAKGLJ-UHFFFAOYSA-N 0 1 339.848 3.715 50 30 EHEAMN COc1ccc2c(c1)c(C=NN=c1[nH]c3ccccc3[nH]1)c(C)n2C ZINC000005455820 564004366 /nfs/dbraw/zinc/00/43/66/564004366.db2.gz PHJNKOWGNPGLCE-RGVLZGJSSA-N 0 1 333.395 3.818 50 30 EHEAMN Cc1csc(C(C#N)C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)n1 ZINC000079014711 564091724 /nfs/dbraw/zinc/09/17/24/564091724.db2.gz IZMDMNTYKOFUEE-HNNXBMFYSA-N 0 1 335.388 3.501 50 30 EHEAMN N#CC(C(=O)C1=Cc2ccccc2OC1)c1ccc(C(F)(F)F)cn1 ZINC000065519321 564106845 /nfs/dbraw/zinc/10/68/45/564106845.db2.gz JZXKLPKMJHYVKI-AWEZNQCLSA-N 0 1 344.292 3.753 50 30 EHEAMN Cc1cc([C@H]2CCCN(Cc3cc(Cl)ccc3OCC#N)C2)[nH]n1 ZINC000076059693 564115125 /nfs/dbraw/zinc/11/51/25/564115125.db2.gz XDCAAMRJNYDLRS-AWEZNQCLSA-N 0 1 344.846 3.654 50 30 EHEAMN Cc1cc([C@H]2CCCN(Cc3cc(Cl)ccc3OCC#N)C2)n[nH]1 ZINC000076059693 564115124 /nfs/dbraw/zinc/11/51/24/564115124.db2.gz XDCAAMRJNYDLRS-AWEZNQCLSA-N 0 1 344.846 3.654 50 30 EHEAMN CC(=O)Nc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)ccc1F ZINC000076094867 564115731 /nfs/dbraw/zinc/11/57/31/564115731.db2.gz KZFMNPCNSOYVGG-LBPRGKRZSA-N 0 1 345.399 3.854 50 30 EHEAMN CCn1cc(CN2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)cc1C#N ZINC000077537847 564134304 /nfs/dbraw/zinc/13/43/04/564134304.db2.gz UFIIHNLSJDMOEE-SFHVURJKSA-N 0 1 337.402 3.732 50 30 EHEAMN CC(C)Oc1ncccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000225469876 564135048 /nfs/dbraw/zinc/13/50/48/564135048.db2.gz RIYQBAAGDNBZHR-CYBMUJFWSA-N 0 1 349.312 3.773 50 30 EHEAMN CC(C)Oc1ncccc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000225469876 564135049 /nfs/dbraw/zinc/13/50/49/564135049.db2.gz RIYQBAAGDNBZHR-CYBMUJFWSA-N 0 1 349.312 3.773 50 30 EHEAMN C=C(C)CN1CCN(c2ncnc3sc4c(c32)C[C@H](C)CC4)CC1 ZINC000004680050 210246926 /nfs/dbraw/zinc/24/69/26/210246926.db2.gz ZFOPPMLWGUFTEV-CQSZACIVSA-N 0 1 342.512 3.514 50 30 EHEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(F)cc1)C(C#N)C#N ZINC000100708544 219105344 /nfs/dbraw/zinc/10/53/44/219105344.db2.gz RFPUPMVXVKPVJV-RTBURBONSA-N 0 1 346.365 3.612 50 30 EHEAMN CC[C@H](OC)C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000068723248 215329141 /nfs/dbraw/zinc/32/91/41/215329141.db2.gz IRAYTZPOAQUIAX-KOLCDFICSA-N 0 1 342.342 3.916 50 30 EHEAMN COc1ccccc1NC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093817239 218253420 /nfs/dbraw/zinc/25/34/20/218253420.db2.gz DUTZTWUYDKMHBJ-UHFFFAOYSA-N 0 1 327.453 3.705 50 30 EHEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(F)cc2)cc1 ZINC000006556058 210653287 /nfs/dbraw/zinc/65/32/87/210653287.db2.gz VBDMZGFVKLADQK-VCHYOVAHSA-N 0 1 328.372 3.638 50 30 EHEAMN N#C[C@@H](C(=O)c1cccc(-c2nc[nH]n2)c1)c1nc2ccccc2s1 ZINC000330031808 258003193 /nfs/dbraw/zinc/00/31/93/258003193.db2.gz DOICKFPNCRVGLF-ZDUSSCGKSA-N 0 1 345.387 3.571 50 30 EHEAMN N#CC(C(=O)c1cccc(-c2nc[nH]n2)c1)c1nc2ccccc2s1 ZINC000330031808 258003195 /nfs/dbraw/zinc/00/31/95/258003195.db2.gz DOICKFPNCRVGLF-ZDUSSCGKSA-N 0 1 345.387 3.571 50 30 EHEAMN C=CCn1cc(CNCc2cccc(OC(F)(F)F)c2)c(C)n1 ZINC000055414658 519280073 /nfs/dbraw/zinc/28/00/73/519280073.db2.gz MLLPMUQGOYQOOD-UHFFFAOYSA-N 0 1 325.334 3.566 50 30 EHEAMN CCCCCCCCNC(O)=NS(=O)(=O)c1ccc(C)cc1 ZINC000002768344 563450264 /nfs/dbraw/zinc/45/02/64/563450264.db2.gz FELQIYPBTCCPET-UHFFFAOYSA-N 0 1 326.462 3.548 50 30 EHEAMN COc1ccc(OC)c(C=Nn2c(=S)[nH]nc2C2CCCCC2)c1 ZINC000001258859 563381996 /nfs/dbraw/zinc/38/19/96/563381996.db2.gz OEAJWTALMFWMQG-WOJGMQOQSA-N 0 1 346.456 3.888 50 30 EHEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(F)cc2)c1 ZINC000005911403 563553954 /nfs/dbraw/zinc/55/39/54/563553954.db2.gz YHPIZBUPUNUDOD-VCHYOVAHSA-N 0 1 328.372 3.638 50 30 EHEAMN C=CCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@H]1c1ccc(C)cc1 ZINC000016741401 563822178 /nfs/dbraw/zinc/82/21/78/563822178.db2.gz ZSBYJBSFQZSAFF-MRXNPFEDSA-N 0 1 339.416 3.821 50 30 EHEAMN CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)sn2)cc1 ZINC000408514940 563992922 /nfs/dbraw/zinc/99/29/22/563992922.db2.gz FRAGEAQYUCZBSK-ABAIWWIYSA-N 0 1 341.436 3.926 50 30 EHEAMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)sn2)cc1 ZINC000408514940 563992923 /nfs/dbraw/zinc/99/29/23/563992923.db2.gz FRAGEAQYUCZBSK-ABAIWWIYSA-N 0 1 341.436 3.926 50 30 EHEAMN COc1ccc(-c2c(C#N)c(=O)[nH]c3c2CCc2ccccc2-3)cc1 ZINC000000159936 564132929 /nfs/dbraw/zinc/13/29/29/564132929.db2.gz AFCLWNFJCFWXMO-UHFFFAOYSA-N 0 1 328.371 3.688 50 30 EHEAMN Cc1csc(C(C#N)C(=O)c2cnn(CC(C)C)c2C2CC2)n1 ZINC000095454196 564140635 /nfs/dbraw/zinc/14/06/35/564140635.db2.gz IJBSVSSRRHUBBP-CYBMUJFWSA-N 0 1 328.441 3.672 50 30 EHEAMN CC(=NNC1=NCCN1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000004693115 210248847 /nfs/dbraw/zinc/24/88/47/210248847.db2.gz FJHSNOAMKSXMJR-KGENOOAVSA-N 0 1 326.831 3.525 50 30 EHEAMN N#Cc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000023752184 212395142 /nfs/dbraw/zinc/39/51/42/212395142.db2.gz XWZWLFUQKVDOIG-UHFFFAOYSA-N 0 1 345.368 3.899 50 30 EHEAMN N#Cc1ccccc1CN1CCC[C@@H](c2nccn2CC2CCC2)C1 ZINC000095385205 218316591 /nfs/dbraw/zinc/31/65/91/218316591.db2.gz LQGIAQIHJDVJQA-HXUWFJFHSA-N 0 1 334.467 3.934 50 30 EHEAMN CC(C)(C)c1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)cc1 ZINC000005685931 563545566 /nfs/dbraw/zinc/54/55/66/563545566.db2.gz IRCRUCABXWQTJQ-QGMBQPNBSA-N 0 1 328.363 3.765 50 30 EHEAMN N#C[C@H](C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000001613700 563396446 /nfs/dbraw/zinc/39/64/46/563396446.db2.gz CSHHXHKIKBTMDA-AWEZNQCLSA-N 0 1 332.281 3.520 50 30 EHEAMN N#CC(C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000001613700 563396451 /nfs/dbraw/zinc/39/64/51/563396451.db2.gz CSHHXHKIKBTMDA-AWEZNQCLSA-N 0 1 332.281 3.520 50 30 EHEAMN CN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1F ZINC000016971711 563827579 /nfs/dbraw/zinc/82/75/79/563827579.db2.gz NAGKIQZBJSKCBT-HNNXBMFYSA-N 0 1 345.757 3.687 50 30 EHEAMN Cc1cn(-c2ccccc2)nc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000187468175 563973415 /nfs/dbraw/zinc/97/34/15/563973415.db2.gz PNAZXJMOVMXRDS-OAHLLOKOSA-N 0 1 341.374 3.547 50 30 EHEAMN C=C(C)[C@H](CC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1)OCC ZINC000270110348 563997737 /nfs/dbraw/zinc/99/77/37/563997737.db2.gz SJZQTASHAVWTDE-MSOLQXFVSA-N 0 1 341.455 3.906 50 30 EHEAMN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccco1 ZINC000103503459 564022528 /nfs/dbraw/zinc/02/25/28/564022528.db2.gz XKRKTVXDSIEKQV-LLVKDONJSA-N 0 1 336.319 3.555 50 30 EHEAMN N#Cc1c2c(sc1NC(=O)CN1CCC[C@H]3CCCC[C@@H]31)CCC2 ZINC000007587381 564117981 /nfs/dbraw/zinc/11/79/81/564117981.db2.gz BGQSRJFKDINVFF-CJNGLKHVSA-N 0 1 343.496 3.702 50 30 EHEAMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cccc2nsnc21 ZINC000252610719 564121452 /nfs/dbraw/zinc/12/14/52/564121452.db2.gz ICZUFDBDAXWXAM-UHFFFAOYSA-N 0 1 349.419 3.950 50 30 EHEAMN N#Cc1cccc(N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)n1 ZINC000067856861 564134917 /nfs/dbraw/zinc/13/49/17/564134917.db2.gz JENHCPITUVTGCR-UHFFFAOYSA-N 0 1 343.434 3.651 50 30 EHEAMN C=CCOc1ccc(C(=O)NC[C@@H](c2ccco2)N(CC)CC)cc1 ZINC000057995088 564157032 /nfs/dbraw/zinc/15/70/32/564157032.db2.gz YYTDUZMZEGCKTI-SFHVURJKSA-N 0 1 342.439 3.657 50 30 EHEAMN Cc1cnn(CCNC([O-])=[NH+]c2ncc(C3CCCCC3)s2)c1 ZINC000329341881 1038714081 /nfs/dbraw/zinc/71/40/81/1038714081.db2.gz SJLJPIALKFWUNJ-UHFFFAOYSA-N 0 1 333.461 3.722 50 30 EHEAMN CCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccnc1 ZINC000005101052 1042829518 /nfs/dbraw/zinc/82/95/18/1042829518.db2.gz LXTPMUVWUOYBKR-NRFANRHFSA-N 0 1 347.418 3.999 50 30 EHEAMN Cc1cnc(C2CCC2)n1[C@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000575547463 1131572223 /nfs/dbraw/zinc/57/22/23/1131572223.db2.gz CVUXVCMJIUXTSA-IBGZPJMESA-N 0 1 348.450 3.808 50 30 EHEAMN COc1ccccc1-c1n[nH]c(NC(=O)Cc2ccc(Cl)cc2)n1 ZINC000052778694 214144262 /nfs/dbraw/zinc/14/42/62/214144262.db2.gz VLJQCVFVZXNEQX-UHFFFAOYSA-N 0 1 342.786 3.964 50 30 EHEAMN Cc1cc(-c2nc3ccc(C#N)cc3[nH]2)c(C)n1Cc1cccnc1 ZINC000055284938 214302271 /nfs/dbraw/zinc/30/22/71/214302271.db2.gz AMHAQRQGUWYAMY-UHFFFAOYSA-N 0 1 327.391 3.963 50 30 EHEAMN N#Cc1cccc(CNCc2ccccc2OCc2cccnc2)c1 ZINC000066971969 215100136 /nfs/dbraw/zinc/10/01/36/215100136.db2.gz QHUNFEIDRXMUMX-UHFFFAOYSA-N 0 1 329.403 3.822 50 30 EHEAMN C=C[C@@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2[C@@H](OC)c1ccnc2ccc(OC)cc21 ZINC000040162796 213278732 /nfs/dbraw/zinc/27/87/32/213278732.db2.gz QSOFUNXFUMLXCR-LYDRAKHJSA-N 0 1 338.451 3.827 50 30 biogenic EHEAMN CCC1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2)C1=O ZINC000036093472 213063024 /nfs/dbraw/zinc/06/30/24/213063024.db2.gz JGCAYIXBIPNGOY-OJYKYLQSSA-N 0 1 337.448 3.931 50 30 EHEAMN Oc1ccccc1/C=N/N1CCN(Cc2cccc3ccccc32)CC1 ZINC000019773188 212063937 /nfs/dbraw/zinc/06/39/37/212063937.db2.gz VWZUBIDPLYIBRU-XQNSMLJCSA-N 0 1 345.446 3.697 50 30 EHEAMN C=CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000091651267 218039589 /nfs/dbraw/zinc/03/95/89/218039589.db2.gz RVQAEJJNUGYAJM-IBGZPJMESA-N 0 1 326.396 3.585 50 30 EHEAMN C=CCN[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000095410501 218347197 /nfs/dbraw/zinc/34/71/97/218347197.db2.gz YKBMKRXAPOXBGE-KRWDZBQOSA-N 0 1 335.856 3.609 50 30 EHEAMN CCC1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2)C1=O ZINC000004888457 210312444 /nfs/dbraw/zinc/31/24/44/210312444.db2.gz JGCAYIXBIPNGOY-XVEDWSDESA-N 0 1 337.448 3.931 50 30 EHEAMN CC(=NN=c1cc(C)[nH]c(NCc2ccccc2)n1)c1ccc(O)cc1 ZINC000004812599 210282760 /nfs/dbraw/zinc/28/27/60/210282760.db2.gz PRWCDJGPICWVES-BUVRLJJBSA-N 0 1 347.422 3.939 50 30 EHEAMN Cc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005968888 563556257 /nfs/dbraw/zinc/55/62/57/563556257.db2.gz QAAZNAUPWJAYRO-LICLKQGHSA-N 0 1 339.380 3.707 50 30 EHEAMN C[C@H](NCCC(=O)Nc1sccc1C#N)c1ccc(F)cc1F ZINC000032665024 563678254 /nfs/dbraw/zinc/67/82/54/563678254.db2.gz IZZGXYUDPSLEIG-JTQLQIEISA-N 0 1 335.379 3.577 50 30 EHEAMN C/C(=N\N=C1/NC(=O)C(Cc2cccc(C)c2)S1)c1ccccc1 ZINC000016134321 563804308 /nfs/dbraw/zinc/80/43/08/563804308.db2.gz WQPWAFWEONYKHV-AQRZYSDFSA-N 0 1 337.448 3.549 50 30 EHEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(F)cc1)C(C#N)C#N ZINC000000500901 564018954 /nfs/dbraw/zinc/01/89/54/564018954.db2.gz RFPUPMVXVKPVJV-RBUKOAKNSA-N 0 1 346.365 3.612 50 30 EHEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C#N)CCC2 ZINC000108990317 564028577 /nfs/dbraw/zinc/02/85/77/564028577.db2.gz PBOBPSLZANKDGF-LFIBNONCSA-N 0 1 348.431 3.827 50 30 EHEAMN N#Cc1c2c(sc1NC(=O)CN1CCC[C@H]3CCCC[C@H]31)CCC2 ZINC000007587377 564117966 /nfs/dbraw/zinc/11/79/66/564117966.db2.gz BGQSRJFKDINVFF-CZUORRHYSA-N 0 1 343.496 3.702 50 30 EHEAMN O=C(CCn1ccc2c1cccc2Cl)Nc1nc(C2CC2)n[nH]1 ZINC000095478356 564141472 /nfs/dbraw/zinc/14/14/72/564141472.db2.gz SWRHKKUERTULDG-UHFFFAOYSA-N 0 1 329.791 3.969 50 30 EHEAMN O=C(CCn1ccc2c1cccc2Cl)Nc1n[nH]c(C2CC2)n1 ZINC000095478356 564141473 /nfs/dbraw/zinc/14/14/73/564141473.db2.gz SWRHKKUERTULDG-UHFFFAOYSA-N 0 1 329.791 3.969 50 30 EHEAMN COc1cccc2c1ccn2CCC(=O)Nc1nc(C(C)C)n[nH]1 ZINC000095478183 564141502 /nfs/dbraw/zinc/14/15/02/564141502.db2.gz KPHDAOMYVLEIKP-UHFFFAOYSA-N 0 1 327.388 3.570 50 30 EHEAMN COc1cccc2c1ccn2CCC(=O)Nc1n[nH]c(C(C)C)n1 ZINC000095478183 564141503 /nfs/dbraw/zinc/14/15/03/564141503.db2.gz KPHDAOMYVLEIKP-UHFFFAOYSA-N 0 1 327.388 3.570 50 30 EHEAMN Cc1cnc(C2CCC2)n1[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000575547464 1131572604 /nfs/dbraw/zinc/57/26/04/1131572604.db2.gz CVUXVCMJIUXTSA-LJQANCHMSA-N 0 1 348.450 3.808 50 30 EHEAMN CCOc1ccc(C(C)=NN=c2[nH]c3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000004113174 210123977 /nfs/dbraw/zinc/12/39/77/210123977.db2.gz DBHKNXKXIQTJFK-RGVLZGJSSA-N 0 1 339.355 3.706 50 30 EHEAMN C#CCCN1CCN(c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC000065945069 215001109 /nfs/dbraw/zinc/00/11/09/215001109.db2.gz GPUCHZMQDCYJEQ-UHFFFAOYSA-N 0 1 348.475 3.504 50 30 EHEAMN Oc1ccc2ccccc2c1C=Nn1c(=S)[nH]nc1-c1ccco1 ZINC000009329907 211069770 /nfs/dbraw/zinc/06/97/70/211069770.db2.gz PQGQDBZBFJSHFW-VCHYOVAHSA-N 0 1 336.376 3.942 50 30 EHEAMN CN(C)CCO/N=C(\C=C\c1ccc(O)cc1)c1ccccc1F ZINC000043763638 521791551 /nfs/dbraw/zinc/79/15/51/521791551.db2.gz VAIOZOCLKVMIMN-FOUXOUMPSA-N 0 1 328.387 3.527 50 30 EHEAMN COc1cc(CN=Nc2ccc3ccccc3n2)cc(OC)c1OC ZINC000005329683 564002686 /nfs/dbraw/zinc/00/26/86/564002686.db2.gz FLBOQJHWTLDXHO-UDWIEESQSA-N 0 1 337.379 3.707 50 30 EHEAMN CSc1ccc(C(=O)C(C#N)C(=O)Nc2cc(C)ccc2C)o1 ZINC000101093343 564018837 /nfs/dbraw/zinc/01/88/37/564018837.db2.gz LSQAXXZHKNTTAV-LBPRGKRZSA-N 0 1 328.393 3.580 50 30 EHEAMN N#C[C@@H](C(=O)c1ccccc1-n1cccn1)c1nc2ccccc2s1 ZINC000048823732 564032303 /nfs/dbraw/zinc/03/23/03/564032303.db2.gz JOBCQHRYIQCQDW-AWEZNQCLSA-N 0 1 344.399 3.972 50 30 EHEAMN N#CC(C(=O)c1ccccc1-n1cccn1)c1nc2ccccc2s1 ZINC000048823732 564032304 /nfs/dbraw/zinc/03/23/04/564032304.db2.gz JOBCQHRYIQCQDW-AWEZNQCLSA-N 0 1 344.399 3.972 50 30 EHEAMN N#Cc1ccc(N2CC[C@@H](N3CCC[C@@H]3c3cccs3)C2=O)cc1 ZINC000028746844 564152370 /nfs/dbraw/zinc/15/23/70/564152370.db2.gz SHGVJRQRDAJCIR-IAGOWNOFSA-N 0 1 337.448 3.562 50 30 EHEAMN Cc1cccc(NC(=O)C(C#N)C(=O)c2ccc(F)cc2Cl)c1 ZINC000103504046 219308386 /nfs/dbraw/zinc/30/83/86/219308386.db2.gz OMXSWNJENWVGOQ-AWEZNQCLSA-N 0 1 330.746 3.749 50 30 EHEAMN CN(C)[C@@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccsc1 ZINC000040103377 213264689 /nfs/dbraw/zinc/26/46/89/213264689.db2.gz GOZBRGNVBPJMKT-HNNXBMFYSA-N 0 1 348.859 3.698 50 30 EHEAMN CN(C)[C@@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccsc1 ZINC000072238604 216077589 /nfs/dbraw/zinc/07/75/89/216077589.db2.gz GPOIGUBVQPMCKK-INIZCTEOSA-N 0 1 338.436 3.990 50 30 EHEAMN Cc1nn(Cc2ccccc2)c(C)c1CNCc1cccc(C#N)c1 ZINC000011095952 211204440 /nfs/dbraw/zinc/20/44/40/211204440.db2.gz PPJVEDFBRKXRLU-UHFFFAOYSA-N 0 1 330.435 3.710 50 30 EHEAMN C/C(=N/N=C1/NC(=O)C(Cc2ccccc2)S1)c1ccc(C)cc1 ZINC000004866461 210307270 /nfs/dbraw/zinc/30/72/70/210307270.db2.gz ZRIAOIYEYUFHNE-XESZTULISA-N 0 1 337.448 3.549 50 30 EHEAMN Cc1ccccc1OCC(=O)ONC(=N)Cc1cccc2ccccc21 ZINC000004689642 525282342 /nfs/dbraw/zinc/28/23/42/525282342.db2.gz PJSLNGGXQAYGBV-UHFFFAOYSA-N 0 1 348.402 3.585 50 30 EHEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2F)cc1 ZINC000001259073 563382045 /nfs/dbraw/zinc/38/20/45/563382045.db2.gz QNOVWJDSWSDRQP-VCHYOVAHSA-N 0 1 328.372 3.638 50 30 EHEAMN CCc1n[nH]c(=S)n1N=C(C)c1ccc(Br)cc1 ZINC000005686818 563545908 /nfs/dbraw/zinc/54/59/08/563545908.db2.gz LEZSNKMDEYIHCW-LZYBPNLTSA-N 0 1 325.235 3.538 50 30 EHEAMN COc1cccc(C=Nn2c(=S)[nH]nc2-c2ccc(C)cc2)c1O ZINC000006556823 563571775 /nfs/dbraw/zinc/57/17/75/563571775.db2.gz QWIBZTLNGHBCHO-VCHYOVAHSA-N 0 1 340.408 3.513 50 30 EHEAMN C#Cc1cccc(NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000072291988 563909337 /nfs/dbraw/zinc/90/93/37/563909337.db2.gz DCJZHOIVFNELDT-MAUKXSAKSA-N 0 1 339.464 3.544 50 30 EHEAMN CN(C)[C@@H](CNc1oc(-c2cccs2)nc1C#N)c1ccco1 ZINC000027562377 564132169 /nfs/dbraw/zinc/13/21/69/564132169.db2.gz UAVNEEYMCJCREM-LBPRGKRZSA-N 0 1 328.397 3.583 50 30 EHEAMN N#CC(C(=O)[C@@H]1C[C@H]1c1ccccc1Br)c1ccccn1 ZINC000071850171 564175989 /nfs/dbraw/zinc/17/59/89/564175989.db2.gz QLVDARAVZQQIMR-MJBXVCDLSA-N 0 1 341.208 3.824 50 30 EHEAMN CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCC1 ZINC000053814252 214200401 /nfs/dbraw/zinc/20/04/01/214200401.db2.gz FGGXUOZEYXGQID-UHFFFAOYSA-N 0 1 331.485 3.702 50 30 EHEAMN C=CCOc1c(Cl)cc(CNCc2ccnn2C)cc1Cl ZINC000055227562 214292605 /nfs/dbraw/zinc/29/26/05/214292605.db2.gz SMBIDANHILOEDV-UHFFFAOYSA-N 0 1 326.227 3.582 50 30 EHEAMN COc1ccc([C@@H]2C/C(=N/O)[C@@H](C)[C@@H](c3ccc(OC)cc3)N2)cc1 ZINC000100398677 219098250 /nfs/dbraw/zinc/09/82/50/219098250.db2.gz OYGRPLURZDNYIE-MPRDIEFASA-N 0 1 340.423 3.946 50 30 EHEAMN COc1ccc([C@@H]2C(C(C)=O)=C(C)N=C3Nc4ccccc4N32)cc1O ZINC000012323943 211347076 /nfs/dbraw/zinc/34/70/76/211347076.db2.gz DYYIIOXOLOQDOD-LJQANCHMSA-N 0 1 349.390 3.607 50 30 EHEAMN CC(=NN=c1[nH]c2ccccc2n2cnnc12)c1ccc(Cl)cc1 ZINC000004793172 210278575 /nfs/dbraw/zinc/27/85/75/210278575.db2.gz GUMPGLYAVPQKKH-SRZZPIQSSA-N 0 1 336.786 3.767 50 30 EHEAMN COc1ccc(CN=Nc2cc(C)nc(-c3ccccc3O)n2)cc1 ZINC000016134083 523444705 /nfs/dbraw/zinc/44/47/05/523444705.db2.gz HIKHHEOBRLIKKE-UDWIEESQSA-N 0 1 334.379 3.612 50 30 EHEAMN O=[N+]([O-])c1ccccc1C=Nn1c(=S)[nH]nc1C1CCCCC1 ZINC000001302161 563383182 /nfs/dbraw/zinc/38/31/82/563383182.db2.gz GUEJNENARRDKCZ-MHWRWJLKSA-N 0 1 331.401 3.779 50 30 EHEAMN N#C[C@@H](C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000006575532 563573215 /nfs/dbraw/zinc/57/32/15/563573215.db2.gz CSHHXHKIKBTMDA-CQSZACIVSA-N 0 1 332.281 3.520 50 30 EHEAMN N#CC(C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000006575532 563573217 /nfs/dbraw/zinc/57/32/17/563573217.db2.gz CSHHXHKIKBTMDA-CQSZACIVSA-N 0 1 332.281 3.520 50 30 EHEAMN CC[C@H]1CN(Cc2ccc(C#N)cc2)CCC(=O)N1Cc1ccccc1 ZINC000071754696 563982970 /nfs/dbraw/zinc/98/29/70/563982970.db2.gz KSIRJWWMLUZTCQ-NRFANRHFSA-N 0 1 347.462 3.571 50 30 EHEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000005818989 564056107 /nfs/dbraw/zinc/05/61/07/564056107.db2.gz FQJFCHMOYCLXOF-CQSZACIVSA-N 0 1 348.185 3.859 50 30 EHEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(O)cc2)cc1 ZINC000001270833 564062826 /nfs/dbraw/zinc/06/28/26/564062826.db2.gz XCNBKRVPQVUYEN-WOJGMQOQSA-N 0 1 340.408 3.594 50 30 EHEAMN Cc1ccc(CNCc2cc(C#N)cs2)c(OC[C@@H]2CCOC2)c1 ZINC000088753284 564079871 /nfs/dbraw/zinc/07/98/71/564079871.db2.gz VZMDLRGXLGZVFC-OAHLLOKOSA-N 0 1 342.464 3.633 50 30 EHEAMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Nc1cc(F)c(C#N)cc1F ZINC000095502741 564141606 /nfs/dbraw/zinc/14/16/06/564141606.db2.gz DTFIJIDDRMSLQG-UHFFFAOYSA-N 0 1 347.369 3.521 50 30 EHEAMN N#CC(C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccccn1 ZINC000230101402 564154508 /nfs/dbraw/zinc/15/45/08/564154508.db2.gz WPFTXERAYGFMQS-ZNMIVQPWSA-N 0 1 341.208 3.824 50 30 EHEAMN Cc1nn(CC(=O)C(C#N)c2nc3ccccc3s2)c(C)c1Cl ZINC000069568025 564170542 /nfs/dbraw/zinc/17/05/42/564170542.db2.gz RPSHCIDUVBMLJE-LLVKDONJSA-N 0 1 344.827 3.640 50 30 EHEAMN Cc1cnc(C2CCC2)n1C1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000575548172 1131572677 /nfs/dbraw/zinc/57/26/77/1131572677.db2.gz AGSVAYJNDOJZIV-UHFFFAOYSA-N 0 1 348.450 3.808 50 30 EHEAMN N#CC(C(=O)c1ccc(Cn2cccn2)cc1)c1nc2ccccc2o1 ZINC000041541824 526507783 /nfs/dbraw/zinc/50/77/83/526507783.db2.gz OVTMMWWCNPANBM-MRXNPFEDSA-N 0 1 342.358 3.563 50 30 EHEAMN N#C[C@H](C(=O)c1ccc(Cn2cccn2)cc1)c1nc2ccccc2o1 ZINC000041541824 526507785 /nfs/dbraw/zinc/50/77/85/526507785.db2.gz OVTMMWWCNPANBM-MRXNPFEDSA-N 0 1 342.358 3.563 50 30 EHEAMN N#Cc1c(=O)[nH]cc(/C=N/N=C2CCCCC2)c1Nc1ccccc1 ZINC000000431539 563311302 /nfs/dbraw/zinc/31/13/02/563311302.db2.gz SOLSUTGPUUQBBU-LPYMAVHISA-N 0 1 333.395 3.729 50 30 EHEAMN S=c1[nH]nc(-c2ccco2)n1N=Cc1ccccc1Br ZINC000001255576 563381721 /nfs/dbraw/zinc/38/17/21/563381721.db2.gz JLYJUYRSZRYBID-OVCLIPMQSA-N 0 1 349.213 3.845 50 30 EHEAMN N#Cc1c(Cl)cccc1NCC1(N2CCOCC2)CCCCC1 ZINC000025637927 564060175 /nfs/dbraw/zinc/06/01/75/564060175.db2.gz NYFODYLXEMKFBH-UHFFFAOYSA-N 0 1 333.863 3.659 50 30 EHEAMN COc1ccccc1/C=C/C=C/C(=O)c1cc2ccc(O)cc2oc1=O ZINC000390834943 564138984 /nfs/dbraw/zinc/13/89/84/564138984.db2.gz UPPZXABGGYDQTN-JHMJBTLWSA-N 0 1 348.354 3.960 50 30 EHEAMN CC(=NN1CCN(Cc2cccc3ccccc32)CC1)c1ccco1 ZINC000004184121 564161065 /nfs/dbraw/zinc/16/10/65/564161065.db2.gz KQTCGRICYMNKIZ-UHFFFAOYSA-N 0 1 333.435 3.975 50 30 EHEAMN CCOc1ccccc1/C=C/C(=O)c1ccc(NC(C)=O)cc1O ZINC000032502220 564161553 /nfs/dbraw/zinc/16/15/53/564161553.db2.gz CAWQLHAZEROCEL-DHZHZOJOSA-N 0 1 325.364 3.645 50 30 EHEAMN Cc1nn(CC(=O)C(C#N)c2nc3ccccc3s2)c(C)c1Cl ZINC000069568026 564170522 /nfs/dbraw/zinc/17/05/22/564170522.db2.gz RPSHCIDUVBMLJE-NSHDSACASA-N 0 1 344.827 3.640 50 30 EHEAMN N#CC(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nc2ccccc2o1 ZINC000054736830 214252786 /nfs/dbraw/zinc/25/27/86/214252786.db2.gz LTWTYPZJNKQNKB-LLVKDONJSA-N 0 1 346.302 3.707 50 30 EHEAMN N#C[C@H](C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nc2ccccc2o1 ZINC000054736830 214252788 /nfs/dbraw/zinc/25/27/88/214252788.db2.gz LTWTYPZJNKQNKB-LLVKDONJSA-N 0 1 346.302 3.707 50 30 EHEAMN N#CC(C(=O)c1ccccc1-n1cccn1)c1nc2ccccc2o1 ZINC000054735562 214253048 /nfs/dbraw/zinc/25/30/48/214253048.db2.gz PURMXSSIEQJZOB-CQSZACIVSA-N 0 1 328.331 3.504 50 30 EHEAMN CCCCCCCOc1ccc(/C=N/N=C2\NC(=O)C(C)S2)cc1 ZINC000097967899 219065997 /nfs/dbraw/zinc/06/59/97/219065997.db2.gz ZRHYXKCBTZHXRL-ITRAFESCSA-N 0 1 347.484 3.977 50 30 EHEAMN Cc1cc(N=NC(C)c2ccccc2O)nc(-c2ccccc2O)n1 ZINC000100671062 219103985 /nfs/dbraw/zinc/10/39/85/219103985.db2.gz XJVPYGXUZHQAQH-LPYMAVHISA-N 0 1 334.379 3.699 50 30 EHEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000102599556 219213505 /nfs/dbraw/zinc/21/35/05/219213505.db2.gz GQJDMZSQIKCNMM-GHNGSUTGSA-N 0 1 335.403 3.908 50 30 EHEAMN CCOc1ccc(C(C)=NN=c2[nH]n3cnnc3c3ccccc32)cc1 ZINC000004878506 210310669 /nfs/dbraw/zinc/31/06/69/210310669.db2.gz QTRDIBOKXFPMPU-BKUYFWCQSA-N 0 1 346.394 3.512 50 30 EHEAMN CC1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000004902077 210317128 /nfs/dbraw/zinc/31/71/28/210317128.db2.gz OPKYFZMKAXOIAK-QMNVRMOGSA-N 0 1 341.411 3.680 50 30 EHEAMN C=CCn1cc(CN(Cc2cccc(C)c2)C[C@@H]2CCCO2)c(C)n1 ZINC000055100140 519277645 /nfs/dbraw/zinc/27/76/45/519277645.db2.gz LOVBLHMHRGJHHX-NRFANRHFSA-N 0 1 339.483 3.867 50 30 EHEAMN CN(C)CCO/N=C(/C=C/c1ccc(O)cc1)c1ccccc1F ZINC000001886642 521792987 /nfs/dbraw/zinc/79/29/87/521792987.db2.gz VAIOZOCLKVMIMN-PRJWTAEASA-N 0 1 328.387 3.527 50 30 investigational EHEAMN COc1ccccc1CN=Nc1cc(C)nc(NCc2ccccc2)n1 ZINC000004811308 524325656 /nfs/dbraw/zinc/32/56/56/524325656.db2.gz BCFFXLOBBYKZJT-HYARGMPZSA-N 0 1 347.422 3.852 50 30 EHEAMN N#CC(C(=O)c1ccc(Cn2cccn2)cc1)c1nc2ccccc2o1 ZINC000041541821 526493124 /nfs/dbraw/zinc/49/31/24/526493124.db2.gz OVTMMWWCNPANBM-INIZCTEOSA-N 0 1 342.358 3.563 50 30 EHEAMN N#C[C@@H](C(=O)c1ccc(Cn2cccn2)cc1)c1nc2ccccc2o1 ZINC000041541821 526493127 /nfs/dbraw/zinc/49/31/27/526493127.db2.gz OVTMMWWCNPANBM-INIZCTEOSA-N 0 1 342.358 3.563 50 30 EHEAMN N=C(Cc1ccc(Cl)c(Cl)c1)NOC(=O)c1ccccc1F ZINC000004954664 526815401 /nfs/dbraw/zinc/81/54/01/526815401.db2.gz FEGHMNMWULTEES-UHFFFAOYSA-N 0 1 341.169 3.804 50 30 EHEAMN COc1ccc([C@@H]2C/C(=N\O)[C@H](C)[C@@H](c3ccc(OC)cc3)N2)cc1 ZINC000013468142 563698834 /nfs/dbraw/zinc/69/88/34/563698834.db2.gz OYGRPLURZDNYIE-UFBGRXKBSA-N 0 1 340.423 3.946 50 30 EHEAMN CSc1ccc(C(=O)C(C#N)C(=O)Nc2cc(C)ccc2C)o1 ZINC000101093347 564018821 /nfs/dbraw/zinc/01/88/21/564018821.db2.gz LSQAXXZHKNTTAV-GFCCVEGCSA-N 0 1 328.393 3.580 50 30 EHEAMN CC1SC(=NN=Cc2c3ccccc3cc3ccccc32)NC1=O ZINC000252633655 564124474 /nfs/dbraw/zinc/12/44/74/564124474.db2.gz WFFWYBSBNIEHHX-GFCCVEGCSA-N 0 1 333.416 3.934 50 30 EHEAMN Cc1ccc2nc(S[C@H](C)C(=O)Nc3ccccc3C#N)[nH]c2c1 ZINC000006908933 564133750 /nfs/dbraw/zinc/13/37/50/564133750.db2.gz HTFRVEUSWQHMPD-GFCCVEGCSA-N 0 1 336.420 3.862 50 30 EHEAMN C[C@@H](c1ccc(-c2cc(C#N)n(C(F)F)c2)cc1)N1CCOCC1 ZINC000426632814 564135094 /nfs/dbraw/zinc/13/50/94/564135094.db2.gz AOTIDWXXUGJVBZ-ZDUSSCGKSA-N 0 1 331.366 3.815 50 30 EHEAMN Cc1cc(C)nc(C(C#N)C(=O)c2ccc3ccc(Cl)cc3n2)n1 ZINC000079052965 564137739 /nfs/dbraw/zinc/13/77/39/564137739.db2.gz WTMIDZNVBPCVGY-CQSZACIVSA-N 0 1 336.782 3.785 50 30 EHEAMN N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NCCN1CCCCC1 ZINC000096346292 564146859 /nfs/dbraw/zinc/14/68/59/564146859.db2.gz AMXZVVRBMMDOHF-IAGOWNOFSA-N 0 1 336.439 3.715 50 30 EHEAMN CCOc1ccc(-c2cc(C(=O)Nc3cccc(C#N)c3)[nH]n2)cc1 ZINC000051315447 214087511 /nfs/dbraw/zinc/08/75/11/214087511.db2.gz NFALXMOKXZLWEP-UHFFFAOYSA-N 0 1 332.363 3.599 50 30 EHEAMN CCOc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)[nH]n2)cc1 ZINC000051315446 214087734 /nfs/dbraw/zinc/08/77/34/214087734.db2.gz NFEAYAKZQBNHJW-UHFFFAOYSA-N 0 1 332.363 3.599 50 30 EHEAMN C=C(C)CN1CCN(c2ncnc3sc4c(c32)C[C@@H](C)CC4)CC1 ZINC000004680051 210245871 /nfs/dbraw/zinc/24/58/71/210245871.db2.gz ZFOPPMLWGUFTEV-AWEZNQCLSA-N 0 1 342.512 3.514 50 30 EHEAMN CC1(C)CC(=O)C2=C(C1)Nc1c(C#N)cnn1[C@@H]2c1ccccc1F ZINC000049546524 214016802 /nfs/dbraw/zinc/01/68/02/214016802.db2.gz TWRKMGXCTGABON-QGZVFWFLSA-N 0 1 336.370 3.552 50 30 EHEAMN Cc1c(CN2CCC[C@@H](C(=O)CCc3ccccc3)C2)cc(C#N)n1C ZINC000072411281 216204081 /nfs/dbraw/zinc/20/40/81/216204081.db2.gz GPJDQJZMVWJHTL-LJQANCHMSA-N 0 1 349.478 3.619 50 30 EHEAMN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1OC ZINC000008816523 211009369 /nfs/dbraw/zinc/00/93/69/211009369.db2.gz XHSNVMFNJKBMNY-UHFFFAOYSA-N 0 1 332.359 3.598 50 30 EHEAMN C/C(=N\N=C1\NC(=O)C(Cc2ccc(C)cc2)S1)c1ccccc1 ZINC000005047962 210373912 /nfs/dbraw/zinc/37/39/12/210373912.db2.gz KHPBQEIBCURBAR-AQRZYSDFSA-N 0 1 337.448 3.549 50 30 EHEAMN CCOc1ccc(C(=O)/C(C)=C/c2ccc3c(c2)OCCO3)c(O)c1 ZINC000004025859 520872520 /nfs/dbraw/zinc/87/25/20/520872520.db2.gz KEXUFSXTPCIXTB-JLHYYAGUSA-N 0 1 340.375 3.848 50 30 biogenic EHEAMN Cc1cc(=NN=Cc2ccc(O)cc2)nc(NCc2ccccc2)[nH]1 ZINC000004860672 525043594 /nfs/dbraw/zinc/04/35/94/525043594.db2.gz CJKLFTMUUOFGRN-FYJGNVAPSA-N 0 1 333.395 3.549 50 30 EHEAMN S=c1[nH]nc(-c2ccco2)n1N=Cc1ccc(Br)cc1 ZINC000001244542 563381222 /nfs/dbraw/zinc/38/12/22/563381222.db2.gz TYLHUNFDHGVZIQ-OVCLIPMQSA-N 0 1 349.213 3.845 50 30 EHEAMN C=CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccccc1F ZINC000006492911 563570056 /nfs/dbraw/zinc/57/00/56/563570056.db2.gz XATLQTOJJGYBLD-QGZVFWFLSA-N 0 1 337.350 3.590 50 30 EHEAMN CC(C)(C)n1nc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1C1CC1 ZINC000048813747 564032317 /nfs/dbraw/zinc/03/23/17/564032317.db2.gz WXDBNMQVRXEMKC-CYBMUJFWSA-N 0 1 347.422 3.882 50 30 EHEAMN N#Cc1c2c(sc1NC(=O)CN1CCC[C@@H]3CCCC[C@H]31)CCC2 ZINC000007587369 564117969 /nfs/dbraw/zinc/11/79/69/564117969.db2.gz BGQSRJFKDINVFF-XJKSGUPXSA-N 0 1 343.496 3.702 50 30 EHEAMN Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccco3)N(C)C)o2)cc1 ZINC000027664180 1137977401 /nfs/dbraw/zinc/97/74/01/1137977401.db2.gz XIJMBILRSWGTHT-INIZCTEOSA-N 0 1 336.395 3.830 50 30 EHEAMN COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)C/C(=N/O)[C@H]2C)cc1 ZINC000100398673 219098247 /nfs/dbraw/zinc/09/82/47/219098247.db2.gz OYGRPLURZDNYIE-VZYOSZTLSA-N 0 1 340.423 3.946 50 30 EHEAMN COC(=O)c1sccc1N=NCc1cc(Br)cs1 ZINC000003909666 210093003 /nfs/dbraw/zinc/09/30/03/210093003.db2.gz CGPNEPSNXYEWAP-WLRTZDKTSA-N 0 1 345.243 3.805 50 30 EHEAMN N#CC1(NC(=O)CNC(c2ccccc2)c2ccccc2)CCCCC1 ZINC000030289792 212695246 /nfs/dbraw/zinc/69/52/46/212695246.db2.gz GFGHQTICJWHCDA-UHFFFAOYSA-N 0 1 347.462 3.708 50 30 EHEAMN COc1cc(C=C2CCCC(C(=O)C(F)(F)F)C2=O)ccc1O ZINC000020290149 212117053 /nfs/dbraw/zinc/11/70/53/212117053.db2.gz BETCPQFHPZTBJL-BCUQMESKSA-N 0 1 328.286 3.912 50 30 EHEAMN COc1ccccc1[C@H]1c2c(C)n[nH]c2NC2=C1C(=O)CC(C)(C)C2 ZINC000006995454 210753003 /nfs/dbraw/zinc/75/30/03/210753003.db2.gz KYFJPYWXCUCRPE-KRWDZBQOSA-N 0 1 337.423 3.927 50 30 EHEAMN Cc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(N(C)C)cc2)cc1 ZINC000001241521 563381064 /nfs/dbraw/zinc/38/10/64/563381064.db2.gz KXTAYXQSKSJNEV-XDHOZWIPSA-N 0 1 337.452 3.864 50 30 EHEAMN COc1ccc(CC2S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 ZINC000013477862 563699584 /nfs/dbraw/zinc/69/95/84/563699584.db2.gz HAIDZHYKVBGVMO-HNNXBMFYSA-N 0 1 346.839 3.810 50 30 EHEAMN CCn1nc(C)c(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)c1C ZINC000096411688 563950693 /nfs/dbraw/zinc/95/06/93/563950693.db2.gz OFORCFRUZYAXIN-UHFFFAOYSA-N 0 1 344.806 3.595 50 30 EHEAMN COc1ccc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nn1 ZINC000408515962 563993048 /nfs/dbraw/zinc/99/30/48/563993048.db2.gz CBNDLASWCQGSLM-HNNXBMFYSA-N 0 1 344.418 3.875 50 30 EHEAMN Cc1csc(C(C#N)C(=O)c2cccc(OCc3cccnc3)c2)n1 ZINC000073087274 563994774 /nfs/dbraw/zinc/99/47/74/563994774.db2.gz ZQFMKYWHLFSDNW-QGZVFWFLSA-N 0 1 349.415 3.916 50 30 EHEAMN O=[N+]([O-])c1ccc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000005173216 563999925 /nfs/dbraw/zinc/99/99/25/563999925.db2.gz YGXJZURMQTZERJ-OMCISZLKSA-N 0 1 344.205 3.561 50 30 EHEAMN Cc1ccc(CC2S/C(=N\N=C\c3cccs3)NC2=O)cc1C ZINC000006054335 564073092 /nfs/dbraw/zinc/07/30/92/564073092.db2.gz HWLXLMVCSAVNPG-BFERYNQYSA-N 0 1 343.477 3.529 50 30 EHEAMN N#CC(C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccccn1 ZINC000096422132 564147968 /nfs/dbraw/zinc/14/79/68/564147968.db2.gz NMGAZUPBJDBNAD-MJBXVCDLSA-N 0 1 346.308 3.960 50 30 EHEAMN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCc2ccccc21 ZINC000029484442 564153547 /nfs/dbraw/zinc/15/35/47/564153547.db2.gz AIZZTOTYMVQDLJ-SFHVURJKSA-N 0 1 339.826 3.769 50 30 EHEAMN COc1ccccc1[C@H](C)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000057838615 564156034 /nfs/dbraw/zinc/15/60/34/564156034.db2.gz ALQWOESZHDQXHW-LBPRGKRZSA-N 0 1 343.814 3.510 50 30 EHEAMN CC[C@@H](OC)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000068725506 564167662 /nfs/dbraw/zinc/16/76/62/564167662.db2.gz LMUDHIBCXZTDBN-NOZJJQNGSA-N 0 1 336.363 3.690 50 30 EHEAMN CCC1S/C(=N\N=C\c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000002354692 1128751073 /nfs/dbraw/zinc/75/10/73/1128751073.db2.gz HVFHBRLASUMCCI-SGKKMGNFSA-N 0 1 345.399 3.663 50 30 EHEAMN [O-]C(=[NH+]c1nncs1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000050076246 214043655 /nfs/dbraw/zinc/04/36/55/214043655.db2.gz FYVJYDRHRPUSGO-AWEZNQCLSA-N 0 1 342.449 3.793 50 30 EHEAMN Cc1cc(N=NC2CCc3ccccc32)nc(-c2ccccc2O)n1 ZINC000004065070 210112272 /nfs/dbraw/zinc/11/22/72/210112272.db2.gz OBVFSXWDMCAAEV-HAVVHWLPSA-N 0 1 330.391 3.920 50 30 EHEAMN C[C@@H](c1nnc[nH]1)n1cnc(-c2ccccc2)c1-c1cccc(C#N)c1 ZINC000067757705 215206773 /nfs/dbraw/zinc/20/67/73/215206773.db2.gz HAWIUKDCPPYBLN-AWEZNQCLSA-N 0 1 340.390 3.816 50 30 EHEAMN O=C1CCCC2=Nc3ncnn3[C@@H](c3c(Cl)cccc3Cl)C12 ZINC000012348214 211354597 /nfs/dbraw/zinc/35/45/97/211354597.db2.gz ZNYJUINOLRKDLL-AWEZNQCLSA-N 0 1 335.194 3.607 50 30 EHEAMN Cc1ccc(-c2c[nH]c(=NC(=O)NC[C@H](O)C(C)C)s2)c(C)c1 ZINC000328596006 258043137 /nfs/dbraw/zinc/04/31/37/258043137.db2.gz NGTQXWDUSXBIBR-AWEZNQCLSA-N 0 1 333.457 3.770 50 30 EHEAMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cc(O)ccc1C(F)(F)F ZINC000330032493 258002286 /nfs/dbraw/zinc/00/22/86/258002286.db2.gz OCSZQQSZFRGEBW-UHFFFAOYSA-N 0 1 339.195 3.789 50 30 EHEAMN CCCCCOc1ccc(C=Nn2c(=S)[nH]nc2CC)cc1OC ZINC000006067007 258051777 /nfs/dbraw/zinc/05/17/77/258051777.db2.gz XIOAMDRTPQRHJJ-LDADJPATSA-N 0 1 348.472 3.963 50 30 EHEAMN C=CCOc1ccccc1CN(CC)Cc1cccn1-c1ncccn1 ZINC000055182884 519067148 /nfs/dbraw/zinc/06/71/48/519067148.db2.gz RDGYKNQERBSLGI-UHFFFAOYSA-N 0 1 348.450 3.854 50 30 EHEAMN C/C(=N/N=C(c1ccccc1)c1ccccc1)c1c(O)cc(C)oc1=O ZINC000017072075 563835662 /nfs/dbraw/zinc/83/56/62/563835662.db2.gz HXTPCHWUOLCAPP-JCMHNJIXSA-N 0 1 346.386 3.915 50 30 EHEAMN C=C(C)[C@@H](CC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1)OCC ZINC000270110349 563997730 /nfs/dbraw/zinc/99/77/30/563997730.db2.gz SJZQTASHAVWTDE-QZTJIDSGSA-N 0 1 341.455 3.906 50 30 EHEAMN Cc1ccc(SCC(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000053523910 564081863 /nfs/dbraw/zinc/08/18/63/564081863.db2.gz CEFYPOHQTTXRKV-UHFFFAOYSA-N 0 1 325.397 3.555 50 30 EHEAMN Cc1csc(C(C#N)C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)n1 ZINC000079014714 564091710 /nfs/dbraw/zinc/09/17/10/564091710.db2.gz IZMDMNTYKOFUEE-OAHLLOKOSA-N 0 1 335.388 3.501 50 30 EHEAMN C=CCOc1ccc(CN[C@H]2CCCc3c2cnn3C)cc1Cl ZINC000066972356 215099559 /nfs/dbraw/zinc/09/95/59/215099559.db2.gz VZCUOZFMCQCSNH-INIZCTEOSA-N 0 1 331.847 3.806 50 30 EHEAMN Cc1c(CN2CCN(c3ccc4ccccc4c3)CC2)cc(C#N)n1C ZINC000072157951 216048765 /nfs/dbraw/zinc/04/87/65/216048765.db2.gz DGPCYOBCJWSJRN-UHFFFAOYSA-N 0 1 344.462 3.681 50 30 EHEAMN N#Cc1c(NC(=O)CCNCc2ccco2)sc2c1CCCCC2 ZINC000008394285 210947738 /nfs/dbraw/zinc/94/77/38/210947738.db2.gz JLUACZOBDHRAGM-UHFFFAOYSA-N 0 1 343.452 3.600 50 30 EHEAMN C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C2CC2)O1 ZINC000329896921 564001352 /nfs/dbraw/zinc/00/13/52/564001352.db2.gz CRQAKKFOYCZMGO-SJKOYZFVSA-N 0 1 347.846 3.689 50 30 EHEAMN N#Cc1c(=O)[nH]c(SCc2ccc(F)cc2)nc1-c1ccccc1 ZINC000005238210 564001446 /nfs/dbraw/zinc/00/14/46/564001446.db2.gz HCUOQUZSGHMDOI-UHFFFAOYSA-N 0 1 337.379 3.740 50 30 EHEAMN Cc1ccc(/C=N/N=C2\SC(C)C(=O)N2Cc2ccccc2)cc1 ZINC000034367100 564005340 /nfs/dbraw/zinc/00/53/40/564005340.db2.gz PWTAJCXUVVXLSP-KHZSXKRLSA-N 0 1 337.448 3.849 50 30 EHEAMN COc1cccc(C(=O)C=C(O)C(=O)Nc2cccc(Cl)c2)c1 ZINC000101355544 564019389 /nfs/dbraw/zinc/01/93/89/564019389.db2.gz NQVCGNOSJIMTQO-YBEGLDIGSA-N 0 1 331.755 3.612 50 30 EHEAMN C/C(=N\N=C1/NC(=O)C(Cc2ccccc2C)S1)c1ccccc1 ZINC000005756191 564029091 /nfs/dbraw/zinc/02/90/91/564029091.db2.gz KMJBWWOBPAHOSF-AQRZYSDFSA-N 0 1 337.448 3.549 50 30 EHEAMN Cn1nccc1C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000159807704 564054341 /nfs/dbraw/zinc/05/43/41/564054341.db2.gz IVTFGGMSOBCGNT-LBPRGKRZSA-N 0 1 342.811 3.687 50 30 EHEAMN C#Cc1cccc(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000072230590 564063798 /nfs/dbraw/zinc/06/37/98/564063798.db2.gz PBYSZPHEOTXPSZ-SFHVURJKSA-N 0 1 337.423 3.528 50 30 EHEAMN COc1ccccc1C=Nn1c(=S)[nH]nc1-c1ccccc1OC ZINC000005911558 564093334 /nfs/dbraw/zinc/09/33/34/564093334.db2.gz ORPBCDQCPVIZHD-WOJGMQOQSA-N 0 1 340.408 3.507 50 30 EHEAMN C=CCO[C@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000071803631 564175524 /nfs/dbraw/zinc/17/55/24/564175524.db2.gz DMMWVRGGFQXXCC-MNOVXSKESA-N 0 1 348.374 3.856 50 30 EHEAMN C=CCN(Cc1ccc(C)s1)Cc1cc(OC)c(O)c(OC)c1 ZINC000055358685 214311991 /nfs/dbraw/zinc/31/19/91/214311991.db2.gz JJBGFGDNFPHKTP-UHFFFAOYSA-N 0 1 333.453 3.968 50 30 EHEAMN CC(C)c1cc(C2CCN(C(=O)c3cc(F)cc(C#N)c3)CC2)n[nH]1 ZINC000067805035 215217035 /nfs/dbraw/zinc/21/70/35/215217035.db2.gz DCKSKVVZBPVKPT-UHFFFAOYSA-N 0 1 340.402 3.564 50 30 EHEAMN CN(C)[C@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccsc1 ZINC000072238605 216077459 /nfs/dbraw/zinc/07/74/59/216077459.db2.gz GPOIGUBVQPMCKK-MRXNPFEDSA-N 0 1 338.436 3.990 50 30 EHEAMN C/C(=N\N1CCN(Cc2cccc3ccccc32)CC1)c1ccncc1 ZINC000019791116 212068297 /nfs/dbraw/zinc/06/82/97/212068297.db2.gz TVNZGLNZJSOTEN-HKOYGPOVSA-N 0 1 344.462 3.777 50 30 EHEAMN CSc1nc2n(n1)[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000008914697 211017363 /nfs/dbraw/zinc/01/73/63/211017363.db2.gz WTDDKFMWBRNPNW-CYBMUJFWSA-N 0 1 346.481 3.720 50 30 EHEAMN C=CCN[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000095410500 218347472 /nfs/dbraw/zinc/34/74/72/218347472.db2.gz YKBMKRXAPOXBGE-QGZVFWFLSA-N 0 1 335.856 3.609 50 30 EHEAMN Cc1cc(N(CCC#N)C(=O)CN2CCC(C)CC2)ccc1Cl ZINC000028928015 525030548 /nfs/dbraw/zinc/03/05/48/525030548.db2.gz OXDMIQRQNVPGJO-UHFFFAOYSA-N 0 1 333.863 3.627 50 30 EHEAMN COc1ccc(OC)c(C=Nn2c(=S)[nH]nc2-c2ccccc2)c1 ZINC000001293967 563382403 /nfs/dbraw/zinc/38/24/03/563382403.db2.gz MSNVQUHPKANXMH-WOJGMQOQSA-N 0 1 340.408 3.507 50 30 EHEAMN C=CCc1cccc(C=Nn2c(=S)[nH]nc2-c2ccco2)c1O ZINC000001296641 563382681 /nfs/dbraw/zinc/38/26/81/563382681.db2.gz PLCAZEATBLXMAP-LICLKQGHSA-N 0 1 326.381 3.517 50 30 EHEAMN Cc1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2[N+](=O)[O-])cc1 ZINC000001299979 563382785 /nfs/dbraw/zinc/38/27/85/563382785.db2.gz GTXLFGIBVIAIFZ-LICLKQGHSA-N 0 1 339.380 3.707 50 30 EHEAMN CC1S/C(=N/N=C/c2c3ccccc3cc3ccccc32)NC1=O ZINC000005573311 563540787 /nfs/dbraw/zinc/54/07/87/563540787.db2.gz WFFWYBSBNIEHHX-DQAKUKQTSA-N 0 1 333.416 3.934 50 30 EHEAMN COc1ccccc1[C@@H](C)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000057838616 564156054 /nfs/dbraw/zinc/15/60/54/564156054.db2.gz ALQWOESZHDQXHW-GFCCVEGCSA-N 0 1 343.814 3.510 50 30 EHEAMN CN1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3ccc(F)c(Cl)c3)c12 ZINC000067540548 215160052 /nfs/dbraw/zinc/16/00/52/215160052.db2.gz PPAVYQGXZWEINQ-ZUZCIYMTSA-N 0 1 342.805 3.686 50 30 EHEAMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1ccccc1Cl ZINC000103504352 219309391 /nfs/dbraw/zinc/30/93/91/219309391.db2.gz KAFJSDYBYKBZDC-LLVKDONJSA-N 0 1 333.174 3.955 50 30 EHEAMN CN(C)[C@H](CNc1oc(-c2ccco2)nc1C#N)c1ccsc1 ZINC000072238615 216077273 /nfs/dbraw/zinc/07/72/73/216077273.db2.gz YAGQAPYQAQVHSY-CYBMUJFWSA-N 0 1 328.397 3.583 50 30 EHEAMN CC(C)(O)C#Cc1ccc(CN2CCC[C@H]2c2ccccn2)s1 ZINC000215086044 241106241 /nfs/dbraw/zinc/10/62/41/241106241.db2.gz UNJNMBIHARPHDU-SFHVURJKSA-N 0 1 326.465 3.603 50 30 EHEAMN C=C(C)CN(CC)Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C ZINC000012056503 211284092 /nfs/dbraw/zinc/28/40/92/211284092.db2.gz KCECZAABYRSZRT-UHFFFAOYSA-N 0 1 328.412 3.835 50 30 EHEAMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000011708785 211239627 /nfs/dbraw/zinc/23/96/27/211239627.db2.gz WEZOCWYHMKSSFQ-CABCVRRESA-N 0 1 337.423 3.635 50 30 EHEAMN C=CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cncn2C2CCCCC2)C1 ZINC000092021814 218105776 /nfs/dbraw/zinc/10/57/76/218105776.db2.gz HNVDTNRQMFZKEE-IBGZPJMESA-N 0 1 331.460 3.631 50 30 EHEAMN COc1ccc(CC(=N)NOC(=O)c2ccc3ccccc3c2)cc1 ZINC000004192118 523864772 /nfs/dbraw/zinc/86/47/72/523864772.db2.gz ZXZAGEUPACKMDC-UHFFFAOYSA-N 0 1 334.375 3.520 50 30 EHEAMN CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(O)c(Cl)c1 ZINC000000460741 563326058 /nfs/dbraw/zinc/32/60/58/563326058.db2.gz PFXIVTGTJHEOFM-VCHYOVAHSA-N 0 1 344.827 3.908 50 30 EHEAMN COc1cccc(C=Nn2c(=S)[nH]nc2C2CCCCC2)c1OC ZINC000005911455 563553917 /nfs/dbraw/zinc/55/39/17/563553917.db2.gz SBIRMASERGRSSS-WOJGMQOQSA-N 0 1 346.456 3.888 50 30 EHEAMN COc1cc(/C=C2\Sc3ccccc3C2=O)cc([N+](=O)[O-])c1O ZINC000013603143 563703607 /nfs/dbraw/zinc/70/36/07/563703607.db2.gz GWXUEBOFYLNZRU-ZSOIEALJSA-N 0 1 329.333 3.639 50 30 EHEAMN O=[N+]([O-])c1ccccc1NN=Cc1ccc(Br)s1 ZINC000016310535 563808477 /nfs/dbraw/zinc/80/84/77/563808477.db2.gz DIKPRHICCVRALH-QPEQYQDCSA-N 0 1 326.175 3.865 50 30 EHEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2ccccc2F)c1 ZINC000005911410 564093346 /nfs/dbraw/zinc/09/33/46/564093346.db2.gz YGFGQFMLWATIMZ-VCHYOVAHSA-N 0 1 328.372 3.638 50 30 EHEAMN CCC1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2C)C1=O ZINC000013144101 564103656 /nfs/dbraw/zinc/10/36/56/564103656.db2.gz ZONLYPIJWOAPRU-HSWSJEDYSA-N 0 1 341.436 3.832 50 30 EHEAMN N#Cc1ccc(N2CC[C@@H](N3CCC[C@H]3c3cccs3)C2=O)cc1 ZINC000089799971 564113920 /nfs/dbraw/zinc/11/39/20/564113920.db2.gz SHGVJRQRDAJCIR-DLBZAZTESA-N 0 1 337.448 3.562 50 30 EHEAMN Cc1cc([C@@H]2CCCN(Cc3cc(Cl)ccc3OCC#N)C2)n[nH]1 ZINC000076059690 564115158 /nfs/dbraw/zinc/11/51/58/564115158.db2.gz XDCAAMRJNYDLRS-CQSZACIVSA-N 0 1 344.846 3.654 50 30 EHEAMN Cc1cc([C@@H]2CCCN(Cc3cc(Cl)ccc3OCC#N)C2)[nH]n1 ZINC000076059690 564115159 /nfs/dbraw/zinc/11/51/59/564115159.db2.gz XDCAAMRJNYDLRS-CQSZACIVSA-N 0 1 344.846 3.654 50 30 EHEAMN CCCN1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000089959098 564115874 /nfs/dbraw/zinc/11/58/74/564115874.db2.gz CWYRUEAUZZSADJ-HNNXBMFYSA-N 0 1 346.500 3.640 50 30 EHEAMN N#Cc1cccc(-c2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c2C#N)c1 ZINC000095921786 564141916 /nfs/dbraw/zinc/14/19/16/564141916.db2.gz ZEMZUTROGBQAPO-UHFFFAOYSA-N 0 1 347.765 3.577 50 30 EHEAMN N#CC1(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)CCCCC1 ZINC000004484994 210199529 /nfs/dbraw/zinc/19/95/29/210199529.db2.gz ARAJGIRZDFAJKA-UHFFFAOYSA-N 0 1 348.859 3.651 50 30 EHEAMN COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)C/C(=N\O)[C@@H]2C)cc1 ZINC000004375776 210183655 /nfs/dbraw/zinc/18/36/55/210183655.db2.gz OYGRPLURZDNYIE-AGTCFENNSA-N 0 1 340.423 3.946 50 30 EHEAMN C=CCN(CC=C)C(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000000819253 209690509 /nfs/dbraw/zinc/69/05/09/209690509.db2.gz CITRPVCYKJGNHN-UHFFFAOYSA-N 0 1 332.875 3.753 50 30 EHEAMN N#CCSc1ccccc1NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000072596755 216279346 /nfs/dbraw/zinc/27/93/46/216279346.db2.gz MZOSAABZAPMSDI-HOCLYGCPSA-N 0 1 329.469 3.505 50 30 EHEAMN C#Cc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000022408414 212295498 /nfs/dbraw/zinc/29/54/98/212295498.db2.gz IRMHVKVLKNAMBY-UHFFFAOYSA-N 0 1 326.204 3.776 50 30 EHEAMN C/C(=N\N1CCN(Cc2cccc3ccccc32)CC1)c1cccnc1 ZINC000019791049 212067971 /nfs/dbraw/zinc/06/79/71/212067971.db2.gz LNPOBRXJZYGQMS-HKOYGPOVSA-N 0 1 344.462 3.777 50 30 EHEAMN N=C(Cc1ccc(Cl)cc1Cl)NOC(=O)Cc1ccccc1 ZINC000004954731 526814785 /nfs/dbraw/zinc/81/47/85/526814785.db2.gz USGAGBVIDLUVQG-UHFFFAOYSA-N 0 1 337.206 3.594 50 30 EHEAMN Cc1ccccc1-c1n[nH]c(=S)n1N=Cc1ccc([N+](=O)[O-])cc1 ZINC000005982052 563556811 /nfs/dbraw/zinc/55/68/11/563556811.db2.gz PGUIRPLDHFANGW-LICLKQGHSA-N 0 1 339.380 3.707 50 30 EHEAMN Cc1cc(C)n([C@H](C)C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)n1 ZINC000096411687 563950702 /nfs/dbraw/zinc/95/07/02/563950702.db2.gz POXMMYVGAGVDOF-LLVKDONJSA-N 0 1 344.806 3.788 50 30 EHEAMN CN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1F ZINC000100259451 563991945 /nfs/dbraw/zinc/99/19/45/563991945.db2.gz TWKFFRBNVTZGKV-DPEHCCBOSA-N 0 1 345.757 3.531 50 30 EHEAMN COc1ccccc1-c1n[nH]c(NC(=O)Cc2ccc(C)s2)n1 ZINC000064490002 564091761 /nfs/dbraw/zinc/09/17/61/564091761.db2.gz UJFMNCAEGWJNHR-UHFFFAOYSA-N 0 1 328.397 3.681 50 30 EHEAMN CN(C)c1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2F)cc1 ZINC000005823345 564093318 /nfs/dbraw/zinc/09/33/18/564093318.db2.gz QAIQMFKYDSXGJJ-YBFXNURJSA-N 0 1 341.415 3.695 50 30 EHEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2ccccc2OC)c1 ZINC000005911412 564093361 /nfs/dbraw/zinc/09/33/61/564093361.db2.gz LBGLPVCWGHGQOX-WOJGMQOQSA-N 0 1 340.408 3.507 50 30 EHEAMN C=CCSc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000007709675 564122187 /nfs/dbraw/zinc/12/21/87/564122187.db2.gz FCCRCJXRKYPSSQ-UHFFFAOYSA-N 0 1 330.434 3.637 50 30 EHEAMN CC/C(C)=N/N=c1/[nH]c(-c2cc3cc(OC)ccc3oc2=O)cs1 ZINC000013110438 564135999 /nfs/dbraw/zinc/13/59/99/564135999.db2.gz WIMWBXDBKITLFN-VXLYETTFSA-N 0 1 343.408 3.545 50 30 EHEAMN C=CCN(Cc1cc(OC)c(O)c(OC)c1)Cc1ccccc1C ZINC000055283727 214301935 /nfs/dbraw/zinc/30/19/35/214301935.db2.gz OCVFTDCXNBZZCA-UHFFFAOYSA-N 0 1 327.424 3.906 50 30 EHEAMN CCCCCCCCN1C=C(O)C(c2nc3ccc(C)cc3[nH]2)C1=N ZINC000097998490 219067502 /nfs/dbraw/zinc/06/75/02/219067502.db2.gz SKRRELKDLFLZAE-UHFFFAOYSA-N 0 1 340.471 3.744 50 30 EHEAMN CCCCCCCCN1C=C([O-])C(c2nc3ccc(C)cc3[nH]2)C1=[NH2+] ZINC000097998490 219067505 /nfs/dbraw/zinc/06/75/05/219067505.db2.gz SKRRELKDLFLZAE-UHFFFAOYSA-N 0 1 340.471 3.744 50 30 EHEAMN COc1ccc(C)cc1NC(=O)C([O-])=CC(=O)c1ccc(Cl)cc1 ZINC000101355174 219124303 /nfs/dbraw/zinc/12/43/03/219124303.db2.gz AIXNRAWQXTVEGB-YBEGLDIGSA-N 0 1 345.782 3.920 50 30 EHEAMN COc1ccc(C)cc1NC(=O)C(O)=CC(=O)c1ccc(Cl)cc1 ZINC000101355174 219124305 /nfs/dbraw/zinc/12/43/05/219124305.db2.gz AIXNRAWQXTVEGB-YBEGLDIGSA-N 0 1 345.782 3.920 50 30 EHEAMN N#Cc1cccnc1NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000040160639 213277587 /nfs/dbraw/zinc/27/75/87/213277587.db2.gz SBNWHMBHFYXSDE-KRWDZBQOSA-N 0 1 326.831 3.856 50 30 EHEAMN COc1ccc([C@H]2CCCN2[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000037458121 213148448 /nfs/dbraw/zinc/14/84/48/213148448.db2.gz MWJNVGMFLSTTPX-FOIQADDNSA-N 0 1 349.434 3.731 50 30 EHEAMN C[C@@H]1CCCC[N@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccco1)O2 ZINC000020503383 212141859 /nfs/dbraw/zinc/14/18/59/212141859.db2.gz ROYOMSAHTGNDLS-NCUBORBFSA-N 0 1 339.391 3.976 50 30 biogenic EHEAMN C=CCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@H]1c1cccs1 ZINC000016750856 563822533 /nfs/dbraw/zinc/82/25/33/563822533.db2.gz PGOKHFJHNKPDQP-OAHLLOKOSA-N 0 1 343.379 3.652 50 30 EHEAMN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1CCCC1 ZINC000103259815 564021990 /nfs/dbraw/zinc/02/19/90/564021990.db2.gz QXPJWKURJOQULX-CYBMUJFWSA-N 0 1 338.379 3.839 50 30 EHEAMN CC(C)CC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000103503465 564022532 /nfs/dbraw/zinc/02/25/32/564022532.db2.gz PTUGEVHZGHQJGR-GFCCVEGCSA-N 0 1 326.368 3.695 50 30 EHEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2cccc(F)c2)c1 ZINC000005911408 564093354 /nfs/dbraw/zinc/09/33/54/564093354.db2.gz FUABOCXSCNOKGF-VCHYOVAHSA-N 0 1 328.372 3.638 50 30 EHEAMN Cc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(N(C)C)cc2)c1 ZINC000005926809 564093406 /nfs/dbraw/zinc/09/34/06/564093406.db2.gz ZTVZJHFLQJKIRQ-XDHOZWIPSA-N 0 1 337.452 3.864 50 30 EHEAMN O=[N+]([O-])c1ccccc1C=Nn1c(-c2ccccc2F)n[nH]c1=S ZINC000005998108 564113001 /nfs/dbraw/zinc/11/30/01/564113001.db2.gz AYOGXSYHSWNTNP-RQZCQDPDSA-N 0 1 343.343 3.537 50 30 EHEAMN N#CCSCC(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000194205900 564120464 /nfs/dbraw/zinc/12/04/64/564120464.db2.gz YDXLFSMCQGJXPP-UHFFFAOYSA-N 0 1 340.383 3.564 50 30 EHEAMN Cc1csc([C@H](C#N)C(=O)c2cnc(OCC3CC3)c(Cl)c2)n1 ZINC000096010292 564144665 /nfs/dbraw/zinc/14/46/65/564144665.db2.gz KNTXKPJWXGFDLG-GFCCVEGCSA-N 0 1 347.827 3.779 50 30 EHEAMN Cc1csc(C(C#N)C(=O)c2cnc(OCC3CC3)c(Cl)c2)n1 ZINC000096010292 564144666 /nfs/dbraw/zinc/14/46/66/564144666.db2.gz KNTXKPJWXGFDLG-GFCCVEGCSA-N 0 1 347.827 3.779 50 30 EHEAMN N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2CCCC[C@H]21 ZINC000230113801 564154627 /nfs/dbraw/zinc/15/46/27/564154627.db2.gz MZOSAABZAPMSDI-GOEBONIOSA-N 0 1 329.469 3.505 50 30 EHEAMN N#CCSc1ccccc1NC(=O)CN1CC[C@@H]2CCCC[C@H]21 ZINC000230113801 564154628 /nfs/dbraw/zinc/15/46/28/564154628.db2.gz MZOSAABZAPMSDI-GOEBONIOSA-N 0 1 329.469 3.505 50 30 EHEAMN Cn1c(-c2ccccc2)nnc1C(C#N)C(=O)c1sccc1C1CC1 ZINC000069810073 564172238 /nfs/dbraw/zinc/17/22/38/564172238.db2.gz JAMSRTRJXGMRGJ-OAHLLOKOSA-N 0 1 348.431 3.911 50 30 EHEAMN N#CC(C(=O)c1ccccc1-n1cccn1)c1nc2ccccc2o1 ZINC000054735564 214252218 /nfs/dbraw/zinc/25/22/18/214252218.db2.gz PURMXSSIEQJZOB-AWEZNQCLSA-N 0 1 328.331 3.504 50 30 EHEAMN COC(=O)c1sccc1NN=Cc1ccc(OC(F)(F)F)cc1 ZINC000003909575 210090881 /nfs/dbraw/zinc/09/08/81/210090881.db2.gz GABLCFZNRXFRIX-QGMBQPNBSA-N 0 1 344.314 3.879 50 30 EHEAMN C/C(=N/N=C1/NC(=O)C(Cc2ccccc2)S1)c1ccc(C)cc1 ZINC000004866463 210307304 /nfs/dbraw/zinc/30/73/04/210307304.db2.gz ZRIAOIYEYUFHNE-RHTHQAGFSA-N 0 1 337.448 3.549 50 30 EHEAMN N=C(Cc1ccc(Cl)cc1Cl)NOC(=O)Cc1cccs1 ZINC000004845229 526815497 /nfs/dbraw/zinc/81/54/97/526815497.db2.gz RXMRINCMBNJOTM-UHFFFAOYSA-N 0 1 343.235 3.656 50 30 EHEAMN CSc1ccc(O[C@H](C)C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000096420353 563951530 /nfs/dbraw/zinc/95/15/30/563951530.db2.gz DSBFUYAEFFPESR-BXUZGUMPSA-N 0 1 332.450 3.817 50 30 EHEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2OC)cc1 ZINC000001297552 563382773 /nfs/dbraw/zinc/38/27/73/563382773.db2.gz HBTRIYCVCVUPAQ-WOJGMQOQSA-N 0 1 340.408 3.507 50 30 EHEAMN Oc1ccc(Br)cc1C=NNc1ncnc2ccccc21 ZINC000004536738 563760152 /nfs/dbraw/zinc/76/01/52/563760152.db2.gz SGZLVIMOMBSQLL-UFWORHAWSA-N 0 1 343.184 3.544 50 30 EHEAMN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccco1 ZINC000103503462 564022557 /nfs/dbraw/zinc/02/25/57/564022557.db2.gz XKRKTVXDSIEKQV-NSHDSACASA-N 0 1 336.319 3.555 50 30 EHEAMN COc1ccc(CN[C@@H]2COc3ccccc32)cc1OCCCC#N ZINC000105468233 564025203 /nfs/dbraw/zinc/02/52/03/564025203.db2.gz IQTJZRBJOANGCQ-QGZVFWFLSA-N 0 1 338.407 3.601 50 30 EHEAMN CN(CC(=O)NC1(C#N)CCCCCC1)[C@@H]1CCCc2ccccc21 ZINC000048332568 564031092 /nfs/dbraw/zinc/03/10/92/564031092.db2.gz BRTWWMASRJUNBB-LJQANCHMSA-N 0 1 339.483 3.729 50 30 EHEAMN C=CCn1c(SCc2ccc(Cl)cc2)nc(O)c(CC)c1=O ZINC000016513924 564074446 /nfs/dbraw/zinc/07/44/46/564074446.db2.gz AOOKTDLWSGOWOS-UHFFFAOYSA-N 0 1 336.844 3.643 50 30 EHEAMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cnc(-c2ccccc2)s1 ZINC000053527639 564081890 /nfs/dbraw/zinc/08/18/90/564081890.db2.gz ISBAGPOZEJAUTG-UHFFFAOYSA-N 0 1 348.391 3.627 50 30 EHEAMN Cc1nc(NC(=O)c2cc(C)cc3c[nH]nc32)sc1SCC#N ZINC000069414494 564169201 /nfs/dbraw/zinc/16/92/01/564169201.db2.gz QYJODDYNWBJWFF-UHFFFAOYSA-N 0 1 343.437 3.504 50 30 EHEAMN N#CC(C(=O)[C@H]1C[C@H]1c1ccccc1Br)c1ccccn1 ZINC000071850169 564175986 /nfs/dbraw/zinc/17/59/86/564175986.db2.gz QLVDARAVZQQIMR-IHRRRGAJSA-N 0 1 341.208 3.824 50 30 EHEAMN C[C@@H]1CCC[C@@H]([NH+]=C([O-])N2CCC[C@H]2Cn2cc(C3CC3)nn2)CC1 ZINC000329380704 1039044397 /nfs/dbraw/zinc/04/43/97/1039044397.db2.gz NQLXIUXJNAIVBS-OIISXLGYSA-N 0 1 345.491 3.503 50 30 EHEAMN C/C(=N\Nc1nc(-c2ccccc2)cs1)c1c(O)cc(C)oc1=O ZINC000100920380 219110848 /nfs/dbraw/zinc/11/08/48/219110848.db2.gz JRTFHZCWCWWGJO-YBFXNURJSA-N 0 1 341.392 3.613 50 30 EHEAMN COC(=O)c1scc(C)c1N=NC1CCOc2ccc(F)cc21 ZINC000003909123 210091237 /nfs/dbraw/zinc/09/12/37/210091237.db2.gz PGMSGYPRKFGZBA-LDADJPATSA-N 0 1 334.372 3.581 50 30 EHEAMN COc1ccc(-c2nc(NC3CCC(C)CC3)[nH]c(=O)c2C#N)cc1 ZINC000040129985 213270101 /nfs/dbraw/zinc/27/01/01/213270101.db2.gz YUOUPJBDXUAROC-UHFFFAOYSA-N 0 1 338.411 3.720 50 30 EHEAMN CCCCc1nc(SCC(=O)Nc2ccccc2C#N)[nH]c1C ZINC000009191461 211050075 /nfs/dbraw/zinc/05/00/75/211050075.db2.gz HQOHEFLYFPIKGY-UHFFFAOYSA-N 0 1 328.441 3.663 50 30 EHEAMN CCOc1ccc(-c2cc(-c3ccc(OC)cc3)[nH]c(=O)c2C#N)cc1 ZINC000005927309 210561167 /nfs/dbraw/zinc/56/11/67/210561167.db2.gz NEROCPXMKQAVJH-UHFFFAOYSA-N 0 1 346.386 3.988 50 30 EHEAMN CCC1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2)C1=O ZINC000004898147 210315499 /nfs/dbraw/zinc/31/54/99/210315499.db2.gz FQRPOUBLXAAISR-WPFCCQJKSA-N 0 1 327.409 3.524 50 30 EHEAMN Cc1cc(N=NCc2cccc(F)c2)nc(NCc2ccccc2)n1 ZINC000004837567 525044847 /nfs/dbraw/zinc/04/48/47/525044847.db2.gz XHMJOWSQIAUPAK-LPYMAVHISA-N 0 1 335.386 3.982 50 30 EHEAMN C(=NNc1nc(-c2cccnc2)nc2ccccc21)c1cccnc1 ZINC000005008574 1042751675 /nfs/dbraw/zinc/75/16/75/1042751675.db2.gz CLHRHXYEWAXUHJ-WSDLNYQXSA-N 0 1 326.363 3.533 50 30 EHEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2cc(C(C)C)ccc2O)c1O ZINC000102414149 219202297 /nfs/dbraw/zinc/20/22/97/219202297.db2.gz QOKYIFHRGRAQDH-GIJQJNRQSA-N 0 1 330.340 3.889 50 30 EHEAMN C/C(=N\N=C1\NC(=O)C(Cc2ccc(C)cc2)S1)c1ccccc1 ZINC000005047965 210374279 /nfs/dbraw/zinc/37/42/79/210374279.db2.gz KHPBQEIBCURBAR-JPOGYNCRSA-N 0 1 337.448 3.549 50 30 EHEAMN CC1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2)C1=O ZINC000004902585 210318229 /nfs/dbraw/zinc/31/82/29/210318229.db2.gz VSPVHAUHHAFJFU-FWUNCDEUSA-N 0 1 329.450 3.602 50 30 EHEAMN CC1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2)C1=O ZINC000004902590 210317483 /nfs/dbraw/zinc/31/74/83/210317483.db2.gz VSPVHAUHHAFJFU-OZVLPLFASA-N 0 1 329.450 3.602 50 30 EHEAMN C[C@H](c1ccc(-c2cc(C#N)n(C(F)F)c2)cc1)N1CCOCC1 ZINC000426632813 257960482 /nfs/dbraw/zinc/96/04/82/257960482.db2.gz AOTIDWXXUGJVBZ-CYBMUJFWSA-N 0 1 331.366 3.815 50 30 EHEAMN COc1ccccc1/C=N/N(C)c1cc(C)nc(-c2ccccc2O)n1 ZINC000004697415 524324541 /nfs/dbraw/zinc/32/45/41/524324541.db2.gz MKHLDLQTXBMAET-FYJGNVAPSA-N 0 1 348.406 3.637 50 30 EHEAMN S=c1[nH]nc(-c2ccco2)n1N=Cc1cccc(Br)c1 ZINC000001249298 563381670 /nfs/dbraw/zinc/38/16/70/563381670.db2.gz PUHRWZOIWFADIG-OVCLIPMQSA-N 0 1 349.213 3.845 50 30 EHEAMN Cc1ccc(-c2n[nH]c(NC(=O)CSCc3ccccn3)n2)s1 ZINC000058218989 563940188 /nfs/dbraw/zinc/94/01/88/563940188.db2.gz WSXPEVJYIJXTEG-UHFFFAOYSA-N 0 1 345.453 3.758 50 30 EHEAMN CC1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000033923785 564000742 /nfs/dbraw/zinc/00/07/42/564000742.db2.gz OPKYFZMKAXOIAK-CJARSDEPSA-N 0 1 341.411 3.680 50 30 EHEAMN CSc1ccc(C(=O)C(C#N)C(=O)Nc2cccc(Cl)c2)o1 ZINC000101093354 564018832 /nfs/dbraw/zinc/01/88/32/564018832.db2.gz WAHYSTYSCZZKBQ-NSHDSACASA-N 0 1 334.784 3.616 50 30 EHEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2O)cc1 ZINC000005906661 564056881 /nfs/dbraw/zinc/05/68/81/564056881.db2.gz UUJXOKUFERZAAK-WOJGMQOQSA-N 0 1 340.408 3.594 50 30 EHEAMN C=CCn1cc(CN2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 ZINC000065382206 564066774 /nfs/dbraw/zinc/06/67/74/564066774.db2.gz SHXBLAKWPVFCID-FCHUYYIVSA-N 0 1 347.462 3.573 50 30 EHEAMN C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000071794638 564111129 /nfs/dbraw/zinc/11/11/29/564111129.db2.gz QULJVZNDHNSSMN-AWEZNQCLSA-N 0 1 344.484 3.685 50 30 EHEAMN N#Cc1cccc(Cl)c1NC1CCN(Cc2ccccn2)CC1 ZINC000089883716 564114701 /nfs/dbraw/zinc/11/47/01/564114701.db2.gz HEOAGGBHVCRKCI-UHFFFAOYSA-N 0 1 326.831 3.683 50 30 EHEAMN CCCN1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000089959101 564115871 /nfs/dbraw/zinc/11/58/71/564115871.db2.gz CWYRUEAUZZSADJ-OAHLLOKOSA-N 0 1 346.500 3.640 50 30 EHEAMN Cc1ccc2nc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)[nH]c2c1 ZINC000006908921 564133777 /nfs/dbraw/zinc/13/37/77/564133777.db2.gz XBSSNVOSJSLTMD-LBPRGKRZSA-N 0 1 336.420 3.862 50 30 EHEAMN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnc(-c2ccco2)s1 ZINC000171479964 564164827 /nfs/dbraw/zinc/16/48/27/564164827.db2.gz PVDRMBGTAFVCRU-NSHDSACASA-N 0 1 348.387 3.780 50 30 EHEAMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cnc(-c2ccco2)s1 ZINC000171479964 564164828 /nfs/dbraw/zinc/16/48/28/564164828.db2.gz PVDRMBGTAFVCRU-NSHDSACASA-N 0 1 348.387 3.780 50 30 EHEAMN OCC#Cc1csc(CN2CCCC[C@@H]2c2cccc(F)c2)c1 ZINC000828644567 1131443009 /nfs/dbraw/zinc/44/30/09/1131443009.db2.gz FMPTWLGRIQTJFO-LJQANCHMSA-N 0 1 329.440 3.958 50 30 EHEAMN O=C1Nc2ccccc2C(=O)C1=CNc1cccc(C(F)(F)F)c1 ZINC000100167777 219093234 /nfs/dbraw/zinc/09/32/34/219093234.db2.gz LHVQGBJTEQEEDJ-LCYFTJDESA-N 0 1 332.281 3.836 50 30 EHEAMN Cc1c(C#N)c2ccccc2n1Cc1nnc(Cc2ccccc2)[nH]1 ZINC000067491045 215154440 /nfs/dbraw/zinc/15/44/40/215154440.db2.gz VLUNLLIGVSRTPR-UHFFFAOYSA-N 0 1 327.391 3.579 50 30 EHEAMN C/C(=N/N1CCN(Cc2cccc3ccccc32)CC1)c1ccncc1 ZINC000020101831 212100442 /nfs/dbraw/zinc/10/04/42/212100442.db2.gz TVNZGLNZJSOTEN-MOHJPFBDSA-N 0 1 344.462 3.777 50 30 EHEAMN Cc1ccc(-c2n[nH]c(=S)n2N=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000004889029 210312807 /nfs/dbraw/zinc/31/28/07/210312807.db2.gz FLFRXPOGAZGUKD-LICLKQGHSA-N 0 1 339.380 3.707 50 30 EHEAMN C=CCn1cc(CN(Cc2ccc(OCC)cc2)C2CC2)c(C)n1 ZINC000055369015 519277258 /nfs/dbraw/zinc/27/72/58/519277258.db2.gz IWVJIIFTRVVPEW-UHFFFAOYSA-N 0 1 325.456 3.941 50 30 EHEAMN CCOc1ccc(C(=O)[C@@H](C)Sc2nc3c([nH]2)C(C)=CC3=O)cc1 ZINC000000407732 563307324 /nfs/dbraw/zinc/30/73/24/563307324.db2.gz NPRSUWNDOVOVBW-LLVKDONJSA-N 0 1 342.420 3.772 50 30 EHEAMN CCOc1cc(C=Nn2c(=S)[nH]nc2-c2ccccc2)ccc1O ZINC000001261133 563382007 /nfs/dbraw/zinc/38/20/07/563382007.db2.gz SACZZWMQWVSXID-WOJGMQOQSA-N 0 1 340.408 3.594 50 30 EHEAMN COc1ccc([C@@H]2C/C(=N\O)[C@@H](C)[C@@H](c3ccc(OC)cc3)N2)cc1 ZINC000013468137 563698827 /nfs/dbraw/zinc/69/88/27/563698827.db2.gz OYGRPLURZDNYIE-QTNVULLISA-N 0 1 340.423 3.946 50 30 EHEAMN CN(CC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000029810334 563908651 /nfs/dbraw/zinc/90/86/51/563908651.db2.gz QTWLPKGQHNYJOR-HXUWFJFHSA-N 0 1 333.435 3.553 50 30 EHEAMN CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)sn2)cc1 ZINC000408514942 563992942 /nfs/dbraw/zinc/99/29/42/563992942.db2.gz FRAGEAQYUCZBSK-NHYWBVRUSA-N 0 1 341.436 3.926 50 30 EHEAMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)sn2)cc1 ZINC000408514942 563992943 /nfs/dbraw/zinc/99/29/43/563992943.db2.gz FRAGEAQYUCZBSK-NHYWBVRUSA-N 0 1 341.436 3.926 50 30 EHEAMN CCCCCCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 ZINC000003140835 564013571 /nfs/dbraw/zinc/01/35/71/564013571.db2.gz KVFLUYGWTPHMJH-UHFFFAOYSA-N 0 1 330.384 3.626 50 30 EHEAMN CN(CC(=O)NC1(C#N)CCCCCC1)[C@H]1CCCc2ccccc21 ZINC000048332569 564031062 /nfs/dbraw/zinc/03/10/62/564031062.db2.gz BRTWWMASRJUNBB-IBGZPJMESA-N 0 1 339.483 3.729 50 30 EHEAMN N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H]3c3cccs3)C2=O)cc1 ZINC000249116872 564103649 /nfs/dbraw/zinc/10/36/49/564103649.db2.gz SHGVJRQRDAJCIR-IRXDYDNUSA-N 0 1 337.448 3.562 50 30 EHEAMN N#Cc1ccc(N2CC[C@H](N3CCC[C@H]3c3cccs3)C2=O)cc1 ZINC000249116872 564103650 /nfs/dbraw/zinc/10/36/50/564103650.db2.gz SHGVJRQRDAJCIR-IRXDYDNUSA-N 0 1 337.448 3.562 50 30 EHEAMN CC(C)CCN(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000069416011 564169265 /nfs/dbraw/zinc/16/92/65/564169265.db2.gz QMOPEDFQYFRRTD-UHFFFAOYSA-N 0 1 333.501 3.805 50 30 EHEAMN Cn1c(-c2ccccc2)nnc1C(C#N)C(=O)c1sccc1C1CC1 ZINC000069810072 564172267 /nfs/dbraw/zinc/17/22/67/564172267.db2.gz JAMSRTRJXGMRGJ-HNNXBMFYSA-N 0 1 348.431 3.911 50 30 EHEAMN COc1ccc([C@H]2CCCN2[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000024715981 568418196 /nfs/dbraw/zinc/41/81/96/568418196.db2.gz MWJNVGMFLSTTPX-MGPUTAFESA-N 0 1 349.434 3.731 50 30 EHEAMN Cc1cnc(C2CN(Cc3ccc(C#N)cc3)C2)n1Cc1ccccc1 ZINC000581812701 1132366287 /nfs/dbraw/zinc/36/62/87/1132366287.db2.gz HMOVVCICALHPNZ-UHFFFAOYSA-N 0 1 342.446 3.711 50 30 EHEAMN CCCC1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2)C1=O ZINC000036093486 213063907 /nfs/dbraw/zinc/06/39/07/213063907.db2.gz FZVNHHVAJMYSBL-TXVOGCCPSA-N 0 1 341.436 3.914 50 30 EHEAMN C/C(=N/N1CCN(Cc2cccc3ccccc32)CC1)c1ccco1 ZINC000020130133 212104261 /nfs/dbraw/zinc/10/42/61/212104261.db2.gz KQTCGRICYMNKIZ-XLNRJJMWSA-N 0 1 333.435 3.975 50 30 EHEAMN OCC1(CCc2ccccc2)CCN(CC#Cc2ccccc2)CC1 ZINC000012387331 211364990 /nfs/dbraw/zinc/36/49/90/211364990.db2.gz PRZNDTKZHWSZES-UHFFFAOYSA-N 0 1 333.475 3.745 50 30 EHEAMN COc1ccc2nc(C)cc(C(=O)C(C#N)c3nc(C)cs3)c2c1 ZINC000093242879 218206914 /nfs/dbraw/zinc/20/69/14/218206914.db2.gz FNSIDSXFQXQBAQ-OAHLLOKOSA-N 0 1 337.404 3.807 50 30 EHEAMN COc1ccc2nc(C)cc(C(=O)[C@@H](C#N)c3nc(C)cs3)c2c1 ZINC000093242879 218206917 /nfs/dbraw/zinc/20/69/17/218206917.db2.gz FNSIDSXFQXQBAQ-OAHLLOKOSA-N 0 1 337.404 3.807 50 30 EHEAMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)[C@@H]1CCc2n[nH]cc2C1 ZINC000328586472 258046718 /nfs/dbraw/zinc/04/67/18/258046718.db2.gz XSTIKVYACWVLCD-LLVKDONJSA-N 0 1 347.378 3.939 50 30 EHEAMN C=CCOc1ccc(C[N@@H+](C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000012904216 519031825 /nfs/dbraw/zinc/03/18/25/519031825.db2.gz AQBGBNIHCKMUFN-UHFFFAOYSA-N 0 1 341.436 3.594 50 30 EHEAMN Cc1cc(N=NCc2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2O)n1 ZINC000004752008 525043701 /nfs/dbraw/zinc/04/37/01/525043701.db2.gz KYMBKWAZEOIIHI-YBFXNURJSA-N 0 1 349.350 3.512 50 30 EHEAMN COc1cccc(C=Nn2c(=S)[nH]nc2C2CCCCC2)c1O ZINC000001251591 563381712 /nfs/dbraw/zinc/38/17/12/563381712.db2.gz SVWDVWLJYCTONR-LICLKQGHSA-N 0 1 332.429 3.585 50 30 EHEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C#N)CCC2 ZINC000101122905 564019220 /nfs/dbraw/zinc/01/92/20/564019220.db2.gz PBOBPSLZANKDGF-WJDWOHSUSA-N 0 1 348.431 3.827 50 30 EHEAMN COc1ccc(-c2nc(Nc3ccc(C)cc3)[nH]c(=O)c2C#N)cc1 ZINC000075286453 564081568 /nfs/dbraw/zinc/08/15/68/564081568.db2.gz LTGXACLJVAOQSP-UHFFFAOYSA-N 0 1 332.363 3.782 50 30 EHEAMN COc1cccc(C=Nn2c(=S)[nH]nc2-c2cccc(C)c2)c1O ZINC000001272939 564117914 /nfs/dbraw/zinc/11/79/14/564117914.db2.gz LRRKEPFQVURGTK-VCHYOVAHSA-N 0 1 340.408 3.513 50 30 EHEAMN CN(C)[C@@H](CNc1oc(-c2ccccc2F)nc1C#N)c1ccco1 ZINC000027988542 564149903 /nfs/dbraw/zinc/14/99/03/564149903.db2.gz XAGZNBYMNPTYBZ-HNNXBMFYSA-N 0 1 340.358 3.660 50 30 EHEAMN CN(CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1CCCc2ccccc21 ZINC000008339512 564164573 /nfs/dbraw/zinc/16/45/73/564164573.db2.gz IIWXDYIPPZPCNX-LJQANCHMSA-N 0 1 339.483 3.681 50 30 EHEAMN Cc1cc(C[C@H](C)n2ccnc2-c2ccc(C#CC(C)(C)O)cc2)[nH]n1 ZINC000072427194 216217002 /nfs/dbraw/zinc/21/70/02/216217002.db2.gz JBBKMRKCSUYUED-INIZCTEOSA-N 0 1 348.450 3.508 50 30 EHEAMN N#CCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000012429180 211377494 /nfs/dbraw/zinc/37/74/94/211377494.db2.gz FXBHMEPXOCQONM-UHFFFAOYSA-N 0 1 341.219 3.860 50 30 EHEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(OC)c2)cc1 ZINC000004889137 210312491 /nfs/dbraw/zinc/31/24/91/210312491.db2.gz GKSZGGZCSWWHQX-WOJGMQOQSA-N 0 1 340.408 3.507 50 30 EHEAMN COc1ccc(C(=N)NOC(=O)c2ccccc2-c2ccccc2)cc1 ZINC000005013578 523369948 /nfs/dbraw/zinc/36/99/48/523369948.db2.gz UXOVBYZKJZOTFK-UHFFFAOYSA-N 0 1 346.386 3.840 50 30 EHEAMN CN(C)c1ccc(C=Nn2c(=S)[nH]nc2C2CCCCC2)cc1 ZINC000001239361 563381018 /nfs/dbraw/zinc/38/10/18/563381018.db2.gz PDYBCZFHAAOLDH-LDADJPATSA-N 0 1 329.473 3.937 50 30 EHEAMN COc1ccc2nc(SCc3cn4ccccc4c3C#N)[nH]c2c1 ZINC000032871613 563769164 /nfs/dbraw/zinc/76/91/64/563769164.db2.gz GNJVHSFHYRSGRT-UHFFFAOYSA-N 0 1 334.404 3.988 50 30 EHEAMN COc1ccc([C@H]2c3c(C)n[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017945177 563846294 /nfs/dbraw/zinc/84/62/94/563846294.db2.gz WEUWOYRGEJPEHL-KRWDZBQOSA-N 0 1 337.423 3.927 50 30 EHEAMN N#CCSCC(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000154644174 564097954 /nfs/dbraw/zinc/09/79/54/564097954.db2.gz VHMBRVVFPZYROD-UHFFFAOYSA-N 0 1 328.441 3.806 50 30 EHEAMN CCC1S/C(=N\N=C\c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000013635891 564111833 /nfs/dbraw/zinc/11/18/33/564111833.db2.gz HVFHBRLASUMCCI-XBRYESLDSA-N 0 1 345.399 3.663 50 30 EHEAMN CCC1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2C)C1=O ZINC000013635865 564111858 /nfs/dbraw/zinc/11/18/58/564111858.db2.gz ZONLYPIJWOAPRU-CXDOIHPCSA-N 0 1 341.436 3.832 50 30 EHEAMN C[C@@H]1CCC[C@H]([NH+]=C([O-])N2CCC[C@H]2Cn2cc(C3CC3)nn2)CC1 ZINC000329380705 1039044577 /nfs/dbraw/zinc/04/45/77/1039044577.db2.gz NQLXIUXJNAIVBS-PVAVHDDUSA-N 0 1 345.491 3.503 50 30 EHEAMN N#CC(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nc2ccccc2o1 ZINC000054736828 214253022 /nfs/dbraw/zinc/25/30/22/214253022.db2.gz LTWTYPZJNKQNKB-NSHDSACASA-N 0 1 346.302 3.707 50 30 EHEAMN N#C[C@@H](C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nc2ccccc2o1 ZINC000054736828 214253024 /nfs/dbraw/zinc/25/30/24/214253024.db2.gz LTWTYPZJNKQNKB-NSHDSACASA-N 0 1 346.302 3.707 50 30 EHEAMN CC(C)C(=O)C(C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000101635116 219149301 /nfs/dbraw/zinc/14/93/01/219149301.db2.gz STYOFSWJBVDTSG-SECBINFHSA-N 0 1 332.709 3.662 50 30 EHEAMN CCCCc1nc(SCC(=O)Nc2[nH]c(C)c(C)c2C#N)[nH]c1C ZINC000012410912 211372301 /nfs/dbraw/zinc/37/23/01/211372301.db2.gz GYAHGERXZBDXRS-UHFFFAOYSA-N 0 1 345.472 3.608 50 30 EHEAMN CC/C(=N\N=C1\SC(C)C(=O)N1Cc1ccco1)c1ccccc1 ZINC000012401985 211369708 /nfs/dbraw/zinc/36/97/08/211369708.db2.gz IOQGCFQJRDDVBG-YKJRZAGSSA-N 0 1 341.436 3.914 50 30 EHEAMN C=CC[C@@H]1CC=C[C@@H](C)N1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000012299611 211337769 /nfs/dbraw/zinc/33/77/69/211337769.db2.gz YOSLAYUTDNISQE-UKRRQHHQSA-N 0 1 339.395 3.560 50 30 EHEAMN C=CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000091651269 218039503 /nfs/dbraw/zinc/03/95/03/218039503.db2.gz RVQAEJJNUGYAJM-LJQANCHMSA-N 0 1 326.396 3.585 50 30 EHEAMN Cc1cc(NN=Cc2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2)n1 ZINC000004812014 210284000 /nfs/dbraw/zinc/28/40/00/210284000.db2.gz UXFWRGAQKCQQHR-XDHOZWIPSA-N 0 1 333.351 3.806 50 30 EHEAMN C[C@@H]1C[N@@H+](Cc2ccccc2)Cc2c1nc(N)c(C#N)c2-c1ccco1 ZINC000071759885 563983050 /nfs/dbraw/zinc/98/30/50/563983050.db2.gz JLGOXGPWUKDNKP-CQSZACIVSA-N 0 1 344.418 3.915 50 30 EHEAMN C[C@@H]1CN(Cc2ccccc2)Cc2c1nc(N)c(C#N)c2-c1ccco1 ZINC000071759885 563983051 /nfs/dbraw/zinc/98/30/51/563983051.db2.gz JLGOXGPWUKDNKP-CQSZACIVSA-N 0 1 344.418 3.915 50 30 EHEAMN CSc1ccc(C(=O)C(C#N)C(=O)Nc2cccc(Cl)c2)o1 ZINC000101093349 564018807 /nfs/dbraw/zinc/01/88/07/564018807.db2.gz WAHYSTYSCZZKBQ-LLVKDONJSA-N 0 1 334.784 3.616 50 30 EHEAMN C#CCN1CCC(C(=O)N2CCC[C@H]2c2cccc3ccccc32)CC1 ZINC000058299482 564065212 /nfs/dbraw/zinc/06/52/12/564065212.db2.gz BRKSBWHFTYGOPC-QFIPXVFZSA-N 0 1 346.474 3.849 50 30 EHEAMN Cc1c2ccccc2oc1CNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000328587568 564136547 /nfs/dbraw/zinc/13/65/47/564136547.db2.gz BLNRRHINJHMOJX-UHFFFAOYSA-N 0 1 338.411 3.758 50 30 EHEAMN N#Cc1cccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000004485019 210200163 /nfs/dbraw/zinc/20/01/63/210200163.db2.gz GPWXEBFMNVUEOU-UHFFFAOYSA-N 0 1 342.811 3.819 50 30 EHEAMN Cc1ccc(C(=O)ONC(=N)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000004954767 526236895 /nfs/dbraw/zinc/23/68/95/526236895.db2.gz DBTCBKHBIMQLRG-UHFFFAOYSA-N 0 1 337.206 3.974 50 30 EHEAMN COc1cccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)c1OC ZINC000001241090 563381038 /nfs/dbraw/zinc/38/10/38/563381038.db2.gz IBHRRZQEQACVTP-WOJGMQOQSA-N 0 1 340.408 3.507 50 30 EHEAMN C=CCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@H]1c1ccccc1 ZINC000016741396 563822209 /nfs/dbraw/zinc/82/22/09/563822209.db2.gz ZONIADOSIBHDHW-OAHLLOKOSA-N 0 1 325.389 3.512 50 30 EHEAMN C#Cc1cccc(NC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000072291987 563909287 /nfs/dbraw/zinc/90/92/87/563909287.db2.gz DCJZHOIVFNELDT-CRAIPNDOSA-N 0 1 339.464 3.544 50 30 EHEAMN COc1ccc(CN[C@@H]2CCCc3c2cnn3C(C)(C)C)cc1C#N ZINC000076042771 563921356 /nfs/dbraw/zinc/92/13/56/563921356.db2.gz AFGWYVRYETVCTL-QGZVFWFLSA-N 0 1 338.455 3.686 50 30 EHEAMN Cc1ccc2nc(S[C@@H](C)C(=O)Nc3ccccc3C#N)[nH]c2c1 ZINC000006908922 564101159 /nfs/dbraw/zinc/10/11/59/564101159.db2.gz HTFRVEUSWQHMPD-LBPRGKRZSA-N 0 1 336.420 3.862 50 30 EHEAMN C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000071794637 564111125 /nfs/dbraw/zinc/11/11/25/564111125.db2.gz QULJVZNDHNSSMN-CQSZACIVSA-N 0 1 344.484 3.685 50 30 EHEAMN COc1ccc(-c2cc(-c3ccsc3)c(C#N)c(=O)[nH]2)cc1OC ZINC000013920404 564112125 /nfs/dbraw/zinc/11/21/25/564112125.db2.gz HRCQOTHCEQPVQO-UHFFFAOYSA-N 0 1 338.388 3.659 50 30 EHEAMN N#Cc1cccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000027222939 564119170 /nfs/dbraw/zinc/11/91/70/564119170.db2.gz XGVDTCWOLUMELI-OAQYLSRUSA-N 0 1 342.446 3.970 50 30 EHEAMN CCc1n[nH]c(=S)n1N=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000252621988 564122873 /nfs/dbraw/zinc/12/28/73/564122873.db2.gz NLYFRXIWCBQJDO-UHFFFAOYSA-N 0 1 343.368 3.553 50 30 EHEAMN C=CCN(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000195571322 564123903 /nfs/dbraw/zinc/12/39/03/564123903.db2.gz QZFDAUGRYHUDJB-DOTOQJQBSA-N 0 1 335.879 3.550 50 30 EHEAMN C=CCN(C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000195571322 564123904 /nfs/dbraw/zinc/12/39/04/564123904.db2.gz QZFDAUGRYHUDJB-DOTOQJQBSA-N 0 1 335.879 3.550 50 30 EHEAMN COc1ccc2c(ccn2CCC(=O)Nc2nc(C(C)C)n[nH]2)c1 ZINC000095475028 564141400 /nfs/dbraw/zinc/14/14/00/564141400.db2.gz PYKJMYCUUCSEOB-UHFFFAOYSA-N 0 1 327.388 3.570 50 30 EHEAMN COc1ccc2c(ccn2CCC(=O)Nc2n[nH]c(C(C)C)n2)c1 ZINC000095475028 564141401 /nfs/dbraw/zinc/14/14/01/564141401.db2.gz PYKJMYCUUCSEOB-UHFFFAOYSA-N 0 1 327.388 3.570 50 30 EHEAMN C/C(=N\N=C1\NC(=O)C(Cc2cccc(C)c2)S1)c1ccccc1 ZINC000004159995 210135428 /nfs/dbraw/zinc/13/54/28/210135428.db2.gz WQPWAFWEONYKHV-JPOGYNCRSA-N 0 1 337.448 3.549 50 30 EHEAMN C=CCOc1ccc(CN[C@@H]2CCCc3c2cnn3C)cc1Cl ZINC000066972355 215099703 /nfs/dbraw/zinc/09/97/03/215099703.db2.gz VZCUOZFMCQCSNH-MRXNPFEDSA-N 0 1 331.847 3.806 50 30 EHEAMN CC[C@@H](OC)C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000068723252 215329427 /nfs/dbraw/zinc/32/94/27/215329427.db2.gz IRAYTZPOAQUIAX-MWLCHTKSSA-N 0 1 342.342 3.916 50 30 EHEAMN N#CC(C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)c1ccccn1 ZINC000230101393 242230735 /nfs/dbraw/zinc/23/07/35/242230735.db2.gz WPFTXERAYGFMQS-KKUMJFAQSA-N 0 1 341.208 3.824 50 30 EHEAMN O=c1[nH]c2ccccc2nc1C(=NNc1ccccc1)c1ccccc1 ZINC000009011747 211031005 /nfs/dbraw/zinc/03/10/05/211031005.db2.gz RNBMLKHCKWYXSV-NCELDCMTSA-N 0 1 340.386 3.788 50 30 EHEAMN CC1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000004902072 210317511 /nfs/dbraw/zinc/31/75/11/210317511.db2.gz OPKYFZMKAXOIAK-BDVIWPHNSA-N 0 1 341.411 3.680 50 30 EHEAMN C=CC[N@H+](Cc1ccc(OC)c(C(=O)[O-])c1)Cc1ccccc1C ZINC000055088971 258014755 /nfs/dbraw/zinc/01/47/55/258014755.db2.gz KBOSVDUUWFFHCH-UHFFFAOYSA-N 0 1 325.408 3.890 50 30 EHEAMN CN(C)CCO/N=C(/C=C\c1ccc(O)cc1)c1ccccc1F ZINC000004791639 521793363 /nfs/dbraw/zinc/79/33/63/521793363.db2.gz VAIOZOCLKVMIMN-VJEYCFHASA-N 0 1 328.387 3.527 50 30 EHEAMN O=C(COc1ccc2c(c1)CCC2)Nc1nc(-c2ccccc2)n[nH]1 ZINC000025154449 527587375 /nfs/dbraw/zinc/58/73/75/527587375.db2.gz VABPMXNJLMPQNR-UHFFFAOYSA-N 0 1 334.379 3.627 50 30 EHEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCC#N ZINC000005201120 564000557 /nfs/dbraw/zinc/00/05/57/564000557.db2.gz MRKQBLMHPUMZCC-YBFXNURJSA-N 0 1 338.392 3.653 50 30 EHEAMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCC#N ZINC000005201120 564000558 /nfs/dbraw/zinc/00/05/58/564000558.db2.gz MRKQBLMHPUMZCC-YBFXNURJSA-N 0 1 338.392 3.653 50 30 EHEAMN Cc1nn(-c2ccccc2)c(C)c1C=NNc1nc2ccccc2[nH]1 ZINC000005455813 564004355 /nfs/dbraw/zinc/00/43/55/564004355.db2.gz ZLHIBKOWMNNATL-UDWIEESQSA-N 0 1 330.395 3.811 50 30 EHEAMN C[C@@H]1CCc2sc(C(=O)Nc3nc(-c4ccccn4)n[nH]3)cc2C1 ZINC000047343222 564026140 /nfs/dbraw/zinc/02/61/40/564026140.db2.gz XPVUEHTYJXHWIG-SNVBAGLBSA-N 0 1 339.424 3.689 50 30 EHEAMN c1ccc2nc(N=NC3CCN(Cc4cccnc4)CC3)ccc2c1 ZINC000063356151 564057250 /nfs/dbraw/zinc/05/72/50/564057250.db2.gz HVSYHRXIZCLYQR-UHFFFAOYSA-N 0 1 331.423 3.694 50 30 EHEAMN Cc1ccc(-c2n[nH]c(NC(=O)COc3ccccc3F)n2)cc1 ZINC000012932538 564078901 /nfs/dbraw/zinc/07/89/01/564078901.db2.gz OMTHDEWXQQCVEB-UHFFFAOYSA-N 0 1 326.331 3.586 50 30 EHEAMN COc1ccc(-c2cc(-c3ccccc3)[nH]c(=O)c2C#N)cc1OC ZINC000006470435 564089406 /nfs/dbraw/zinc/08/94/06/564089406.db2.gz UTOLFOLCKSSKQQ-UHFFFAOYSA-N 0 1 332.359 3.598 50 30 EHEAMN COc1ccccc1CNCc1ccc(OC)c(OCCCC#N)c1 ZINC000064613236 564094518 /nfs/dbraw/zinc/09/45/18/564094518.db2.gz AMCRKACTZAYKQB-UHFFFAOYSA-N 0 1 340.423 3.676 50 30 EHEAMN Cn1c2ccccc2nc1C(C#N)C(=O)Cc1c(F)cccc1Cl ZINC000006651067 564095438 /nfs/dbraw/zinc/09/54/38/564095438.db2.gz GXMSSXCQQHSHBU-GFCCVEGCSA-N 0 1 341.773 3.785 50 30 EHEAMN CC(C)Oc1ncccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000225469913 564135026 /nfs/dbraw/zinc/13/50/26/564135026.db2.gz RIYQBAAGDNBZHR-ZDUSSCGKSA-N 0 1 349.312 3.773 50 30 EHEAMN CC(C)Oc1ncccc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000225469913 564135027 /nfs/dbraw/zinc/13/50/27/564135027.db2.gz RIYQBAAGDNBZHR-ZDUSSCGKSA-N 0 1 349.312 3.773 50 30 EHEAMN N#CC(C(=O)[C@H]1C[C@@H]1c1ccccc1Br)c1ccccn1 ZINC000071850170 564175978 /nfs/dbraw/zinc/17/59/78/564175978.db2.gz QLVDARAVZQQIMR-RDBSUJKOSA-N 0 1 341.208 3.824 50 30 EHEAMN C=C(C)COc1ccccc1C(=O)N(C)Cc1cc(C2CC2)[nH]n1 ZINC000055327979 214307805 /nfs/dbraw/zinc/30/78/05/214307805.db2.gz YDTDNDKIZHRURG-UHFFFAOYSA-N 0 1 325.412 3.514 50 30 EHEAMN CCCCCCCOc1ccc(/C=N/N=C2\NC(=O)C(C)S2)cc1 ZINC000097967900 219065820 /nfs/dbraw/zinc/06/58/20/219065820.db2.gz ZRHYXKCBTZHXRL-NFECSFHCSA-N 0 1 347.484 3.977 50 30 EHEAMN C=CCn1c(CN2CCC3(CCOCC3)CC2)nc2ccccc21 ZINC000072128246 216019786 /nfs/dbraw/zinc/01/97/86/216019786.db2.gz BFILOFJFNLCGFG-UHFFFAOYSA-N 0 1 325.456 3.615 50 30 EHEAMN N#Cc1c(CSc2nc(-c3ccccc3)n[nH]2)cn2ccccc12 ZINC000011747181 211243856 /nfs/dbraw/zinc/24/38/56/211243856.db2.gz SOORDSYKVOZHDY-UHFFFAOYSA-N 0 1 331.404 3.888 50 30 EHEAMN COc1ccc(C=NN=c2cc(C)[nH]c(NCc3ccccc3)n2)cc1 ZINC000004857458 523444734 /nfs/dbraw/zinc/44/47/34/523444734.db2.gz LYJFTOOAMHSMSB-HYARGMPZSA-N 0 1 347.422 3.852 50 30 EHEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(OC)cc2)cc1 ZINC000001306204 563383156 /nfs/dbraw/zinc/38/31/56/563383156.db2.gz DRVVCGNBZDZICF-WOJGMQOQSA-N 0 1 340.408 3.507 50 30 EHEAMN CN(C)c1ccc(CN=Nc2nnc(Cl)c3ccccc32)cc1 ZINC000017145599 563838439 /nfs/dbraw/zinc/83/84/39/563838439.db2.gz UGFCDJZPRCQLNE-YBFXNURJSA-N 0 1 325.803 3.795 50 30 EHEAMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1c1cccs1 ZINC000025424029 564054352 /nfs/dbraw/zinc/05/43/52/564054352.db2.gz GZIGGMKMSKTHPD-XJKSGUPXSA-N 0 1 325.437 3.784 50 30 EHEAMN COc1ccccc1-c1n[nH]c(=S)n1N=Cc1ccccc1F ZINC000005911688 564093384 /nfs/dbraw/zinc/09/33/84/564093384.db2.gz IVGYOFIRZGALON-VCHYOVAHSA-N 0 1 328.372 3.638 50 30 EHEAMN CCCCOc1ccccc1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000252477671 564119091 /nfs/dbraw/zinc/11/90/91/564119091.db2.gz STAPSVSPCYYWST-UHFFFAOYSA-N 0 1 344.362 3.647 50 30 EHEAMN Cc1cccc(-c2n[nH]cc2CNCC(=O)Nc2cccc(F)c2)c1 ZINC000328591262 564136707 /nfs/dbraw/zinc/13/67/07/564136707.db2.gz PSGCZZMSVQKDEG-UHFFFAOYSA-N 0 1 338.386 3.902 50 30 EHEAMN N#Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000002662247 564152081 /nfs/dbraw/zinc/15/20/81/564152081.db2.gz VUJNOJUCXDCTGH-UHFFFAOYSA-N 0 1 327.192 3.666 50 30 EHEAMN COc1cc(/C=C2/CSc3ccccc3C2=O)cc([N+](=O)[O-])c1O ZINC000097993458 219066819 /nfs/dbraw/zinc/06/68/19/219066819.db2.gz BZIJOQYLHQBHKO-WDZFZDKYSA-N 0 1 343.360 3.681 50 30 EHEAMN C[C@H](c1nnc[nH]1)n1cnc(-c2ccccc2)c1-c1cccc(C#N)c1 ZINC000067757708 215206810 /nfs/dbraw/zinc/20/68/10/215206810.db2.gz HAWIUKDCPPYBLN-CQSZACIVSA-N 0 1 340.390 3.816 50 30 EHEAMN CC(C)CN(CC#Cc1ccccc1)C(=O)c1nc2ccc(F)cc2[nH]1 ZINC000067803736 215216143 /nfs/dbraw/zinc/21/61/43/215216143.db2.gz FCORQLHZNFXKCG-UHFFFAOYSA-N 0 1 349.409 3.852 50 30 EHEAMN Cc1cc(C#N)cc(NC2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000225816400 242050801 /nfs/dbraw/zinc/05/08/01/242050801.db2.gz SYRZVPDIXOJTJY-UHFFFAOYSA-N 0 1 340.858 3.992 50 30 EHEAMN CC[C@H](OC)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000062681428 522845963 /nfs/dbraw/zinc/84/59/63/522845963.db2.gz LMUDHIBCXZTDBN-ZANVPECISA-N 0 1 336.363 3.690 50 30 EHEAMN Cc1cc(N=NCc2ccccc2F)nc(NCc2ccccc2)n1 ZINC000004811908 525043763 /nfs/dbraw/zinc/04/37/63/525043763.db2.gz SXUUAQGXPIPZIQ-LPYMAVHISA-N 0 1 335.386 3.982 50 30 EHEAMN Cc1ccc(OCCOc2ccc(C=Nc3nnc[nH]3)cc2)cc1C ZINC000004615589 525424367 /nfs/dbraw/zinc/42/43/67/525424367.db2.gz ULKYKGBDYHJZLO-UDWIEESQSA-N 0 1 336.395 3.630 50 30 EHEAMN Cc1ccc(CC2S/C(=N\N=C\c3cccs3)NC2=O)cc1C ZINC000005234028 564001373 /nfs/dbraw/zinc/00/13/73/564001373.db2.gz HWLXLMVCSAVNPG-ZNBBLSJYSA-N 0 1 343.477 3.529 50 30 EHEAMN C=CCC[C@@H](CN(C)Cc1cnccn1)Oc1ccnc2ccccc21 ZINC000072474122 564063854 /nfs/dbraw/zinc/06/38/54/564063854.db2.gz CCHYLICFKZYRSL-SFHVURJKSA-N 0 1 348.450 3.870 50 30 EHEAMN N#Cc1ccnc(N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)c1 ZINC000067818158 564134933 /nfs/dbraw/zinc/13/49/33/564134933.db2.gz UFNMBBOKWAXLOM-UHFFFAOYSA-N 0 1 343.434 3.651 50 30 EHEAMN CN(C(=O)CN1CCC[C@@H]1c1ccccc1)C1(C#N)CCCCC1 ZINC000008735121 564167155 /nfs/dbraw/zinc/16/71/55/564167155.db2.gz DVKOCPHAVKGXPU-GOSISDBHSA-N 0 1 325.456 3.508 50 30 EHEAMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(Cc2ccccc2)CC1 ZINC000003416598 210032593 /nfs/dbraw/zinc/03/25/93/210032593.db2.gz CQSZRWLIWGLSJM-QGZVFWFLSA-N 0 1 347.462 3.840 50 30 EHEAMN CN1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3ccc(Cl)s3)c12 ZINC000067641777 215172128 /nfs/dbraw/zinc/17/21/28/215172128.db2.gz QKJMLHPKTWMIFB-GZMMTYOYSA-N 0 1 330.844 3.609 50 30 EHEAMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1ccccc1Cl ZINC000103504356 219309137 /nfs/dbraw/zinc/30/91/37/219309137.db2.gz KAFJSDYBYKBZDC-NSHDSACASA-N 0 1 333.174 3.955 50 30 EHEAMN O=C1CCCC2=Nc3ncnn3[C@H](c3c(Cl)cccc3Cl)C12 ZINC000012348207 211353771 /nfs/dbraw/zinc/35/37/71/211353771.db2.gz ZNYJUINOLRKDLL-CQSZACIVSA-N 0 1 335.194 3.607 50 30 EHEAMN C=CCN(CC=C)C(=O)[C@H](C)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000095349224 218284010 /nfs/dbraw/zinc/28/40/10/218284010.db2.gz SZYVQCGKZLOJPQ-KRWDZBQOSA-N 0 1 349.478 3.846 50 30 EHEAMN CCCCCCCCCNC(=O)Cc1c(O)c2ccccc2[nH]c1=O ZINC000002288903 258049423 /nfs/dbraw/zinc/04/94/23/258049423.db2.gz AOVAUQVPMYFTOT-UHFFFAOYSA-N 0 1 344.455 3.643 50 30 EHEAMN Cc1csc(C(C#N)C(=O)c2cnn(-c3ccccc3Cl)c2)n1 ZINC000050205004 526427710 /nfs/dbraw/zinc/42/77/10/526427710.db2.gz YDJHTLHJDRGNNU-GFCCVEGCSA-N 0 1 342.811 3.781 50 30 EHEAMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1c1cccs1 ZINC000025424024 564054346 /nfs/dbraw/zinc/05/43/46/564054346.db2.gz GZIGGMKMSKTHPD-CZUORRHYSA-N 0 1 325.437 3.784 50 30 EHEAMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H]1c1cccs1 ZINC000036426292 564101302 /nfs/dbraw/zinc/10/13/02/564101302.db2.gz GZIGGMKMSKTHPD-CJNGLKHVSA-N 0 1 325.437 3.784 50 30 EHEAMN O=[N+]([O-])c1cccc(C=Nn2c(-c3ccccc3F)n[nH]c2=S)c1 ZINC000005998627 564113011 /nfs/dbraw/zinc/11/30/11/564113011.db2.gz YCAWBKRIUWEUJR-RQZCQDPDSA-N 0 1 343.343 3.537 50 30 EHEAMN CC(=O)Nc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)ccc1F ZINC000076094870 564115741 /nfs/dbraw/zinc/11/57/41/564115741.db2.gz KZFMNPCNSOYVGG-GFCCVEGCSA-N 0 1 345.399 3.854 50 30 EHEAMN C[C@@H](CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1 ZINC000002311181 564132201 /nfs/dbraw/zinc/13/22/01/564132201.db2.gz SUAUDWRFVCXSIC-QMMMGPOBSA-N 0 1 331.231 3.739 50 30 EHEAMN N#C[C@H](C(=O)c1ccc2nsnc2c1)c1nc2ccccc2s1 ZINC000390834011 564138846 /nfs/dbraw/zinc/13/88/46/564138846.db2.gz QHRUXSBQSIIEBD-SNVBAGLBSA-N 0 1 336.401 3.791 50 30 EHEAMN N#CC(C(=O)c1ccc2nsnc2c1)c1nc2ccccc2s1 ZINC000390834011 564138847 /nfs/dbraw/zinc/13/88/47/564138847.db2.gz QHRUXSBQSIIEBD-SNVBAGLBSA-N 0 1 336.401 3.791 50 30 EHEAMN N#CC(C(=O)c1ccc2c(c1)CCC(=O)N2)c1nc2ccccc2s1 ZINC000041501623 564173936 /nfs/dbraw/zinc/17/39/36/564173936.db2.gz CAEMIJXXVNZZLR-ZDUSSCGKSA-N 0 1 347.399 3.671 50 30 EHEAMN CCCC[C@H](CC)CN1C=C(O)C(c2nc3ccc(C)cc3[nH]2)C1=N ZINC000005182903 1033410031 /nfs/dbraw/zinc/41/00/31/1033410031.db2.gz JRBWPQRDKXMLGC-AWEZNQCLSA-N 0 1 340.471 3.600 50 30 EHEAMN CC1S/C(=N/N=C/c2c3ccccc3cc3ccccc32)NC1=O ZINC000004567452 210223362 /nfs/dbraw/zinc/22/33/62/210223362.db2.gz WFFWYBSBNIEHHX-ZICWZVMQSA-N 0 1 333.416 3.934 50 30 EHEAMN N#CCSc1ccccc1NC(=O)CN1CC[C@H]2CCCC[C@@H]21 ZINC000072596753 216279738 /nfs/dbraw/zinc/27/97/38/216279738.db2.gz MZOSAABZAPMSDI-ZBFHGGJFSA-N 0 1 329.469 3.505 50 30 EHEAMN C#Cc1ccc(CN[C@@H](C)c2cnc(-c3ccncc3)nc2C)cc1 ZINC000020537821 212145027 /nfs/dbraw/zinc/14/50/27/212145027.db2.gz UMXRMBMUHYZIDJ-HNNXBMFYSA-N 0 1 328.419 3.679 50 30 EHEAMN Cc1ccsc1-c1n[nH]c(NC(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000095401908 218336647 /nfs/dbraw/zinc/33/66/47/218336647.db2.gz TUBWAOJRNQYVTP-UHFFFAOYSA-N 0 1 343.368 3.581 50 30 EHEAMN Fc1cccc(Cl)c1C=NNc1nn2cnnc2c2ccccc21 ZINC000004897706 210316355 /nfs/dbraw/zinc/31/63/55/210316355.db2.gz IBUCKGXNJZBCMA-UFWORHAWSA-N 0 1 340.749 3.516 50 30 EHEAMN C=CCN(CCn1c2ccccc2oc1=O)Cc1ccc(C)s1 ZINC000055341634 518775349 /nfs/dbraw/zinc/77/53/49/518775349.db2.gz SCPGPWSLZQOXJX-UHFFFAOYSA-N 0 1 328.437 3.653 50 30 EHEAMN CC/C(=N\N=C1/SC(C)C(=O)N1Cc1ccco1)c1ccccc1 ZINC000004754751 520179475 /nfs/dbraw/zinc/17/94/75/520179475.db2.gz IOQGCFQJRDDVBG-LRKLCTCQSA-N 0 1 341.436 3.914 50 30 EHEAMN Cc1ccc(C(=N)NOC(=O)COc2ccc(C(C)(C)C)cc2)cc1 ZINC000005044383 525940904 /nfs/dbraw/zinc/94/09/04/525940904.db2.gz YFNLMEQCMUKTOJ-UHFFFAOYSA-N 0 1 340.423 3.535 50 30 EHEAMN CCOc1cc(C=Nn2c(=S)[nH]nc2C2CCCCC2)ccc1O ZINC000001300300 563382755 /nfs/dbraw/zinc/38/27/55/563382755.db2.gz DAIHDCGFPBGYBK-WOJGMQOQSA-N 0 1 346.456 3.975 50 30 EHEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc1OC ZINC000001308334 563383131 /nfs/dbraw/zinc/38/31/31/563383131.db2.gz DQZNQMXVSLTZME-WOJGMQOQSA-N 0 1 340.408 3.507 50 30 EHEAMN COc1ccc([C@@H]2c3c(C)n[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017945180 563846112 /nfs/dbraw/zinc/84/61/12/563846112.db2.gz WEUWOYRGEJPEHL-QGZVFWFLSA-N 0 1 337.423 3.927 50 30 EHEAMN COc1csc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000177605183 563916578 /nfs/dbraw/zinc/91/65/78/563916578.db2.gz QRAMRUDODRZNCL-JTQLQIEISA-N 0 1 347.346 3.992 50 30 EHEAMN COc1csc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000177605183 563916579 /nfs/dbraw/zinc/91/65/79/563916579.db2.gz QRAMRUDODRZNCL-JTQLQIEISA-N 0 1 347.346 3.992 50 30 EHEAMN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000058265752 563941192 /nfs/dbraw/zinc/94/11/92/563941192.db2.gz CQOKQRVPBUIXLN-SNVBAGLBSA-N 0 1 343.774 3.576 50 30 EHEAMN CC[C@@H]1CN(Cc2ccc(C#N)cc2)CCC(=O)N1Cc1ccccc1 ZINC000071754695 563983002 /nfs/dbraw/zinc/98/30/02/563983002.db2.gz KSIRJWWMLUZTCQ-OAQYLSRUSA-N 0 1 347.462 3.571 50 30 EHEAMN CC(C)c1ccc(C#N)c(N[C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000534633610 563996681 /nfs/dbraw/zinc/99/66/81/563996681.db2.gz NNQSTKMKFFPUPF-SFHVURJKSA-N 0 1 335.455 3.548 50 30 EHEAMN N#Cc1ccccc1S(=O)(=O)Nc1cccc(OC2CCCC2)c1 ZINC000028260101 564010377 /nfs/dbraw/zinc/01/03/77/564010377.db2.gz UDNRNBSTPFNSQJ-UHFFFAOYSA-N 0 1 342.420 3.680 50 30 EHEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2OC)cc1 ZINC000005910704 564093348 /nfs/dbraw/zinc/09/33/48/564093348.db2.gz RYBLJGXTIOFIGY-WOJGMQOQSA-N 0 1 340.408 3.507 50 30 EHEAMN COc1ccccc1-c1n[nH]c(=S)n1N=Cc1cccc(F)c1 ZINC000005911685 564093376 /nfs/dbraw/zinc/09/33/76/564093376.db2.gz PQECEHDCCFHKSC-VCHYOVAHSA-N 0 1 328.372 3.638 50 30 EHEAMN CCOc1ccc(C(C)=NN=c2[nH]n3cnnc3c3ccccc32)cc1 ZINC000006784011 564097610 /nfs/dbraw/zinc/09/76/10/564097610.db2.gz QTRDIBOKXFPMPU-FYJGNVAPSA-N 0 1 346.394 3.512 50 30 EHEAMN CC(C)(NCC(=O)NC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000089761845 564113572 /nfs/dbraw/zinc/11/35/72/564113572.db2.gz GYDRKCBALTWAIR-UHFFFAOYSA-N 0 1 333.863 3.507 50 30 EHEAMN CN(C)[C@H](CNc1oc(-c2cccs2)nc1C#N)c1ccco1 ZINC000027562380 564132183 /nfs/dbraw/zinc/13/21/83/564132183.db2.gz UAVNEEYMCJCREM-GFCCVEGCSA-N 0 1 328.397 3.583 50 30 EHEAMN COc1ccc2c(ccn2CCC(=O)Nc2n[nH]c(CC(C)C)n2)c1 ZINC000095473661 564141305 /nfs/dbraw/zinc/14/13/05/564141305.db2.gz AEXNIYXVWPDKFF-UHFFFAOYSA-N 0 1 341.415 3.645 50 30 EHEAMN COc1ccc2c(ccn2CCC(=O)Nc2nc(CC(C)C)n[nH]2)c1 ZINC000095473661 564141306 /nfs/dbraw/zinc/14/13/06/564141306.db2.gz AEXNIYXVWPDKFF-UHFFFAOYSA-N 0 1 341.415 3.645 50 30 EHEAMN CCO[C@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000069846651 564172510 /nfs/dbraw/zinc/17/25/10/564172510.db2.gz RJPHRNBNGAHWLJ-ZJUUUORDSA-N 0 1 336.363 3.690 50 30 EHEAMN CC1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2)C1=O ZINC000036093465 213062982 /nfs/dbraw/zinc/06/29/82/213062982.db2.gz VSPVHAUHHAFJFU-GAXXODKWSA-N 0 1 329.450 3.602 50 30 EHEAMN CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccccc1Cl ZINC000000067036 209397936 /nfs/dbraw/zinc/39/79/36/209397936.db2.gz PWCCMTSEFZVAAH-OAHLLOKOSA-N 0 1 328.803 3.590 50 30 EHEAMN Cc1ccccc1SC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000072432023 216225857 /nfs/dbraw/zinc/22/58/57/216225857.db2.gz AGQMKEXMHMXTKU-UHFFFAOYSA-N 0 1 325.481 3.962 50 30 EHEAMN COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1OC ZINC000012461943 211388963 /nfs/dbraw/zinc/38/89/63/211388963.db2.gz QXOQWTXWEZIZOZ-UHFFFAOYSA-N 0 1 346.386 3.906 50 30 biogenic,in-vitro EHEAMN COC(=O)c1ccc(C=Nn2c(=S)[nH]nc2C2CCCCC2)cc1 ZINC000005910223 563553946 /nfs/dbraw/zinc/55/39/46/563553946.db2.gz GWLMRJCFWZIOJC-WOJGMQOQSA-N 0 1 344.440 3.657 50 30 EHEAMN Cc1ccc(-c2cc(-c3ccc(O)c(Cl)c3)c(C#N)c(N)n2)nc1 ZINC000071405838 563933895 /nfs/dbraw/zinc/93/38/95/563933895.db2.gz XKHUPQLNFPIMRY-UHFFFAOYSA-N 0 1 336.782 3.932 50 30 EHEAMN C=CCOc1ccc(-n2c(C)cc(C=C3NC(=O)NC3=O)c2C)cc1 ZINC000033441724 563992126 /nfs/dbraw/zinc/99/21/26/563992126.db2.gz PISARRQRCZZTTC-GZTJUZNOSA-N 0 1 337.379 3.680 50 30 EHEAMN C=CCn1c(=O)c2c(-c3ccc(OC)cc3)csc2[nH]c1=S ZINC000000137214 564074492 /nfs/dbraw/zinc/07/44/92/564074492.db2.gz UHWZIWBLIDSJDF-UHFFFAOYSA-N 0 1 330.434 3.982 50 30 EHEAMN Cc1ccc2nc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)[nH]c2c1 ZINC000006908932 564101165 /nfs/dbraw/zinc/10/11/65/564101165.db2.gz XBSSNVOSJSLTMD-GFCCVEGCSA-N 0 1 336.420 3.862 50 30 EHEAMN Cc1nc([C@@H]2CCCCN2C(=O)Nc2cccc(C(C)(F)F)c2)n[nH]1 ZINC000328586450 564136518 /nfs/dbraw/zinc/13/65/18/564136518.db2.gz ZBMBCFJSELKOJF-AWEZNQCLSA-N 0 1 349.385 3.998 50 30 EHEAMN N#Cc1c(=O)[nH]c(SCCOc2ccccc2)nc1-c1ccccc1 ZINC000007995165 564162026 /nfs/dbraw/zinc/16/20/26/564162026.db2.gz GHUXXGVRVAFXBW-UHFFFAOYSA-N 0 1 349.415 3.892 50 30 EHEAMN Cc1cccc(NC(=O)C(C#N)C(=O)c2ccc(F)cc2Cl)c1 ZINC000103504050 219308184 /nfs/dbraw/zinc/30/81/84/219308184.db2.gz OMXSWNJENWVGOQ-CQSZACIVSA-N 0 1 330.746 3.749 50 30 EHEAMN CCOc1ccc(C(=O)/C=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 ZINC000035601155 213041750 /nfs/dbraw/zinc/04/17/50/213041750.db2.gz AWJHYOGPTCHBKW-RUDMXATFSA-N 0 1 343.335 3.604 50 30 EHEAMN C[C@@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccco2)O3)C1 ZINC000020518113 212142382 /nfs/dbraw/zinc/14/23/82/212142382.db2.gz QZDSHNHVLIJZHD-CCOVPTLTSA-N 0 1 339.391 3.833 50 30 aggregator,biogenic EHEAMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000011708814 211239522 /nfs/dbraw/zinc/23/95/22/211239522.db2.gz WEZOCWYHMKSSFQ-LSDHHAIUSA-N 0 1 337.423 3.635 50 30 EHEAMN CN(C)c1c(Cl)cccc1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000328595974 258043159 /nfs/dbraw/zinc/04/31/59/258043159.db2.gz MFCSDQFHOUUJJR-UHFFFAOYSA-N 0 1 347.850 3.554 50 30 EHEAMN Cc1ccc2[nH]c(C3CCN(Cc4cc(C#N)ccn4)CC3)nc2c1 ZINC000299775634 258085826 /nfs/dbraw/zinc/08/58/26/258085826.db2.gz GFBHVRXIDWUMLU-UHFFFAOYSA-N 0 1 331.423 3.518 50 30 EHEAMN COCC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000041538072 522790521 /nfs/dbraw/zinc/79/05/21/522790521.db2.gz DKMOVRPGVCFIHH-SNVBAGLBSA-N 0 1 341.219 3.940 50 30 EHEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(F)c2)cc1 ZINC000001242937 563381034 /nfs/dbraw/zinc/38/10/34/563381034.db2.gz PSHWKEUYQAGHGE-VCHYOVAHSA-N 0 1 328.372 3.638 50 30 EHEAMN N#CC(C(=O)Cc1ccccc1)c1nc2ccccc2n1C(F)F ZINC000058174497 563938936 /nfs/dbraw/zinc/93/89/36/563938936.db2.gz FCNJSZRZHAEMJK-ZDUSSCGKSA-N 0 1 325.318 3.850 50 30 EHEAMN Fc1cccc(Cl)c1C=NNc1nnc2c3ccccc3[nH]c2n1 ZINC000006243914 563981187 /nfs/dbraw/zinc/98/11/87/563981187.db2.gz JTVMHROZTHNLTD-UFWORHAWSA-N 0 1 340.749 3.745 50 30 EHEAMN CC[C@H]1CN(Cc2cccc(C#N)c2)CCC(=O)N1Cc1ccccc1 ZINC000071750722 563982990 /nfs/dbraw/zinc/98/29/90/563982990.db2.gz OZNWIZAJNDMVEG-NRFANRHFSA-N 0 1 347.462 3.571 50 30 EHEAMN Cc1ccc(-c2n[nH]c(NC(=O)COc3cccc(F)c3)n2)cc1 ZINC000012934184 564079126 /nfs/dbraw/zinc/07/91/26/564079126.db2.gz KDGXJRGPMDXIPV-UHFFFAOYSA-N 0 1 326.331 3.586 50 30 EHEAMN N#Cc1ccc(F)c(CN2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC000089878675 564114646 /nfs/dbraw/zinc/11/46/46/564114646.db2.gz RPYPKFPUMMEZMQ-QGZVFWFLSA-N 0 1 334.398 3.712 50 30 EHEAMN CCCCCCOc1ccc(C=NN=C2NC(=O)C(C)S2)cc1 ZINC000252678300 564124874 /nfs/dbraw/zinc/12/48/74/564124874.db2.gz DISRUNSTYOJZCY-CYBMUJFWSA-N 0 1 333.457 3.587 50 30 EHEAMN [O-]C(=[NH+][C@@H]1CCc2cc(Cl)ccc21)N1CCC(c2cnc[nH]2)CC1 ZINC000328587546 564136551 /nfs/dbraw/zinc/13/65/51/564136551.db2.gz AOMMZYJEDVEINQ-MRXNPFEDSA-N 0 1 344.846 3.844 50 30 EHEAMN CCc1nccn1[C@H]1CCCN(C([O-])=[NH+][C@@H]2C[C@H]2c2ccccc2)C1 ZINC000330298995 564138374 /nfs/dbraw/zinc/13/83/74/564138374.db2.gz LZGNKFFSDWJMCH-OKZBNKHCSA-N 0 1 338.455 3.553 50 30 EHEAMN COc1cccc2c1ccn2CCC(=O)Nc1n[nH]c(CC(C)C)n1 ZINC000095476818 564141428 /nfs/dbraw/zinc/14/14/28/564141428.db2.gz NNMXUSNKTXVIGH-UHFFFAOYSA-N 0 1 341.415 3.645 50 30 EHEAMN COc1cccc2c1ccn2CCC(=O)Nc1nc(CC(C)C)n[nH]1 ZINC000095476818 564141429 /nfs/dbraw/zinc/14/14/29/564141429.db2.gz NNMXUSNKTXVIGH-UHFFFAOYSA-N 0 1 341.415 3.645 50 30 EHEAMN N#Cc1c(Cl)nsc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000076685457 564176495 /nfs/dbraw/zinc/17/64/95/564176495.db2.gz XGGWTLLXHUJKLV-ZDUSSCGKSA-N 0 1 332.860 3.745 50 30 EHEAMN O=[N+]([O-])c1ccc(Cl)c(C=NNc2nncc3ccccc32)c1 ZINC000004718822 210258551 /nfs/dbraw/zinc/25/85/51/210258551.db2.gz GFVYLTALLPMLKH-GIJQJNRQSA-N 0 1 327.731 3.637 50 30 EHEAMN CN1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3cc4ccccc4o3)c12 ZINC000067679115 215183510 /nfs/dbraw/zinc/18/35/10/215183510.db2.gz RRGCXMHALXNJSD-SWLSCSKDSA-N 0 1 330.391 3.640 50 30 EHEAMN O=C(Cc1ccc2c(c1)CCCC2)Nc1nc(-c2ccccn2)n[nH]1 ZINC000040154818 213274587 /nfs/dbraw/zinc/27/45/87/213274587.db2.gz ZSGXUQJYCSSLAN-UHFFFAOYSA-N 0 1 333.395 3.576 50 30 EHEAMN C=CCc1ccccc1OCCN(C)Cc1cnc2ccccc2n1 ZINC000055309127 519142372 /nfs/dbraw/zinc/14/23/72/519142372.db2.gz NGRQGODRTRPBQS-UHFFFAOYSA-N 0 1 333.435 3.869 50 30 EHEAMN O=C(COc1cccc2ccccc21)Nc1nc(-c2ccco2)n[nH]1 ZINC000012873232 527588205 /nfs/dbraw/zinc/58/82/05/527588205.db2.gz GVPJRTNKCMTUQM-UHFFFAOYSA-N 0 1 334.335 3.885 50 30 EHEAMN CCOc1cccc(C=Nn2c(=S)[nH]nc2C2CCCCC2)c1O ZINC000001244960 563381321 /nfs/dbraw/zinc/38/13/21/563381321.db2.gz XXCXUOWYAHMPLX-WOJGMQOQSA-N 0 1 346.456 3.975 50 30 EHEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)c(OC)c1 ZINC000001307637 563383162 /nfs/dbraw/zinc/38/31/62/563383162.db2.gz KXQMXSYNOAAIEG-WOJGMQOQSA-N 0 1 340.408 3.507 50 30 EHEAMN Cc1n[nH]c(C)c1-c1cc(-c2ccc(O)c(Cl)c2)c(C#N)c(N)n1 ZINC000071523900 563935732 /nfs/dbraw/zinc/93/57/32/563935732.db2.gz QBZQKQLFZBGIBT-UHFFFAOYSA-N 0 1 339.786 3.568 50 30 EHEAMN CS(=O)(=O)c1ccc(N=NC2c3ccccc3-c3ccccc32)cc1 ZINC000047437314 564026297 /nfs/dbraw/zinc/02/62/97/564026297.db2.gz LGCREUDPCZKALZ-UHFFFAOYSA-N 0 1 348.427 3.935 50 30 EHEAMN N#CC(C(=O)C1=Cc2ccccc2OC1)c1ccc(C(F)(F)F)cn1 ZINC000065519325 564106832 /nfs/dbraw/zinc/10/68/32/564106832.db2.gz JZXKLPKMJHYVKI-CQSZACIVSA-N 0 1 344.292 3.753 50 30 EHEAMN CCCCCCOc1ccc(C=NN=C2NC(=O)C(C)S2)cc1 ZINC000252678301 564124876 /nfs/dbraw/zinc/12/48/76/564124876.db2.gz DISRUNSTYOJZCY-ZDUSSCGKSA-N 0 1 333.457 3.587 50 30 EHEAMN CCOc1nc2sc3c([nH]cnc3=O)c2c(-c2ccccc2)c1C#N ZINC000008706666 564134078 /nfs/dbraw/zinc/13/40/78/564134078.db2.gz UGODGHGGQBLSHL-UHFFFAOYSA-N 0 1 348.387 3.882 50 30 EHEAMN Cc1nc([C@H]2CCCCN2C(=O)Nc2cccc(C(C)(F)F)c2)n[nH]1 ZINC000328586451 564136510 /nfs/dbraw/zinc/13/65/10/564136510.db2.gz ZBMBCFJSELKOJF-CQSZACIVSA-N 0 1 349.385 3.998 50 30 EHEAMN CCOc1ccc(/C=C/C(=O)c2cc(NC(C)=O)ccc2O)cc1 ZINC000032502239 564161555 /nfs/dbraw/zinc/16/15/55/564161555.db2.gz FYVSUZNTWQEJRD-UXBLZVDNSA-N 0 1 325.364 3.645 50 30 EHEAMN C=CCn1cc(CN[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)c(C)n1 ZINC000055245218 214295087 /nfs/dbraw/zinc/29/50/87/214295087.db2.gz PJQNSEFQZUACPA-GOSISDBHSA-N 0 1 341.455 3.778 50 30 EHEAMN C=CCOc1c(Cl)cc(CN[C@@H](C)c2nnc[nH]2)cc1Cl ZINC000055401631 214318889 /nfs/dbraw/zinc/31/88/89/214318889.db2.gz RUXOIJHSYSLLKL-VIFPVBQESA-N 0 1 327.215 3.527 50 30 EHEAMN N#Cc1ccc(N2CC[C@H](N3CCC[C@@H]3c3cccs3)C2=O)cc1 ZINC000028746840 212634023 /nfs/dbraw/zinc/63/40/23/212634023.db2.gz SHGVJRQRDAJCIR-SJORKVTESA-N 0 1 337.448 3.562 50 30 EHEAMN C/C(=N\N=C1/NC(=O)C(Cc2ccccc2)S1)c1ccc(C)cc1 ZINC000011689722 211233341 /nfs/dbraw/zinc/23/33/41/211233341.db2.gz ZRIAOIYEYUFHNE-JPOGYNCRSA-N 0 1 337.448 3.549 50 30 EHEAMN O=[N+]([O-])c1ccc(C=Nn2c(=S)[nH]nc2C2CCCCC2)cc1 ZINC000001298927 563382765 /nfs/dbraw/zinc/38/27/65/563382765.db2.gz LYBNVDYAZKAESB-MHWRWJLKSA-N 0 1 331.401 3.779 50 30 EHEAMN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccc(F)cc1F ZINC000032665022 563678250 /nfs/dbraw/zinc/67/82/50/563678250.db2.gz IZZGXYUDPSLEIG-SNVBAGLBSA-N 0 1 335.379 3.577 50 30 EHEAMN CSc1ccc(O[C@H](C)C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000096420352 563951565 /nfs/dbraw/zinc/95/15/65/563951565.db2.gz DSBFUYAEFFPESR-RISCZKNCSA-N 0 1 332.450 3.817 50 30 EHEAMN O=C(CCN1CCN(c2ccccc2F)CC1)Nc1cccc(F)c1 ZINC000082138137 563972644 /nfs/dbraw/zinc/97/26/44/563972644.db2.gz HJKFLDUOZMFTCS-UHFFFAOYSA-N 0 1 345.393 3.765 50 30 EHEAMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc(SC(F)F)cc1 ZINC000047342939 564026124 /nfs/dbraw/zinc/02/61/24/564026124.db2.gz SCWQEUGFCTTZAH-UHFFFAOYSA-N 0 1 347.350 3.818 50 30 EHEAMN CN(C)[C@@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccs1 ZINC000048374677 564031709 /nfs/dbraw/zinc/03/17/09/564031709.db2.gz MFZZPSXWVPGQMX-AWEZNQCLSA-N 0 1 348.859 3.698 50 30 EHEAMN C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](OC)c1ccnc2ccc(OC)cc21 ZINC000242648328 564088542 /nfs/dbraw/zinc/08/85/42/564088542.db2.gz QSOFUNXFUMLXCR-UGCQDJOBSA-N 0 1 338.451 3.827 50 30 EHEAMN CSc1cc(C(O)=C(C#N)c2nc3ccccc3[nH]2)ccc1F ZINC000155513398 564098447 /nfs/dbraw/zinc/09/84/47/564098447.db2.gz NMKUMAIOZFORIC-LLVKDONJSA-N 0 1 325.368 3.914 50 30 EHEAMN CC1S/C(=N\N=C\c2cccs2)N(Cc2ccc(F)cc2)C1=O ZINC000002352157 564132658 /nfs/dbraw/zinc/13/26/58/564132658.db2.gz OBAYXSPGGAXNFA-NOTPJJMNSA-N 0 1 347.440 3.741 50 30 EHEAMN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCc2ccccc21 ZINC000029484439 564153544 /nfs/dbraw/zinc/15/35/44/564153544.db2.gz AIZZTOTYMVQDLJ-GOSISDBHSA-N 0 1 339.826 3.769 50 30 EHEAMN N#CC(C(=O)c1ccc2c(c1)CCC(=O)N2)c1nc2ccccc2s1 ZINC000041501627 564173970 /nfs/dbraw/zinc/17/39/70/564173970.db2.gz CAEMIJXXVNZZLR-CYBMUJFWSA-N 0 1 347.399 3.671 50 30 EHEAMN Cc1sc2ncnc(NN=Cc3cccc([N+](=O)[O-])c3)c2c1C ZINC000004680271 210246354 /nfs/dbraw/zinc/24/63/54/210246354.db2.gz SFFIGDVQKRWQOT-CNHKJKLMSA-N 0 1 327.369 3.662 50 30 EHEAMN COc1cc(C=Nn2c(=S)[nH]nc2C2CCCCC2)ccc1O ZINC000001246179 209720986 /nfs/dbraw/zinc/72/09/86/209720986.db2.gz HHAYYRULDOKMGA-LICLKQGHSA-N 0 1 332.429 3.585 50 30 EHEAMN CC1S/C(=N/N=C/c2cccs2)N(Cc2ccc(F)cc2)C1=O ZINC000004952371 210337053 /nfs/dbraw/zinc/33/70/53/210337053.db2.gz OBAYXSPGGAXNFA-JVGDJSOHSA-N 0 1 347.440 3.741 50 30 EHEAMN CCCCOc1cccc(NN=C(C#N)C(=N)N2CCCCC2)c1 ZINC000002176614 258049392 /nfs/dbraw/zinc/04/93/92/258049392.db2.gz XAXVYJLEPZXXAU-KEIKGQSPSA-N 0 1 327.432 3.620 50 30 EHEAMN C=CCn1cc(CN(Cc2cccc(C)c2)C[C@H]2CCCO2)c(C)n1 ZINC000055100142 519276997 /nfs/dbraw/zinc/27/69/97/519276997.db2.gz LOVBLHMHRGJHHX-OAQYLSRUSA-N 0 1 339.483 3.867 50 30 EHEAMN CN(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2F)cc1 ZINC000005909607 563553969 /nfs/dbraw/zinc/55/39/69/563553969.db2.gz QVZFLCRUDCEQDK-YBFXNURJSA-N 0 1 341.415 3.695 50 30 EHEAMN Cc1ccccc1-c1n[nH]c(=S)n1N=Cc1cccc([N+](=O)[O-])c1 ZINC000005982055 563556717 /nfs/dbraw/zinc/55/67/17/563556717.db2.gz YLSXXMUAXUCMBA-LICLKQGHSA-N 0 1 339.380 3.707 50 30 EHEAMN C=CCO[C@@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000071803630 563922481 /nfs/dbraw/zinc/92/24/81/563922481.db2.gz DMMWVRGGFQXXCC-QWRGUYRKSA-N 0 1 348.374 3.856 50 30 EHEAMN CC[C@@H]1CN(Cc2cccc(C#N)c2)CCC(=O)N1Cc1ccccc1 ZINC000071750721 563983015 /nfs/dbraw/zinc/98/30/15/563983015.db2.gz OZNWIZAJNDMVEG-OAQYLSRUSA-N 0 1 347.462 3.571 50 30 EHEAMN N#Cc1ccccc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000074603 564001074 /nfs/dbraw/zinc/00/10/74/564001074.db2.gz XLXDRPBSMHFMEA-UHFFFAOYSA-N 0 1 327.192 3.666 50 30 EHEAMN Cc1ccc(CNCc2cc(C#N)cs2)c(OC[C@H]2CCOC2)c1 ZINC000088753286 564079873 /nfs/dbraw/zinc/07/98/73/564079873.db2.gz VZMDLRGXLGZVFC-HNNXBMFYSA-N 0 1 342.464 3.633 50 30 EHEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2F)cc1 ZINC000005910702 564093332 /nfs/dbraw/zinc/09/33/32/564093332.db2.gz XSARSQDYSDYKSV-VCHYOVAHSA-N 0 1 328.372 3.638 50 30 EHEAMN Cc1cc(S(=O)(=O)Nc2cc(C#N)ccc2NC2CC2)c(C)s1 ZINC000170619885 564110140 /nfs/dbraw/zinc/11/01/40/564110140.db2.gz SBXMUIQZPHHBPK-UHFFFAOYSA-N 0 1 347.465 3.612 50 30 EHEAMN C[C@H](CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1 ZINC000002311182 564132192 /nfs/dbraw/zinc/13/21/92/564132192.db2.gz SUAUDWRFVCXSIC-MRVPVSSYSA-N 0 1 331.231 3.739 50 30 EHEAMN N#CCCCOc1cccc(NC(=O)c2ccc(O)c(Cl)c2)c1 ZINC000080392855 564139557 /nfs/dbraw/zinc/13/95/57/564139557.db2.gz FIGOAGNJWMVZLA-UHFFFAOYSA-N 0 1 330.771 3.980 50 30 EHEAMN N#CC(C#N)[C@H](c1c(=O)[nH][nH]c1-c1ccccc1)c1ccc(F)cc1 ZINC000005773129 1042921559 /nfs/dbraw/zinc/92/15/59/1042921559.db2.gz RGKAXZTUMRVLPL-MRXNPFEDSA-N 0 1 332.338 3.717 50 30 EHEAMN Cc1ccc(C(=O)C(C=NN)=NNc2cc(Cl)cc(Cl)c2)cc1 ZINC000100134040 219092358 /nfs/dbraw/zinc/09/23/58/219092358.db2.gz PLSCUBIDNBPERS-NISSZXTISA-N 0 1 349.221 3.897 50 30 EHEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000102578439 219211386 /nfs/dbraw/zinc/21/13/86/219211386.db2.gz HKNUZWDKBQISCI-SXWSKBOKSA-N 0 1 348.185 3.703 50 30 EHEAMN Cc1cccc(/N=C2\NC(=O)C(Cc3ccc(C)c(Cl)c3)S2)n1 ZINC000012378225 211359982 /nfs/dbraw/zinc/35/99/82/211359982.db2.gz KICJEZOKLMQJCF-AWEZNQCLSA-N 0 1 345.855 3.814 50 30 EHEAMN C=CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cncn2C2CCCCC2)C1 ZINC000092021819 218105363 /nfs/dbraw/zinc/10/53/63/218105363.db2.gz HNVDTNRQMFZKEE-LJQANCHMSA-N 0 1 331.460 3.631 50 30 EHEAMN CCOc1ccccc1CN(CC)Cc1cc(C#CCO)cs1 ZINC000055405142 521477693 /nfs/dbraw/zinc/47/76/93/521477693.db2.gz AUVSYRHMINHXHV-UHFFFAOYSA-N 0 1 329.465 3.513 50 30 EHEAMN N#CC(C(=O)OCc1ccccc1)c1nc2ccccc2nc1Cl ZINC000005031677 526507787 /nfs/dbraw/zinc/50/77/87/526507787.db2.gz IHRAGUHMFUJAOS-ZDUSSCGKSA-N 0 1 337.766 3.634 50 30 EHEAMN Cc1cccc(/N=C2\NC(=O)C(Cc3ccc(C)c(Cl)c3)S2)n1 ZINC000006054489 563558328 /nfs/dbraw/zinc/55/83/28/563558328.db2.gz KICJEZOKLMQJCF-CQSZACIVSA-N 0 1 345.855 3.814 50 30 EHEAMN C=CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F ZINC000006492912 563569977 /nfs/dbraw/zinc/56/99/77/563569977.db2.gz XATLQTOJJGYBLD-KRWDZBQOSA-N 0 1 337.350 3.590 50 30 EHEAMN COc1ccccc1[C@@H]1c2c(C)n[nH]c2NC2=C1C(=O)CC(C)(C)C2 ZINC000006995453 563593177 /nfs/dbraw/zinc/59/31/77/563593177.db2.gz KYFJPYWXCUCRPE-QGZVFWFLSA-N 0 1 337.423 3.927 50 30 EHEAMN CCCN1CCN(C(=S)Nc2ccc(SC(F)F)cc2)CC1 ZINC000013685216 563710838 /nfs/dbraw/zinc/71/08/38/563710838.db2.gz CZSZWIWQQIRQRU-UHFFFAOYSA-N 0 1 345.484 3.946 50 30 EHEAMN N#Cc1cccnc1N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1 ZINC000067803669 563962754 /nfs/dbraw/zinc/96/27/54/563962754.db2.gz JFCUJPSYTYHEOE-UHFFFAOYSA-N 0 1 343.434 3.651 50 30 EHEAMN N#Cc1c(N)nc2c(c1-c1ccccc1)CN(Cc1ccccc1)CC2 ZINC000018222901 564018882 /nfs/dbraw/zinc/01/88/82/564018882.db2.gz IWTFNUYXOVCNPZ-UHFFFAOYSA-N 0 1 340.430 3.761 50 30 EHEAMN Oc1cccc(C=Nn2c(=S)[nH]nc2-c2cccc(Cl)c2)c1 ZINC000001276610 564033364 /nfs/dbraw/zinc/03/33/64/564033364.db2.gz KQYPJLNYIQYBCP-RQZCQDPDSA-N 0 1 330.800 3.849 50 30 EHEAMN COc1cccc(C=Nn2c(=S)[nH]nc2-c2ccccc2F)c1 ZINC000005911336 564093330 /nfs/dbraw/zinc/09/33/30/564093330.db2.gz ZMPIOJRESJAOHE-VCHYOVAHSA-N 0 1 328.372 3.638 50 30 EHEAMN Cn1c2ccccc2nc1C(C#N)C(=O)Cc1c(F)cccc1Cl ZINC000006651063 564095434 /nfs/dbraw/zinc/09/54/34/564095434.db2.gz GXMSSXCQQHSHBU-LBPRGKRZSA-N 0 1 341.773 3.785 50 30 EHEAMN Cc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(C#N)cc3)[nH]c2c1 ZINC000006908920 564101161 /nfs/dbraw/zinc/10/11/61/564101161.db2.gz FKTFDWJGSHTEGE-LBPRGKRZSA-N 0 1 336.420 3.862 50 30 EHEAMN N#CC(C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccccn1 ZINC000096422131 564147970 /nfs/dbraw/zinc/14/79/70/564147970.db2.gz NMGAZUPBJDBNAD-RDBSUJKOSA-N 0 1 346.308 3.960 50 30 EHEAMN N#CC(C#N)[C@@H](c1c(=O)[nH][nH]c1-c1ccccc1)c1ccc(F)cc1 ZINC000005773127 1042921242 /nfs/dbraw/zinc/92/12/42/1042921242.db2.gz RGKAXZTUMRVLPL-INIZCTEOSA-N 0 1 332.338 3.717 50 30 EHEAMN Cc1c(C[NH2+][C@H](c2nc3ccc(C)cc3[nH]2)C(C)C)cc(C#N)n1C ZINC000952973024 1137484315 /nfs/dbraw/zinc/48/43/15/1137484315.db2.gz XHJXVDZZEVXGBE-IBGZPJMESA-N 0 1 335.455 3.877 50 30 EHEAMN Cc1c(CN[C@H](c2nc3cc(C)ccc3[nH]2)C(C)C)cc(C#N)n1C ZINC000952973024 1137484316 /nfs/dbraw/zinc/48/43/16/1137484316.db2.gz XHJXVDZZEVXGBE-IBGZPJMESA-N 0 1 335.455 3.877 50 30 EHEAMN Cc1c(CN[C@H](c2nc3ccc(C)cc3[nH]2)C(C)C)cc(C#N)n1C ZINC000952973024 1137484317 /nfs/dbraw/zinc/48/43/17/1137484317.db2.gz XHJXVDZZEVXGBE-IBGZPJMESA-N 0 1 335.455 3.877 50 30 EHEAMN O=C1Oc2ccccc2C(=O)C1=CNc1ccc(OC(F)(F)F)cc1 ZINC000100179046 219094023 /nfs/dbraw/zinc/09/40/23/219094023.db2.gz AHAXUKGLHSRDLF-LCYFTJDESA-N 0 1 349.264 3.683 50 30 EHEAMN C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(Cl)cc1Cl ZINC000022608035 212309925 /nfs/dbraw/zinc/30/99/25/212309925.db2.gz WIPWTIYHQPDTJC-ANRSDYALSA-N 0 1 349.221 3.853 50 30 EHEAMN CCC1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2)C1=O ZINC000004937084 210329370 /nfs/dbraw/zinc/32/93/70/210329370.db2.gz LGERHHYECJMWLG-OEEIJACASA-N 0 1 343.477 3.992 50 30 EHEAMN Cc1ccc(-c2c[nH]c(=NC(=O)NC[C@@H](O)C(C)C)s2)c(C)c1 ZINC000328596007 258043058 /nfs/dbraw/zinc/04/30/58/258043058.db2.gz NGTQXWDUSXBIBR-CQSZACIVSA-N 0 1 333.457 3.770 50 30 EHEAMN Cc1ccccc1C[C@]1(CO)CCCN(CC#Cc2ccccc2)C1 ZINC000015077024 258017178 /nfs/dbraw/zinc/01/71/78/258017178.db2.gz ZHBGICVSPXSFIT-HSZRJFAPSA-N 0 1 333.475 3.664 50 30 EHEAMN CN(CC(=O)N(CCC#N)c1ccccc1)[C@H]1CCc2ccccc21 ZINC000029810335 522422979 /nfs/dbraw/zinc/42/29/79/522422979.db2.gz QTWLPKGQHNYJOR-FQEVSTJZSA-N 0 1 333.435 3.553 50 30 EHEAMN N=C(Cc1cccc2ccccc21)NOC(=O)CCc1ccccc1 ZINC000004888066 526814113 /nfs/dbraw/zinc/81/41/13/526814113.db2.gz ARVOKGAXFCHXJQ-UHFFFAOYSA-N 0 1 332.403 3.831 50 30 EHEAMN CSc1ccc(O[C@@H](C)C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000096420355 563951568 /nfs/dbraw/zinc/95/15/68/563951568.db2.gz DSBFUYAEFFPESR-SMDDNHRTSA-N 0 1 332.450 3.817 50 30 EHEAMN Oc1ccc(Br)cc1CN=Nc1cccc(Cl)n1 ZINC000013895892 563728844 /nfs/dbraw/zinc/72/88/44/563728844.db2.gz LVUVJYVUTXXUGU-VIZOYTHASA-N 0 1 326.581 3.649 50 30 EHEAMN C=CCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@@H]1c1ccccc1 ZINC000016741397 563822232 /nfs/dbraw/zinc/82/22/32/563822232.db2.gz ZONIADOSIBHDHW-HNNXBMFYSA-N 0 1 325.389 3.512 50 30 EHEAMN CCn1cc(-c2cc(-c3[nH]cnc3C)c(C#N)c(N)n2)c2ccccc21 ZINC000071498744 563935436 /nfs/dbraw/zinc/93/54/36/563935436.db2.gz QRXVOYKFINHFBB-UHFFFAOYSA-N 0 1 342.406 3.876 50 30 EHEAMN C=C(Br)CN[C@H](c1ccc(OC)cc1)C1CCOCC1 ZINC000096492490 563955711 /nfs/dbraw/zinc/95/57/11/563955711.db2.gz OBWANRPLEQLKMR-MRXNPFEDSA-N 0 1 340.261 3.661 50 30 EHEAMN Cc1nn(Cc2ccccc2)c(C)c1C=NNc1nc2ccccc2[nH]1 ZINC000005462151 564004383 /nfs/dbraw/zinc/00/43/83/564004383.db2.gz YIOJCGDJGCOADV-CIAFOILYSA-N 0 1 344.422 3.871 50 30 EHEAMN C[C@H]1CCc2sc(C(=O)Nc3nc(-c4ccccn4)n[nH]3)cc2C1 ZINC000047343223 564026148 /nfs/dbraw/zinc/02/61/48/564026148.db2.gz XPVUEHTYJXHWIG-JTQLQIEISA-N 0 1 339.424 3.689 50 30 EHEAMN CSc1cc(C(O)=C(C#N)c2nc3ccccc3[nH]2)ccc1F ZINC000155513518 564098426 /nfs/dbraw/zinc/09/84/26/564098426.db2.gz NMKUMAIOZFORIC-NSHDSACASA-N 0 1 325.368 3.914 50 30 EHEAMN Cc1csc([C@@H](C#N)C(=O)c2cnc(OCC3CC3)c(Cl)c2)n1 ZINC000096010291 564144648 /nfs/dbraw/zinc/14/46/48/564144648.db2.gz KNTXKPJWXGFDLG-LBPRGKRZSA-N 0 1 347.827 3.779 50 30 EHEAMN Cc1csc(C(C#N)C(=O)c2cnc(OCC3CC3)c(Cl)c2)n1 ZINC000096010291 564144649 /nfs/dbraw/zinc/14/46/49/564144649.db2.gz KNTXKPJWXGFDLG-LBPRGKRZSA-N 0 1 347.827 3.779 50 30 EHEAMN CC[C@@H](C)N(CC#Cc1ccccc1)Cc1ccc(C#CCO)s1 ZINC000055392809 214316341 /nfs/dbraw/zinc/31/63/41/214316341.db2.gz CXIXVSXRFFLBNI-GOSISDBHSA-N 0 1 337.488 3.744 50 30 EHEAMN Cc1[nH]c(SCC(=O)Nc2ccccc2C#N)nc1CC(C)C ZINC000004626145 210235473 /nfs/dbraw/zinc/23/54/73/210235473.db2.gz PWCBAUHRCSHYGX-UHFFFAOYSA-N 0 1 328.441 3.519 50 30 EHEAMN N#Cc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000003422787 210034392 /nfs/dbraw/zinc/03/43/92/210034392.db2.gz NTALCELLRGFSIU-UHFFFAOYSA-N 0 1 327.192 3.666 50 30 EHEAMN CCC1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2)C1=O ZINC000002321125 209839555 /nfs/dbraw/zinc/83/95/55/209839555.db2.gz FQRPOUBLXAAISR-KUFCMUKVSA-N 0 1 327.409 3.524 50 30 EHEAMN CCCC[N@@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccco1)O2 ZINC000020519004 212142265 /nfs/dbraw/zinc/14/22/65/212142265.db2.gz YPJDJNLUCZUMSL-BOPFTXTBSA-N 0 1 327.380 3.833 50 30 EHEAMN C(=N/N1CCN(Cc2cccc3ccccc32)CC1)\c1ccccc1 ZINC000019833146 212072858 /nfs/dbraw/zinc/07/28/58/212072858.db2.gz JRRTXRPXBWINQL-HAVVHWLPSA-N 0 1 329.447 3.992 50 30 EHEAMN N#C[C@H](C(=O)c1cccc(-c2nc[nH]n2)c1)c1nc2ccccc2s1 ZINC000330031805 258002907 /nfs/dbraw/zinc/00/29/07/258002907.db2.gz DOICKFPNCRVGLF-CYBMUJFWSA-N 0 1 345.387 3.571 50 30 EHEAMN N#CC(C(=O)c1cccc(-c2nc[nH]n2)c1)c1nc2ccccc2s1 ZINC000330031805 258002909 /nfs/dbraw/zinc/00/29/09/258002909.db2.gz DOICKFPNCRVGLF-CYBMUJFWSA-N 0 1 345.387 3.571 50 30 EHEAMN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(C)CC2)c1C(C)C ZINC000000085715 525532383 /nfs/dbraw/zinc/53/23/83/525532383.db2.gz WELCIUOZVMUYHU-UHFFFAOYSA-N 0 1 347.466 3.543 50 30 EHEAMN C=CCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000002705530 563603170 /nfs/dbraw/zinc/60/31/70/563603170.db2.gz FXCWCWGFSZIAAQ-OAHLLOKOSA-N 0 1 343.379 3.652 50 30 EHEAMN COc1ccc(Br)cc1C=NNc1nc2ccccc2[nH]1 ZINC000003902937 564057907 /nfs/dbraw/zinc/05/79/07/564057907.db2.gz JJAYWLPIIGHCEY-RQZCQDPDSA-N 0 1 345.200 3.780 50 30 EHEAMN COc1ccccc1C=Nn1c(=S)[nH]nc1-c1ccccc1F ZINC000005911557 564093327 /nfs/dbraw/zinc/09/33/27/564093327.db2.gz VEKRNEKWLKKZBH-VCHYOVAHSA-N 0 1 328.372 3.638 50 30 EHEAMN C=CCSc1ccccc1NS(=O)(=O)c1cccc(C(C)=O)c1 ZINC000007709665 564122171 /nfs/dbraw/zinc/12/21/71/564122171.db2.gz QQSUPFSKDNZEEG-UHFFFAOYSA-N 0 1 347.461 3.968 50 30 EHEAMN COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)C/C(=N\O)[C@H]2C)cc1 ZINC000004375777 210183324 /nfs/dbraw/zinc/18/33/24/210183324.db2.gz OYGRPLURZDNYIE-NBWPTYKQSA-N 0 1 340.423 3.946 50 30 EHEAMN CC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccncc1 ZINC000004172238 210137681 /nfs/dbraw/zinc/13/76/81/210137681.db2.gz BJFGNIHQISGXLE-FQEVSTJZSA-N 0 1 333.391 3.608 50 30 EHEAMN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)n1ncnc1N2 ZINC000000066984 209398339 /nfs/dbraw/zinc/39/83/39/209398339.db2.gz WRDNTZOCAOVAOF-CQSZACIVSA-N 0 1 335.194 3.607 50 30 EHEAMN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000012735787 211441793 /nfs/dbraw/zinc/44/17/93/211441793.db2.gz CVYXRPRMYATCRS-UHFFFAOYSA-N 0 1 338.436 3.681 50 30 EHEAMN COc1ccc([C@H]2C(C(C)=O)=C(C)N=C3Nc4ccccc4N32)cc1O ZINC000012323944 211348020 /nfs/dbraw/zinc/34/80/20/211348020.db2.gz DYYIIOXOLOQDOD-IBGZPJMESA-N 0 1 349.390 3.607 50 30 EHEAMN N#CC(C(=O)Cc1ccccc1)c1nc2ccccc2n1C(F)F ZINC000058174496 563938967 /nfs/dbraw/zinc/93/89/67/563938967.db2.gz FCNJSZRZHAEMJK-CYBMUJFWSA-N 0 1 325.318 3.850 50 30 EHEAMN CCOc1nc2ccccc2nc1C(C#N)C(=O)Nc1cccc(C)c1 ZINC000005451637 564004184 /nfs/dbraw/zinc/00/41/84/564004184.db2.gz KIWHODPPXRLDJX-OAHLLOKOSA-N 0 1 346.390 3.583 50 30 EHEAMN Cc1cc(C)nc(C(C#N)C(=O)c2ccc3ccc(Cl)cc3n2)n1 ZINC000079052962 564137753 /nfs/dbraw/zinc/13/77/53/564137753.db2.gz WTMIDZNVBPCVGY-AWEZNQCLSA-N 0 1 336.782 3.785 50 30 EHEAMN Cc1cc(=O)[nH]c(SCc2cc(-c3cccs3)on2)c1C#N ZINC000008704935 564166450 /nfs/dbraw/zinc/16/64/50/564166450.db2.gz FHJWTLCKWHZTMG-UHFFFAOYSA-N 0 1 329.406 3.564 50 30 EHEAMN CCO[C@@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000069846649 564172503 /nfs/dbraw/zinc/17/25/03/564172503.db2.gz RJPHRNBNGAHWLJ-UWVGGRQHSA-N 0 1 336.363 3.690 50 30 EHEAMN CCc1oc(C(=O)C(C#N)C(=O)Nc2cccc(Cl)c2)cc1C ZINC000101652895 568417291 /nfs/dbraw/zinc/41/72/91/568417291.db2.gz QBJBMRFIUBVBNS-ZDUSSCGKSA-N 0 1 330.771 3.765 50 30 EHEAMN COc1cc(/C=C\C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1O ZINC000033474233 1122757392 /nfs/dbraw/zinc/75/73/92/1122757392.db2.gz ROZNWVOFHPOWDK-ALCCZGGFSA-N 0 1 327.336 3.822 50 30 EHEAMN Cc1ccc(-c2nc(C#N)c(NC[C@H](c3ccco3)N(C)C)o2)cc1 ZINC000027664181 1137977444 /nfs/dbraw/zinc/97/74/44/1137977444.db2.gz XIJMBILRSWGTHT-MRXNPFEDSA-N 0 1 336.395 3.830 50 30 EHEAMN COc1ccc(C=NNc2nc3ccc(Cl)cc3[nH]2)cc1OC ZINC000004738214 210264779 /nfs/dbraw/zinc/26/47/79/210264779.db2.gz IYVGYMJILLQADZ-GIJQJNRQSA-N 0 1 330.775 3.680 50 30 EHEAMN COc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCCCO3)c(O)c1 ZINC000004024501 210101326 /nfs/dbraw/zinc/10/13/26/210101326.db2.gz HPOZTVDYTCWOGL-XBXARRHUSA-N 0 1 340.375 3.848 50 30 biogenic EHEAMN Oc1ccc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000019849105 212076401 /nfs/dbraw/zinc/07/64/01/212076401.db2.gz QPVDQAOIABHONF-XQNSMLJCSA-N 0 1 345.446 3.697 50 30 EHEAMN N#Cc1ccsc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000009483750 211090655 /nfs/dbraw/zinc/09/06/55/211090655.db2.gz JIVXPLCHNYUCMY-UHFFFAOYSA-N 0 1 348.840 3.880 50 30 EHEAMN C=CCN(CC=C)C(=O)[C@@H](C)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000095349225 218284129 /nfs/dbraw/zinc/28/41/29/218284129.db2.gz SZYVQCGKZLOJPQ-QGZVFWFLSA-N 0 1 349.478 3.846 50 30 EHEAMN CCC1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2)C1=O ZINC000004937081 210329497 /nfs/dbraw/zinc/32/94/97/210329497.db2.gz LGERHHYECJMWLG-WPFCCQJKSA-N 0 1 343.477 3.992 50 30 EHEAMN COc1ccccc1CN=Nc1cc(C)nc(-c2ccccc2O)n1 ZINC000004957724 524326703 /nfs/dbraw/zinc/32/67/03/524326703.db2.gz CWAZMICEEZUJRX-UDWIEESQSA-N 0 1 334.379 3.612 50 30 EHEAMN CN(C)c1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000000228734 563263398 /nfs/dbraw/zinc/26/33/98/563263398.db2.gz OWPKUZYSLNFXLI-RCCKNPSSSA-N 0 1 342.874 3.562 50 30 EHEAMN CN(CC(=O)Nc1sccc1C#N)CC12CC3CC(CC(C3)C1)C2 ZINC000014183111 563983390 /nfs/dbraw/zinc/98/33/90/563983390.db2.gz HXSQPMSQFCNFSH-UHFFFAOYSA-N 0 1 343.496 3.706 50 30 EHEAMN CC(C)c1ccc(C#N)c(N[C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000534633609 563996677 /nfs/dbraw/zinc/99/66/77/563996677.db2.gz NNQSTKMKFFPUPF-GOSISDBHSA-N 0 1 335.455 3.548 50 30 EHEAMN CC[C@@H](OC)C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000062676435 564017750 /nfs/dbraw/zinc/01/77/50/564017750.db2.gz IRAYTZPOAQUIAX-GXSJLCMTSA-N 0 1 342.342 3.916 50 30 EHEAMN C#CCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc1 ZINC000006157383 564076962 /nfs/dbraw/zinc/07/69/62/564076962.db2.gz VLZQGZARVPLUAC-CPNJWEJPSA-N 0 1 334.404 3.502 50 30 EHEAMN OCC#Cc1csc(CN2CCCC[C@H]2c2cccc(F)c2)c1 ZINC000828644566 1131442763 /nfs/dbraw/zinc/44/27/63/1131442763.db2.gz FMPTWLGRIQTJFO-IBGZPJMESA-N 0 1 329.440 3.958 50 30 EHEAMN CC1(C)CC(=O)C2=C(C1)Nc1c(C#N)cnn1[C@H]2c1ccccc1F ZINC000049546521 214016272 /nfs/dbraw/zinc/01/62/72/214016272.db2.gz TWRKMGXCTGABON-KRWDZBQOSA-N 0 1 336.370 3.552 50 30 EHEAMN O=C(C=C([O-])C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1 ZINC000101355472 219124040 /nfs/dbraw/zinc/12/40/40/219124040.db2.gz BIHHGXUADQPMAY-NVNXTCNLSA-N 0 1 337.709 3.882 50 30 EHEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000102599552 219213207 /nfs/dbraw/zinc/21/32/07/219213207.db2.gz GQJDMZSQIKCNMM-SELCWUDQSA-N 0 1 335.403 3.908 50 30 EHEAMN CN(C)[C@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccsc1 ZINC000040103378 213265155 /nfs/dbraw/zinc/26/51/55/213265155.db2.gz GOZBRGNVBPJMKT-OAHLLOKOSA-N 0 1 348.859 3.698 50 30 EHEAMN N#Cc1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)nc1 ZINC000040024878 213252470 /nfs/dbraw/zinc/25/24/70/213252470.db2.gz RGUNSZSGFDTHMQ-UHFFFAOYSA-N 0 1 326.831 3.683 50 30 EHEAMN CCC1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2)C1=O ZINC000004898149 210316017 /nfs/dbraw/zinc/31/60/17/210316017.db2.gz FQRPOUBLXAAISR-OEEIJACASA-N 0 1 327.409 3.524 50 30 EHEAMN C=CCN(Cc1cccc(OC)c1)Cc1cc2c(c(OC)c1)OCO2 ZINC000055568866 518784234 /nfs/dbraw/zinc/78/42/34/518784234.db2.gz AVVYWFWTHCDGCV-UHFFFAOYSA-N 0 1 341.407 3.621 50 30 EHEAMN O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccccc1F ZINC000082138141 563972647 /nfs/dbraw/zinc/97/26/47/563972647.db2.gz JAKLKHIASZNQMS-UHFFFAOYSA-N 0 1 327.403 3.626 50 30 EHEAMN Cc1csc(C(C#N)C(=O)c2cccc(OCc3cccnc3)c2)n1 ZINC000073087273 563994784 /nfs/dbraw/zinc/99/47/84/563994784.db2.gz ZQFMKYWHLFSDNW-KRWDZBQOSA-N 0 1 349.415 3.916 50 30 EHEAMN CC(C)(C)n1nc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1C1CC1 ZINC000048813748 564032320 /nfs/dbraw/zinc/03/23/20/564032320.db2.gz WXDBNMQVRXEMKC-ZDUSSCGKSA-N 0 1 347.422 3.882 50 30 EHEAMN CCOC(=O)C(N=Nc1ccccc1C)C(=O)CCc1ccccc1 ZINC000004567084 564063445 /nfs/dbraw/zinc/06/34/45/564063445.db2.gz ACQUJJVVRKTRET-QOCHGBHMSA-N 0 1 338.407 3.528 50 30 EHEAMN Cc1noc(C)c1[C@@H]1CCCN1Cc1ccc(C#CC(C)(C)O)s1 ZINC000065488125 564066854 /nfs/dbraw/zinc/06/68/54/564066854.db2.gz GLPFBIXRCZMTNO-KRWDZBQOSA-N 0 1 344.480 3.812 50 30 EHEAMN CN(C(=O)CN1CCC[C@H]1c1ccccc1)C1(C#N)CCCCC1 ZINC000008735122 564167127 /nfs/dbraw/zinc/16/71/27/564167127.db2.gz DVKOCPHAVKGXPU-SFHVURJKSA-N 0 1 325.456 3.508 50 30 EHEAMN N=C(Cc1ccc(Cl)c(Cl)c1)NOC(=O)c1ccc(F)cc1 ZINC000004685103 210247846 /nfs/dbraw/zinc/24/78/46/210247846.db2.gz PRTWIPFYXVRDJU-UHFFFAOYSA-N 0 1 341.169 3.804 50 30 EHEAMN O=C(C=C(O)C(=O)Nc1ccccc1)c1ccc(Br)cc1 ZINC000100223192 219095251 /nfs/dbraw/zinc/09/52/51/219095251.db2.gz VLKXRBLLYPDQFY-GDNBJRDFSA-N 0 1 346.180 3.712 50 30 EHEAMN O=[N+]([O-])c1ccccc1NN=Cc1ccc(Br)s1 ZINC000004119169 210125352 /nfs/dbraw/zinc/12/53/52/210125352.db2.gz DIKPRHICCVRALH-NTUHNPAUSA-N 0 1 326.175 3.865 50 30 EHEAMN CC(/C=C/c1ccccc1)=N\N=C1\NC(=O)C(Cc2ccccc2)S1 ZINC000005010026 210359811 /nfs/dbraw/zinc/35/98/11/210359811.db2.gz WQESMCJEFRIXEH-YYZACMOJSA-N 0 1 349.459 3.906 50 30 EHEAMN CCCCCCOc1ccc(/C=N/N=C2/NC(=O)C(C)S2)cc1 ZINC000004536191 563504701 /nfs/dbraw/zinc/50/47/01/563504701.db2.gz DISRUNSTYOJZCY-RNEAKCBISA-N 0 1 333.457 3.587 50 30 EHEAMN Cc1cc2nc(N=C(N)NC(=O)Nc3ccccc3)nc(C)c2cc1C ZINC000013940760 563731748 /nfs/dbraw/zinc/73/17/48/563731748.db2.gz HBMWFXMRSSDLJN-UHFFFAOYSA-N 0 1 348.410 3.514 50 30 EHEAMN Cc1cc([C@@H](C)NCC(=O)Nc2oc(C)c(C)c2C#N)c(C)s1 ZINC000182979707 564056438 /nfs/dbraw/zinc/05/64/38/564056438.db2.gz JFMADDQEMPLAEM-LLVKDONJSA-N 0 1 331.441 3.736 50 30 EHEAMN O=[N+]([O-])c1ccc(C=Nn2c(-c3ccccc3F)n[nH]c2=S)cc1 ZINC000005998621 564113025 /nfs/dbraw/zinc/11/30/25/564113025.db2.gz ZESWMVIQUJQHEO-RQZCQDPDSA-N 0 1 343.343 3.537 50 30 EHEAMN Cc1cccc(/N=C2\NC(=O)C(Cc3ccccc3Cl)S2)n1 ZINC000002321775 564132292 /nfs/dbraw/zinc/13/22/92/564132292.db2.gz MSMIAMFXXCCSJH-ZDUSSCGKSA-N 0 1 331.828 3.505 50 30 EHEAMN N#CC(C(=O)Cc1coc(-c2cccs2)n1)c1nc2ccccc2[nH]1 ZINC000078787829 564137204 /nfs/dbraw/zinc/13/72/04/564137204.db2.gz NSRQYUCIKBBBIT-GFCCVEGCSA-N 0 1 348.387 3.698 50 30 EHEAMN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2C[C@H]2c2ccccc2)C1 ZINC000330298994 564138349 /nfs/dbraw/zinc/13/83/49/564138349.db2.gz LZGNKFFSDWJMCH-FGTMMUONSA-N 0 1 338.455 3.553 50 30 EHEAMN N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1NCCN1CCCCC1 ZINC000096346288 564146863 /nfs/dbraw/zinc/14/68/63/564146863.db2.gz AMXZVVRBMMDOHF-SJORKVTESA-N 0 1 336.439 3.715 50 30 EHEAMN CCO[C@H](C)C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000069846646 564172497 /nfs/dbraw/zinc/17/24/97/564172497.db2.gz RJPHRNBNGAHWLJ-NXEZZACHSA-N 0 1 336.363 3.690 50 30 EHEAMN Cc1cnc(C2CN(Cc3cccc(C#N)c3)C2)n1Cc1ccccc1 ZINC000575552361 1131572939 /nfs/dbraw/zinc/57/29/39/1131572939.db2.gz AKOOMPYSJXZIOV-UHFFFAOYSA-N 0 1 342.446 3.711 50 30 EHEAMN C=CCNc1ccccc1C(=O)N(C)Cc1n[nH]c2c1CCCCC2 ZINC000055359321 214312035 /nfs/dbraw/zinc/31/20/35/214312035.db2.gz JYEWHKLNPWSUJL-UHFFFAOYSA-N 0 1 338.455 3.549 50 30 EHEAMN C#CCN1CCC(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)CC1 ZINC000072273284 216097254 /nfs/dbraw/zinc/09/72/54/216097254.db2.gz UHPCNNGGQPWGSC-OAQYLSRUSA-N 0 1 349.478 3.567 50 30 EHEAMN Cc1cc(C[C@@H](C)n2ccnc2-c2ccc(C#CC(C)(C)O)cc2)[nH]n1 ZINC000072427193 216217681 /nfs/dbraw/zinc/21/76/81/216217681.db2.gz JBBKMRKCSUYUED-MRXNPFEDSA-N 0 1 348.450 3.508 50 30 EHEAMN C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(Cl)cc1Cl ZINC000022608033 212310020 /nfs/dbraw/zinc/31/00/20/212310020.db2.gz WIPWTIYHQPDTJC-VXJOIVPMSA-N 0 1 349.221 3.853 50 30 EHEAMN C[C@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccco2)O3)C1 ZINC000020518115 212142960 /nfs/dbraw/zinc/14/29/60/212142960.db2.gz QZDSHNHVLIJZHD-VQIMKDEXSA-N 0 1 339.391 3.833 50 30 aggregator,biogenic EHEAMN O=[N+]([O-])c1cccc(C=NNc2nnc(Cl)c3ccccc32)c1 ZINC000004811522 210282980 /nfs/dbraw/zinc/28/29/80/210282980.db2.gz UXNBRNASCNCLGL-RQZCQDPDSA-N 0 1 327.731 3.637 50 30 EHEAMN C=C(C)[C@@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccc(F)c(F)c1 ZINC000369007249 258001886 /nfs/dbraw/zinc/00/18/86/258001886.db2.gz CTRVWEJSRLDCCT-HZPDHXFCSA-N 0 1 346.381 3.682 50 30 EHEAMN C=C(C)[C@H](NC(=O)N[C@H]1CCCc2cn[nH]c21)c1ccc(F)c(F)c1 ZINC000328588367 518645009 /nfs/dbraw/zinc/64/50/09/518645009.db2.gz CTRVWEJSRLDCCT-HOTGVXAUSA-N 0 1 346.381 3.886 50 30 EHEAMN Cc1ccc(C(=N)NOC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000004192183 525941458 /nfs/dbraw/zinc/94/14/58/525941458.db2.gz NZSPUJANGOLHAG-UHFFFAOYSA-N 0 1 346.814 3.508 50 30 EHEAMN O=C1c2ccccc2C(=O)C1=Cc1ccc(O)c(Br)c1 ZINC000000378281 563299389 /nfs/dbraw/zinc/29/93/89/563299389.db2.gz HEUZOZXAJYAJIF-UHFFFAOYSA-N 0 1 329.149 3.617 50 30 EHEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2ccc(C)cc2)ccc1O ZINC000001247471 563381204 /nfs/dbraw/zinc/38/12/04/563381204.db2.gz JEMCNCVNJIPYTH-VCHYOVAHSA-N 0 1 340.408 3.513 50 30 EHEAMN N#Cc1ccc(NC2CCN(Cc3ccccn3)CC2)cc1Cl ZINC000071894069 563488635 /nfs/dbraw/zinc/48/86/35/563488635.db2.gz XQZGDJIMACRBDZ-UHFFFAOYSA-N 0 1 326.831 3.683 50 30 EHEAMN CN(C)c1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000013660223 563707577 /nfs/dbraw/zinc/70/75/77/563707577.db2.gz OWPKUZYSLNFXLI-QNGOZBTKSA-N 0 1 342.874 3.562 50 30 EHEAMN C[C@H](Oc1ccccc1Cl)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000058265751 563941161 /nfs/dbraw/zinc/94/11/61/563941161.db2.gz CQOKQRVPBUIXLN-JTQLQIEISA-N 0 1 343.774 3.576 50 30 EHEAMN C[C@H]1C[N@@H+](Cc2ccccc2)Cc2c1nc(N)c(C#N)c2-c1ccco1 ZINC000071759886 563983047 /nfs/dbraw/zinc/98/30/47/563983047.db2.gz JLGOXGPWUKDNKP-AWEZNQCLSA-N 0 1 344.418 3.915 50 30 EHEAMN C[C@H]1CN(Cc2ccccc2)Cc2c1nc(N)c(C#N)c2-c1ccco1 ZINC000071759886 563983048 /nfs/dbraw/zinc/98/30/48/563983048.db2.gz JLGOXGPWUKDNKP-AWEZNQCLSA-N 0 1 344.418 3.915 50 30 EHEAMN COc1cc(/C=C2/CCc3ccccc3C2=O)cc([N+](=O)[O-])c1O ZINC000033734512 563994108 /nfs/dbraw/zinc/99/41/08/563994108.db2.gz CXGNJDJVROXUAG-JYRVWZFOSA-N 0 1 325.320 3.522 50 30 EHEAMN C/C(=N\N=C1/NC(=O)C(Cc2ccccc2C)S1)c1ccccc1 ZINC000005756195 564029086 /nfs/dbraw/zinc/02/90/86/564029086.db2.gz KMJBWWOBPAHOSF-JPOGYNCRSA-N 0 1 337.448 3.549 50 30 EHEAMN N#Cc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000005928309 564056997 /nfs/dbraw/zinc/05/69/97/564056997.db2.gz LVADQAUZFWCOAU-UHFFFAOYSA-N 0 1 342.811 3.819 50 30 EHEAMN C=C(C)CN(CC)Cc1c(C(=O)N(C)CCCC)nc2ccccn21 ZINC000013595368 564073901 /nfs/dbraw/zinc/07/39/01/564073901.db2.gz QJGMTSPRUUXMOB-UHFFFAOYSA-N 0 1 342.487 3.604 50 30 EHEAMN Cc1nc(SCC(=O)Nc2ccccc2C#N)[nH]c1-c1ccccc1 ZINC000006697480 564096060 /nfs/dbraw/zinc/09/60/60/564096060.db2.gz MOKZWCLNBGTABS-UHFFFAOYSA-N 0 1 348.431 3.988 50 30 EHEAMN CCOc1ccccc1/C(O)=N/c1c(=O)oc2ccccc2c1NC ZINC000006823461 564098936 /nfs/dbraw/zinc/09/89/36/564098936.db2.gz NNYQHHIRUVWNGH-UHFFFAOYSA-N 0 1 338.363 3.870 50 30 EHEAMN N#Cc1cccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000027222941 564119181 /nfs/dbraw/zinc/11/91/81/564119181.db2.gz XGVDTCWOLUMELI-NRFANRHFSA-N 0 1 342.446 3.970 50 30 EHEAMN C=C[C@@H]1CCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000584896743 564131673 /nfs/dbraw/zinc/13/16/73/564131673.db2.gz ZGIACHQORYGSNH-OAHLLOKOSA-N 0 1 347.890 3.522 50 30 EHEAMN Cc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000008745094 564134081 /nfs/dbraw/zinc/13/40/81/564134081.db2.gz LRZAJFBZMCUEBJ-UHFFFAOYSA-N 0 1 348.450 3.607 50 30 EHEAMN C[C@H](NCc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000057406486 564153982 /nfs/dbraw/zinc/15/39/82/564153982.db2.gz SBGSCGCBAIOONJ-LBPRGKRZSA-N 0 1 347.340 3.694 50 30 EHEAMN