smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1C#N ZINC000008394299 204275211 /nfs/dbraw/zinc/27/52/11/204275211.db2.gz VMZRYTBSCBENCR-UHFFFAOYSA-N 0 1 397.456 3.327 10 30 GGEEMN COCC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000070018057 204987684 /nfs/dbraw/zinc/98/76/84/204987684.db2.gz VAZQYGYBUONSPU-OAQYLSRUSA-N 0 1 387.499 3.327 10 30 GGEEMN COc1ccc(-c2nc(NCc3ccc4c(c3)OCO4)[nH]c(=O)c2C#N)cc1 ZINC000040129953 205055406 /nfs/dbraw/zinc/05/54/06/205055406.db2.gz DGRASKFZTGODKF-UHFFFAOYSA-N 0 1 376.372 3.070 10 30 GGEEMN CCOc1cc(CNC(=O)C(C#N)c2nc(C)cs2)ccc1OC(F)F ZINC000095453890 520705748 /nfs/dbraw/zinc/70/57/48/520705748.db2.gz DFSKAYMNUVJXHA-LBPRGKRZSA-N 0 1 381.404 3.375 10 30 GGEEMN COc1cc(/C=N\n2cnnc2SCc2ccccc2)cc([N+](=O)[O-])c1O ZINC000103736678 522009900 /nfs/dbraw/zinc/00/99/00/522009900.db2.gz CWGSFWCYESANJD-OCKHKDLRSA-N 0 1 385.405 3.075 10 30 GGEEMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OC(C)=O)c(OC)c2)cc1 ZINC000004680234 523178215 /nfs/dbraw/zinc/17/82/15/523178215.db2.gz JFEUSTQUTYARSO-JAIQZWGSSA-N 0 1 398.444 3.432 10 30 GGEEMN COc1ccccc1-c1n[nH]c(NC(=O)COc2ccc(C#N)cc2OC)n1 ZINC000058216673 524276751 /nfs/dbraw/zinc/27/67/51/524276751.db2.gz DDIYPQAMFWVUKY-UHFFFAOYSA-N 0 1 379.376 3.028 10 30 GGEEMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccn2)cc1 ZINC000102909585 525942498 /nfs/dbraw/zinc/94/24/98/525942498.db2.gz FZDBSRQOQIBOAN-GOBJLOIFSA-N 0 1 385.423 3.407 10 30 GGEEMN N=C(NN=Cc1cc(Br)cc(Br)c1O)c1ccccn1 ZINC000002070757 564186680 /nfs/dbraw/zinc/18/66/80/564186680.db2.gz DDSCLIMKCHDUBT-UHFFFAOYSA-N 0 1 398.058 3.052 10 30 GGEEMN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccccc1Br ZINC000023410541 564324079 /nfs/dbraw/zinc/32/40/79/564324079.db2.gz ZJQXYZHDNYCGKV-ZFWWWQNUSA-N 0 1 375.266 3.411 10 30 GGEEMN C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1cccc(Br)c1 ZINC000128440428 564619463 /nfs/dbraw/zinc/61/94/63/564619463.db2.gz LPRRNBDQZQEALT-ZDUSSCGKSA-N 0 1 393.306 3.445 10 30 GGEEMN N#Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2-n2cncn2)ccc1Cl ZINC000055584792 564625171 /nfs/dbraw/zinc/62/51/71/564625171.db2.gz RBLJNHFEMHQVPR-UHFFFAOYSA-N 0 1 394.243 3.247 10 30 GGEEMN CC(C)c1nnc2ccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cn21 ZINC000187778508 565354515 /nfs/dbraw/zinc/35/45/15/565354515.db2.gz CRUZXLHSAODIKK-UHFFFAOYSA-N 0 1 375.841 3.179 10 30 GGEEMN N#CC1(NC(=O)c2cncc(Br)c2)CCN(Cc2ccccc2)CC1 ZINC000374877656 565357783 /nfs/dbraw/zinc/35/77/83/565357783.db2.gz FSDYJABRQXKRSS-UHFFFAOYSA-N 0 1 399.292 3.132 10 30 GGEEMN N#Cc1cccc(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)c1 ZINC000171223320 565419768 /nfs/dbraw/zinc/41/97/68/565419768.db2.gz ATPQJIBGLVOMEA-UHFFFAOYSA-N 0 1 382.221 3.036 10 30 GGEEMN N#Cc1cccc(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000171223320 565419771 /nfs/dbraw/zinc/41/97/71/565419771.db2.gz ATPQJIBGLVOMEA-UHFFFAOYSA-N 0 1 382.221 3.036 10 30 GGEEMN CN(Cc1ccc(Br)cc1C#N)C1CCN(c2cnccn2)CC1 ZINC000376530601 565441430 /nfs/dbraw/zinc/44/14/30/565441430.db2.gz AOXCQNZGLOPKPV-UHFFFAOYSA-N 0 1 386.297 3.212 10 30 GGEEMN Cc1cc(F)c(Br)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000390498606 565556414 /nfs/dbraw/zinc/55/64/14/565556414.db2.gz KEARGQAMXKWCJZ-UHFFFAOYSA-N 0 1 384.230 3.273 10 30 GGEEMN N#Cc1ccc(OCCNC(=O)c2n[nH]c3ccc(Br)cc32)cc1 ZINC000174155370 565618105 /nfs/dbraw/zinc/61/81/05/565618105.db2.gz YTOQYBBHBSHVSL-UHFFFAOYSA-N 0 1 385.221 3.006 10 30 GGEEMN Cc1nc(C)n(C[C@@H]2CCCN(Cc3cc(C#N)ccc3Br)C2)n1 ZINC000191786047 565631689 /nfs/dbraw/zinc/63/16/89/565631689.db2.gz OPPIVQQANQCXBW-MRXNPFEDSA-N 0 1 388.313 3.441 10 30 GGEEMN O=C(NC[C@H]1CCCCN1CCO)c1cc(Cl)cc(Br)c1F ZINC000331324176 565754120 /nfs/dbraw/zinc/75/41/20/565754120.db2.gz MAGCUARQXOOFAM-LLVKDONJSA-N 0 1 393.684 3.393 10 30 GGEEMN O=C(NC[C@H]1CCCCN1CCO)c1cc(Cl)cc(F)c1Br ZINC000331349724 565756734 /nfs/dbraw/zinc/75/67/34/565756734.db2.gz XXOUDPBOCHGGMJ-LLVKDONJSA-N 0 1 393.684 3.393 10 30 GGEEMN C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000179115360 565958700 /nfs/dbraw/zinc/95/87/00/565958700.db2.gz NSVOEQAMRRIOKA-ZDUSSCGKSA-N 0 1 393.306 3.445 10 30 GGEEMN COC(=O)c1cc(C([O-])(C(F)(F)F)C(F)(F)F)c([NH+]=CN(C)C)s1 ZINC000252513402 566114606 /nfs/dbraw/zinc/11/46/06/566114606.db2.gz ZOOALAPCAQEXPE-UHFFFAOYSA-N 0 1 378.294 3.068 10 30 GGEEMN COCCOc1ccc(C#N)cc1NS(=O)(=O)c1cccc(Cl)c1C ZINC000181794728 566165657 /nfs/dbraw/zinc/16/56/57/566165657.db2.gz IHIGETJMYLAEAW-UHFFFAOYSA-N 0 1 380.853 3.346 10 30 GGEEMN CCN(Cc1cc(Br)ccc1F)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599273971 566251959 /nfs/dbraw/zinc/25/19/59/566251959.db2.gz LBXJCILIDSZWMT-INIZCTEOSA-N 0 1 399.304 3.481 10 30 GGEEMN CC[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000599358261 566257381 /nfs/dbraw/zinc/25/73/81/566257381.db2.gz CBPMDZZLFGZJIH-NWDGAFQWSA-N 0 1 377.432 3.274 10 30 GGEEMN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599625991 566280459 /nfs/dbraw/zinc/28/04/59/566280459.db2.gz BVUYPJUSZDEQLI-DYVFJYSZSA-N 0 1 385.339 3.194 10 30 GGEEMN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599628801 566280524 /nfs/dbraw/zinc/28/05/24/566280524.db2.gz UQMLBSKDPRCWJZ-SJLPKXTDSA-N 0 1 385.339 3.240 10 30 GGEEMN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599628799 566280901 /nfs/dbraw/zinc/28/09/01/566280901.db2.gz UQMLBSKDPRCWJZ-AEFFLSMTSA-N 0 1 385.339 3.240 10 30 GGEEMN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1CC(=O)NC1(C#N)CCC1 ZINC000599651972 566282658 /nfs/dbraw/zinc/28/26/58/566282658.db2.gz JTKTWODDHVWDIR-HIFRSBDPSA-N 0 1 376.298 3.189 10 30 GGEEMN C=CC[C@@H]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000600212558 566325390 /nfs/dbraw/zinc/32/53/90/566325390.db2.gz GETUVECEWOQJDO-SNVBAGLBSA-N 0 1 381.217 3.206 10 30 GGEEMN N#Cc1cc(F)c(NCc2n[nH]c(C3CCOCC3)n2)cc1Br ZINC000601222049 566396904 /nfs/dbraw/zinc/39/69/04/566396904.db2.gz FQXCQACCTDWZJX-UHFFFAOYSA-N 0 1 380.221 3.084 10 30 GGEEMN CO[C@H]1CCOc2c(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cccc21 ZINC000447786516 566430051 /nfs/dbraw/zinc/43/00/51/566430051.db2.gz GRLAQHNMSYNZQX-INIZCTEOSA-N 0 1 378.837 3.482 10 30 GGEEMN C=CCN(CC=C)[C@H](CNC(=O)C(=O)c1ccc(Br)cc1)C(C)C ZINC000511048735 566431465 /nfs/dbraw/zinc/43/14/65/566431465.db2.gz RGVGMTJKFDYGEI-QGZVFWFLSA-N 0 1 393.325 3.447 10 30 GGEEMN N#CC1(C[C@@H](O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)CCOCC1 ZINC000601955601 566434551 /nfs/dbraw/zinc/43/45/51/566434551.db2.gz ZGCPISFETJNCNX-CQSZACIVSA-N 0 1 378.885 3.289 10 30 GGEEMN C=CC1CCN(C(=O)c2[nH]nc3ccc(I)cc32)CC1 ZINC000463837907 566437839 /nfs/dbraw/zinc/43/78/39/566437839.db2.gz RNPFQTFPPJYEKK-UHFFFAOYSA-N 0 1 381.217 3.206 10 30 GGEEMN N#Cc1cc(Br)cc(S(=O)(=O)Nc2cccc3c2OCCC3)c1 ZINC000464559405 566485450 /nfs/dbraw/zinc/48/54/50/566485450.db2.gz JVEXLCUCIQGPDK-UHFFFAOYSA-N 0 1 393.262 3.447 10 30 GGEEMN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000559139761 566528502 /nfs/dbraw/zinc/52/85/02/566528502.db2.gz APQBAIZFDYHNDS-SNVBAGLBSA-N 0 1 381.788 3.250 10 30 GGEEMN C=CC[C@H]1CCN(Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000628406154 566554107 /nfs/dbraw/zinc/55/41/07/566554107.db2.gz CYQKLHPJTHBWNE-KBPBESRZSA-N 0 1 381.314 3.360 10 30 GGEEMN N#Cc1cccc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000560012636 566584572 /nfs/dbraw/zinc/58/45/72/566584572.db2.gz KILNNXOKGYFEEO-UHFFFAOYSA-N 0 1 382.195 3.030 10 30 GGEEMN C=CCNc1ncc(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)s1 ZINC000425322221 566630765 /nfs/dbraw/zinc/63/07/65/566630765.db2.gz IZAOZWCPZCGJIU-UHFFFAOYSA-N 0 1 377.539 3.028 10 30 GGEEMN CN1CC[C@H](NC(=O)c2ccc(Br)cc2C#N)[C@H]1c1ccccc1 ZINC000450437952 566670378 /nfs/dbraw/zinc/67/03/78/566670378.db2.gz LRBFELQLSINURO-ZWKOTPCHSA-N 0 1 384.277 3.496 10 30 GGEEMN N#Cc1ccc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000580302019 566680672 /nfs/dbraw/zinc/68/06/72/566680672.db2.gz IDPIQZXZKSNQFW-UHFFFAOYSA-N 0 1 382.195 3.030 10 30 GGEEMN N#Cc1ccc(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)s1 ZINC000487723416 566688448 /nfs/dbraw/zinc/68/84/48/566688448.db2.gz NNKAULZSKPZRDL-UHFFFAOYSA-N 0 1 388.250 3.097 10 30 GGEEMN N#Cc1ccc(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)s1 ZINC000487723416 566688451 /nfs/dbraw/zinc/68/84/51/566688451.db2.gz NNKAULZSKPZRDL-UHFFFAOYSA-N 0 1 388.250 3.097 10 30 GGEEMN C=CCOc1ccccc1CNCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000676905577 566716345 /nfs/dbraw/zinc/71/63/45/566716345.db2.gz YSGDPYRSAJWNFA-UHFFFAOYSA-N 0 1 386.926 3.034 10 30 GGEEMN N#Cc1csc(CNC[C@@H]2CCN(c3ccc(Br)cc3)C2)n1 ZINC000581041212 566746107 /nfs/dbraw/zinc/74/61/07/566746107.db2.gz HTHYLPSGYKUNBX-LBPRGKRZSA-N 0 1 377.311 3.393 10 30 GGEEMN COc1cc(Br)ccc1[C@H](C)N[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469248771 566776197 /nfs/dbraw/zinc/77/61/97/566776197.db2.gz MQNQJLGDPSHBMN-NWDGAFQWSA-N 0 1 380.286 3.059 10 30 GGEEMN CSc1cc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)ccn1 ZINC000611231528 566902633 /nfs/dbraw/zinc/90/26/33/566902633.db2.gz UEPBHHHDYDANJR-UHFFFAOYSA-N 0 1 384.280 3.238 10 30 GGEEMN N#Cc1ccc(Br)c(CN2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000492457434 566933062 /nfs/dbraw/zinc/93/30/62/566933062.db2.gz AMIDMJZEQJAYLS-OAHLLOKOSA-N 0 1 376.298 3.155 10 30 GGEEMN CCCN(C)[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000564357289 566967026 /nfs/dbraw/zinc/96/70/26/566967026.db2.gz QZIJVFKPPGRLSB-KRWDZBQOSA-N 0 1 383.945 3.336 10 30 GGEEMN N#Cc1ccccc1OCCN(CCO)Cc1cc(Br)cs1 ZINC000494248010 566978611 /nfs/dbraw/zinc/97/86/11/566978611.db2.gz OKXXOUXMGYYTOC-UHFFFAOYSA-N 0 1 381.295 3.256 10 30 GGEEMN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000471909986 566984762 /nfs/dbraw/zinc/98/47/62/566984762.db2.gz JILPMEJZFNFYPN-UHFFFAOYSA-N 0 1 382.800 3.247 10 30 GGEEMN Cc1ccsc1[C@H](CO)N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000494685322 567016525 /nfs/dbraw/zinc/01/65/25/567016525.db2.gz JDDGQARLPKFSDR-RISCZKNCSA-N 0 1 375.519 3.129 10 30 GGEEMN Cc1ccsc1[C@@H](CO)N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000494685320 567017444 /nfs/dbraw/zinc/01/74/44/567017444.db2.gz JDDGQARLPKFSDR-BXUZGUMPSA-N 0 1 375.519 3.129 10 30 GGEEMN C[C@H](N=c1cc(C#N)c2cc([N+](=O)[O-])ccc2[nH]1)c1ncc(Br)cn1 ZINC000431482232 567084711 /nfs/dbraw/zinc/08/47/11/567084711.db2.gz JOLXVRWTFWFGLS-VIFPVBQESA-N 0 1 399.208 3.162 10 30 GGEEMN N#C[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccc(Br)cc1 ZINC000473675833 567096985 /nfs/dbraw/zinc/09/69/85/567096985.db2.gz NKKBOZKXMMHBSU-HNNXBMFYSA-N 0 1 382.221 3.229 10 30 GGEEMN C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000566389808 567156080 /nfs/dbraw/zinc/15/60/80/567156080.db2.gz LFHFLCPVXMXLKN-CQSZACIVSA-N 0 1 377.897 3.010 10 30 GGEEMN CC1CCN([C@@H](CNS(=O)(=O)CC2(C#N)CCC2)c2cccs2)CC1 ZINC000474584061 567181498 /nfs/dbraw/zinc/18/14/98/567181498.db2.gz WNMMZPMXKKULLF-INIZCTEOSA-N 0 1 381.567 3.134 10 30 GGEEMN Cn1cc(C#N)c(=NC(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)[nH]1 ZINC000589761834 567193732 /nfs/dbraw/zinc/19/37/32/567193732.db2.gz KGSRYJPQWXJLPL-UHFFFAOYSA-N 0 1 378.263 3.432 10 30 GGEEMN C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ncc(Br)cn1 ZINC000590068637 567206571 /nfs/dbraw/zinc/20/65/71/567206571.db2.gz JEKPGFCQZQBHTH-ZDUSSCGKSA-N 0 1 386.297 3.430 10 30 GGEEMN COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c(OC)c1OC ZINC000525239135 567237053 /nfs/dbraw/zinc/23/70/53/567237053.db2.gz KZTUJIGFCPZZKA-UHFFFAOYSA-N 0 1 382.825 3.038 10 30 GGEEMN N#Cc1ccc(OC[C@H](O)CN[C@@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000591744843 567294113 /nfs/dbraw/zinc/29/41/13/567294113.db2.gz RHOYMQNWJADUSE-MLGOLLRUSA-N 0 1 379.243 3.328 10 30 GGEEMN N#C[C@H](c1ccc(Br)cc1)N1CCN(CCC[C@H]2CCOC2)CC1 ZINC000592088781 567312704 /nfs/dbraw/zinc/31/27/04/567312704.db2.gz CUTWPXGVTREBOX-QFBILLFUSA-N 0 1 392.341 3.448 10 30 GGEEMN N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000549520670 567395255 /nfs/dbraw/zinc/39/52/55/567395255.db2.gz YOPNTVUDUAEFIK-JTQLQIEISA-N 0 1 381.788 3.250 10 30 GGEEMN Cc1cc(NS(=O)(=O)c2ccsc2C#N)ccc1OC1CCOCC1 ZINC000593204164 567397039 /nfs/dbraw/zinc/39/70/39/567397039.db2.gz WEGJEKRBBQNLPV-UHFFFAOYSA-N 0 1 378.475 3.287 10 30 GGEEMN CN(C)[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)c1cccs1 ZINC000593385315 567410782 /nfs/dbraw/zinc/41/07/82/567410782.db2.gz SNEWHRNTTLCTFC-HNNXBMFYSA-N 0 1 392.322 3.344 10 30 GGEEMN CN(C)[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)c1ccsc1 ZINC000593401580 567411959 /nfs/dbraw/zinc/41/19/59/567411959.db2.gz BWPIRRDBPUILMR-INIZCTEOSA-N 0 1 392.322 3.344 10 30 GGEEMN N#CCc1ccccc1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000569596725 567416616 /nfs/dbraw/zinc/41/66/16/567416616.db2.gz LEGZQSAHLQMONW-UHFFFAOYSA-N 0 1 396.222 3.224 10 30 GGEEMN C[C@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528388699 567418714 /nfs/dbraw/zinc/41/87/14/567418714.db2.gz IHGKNZDNBDQANC-CRAIPNDOSA-N 0 1 392.341 3.182 10 30 GGEEMN CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccsc1C#N ZINC000593535878 567421912 /nfs/dbraw/zinc/42/19/12/567421912.db2.gz GYCBLXKPULURNX-UHFFFAOYSA-N 0 1 383.926 3.026 10 30 GGEEMN CN1CCC[C@@H](CNS(=O)(=O)c2ccsc2C#N)[C@H]1c1cccs1 ZINC000593550743 567423847 /nfs/dbraw/zinc/42/38/47/567423847.db2.gz IYBMZWUTXYLWNF-LRDDRELGSA-N 0 1 381.548 3.043 10 30 GGEEMN C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)c2ccsc2C#N)CC1 ZINC000593547825 567424325 /nfs/dbraw/zinc/42/43/25/567424325.db2.gz ZRBSEPLUQPCCAH-CQSZACIVSA-N 0 1 375.519 3.124 10 30 GGEEMN CN1CCN(c2ccc(Br)cc2NC(=O)CCCCC#N)CC1 ZINC000593955436 567449754 /nfs/dbraw/zinc/44/97/54/567449754.db2.gz ZSKGVGRPXNWOIZ-UHFFFAOYSA-N 0 1 379.302 3.223 10 30 GGEEMN N#C[C@@H](c1ccc(Cl)cc1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000619784776 567480457 /nfs/dbraw/zinc/48/04/57/567480457.db2.gz QOIGZFRHRQISSL-INIZCTEOSA-N 0 1 375.822 3.491 10 30 GGEEMN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000594760604 567509563 /nfs/dbraw/zinc/50/95/63/567509563.db2.gz UEVQPJSHGKWUBD-WFASDCNBSA-N 0 1 377.535 3.185 10 30 GGEEMN COC[C@](C)(NS(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000479171625 567512970 /nfs/dbraw/zinc/51/29/70/567512970.db2.gz YQYJRUWFIYKMIF-JTQLQIEISA-N 0 1 383.285 3.090 10 30 GGEEMN C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000571056403 567533499 /nfs/dbraw/zinc/53/34/99/567533499.db2.gz PSJAUEYARUSSTO-OKILXGFUSA-N 0 1 380.286 3.372 10 30 GGEEMN N#Cc1ccccc1OC[C@@H](O)CN[C@H]1COc2c1ccc(Cl)c2Cl ZINC000530231104 567585875 /nfs/dbraw/zinc/58/58/75/567585875.db2.gz MDVNPWFHBLZELJ-WFASDCNBSA-N 0 1 379.243 3.328 10 30 GGEEMN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000530231103 567586207 /nfs/dbraw/zinc/58/62/07/567586207.db2.gz MDVNPWFHBLZELJ-SWLSCSKDSA-N 0 1 379.243 3.328 10 30 GGEEMN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000530231102 567586393 /nfs/dbraw/zinc/58/63/93/567586393.db2.gz MDVNPWFHBLZELJ-IUODEOHRSA-N 0 1 379.243 3.328 10 30 GGEEMN N#Cc1ccc(S(=O)(=O)CCNCc2cc(F)cc(Br)c2)cc1 ZINC000572307770 567630268 /nfs/dbraw/zinc/63/02/68/567630268.db2.gz MUNUIXOMZTUDES-UHFFFAOYSA-N 0 1 397.269 3.023 10 30 GGEEMN C[C@H](CNc1c(C#N)cnc2c(Br)cccc21)CN1CCOCC1 ZINC000440646326 567636895 /nfs/dbraw/zinc/63/68/95/567636895.db2.gz KRLYWMZCQHOVFP-CYBMUJFWSA-N 0 1 389.297 3.249 10 30 GGEEMN Cc1nsc(NCc2n[nH]c(-c3ccc(Br)cc3)n2)c1C#N ZINC000572397049 567636995 /nfs/dbraw/zinc/63/69/95/567636995.db2.gz FNDXANPBKJKBRC-UHFFFAOYSA-N 0 1 375.255 3.483 10 30 GGEEMN Cc1nsc(NCc2nc(-c3ccc(Br)cc3)n[nH]2)c1C#N ZINC000572397049 567637001 /nfs/dbraw/zinc/63/70/01/567637001.db2.gz FNDXANPBKJKBRC-UHFFFAOYSA-N 0 1 375.255 3.483 10 30 GGEEMN N#Cc1cnc2c(Br)cccc2c1NCCCCN1CCOCC1 ZINC000440660747 567638441 /nfs/dbraw/zinc/63/84/41/567638441.db2.gz DKJLBVRYQUKQGL-UHFFFAOYSA-N 0 1 389.297 3.393 10 30 GGEEMN C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000459662684 567648894 /nfs/dbraw/zinc/64/88/94/567648894.db2.gz UYOIOAWUIRRKDL-GFCCVEGCSA-N 0 1 391.269 3.416 10 30 GGEEMN N#Cc1ccc(CN2CCC[C@H](C(=O)N3CCCC3)C2)c(Br)c1 ZINC000481061514 567655759 /nfs/dbraw/zinc/65/57/59/567655759.db2.gz RPLJCXDTRIWLQF-INIZCTEOSA-N 0 1 376.298 3.155 10 30 GGEEMN N#CC1CCC(CNS(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000443226587 567741662 /nfs/dbraw/zinc/74/16/62/567741662.db2.gz NQVQIUVPZFAIRJ-UHFFFAOYSA-N 0 1 393.253 3.336 10 30 GGEEMN C=CCn1c(-c2cccc(Br)c2)nnc1N1CCN(CCC)CC1 ZINC000508480235 567749749 /nfs/dbraw/zinc/74/97/49/567749749.db2.gz DQRZDXHCLWAOHK-UHFFFAOYSA-N 0 1 390.329 3.426 10 30 GGEEMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc2ccc(I)cc21 ZINC000598422025 567763967 /nfs/dbraw/zinc/76/39/67/567763967.db2.gz RXHLBECZUOVSFV-TXEJJXNPSA-N 0 1 393.228 3.491 10 30 GGEEMN CC1CC(C#N)(C(=O)Nc2nc3ccc(I)cc3[nH]2)C1 ZINC000598422338 567764596 /nfs/dbraw/zinc/76/45/96/567764596.db2.gz AYJNQPUIOIIDNX-UHFFFAOYSA-N 0 1 380.189 3.046 10 30 GGEEMN C=CCCO[C@H](C)C(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC000598425518 567766201 /nfs/dbraw/zinc/76/62/01/567766201.db2.gz VPPKHSVFYAHRPM-SECBINFHSA-N 0 1 385.205 3.087 10 30 GGEEMN C=CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C2CC2)CC1 ZINC000508886473 567771664 /nfs/dbraw/zinc/77/16/64/567771664.db2.gz AWOJJNBECPORJC-UHFFFAOYSA-N 0 1 388.313 3.178 10 30 GGEEMN N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000598512779 567772433 /nfs/dbraw/zinc/77/24/33/567772433.db2.gz VEPPWFJCJZXIFX-LJQANCHMSA-N 0 1 398.304 3.254 10 30 GGEEMN C=C(C)[C@@H](CC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)OCC ZINC000533680049 567781771 /nfs/dbraw/zinc/78/17/71/567781771.db2.gz RDDBDFMMGQGGCZ-CQSZACIVSA-N 0 1 393.285 3.222 10 30 GGEEMN C=C(C)[C@@H](CC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)OCC ZINC000533680049 567781775 /nfs/dbraw/zinc/78/17/75/567781775.db2.gz RDDBDFMMGQGGCZ-CQSZACIVSA-N 0 1 393.285 3.222 10 30 GGEEMN CC(C)(C#N)C[C@H](O)CNCc1cc(Cl)ccc1I ZINC000598706477 567784279 /nfs/dbraw/zinc/78/42/79/567784279.db2.gz SJTYBQRHOWBZNV-LBPRGKRZSA-N 0 1 392.668 3.335 10 30 GGEEMN N#Cc1ccccc1NC(=O)CCN1CCc2nccc(Br)c2C1 ZINC000598945181 567799797 /nfs/dbraw/zinc/79/97/97/567799797.db2.gz GDCQTFBAVOHYJH-UHFFFAOYSA-N 0 1 385.265 3.103 10 30 GGEEMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CCOc2ccc(CC#N)cc2)C1 ZINC000072304916 570514501 /nfs/dbraw/zinc/51/45/01/570514501.db2.gz XFMGYLCNNJKNSQ-QGZVFWFLSA-N 0 1 397.441 3.254 10 30 GGEEMN C[C@H](NC(=O)[C@H](C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000032888377 570885569 /nfs/dbraw/zinc/88/55/69/570885569.db2.gz IMKCPVOSCADLFP-PMACEKPBSA-N 0 1 390.531 3.332 10 30 GGEEMN C[C@H](NC(=O)[C@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000032888377 570885575 /nfs/dbraw/zinc/88/55/75/570885575.db2.gz IMKCPVOSCADLFP-PMACEKPBSA-N 0 1 390.531 3.332 10 30 GGEEMN C=CCOC[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984850 570911140 /nfs/dbraw/zinc/91/11/40/570911140.db2.gz FICGXYGHXFNTIH-FGZHOGPDSA-N 0 1 380.488 3.245 10 30 GGEEMN C=CCOC[C@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984850 570911142 /nfs/dbraw/zinc/91/11/42/570911142.db2.gz FICGXYGHXFNTIH-FGZHOGPDSA-N 0 1 380.488 3.245 10 30 GGEEMN N#CCOn1c(=O)c2ccccc2nc1N=NCc1ccc(Cl)c(Cl)c1 ZINC000585166479 570994436 /nfs/dbraw/zinc/99/44/36/570994436.db2.gz YSVPQLHKELGLBG-UHFFFAOYSA-N 0 1 388.214 3.101 10 30 GGEEMN N#Cc1ccc(CN2CCCN(C(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000067565850 1409166476 /nfs/dbraw/zinc/16/64/76/1409166476.db2.gz ATPPWNJKVIGEFS-YADHBBJMSA-N 0 1 392.478 3.471 10 30 GGEEMN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000095980238 1410318477 /nfs/dbraw/zinc/31/84/77/1410318477.db2.gz JFDJCSWPCJSYQD-HNNXBMFYSA-N 0 1 390.447 3.266 10 30 GGEEMN C[C@H](Sc1nc(-c2ccccn2)n[nH]1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000117113986 1413001430 /nfs/dbraw/zinc/00/14/30/1413001430.db2.gz DCYXTUUUWMSHQT-BIWSTMPVSA-N 0 1 384.509 3.278 10 30 GGEEMN Cc1ccc(N(CCC#N)C(=O)CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1C ZINC000129842078 1416272740 /nfs/dbraw/zinc/27/27/40/1416272740.db2.gz BOHANJWNGJZYLZ-WIYYLYMNSA-N 0 1 379.508 3.330 10 30 GGEEMN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)CCN1Cc1ccccc1 ZINC000175844033 1427925987 /nfs/dbraw/zinc/92/59/87/1427925987.db2.gz GVIWADLDRNPBRJ-CRAIPNDOSA-N 0 1 387.480 3.029 10 30 GGEEMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)CCN1Cc1ccccc1 ZINC000175844092 1427926020 /nfs/dbraw/zinc/92/60/20/1427926020.db2.gz GVIWADLDRNPBRJ-YJBOKZPZSA-N 0 1 387.480 3.029 10 30 GGEEMN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)CCN1Cc1ccccc1 ZINC000175844075 1427926177 /nfs/dbraw/zinc/92/61/77/1427926177.db2.gz GVIWADLDRNPBRJ-QAPCUYQASA-N 0 1 387.480 3.029 10 30 GGEEMN C[C@H](c1ccccc1)N(C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245837102 1433524408 /nfs/dbraw/zinc/52/44/08/1433524408.db2.gz BMIFLODLAAECGY-IEBWSBKVSA-N 0 1 382.533 3.150 10 30 GGEEMN Cc1c(N=Cc2c(O)ccc3c(C)cc(=O)oc23)c(=O)n(-c2ccccc2)n1C ZINC000252636091 1433863713 /nfs/dbraw/zinc/86/37/13/1433863713.db2.gz XDRJSZPYBMWFCM-UHFFFAOYSA-N 0 1 389.411 3.355 10 30 GGEEMN Cc1cc(NS(=O)(=O)c2cc(C#N)ccc2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000096013528 208254151 /nfs/dbraw/zinc/25/41/51/208254151.db2.gz GUNRQFUKVKUPEG-UHFFFAOYSA-N 0 1 382.401 3.432 10 30 GGEEMN C=CCC[C@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2cccc(F)c2)CC1 ZINC000036340177 518727418 /nfs/dbraw/zinc/72/74/18/518727418.db2.gz NYUCISYUEGSYAO-NRFANRHFSA-N 0 1 398.526 3.272 10 30 GGEEMN CCOC(=O)C(N=Nc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012625482 520396105 /nfs/dbraw/zinc/39/61/05/520396105.db2.gz WRBISAJXHGRSOW-HKWRFOASSA-N 0 1 375.768 3.462 10 30 GGEEMN O=C(c1ccoc1)N1CC[C@@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000096309960 526856621 /nfs/dbraw/zinc/85/66/21/526856621.db2.gz WEKQSNDHUZMXGY-QFIPXVFZSA-N 0 1 387.443 3.396 10 30 GGEEMN N#Cc1cc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)ccc1Cl ZINC000055575514 564624297 /nfs/dbraw/zinc/62/42/97/564624297.db2.gz GHYZMKUFTDKAMX-UHFFFAOYSA-N 0 1 375.837 3.139 10 30 GGEEMN C=CCOc1c(Br)cc(CN2CCCC[C@H]2CC(N)=O)cc1OC ZINC000092588723 564878802 /nfs/dbraw/zinc/87/88/02/564878802.db2.gz QPVSBCIPEDAUEV-AWEZNQCLSA-N 0 1 397.313 3.252 10 30 GGEEMN Cc1[nH]nc2cc(NS(=O)(=O)c3cc(Br)cc(C#N)c3)ccc12 ZINC000093909318 564892992 /nfs/dbraw/zinc/89/29/92/564892992.db2.gz NYVSMJHXNXGTPV-UHFFFAOYSA-N 0 1 391.250 3.306 10 30 GGEEMN N#Cc1ccc(OC2CN(C(=O)c3[nH]nc4ccc(Br)cc43)C2)cc1 ZINC000184330880 565129898 /nfs/dbraw/zinc/12/98/98/565129898.db2.gz UZZDJLNXZSVOES-UHFFFAOYSA-N 0 1 397.232 3.100 10 30 GGEEMN N#CCc1cccc(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)c1 ZINC000171222532 565419009 /nfs/dbraw/zinc/41/90/09/565419009.db2.gz BSQGWBPOXZSKQP-UHFFFAOYSA-N 0 1 396.248 3.230 10 30 GGEEMN N#CCc1cccc(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000171222532 565419013 /nfs/dbraw/zinc/41/90/13/565419013.db2.gz BSQGWBPOXZSKQP-UHFFFAOYSA-N 0 1 396.248 3.230 10 30 GGEEMN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1ccc(Br)cc1OC ZINC000190458737 565533245 /nfs/dbraw/zinc/53/32/45/565533245.db2.gz GGIDHMJYKPIGKZ-CHWSQXEVSA-N 0 1 382.302 3.116 10 30 GGEEMN COc1ccc(-c2n[nH]c(Sc3cnc(C#N)cn3)n2)cc1Br ZINC000302624894 565547076 /nfs/dbraw/zinc/54/70/76/565547076.db2.gz AQPPKYKTCFLHNU-UHFFFAOYSA-N 0 1 389.238 3.056 10 30 GGEEMN C[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000386483731 565547962 /nfs/dbraw/zinc/54/79/62/565547962.db2.gz WNQPCBUMJBCWPQ-AWEZNQCLSA-N 0 1 377.897 3.010 10 30 GGEEMN Cc1ncc(S(=O)(=O)Nc2ccc(Cl)c(Br)c2)cc1C#N ZINC000387016957 565548720 /nfs/dbraw/zinc/54/87/20/565548720.db2.gz YQNGQWLTWZFFOL-UHFFFAOYSA-N 0 1 386.658 3.478 10 30 GGEEMN C[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000311000513 565578968 /nfs/dbraw/zinc/57/89/68/565578968.db2.gz JMRRMYJTYBOEER-AWEZNQCLSA-N 0 1 377.897 3.010 10 30 GGEEMN CCc1cc(Br)ccc1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000319698747 565599580 /nfs/dbraw/zinc/59/95/80/565599580.db2.gz PHHUCWXHMFAYRW-UHFFFAOYSA-N 0 1 380.267 3.387 10 30 GGEEMN CC1(C)CCCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)[C@H]1C#N ZINC000408440504 565609741 /nfs/dbraw/zinc/60/97/41/565609741.db2.gz CNDDPDKALYRMNV-HNNXBMFYSA-N 0 1 388.265 3.445 10 30 GGEEMN Cc1c(Cl)cc(F)c(NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c1F ZINC000331282347 565751592 /nfs/dbraw/zinc/75/15/92/565751592.db2.gz DAONALVNQNJZPV-JTQLQIEISA-N 0 1 375.847 3.249 10 30 GGEEMN O=C(NC[C@@H]1CCCCN1CCO)c1cccc(Br)c1Cl ZINC000331331936 565755617 /nfs/dbraw/zinc/75/56/17/565755617.db2.gz OVSRWLDJVVBQDC-NSHDSACASA-N 0 1 375.694 3.254 10 30 GGEEMN C[C@](C#N)(NC(=O)CN(Cc1cccc(Br)c1)CC1CC1)C1CC1 ZINC000194268460 565804846 /nfs/dbraw/zinc/80/48/46/565804846.db2.gz HCCCXUYGGRAFAJ-LJQANCHMSA-N 0 1 390.325 3.470 10 30 GGEEMN N#Cc1ccc(Br)cc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000414139068 565897757 /nfs/dbraw/zinc/89/77/57/565897757.db2.gz HXUJAJBCPPJPFV-GOSISDBHSA-N 0 1 387.277 3.119 10 30 GGEEMN COc1ccc(CN[C@](C)(CO)c2ccc(Br)cc2)cc1C#N ZINC000286265889 565950469 /nfs/dbraw/zinc/95/04/69/565950469.db2.gz BDFFQPMTSHVSSB-GOSISDBHSA-N 0 1 375.266 3.327 10 30 GGEEMN C[C@@H]1CCCc2nc(S(=O)(=O)Nc3cccc(C#N)c3Br)cn21 ZINC000416941940 566114987 /nfs/dbraw/zinc/11/49/87/566114987.db2.gz CQOBSPGWXHZTSV-SNVBAGLBSA-N 0 1 395.282 3.215 10 30 GGEEMN N#Cc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c(Br)c1 ZINC000181186776 566122950 /nfs/dbraw/zinc/12/29/50/566122950.db2.gz OBTGCXIKWQCLOZ-QAPCUYQASA-N 0 1 388.309 3.296 10 30 GGEEMN N#Cc1ccc(NC(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)cc1Br ZINC000367581563 566208066 /nfs/dbraw/zinc/20/80/66/566208066.db2.gz WAGJEKDRTOHBJY-OAHLLOKOSA-N 0 1 397.236 3.350 10 30 GGEEMN C=CCOc1c(Br)cc(CN2CC[C@@H]3COC[C@@H]3C2)cc1OC ZINC000668703906 566258950 /nfs/dbraw/zinc/25/89/50/566258950.db2.gz BBGLMFPDNSOTBZ-CABCVRRESA-N 0 1 382.298 3.491 10 30 GGEEMN COc1cc(Br)ccc1[C@@H]1CCCN1CCC(=O)N(C)CCC#N ZINC000599573235 566275261 /nfs/dbraw/zinc/27/52/61/566275261.db2.gz NJYGPLLHWQRKOY-INIZCTEOSA-N 0 1 394.313 3.357 10 30 GGEEMN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599625992 566280446 /nfs/dbraw/zinc/28/04/46/566280446.db2.gz BVUYPJUSZDEQLI-GUYCJALGSA-N 0 1 385.339 3.194 10 30 GGEEMN C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1CC(=O)NC1(C#N)CCC1 ZINC000599651971 566281774 /nfs/dbraw/zinc/28/17/74/566281774.db2.gz JTKTWODDHVWDIR-DZGCQCFKSA-N 0 1 376.298 3.189 10 30 GGEEMN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000599651378 566282265 /nfs/dbraw/zinc/28/22/65/566282265.db2.gz GNBZYSQUJYPEAY-FRIZHTMISA-N 0 1 390.325 3.435 10 30 GGEEMN Cc1onc(CC(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)c1C#N ZINC000600473264 566340801 /nfs/dbraw/zinc/34/08/01/566340801.db2.gz VAAHRTQUQBNPAL-INIZCTEOSA-N 0 1 381.263 3.123 10 30 GGEEMN CC[C@H](C)N[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccco1 ZINC000510382463 566379992 /nfs/dbraw/zinc/37/99/92/566379992.db2.gz UFDXTSATLFJWMB-BLLLJJGKSA-N 0 1 381.885 3.212 10 30 GGEEMN CC[C@@H](C)N[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccco1 ZINC000510382466 566380045 /nfs/dbraw/zinc/38/00/45/566380045.db2.gz UFDXTSATLFJWMB-MLGOLLRUSA-N 0 1 381.885 3.212 10 30 GGEEMN CO[C@@H]1CCOc2c(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cccc21 ZINC000447786517 566430888 /nfs/dbraw/zinc/43/08/88/566430888.db2.gz GRLAQHNMSYNZQX-MRXNPFEDSA-N 0 1 378.837 3.482 10 30 GGEEMN N#CC1(NC(=O)c2cc(Br)c[nH]2)CCN(Cc2ccccc2)CC1 ZINC000537596933 566454970 /nfs/dbraw/zinc/45/49/70/566454970.db2.gz IEPSVSNAEGMWTK-UHFFFAOYSA-N 0 1 387.281 3.065 10 30 GGEEMN Cc1c(NS(=O)(=O)c2cccc(C#N)c2)cc(Br)cc1[N+](=O)[O-] ZINC000485398600 566495829 /nfs/dbraw/zinc/49/58/29/566495829.db2.gz LSTJKHQAUQMGPB-UHFFFAOYSA-N 0 1 396.222 3.338 10 30 GGEEMN Cc1cc(S(=O)(=O)NCCN[C@H](C)c2ccc(C#N)cc2F)c(C)s1 ZINC000512662741 566549509 /nfs/dbraw/zinc/54/95/09/566549509.db2.gz ZYTVCVHVDYHIEQ-GFCCVEGCSA-N 0 1 381.498 3.005 10 30 GGEEMN CC(C)(C)N1CCc2nc(NC(=O)c3ncc(C#N)cc3Cl)sc2C1 ZINC000425084334 566602233 /nfs/dbraw/zinc/60/22/33/566602233.db2.gz QZRZGQDUZRYTME-UHFFFAOYSA-N 0 1 375.885 3.472 10 30 GGEEMN CC(C)[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)C(F)(F)F ZINC000561535382 566716447 /nfs/dbraw/zinc/71/64/47/566716447.db2.gz JKDIJDBTLRCKFP-NSHDSACASA-N 0 1 385.205 3.186 10 30 GGEEMN Cc1ncc(S(=O)(=O)Nc2cc(F)c(Br)c(F)c2)cc1C#N ZINC000427346654 566767775 /nfs/dbraw/zinc/76/77/75/566767775.db2.gz KEQOZBPYULCWFH-UHFFFAOYSA-N 0 1 388.193 3.103 10 30 GGEEMN Cc1nccc(NCc2cn(CCC#N)nc2-c2ccncc2)c1Br ZINC000562411279 566790459 /nfs/dbraw/zinc/79/04/59/566790459.db2.gz PYKQRQCQRQONGY-UHFFFAOYSA-N 0 1 397.280 3.359 10 30 GGEEMN Cc1cc(Br)cn2cc(CCNCc3nc(C#N)cs3)nc12 ZINC000582032171 566824517 /nfs/dbraw/zinc/82/45/17/566824517.db2.gz VUPCAQCRYUAOTD-UHFFFAOYSA-N 0 1 376.283 3.066 10 30 GGEEMN N#Cc1ccc(Br)c(CN2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000492457432 566933891 /nfs/dbraw/zinc/93/38/91/566933891.db2.gz AMIDMJZEQJAYLS-HNNXBMFYSA-N 0 1 376.298 3.155 10 30 GGEEMN Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000633728703 566984031 /nfs/dbraw/zinc/98/40/31/566984031.db2.gz AGSMKQZATNHVAM-UHFFFAOYSA-N 0 1 395.235 3.495 10 30 GGEEMN C[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)N(C)Cc1ccccc1 ZINC000520386405 567001121 /nfs/dbraw/zinc/00/11/21/567001121.db2.gz CJUXMLKWGYKWFQ-CQSZACIVSA-N 0 1 377.897 3.010 10 30 GGEEMN Cc1ccsc1[C@H](CO)N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000494685321 567017107 /nfs/dbraw/zinc/01/71/07/567017107.db2.gz JDDGQARLPKFSDR-FZMZJTMJSA-N 0 1 375.519 3.129 10 30 GGEEMN N#Cc1csc(CNC[C@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000565083586 567035704 /nfs/dbraw/zinc/03/57/04/567035704.db2.gz VXRIOBWWECFDQD-GFCCVEGCSA-N 0 1 377.311 3.393 10 30 GGEEMN C=C(C)[C@@H](CO)N(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000682372855 567039806 /nfs/dbraw/zinc/03/98/06/567039806.db2.gz WWYKIFMIDWQKGB-DOTOQJQBSA-N 0 1 384.314 3.376 10 30 GGEEMN C=C(C)[C@@H](CO)N(C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000682372856 567039880 /nfs/dbraw/zinc/03/98/80/567039880.db2.gz WWYKIFMIDWQKGB-NVXWUHKLSA-N 0 1 384.314 3.376 10 30 GGEEMN Cn1cc(C#N)cc1C(=O)Nc1cc(O)c(Br)cc1Br ZINC000431443497 567081924 /nfs/dbraw/zinc/08/19/24/567081924.db2.gz FKJGPTCXPOZHCY-UHFFFAOYSA-N 0 1 399.042 3.380 10 30 GGEEMN COC(=O)C[C@](C)(NCc1ccnc(C#N)c1)c1ccc(Br)cc1 ZINC000586782355 567096865 /nfs/dbraw/zinc/09/68/65/567096865.db2.gz JAFFVGHMVLOCDE-SFHVURJKSA-N 0 1 388.265 3.284 10 30 GGEEMN CC1CCN([C@H](CNS(=O)(=O)CC2(C#N)CCC2)c2cccs2)CC1 ZINC000474584062 567180974 /nfs/dbraw/zinc/18/09/74/567180974.db2.gz WNMMZPMXKKULLF-MRXNPFEDSA-N 0 1 381.567 3.134 10 30 GGEEMN C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000474588394 567181537 /nfs/dbraw/zinc/18/15/37/567181537.db2.gz YPOHLTSRXCTKSZ-ACJLOTCBSA-N 0 1 377.897 3.181 10 30 GGEEMN N#Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2O)ccc1Cl ZINC000525238487 567236778 /nfs/dbraw/zinc/23/67/78/567236778.db2.gz LCPKURGRPOVYHU-UHFFFAOYSA-N 0 1 387.642 3.481 10 30 GGEEMN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCc3c2ccc(Cl)c3Cl)nc1 ZINC000567692608 567269069 /nfs/dbraw/zinc/26/90/69/567269069.db2.gz YIEPZNFYKDIWPU-HNNXBMFYSA-N 0 1 396.299 3.311 10 30 GGEEMN N#Cc1ccc(S(=O)(=O)N[C@H](c2nccs2)C(F)(F)F)c(Cl)c1 ZINC000549524730 567396224 /nfs/dbraw/zinc/39/62/24/567396224.db2.gz OVDXZGXCTQZESF-SNVBAGLBSA-N 0 1 381.788 3.250 10 30 GGEEMN CC(C)(C#N)CCS(=O)(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000593211160 567397905 /nfs/dbraw/zinc/39/79/05/567397905.db2.gz PDYUMMAWUCWZGW-UHFFFAOYSA-N 0 1 377.857 3.079 10 30 GGEEMN Cc1[nH]nc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1Br ZINC000593280198 567403331 /nfs/dbraw/zinc/40/33/31/567403331.db2.gz GGYLGPHPAZMURK-UHFFFAOYSA-N 0 1 383.271 3.083 10 30 GGEEMN C[C@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528388701 567417982 /nfs/dbraw/zinc/41/79/82/567417982.db2.gz IHGKNZDNBDQANC-QAPCUYQASA-N 0 1 392.341 3.182 10 30 GGEEMN N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H](c2nccs2)C(F)(F)F)c1 ZINC000549912409 567418346 /nfs/dbraw/zinc/41/83/46/567418346.db2.gz OWQVEIVSXPJENH-SNVBAGLBSA-N 0 1 381.788 3.250 10 30 GGEEMN C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528388704 567418610 /nfs/dbraw/zinc/41/86/10/567418610.db2.gz IHGKNZDNBDQANC-YJBOKZPZSA-N 0 1 392.341 3.182 10 30 GGEEMN CSc1cc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)ccn1 ZINC000618975528 567428117 /nfs/dbraw/zinc/42/81/17/567428117.db2.gz BVFZAGRTLYUCFR-UHFFFAOYSA-N 0 1 384.280 3.238 10 30 GGEEMN N#CC1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000593619586 567428356 /nfs/dbraw/zinc/42/83/56/567428356.db2.gz CSPZTGZCUMFMCA-UHFFFAOYSA-N 0 1 378.237 3.264 10 30 GGEEMN N#Cc1ccc(CN2CC3(CCOCC3)CC[C@@H]2CO)c(Br)c1 ZINC000528645745 567444462 /nfs/dbraw/zinc/44/44/62/567444462.db2.gz PRDANDSBYBLZOF-MRXNPFEDSA-N 0 1 379.298 3.074 10 30 GGEEMN N#Cc1ccc(C2(NCc3cc(Cl)cc(S(N)(=O)=O)c3)CCC2)cc1 ZINC000594033097 567453529 /nfs/dbraw/zinc/45/35/29/567453529.db2.gz HWUJKPFBQLFZGK-UHFFFAOYSA-N 0 1 375.881 3.028 10 30 GGEEMN N#Cc1ccc(O[C@@H]2CCN(Cc3nc4ccc(Br)cc4[nH]3)C2)nc1 ZINC000570264204 567472179 /nfs/dbraw/zinc/47/21/79/567472179.db2.gz MYJUWEQEAAJPQE-CQSZACIVSA-N 0 1 398.264 3.245 10 30 GGEEMN Cc1cc(Br)c(CNC[C@@H](O)COc2ccc(C#N)cc2)s1 ZINC000594733499 567504584 /nfs/dbraw/zinc/50/45/84/567504584.db2.gz WKIYCOIETHDFLL-CYBMUJFWSA-N 0 1 381.295 3.220 10 30 GGEEMN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000594760601 567508306 /nfs/dbraw/zinc/50/83/06/567508306.db2.gz UEVQPJSHGKWUBD-DOMZBBRYSA-N 0 1 377.535 3.185 10 30 GGEEMN Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551477841 567510379 /nfs/dbraw/zinc/51/03/79/567510379.db2.gz VOESBZFSXDBWFB-UHFFFAOYSA-N 0 1 396.222 3.338 10 30 GGEEMN C=CC(C)(C)CNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000458429252 567547561 /nfs/dbraw/zinc/54/75/61/567547561.db2.gz OLBFXYUQDIBQAB-UHFFFAOYSA-N 0 1 378.274 3.246 10 30 GGEEMN C=CC(C)(C)CNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000458429252 567547565 /nfs/dbraw/zinc/54/75/65/567547565.db2.gz OLBFXYUQDIBQAB-UHFFFAOYSA-N 0 1 378.274 3.246 10 30 GGEEMN C=CCCn1cc(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)nn1 ZINC000530031997 567563203 /nfs/dbraw/zinc/56/32/03/567563203.db2.gz DSHXHOFSRVJDIT-HNNXBMFYSA-N 0 1 382.295 3.194 10 30 GGEEMN Cc1nnc(NC(=O)C(C#N)c2nc(-c3c(F)cccc3F)cs2)s1 ZINC000505426219 567575788 /nfs/dbraw/zinc/57/57/88/567575788.db2.gz GKVWLPHMHLANCO-MRVPVSSYSA-N 0 1 377.401 3.494 10 30 GGEEMN N#Cc1ccccc1OC[C@H](O)CN[C@H]1COc2c1ccc(Cl)c2Cl ZINC000530231101 567586486 /nfs/dbraw/zinc/58/64/86/567586486.db2.gz MDVNPWFHBLZELJ-DOMZBBRYSA-N 0 1 379.243 3.328 10 30 GGEEMN CCOC(=O)c1csc(C(C#N)C(=O)Nc2cccc(Br)c2)n1 ZINC000505751738 567594055 /nfs/dbraw/zinc/59/40/55/567594055.db2.gz WISQSKBSYCJKJZ-LLVKDONJSA-N 0 1 394.250 3.328 10 30 GGEEMN N#Cc1cccc(CC(=O)Nc2nc(-c3ccccc3Br)n[nH]2)c1 ZINC000530913601 567631329 /nfs/dbraw/zinc/63/13/29/567631329.db2.gz IPKRAVHMHJIRNF-UHFFFAOYSA-N 0 1 382.221 3.287 10 30 GGEEMN Cc1nsc(NC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)c1C#N ZINC000459556624 567638401 /nfs/dbraw/zinc/63/84/01/567638401.db2.gz BTUCRHOSJIZGNT-UHFFFAOYSA-N 0 1 375.420 3.204 10 30 GGEEMN CCOC(=O)c1sc(NS(=O)(=O)Cc2ccc(CC#N)cc2)cc1C ZINC000573206862 567696893 /nfs/dbraw/zinc/69/68/93/567696893.db2.gz QNPWYUJFYGNCIA-UHFFFAOYSA-N 0 1 378.475 3.241 10 30 GGEEMN C=CCn1c(-c2ccc(Br)s2)nnc1N1CCN(CCC)CC1 ZINC000508830430 567769051 /nfs/dbraw/zinc/76/90/51/567769051.db2.gz YSOUURJHEJRRJX-UHFFFAOYSA-N 0 1 396.358 3.487 10 30 GGEEMN O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000053526514 570325274 /nfs/dbraw/zinc/32/52/74/570325274.db2.gz VCEMBBDBGUJMOH-LBPRGKRZSA-N 0 1 382.449 3.069 10 30 GGEEMN C=CCOC[C@H](O)CN(Cc1ccccc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036146903 570549324 /nfs/dbraw/zinc/54/93/24/570549324.db2.gz FICGXYGHXFNTIH-YADHBBJMSA-N 0 1 380.488 3.245 10 30 GGEEMN COC1(c2nc(-c3ccccn3)no2)CCN(Cc2cc(C#N)cs2)CC1 ZINC000583615898 570801081 /nfs/dbraw/zinc/80/10/81/570801081.db2.gz LFITYKYNVTULQN-UHFFFAOYSA-N 0 1 381.461 3.202 10 30 GGEEMN N#Cc1ccc(CN2CCC[C@H](c3nn(-c4ccccc4)cc3C(N)=O)C2)s1 ZINC000583621441 570801884 /nfs/dbraw/zinc/80/18/84/570801884.db2.gz KOXPJZADIZRPIV-HNNXBMFYSA-N 0 1 391.500 3.284 10 30 GGEEMN O=c1c(C=[NH+]Cc2ccco2)c(C(F)(F)F)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000102778083 570861610 /nfs/dbraw/zinc/86/16/10/570861610.db2.gz ZSNRFTKISJESAM-UKWGHVSLSA-N 0 1 380.282 3.305 10 30 GGEEMN C=CCN(C[C@H](O)COC(C)(C)C)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983007 570911838 /nfs/dbraw/zinc/91/18/38/570911838.db2.gz QOTMKMPMMABWMU-ZWKOTPCHSA-N 0 1 380.916 3.497 10 30 GGEEMN CCOc1cc(C=Nn2cnnc2SCc2ccccc2)cc([N+](=O)[O-])c1O ZINC000252476847 570965360 /nfs/dbraw/zinc/96/53/60/570965360.db2.gz CKNUFLHRUSFLMV-UHFFFAOYSA-N 0 1 399.432 3.465 10 30 GGEEMN N#Cc1c(=O)[nH]c(SCC(=O)Nc2cccc(Cl)c2)nc1-c1ccco1 ZINC000008578781 1398841218 /nfs/dbraw/zinc/84/12/18/1398841218.db2.gz GZZLHIZFGQDPLE-UHFFFAOYSA-N 0 1 386.820 3.286 10 30 GGEEMN C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1c(F)ccc(C)c1F)C2 ZINC000014751286 1399117786 /nfs/dbraw/zinc/11/77/86/1399117786.db2.gz BTKAPKHUNLFGAK-AWEZNQCLSA-N 0 1 388.462 3.005 10 30 GGEEMN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000095980239 1410318207 /nfs/dbraw/zinc/31/82/07/1410318207.db2.gz JFDJCSWPCJSYQD-OAHLLOKOSA-N 0 1 390.447 3.266 10 30 GGEEMN O=C(NCCNC(c1ccc(F)cc1)c1ccc(F)cc1)C1N=CC=CC1=O ZINC000180898560 1430096962 /nfs/dbraw/zinc/09/69/62/1430096962.db2.gz BCZGZVXFYNHIBC-MRCUWXFGSA-N 0 1 383.398 3.170 10 30 GGEEMN C=CCOC[C@@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000225099200 1433366852 /nfs/dbraw/zinc/36/68/52/1433366852.db2.gz LEKWEXHKYFYHGV-FCHUYYIVSA-N 0 1 398.478 3.384 10 30 GGEEMN C[C@@H](c1ccccc1)N(C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245837109 1433524213 /nfs/dbraw/zinc/52/42/13/1433524213.db2.gz BMIFLODLAAECGY-PKOBYXMFSA-N 0 1 382.533 3.150 10 30 GGEEMN CC(C)[C@H]1CN(C(=O)c2ccc(C#N)nc2)CCCN1Cc1ccc(F)cc1 ZINC000072144771 211076499 /nfs/dbraw/zinc/07/64/99/211076499.db2.gz CSWFQFVMIQYPRB-OAQYLSRUSA-N 0 1 380.467 3.465 10 30 GGEEMN C=CCC[C@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2ccccc2C)CC1 ZINC000036340123 518727176 /nfs/dbraw/zinc/72/71/76/518727176.db2.gz FKUVTVBBECQGHP-QFIPXVFZSA-N 0 1 394.563 3.442 10 30 GGEEMN C=CCn1nc(C(=O)[O-])c2c1CC[C@H]([N@@H+](C)Cc1cccc3cnccc31)C2 ZINC000067740491 519289771 /nfs/dbraw/zinc/28/97/71/519289771.db2.gz LTHZLWCAPCXOIR-KRWDZBQOSA-N 0 1 376.460 3.305 10 30 GGEEMN COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCOC3)C2=O)cc1OC ZINC000094993450 523421830 /nfs/dbraw/zinc/42/18/30/523421830.db2.gz APWMNEKBJYSWPE-JAIQZWGSSA-N 0 1 397.427 3.205 10 30 GGEEMN Cc1cc(C#N)ccc1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000119314065 564264688 /nfs/dbraw/zinc/26/46/88/564264688.db2.gz GGHWVVKEFTYAFY-UHFFFAOYSA-N 0 1 396.248 3.344 10 30 GGEEMN Cc1cc(C#N)ccc1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000119314065 564264692 /nfs/dbraw/zinc/26/46/92/564264692.db2.gz GGHWVVKEFTYAFY-UHFFFAOYSA-N 0 1 396.248 3.344 10 30 GGEEMN COCCOc1cc(C)ccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055648786 564628698 /nfs/dbraw/zinc/62/86/98/564628698.db2.gz XACPDKOEEYXIQV-UHFFFAOYSA-N 0 1 380.853 3.346 10 30 GGEEMN CN1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)s2)[C@H]1c1cccs1 ZINC000373735623 565299332 /nfs/dbraw/zinc/29/93/32/565299332.db2.gz ILTZJNKRAUBILN-WBMJQRKESA-N 0 1 381.548 3.043 10 30 GGEEMN C=C[C@@](C)(CCOC)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000187688899 565349599 /nfs/dbraw/zinc/34/95/99/565349599.db2.gz KZMOSXFFGUIZGX-KRWDZBQOSA-N 0 1 393.285 3.079 10 30 GGEEMN C=C[C@@](C)(CCOC)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000187688899 565349607 /nfs/dbraw/zinc/34/96/07/565349607.db2.gz KZMOSXFFGUIZGX-KRWDZBQOSA-N 0 1 393.285 3.079 10 30 GGEEMN N#CC1(NC(=O)c2ccc(Br)cn2)CCN(Cc2ccccc2)CC1 ZINC000374905390 565358997 /nfs/dbraw/zinc/35/89/97/565358997.db2.gz YAVONBQONOLDGQ-UHFFFAOYSA-N 0 1 399.292 3.132 10 30 GGEEMN N#Cc1cc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)ccc1Cl ZINC000171180005 565415370 /nfs/dbraw/zinc/41/53/70/565415370.db2.gz CNBFTGFILBFNOW-UHFFFAOYSA-N 0 1 385.228 3.437 10 30 GGEEMN Cc1ncc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1C#N ZINC000314128585 565585913 /nfs/dbraw/zinc/58/59/13/565585913.db2.gz JYTCWDXIFWXIKH-UHFFFAOYSA-N 0 1 386.658 3.478 10 30 GGEEMN Cc1cc(Br)cc(C)c1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000319846979 565600880 /nfs/dbraw/zinc/60/08/80/565600880.db2.gz FNNHHCZQYJXUDZ-UHFFFAOYSA-N 0 1 380.267 3.442 10 30 GGEEMN CC1(C)CCCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)[C@@H]1C#N ZINC000408440505 565609952 /nfs/dbraw/zinc/60/99/52/565609952.db2.gz CNDDPDKALYRMNV-OAHLLOKOSA-N 0 1 388.265 3.445 10 30 GGEEMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H]1CCOc2c(Br)cccc21 ZINC000409848925 565643262 /nfs/dbraw/zinc/64/32/62/565643262.db2.gz FYYZWCUMRLJFGT-CJNGLKHVSA-N 0 1 379.298 3.451 10 30 GGEEMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409848927 565643304 /nfs/dbraw/zinc/64/33/04/565643304.db2.gz FYYZWCUMRLJFGT-CZUORRHYSA-N 0 1 379.298 3.451 10 30 GGEEMN O=C(NC[C@@H]1CCCCN1CCO)c1cc(F)c(Br)cc1Cl ZINC000331335051 565755323 /nfs/dbraw/zinc/75/53/23/565755323.db2.gz PYBAZYXBZUNNJK-JTQLQIEISA-N 0 1 393.684 3.393 10 30 GGEEMN O=C(NC[C@@H]1CCCCN1CCO)c1cc(Cl)ccc1Br ZINC000331353263 565756146 /nfs/dbraw/zinc/75/61/46/565756146.db2.gz ZXOXYASJVMWUQE-LBPRGKRZSA-N 0 1 375.694 3.254 10 30 GGEEMN O=C(NC[C@H]1CCCCN1CCO)c1cc(Cl)ccc1Br ZINC000331353262 565756721 /nfs/dbraw/zinc/75/67/21/565756721.db2.gz ZXOXYASJVMWUQE-GFCCVEGCSA-N 0 1 375.694 3.254 10 30 GGEEMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000176795079 565804388 /nfs/dbraw/zinc/80/43/88/565804388.db2.gz GOUHPGHJAFVWJV-UHFFFAOYSA-N 0 1 383.926 3.026 10 30 GGEEMN C[C@@](C#N)(NC(=O)CN(Cc1cccc(Br)c1)CC1CC1)C1CC1 ZINC000194268473 565804894 /nfs/dbraw/zinc/80/48/94/565804894.db2.gz HCCCXUYGGRAFAJ-IBGZPJMESA-N 0 1 390.325 3.470 10 30 GGEEMN C[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000176884583 565811580 /nfs/dbraw/zinc/81/15/80/565811580.db2.gz BMSQZFIXTBHWBO-ZDUSSCGKSA-N 0 1 393.306 3.445 10 30 GGEEMN COc1cc(CN[C@@](C)(CO)c2ccc(Br)cc2)ccc1C#N ZINC000285437854 565907001 /nfs/dbraw/zinc/90/70/01/565907001.db2.gz IBWVLQKAVUSPQA-SFHVURJKSA-N 0 1 375.266 3.327 10 30 GGEEMN C=CCOc1c(Br)cc(CNC2(C(=O)N(C)C)CC2)cc1OCC ZINC000414484951 565941462 /nfs/dbraw/zinc/94/14/62/565941462.db2.gz KHFPQTCMERFVCP-UHFFFAOYSA-N 0 1 397.313 3.123 10 30 GGEEMN C=CCn1c(-c2ccccc2Br)nnc1N1CCN(C2CC2)CC1 ZINC000508960264 566252106 /nfs/dbraw/zinc/25/21/06/566252106.db2.gz JFGNZSRLJJLQKV-UHFFFAOYSA-N 0 1 388.313 3.178 10 30 GGEEMN CN(Cc1cc(Br)ccc1F)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599273004 566252523 /nfs/dbraw/zinc/25/25/23/566252523.db2.gz UVSXBPNGSOKWPF-OAHLLOKOSA-N 0 1 385.277 3.091 10 30 GGEEMN C[C@H]1Cc2ccc(Br)cc2CN1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599350881 566254467 /nfs/dbraw/zinc/25/44/67/566254467.db2.gz BHFXZUYXYXOMBS-KBXCAEBGSA-N 0 1 393.325 3.267 10 30 GGEEMN C[C@@H]1Cc2ccc(Br)cc2CN1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599350909 566255532 /nfs/dbraw/zinc/25/55/32/566255532.db2.gz BHFXZUYXYXOMBS-RDTXWAMCSA-N 0 1 393.325 3.267 10 30 GGEEMN C=CCOc1c(Br)cc(CN2CC[C@H]3COC[C@@H]3C2)cc1OC ZINC000668703907 566258478 /nfs/dbraw/zinc/25/84/78/566258478.db2.gz BBGLMFPDNSOTBZ-GJZGRUSLSA-N 0 1 382.298 3.491 10 30 GGEEMN Cn1cc(C#N)cc1-c1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1 ZINC000556328105 566284469 /nfs/dbraw/zinc/28/44/69/566284469.db2.gz NCFWEEPYCJARDR-UHFFFAOYSA-N 0 1 396.208 3.161 10 30 GGEEMN CCC(C#N)(CC)C(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC000600111431 566316449 /nfs/dbraw/zinc/31/64/49/566316449.db2.gz NCIPNSYUIAPHHN-UHFFFAOYSA-N 0 1 382.205 3.436 10 30 GGEEMN CC1(N2CCOCC2)CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000600411605 566337804 /nfs/dbraw/zinc/33/78/04/566337804.db2.gz RMAYNDFJSFIPBN-UHFFFAOYSA-N 0 1 382.291 3.192 10 30 GGEEMN Cc1onc(CC(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)c1C#N ZINC000600473266 566340716 /nfs/dbraw/zinc/34/07/16/566340716.db2.gz VAAHRTQUQBNPAL-MRXNPFEDSA-N 0 1 381.263 3.123 10 30 GGEEMN CN(C)C[C@H](NC(=O)Cc1ccc(C#N)nc1)c1ccc(Cl)c(Cl)c1 ZINC000600473115 566340762 /nfs/dbraw/zinc/34/07/62/566340762.db2.gz QVHRMVYSCCKZTB-KRWDZBQOSA-N 0 1 377.275 3.222 10 30 GGEEMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@H]2CCc3cc(Br)ccc32)[nH]1 ZINC000576520115 566353321 /nfs/dbraw/zinc/35/33/21/566353321.db2.gz KOLPESUXFVXAPX-HNNXBMFYSA-N 0 1 387.281 3.363 10 30 GGEEMN N#CC1(C[C@@H](O)CNCc2ccc(Cl)cc2I)CC1 ZINC000600735931 566360447 /nfs/dbraw/zinc/36/04/47/566360447.db2.gz WKAVVLKHWMLAIW-GFCCVEGCSA-N 0 1 390.652 3.089 10 30 GGEEMN C=CCN(C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)C1CC1 ZINC000536804132 566403355 /nfs/dbraw/zinc/40/33/55/566403355.db2.gz ZIZRCPCAHFTFEI-UHFFFAOYSA-N 0 1 376.258 3.094 10 30 GGEEMN C=CCN(C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)C1CC1 ZINC000536804132 566403360 /nfs/dbraw/zinc/40/33/60/566403360.db2.gz ZIZRCPCAHFTFEI-UHFFFAOYSA-N 0 1 376.258 3.094 10 30 GGEEMN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000486570413 566599532 /nfs/dbraw/zinc/59/95/32/566599532.db2.gz HLNDVZJSYNDFML-UHFFFAOYSA-N 0 1 378.866 3.474 10 30 GGEEMN N#Cc1nc(NCc2n[nH]c(-c3ccc(Br)cc3)n2)ccc1Cl ZINC000486938595 566638135 /nfs/dbraw/zinc/63/81/35/566638135.db2.gz ITQKUZWVMNNRSO-UHFFFAOYSA-N 0 1 389.644 3.188 10 30 GGEEMN N#Cc1nc(NCc2nc(-c3ccc(Br)cc3)n[nH]2)ccc1Cl ZINC000486938595 566638142 /nfs/dbraw/zinc/63/81/42/566638142.db2.gz ITQKUZWVMNNRSO-UHFFFAOYSA-N 0 1 389.644 3.188 10 30 GGEEMN CCOc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1Br ZINC000427336573 566768138 /nfs/dbraw/zinc/76/81/38/566768138.db2.gz JJCQATXXANBXCT-UHFFFAOYSA-N 0 1 396.266 3.224 10 30 GGEEMN O=S(=O)(c1cc(O)cc(F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000631786342 566825682 /nfs/dbraw/zinc/82/56/82/566825682.db2.gz XZUUISQHSTVODK-HTQZYQBOSA-N 0 1 395.296 3.283 10 30 GGEEMN CC(C)(CCC#N)CNC(=O)c1n[nH]c2ccc(I)cc21 ZINC000582380208 566856282 /nfs/dbraw/zinc/85/62/82/566856282.db2.gz SSDWROWKHFLKTL-UHFFFAOYSA-N 0 1 396.232 3.227 10 30 GGEEMN C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CC)CC1 ZINC000518010157 566860353 /nfs/dbraw/zinc/86/03/53/566860353.db2.gz GDWMYATUMCBETJ-UHFFFAOYSA-N 0 1 394.292 3.175 10 30 GGEEMN C=CCCn1cc(C[NH2+][C@H](c2ccc(Br)cc2)[C@H](C)C(=O)[O-])nn1 ZINC000656567620 566917583 /nfs/dbraw/zinc/91/75/83/566917583.db2.gz XEBVKPITLYEETL-LRDDRELGSA-N 0 1 393.285 3.168 10 30 GGEEMN C=CC[C@@H](CC)NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000544039959 566931801 /nfs/dbraw/zinc/93/18/01/566931801.db2.gz SEPOORBHJXJHBS-CYBMUJFWSA-N 0 1 378.274 3.388 10 30 GGEEMN C=CC[C@@H](CC)NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000544039959 566931805 /nfs/dbraw/zinc/93/18/05/566931805.db2.gz SEPOORBHJXJHBS-CYBMUJFWSA-N 0 1 378.274 3.388 10 30 GGEEMN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2SCCC#N)cc1 ZINC000519397867 566937629 /nfs/dbraw/zinc/93/76/29/566937629.db2.gz ZLRCOWXCRSKSGV-UHFFFAOYSA-N 0 1 376.459 3.280 10 30 GGEEMN N#Cc1cnc2c(Br)cccc2c1NCCN1CCCOCC1 ZINC000564280981 566959704 /nfs/dbraw/zinc/95/97/04/566959704.db2.gz SFCNVYXKPJRGQZ-UHFFFAOYSA-N 0 1 375.270 3.003 10 30 GGEEMN CCCN(C)[C@H](CNS(=O)(=O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000564357291 566967059 /nfs/dbraw/zinc/96/70/59/566967059.db2.gz QZIJVFKPPGRLSB-QGZVFWFLSA-N 0 1 383.945 3.336 10 30 GGEEMN CN1CCC[C@@H](CNS(=O)(=O)CC2(C#N)CCCC2)[C@@H]1c1cccs1 ZINC000544714757 566987349 /nfs/dbraw/zinc/98/73/49/566987349.db2.gz RKUZUIWPLAKPDR-DOTOQJQBSA-N 0 1 381.567 3.134 10 30 GGEEMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000583908337 566994208 /nfs/dbraw/zinc/99/42/08/566994208.db2.gz LUDJQPZQSNOXQK-DGCLKSJQSA-N 0 1 377.242 3.154 10 30 GGEEMN CN(C)Cc1ccc(NS(=O)(=O)Cc2ccc(CC#N)cc2)cc1Cl ZINC000566228680 567140320 /nfs/dbraw/zinc/14/03/20/567140320.db2.gz ILMLMFBMNJDVPV-UHFFFAOYSA-N 0 1 377.897 3.410 10 30 GGEEMN C[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000474588397 567180756 /nfs/dbraw/zinc/18/07/56/567180756.db2.gz YPOHLTSRXCTKSZ-UGSOOPFHSA-N 0 1 377.897 3.181 10 30 GGEEMN C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000474588395 567180861 /nfs/dbraw/zinc/18/08/61/567180861.db2.gz YPOHLTSRXCTKSZ-FZKQIMNGSA-N 0 1 377.897 3.181 10 30 GGEEMN N#Cc1ccc(S(=O)(=O)Nc2cccc3c2OCCC3)cc1Br ZINC000432771140 567188191 /nfs/dbraw/zinc/18/81/91/567188191.db2.gz JKBPIEYJFODWRD-UHFFFAOYSA-N 0 1 393.262 3.447 10 30 GGEEMN N#CC1(CC(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)CC1 ZINC000590158534 567211438 /nfs/dbraw/zinc/21/14/38/567211438.db2.gz BEBXQWQTFRCBLH-UHFFFAOYSA-N 0 1 379.438 3.320 10 30 GGEEMN N#C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000475386793 567246029 /nfs/dbraw/zinc/24/60/29/567246029.db2.gz BYTWEGSHQGJBGU-CQSZACIVSA-N 0 1 376.166 3.058 10 30 GGEEMN N#Cc1ccc(OC[C@@H](O)CN[C@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000591744842 567293956 /nfs/dbraw/zinc/29/39/56/567293956.db2.gz RHOYMQNWJADUSE-LRDDRELGSA-N 0 1 379.243 3.328 10 30 GGEEMN C=CCn1cc(CN[C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)nn1 ZINC000639275704 567299820 /nfs/dbraw/zinc/29/98/20/567299820.db2.gz QOMWKJDMUPUBNQ-WMZOPIPTSA-N 0 1 390.329 3.152 10 30 GGEEMN CCO[C@@H]1C[C@@H](NCC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@H]1SC ZINC000592168451 567320006 /nfs/dbraw/zinc/32/00/06/567320006.db2.gz JHMPJJIQGGIMSJ-NUJGCVRESA-N 0 1 381.929 3.085 10 30 GGEEMN Cc1cc(N2CCSCC2)ccc1NS(=O)(=O)c1ccsc1C#N ZINC000593198607 567395803 /nfs/dbraw/zinc/39/58/03/567395803.db2.gz KWDLHSQROJETAU-UHFFFAOYSA-N 0 1 379.532 3.282 10 30 GGEEMN CC1(N2CCOCC2)CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000528191716 567400491 /nfs/dbraw/zinc/40/04/91/567400491.db2.gz XVONNOSBTBWEIE-UHFFFAOYSA-N 0 1 382.277 3.151 10 30 GGEEMN CN(C)[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)c1cccs1 ZINC000593385316 567410719 /nfs/dbraw/zinc/41/07/19/567410719.db2.gz SNEWHRNTTLCTFC-OAHLLOKOSA-N 0 1 392.322 3.344 10 30 GGEEMN CN(C)[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)c1ccsc1 ZINC000593401581 567412330 /nfs/dbraw/zinc/41/23/30/567412330.db2.gz BWPIRRDBPUILMR-MRXNPFEDSA-N 0 1 392.322 3.344 10 30 GGEEMN CN1CCC[C@@H](CNS(=O)(=O)c2ccsc2C#N)[C@@H]1c1cccs1 ZINC000593550742 567424230 /nfs/dbraw/zinc/42/42/30/567424230.db2.gz IYBMZWUTXYLWNF-BLLLJJGKSA-N 0 1 381.548 3.043 10 30 GGEEMN CN1CCC[C@H](CNS(=O)(=O)c2ccsc2C#N)[C@H]1c1cccs1 ZINC000593550745 567424293 /nfs/dbraw/zinc/42/42/93/567424293.db2.gz IYBMZWUTXYLWNF-WBMJQRKESA-N 0 1 381.548 3.043 10 30 GGEEMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Cc2ccc(Br)cc2C#N)n[nH]1 ZINC000593651009 567431215 /nfs/dbraw/zinc/43/12/15/567431215.db2.gz OTMQECFJIRZONY-MNOVXSKESA-N 0 1 390.285 3.372 10 30 GGEEMN N#Cc1ccc([C@@H](NCC2(Cc3ccc(Br)cc3)CC2)C(N)=O)cc1 ZINC000594728436 567504494 /nfs/dbraw/zinc/50/44/94/567504494.db2.gz OFDXVQBZECUGDD-GOSISDBHSA-N 0 1 398.304 3.460 10 30 GGEEMN C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CC)CC1 ZINC000460952569 567712022 /nfs/dbraw/zinc/71/20/22/567712022.db2.gz PURCMBWIGXKIMO-UHFFFAOYSA-N 0 1 396.358 3.487 10 30 GGEEMN C=CCOc1cccc(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)c1 ZINC000532724273 567730221 /nfs/dbraw/zinc/73/02/21/567730221.db2.gz OCNTYHAYLRSFCD-UHFFFAOYSA-N 0 1 381.837 3.492 10 30 GGEEMN C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(C)C)CC1 ZINC000508741624 567763462 /nfs/dbraw/zinc/76/34/62/567763462.db2.gz YQUSIKUXAYDLAR-UHFFFAOYSA-N 0 1 390.329 3.424 10 30 GGEEMN C=CCCO[C@@H](C)C(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC000598425519 567765991 /nfs/dbraw/zinc/76/59/91/567765991.db2.gz VPPKHSVFYAHRPM-VIFPVBQESA-N 0 1 385.205 3.087 10 30 GGEEMN CC(C)(C#N)C[C@@H](O)CNCc1cc(Cl)ccc1I ZINC000598706475 567784132 /nfs/dbraw/zinc/78/41/32/567784132.db2.gz SJTYBQRHOWBZNV-GFCCVEGCSA-N 0 1 392.668 3.335 10 30 GGEEMN C=CCOC[C@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147091 570548839 /nfs/dbraw/zinc/54/88/39/570548839.db2.gz SCYJGCSVVGWUFG-YADHBBJMSA-N 0 1 398.478 3.384 10 30 GGEEMN C=CCN(C[C@H](O)COC(=O)CCC)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146301 570549031 /nfs/dbraw/zinc/54/90/31/570549031.db2.gz ASBBYAHJFGXBLB-ROUUACIJSA-N 0 1 394.899 3.025 10 30 GGEEMN C=CCN(C[C@@H](O)COC(=O)CCC)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146300 570549092 /nfs/dbraw/zinc/54/90/92/570549092.db2.gz ASBBYAHJFGXBLB-MSOLQXFVSA-N 0 1 394.899 3.025 10 30 GGEEMN COc1ccc(-c2n[nH]c(NC(=O)[C@H](C)Oc3cccc(C#N)c3)n2)c(OC)c1 ZINC000060330352 570647631 /nfs/dbraw/zinc/64/76/31/570647631.db2.gz HGMHCSPWOBQBJZ-LBPRGKRZSA-N 0 1 393.403 3.416 10 30 GGEEMN COc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)Oc3cccc(C#N)c3)n2)c(OC)c1 ZINC000060330353 570647713 /nfs/dbraw/zinc/64/77/13/570647713.db2.gz HGMHCSPWOBQBJZ-GFCCVEGCSA-N 0 1 393.403 3.416 10 30 GGEEMN N#Cc1ccc(CN2CCC[C@@H](c3nn(-c4ccccc4)cc3C(N)=O)C2)s1 ZINC000583621442 570801926 /nfs/dbraw/zinc/80/19/26/570801926.db2.gz KOXPJZADIZRPIV-OAHLLOKOSA-N 0 1 391.500 3.284 10 30 GGEEMN CCc1sc(C(=O)NCC(=O)Nc2nc(-c3ccc(OC)cc3)n[nH]2)cc1C ZINC000032786889 570809607 /nfs/dbraw/zinc/80/96/07/570809607.db2.gz UTVSYOKNNKKKBW-UHFFFAOYSA-N 0 1 399.476 3.431 10 30 GGEEMN C#CCN(Cc1ccco1)C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000063400359 570810696 /nfs/dbraw/zinc/81/06/96/570810696.db2.gz WZDITAMSPWKTES-FQEVSTJZSA-N 0 1 381.476 3.270 10 30 GGEEMN C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000032888376 570885390 /nfs/dbraw/zinc/88/53/90/570885390.db2.gz IMKCPVOSCADLFP-UXHICEINSA-N 0 1 390.531 3.332 10 30 GGEEMN C[C@@H](NC(=O)[C@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000032888376 570885395 /nfs/dbraw/zinc/88/53/95/570885395.db2.gz IMKCPVOSCADLFP-UXHICEINSA-N 0 1 390.531 3.332 10 30 GGEEMN C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000032888375 570885510 /nfs/dbraw/zinc/88/55/10/570885510.db2.gz IMKCPVOSCADLFP-VQTJNVASSA-N 0 1 390.531 3.332 10 30 GGEEMN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000032888375 570885513 /nfs/dbraw/zinc/88/55/13/570885513.db2.gz IMKCPVOSCADLFP-VQTJNVASSA-N 0 1 390.531 3.332 10 30 GGEEMN C=CCOC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984854 570911345 /nfs/dbraw/zinc/91/13/45/570911345.db2.gz FICGXYGHXFNTIH-FCHUYYIVSA-N 0 1 380.488 3.245 10 30 GGEEMN C=CCOC[C@@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984854 570911347 /nfs/dbraw/zinc/91/13/47/570911347.db2.gz FICGXYGHXFNTIH-FCHUYYIVSA-N 0 1 380.488 3.245 10 30 GGEEMN Cc1cc(=O)[nH]c(SCC(=O)N2CCC(Cc3ccccc3)CC2)c1C#N ZINC000003318328 1398334605 /nfs/dbraw/zinc/33/46/05/1398334605.db2.gz FFALJHQHONLJBH-UHFFFAOYSA-N 0 1 381.501 3.128 10 30 GGEEMN COc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C#N)[nH]c2c1 ZINC000004274633 1398389071 /nfs/dbraw/zinc/38/90/71/1398389071.db2.gz MKYKDGQJQBSZGT-UHFFFAOYSA-N 0 1 383.389 3.082 10 30 GGEEMN Cc1cc(C(=O)CSc2[nH]c(=O)cc(C)c2C#N)c(C)n1C[C@H]1CCCO1 ZINC000009593379 1398860972 /nfs/dbraw/zinc/86/09/72/1398860972.db2.gz BIKBKGSSTBQYKD-OAHLLOKOSA-N 0 1 385.489 3.127 10 30 GGEEMN Cc1cc(C(=O)CSc2[nH]c(=O)cc(C)c2C#N)c(C)n1C[C@@H]1CCCO1 ZINC000009593370 1398861027 /nfs/dbraw/zinc/86/10/27/1398861027.db2.gz BIKBKGSSTBQYKD-HNNXBMFYSA-N 0 1 385.489 3.127 10 30 GGEEMN COc1cc(/C=C\C(=O)c2cccc(N3CCOCC3)c2)cc([N+](=O)[O-])c1O ZINC000098002286 1410393539 /nfs/dbraw/zinc/39/35/39/1410393539.db2.gz YXBJOMRSNIEUMZ-WAYWQWQTSA-N 0 1 384.388 3.042 10 30 GGEEMN Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1C ZINC000245559349 1433485168 /nfs/dbraw/zinc/48/51/68/1433485168.db2.gz BOHANJWNGJZYLZ-NQIIRXRSSA-N 0 1 379.508 3.330 10 30 GGEEMN CCN(CC)S(=O)(=O)c1ccc(N2CCCCCC2)c(N=CN(C)C)c1 ZINC000254382150 1433870971 /nfs/dbraw/zinc/87/09/71/1433870971.db2.gz WNQKVSXXRLDSBV-UHFFFAOYSA-N 0 1 380.558 3.319 10 30 GGEEMN O=C(NCCNCc1ccc(-c2nc3ccccc3s2)o1)C1N=CC=CC1=O ZINC000255545327 1433884722 /nfs/dbraw/zinc/88/47/22/1433884722.db2.gz ADRMTNSXSABGFV-VHEBQXMUSA-N 0 1 394.456 3.172 10 30 GGEEMN CO[C@H]1C(=O)N(c2cccc(F)c2)C12CCN(Cc1cccc(C#N)c1)CC2 ZINC000257179384 1433893864 /nfs/dbraw/zinc/89/38/64/1433893864.db2.gz IOZJKVJQBSWVEC-FQEVSTJZSA-N 0 1 379.435 3.094 10 30 GGEEMN C=CCc1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(O)c(OC)c1 ZINC000023761801 212105534 /nfs/dbraw/zinc/10/55/34/212105534.db2.gz NCPUGBVRBSMZAS-UHFFFAOYSA-N 0 1 396.487 3.176 10 30 GGEEMN Cc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3cccc(C#N)c3)c2)cc1 ZINC000015778600 221344262 /nfs/dbraw/zinc/34/42/62/221344262.db2.gz UFVATJDRWBQLIR-UHFFFAOYSA-N 0 1 392.440 3.315 10 30 GGEEMN N#Cc1cccc(NC(=O)c2cncc(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000015778598 221344405 /nfs/dbraw/zinc/34/44/05/221344405.db2.gz GQVCLCNLAVJWAS-UHFFFAOYSA-N 0 1 378.413 3.006 10 30 GGEEMN C=CCC[C@@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2cccc(F)c2)CC1 ZINC000036340176 518720401 /nfs/dbraw/zinc/72/04/01/518720401.db2.gz NYUCISYUEGSYAO-OAQYLSRUSA-N 0 1 398.526 3.272 10 30 GGEEMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccn2)cc1 ZINC000102909579 525942631 /nfs/dbraw/zinc/94/26/31/525942631.db2.gz FZDBSRQOQIBOAN-LCPUNJGISA-N 0 1 385.423 3.407 10 30 GGEEMN O=C(c1ccoc1)N1CC[C@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000096309959 526856071 /nfs/dbraw/zinc/85/60/71/526856071.db2.gz WEKQSNDHUZMXGY-JOCHJYFZSA-N 0 1 387.443 3.396 10 30 GGEEMN C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1cccc(Br)c1 ZINC000128440678 564618897 /nfs/dbraw/zinc/61/88/97/564618897.db2.gz LPRRNBDQZQEALT-CYBMUJFWSA-N 0 1 393.306 3.445 10 30 GGEEMN N#Cc1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)c(F)c1 ZINC000151206747 564910000 /nfs/dbraw/zinc/91/00/00/564910000.db2.gz DSUBDODFQKLOLW-CQSZACIVSA-N 0 1 376.306 3.418 10 30 GGEEMN N#Cc1cc(Br)ccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000154119943 565026301 /nfs/dbraw/zinc/02/63/01/565026301.db2.gz OANUQGJFQPZBOS-SFHVURJKSA-N 0 1 387.277 3.119 10 30 GGEEMN CN(Cc1cc(C#N)ccc1Br)C1CCN(c2cnccn2)CC1 ZINC000369304720 565087220 /nfs/dbraw/zinc/08/72/20/565087220.db2.gz FLZBLRDNYDSULX-UHFFFAOYSA-N 0 1 386.297 3.212 10 30 GGEEMN COc1ccc(-c2n[nH]c(SCCOCCC#N)n2)cc1Br ZINC000292611536 565124496 /nfs/dbraw/zinc/12/44/96/565124496.db2.gz ITFYNNUETFGYJQ-UHFFFAOYSA-N 0 1 383.271 3.265 10 30 GGEEMN Cc1cc(Br)c(CNCCNC(=O)C2N=CC=CC2=O)cc1Cl ZINC000294695836 565223596 /nfs/dbraw/zinc/22/35/96/565223596.db2.gz AOWMQBUPGHVOCZ-NXVVXOECSA-N 0 1 398.688 3.027 10 30 GGEEMN C=C[C@](C)(CCOC)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000187688914 565350304 /nfs/dbraw/zinc/35/03/04/565350304.db2.gz KZMOSXFFGUIZGX-QGZVFWFLSA-N 0 1 393.285 3.079 10 30 GGEEMN C=C[C@](C)(CCOC)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000187688914 565350309 /nfs/dbraw/zinc/35/03/09/565350309.db2.gz KZMOSXFFGUIZGX-QGZVFWFLSA-N 0 1 393.285 3.079 10 30 GGEEMN N#CCCN(Cc1cccnc1)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000171766657 565449137 /nfs/dbraw/zinc/44/91/37/565449137.db2.gz LYZPSOQBXFMTBL-UHFFFAOYSA-N 0 1 384.237 3.276 10 30 GGEEMN N#CCCN(Cc1ccccn1)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000171805907 565451524 /nfs/dbraw/zinc/45/15/24/565451524.db2.gz HEVCCTXRWRXRCZ-UHFFFAOYSA-N 0 1 384.237 3.276 10 30 GGEEMN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(Br)cc1OC ZINC000190458683 565533456 /nfs/dbraw/zinc/53/34/56/565533456.db2.gz GGIDHMJYKPIGKZ-STQMWFEESA-N 0 1 382.302 3.116 10 30 GGEEMN Cc1cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc(C)c1Br ZINC000390637210 565557295 /nfs/dbraw/zinc/55/72/95/565557295.db2.gz RNHBSYCJEHZCGV-UHFFFAOYSA-N 0 1 380.267 3.442 10 30 GGEEMN Cc1c(Br)cc(/C([O-])=N/CC[N@@H+](C)C2CCCCC2)c(=O)n1C ZINC000331202249 565746200 /nfs/dbraw/zinc/74/62/00/565746200.db2.gz BKBBOPVDQLUPQP-UHFFFAOYSA-N 0 1 384.318 3.025 10 30 GGEEMN Cc1c(Cl)cc(F)c(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)c1F ZINC000331282348 565751917 /nfs/dbraw/zinc/75/19/17/565751917.db2.gz DAONALVNQNJZPV-SNVBAGLBSA-N 0 1 375.847 3.249 10 30 GGEEMN O=C(NC[C@@H]1CCCCN1CCO)c1ccc(Br)cc1Cl ZINC000331341741 565755266 /nfs/dbraw/zinc/75/52/66/565755266.db2.gz STSVLKVDDYCPEF-LBPRGKRZSA-N 0 1 375.694 3.254 10 30 GGEEMN O=C(NC[C@H]1CCCCN1CCO)c1cc(F)c(Br)cc1Cl ZINC000331335052 565755425 /nfs/dbraw/zinc/75/54/25/565755425.db2.gz PYBAZYXBZUNNJK-SNVBAGLBSA-N 0 1 393.684 3.393 10 30 GGEEMN C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000176884599 565811985 /nfs/dbraw/zinc/81/19/85/565811985.db2.gz BMSQZFIXTBHWBO-CYBMUJFWSA-N 0 1 393.306 3.445 10 30 GGEEMN COc1ccc(CN[C@@](C)(CO)c2ccc(Br)cc2)cc1C#N ZINC000286265893 565950531 /nfs/dbraw/zinc/95/05/31/565950531.db2.gz BDFFQPMTSHVSSB-SFHVURJKSA-N 0 1 375.266 3.327 10 30 GGEEMN C[C@@](CO)(NCc1ccc(OCC#N)cc1)c1ccc(Br)cc1 ZINC000286603687 565969696 /nfs/dbraw/zinc/96/96/96/565969696.db2.gz RFTHBLWITOGYLC-SFHVURJKSA-N 0 1 375.266 3.349 10 30 GGEEMN N#Cc1ccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c(Br)c1 ZINC000245549566 565996107 /nfs/dbraw/zinc/99/61/07/565996107.db2.gz OBTGCXIKWQCLOZ-MAUKXSAKSA-N 0 1 388.309 3.296 10 30 GGEEMN Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccc(C#N)cc3Br)C2)n1 ZINC000181100185 566114524 /nfs/dbraw/zinc/11/45/24/566114524.db2.gz DYJNHIZLSXYGIY-MRXNPFEDSA-N 0 1 388.313 3.441 10 30 GGEEMN C[C@@H]1Cc2ccc(Br)cc2CN1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599350890 566254870 /nfs/dbraw/zinc/25/48/70/566254870.db2.gz BHFXZUYXYXOMBS-KDOFPFPSSA-N 0 1 393.325 3.267 10 30 GGEEMN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599625993 566280089 /nfs/dbraw/zinc/28/00/89/566280089.db2.gz BVUYPJUSZDEQLI-SUMWQHHRSA-N 0 1 385.339 3.194 10 30 GGEEMN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599628800 566280620 /nfs/dbraw/zinc/28/06/20/566280620.db2.gz UQMLBSKDPRCWJZ-FUHWJXTLSA-N 0 1 385.339 3.240 10 30 GGEEMN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599628802 566280657 /nfs/dbraw/zinc/28/06/57/566280657.db2.gz UQMLBSKDPRCWJZ-WMZOPIPTSA-N 0 1 385.339 3.240 10 30 GGEEMN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1CC(=O)NC1(C#N)CCC1 ZINC000599651973 566281884 /nfs/dbraw/zinc/28/18/84/566281884.db2.gz JTKTWODDHVWDIR-UKRRQHHQSA-N 0 1 376.298 3.189 10 30 GGEEMN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000599651381 566281903 /nfs/dbraw/zinc/28/19/03/566281903.db2.gz GNBZYSQUJYPEAY-ZXYWRSMDSA-N 0 1 390.325 3.435 10 30 GGEEMN N#CCc1ccc(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)cc1 ZINC000536119553 566351910 /nfs/dbraw/zinc/35/19/10/566351910.db2.gz RGUNKMOUCBQIFH-UHFFFAOYSA-N 0 1 396.248 3.230 10 30 GGEEMN N#CCc1ccc(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000536119553 566351917 /nfs/dbraw/zinc/35/19/17/566351917.db2.gz RGUNKMOUCBQIFH-UHFFFAOYSA-N 0 1 396.248 3.230 10 30 GGEEMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCc3cc(Br)ccc32)[nH]1 ZINC000576520120 566353097 /nfs/dbraw/zinc/35/30/97/566353097.db2.gz KOLPESUXFVXAPX-OAHLLOKOSA-N 0 1 387.281 3.363 10 30 GGEEMN N#CC1(C[C@H](O)CNCc2cc(Cl)ccc2I)CC1 ZINC000600749184 566362766 /nfs/dbraw/zinc/36/27/66/566362766.db2.gz PVBACGZVCNNDOF-LBPRGKRZSA-N 0 1 390.652 3.089 10 30 GGEEMN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCCc3ccc(Cl)cc32)nc1 ZINC000600757863 566364316 /nfs/dbraw/zinc/36/43/16/566364316.db2.gz UBAIENCJILOJGU-KRWDZBQOSA-N 0 1 375.881 3.048 10 30 GGEEMN COC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)CCC(C)(C)C#N ZINC000577180414 566412300 /nfs/dbraw/zinc/41/23/00/566412300.db2.gz FQMYSJOSIHJCRY-UHFFFAOYSA-N 0 1 378.372 3.174 10 30 GGEEMN Cc1cc(S(=O)(=O)NCCN[C@@H](C)c2ccc(C#N)cc2F)c(C)s1 ZINC000512662742 566549198 /nfs/dbraw/zinc/54/91/98/566549198.db2.gz ZYTVCVHVDYHIEQ-LBPRGKRZSA-N 0 1 381.498 3.005 10 30 GGEEMN N#Cc1cscc1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000559449616 566550849 /nfs/dbraw/zinc/55/08/49/566550849.db2.gz JCRNDYSBMXUJTB-UHFFFAOYSA-N 0 1 388.250 3.097 10 30 GGEEMN N#Cc1cscc1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000559449616 566550853 /nfs/dbraw/zinc/55/08/53/566550853.db2.gz JCRNDYSBMXUJTB-UHFFFAOYSA-N 0 1 388.250 3.097 10 30 GGEEMN C=CCOc1c(Br)cc(CNCc2n[nH]c(C3CC3)n2)cc1OC ZINC000449405036 566558133 /nfs/dbraw/zinc/55/81/33/566558133.db2.gz HUAVDBWEKPGSCY-UHFFFAOYSA-N 0 1 393.285 3.308 10 30 GGEEMN COC(=O)c1ccc(CNCCOc2ccc(C#N)cc2)c(Br)c1 ZINC000560258596 566611993 /nfs/dbraw/zinc/61/19/93/566611993.db2.gz NXZLEROEPZSWPP-UHFFFAOYSA-N 0 1 389.249 3.276 10 30 GGEEMN CN1CC[C@H](NC(=O)c2ccc(Br)cc2C#N)[C@@H]1c1ccccc1 ZINC000450437951 566671123 /nfs/dbraw/zinc/67/11/23/566671123.db2.gz LRBFELQLSINURO-ROUUACIJSA-N 0 1 384.277 3.496 10 30 GGEEMN N#Cc1cc(-c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)ccn1 ZINC000580634333 566710886 /nfs/dbraw/zinc/71/08/86/566710886.db2.gz LOUGLZNVCAUQLF-UHFFFAOYSA-N 0 1 394.192 3.218 10 30 GGEEMN COc1cc(Br)ccc1[C@@H](C)N[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469248794 566776449 /nfs/dbraw/zinc/77/64/49/566776449.db2.gz MQNQJLGDPSHBMN-VXGBXAGGSA-N 0 1 380.286 3.059 10 30 GGEEMN N#Cc1cc(NCC(=O)Nc2ccc(Br)cc2)nc2ccccc12 ZINC000609894683 566793562 /nfs/dbraw/zinc/79/35/62/566793562.db2.gz CIEKVIWRCXCCEX-UHFFFAOYSA-N 0 1 381.233 3.341 10 30 GGEEMN N#CCC1(CS(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000562542695 566799713 /nfs/dbraw/zinc/79/97/13/566799713.db2.gz QOYXHGQJDRNOCS-OAHLLOKOSA-N 0 1 378.885 3.377 10 30 GGEEMN COc1cc(CNCc2cc(Br)c(O)c(OC)c2)ccc1C#N ZINC000582815483 566897219 /nfs/dbraw/zinc/89/72/19/566897219.db2.gz WMZFJOVUIJWJMP-UHFFFAOYSA-N 0 1 377.238 3.333 10 30 GGEEMN CCN1CCN([C@H](C)CNc2c(Br)cc(Cl)cc2C#N)CC1 ZINC000429219455 566915459 /nfs/dbraw/zinc/91/54/59/566915459.db2.gz XZKHQWNJCLSYFO-GFCCVEGCSA-N 0 1 385.737 3.412 10 30 GGEEMN C=CCCn1cc(C[NH2+][C@@H](c2ccc(Br)cc2)[C@H](C)C(=O)[O-])nn1 ZINC000656567619 566917245 /nfs/dbraw/zinc/91/72/45/566917245.db2.gz XEBVKPITLYEETL-BLLLJJGKSA-N 0 1 393.285 3.168 10 30 GGEEMN C=CC[C@H](CC)NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000544039963 566931197 /nfs/dbraw/zinc/93/11/97/566931197.db2.gz SEPOORBHJXJHBS-ZDUSSCGKSA-N 0 1 378.274 3.388 10 30 GGEEMN C=CC[C@H](CC)NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000544039963 566931201 /nfs/dbraw/zinc/93/12/01/566931201.db2.gz SEPOORBHJXJHBS-ZDUSSCGKSA-N 0 1 378.274 3.388 10 30 GGEEMN N#Cc1ccnc(NS(=O)(=O)Cc2ccc(Cl)cc2Br)c1 ZINC000583420689 566951129 /nfs/dbraw/zinc/95/11/29/566951129.db2.gz YDLUBZNKUCRBSJ-UHFFFAOYSA-N 0 1 386.658 3.311 10 30 GGEEMN CN(Cc1cccc(C#N)c1)C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000544373341 566957859 /nfs/dbraw/zinc/95/78/59/566957859.db2.gz CCNATVMRYCSJJL-UHFFFAOYSA-N 0 1 396.244 3.434 10 30 GGEEMN Cc1ccsc1[C@@H](CO)NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000494687976 567017213 /nfs/dbraw/zinc/01/72/13/567017213.db2.gz RVJSEDPYLITRIK-MRXNPFEDSA-N 0 1 377.897 3.280 10 30 GGEEMN N#CCc1cccc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000585733064 567084104 /nfs/dbraw/zinc/08/41/04/567084104.db2.gz ZPYWBAPQDGCZJL-UHFFFAOYSA-N 0 1 396.222 3.224 10 30 GGEEMN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)nc1 ZINC000566126266 567128438 /nfs/dbraw/zinc/12/84/38/567128438.db2.gz XLMYSZQBBBDLOG-GOEBONIOSA-N 0 1 396.299 3.179 10 30 GGEEMN C=CCCCCNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000474055999 567129122 /nfs/dbraw/zinc/12/91/22/567129122.db2.gz PZXOGTUFYUJDDF-UHFFFAOYSA-N 0 1 378.274 3.390 10 30 GGEEMN C=CCCCCNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000474055999 567129127 /nfs/dbraw/zinc/12/91/27/567129127.db2.gz PZXOGTUFYUJDDF-UHFFFAOYSA-N 0 1 378.274 3.390 10 30 GGEEMN C[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000474588396 567180884 /nfs/dbraw/zinc/18/08/84/567180884.db2.gz YPOHLTSRXCTKSZ-SCLBCKFNSA-N 0 1 377.897 3.181 10 30 GGEEMN C[C@H](NCc1ccnc(C#N)c1)c1ccc(Br)cc1OCCCO ZINC000589752077 567194418 /nfs/dbraw/zinc/19/44/18/567194418.db2.gz UXNAJIGXCRLUFQ-ZDUSSCGKSA-N 0 1 390.281 3.328 10 30 GGEEMN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000567702161 567269273 /nfs/dbraw/zinc/26/92/73/567269273.db2.gz VMWOENBAIRKPQC-MAUKXSAKSA-N 0 1 378.856 3.270 10 30 GGEEMN C=CCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC)CC1 ZINC000685543582 567282567 /nfs/dbraw/zinc/28/25/67/567282567.db2.gz FOLDGDUUSJTVHH-UHFFFAOYSA-N 0 1 382.331 3.097 10 30 GGEEMN C=CCn1cc(CN[C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)nn1 ZINC000639275695 567298808 /nfs/dbraw/zinc/29/88/08/567298808.db2.gz QOMWKJDMUPUBNQ-AEFFLSMTSA-N 0 1 390.329 3.152 10 30 GGEEMN CSc1[n-]c(=O)c(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1C#N ZINC000500786425 567344156 /nfs/dbraw/zinc/34/41/56/567344156.db2.gz JZMDBJWINBWIJI-UHFFFAOYSA-N 0 1 376.869 3.348 10 30 GGEEMN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CCSc3c(F)cccc32)c1 ZINC000548908163 567360111 /nfs/dbraw/zinc/36/01/11/567360111.db2.gz BQGRPCRCWLVQHV-QGZVFWFLSA-N 0 1 376.478 3.298 10 30 GGEEMN N#Cc1cccc(S(=O)(=O)CCNCc2cc(F)cc(Br)c2)c1 ZINC000548908606 567360502 /nfs/dbraw/zinc/36/05/02/567360502.db2.gz ZWMOLFRYBWCVCZ-UHFFFAOYSA-N 0 1 397.269 3.023 10 30 GGEEMN N#Cc1ccc(S(=O)(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)s1 ZINC000435438969 567368635 /nfs/dbraw/zinc/36/86/35/567368635.db2.gz SBWIZOGAJGCHQJ-GFCCVEGCSA-N 0 1 382.335 3.480 10 30 GGEEMN COC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c(C)s1 ZINC000593279932 567403587 /nfs/dbraw/zinc/40/35/87/567403587.db2.gz FEURHCVTKBHHJD-UHFFFAOYSA-N 0 1 378.475 3.445 10 30 GGEEMN N#C[C@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1ccc(Br)cc1 ZINC000502225581 567424200 /nfs/dbraw/zinc/42/42/00/567424200.db2.gz GLELBENTPJSSBY-HNNXBMFYSA-N 0 1 382.221 3.229 10 30 GGEEMN CC[C@](NS(=O)(=O)c1ccsc1C#N)(C(=O)OC)c1ccc(Cl)cc1 ZINC000593599407 567426890 /nfs/dbraw/zinc/42/68/90/567426890.db2.gz UERNKJALQGWLQK-MRXNPFEDSA-N 0 1 398.893 3.030 10 30 GGEEMN CC[C@@](NS(=O)(=O)c1ccsc1C#N)(C(=O)OC)c1ccc(Cl)cc1 ZINC000593599406 567427374 /nfs/dbraw/zinc/42/73/74/567427374.db2.gz UERNKJALQGWLQK-INIZCTEOSA-N 0 1 398.893 3.030 10 30 GGEEMN N#Cc1ccc(S(=O)(=O)Nc2cncc3c2CCCC3)cc1Br ZINC000594726749 567504717 /nfs/dbraw/zinc/50/47/17/567504717.db2.gz SDYNWKDQNSRWON-UHFFFAOYSA-N 0 1 392.278 3.395 10 30 GGEEMN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000594760602 567508006 /nfs/dbraw/zinc/50/80/06/567508006.db2.gz UEVQPJSHGKWUBD-IUODEOHRSA-N 0 1 377.535 3.185 10 30 GGEEMN N#Cc1ccc(C(=O)Nc2cc(O)c(Br)cc2Br)nc1 ZINC000571357412 567556727 /nfs/dbraw/zinc/55/67/27/567556727.db2.gz BZJGYFLGWUVHAI-UHFFFAOYSA-N 0 1 397.026 3.436 10 30 GGEEMN N#Cc1cnc2c(Br)cccc2c1NCCN1CCSCC1 ZINC000440641736 567637008 /nfs/dbraw/zinc/63/70/08/567637008.db2.gz WYCLKMNPUKIAMO-UHFFFAOYSA-N 0 1 377.311 3.330 10 30 GGEEMN CN(CCOc1ccc(Br)cc1)Cc1cnc2ccc(C#N)cn12 ZINC000506779924 567643207 /nfs/dbraw/zinc/64/32/07/567643207.db2.gz UNMXITXNWXOXQZ-UHFFFAOYSA-N 0 1 385.265 3.479 10 30 GGEEMN N#Cc1ccc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)c(Br)c1 ZINC000481061515 567655346 /nfs/dbraw/zinc/65/53/46/567655346.db2.gz RPLJCXDTRIWLQF-MRXNPFEDSA-N 0 1 376.298 3.155 10 30 GGEEMN N#Cc1cccc(CC(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000531385506 567657192 /nfs/dbraw/zinc/65/71/92/567657192.db2.gz MDQXIGQMZQJGMJ-UHFFFAOYSA-N 0 1 382.221 3.287 10 30 GGEEMN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1cc(CC#N)ccn1 ZINC000531907397 567685855 /nfs/dbraw/zinc/68/58/55/567685855.db2.gz QLVNLMTZGWMHNA-UHFFFAOYSA-N 0 1 380.267 3.328 10 30 GGEEMN C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CC)CC1 ZINC000460564381 567693243 /nfs/dbraw/zinc/69/32/43/567693243.db2.gz WMOHSWXCKCQZBA-UHFFFAOYSA-N 0 1 390.329 3.426 10 30 GGEEMN C=CCCc1ccccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000443415306 567756655 /nfs/dbraw/zinc/75/66/55/567756655.db2.gz FJZYZZOPOOGVLR-UHFFFAOYSA-N 0 1 383.466 3.149 10 30 GGEEMN C=CCn1c(-c2ccccc2Br)nnc1N1CCN(CCC)CC1 ZINC000508747874 567763531 /nfs/dbraw/zinc/76/35/31/567763531.db2.gz PJKFLWGLEZIQML-UHFFFAOYSA-N 0 1 390.329 3.426 10 30 GGEEMN COC[C@@](C)(NS(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(F)(F)F ZINC000444057229 567788115 /nfs/dbraw/zinc/78/81/15/567788115.db2.gz LYPKIQXLWOTFTK-SNVBAGLBSA-N 0 1 383.285 3.090 10 30 GGEEMN C=CCN(C[C@@H](O)COC(=O)CCC)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000248137747 570443423 /nfs/dbraw/zinc/44/34/23/570443423.db2.gz ASBBYAHJFGXBLB-QZTJIDSGSA-N 0 1 394.899 3.025 10 30 GGEEMN C=CCOC[C@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1 ZINC000036096030 570535635 /nfs/dbraw/zinc/53/56/35/570535635.db2.gz YXAZSRSCNATWIG-HXUWFJFHSA-N 0 1 389.467 3.409 10 30 GGEEMN C=CCOC[C@H](O)CN(Cc1ccc(C)s1)Cc1ccc2c(c1)OCO2 ZINC000036101384 570538536 /nfs/dbraw/zinc/53/85/36/570538536.db2.gz WXRYDFRJDKKBRF-QGZVFWFLSA-N 0 1 375.490 3.351 10 30 GGEEMN C=CCOC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147095 570548825 /nfs/dbraw/zinc/54/88/25/570548825.db2.gz SCYJGCSVVGWUFG-VXKWHMMOSA-N 0 1 398.478 3.384 10 30 GGEEMN N#CC(c1nc2ccccc2nc1N1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000006942921 570715506 /nfs/dbraw/zinc/71/55/06/570715506.db2.gz PNZVKGZSGBYOFT-GOSISDBHSA-N 0 1 396.447 3.408 10 30 GGEEMN Cc1c(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc(C#N)n1C ZINC000170084434 570802075 /nfs/dbraw/zinc/80/20/75/570802075.db2.gz OMJXMRNUIKSNFG-MRXNPFEDSA-N 0 1 376.382 3.119 10 30 GGEEMN Cc1c(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc(C#N)n1C ZINC000170084437 570802122 /nfs/dbraw/zinc/80/21/22/570802122.db2.gz OMJXMRNUIKSNFG-INIZCTEOSA-N 0 1 376.382 3.119 10 30 GGEEMN COc1ccc(CN2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)cc1F ZINC000047333835 570953402 /nfs/dbraw/zinc/95/34/02/570953402.db2.gz APUDHSZEYZGBJX-UHFFFAOYSA-N 0 1 382.439 3.492 10 30 GGEEMN O=c1[nH]c2c(-c3nc4ccccc4[nH]3)c(O)cn2c2sc3c(c21)CCCC3 ZINC000003320307 1398334491 /nfs/dbraw/zinc/33/44/91/1398334491.db2.gz MNWASSLCRYYOBW-UHFFFAOYSA-N 0 1 376.441 3.005 10 30 GGEEMN COc1ccccc1CN(CCO)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000103482425 1410862425 /nfs/dbraw/zinc/86/24/25/1410862425.db2.gz CUWFDRANQQCBPE-UHFFFAOYSA-N 0 1 387.867 3.043 10 30 GGEEMN C[C@@H](Sc1nc(-c2ccccn2)n[nH]1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000117113982 1413000950 /nfs/dbraw/zinc/00/09/50/1413000950.db2.gz DCYXTUUUWMSHQT-SHYRYGCCSA-N 0 1 384.509 3.278 10 30 GGEEMN COC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000121714075 1414233018 /nfs/dbraw/zinc/23/30/18/1414233018.db2.gz PFLAHXSJSVUOOY-UHFFFAOYSA-N 0 1 384.335 3.164 10 30 GGEEMN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCN(CCc2ccccc2)CC1 ZINC000127496331 1415801285 /nfs/dbraw/zinc/80/12/85/1415801285.db2.gz AWCDJIWMXVLPEZ-ZPGVXSSASA-N 0 1 396.579 3.166 10 30 GGEEMN Cn1cc(CN2CCCN(Cc3cscn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180066186 1429722098 /nfs/dbraw/zinc/72/20/98/1429722098.db2.gz BGCDKNUOJPALRA-UHFFFAOYSA-N 0 1 392.532 3.123 10 30 GGEEMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000174742993 1427343846 /nfs/dbraw/zinc/34/38/46/1427343846.db2.gz VXJZANGOUGIKCZ-UHFFFAOYSA-N 0 1 384.335 3.164 10 30 GGEEMN C=CCN(C[C@@H](O)COC(C)(C)C)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000245329080 1433455998 /nfs/dbraw/zinc/45/59/98/1433455998.db2.gz QOTMKMPMMABWMU-QZTJIDSGSA-N 0 1 380.916 3.497 10 30 GGEEMN Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1C ZINC000245559350 1433485154 /nfs/dbraw/zinc/48/51/54/1433485154.db2.gz BOHANJWNGJZYLZ-RXVVDRJESA-N 0 1 379.508 3.330 10 30 GGEEMN Cc1csc(=Nc2ccc(C#N)c(Cl)c2)n1[C@@H](C)CN1CCN(C)CC1 ZINC000255290278 1433879227 /nfs/dbraw/zinc/87/92/27/1433879227.db2.gz BIARXGCYPPYWGC-AWEZNQCLSA-N 0 1 389.956 3.424 10 30 GGEEMN C[N@@H+](CC(=O)[O-])C1CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000263514982 1434010488 /nfs/dbraw/zinc/01/04/88/1434010488.db2.gz ZGPMBTUJWNDURC-UHFFFAOYSA-N 0 1 391.471 3.099 10 30 GGEEMN COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC#N)nc2c1 ZINC000007807396 204251580 /nfs/dbraw/zinc/25/15/80/204251580.db2.gz AIXQNYSLEKNYGN-UHFFFAOYSA-N 0 1 375.431 3.253 10 30 GGEEMN N#Cc1cnc(NCc2nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]2)nc1N ZINC000067973539 205270045 /nfs/dbraw/zinc/27/00/45/205270045.db2.gz GFQJVYZFEAFHFS-UHFFFAOYSA-N 0 1 386.394 3.134 10 30 GGEEMN C=CCC[C@@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2ccccc2C)CC1 ZINC000036340122 518720521 /nfs/dbraw/zinc/72/05/21/518720521.db2.gz FKUVTVBBECQGHP-JOCHJYFZSA-N 0 1 394.563 3.442 10 30 GGEEMN C=CCC[C@@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2ccccc2)CC1 ZINC000036340426 518721195 /nfs/dbraw/zinc/72/11/95/518721195.db2.gz KSQPJBJZCKKUBM-OAQYLSRUSA-N 0 1 380.536 3.133 10 30 GGEEMN CCN(Cc1ccccc1)c1ccc(C=Nn2c(=O)c(C)n[nH]c2=S)cc1 ZINC000102976750 521374666 /nfs/dbraw/zinc/37/46/66/521374666.db2.gz JAVVGHRTJPCKIN-BKUYFWCQSA-N 0 1 379.489 3.144 10 30 GGEEMN COc1cc([N+](=O)[O-])cc(/C=N\n2cnnc2SCc2ccccc2)c1O ZINC000035441582 522973773 /nfs/dbraw/zinc/97/37/73/522973773.db2.gz REJOKNRLAUEKJH-OCKHKDLRSA-N 0 1 385.405 3.075 10 30 GGEEMN N#CC(C(=O)NCCc1ccc2c(c1)CCO2)c1nc2cc(F)ccc2s1 ZINC000095453900 526491715 /nfs/dbraw/zinc/49/17/15/526491715.db2.gz CXLFDBJCGPRUGS-HNNXBMFYSA-N 0 1 381.432 3.336 10 30 GGEEMN C=C(C)CN(CC)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000120509427 564323822 /nfs/dbraw/zinc/32/38/22/564323822.db2.gz CHJWKWDEXIZLBH-UHFFFAOYSA-N 0 1 378.274 3.342 10 30 GGEEMN C=C(C)CN(CC)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000120509427 564323824 /nfs/dbraw/zinc/32/38/24/564323824.db2.gz CHJWKWDEXIZLBH-UHFFFAOYSA-N 0 1 378.274 3.342 10 30 GGEEMN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccccc1Br ZINC000023410539 564324329 /nfs/dbraw/zinc/32/43/29/564324329.db2.gz ZJQXYZHDNYCGKV-HIFRSBDPSA-N 0 1 375.266 3.411 10 30 GGEEMN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1Br ZINC000023410534 564324544 /nfs/dbraw/zinc/32/45/44/564324544.db2.gz ZJQXYZHDNYCGKV-UKRRQHHQSA-N 0 1 375.266 3.411 10 30 GGEEMN C#CCN1CCC(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)CC1 ZINC000138569638 564866917 /nfs/dbraw/zinc/86/69/17/564866917.db2.gz YZNOPGFPACYORN-IBGZPJMESA-N 0 1 389.337 3.328 10 30 GGEEMN C#CCN1CCC(C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)CC1 ZINC000138569525 564867059 /nfs/dbraw/zinc/86/70/59/564867059.db2.gz YZNOPGFPACYORN-LJQANCHMSA-N 0 1 389.337 3.328 10 30 GGEEMN N#Cc1ccc(CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)o1 ZINC000091841807 564872652 /nfs/dbraw/zinc/87/26/52/564872652.db2.gz QRVDJURBLRMZEZ-LBPRGKRZSA-N 0 1 389.253 3.159 10 30 GGEEMN N#Cc1ccc(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)o1 ZINC000091843170 564872709 /nfs/dbraw/zinc/87/27/09/564872709.db2.gz BBANIIUUUVTJQS-UHFFFAOYSA-N 0 1 389.253 3.159 10 30 GGEEMN N#CC1(NC(=O)c2coc(Br)c2)CCN(Cc2ccccc2)CC1 ZINC000374891165 565359698 /nfs/dbraw/zinc/35/96/98/565359698.db2.gz BSBXTGUIJKOLKS-UHFFFAOYSA-N 0 1 388.265 3.330 10 30 GGEEMN CN(Cc1ccc(C#N)cc1Br)C1CCN(c2cnccn2)CC1 ZINC000375907655 565412364 /nfs/dbraw/zinc/41/23/64/565412364.db2.gz YSKARSNFAGSDDM-UHFFFAOYSA-N 0 1 386.297 3.212 10 30 GGEEMN N#Cc1cccc(NC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)c1 ZINC000171247337 565421859 /nfs/dbraw/zinc/42/18/59/565421859.db2.gz BEMZDHFZBADHHE-UHFFFAOYSA-N 0 1 397.236 3.428 10 30 GGEEMN N#Cc1cccc(NC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000171247337 565421867 /nfs/dbraw/zinc/42/18/67/565421867.db2.gz BEMZDHFZBADHHE-UHFFFAOYSA-N 0 1 397.236 3.428 10 30 GGEEMN C[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000311049259 565579926 /nfs/dbraw/zinc/57/99/26/565579926.db2.gz UMTWAWGFYFONSV-AWEZNQCLSA-N 0 1 377.897 3.010 10 30 GGEEMN CCNC(=O)N1CCC([N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2Cl)CC1 ZINC000328602341 565636015 /nfs/dbraw/zinc/63/60/15/565636015.db2.gz BEESHECWPFDUTP-UHFFFAOYSA-N 0 1 388.295 3.278 10 30 GGEEMN O=C(NC[C@@H]1CCCCN1CCO)c1cc(Br)ccc1Cl ZINC000331322125 565753973 /nfs/dbraw/zinc/75/39/73/565753973.db2.gz LERYVIVPHNIMKO-LBPRGKRZSA-N 0 1 375.694 3.254 10 30 GGEEMN O=C(NC[C@@H]1CCCCN1CCO)c1cc(Cl)cc(Br)c1F ZINC000331324177 565754076 /nfs/dbraw/zinc/75/40/76/565754076.db2.gz MAGCUARQXOOFAM-NSHDSACASA-N 0 1 393.684 3.393 10 30 GGEEMN Cc1sc(Br)c(C(=O)NC[C@@H]2CCCCN2CCO)c1C ZINC000331346468 565755361 /nfs/dbraw/zinc/75/53/61/565755361.db2.gz WDQJQOSBIACXLM-LBPRGKRZSA-N 0 1 375.332 3.279 10 30 GGEEMN CC(=O)Nc1cc(F)c(F)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000195449454 565884443 /nfs/dbraw/zinc/88/44/43/565884443.db2.gz BXUMHSVTOIJZOZ-UHFFFAOYSA-N 0 1 385.779 3.249 10 30 GGEEMN N#Cc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1Cl ZINC000180176035 566040276 /nfs/dbraw/zinc/04/02/76/566040276.db2.gz QUYHBUCCLPKQQG-UHFFFAOYSA-N 0 1 385.228 3.437 10 30 GGEEMN C[C@@H](C(=O)[O-])[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Br)cc1 ZINC000417639341 566169362 /nfs/dbraw/zinc/16/93/62/566169362.db2.gz LXOPYJKFJIPYSA-OTYXRUKQSA-N 0 1 380.267 3.329 10 30 GGEEMN CCN(Cc1ccccc1Br)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599273269 566252207 /nfs/dbraw/zinc/25/22/07/566252207.db2.gz BKUJPYWQNCZJAJ-INIZCTEOSA-N 0 1 381.314 3.342 10 30 GGEEMN CC[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000599358260 566256407 /nfs/dbraw/zinc/25/64/07/566256407.db2.gz CBPMDZZLFGZJIH-NEPJUHHUSA-N 0 1 377.432 3.274 10 30 GGEEMN C=CCN1C(=O)N=NC1SCc1cc(Br)ccc1C(=O)OC ZINC000509076541 566261690 /nfs/dbraw/zinc/26/16/90/566261690.db2.gz ZVQBCQLSTANLGZ-UHFFFAOYSA-N 0 1 384.255 3.011 10 30 GGEEMN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1CC(=O)NC1(C#N)CCC1 ZINC000599651974 566281844 /nfs/dbraw/zinc/28/18/44/566281844.db2.gz JTKTWODDHVWDIR-ZFWWWQNUSA-N 0 1 376.298 3.189 10 30 GGEEMN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000599651380 566282471 /nfs/dbraw/zinc/28/24/71/566282471.db2.gz GNBZYSQUJYPEAY-WTANOLMUSA-N 0 1 390.325 3.435 10 30 GGEEMN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000599651379 566282574 /nfs/dbraw/zinc/28/25/74/566282574.db2.gz GNBZYSQUJYPEAY-MUKKUYKPSA-N 0 1 390.325 3.435 10 30 GGEEMN C=C(C)CCN1CCN(C(=O)c2ccccc2I)CC1 ZINC000509260702 566283056 /nfs/dbraw/zinc/28/30/56/566283056.db2.gz UTELQGLVDYWHPQ-UHFFFAOYSA-N 0 1 384.261 3.015 10 30 GGEEMN CN(C)C[C@@H](NC(=O)Cc1ccc(C#N)nc1)c1ccc(Cl)c(Cl)c1 ZINC000600473116 566340406 /nfs/dbraw/zinc/34/04/06/566340406.db2.gz QVHRMVYSCCKZTB-QGZVFWFLSA-N 0 1 377.275 3.222 10 30 GGEEMN N#CC1(C[C@H](O)CNCc2ccc(Cl)cc2I)CC1 ZINC000600735933 566360817 /nfs/dbraw/zinc/36/08/17/566360817.db2.gz WKAVVLKHWMLAIW-LBPRGKRZSA-N 0 1 390.652 3.089 10 30 GGEEMN CC[C@H](C)N[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccco1 ZINC000510382464 566380168 /nfs/dbraw/zinc/38/01/68/566380168.db2.gz UFDXTSATLFJWMB-LRDDRELGSA-N 0 1 381.885 3.212 10 30 GGEEMN N#Cc1ccc(C2(NCc3ccc(Cl)c(S(N)(=O)=O)c3)CCC2)cc1 ZINC000601129789 566392542 /nfs/dbraw/zinc/39/25/42/566392542.db2.gz BDSRXNRDUJWQLE-UHFFFAOYSA-N 0 1 375.881 3.028 10 30 GGEEMN C=CCOc1c(Br)cc(C[N@H+](CC(=O)[O-])CC2CC2)cc1OC ZINC000650797134 566478798 /nfs/dbraw/zinc/47/87/98/566478798.db2.gz LNESRQXDGYCTOE-UHFFFAOYSA-N 0 1 384.270 3.319 10 30 GGEEMN COc1cc(CNCc2cc3c(c(Br)c2)OCO3)ccc1C#N ZINC000558494030 566482279 /nfs/dbraw/zinc/48/22/79/566482279.db2.gz SSGWDGVQSNPDCY-UHFFFAOYSA-N 0 1 375.222 3.348 10 30 GGEEMN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000559139757 566528032 /nfs/dbraw/zinc/52/80/32/566528032.db2.gz APQBAIZFDYHNDS-JTQLQIEISA-N 0 1 381.788 3.250 10 30 GGEEMN N#C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(C(F)(F)F)c1 ZINC000538848905 566540579 /nfs/dbraw/zinc/54/05/79/566540579.db2.gz YGPPXSWSJHVXTE-SNVBAGLBSA-N 0 1 391.352 3.218 10 30 GGEEMN N#C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(C(F)(F)F)c1 ZINC000538848904 566540791 /nfs/dbraw/zinc/54/07/91/566540791.db2.gz YGPPXSWSJHVXTE-JTQLQIEISA-N 0 1 391.352 3.218 10 30 GGEEMN C=CC[C@@H]1CCN(Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000628406156 566553934 /nfs/dbraw/zinc/55/39/34/566553934.db2.gz CYQKLHPJTHBWNE-UONOGXRCSA-N 0 1 381.314 3.360 10 30 GGEEMN N#Cc1ccc2ncc(CNCc3cc(Br)c4c(c3)OCCO4)n2c1 ZINC000539494256 566584138 /nfs/dbraw/zinc/58/41/38/566584138.db2.gz BWPGPIKDVMRNOD-UHFFFAOYSA-N 0 1 399.248 3.029 10 30 GGEEMN C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC)CC1 ZINC000579293855 566596606 /nfs/dbraw/zinc/59/66/06/566596606.db2.gz ZFKGANUHCKOPFG-UHFFFAOYSA-N 0 1 394.292 3.175 10 30 GGEEMN C=CCN(CC(F)(F)F)C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000541573725 566735006 /nfs/dbraw/zinc/73/50/06/566735006.db2.gz QOBWBGRUEVQCSI-UHFFFAOYSA-N 0 1 389.171 3.481 10 30 GGEEMN COc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c(OC)c1OC ZINC000609023230 566746626 /nfs/dbraw/zinc/74/66/26/566746626.db2.gz LWIROWSWGQHMRI-UHFFFAOYSA-N 0 1 382.825 3.038 10 30 GGEEMN CSCc1cc(F)ccc1CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000516276839 566756468 /nfs/dbraw/zinc/75/64/68/566756468.db2.gz NZNOLAWJBCLFKY-UHFFFAOYSA-N 0 1 378.494 3.124 10 30 GGEEMN N#Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2O)cc1F ZINC000427317388 566765465 /nfs/dbraw/zinc/76/54/65/566765465.db2.gz WKTBRWRQVHGVNS-UHFFFAOYSA-N 0 1 376.287 3.102 10 30 GGEEMN N#CCC1(CS(=O)(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000562542694 566799195 /nfs/dbraw/zinc/79/91/95/566799195.db2.gz QOYXHGQJDRNOCS-HNNXBMFYSA-N 0 1 378.885 3.377 10 30 GGEEMN C=C[C@H]1CCCCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000428033465 566811887 /nfs/dbraw/zinc/81/18/87/566811887.db2.gz AKTSSSGWDWKOEU-NSHDSACASA-N 0 1 381.217 3.348 10 30 GGEEMN O=S(=O)(c1cc(O)cc(F)c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000631786353 566825787 /nfs/dbraw/zinc/82/57/87/566825787.db2.gz XZUUISQHSTVODK-YUMQZZPRSA-N 0 1 395.296 3.283 10 30 GGEEMN O=S(=O)(c1cc(O)cc(F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000631985087 566837962 /nfs/dbraw/zinc/83/79/62/566837962.db2.gz SWHKCWIEBNTARW-UHFFFAOYSA-N 0 1 381.269 3.037 10 30 GGEEMN Cc1cc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)ccc1C#N ZINC000582895686 566903241 /nfs/dbraw/zinc/90/32/41/566903241.db2.gz LCKSIQQRTUVWMR-UHFFFAOYSA-N 0 1 396.222 3.338 10 30 GGEEMN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCCc3sc(Cl)cc32)nc1 ZINC000582960577 566908554 /nfs/dbraw/zinc/90/85/54/566908554.db2.gz ZRKCTIXRHFXCHE-CYBMUJFWSA-N 0 1 381.910 3.109 10 30 GGEEMN N#Cc1cccc(OCCN(CCO)Cc2cc(Br)cs2)c1 ZINC000494279796 566982993 /nfs/dbraw/zinc/98/29/93/566982993.db2.gz OFPVCRWACPTSPS-UHFFFAOYSA-N 0 1 381.295 3.256 10 30 GGEEMN C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)N(C)Cc1ccccc1 ZINC000520386404 567000744 /nfs/dbraw/zinc/00/07/44/567000744.db2.gz CJUXMLKWGYKWFQ-AWEZNQCLSA-N 0 1 377.897 3.010 10 30 GGEEMN N#Cc1csc(CNC[C@@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000565083587 567037778 /nfs/dbraw/zinc/03/77/78/567037778.db2.gz VXRIOBWWECFDQD-LBPRGKRZSA-N 0 1 377.311 3.393 10 30 GGEEMN C=C(C)[C@H](CO)N(C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000682372858 567041151 /nfs/dbraw/zinc/04/11/51/567041151.db2.gz WWYKIFMIDWQKGB-WBVHZDCISA-N 0 1 384.314 3.376 10 30 GGEEMN C=C(C)[C@H](CO)N(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000682372857 567041645 /nfs/dbraw/zinc/04/16/45/567041645.db2.gz WWYKIFMIDWQKGB-RDJZCZTQSA-N 0 1 384.314 3.376 10 30 GGEEMN C[C@@H](N=c1cc(C#N)c2cc([N+](=O)[O-])ccc2[nH]1)c1ncc(Br)cn1 ZINC000431482119 567084853 /nfs/dbraw/zinc/08/48/53/567084853.db2.gz JOLXVRWTFWFGLS-SECBINFHSA-N 0 1 399.208 3.162 10 30 GGEEMN COc1ccc(CNCCOc2ccc(C#N)cc2)c(Br)c1O ZINC000546881891 567168714 /nfs/dbraw/zinc/16/87/14/567168714.db2.gz JYNRANKRHBZTCI-UHFFFAOYSA-N 0 1 377.238 3.204 10 30 GGEEMN CN1CCC(C#N)(NC(=O)c2ccc3scc(Br)c3c2)CC1 ZINC000566718805 567183340 /nfs/dbraw/zinc/18/33/40/567183340.db2.gz KOGWKTKTCPIJIH-UHFFFAOYSA-N 0 1 378.295 3.382 10 30 GGEEMN N#C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000475386781 567245130 /nfs/dbraw/zinc/24/51/30/567245130.db2.gz BYTWEGSHQGJBGU-AWEZNQCLSA-N 0 1 376.166 3.058 10 30 GGEEMN C=CCn1cc(CN[C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)nn1 ZINC000639275703 567299231 /nfs/dbraw/zinc/29/92/31/567299231.db2.gz QOMWKJDMUPUBNQ-SJLPKXTDSA-N 0 1 390.329 3.152 10 30 GGEEMN C=CCn1cc(CN[C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)nn1 ZINC000639275701 567299414 /nfs/dbraw/zinc/29/94/14/567299414.db2.gz QOMWKJDMUPUBNQ-FUHWJXTLSA-N 0 1 390.329 3.152 10 30 GGEEMN N#C[C@@H](c1ccc(Br)cc1)N1CCN(CCC[C@@H]2CCOC2)CC1 ZINC000592088779 567312856 /nfs/dbraw/zinc/31/28/56/567312856.db2.gz CUTWPXGVTREBOX-APWZRJJASA-N 0 1 392.341 3.448 10 30 GGEEMN N#C[C@H](c1ccc(Br)cc1)N1CCN(CCC[C@@H]2CCOC2)CC1 ZINC000592088782 567312945 /nfs/dbraw/zinc/31/29/45/567312945.db2.gz CUTWPXGVTREBOX-VQIMIIECSA-N 0 1 392.341 3.448 10 30 GGEEMN COc1ncc(S(=O)(=O)Nc2cccc(OCCCC#N)c2)cc1Cl ZINC000592351224 567331005 /nfs/dbraw/zinc/33/10/05/567331005.db2.gz IARZYTQGMSHDOJ-UHFFFAOYSA-N 0 1 381.841 3.227 10 30 GGEEMN COc1ncc(S(=O)(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1Cl ZINC000592353703 567332161 /nfs/dbraw/zinc/33/21/61/567332161.db2.gz IXARWGZILLESBE-UHFFFAOYSA-N 0 1 381.841 3.203 10 30 GGEEMN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCC)CC1 ZINC000549296620 567383748 /nfs/dbraw/zinc/38/37/48/567383748.db2.gz LUJWHYXGLGLEHK-UHFFFAOYSA-N 0 1 393.333 3.144 10 30 GGEEMN N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000549520679 567395628 /nfs/dbraw/zinc/39/56/28/567395628.db2.gz YOPNTVUDUAEFIK-SNVBAGLBSA-N 0 1 381.788 3.250 10 30 GGEEMN COC1(CS(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)CCOCC1 ZINC000593204786 567396318 /nfs/dbraw/zinc/39/63/18/567396318.db2.gz QWDJGEVQXWGMLF-AWEZNQCLSA-N 0 1 384.523 3.018 10 30 GGEEMN N#Cc1sccc1S(=O)(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000593202974 567396860 /nfs/dbraw/zinc/39/68/60/567396860.db2.gz BALJNKJOLBTHGH-UHFFFAOYSA-N 0 1 378.475 3.226 10 30 GGEEMN CN1CCC[C@H](CNS(=O)(=O)c2ccsc2C#N)[C@@H]1c1cccs1 ZINC000593550744 567423902 /nfs/dbraw/zinc/42/39/02/567423902.db2.gz IYBMZWUTXYLWNF-MLGOLLRUSA-N 0 1 381.548 3.043 10 30 GGEEMN Cc1cc(C2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)n[nH]1 ZINC000593582886 567426864 /nfs/dbraw/zinc/42/68/64/567426864.db2.gz DQYFRFVZKJPIEJ-UHFFFAOYSA-N 0 1 387.281 3.301 10 30 GGEEMN N#Cc1ccc(Br)c(CN2CC3(CCOCC3)CC[C@@H]2CO)c1 ZINC000528646379 567444308 /nfs/dbraw/zinc/44/43/08/567444308.db2.gz UGEVCHNUPUTWMU-MRXNPFEDSA-N 0 1 379.298 3.074 10 30 GGEEMN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000570038042 567453816 /nfs/dbraw/zinc/45/38/16/567453816.db2.gz RORLEJNCFCHSKU-RHSMWYFYSA-N 0 1 378.856 3.270 10 30 GGEEMN N#Cc1ccc(OCCNC(=O)c2cc(Br)cc3nc[nH]c32)cc1 ZINC000502987677 567464054 /nfs/dbraw/zinc/46/40/54/567464054.db2.gz IEUFRBXGAXRELI-UHFFFAOYSA-N 0 1 385.221 3.006 10 30 GGEEMN C=CCNC(=O)c1ccc(NC(=O)c2cc(Br)cc3nc[nH]c32)cc1 ZINC000503124477 567469851 /nfs/dbraw/zinc/46/98/51/567469851.db2.gz FFOZZIMXGJLUSK-UHFFFAOYSA-N 0 1 399.248 3.494 10 30 GGEEMN N#C[C@H](c1ccc(Cl)cc1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000619784777 567479834 /nfs/dbraw/zinc/47/98/34/567479834.db2.gz QOIGZFRHRQISSL-MRXNPFEDSA-N 0 1 375.822 3.491 10 30 GGEEMN N#Cc1ccc(C2(NCc3ccc(S(N)(=O)=O)c(Cl)c3)CCC2)cc1 ZINC000594519923 567483652 /nfs/dbraw/zinc/48/36/52/567483652.db2.gz MRRZUBIXKFLNDT-UHFFFAOYSA-N 0 1 375.881 3.028 10 30 GGEEMN N#Cc1cnc2c(Br)cccc2c1NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000594588971 567488826 /nfs/dbraw/zinc/48/88/26/567488826.db2.gz GPESLKVQFZNRBH-CYBMUJFWSA-N 0 1 399.252 3.451 10 30 GGEEMN N#Cc1ccc([C@H](NCC2(Cc3ccc(Br)cc3)CC2)C(N)=O)cc1 ZINC000594728439 567504752 /nfs/dbraw/zinc/50/47/52/567504752.db2.gz OFDXVQBZECUGDD-SFHVURJKSA-N 0 1 398.304 3.460 10 30 GGEEMN Cc1cc(Br)c(CNC[C@H](O)COc2ccc(CC#N)cc2)s1 ZINC000594732800 567504783 /nfs/dbraw/zinc/50/47/83/567504783.db2.gz NUFSYNPONWWDTH-AWEZNQCLSA-N 0 1 395.322 3.415 10 30 GGEEMN C=CCn1c(-c2ccccc2Br)nnc1N1CCN(CC)CC1 ZINC000570761511 567510923 /nfs/dbraw/zinc/51/09/23/567510923.db2.gz NGZOUGRXAQVHSV-UHFFFAOYSA-N 0 1 376.302 3.036 10 30 GGEEMN COC[C@@](C)(NS(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000479171630 567512385 /nfs/dbraw/zinc/51/23/85/567512385.db2.gz YQYJRUWFIYKMIF-SNVBAGLBSA-N 0 1 383.285 3.090 10 30 GGEEMN C=CCCn1cc(C(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)nn1 ZINC000530031999 567563918 /nfs/dbraw/zinc/56/39/18/567563918.db2.gz DSHXHOFSRVJDIT-OAHLLOKOSA-N 0 1 382.295 3.194 10 30 GGEEMN COc1cc(CNC(=O)c2n[nH]c3ccc(Br)cc32)ccc1C#N ZINC000460614361 567694375 /nfs/dbraw/zinc/69/43/75/567694375.db2.gz WILVNMSHZOLHCU-UHFFFAOYSA-N 0 1 385.221 3.136 10 30 GGEEMN C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC)CC1 ZINC000460961947 567713355 /nfs/dbraw/zinc/71/33/55/567713355.db2.gz XAIIIFJCPJWXHU-UHFFFAOYSA-N 0 1 390.329 3.426 10 30 GGEEMN C=C(C)[C@H](CC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)OCC ZINC000533680048 567782028 /nfs/dbraw/zinc/78/20/28/567782028.db2.gz RDDBDFMMGQGGCZ-AWEZNQCLSA-N 0 1 393.285 3.222 10 30 GGEEMN C=C(C)[C@H](CC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)OCC ZINC000533680048 567782035 /nfs/dbraw/zinc/78/20/35/567782035.db2.gz RDDBDFMMGQGGCZ-AWEZNQCLSA-N 0 1 393.285 3.222 10 30 GGEEMN COC[C@](C)(NS(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(F)(F)F ZINC000444057228 567787763 /nfs/dbraw/zinc/78/77/63/567787763.db2.gz LYPKIQXLWOTFTK-JTQLQIEISA-N 0 1 383.285 3.090 10 30 GGEEMN CC([NH+]=Nc1nnc(SCC(=O)NC2CC2)[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000020159852 570245045 /nfs/dbraw/zinc/24/50/45/570245045.db2.gz XNOOCKBWVLBMSG-SSDVNMTOSA-N 0 1 388.541 3.180 10 30 GGEEMN C=CCN(C[C@H](O)COC(C)(C)C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146294 570549017 /nfs/dbraw/zinc/54/90/17/570549017.db2.gz QOTMKMPMMABWMU-ROUUACIJSA-N 0 1 380.916 3.497 10 30 GGEEMN C=CCOC[C@@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147245 570549608 /nfs/dbraw/zinc/54/96/08/570549608.db2.gz LEKWEXHKYFYHGV-VXKWHMMOSA-N 0 1 398.478 3.384 10 30 GGEEMN C[C@H](NC(=O)c1ccoc1)C(=O)Nc1nc(-c2ccccc2OC(F)F)n[nH]1 ZINC000058314227 570726994 /nfs/dbraw/zinc/72/69/94/570726994.db2.gz VXNSKPZSWBGBIO-VIFPVBQESA-N 0 1 391.334 3.073 10 30 GGEEMN C=CCOC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984037 570911163 /nfs/dbraw/zinc/91/11/63/570911163.db2.gz SCYJGCSVVGWUFG-FGZHOGPDSA-N 0 1 398.478 3.384 10 30 GGEEMN C=CCOC[C@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984037 570911166 /nfs/dbraw/zinc/91/11/66/570911166.db2.gz SCYJGCSVVGWUFG-FGZHOGPDSA-N 0 1 398.478 3.384 10 30 GGEEMN CCOC(=O)c1ccc(Oc2nc3ccccc3nc2C(C#N)C(=O)OC)cc1 ZINC000032923283 570934820 /nfs/dbraw/zinc/93/48/20/570934820.db2.gz OGMABMKPYYDCSO-HNNXBMFYSA-N 0 1 391.383 3.379 10 30 GGEEMN N#Cc1ccc(CN2CCCN(C(=O)N[C@H]3C[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000067565846 1409166320 /nfs/dbraw/zinc/16/63/20/1409166320.db2.gz ATPPWNJKVIGEFS-VXKWHMMOSA-N 0 1 392.478 3.471 10 30 GGEEMN COC(=O)CCCN1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000079022086 1409950993 /nfs/dbraw/zinc/95/09/93/1409950993.db2.gz BXQNFTZQNBDTTC-UHFFFAOYSA-N 0 1 377.488 3.296 10 30 GGEEMN N#Cc1ccc(NS(=O)(=O)c2c[nH]c(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000096321623 1410326847 /nfs/dbraw/zinc/32/68/47/1410326847.db2.gz QYTCAROMDINJGN-UHFFFAOYSA-N 0 1 391.412 3.404 10 30 GGEEMN COc1cc(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)cc([N+](=O)[O-])c1O ZINC000096920250 1410337378 /nfs/dbraw/zinc/33/73/78/1410337378.db2.gz LYSCAWOJEBMNQM-FPLPWBNLSA-N 0 1 382.372 3.332 10 30 GGEEMN Cc1ccc(N(CCC#N)C(=O)CN2CC[C@H](C)[C@H](n3ccnc3)C2)cc1C ZINC000129841832 1416272640 /nfs/dbraw/zinc/27/26/40/1416272640.db2.gz BOHANJWNGJZYLZ-GHTZIAJQSA-N 0 1 379.508 3.330 10 30 GGEEMN C[C@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccccc1SCC#N ZINC000173484082 1426657014 /nfs/dbraw/zinc/65/70/14/1426657014.db2.gz ANSAKEOSRVCXJV-SFHVURJKSA-N 0 1 394.544 3.447 10 30 GGEEMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CC1(O)CCCCCC1 ZINC000187357846 1431707507 /nfs/dbraw/zinc/70/75/07/1431707507.db2.gz CTPSDBGLXFXWJW-CQSZACIVSA-N 0 1 375.538 3.453 10 30 GGEEMN Cc1csc(=Nc2ccc(C#N)c(Cl)c2)n1[C@H](C)CN1CCN(C)CC1 ZINC000255290286 1433879262 /nfs/dbraw/zinc/87/92/62/1433879262.db2.gz BIARXGCYPPYWGC-CQSZACIVSA-N 0 1 389.956 3.424 10 30 GGEEMN COCCNC1=Nc2ncccc2NC12CCN(C(=O)c1sccc1C)CC2 ZINC000096309686 522829875 /nfs/dbraw/zinc/82/98/75/522829875.db2.gz BWDHEVXPJJMWDL-UHFFFAOYSA-N 0 1 399.520 3.009 10 30 biogenic GGEEMN C=CCCCN(C)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000120516281 564323573 /nfs/dbraw/zinc/32/35/73/564323573.db2.gz DZOSACKAJHZYGK-UHFFFAOYSA-N 0 1 378.274 3.342 10 30 GGEEMN C=CCCCN(C)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000120516281 564323578 /nfs/dbraw/zinc/32/35/78/564323578.db2.gz DZOSACKAJHZYGK-UHFFFAOYSA-N 0 1 378.274 3.342 10 30 GGEEMN C#CCOc1ccc(Br)cc1CNCc1cccnc1-n1ccnc1 ZINC000042226971 564445023 /nfs/dbraw/zinc/44/50/23/564445023.db2.gz OFPZRTBLNIVFPL-UHFFFAOYSA-N 0 1 397.276 3.332 10 30 GGEEMN N#Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)ccc1Cl ZINC000055571975 564624225 /nfs/dbraw/zinc/62/42/25/564624225.db2.gz PRBNRBPPAJFKEQ-UHFFFAOYSA-N 0 1 394.243 3.247 10 30 GGEEMN N#Cc1cc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)ccc1Cl ZINC000055594864 564625292 /nfs/dbraw/zinc/62/52/92/564625292.db2.gz SJCYXDZVQUWSQM-UHFFFAOYSA-N 0 1 391.758 3.349 10 30 GGEEMN COCCCOc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000057120924 564660547 /nfs/dbraw/zinc/66/05/47/564660547.db2.gz HNSDZEGBMVXYAB-UHFFFAOYSA-N 0 1 380.853 3.428 10 30 GGEEMN Cc1[nH]c2nc(S(=O)(=O)CCCC(C)(C)C#N)nc-2cc1Br ZINC000152053919 564946154 /nfs/dbraw/zinc/94/61/54/564946154.db2.gz LNQOWEYFDVGRGJ-UHFFFAOYSA-N 0 1 385.287 3.133 10 30 GGEEMN N#CC1(NC(=O)c2cccnc2Br)CCN(Cc2ccccc2)CC1 ZINC000371545419 565199352 /nfs/dbraw/zinc/19/93/52/565199352.db2.gz VFIFRUSIIITNBN-UHFFFAOYSA-N 0 1 399.292 3.132 10 30 GGEEMN CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1cccs1 ZINC000373735620 565299562 /nfs/dbraw/zinc/29/95/62/565299562.db2.gz ILTZJNKRAUBILN-BLLLJJGKSA-N 0 1 381.548 3.043 10 30 GGEEMN CN1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1cccs1 ZINC000373735622 565299766 /nfs/dbraw/zinc/29/97/66/565299766.db2.gz ILTZJNKRAUBILN-MLGOLLRUSA-N 0 1 381.548 3.043 10 30 GGEEMN N#CC1(NC(=O)c2cccc(Br)n2)CCN(Cc2ccccc2)CC1 ZINC000374865407 565358436 /nfs/dbraw/zinc/35/84/36/565358436.db2.gz QWKUKJQCPWRDQP-UHFFFAOYSA-N 0 1 399.292 3.132 10 30 GGEEMN C#CCN1CCC(C(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000375344587 565382294 /nfs/dbraw/zinc/38/22/94/565382294.db2.gz GRCMJBOKQWSTBL-QGZVFWFLSA-N 0 1 391.309 3.076 10 30 GGEEMN N#Cc1ccsc1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000171222392 565419151 /nfs/dbraw/zinc/41/91/51/565419151.db2.gz GVVNODXMVNJJAY-UHFFFAOYSA-N 0 1 388.250 3.097 10 30 GGEEMN N#Cc1ccsc1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000171222392 565419158 /nfs/dbraw/zinc/41/91/58/565419158.db2.gz GVVNODXMVNJJAY-UHFFFAOYSA-N 0 1 388.250 3.097 10 30 GGEEMN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1ccc(Br)cc1OC ZINC000190458722 565533506 /nfs/dbraw/zinc/53/35/06/565533506.db2.gz GGIDHMJYKPIGKZ-QWHCGFSZSA-N 0 1 382.302 3.116 10 30 GGEEMN Cc1nc(C)n(C[C@H]2CCCN(Cc3cc(C#N)ccc3Br)C2)n1 ZINC000191786058 565631550 /nfs/dbraw/zinc/63/15/50/565631550.db2.gz OPPIVQQANQCXBW-INIZCTEOSA-N 0 1 388.313 3.441 10 30 GGEEMN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409848928 565643091 /nfs/dbraw/zinc/64/30/91/565643091.db2.gz FYYZWCUMRLJFGT-XJKSGUPXSA-N 0 1 379.298 3.451 10 30 GGEEMN N#Cc1csc(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)c1 ZINC000175819381 565725784 /nfs/dbraw/zinc/72/57/84/565725784.db2.gz JOBVORWLOFBAAT-UHFFFAOYSA-N 0 1 388.250 3.097 10 30 GGEEMN N#Cc1csc(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000175819381 565725789 /nfs/dbraw/zinc/72/57/89/565725789.db2.gz JOBVORWLOFBAAT-UHFFFAOYSA-N 0 1 388.250 3.097 10 30 GGEEMN Cc1sc(Br)c(C(=O)NC[C@H]2CCCCN2CCO)c1C ZINC000331346467 565755565 /nfs/dbraw/zinc/75/55/65/565755565.db2.gz WDQJQOSBIACXLM-GFCCVEGCSA-N 0 1 375.332 3.279 10 30 GGEEMN C[C@H](C(=O)[O-])[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Br)cc1 ZINC000417639342 566169419 /nfs/dbraw/zinc/16/94/19/566169419.db2.gz LXOPYJKFJIPYSA-XPTSAGLGSA-N 0 1 380.267 3.329 10 30 GGEEMN CN(Cc1cc(Br)ccc1F)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599272997 566251893 /nfs/dbraw/zinc/25/18/93/566251893.db2.gz UVSXBPNGSOKWPF-HNNXBMFYSA-N 0 1 385.277 3.091 10 30 GGEEMN C=CCOc1c(Br)cc(CN2CC[C@@H]3COC[C@H]3C2)cc1OC ZINC000668703908 566258790 /nfs/dbraw/zinc/25/87/90/566258790.db2.gz BBGLMFPDNSOTBZ-HUUCEWRRSA-N 0 1 382.298 3.491 10 30 GGEEMN CCSc1ccc(CC(=O)NC2(C#N)CCN(C)CC2)c(Br)c1 ZINC000599380460 566260349 /nfs/dbraw/zinc/26/03/49/566260349.db2.gz PAZMLTUSWDDYNI-UHFFFAOYSA-N 0 1 396.354 3.208 10 30 GGEEMN COc1cc(Br)ccc1[C@H]1CCCN1CCC(=O)N(C)CCC#N ZINC000599573236 566275338 /nfs/dbraw/zinc/27/53/38/566275338.db2.gz NJYGPLLHWQRKOY-MRXNPFEDSA-N 0 1 394.313 3.357 10 30 GGEEMN N#CC1(CNC[C@@H](O)COc2cc(F)cc(Br)c2)CCCCC1 ZINC000600758074 566364705 /nfs/dbraw/zinc/36/47/05/566364705.db2.gz WLPSVMIVMQXMJS-OAHLLOKOSA-N 0 1 385.277 3.392 10 30 GGEEMN N#CC1(NC(=O)c2n[nH]c3ccc(I)cc32)CCCCC1 ZINC000463622244 566422467 /nfs/dbraw/zinc/42/24/67/566422467.db2.gz IIEUTWIBTWDGBF-UHFFFAOYSA-N 0 1 394.216 3.124 10 30 GGEEMN CN(Cc1ccc(C#N)cc1)C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000484273851 566423479 /nfs/dbraw/zinc/42/34/79/566423479.db2.gz FZPFLKMGACKPIV-UHFFFAOYSA-N 0 1 396.244 3.434 10 30 GGEEMN N#CC1(C[C@@H](O)CSc2nc(-c3ccccc3Br)n[nH]2)CC1 ZINC000601953724 566433071 /nfs/dbraw/zinc/43/30/71/566433071.db2.gz OAXRMFZLCRWNFU-SNVBAGLBSA-N 0 1 379.283 3.381 10 30 GGEEMN COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000603971293 566549287 /nfs/dbraw/zinc/54/92/87/566549287.db2.gz HBKOHAZKWCSHHD-UHFFFAOYSA-N 0 1 385.228 3.452 10 30 GGEEMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560012482 566585483 /nfs/dbraw/zinc/58/54/83/566585483.db2.gz PYLLGMWISZYPDF-UHFFFAOYSA-N 0 1 396.222 3.338 10 30 GGEEMN CO[C@H](CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)C1CC1 ZINC000425413094 566640350 /nfs/dbraw/zinc/64/03/50/566640350.db2.gz AWQKZYLVBKOKAD-ZWKOTPCHSA-N 0 1 378.314 3.056 10 30 GGEEMN CN1CC[C@@H](NC(=O)c2ccc(Br)cc2C#N)[C@H]1c1ccccc1 ZINC000450437950 566670833 /nfs/dbraw/zinc/67/08/33/566670833.db2.gz LRBFELQLSINURO-QZTJIDSGSA-N 0 1 384.277 3.496 10 30 GGEEMN N#Cc1cc(S(=O)(=O)NCc2nc3ccc(Cl)cc3[nH]2)ccc1Cl ZINC000609495031 566767038 /nfs/dbraw/zinc/76/70/38/566767038.db2.gz FADNVATXXFLIQY-UHFFFAOYSA-N 0 1 381.244 3.220 10 30 GGEEMN Cc1cc(C)c(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1Br ZINC000427327872 566767861 /nfs/dbraw/zinc/76/78/61/566767861.db2.gz NFQSIPUNOGBSOL-UHFFFAOYSA-N 0 1 380.267 3.442 10 30 GGEEMN C=C[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000428033464 566812478 /nfs/dbraw/zinc/81/24/78/566812478.db2.gz AKTSSSGWDWKOEU-LLVKDONJSA-N 0 1 381.217 3.348 10 30 GGEEMN N#Cc1cc(Cl)cc(Br)c1N1CC[C@@H](CN2CCOCC2)C1 ZINC000429210086 566914566 /nfs/dbraw/zinc/91/45/66/566914566.db2.gz GSYDBZBHXMLNBK-LBPRGKRZSA-N 0 1 384.705 3.133 10 30 GGEEMN N#Cc1cc(Cl)cc(Br)c1N1CC[C@H](CN2CCOCC2)C1 ZINC000429210085 566915635 /nfs/dbraw/zinc/91/56/35/566915635.db2.gz GSYDBZBHXMLNBK-GFCCVEGCSA-N 0 1 384.705 3.133 10 30 GGEEMN C=CCCn1cc(C[NH2+][C@H](c2ccc(Br)cc2)[C@@H](C)C(=O)[O-])nn1 ZINC000656567622 566917401 /nfs/dbraw/zinc/91/74/01/566917401.db2.gz XEBVKPITLYEETL-WBMJQRKESA-N 0 1 393.285 3.168 10 30 GGEEMN CC(C)(CCC#N)CNC(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000563994478 566935149 /nfs/dbraw/zinc/93/51/49/566935149.db2.gz LAGUFVFZOSJSOA-UHFFFAOYSA-N 0 1 376.254 3.350 10 30 GGEEMN CN1CCC[C@@H](CNS(=O)(=O)CC2(C#N)CCCC2)[C@H]1c1cccs1 ZINC000544714759 566987199 /nfs/dbraw/zinc/98/71/99/566987199.db2.gz RKUZUIWPLAKPDR-RDJZCZTQSA-N 0 1 381.567 3.134 10 30 GGEEMN Cc1ccsc1[C@H](CO)NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000494687973 567016698 /nfs/dbraw/zinc/01/66/98/567016698.db2.gz RVJSEDPYLITRIK-INIZCTEOSA-N 0 1 377.897 3.280 10 30 GGEEMN N#Cc1ccc(-c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)cn1 ZINC000585731221 567083985 /nfs/dbraw/zinc/08/39/85/567083985.db2.gz BGHIBQGIGGITJI-UHFFFAOYSA-N 0 1 394.192 3.218 10 30 GGEEMN C=CCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC)CC1 ZINC000567282797 567233261 /nfs/dbraw/zinc/23/32/61/567233261.db2.gz LQHOOGJYOQXQJC-UHFFFAOYSA-N 0 1 376.302 3.036 10 30 GGEEMN N#Cc1cc(F)c(S(=O)(=O)NCc2cc(F)c(Cl)cc2F)c(F)c1 ZINC000433443409 567251035 /nfs/dbraw/zinc/25/10/35/567251035.db2.gz MDCOVCADPBFNHR-UHFFFAOYSA-N 0 1 378.734 3.247 10 30 GGEEMN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000591744841 567293946 /nfs/dbraw/zinc/29/39/46/567293946.db2.gz RHOYMQNWJADUSE-BLLLJJGKSA-N 0 1 379.243 3.328 10 30 GGEEMN N#Cc1ccc(S(=O)(=O)CCNC2(c3cccc(Cl)c3)CCC2)nc1 ZINC000592184683 567319781 /nfs/dbraw/zinc/31/97/81/567319781.db2.gz SBOOCLVBVYBZNP-UHFFFAOYSA-N 0 1 375.881 3.049 10 30 GGEEMN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CCSc3c(F)cccc32)c1 ZINC000548908162 567360441 /nfs/dbraw/zinc/36/04/41/567360441.db2.gz BQGRPCRCWLVQHV-KRWDZBQOSA-N 0 1 376.478 3.298 10 30 GGEEMN N#Cc1ccc(S(=O)(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)s1 ZINC000435438970 567367448 /nfs/dbraw/zinc/36/74/48/567367448.db2.gz SBWIZOGAJGCHQJ-LBPRGKRZSA-N 0 1 382.335 3.480 10 30 GGEEMN C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2ccsc2C#N)CC1 ZINC000593547823 567423526 /nfs/dbraw/zinc/42/35/26/567423526.db2.gz ZRBSEPLUQPCCAH-AWEZNQCLSA-N 0 1 375.519 3.124 10 30 GGEEMN N#C[C@@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1ccc(Br)cc1 ZINC000502225582 567424095 /nfs/dbraw/zinc/42/40/95/567424095.db2.gz GLELBENTPJSSBY-OAHLLOKOSA-N 0 1 382.221 3.229 10 30 GGEEMN CSc1[n-]c(=O)c(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1C#N ZINC000478031355 567434417 /nfs/dbraw/zinc/43/44/17/567434417.db2.gz GLQZJCTVDSMRAF-UHFFFAOYSA-N 0 1 376.869 3.348 10 30 GGEEMN Cc1[nH]ncc1C1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593690810 567436215 /nfs/dbraw/zinc/43/62/15/567436215.db2.gz ZKFJIRDUHPUNNB-UHFFFAOYSA-N 0 1 387.281 3.301 10 30 GGEEMN N#Cc1ccc(CN2CC3(CCOCC3)CC[C@H]2CO)c(Br)c1 ZINC000528645743 567444805 /nfs/dbraw/zinc/44/48/05/567444805.db2.gz PRDANDSBYBLZOF-INIZCTEOSA-N 0 1 379.298 3.074 10 30 GGEEMN N#Cc1ccc(C2(NCC(=O)Nc3ccc(Br)cn3)CCC2)cc1 ZINC000594033072 567454080 /nfs/dbraw/zinc/45/40/80/567454080.db2.gz GWHIHUPZHZPVCF-UHFFFAOYSA-N 0 1 385.265 3.323 10 30 GGEEMN N#Cc1c(F)cc(CNC(=O)c2n[nH]c3ccc(Br)cc32)cc1F ZINC000552036749 567552178 /nfs/dbraw/zinc/55/21/78/567552178.db2.gz ZSBPQYHJPCGMPO-UHFFFAOYSA-N 0 1 391.175 3.405 10 30 GGEEMN C[C@@H](CNc1c(C#N)cnc2c(Br)cccc21)CN1CCOCC1 ZINC000440646329 567636760 /nfs/dbraw/zinc/63/67/60/567636760.db2.gz KRLYWMZCQHOVFP-ZDUSSCGKSA-N 0 1 389.297 3.249 10 30 GGEEMN COc1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000481631075 567693154 /nfs/dbraw/zinc/69/31/54/567693154.db2.gz XERDTAJBLWTMLZ-UHFFFAOYSA-N 0 1 382.825 3.038 10 30 GGEEMN C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCN(CC)CC1 ZINC000460959739 567713547 /nfs/dbraw/zinc/71/35/47/567713547.db2.gz OEOYBSLEIPSDQJ-UHFFFAOYSA-N 0 1 390.329 3.426 10 30 GGEEMN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCCN(C)C1 ZINC000623650056 567728402 /nfs/dbraw/zinc/72/84/02/567728402.db2.gz GNVMZIAGYZONOD-HNNXBMFYSA-N 0 1 384.293 3.380 10 30 GGEEMN C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C2CC2)CC1 ZINC000508851346 567770596 /nfs/dbraw/zinc/77/05/96/567770596.db2.gz ZCDDYMOIQDJGCZ-UHFFFAOYSA-N 0 1 388.313 3.178 10 30 GGEEMN N#Cc1ccc(NC(=O)CCN2CCc3nccc(Br)c3C2)cc1 ZINC000598945563 567800172 /nfs/dbraw/zinc/80/01/72/567800172.db2.gz LIFMLYSMJLMKFV-UHFFFAOYSA-N 0 1 385.265 3.103 10 30 GGEEMN O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000053526512 570324792 /nfs/dbraw/zinc/32/47/92/570324792.db2.gz VCEMBBDBGUJMOH-GFCCVEGCSA-N 0 1 382.449 3.069 10 30 GGEEMN COc1ccc(-c2n[nH]c(NC(=O)CN3Cc4ccccc4C3)n2)c(OC)c1 ZINC000089434868 570452811 /nfs/dbraw/zinc/45/28/11/570452811.db2.gz ZMYWRGKMOBWOLY-UHFFFAOYSA-N 0 1 379.420 3.093 10 30 GGEEMN C=CCOC[C@@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1 ZINC000036096028 570535446 /nfs/dbraw/zinc/53/54/46/570535446.db2.gz YXAZSRSCNATWIG-FQEVSTJZSA-N 0 1 389.467 3.409 10 30 GGEEMN C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1nc(-c2ccccc2OC(F)F)n[nH]1 ZINC000058314230 570726766 /nfs/dbraw/zinc/72/67/66/570726766.db2.gz VXNSKPZSWBGBIO-SECBINFHSA-N 0 1 391.334 3.073 10 30 GGEEMN N#Cc1ccc(-c2ccc(OCC(=O)NN3Cc4ccccc4C3=N)cc2)cc1 ZINC000102189099 570842845 /nfs/dbraw/zinc/84/28/45/570842845.db2.gz WOPOBXJZRVRHER-UHFFFAOYSA-N 0 1 382.423 3.476 10 30 GGEEMN CN(C)c1nc(=NN=Cc2cc(Cl)ccc2O)nc(NCc2ccccc2)[nH]1 ZINC000252592403 571001626 /nfs/dbraw/zinc/00/16/26/571001626.db2.gz BFGLCDBDQDOIFF-UHFFFAOYSA-N 0 1 397.870 3.355 10 30 GGEEMN C=CCNC(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[nH]c1=S ZINC000020331364 1399344894 /nfs/dbraw/zinc/34/48/94/1399344894.db2.gz QTBZSCAPYMLTLE-UHFFFAOYSA-N 0 1 386.477 3.021 10 30 GGEEMN COC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000121713899 1414233141 /nfs/dbraw/zinc/23/31/41/1414233141.db2.gz VCUDICDAMFHXAC-UHFFFAOYSA-N 0 1 384.335 3.164 10 30 GGEEMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCN(CCc2ccccc2)CC1 ZINC000127496579 1415801166 /nfs/dbraw/zinc/80/11/66/1415801166.db2.gz AWCDJIWMXVLPEZ-DQBMGFJSSA-N 0 1 396.579 3.166 10 30 GGEEMN CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000129540724 1416224875 /nfs/dbraw/zinc/22/48/75/1416224875.db2.gz GDKLPXCPOVSPAJ-WIYYLYMNSA-N 0 1 395.507 3.112 10 30 GGEEMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CC1(O)CCCCCC1 ZINC000187357825 1431707548 /nfs/dbraw/zinc/70/75/48/1431707548.db2.gz CTPSDBGLXFXWJW-AWEZNQCLSA-N 0 1 375.538 3.453 10 30 GGEEMN CCOC(=O)C(N=Nc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000254502074 1433871413 /nfs/dbraw/zinc/87/14/13/1433871413.db2.gz WRBISAJXHGRSOW-UHFFFAOYSA-N 0 1 375.768 3.462 10 30 aggregator GGEEMN Cc1[nH]c(S(=O)(=O)CCCC2(C#N)CCOCC2)nc1Cc1ccccc1 ZINC000281718874 1435819328 /nfs/dbraw/zinc/81/93/28/1435819328.db2.gz BZEWTCNSYHNJEZ-UHFFFAOYSA-N 0 1 387.505 3.183 10 30 GGEEMN N#CC1(C(=O)N2CCC3(CC2)CN(Cc2ccco2)Cc2ccccc23)CC1 ZINC000096079564 211300891 /nfs/dbraw/zinc/30/08/91/211300891.db2.gz SXZFDUILYSCKQN-UHFFFAOYSA-N 0 1 375.472 3.459 10 30 GGEEMN N#Cc1cccc(NC(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)c1 ZINC000082121549 211161156 /nfs/dbraw/zinc/16/11/56/211161156.db2.gz JXPFJYOLTISKLH-UHFFFAOYSA-N 0 1 378.480 3.225 10 30 GGEEMN C=CCn1nc(C(=O)[O-])c2c1CC[C@@H]([N@@H+](C)Cc1cccc3cnccc31)C2 ZINC000067740489 519289930 /nfs/dbraw/zinc/28/99/30/519289930.db2.gz LTHZLWCAPCXOIR-QGZVFWFLSA-N 0 1 376.460 3.305 10 30 GGEEMN Cc1n[nH]c(C(N)=O)c1N=Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000098209990 525474492 /nfs/dbraw/zinc/47/44/92/525474492.db2.gz YXOZFPOHFITBKF-AUEPDCJTSA-N 0 1 388.431 3.103 10 30 GGEEMN N#CC(C(=O)NCCc1ccc2c(c1)CCO2)c1nc2cc(F)ccc2s1 ZINC000095453899 526505753 /nfs/dbraw/zinc/50/57/53/526505753.db2.gz CXLFDBJCGPRUGS-OAHLLOKOSA-N 0 1 381.432 3.336 10 30 GGEEMN O=C(c1ccco1)N1CC[C@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000096309961 526832021 /nfs/dbraw/zinc/83/20/21/526832021.db2.gz HRNYGHYCUGTFJY-JOCHJYFZSA-N 0 1 387.443 3.396 10 30 biogenic GGEEMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccn1 ZINC000103125266 526955466 /nfs/dbraw/zinc/95/54/66/526955466.db2.gz UFCWSYFXRZXPEL-HQMFNGAOSA-N 0 1 389.386 3.238 10 30 GGEEMN C=CCN(Cc1ccc(Br)s1)C(=O)CSc1nnc(C)[nH]1 ZINC000012802001 564271287 /nfs/dbraw/zinc/27/12/87/564271287.db2.gz GNQIKNZDBJKISC-UHFFFAOYSA-N 0 1 387.328 3.244 10 30 GGEEMN C=CCN(Cc1ccc(Br)s1)C(=O)CSc1nc(C)n[nH]1 ZINC000012802001 564271290 /nfs/dbraw/zinc/27/12/90/564271290.db2.gz GNQIKNZDBJKISC-UHFFFAOYSA-N 0 1 387.328 3.244 10 30 GGEEMN C=CC1CCN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CC1 ZINC000120507768 564323916 /nfs/dbraw/zinc/32/39/16/564323916.db2.gz IBMFAXSGANTOCE-UHFFFAOYSA-N 0 1 390.285 3.342 10 30 GGEEMN C=CC1CCN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000120507768 564323919 /nfs/dbraw/zinc/32/39/19/564323919.db2.gz IBMFAXSGANTOCE-UHFFFAOYSA-N 0 1 390.285 3.342 10 30 GGEEMN C=CCN(CC=C)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000120511106 564324202 /nfs/dbraw/zinc/32/42/02/564324202.db2.gz VFKXZKGZIGPQFY-UHFFFAOYSA-N 0 1 376.258 3.118 10 30 GGEEMN C=CCN(CC=C)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000120511106 564324203 /nfs/dbraw/zinc/32/42/03/564324203.db2.gz VFKXZKGZIGPQFY-UHFFFAOYSA-N 0 1 376.258 3.118 10 30 GGEEMN C[C@H](C#N)NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000125752971 564525779 /nfs/dbraw/zinc/52/57/79/564525779.db2.gz BZBRKRGIJHJCPZ-SNVBAGLBSA-N 0 1 398.271 3.436 10 30 GGEEMN N#Cc1cc(S(=O)(=O)Nc2cc(Br)ccc2O)ccc1Cl ZINC000153992211 565021202 /nfs/dbraw/zinc/02/12/02/565021202.db2.gz QHLZFSCDANQXJK-UHFFFAOYSA-N 0 1 387.642 3.481 10 30 GGEEMN N#Cc1cc(Br)ccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000154120053 565026031 /nfs/dbraw/zinc/02/60/31/565026031.db2.gz OANUQGJFQPZBOS-GOSISDBHSA-N 0 1 387.277 3.119 10 30 GGEEMN N#Cc1cc(C#N)c(SCc2nc3ccc(Br)cc3[nH]2)nc1N ZINC000185464496 565202845 /nfs/dbraw/zinc/20/28/45/565202845.db2.gz KFRTYBSWULRAJD-UHFFFAOYSA-N 0 1 385.250 3.338 10 30 GGEEMN N#Cc1cc(S(=O)(=O)Nc2ccccc2O[C@H]2CCOC2)ccc1Cl ZINC000161041773 565269957 /nfs/dbraw/zinc/26/99/57/565269957.db2.gz YEAKEUJWZRKRAO-ZDUSSCGKSA-N 0 1 378.837 3.180 10 30 GGEEMN Cc1nsc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1C#N ZINC000297501438 565374488 /nfs/dbraw/zinc/37/44/88/565374488.db2.gz VBZBDXIAKTXXMM-CYBMUJFWSA-N 0 1 375.523 3.418 10 30 GGEEMN N#Cc1ccc(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)cc1 ZINC000171223656 565419283 /nfs/dbraw/zinc/41/92/83/565419283.db2.gz SMDHZSLFDPTBOW-UHFFFAOYSA-N 0 1 382.221 3.036 10 30 GGEEMN N#Cc1ccc(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000171223656 565419288 /nfs/dbraw/zinc/41/92/88/565419288.db2.gz SMDHZSLFDPTBOW-UHFFFAOYSA-N 0 1 382.221 3.036 10 30 GGEEMN COC(=O)c1cc(NC(=O)c2ccc(C#N)c(O)c2)ccc1Br ZINC000189127193 565444345 /nfs/dbraw/zinc/44/43/45/565444345.db2.gz USWNGQXZGBKCEP-UHFFFAOYSA-N 0 1 375.178 3.065 10 30 GGEEMN O=C(NC[C@H]1CCCCN1CCO)c1ccc(Br)cc1Cl ZINC000331341740 565755587 /nfs/dbraw/zinc/75/55/87/565755587.db2.gz STSVLKVDDYCPEF-GFCCVEGCSA-N 0 1 375.694 3.254 10 30 GGEEMN O=C(NC[C@@H]1CCCCN1CCO)c1cc(Cl)cc(F)c1Br ZINC000331349725 565756564 /nfs/dbraw/zinc/75/65/64/565756564.db2.gz XXOUDPBOCHGGMJ-NSHDSACASA-N 0 1 393.684 3.393 10 30 GGEEMN N#Cc1ccc(Br)cc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000414139077 565898116 /nfs/dbraw/zinc/89/81/16/565898116.db2.gz HXUJAJBCPPJPFV-SFHVURJKSA-N 0 1 387.277 3.119 10 30 GGEEMN COc1cc(CN[C@](C)(CO)c2ccc(Br)cc2)ccc1C#N ZINC000285437850 565907126 /nfs/dbraw/zinc/90/71/26/565907126.db2.gz IBWVLQKAVUSPQA-GOSISDBHSA-N 0 1 375.266 3.327 10 30 GGEEMN N#Cc1ccc(CN2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c(Br)c1 ZINC000245549568 565995534 /nfs/dbraw/zinc/99/55/34/565995534.db2.gz OBTGCXIKWQCLOZ-YJBOKZPZSA-N 0 1 388.309 3.296 10 30 GGEEMN C[C@H]1CCCc2nc(S(=O)(=O)Nc3cccc(C#N)c3Br)cn21 ZINC000416941931 566114636 /nfs/dbraw/zinc/11/46/36/566114636.db2.gz CQOBSPGWXHZTSV-JTQLQIEISA-N 0 1 395.282 3.215 10 30 GGEEMN CCOC(=O)C(=NNc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000252635505 566115409 /nfs/dbraw/zinc/11/54/09/566115409.db2.gz WXIKHXMAYWQWFH-UHFFFAOYSA-N 0 1 380.853 3.411 10 30 GGEEMN C[C@H](C(=O)[O-])[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Br)cc1 ZINC000417639340 566170059 /nfs/dbraw/zinc/17/00/59/566170059.db2.gz LXOPYJKFJIPYSA-LKFCYVNXSA-N 0 1 380.267 3.329 10 30 GGEEMN CCN(Cc1cc(Br)ccc1F)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599273976 566252233 /nfs/dbraw/zinc/25/22/33/566252233.db2.gz LBXJCILIDSZWMT-MRXNPFEDSA-N 0 1 399.304 3.481 10 30 GGEEMN CCN(Cc1ccccc1Br)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599273270 566252539 /nfs/dbraw/zinc/25/25/39/566252539.db2.gz BKUJPYWQNCZJAJ-MRXNPFEDSA-N 0 1 381.314 3.342 10 30 GGEEMN C[C@H]1Cc2ccc(Br)cc2CN1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599350904 566254586 /nfs/dbraw/zinc/25/45/86/566254586.db2.gz BHFXZUYXYXOMBS-KSSFIOAISA-N 0 1 393.325 3.267 10 30 GGEEMN CC[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000599358262 566256559 /nfs/dbraw/zinc/25/65/59/566256559.db2.gz CBPMDZZLFGZJIH-RYUDHWBXSA-N 0 1 377.432 3.274 10 30 GGEEMN C=CCOc1c(Br)cc(CN2CC[C@H]3COC[C@H]3C2)cc1OC ZINC000668703909 566258844 /nfs/dbraw/zinc/25/88/44/566258844.db2.gz BBGLMFPDNSOTBZ-LSDHHAIUSA-N 0 1 382.298 3.491 10 30 GGEEMN CCN(C[C@H](C)C#N)C(=O)CN[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599625978 566280231 /nfs/dbraw/zinc/28/02/31/566280231.db2.gz BVUYPJUSZDEQLI-CXAGYDPISA-N 0 1 385.339 3.194 10 30 GGEEMN COC(=O)c1c(F)cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1F ZINC000509397453 566300323 /nfs/dbraw/zinc/30/03/23/566300323.db2.gz UNVWVHPTZQBXON-UHFFFAOYSA-N 0 1 386.763 3.077 10 30 GGEEMN C=CC[C@H]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000600212557 566325513 /nfs/dbraw/zinc/32/55/13/566325513.db2.gz GETUVECEWOQJDO-JTQLQIEISA-N 0 1 381.217 3.206 10 30 GGEEMN N#CC1(C[C@@H](O)CNCc2cc(Cl)ccc2I)CC1 ZINC000600749183 566362145 /nfs/dbraw/zinc/36/21/45/566362145.db2.gz PVBACGZVCNNDOF-GFCCVEGCSA-N 0 1 390.652 3.089 10 30 GGEEMN N#CC1(CNC[C@H](O)COc2cc(F)cc(Br)c2)CCCCC1 ZINC000600758055 566363846 /nfs/dbraw/zinc/36/38/46/566363846.db2.gz WLPSVMIVMQXMJS-HNNXBMFYSA-N 0 1 385.277 3.392 10 30 GGEEMN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)c1ccc(Br)cc1)C(C)C ZINC000511048731 566431304 /nfs/dbraw/zinc/43/13/04/566431304.db2.gz RGVGMTJKFDYGEI-KRWDZBQOSA-N 0 1 393.325 3.447 10 30 GGEEMN N#CC1(C[C@H](O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)CCOCC1 ZINC000601955600 566434680 /nfs/dbraw/zinc/43/46/80/566434680.db2.gz ZGCPISFETJNCNX-AWEZNQCLSA-N 0 1 378.885 3.289 10 30 GGEEMN N#Cc1ccc(OCCNCc2cc3c(cc2Br)OCO3)cc1 ZINC000537315591 566436879 /nfs/dbraw/zinc/43/68/79/566436879.db2.gz UTVQERWBZFUSMW-UHFFFAOYSA-N 0 1 375.222 3.218 10 30 GGEEMN C=CC[C@H]1CCN(Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000628406155 566554707 /nfs/dbraw/zinc/55/47/07/566554707.db2.gz CYQKLHPJTHBWNE-KGLIPLIRSA-N 0 1 381.314 3.360 10 30 GGEEMN C=CC[C@@H]1CCN(Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000628406157 566554755 /nfs/dbraw/zinc/55/47/55/566554755.db2.gz CYQKLHPJTHBWNE-ZIAGYGMSSA-N 0 1 381.314 3.360 10 30 GGEEMN Cc1ccc(C[C@@H](CO)CNCc2nc(C#N)cs2)cc1Br ZINC000449600963 566580488 /nfs/dbraw/zinc/58/04/88/566580488.db2.gz PZCZVTHKRRROLU-CYBMUJFWSA-N 0 1 380.311 3.027 10 30 GGEEMN Cc1ccc(C[C@H](CO)CNCc2nc(C#N)cs2)cc1Br ZINC000449600964 566580837 /nfs/dbraw/zinc/58/08/37/566580837.db2.gz PZCZVTHKRRROLU-ZDUSSCGKSA-N 0 1 380.311 3.027 10 30 GGEEMN Cc1c(Br)cccc1C[C@@H](CO)CNCc1nc(C#N)cs1 ZINC000449683390 566590679 /nfs/dbraw/zinc/59/06/79/566590679.db2.gz NKTCPDUBSBNQBU-GFCCVEGCSA-N 0 1 380.311 3.027 10 30 GGEEMN CN1CC[C@@H](NC(=O)c2ccc(Br)cc2C#N)[C@@H]1c1ccccc1 ZINC000450437949 566670222 /nfs/dbraw/zinc/67/02/22/566670222.db2.gz LRBFELQLSINURO-MSOLQXFVSA-N 0 1 384.277 3.496 10 30 GGEEMN COc1cc(Br)ccc1[C@@H](C)N[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469248659 566776143 /nfs/dbraw/zinc/77/61/43/566776143.db2.gz MQNQJLGDPSHBMN-NEPJUHHUSA-N 0 1 380.286 3.059 10 30 GGEEMN C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC)CC1 ZINC000581635496 566795174 /nfs/dbraw/zinc/79/51/74/566795174.db2.gz IJSOXNDHCDHEPO-UHFFFAOYSA-N 0 1 376.302 3.036 10 30 GGEEMN CN(C)CCN(CC1CCCCC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000610151419 566810963 /nfs/dbraw/zinc/81/09/63/566810963.db2.gz XDMIEDOFNUZLIP-UHFFFAOYSA-N 0 1 383.945 3.344 10 30 GGEEMN CSCc1cc(F)ccc1CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000581998433 566821769 /nfs/dbraw/zinc/82/17/69/566821769.db2.gz JRGXMOHAIZALIR-UHFFFAOYSA-N 0 1 378.494 3.124 10 30 GGEEMN Cn1ncc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1C(F)F ZINC000611150144 566893079 /nfs/dbraw/zinc/89/30/79/566893079.db2.gz BFTQENDHWYAKEP-UHFFFAOYSA-N 0 1 380.298 3.049 10 30 GGEEMN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCCc3sc(Cl)cc32)nc1 ZINC000582960578 566908967 /nfs/dbraw/zinc/90/89/67/566908967.db2.gz ZRKCTIXRHFXCHE-ZDUSSCGKSA-N 0 1 381.910 3.109 10 30 GGEEMN C=CCCn1cc(C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H](C)C(=O)[O-])nn1 ZINC000656567621 566916781 /nfs/dbraw/zinc/91/67/81/566916781.db2.gz XEBVKPITLYEETL-MLGOLLRUSA-N 0 1 393.285 3.168 10 30 GGEEMN COc1cc(Br)c(CNCCOc2ccc(C#N)cc2)cc1O ZINC000493605506 566951510 /nfs/dbraw/zinc/95/15/10/566951510.db2.gz ZOSSLTNBJGETOX-UHFFFAOYSA-N 0 1 377.238 3.204 10 30 GGEEMN CN1CCC[C@H](CNS(=O)(=O)CC2(C#N)CCCC2)[C@H]1c1cccs1 ZINC000544714760 566986443 /nfs/dbraw/zinc/98/64/43/566986443.db2.gz RKUZUIWPLAKPDR-WBVHZDCISA-N 0 1 381.567 3.134 10 30 GGEEMN Cc1ccsc1[C@@H](CO)N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000494685323 567017499 /nfs/dbraw/zinc/01/74/99/567017499.db2.gz JDDGQARLPKFSDR-SMDDNHRTSA-N 0 1 375.519 3.129 10 30 GGEEMN CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000545357000 567043501 /nfs/dbraw/zinc/04/35/01/567043501.db2.gz QJQWUQKGQNAQEO-UHFFFAOYSA-N 0 1 383.945 3.117 10 30 GGEEMN N#CCCCCCC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000588341081 567127163 /nfs/dbraw/zinc/12/71/63/567127163.db2.gz VGVSDWZFEKPYQF-UHFFFAOYSA-N 0 1 376.258 3.324 10 30 GGEEMN N#CCCCCCC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000588341081 567127165 /nfs/dbraw/zinc/12/71/65/567127165.db2.gz VGVSDWZFEKPYQF-UHFFFAOYSA-N 0 1 376.258 3.324 10 30 GGEEMN C=CCNC(=O)CN1CCN(CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000474111285 567136115 /nfs/dbraw/zinc/13/61/15/567136115.db2.gz UDSJITBATIKGMR-UHFFFAOYSA-N 0 1 384.351 3.236 10 30 GGEEMN Cc1[nH]nc2cc(NS(=O)(=O)c3ccc(C#N)c(Br)c3)ccc12 ZINC000432766694 567186402 /nfs/dbraw/zinc/18/64/02/567186402.db2.gz DXPVHOOKKJYHFQ-UHFFFAOYSA-N 0 1 391.250 3.306 10 30 GGEEMN C[C@@H](NCc1ccnc(C#N)c1)c1ccc(Br)cc1OCCCO ZINC000589752076 567194331 /nfs/dbraw/zinc/19/43/31/567194331.db2.gz UXNAJIGXCRLUFQ-CYBMUJFWSA-N 0 1 390.281 3.328 10 30 GGEEMN C[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ncc(Br)cn1 ZINC000590068635 567205576 /nfs/dbraw/zinc/20/55/76/567205576.db2.gz JEKPGFCQZQBHTH-CYBMUJFWSA-N 0 1 386.297 3.430 10 30 GGEEMN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCc3c2ccc(Cl)c3Cl)nc1 ZINC000567692609 567268909 /nfs/dbraw/zinc/26/89/09/567268909.db2.gz YIEPZNFYKDIWPU-OAHLLOKOSA-N 0 1 396.299 3.311 10 30 GGEEMN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CCSc3ccc(F)cc32)c1 ZINC000549111163 567375784 /nfs/dbraw/zinc/37/57/84/567375784.db2.gz QMSZZBVNXGRSRQ-KRWDZBQOSA-N 0 1 376.478 3.298 10 30 GGEEMN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CCSc3ccc(F)cc32)c1 ZINC000549111164 567375893 /nfs/dbraw/zinc/37/58/93/567375893.db2.gz QMSZZBVNXGRSRQ-QGZVFWFLSA-N 0 1 376.478 3.298 10 30 GGEEMN N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)c1 ZINC000549912408 567418418 /nfs/dbraw/zinc/41/84/18/567418418.db2.gz OWQVEIVSXPJENH-JTQLQIEISA-N 0 1 381.788 3.250 10 30 GGEEMN C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528388700 567418650 /nfs/dbraw/zinc/41/86/50/567418650.db2.gz IHGKNZDNBDQANC-MAUKXSAKSA-N 0 1 392.341 3.182 10 30 GGEEMN C[N@H+]1CC[C@H](NC(=O)Cc2ccc(Br)cc2C#N)[C@H]1c1ccccc1 ZINC000593560216 567423453 /nfs/dbraw/zinc/42/34/53/567423453.db2.gz QTXYVUPTBMUYBA-AZUAARDMSA-N 0 1 398.304 3.425 10 30 GGEEMN C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)[C@H]1c1ccccc1 ZINC000593560223 567424118 /nfs/dbraw/zinc/42/41/18/567424118.db2.gz QTXYVUPTBMUYBA-UYAOXDASSA-N 0 1 398.304 3.425 10 30 GGEEMN C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)[C@@H]1c1ccccc1 ZINC000593560222 567424155 /nfs/dbraw/zinc/42/41/55/567424155.db2.gz QTXYVUPTBMUYBA-QUCCMNQESA-N 0 1 398.304 3.425 10 30 GGEEMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Cc2ccc(Br)cc2C#N)n[nH]1 ZINC000593651008 567431311 /nfs/dbraw/zinc/43/13/11/567431311.db2.gz OTMQECFJIRZONY-GHMZBOCLSA-N 0 1 390.285 3.372 10 30 GGEEMN CC[C@H](C)c1nc([C@H](C)NC(=O)Cc2ccc(Br)cc2C#N)n[nH]1 ZINC000593651010 567431581 /nfs/dbraw/zinc/43/15/81/567431581.db2.gz OTMQECFJIRZONY-QWRGUYRKSA-N 0 1 390.285 3.372 10 30 GGEEMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Cc2ccc(Br)cc2C#N)n[nH]1 ZINC000593651011 567431869 /nfs/dbraw/zinc/43/18/69/567431869.db2.gz OTMQECFJIRZONY-WDEREUQCSA-N 0 1 390.285 3.372 10 30 GGEEMN Cc1cc(Br)c(CNC[C@@H](O)COc2ccc(CC#N)cc2)s1 ZINC000594732801 567504543 /nfs/dbraw/zinc/50/45/43/567504543.db2.gz NUFSYNPONWWDTH-CQSZACIVSA-N 0 1 395.322 3.415 10 30 GGEEMN Cc1nnc(NC(=O)C(C#N)c2nc(-c3c(F)cccc3F)cs2)s1 ZINC000505426220 567575442 /nfs/dbraw/zinc/57/54/42/567575442.db2.gz GKVWLPHMHLANCO-QMMMGPOBSA-N 0 1 377.401 3.494 10 30 GGEEMN CNc1ccc(C#N)cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000439245977 567575773 /nfs/dbraw/zinc/57/57/73/567575773.db2.gz LOTFRDBZBZLRDZ-UHFFFAOYSA-N 0 1 380.813 3.271 10 30 GGEEMN N#Cc1cnc2c(Br)cccc2c1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000572107894 567614856 /nfs/dbraw/zinc/61/48/56/567614856.db2.gz LTDAKIQTZJMJNE-OKILXGFUSA-N 0 1 387.281 3.144 10 30 GGEEMN COCc1nc(CNc2c(C#N)cnc3c(Br)c(C)ccc32)n[nH]1 ZINC000596436218 567633223 /nfs/dbraw/zinc/63/32/23/567633223.db2.gz NMWFHXQIVYUSLW-UHFFFAOYSA-N 0 1 387.241 3.054 10 30 GGEEMN COCc1nnc(CNc2c(C#N)cnc3c(Br)c(C)ccc32)[nH]1 ZINC000596436218 567633229 /nfs/dbraw/zinc/63/32/29/567633229.db2.gz NMWFHXQIVYUSLW-UHFFFAOYSA-N 0 1 387.241 3.054 10 30 GGEEMN C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000459662685 567648690 /nfs/dbraw/zinc/64/86/90/567648690.db2.gz UYOIOAWUIRRKDL-LBPRGKRZSA-N 0 1 391.269 3.416 10 30 GGEEMN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCCN(C)C1 ZINC000623650057 567727717 /nfs/dbraw/zinc/72/77/17/567727717.db2.gz GNVMZIAGYZONOD-OAHLLOKOSA-N 0 1 384.293 3.380 10 30 GGEEMN C=CCn1c(-c2ccc(Br)s2)nnc1N1CCN(C2CC2)CC1 ZINC000508499455 567750754 /nfs/dbraw/zinc/75/07/54/567750754.db2.gz ZLYYTGRHVATLQZ-UHFFFAOYSA-N 0 1 394.342 3.240 10 30 GGEEMN C=CCOCCCC(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC000598424247 567764700 /nfs/dbraw/zinc/76/47/00/567764700.db2.gz PDIIFABJFHQFJS-UHFFFAOYSA-N 0 1 385.205 3.089 10 30 GGEEMN N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000598512777 567772482 /nfs/dbraw/zinc/77/24/82/567772482.db2.gz VEPPWFJCJZXIFX-IBGZPJMESA-N 0 1 398.304 3.254 10 30 GGEEMN C=CCOC[C@@H](O)CN(Cc1ccc(C)s1)Cc1ccc2c(c1)OCO2 ZINC000036101381 570538464 /nfs/dbraw/zinc/53/84/64/570538464.db2.gz WXRYDFRJDKKBRF-KRWDZBQOSA-N 0 1 375.490 3.351 10 30 GGEEMN C=CCN(C[C@@H](O)COC(C)(C)C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146292 570549151 /nfs/dbraw/zinc/54/91/51/570549151.db2.gz QOTMKMPMMABWMU-MSOLQXFVSA-N 0 1 380.916 3.497 10 30 GGEEMN C=CCOC[C@@H](O)CN(Cc1ccccc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036146905 570549405 /nfs/dbraw/zinc/54/94/05/570549405.db2.gz FICGXYGHXFNTIH-VXKWHMMOSA-N 0 1 380.488 3.245 10 30 GGEEMN N#Cc1ccccc1OCCN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000059931812 570817865 /nfs/dbraw/zinc/81/78/65/570817865.db2.gz RSFPJDAEMUGJQL-UHFFFAOYSA-N 0 1 392.455 3.303 10 30 GGEEMN N#CC(CCN1CCN(c2cccnn2)CC1)(c1ccccc1)c1ccccc1 ZINC000170607406 570864357 /nfs/dbraw/zinc/86/43/57/570864357.db2.gz GRIYOELPIQJHCB-UHFFFAOYSA-N 0 1 383.499 3.499 10 30 GGEEMN N#Cc1ccc(CN2CCCN(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000063352629 1408342442 /nfs/dbraw/zinc/34/24/42/1408342442.db2.gz ATPPWNJKVIGEFS-FGZHOGPDSA-N 0 1 392.478 3.471 10 30 GGEEMN Cc1ccc2oc(N3CCN(CCC(=O)Nc4cccc(C#N)c4)CC3)nc2c1 ZINC000106095749 1411166965 /nfs/dbraw/zinc/16/69/65/1411166965.db2.gz UNYDDLZCNCFJES-UHFFFAOYSA-N 0 1 389.459 3.159 10 30 GGEEMN O=C(NCCNCc1ccc(-c2nc3ccccc3s2)o1)C1N=CC=CC1=O ZINC000113360820 1412297925 /nfs/dbraw/zinc/29/79/25/1412297925.db2.gz ADRMTNSXSABGFV-HNENSFHCSA-N 0 1 394.456 3.172 10 30 GGEEMN CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000129540497 1416225027 /nfs/dbraw/zinc/22/50/27/1416225027.db2.gz GDKLPXCPOVSPAJ-GHTZIAJQSA-N 0 1 395.507 3.112 10 30 GGEEMN CN(CCC#N)c1ccc(CN2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000179502027 1429399267 /nfs/dbraw/zinc/39/92/67/1429399267.db2.gz VRAAMMLMIRHUPX-UHFFFAOYSA-N 0 1 375.476 3.500 10 30 GGEEMN C[C@H](Sc1nc(-c2cccnc2)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000171289779 1425595965 /nfs/dbraw/zinc/59/59/65/1425595965.db2.gz DZXSMTFYKPXTOB-JTQLQIEISA-N 0 1 396.501 3.408 10 30 GGEEMN C[C@@H](Sc1nc(-c2cccnc2)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000171289783 1425596036 /nfs/dbraw/zinc/59/60/36/1425596036.db2.gz DZXSMTFYKPXTOB-SNVBAGLBSA-N 0 1 396.501 3.408 10 30 GGEEMN C[C@@H](c1ccccc1)N(C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182622990 1430504125 /nfs/dbraw/zinc/50/41/25/1430504125.db2.gz BMIFLODLAAECGY-HKUYNNGSSA-N 0 1 382.533 3.150 10 30 GGEEMN C=CCOC[C@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000225099144 1433366981 /nfs/dbraw/zinc/36/69/81/1433366981.db2.gz LEKWEXHKYFYHGV-FGZHOGPDSA-N 0 1 398.478 3.384 10 30 GGEEMN COc1ccc([N+](=O)[O-])cc1C=NNc1nnc2c3cccc(C)c3[nH]c2n1 ZINC000252632387 1433863690 /nfs/dbraw/zinc/86/36/90/1433863690.db2.gz VSLOONXXECZZBX-UHFFFAOYSA-N 0 1 377.364 3.177 10 30 GGEEMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)n1 ZINC000001048562 212209882 /nfs/dbraw/zinc/20/98/82/212209882.db2.gz ITDUYWAXGRRWSH-UDWIEESQSA-N 0 1 382.445 3.350 10 30 GGEEMN COc1ccc(CN(C)CCC(=O)Nc2sccc2C#N)c(OC)c1OC ZINC000008943067 221065122 /nfs/dbraw/zinc/06/51/22/221065122.db2.gz LQZWAZRVOLMJOC-UHFFFAOYSA-N 0 1 389.477 3.106 10 30 GGEEMN Cc1ccc2c(CN3CCCN(c4ncccc4C#N)CC3)cc(=O)oc2c1C ZINC000064634278 222076806 /nfs/dbraw/zinc/07/68/06/222076806.db2.gz FTXITXRCUVMDIJ-UHFFFAOYSA-N 0 1 388.471 3.389 10 30 GGEEMN C#CCN(Cc1ccco1)C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000068883543 518262062 /nfs/dbraw/zinc/26/20/62/518262062.db2.gz WZDITAMSPWKTES-HXUWFJFHSA-N 0 1 381.476 3.270 10 30 GGEEMN C=CCC[C@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2ccccc2)CC1 ZINC000036340427 518728346 /nfs/dbraw/zinc/72/83/46/518728346.db2.gz KSQPJBJZCKKUBM-NRFANRHFSA-N 0 1 380.536 3.133 10 30 GGEEMN CCOc1cc(/C=N\n2cnnc2SCc2ccccc2)cc([N+](=O)[O-])c1O ZINC000035441588 520646130 /nfs/dbraw/zinc/64/61/30/520646130.db2.gz CKNUFLHRUSFLMV-JMIUGGIZSA-N 0 1 399.432 3.465 10 30 GGEEMN CCOc1cc(CNC(=O)C(C#N)c2nc(C)cs2)ccc1OC(F)F ZINC000095453889 520704324 /nfs/dbraw/zinc/70/43/24/520704324.db2.gz DFSKAYMNUVJXHA-GFCCVEGCSA-N 0 1 381.404 3.375 10 30 GGEEMN CCOC(=O)[C@@H]1[C@@H](N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCC)cc1 ZINC000100404866 521141738 /nfs/dbraw/zinc/14/17/38/521141738.db2.gz YDVAPVJMGUYREJ-IHPCNDPISA-N 0 1 387.476 3.306 10 30 GGEEMN COc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc([N+](=O)[O-])c1O ZINC000036477413 521940154 /nfs/dbraw/zinc/94/01/54/521940154.db2.gz LYSCAWOJEBMNQM-BQYQJAHWSA-N 0 1 382.372 3.332 10 30 GGEEMN COCCNC1=Nc2ncccc2NC12CCN(C(=O)c1ccc(C)s1)CC2 ZINC000096309687 522828263 /nfs/dbraw/zinc/82/82/63/522828263.db2.gz PCNDLBJJTQLMOS-UHFFFAOYSA-N 0 1 399.520 3.009 10 30 biogenic GGEEMN COc1ccc(CN2C[C@@H]3C[C@@H](C#Cc4ccccc4)N4CCC[C@@]34C2=O)cc1 ZINC000014980093 524041613 /nfs/dbraw/zinc/04/16/13/524041613.db2.gz FQVRPUNUFJRIIB-FBLLAGFSSA-N 0 1 386.495 3.312 10 30 GGEEMN COc1ccc(OC)c(C(=O)C=C(O)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000101355578 524802900 /nfs/dbraw/zinc/80/29/00/524802900.db2.gz YYKGPXDVJRVKLR-YVLHZVERSA-N 0 1 386.360 3.184 10 30 GGEEMN O=C(c1ccco1)N1CC[C@@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000096309962 526832668 /nfs/dbraw/zinc/83/26/68/526832668.db2.gz HRNYGHYCUGTFJY-QFIPXVFZSA-N 0 1 387.443 3.396 10 30 biogenic GGEEMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccn1 ZINC000103125262 526955456 /nfs/dbraw/zinc/95/54/56/526955456.db2.gz UFCWSYFXRZXPEL-LAFOYAEKSA-N 0 1 389.386 3.238 10 30 GGEEMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1Cl ZINC000118301877 564238700 /nfs/dbraw/zinc/23/87/00/564238700.db2.gz LYLLQHKZKHELFX-UHFFFAOYSA-N 0 1 385.228 3.452 10 30 GGEEMN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1Br ZINC000023410537 564324473 /nfs/dbraw/zinc/32/44/73/564324473.db2.gz ZJQXYZHDNYCGKV-DZGCQCFKSA-N 0 1 375.266 3.411 10 30 GGEEMN C[C@H](C#N)NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000125772315 564525794 /nfs/dbraw/zinc/52/57/94/564525794.db2.gz FNJNGTGLSVHQJO-SNVBAGLBSA-N 0 1 398.271 3.436 10 30 GGEEMN C=CCOc1c(Br)cc(CN2CCN(C3CC3)CC2)cc1OC ZINC000127920492 564600396 /nfs/dbraw/zinc/60/03/96/564600396.db2.gz MDZFRSACSVDKPS-UHFFFAOYSA-N 0 1 381.314 3.303 10 30 GGEEMN CC(C)n1ncc2cc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cnc21 ZINC000055586317 564625721 /nfs/dbraw/zinc/62/57/21/564625721.db2.gz WBCXGTVAXZWZPC-UHFFFAOYSA-N 0 1 375.841 3.338 10 30 GGEEMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)cc1Cl ZINC000137221303 564860378 /nfs/dbraw/zinc/86/03/78/564860378.db2.gz PMARLNCZQXSJGQ-UHFFFAOYSA-N 0 1 385.228 3.452 10 30 GGEEMN N#Cc1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)o1 ZINC000091841806 564873096 /nfs/dbraw/zinc/87/30/96/564873096.db2.gz QRVDJURBLRMZEZ-GFCCVEGCSA-N 0 1 389.253 3.159 10 30 GGEEMN C=CCOc1c(Br)cc(CN2CCCC[C@@H]2CC(N)=O)cc1OC ZINC000092588722 564878247 /nfs/dbraw/zinc/87/82/47/564878247.db2.gz QPVSBCIPEDAUEV-CQSZACIVSA-N 0 1 397.313 3.252 10 30 GGEEMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000093930937 564894747 /nfs/dbraw/zinc/89/47/47/564894747.db2.gz QSLLJRSUUJKCNG-UHFFFAOYSA-N 0 1 381.797 3.067 10 30 GGEEMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C#N)c(Cl)c2)cc1Cl ZINC000152768903 564971476 /nfs/dbraw/zinc/97/14/76/564971476.db2.gz JAUCWNZGPUNGMM-UHFFFAOYSA-N 0 1 385.228 3.452 10 30 GGEEMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)c(C#N)c1 ZINC000155914343 565072848 /nfs/dbraw/zinc/07/28/48/565072848.db2.gz ULFGFCGOPPEJHN-UHFFFAOYSA-N 0 1 385.214 3.269 10 30 GGEEMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)c(Cl)c1 ZINC000158573769 565173978 /nfs/dbraw/zinc/17/39/78/565173978.db2.gz CYHUOMKONVDKKH-UHFFFAOYSA-N 0 1 385.228 3.452 10 30 GGEEMN N#Cc1cc(S(=O)(=O)Nc2ccccc2O[C@@H]2CCOC2)ccc1Cl ZINC000161041625 565270432 /nfs/dbraw/zinc/27/04/32/565270432.db2.gz YEAKEUJWZRKRAO-CYBMUJFWSA-N 0 1 378.837 3.180 10 30 GGEEMN N#CC[C@@H]1CC[C@H](NS(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000295688706 565281676 /nfs/dbraw/zinc/28/16/76/565281676.db2.gz IUPRUWOAZHLOTC-IUCAKERBSA-N 0 1 379.226 3.088 10 30 GGEEMN CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)s2)[C@H]1c1cccs1 ZINC000373735621 565299813 /nfs/dbraw/zinc/29/98/13/565299813.db2.gz ILTZJNKRAUBILN-LRDDRELGSA-N 0 1 381.548 3.043 10 30 GGEEMN N#CC1(NC(=O)c2ccncc2Br)CCN(Cc2ccccc2)CC1 ZINC000374861846 565357665 /nfs/dbraw/zinc/35/76/65/565357665.db2.gz CLRNLICLHPLARY-UHFFFAOYSA-N 0 1 399.292 3.132 10 30 GGEEMN Cc1nsc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1C#N ZINC000297501439 565374757 /nfs/dbraw/zinc/37/47/57/565374757.db2.gz VBZBDXIAKTXXMM-ZDUSSCGKSA-N 0 1 375.523 3.418 10 30 GGEEMN C#CCN1CCC(C(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000375344586 565381949 /nfs/dbraw/zinc/38/19/49/565381949.db2.gz GRCMJBOKQWSTBL-KRWDZBQOSA-N 0 1 391.309 3.076 10 30 GGEEMN N#CC1(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CCCCC1 ZINC000171222189 565419448 /nfs/dbraw/zinc/41/94/48/565419448.db2.gz MNRYGKFQBTZBBL-UHFFFAOYSA-N 0 1 388.269 3.324 10 30 GGEEMN N#CC1(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CCCCC1 ZINC000171222189 565419453 /nfs/dbraw/zinc/41/94/53/565419453.db2.gz MNRYGKFQBTZBBL-UHFFFAOYSA-N 0 1 388.269 3.324 10 30 GGEEMN Cc1nnc(NCc2n[nH]c(-c3ccc(Br)cc3)n2)c(C#N)c1C ZINC000171233251 565420652 /nfs/dbraw/zinc/42/06/52/565420652.db2.gz YLCBBJLYVFNDJM-UHFFFAOYSA-N 0 1 384.241 3.125 10 30 GGEEMN Cc1nnc(NCc2nc(-c3ccc(Br)cc3)n[nH]2)c(C#N)c1C ZINC000171233251 565420658 /nfs/dbraw/zinc/42/06/58/565420658.db2.gz YLCBBJLYVFNDJM-UHFFFAOYSA-N 0 1 384.241 3.125 10 30 GGEEMN N#Cc1ccc(NC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)cc1 ZINC000171247373 565421622 /nfs/dbraw/zinc/42/16/22/565421622.db2.gz KAWULNUNONRFMB-UHFFFAOYSA-N 0 1 397.236 3.428 10 30 GGEEMN N#Cc1ccc(NC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000171247373 565421627 /nfs/dbraw/zinc/42/16/27/565421627.db2.gz KAWULNUNONRFMB-UHFFFAOYSA-N 0 1 397.236 3.428 10 30 GGEEMN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(Br)cc1OC ZINC000190458702 565533323 /nfs/dbraw/zinc/53/33/23/565533323.db2.gz GGIDHMJYKPIGKZ-OLZOCXBDSA-N 0 1 382.302 3.116 10 30 GGEEMN Cc1cc(Br)c(F)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000320331592 565602058 /nfs/dbraw/zinc/60/20/58/565602058.db2.gz IJDNNEVXWYOAAW-UHFFFAOYSA-N 0 1 384.230 3.273 10 30 GGEEMN C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1CCOc2c(Br)cccc21 ZINC000409848923 565643531 /nfs/dbraw/zinc/64/35/31/565643531.db2.gz FYYZWCUMRLJFGT-BBRMVZONSA-N 0 1 379.298 3.451 10 30 GGEEMN CCN(CC(=O)OC(C)(C)C)C1CCN(c2snc(Cl)c2C#N)CC1 ZINC000192241148 565673228 /nfs/dbraw/zinc/67/32/28/565673228.db2.gz KMNMVPPVCAFZAA-UHFFFAOYSA-N 0 1 384.933 3.301 10 30 GGEEMN C=CCOc1c(Br)cc(CNCC2(C)OCCCO2)cc1OC ZINC000192250457 565674295 /nfs/dbraw/zinc/67/42/95/565674295.db2.gz ALQCDKLCNFDYFZ-UHFFFAOYSA-N 0 1 386.286 3.265 10 30 GGEEMN O=C(NC[C@H]1CCCCN1CCO)c1cc(Br)ccc1Cl ZINC000331322124 565754499 /nfs/dbraw/zinc/75/44/99/565754499.db2.gz LERYVIVPHNIMKO-GFCCVEGCSA-N 0 1 375.694 3.254 10 30 GGEEMN O=C(NC[C@H]1CCCCN1CCO)c1cccc(Br)c1Cl ZINC000331331935 565755242 /nfs/dbraw/zinc/75/52/42/565755242.db2.gz OVSRWLDJVVBQDC-LLVKDONJSA-N 0 1 375.694 3.254 10 30 GGEEMN C#CCOc1ccc(Br)cc1CNCc1ccnc(-n2ccnc2)c1 ZINC000236727075 565943617 /nfs/dbraw/zinc/94/36/17/565943617.db2.gz BZSVRICJEALTPX-UHFFFAOYSA-N 0 1 397.276 3.332 10 30 GGEEMN COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C#N)c1C ZINC000179029205 565952963 /nfs/dbraw/zinc/95/29/63/565952963.db2.gz JHXYMZZYIVNYSV-UHFFFAOYSA-N 0 1 381.251 3.439 10 30 GGEEMN C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000179115372 565958558 /nfs/dbraw/zinc/95/85/58/565958558.db2.gz NSVOEQAMRRIOKA-CYBMUJFWSA-N 0 1 393.306 3.445 10 30 GGEEMN C[C@](CO)(NCc1ccc(OCC#N)cc1)c1ccc(Br)cc1 ZINC000286603676 565969251 /nfs/dbraw/zinc/96/92/51/565969251.db2.gz RFTHBLWITOGYLC-GOSISDBHSA-N 0 1 375.266 3.349 10 30 GGEEMN C=CCCCN(C)C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000179951385 566020797 /nfs/dbraw/zinc/02/07/97/566020797.db2.gz COZKXQUNHMXKBP-UHFFFAOYSA-N 0 1 396.228 3.171 10 30 GGEEMN CN(C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000416551599 566085946 /nfs/dbraw/zinc/08/59/46/566085946.db2.gz AKMLKCPSVDHMNL-UHFFFAOYSA-N 0 1 383.926 3.026 10 30 GGEEMN Cc1nc(C)n(C[C@H]2CCCN(Cc3ccc(C#N)cc3Br)C2)n1 ZINC000181100204 566114976 /nfs/dbraw/zinc/11/49/76/566114976.db2.gz DYJNHIZLSXYGIY-INIZCTEOSA-N 0 1 388.313 3.441 10 30 GGEEMN N#Cc1ccc(CN2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c(Br)c1 ZINC000181186755 566122701 /nfs/dbraw/zinc/12/27/01/566122701.db2.gz OBTGCXIKWQCLOZ-CRAIPNDOSA-N 0 1 388.309 3.296 10 30 GGEEMN C[C@@H](C(=O)[O-])[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Br)cc1 ZINC000417639343 566170050 /nfs/dbraw/zinc/17/00/50/566170050.db2.gz LXOPYJKFJIPYSA-YMTOWFKASA-N 0 1 380.267 3.329 10 30 GGEEMN N#Cc1ccc(NC(=O)N[C@H](c2nnc[nH]2)c2ccccc2)cc1Br ZINC000367581562 566208291 /nfs/dbraw/zinc/20/82/91/566208291.db2.gz WAGJEKDRTOHBJY-HNNXBMFYSA-N 0 1 397.236 3.350 10 30 GGEEMN CC[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000599358263 566256483 /nfs/dbraw/zinc/25/64/83/566256483.db2.gz CBPMDZZLFGZJIH-VXGBXAGGSA-N 0 1 377.432 3.274 10 30 GGEEMN CC[C@@H](C)N[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccco1 ZINC000510382468 566380178 /nfs/dbraw/zinc/38/01/78/566380178.db2.gz UFDXTSATLFJWMB-WBMJQRKESA-N 0 1 381.885 3.212 10 30 GGEEMN N#CC1(C[C@H](O)CSc2nc(-c3ccccc3Br)n[nH]2)CC1 ZINC000601953723 566433097 /nfs/dbraw/zinc/43/30/97/566433097.db2.gz OAXRMFZLCRWNFU-JTQLQIEISA-N 0 1 379.283 3.381 10 30 GGEEMN O=C([O-])C[N@@H+](CCOCC(F)(F)C(F)(F)F)Cc1ccc(F)c(F)c1 ZINC000577856798 566471251 /nfs/dbraw/zinc/47/12/51/566471251.db2.gz HUAZFHFTRHBDES-UHFFFAOYSA-N 0 1 377.256 3.066 10 30 GGEEMN Cc1c(NS(=O)(=O)c2ccc(C#N)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000485396036 566493905 /nfs/dbraw/zinc/49/39/05/566493905.db2.gz IVBAZKCLOLKNNU-UHFFFAOYSA-N 0 1 396.222 3.338 10 30 GGEEMN C[C@H](NCC#Cc1ccccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000539278563 566572226 /nfs/dbraw/zinc/57/22/26/566572226.db2.gz CEPZABGQTRWZPN-HNNXBMFYSA-N 0 1 376.909 3.293 10 30 GGEEMN C[C@@H](NCC#Cc1ccccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000539278564 566572700 /nfs/dbraw/zinc/57/27/00/566572700.db2.gz CEPZABGQTRWZPN-OAHLLOKOSA-N 0 1 376.909 3.293 10 30 GGEEMN Cc1c(Br)cccc1C[C@H](CO)CNCc1nc(C#N)cs1 ZINC000449683391 566590441 /nfs/dbraw/zinc/59/04/41/566590441.db2.gz NKTCPDUBSBNQBU-LBPRGKRZSA-N 0 1 380.311 3.027 10 30 GGEEMN CO[C@@H](CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)C1CC1 ZINC000425413092 566639314 /nfs/dbraw/zinc/63/93/14/566639314.db2.gz AWQKZYLVBKOKAD-ROUUACIJSA-N 0 1 378.314 3.056 10 30 GGEEMN CO[C@H](CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)C1CC1 ZINC000425413090 566639572 /nfs/dbraw/zinc/63/95/72/566639572.db2.gz AWQKZYLVBKOKAD-QZTJIDSGSA-N 0 1 378.314 3.056 10 30 GGEEMN CO[C@@H](CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)C1CC1 ZINC000425413088 566640051 /nfs/dbraw/zinc/64/00/51/566640051.db2.gz AWQKZYLVBKOKAD-MSOLQXFVSA-N 0 1 378.314 3.056 10 30 GGEEMN N#Cc1ccc(-c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)o1 ZINC000426605551 566720715 /nfs/dbraw/zinc/72/07/15/566720715.db2.gz OPJUSKUNXXEATP-UHFFFAOYSA-N 0 1 383.165 3.416 10 30 GGEEMN N#Cc1csc(CNC[C@H]2CCN(c3ccc(Br)cc3)C2)n1 ZINC000581041211 566746465 /nfs/dbraw/zinc/74/64/65/566746465.db2.gz HTHYLPSGYKUNBX-GFCCVEGCSA-N 0 1 377.311 3.393 10 30 GGEEMN Cc1ncc(S(=O)(=O)Nc2ccc(Sc3nncs3)cc2)cc1C#N ZINC000427140129 566750149 /nfs/dbraw/zinc/75/01/49/566750149.db2.gz NUQSQXGGRUMOIE-UHFFFAOYSA-N 0 1 389.487 3.065 10 30 GGEEMN COc1cc(Br)ccc1[C@H](C)N[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469248784 566776380 /nfs/dbraw/zinc/77/63/80/566776380.db2.gz MQNQJLGDPSHBMN-RYUDHWBXSA-N 0 1 380.286 3.059 10 30 GGEEMN Cc1cc(Br)ccc1NC(=O)CNCc1cnc2ccc(C#N)cn12 ZINC000609918373 566796078 /nfs/dbraw/zinc/79/60/78/566796078.db2.gz NXWXOEHWBILKKR-UHFFFAOYSA-N 0 1 398.264 3.005 10 30 GGEEMN Cc1nccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)c1Br ZINC000517211223 566812867 /nfs/dbraw/zinc/81/28/67/566812867.db2.gz WXFFHQXQUBDBAS-UHFFFAOYSA-N 0 1 382.265 3.459 10 30 GGEEMN O=S(=O)(c1cc(O)cc(F)c1)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000631786351 566825232 /nfs/dbraw/zinc/82/52/32/566825232.db2.gz XZUUISQHSTVODK-OCAPTIKFSA-N 0 1 395.296 3.283 10 30 GGEEMN N#CC[C@@H]1CC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000451731251 566870936 /nfs/dbraw/zinc/87/09/36/566870936.db2.gz DFVHWGGEGYGHDJ-WPRPVWTQSA-N 0 1 378.237 3.262 10 30 GGEEMN CCN1CCN([C@@H](C)CNc2c(Br)cc(Cl)cc2C#N)CC1 ZINC000429219459 566915130 /nfs/dbraw/zinc/91/51/30/566915130.db2.gz XZKHQWNJCLSYFO-LBPRGKRZSA-N 0 1 385.737 3.412 10 30 GGEEMN N#Cc1ccc(OCCN(CCO)Cc2cc(Br)cs2)cc1 ZINC000494286061 566983557 /nfs/dbraw/zinc/98/35/57/566983557.db2.gz WCTOMBZYZCWSIC-UHFFFAOYSA-N 0 1 381.295 3.256 10 30 GGEEMN N#Cc1cc(Cl)ccc1-n1ccc(NS(=O)(=O)CCc2cccs2)n1 ZINC000564550521 566985915 /nfs/dbraw/zinc/98/59/15/566985915.db2.gz UUHLCPSNDSARAD-UHFFFAOYSA-N 0 1 392.893 3.443 10 30 GGEEMN CN1CCC[C@H](CNS(=O)(=O)CC2(C#N)CCCC2)[C@@H]1c1cccs1 ZINC000544714758 566987256 /nfs/dbraw/zinc/98/72/56/566987256.db2.gz RKUZUIWPLAKPDR-NVXWUHKLSA-N 0 1 381.567 3.134 10 30 GGEEMN COc1ccc(CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)c(Cl)c1 ZINC000472331446 567020188 /nfs/dbraw/zinc/02/01/88/567020188.db2.gz XXMSAXFYGIVIJH-UHFFFAOYSA-N 0 1 386.807 3.019 10 30 GGEEMN C=C[C@@H]1CCCCN1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000495217700 567053341 /nfs/dbraw/zinc/05/33/41/567053341.db2.gz CMFNFJFXXOUVSM-CQSZACIVSA-N 0 1 390.285 3.484 10 30 GGEEMN C=C[C@@H]1CCCCN1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000495217700 567053346 /nfs/dbraw/zinc/05/33/46/567053346.db2.gz CMFNFJFXXOUVSM-CQSZACIVSA-N 0 1 390.285 3.484 10 30 GGEEMN C=C[C@H]1CCCCN1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000495217600 567053413 /nfs/dbraw/zinc/05/34/13/567053413.db2.gz CMFNFJFXXOUVSM-AWEZNQCLSA-N 0 1 390.285 3.484 10 30 GGEEMN C=C[C@H]1CCCCN1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000495217600 567053419 /nfs/dbraw/zinc/05/34/19/567053419.db2.gz CMFNFJFXXOUVSM-AWEZNQCLSA-N 0 1 390.285 3.484 10 30 GGEEMN COC(=O)C[C@@](C)(NCc1ccnc(C#N)c1)c1ccc(Br)cc1 ZINC000586782354 567095933 /nfs/dbraw/zinc/09/59/33/567095933.db2.gz JAFFVGHMVLOCDE-GOSISDBHSA-N 0 1 388.265 3.284 10 30 GGEEMN N#C[C@@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccc(Br)cc1 ZINC000473675834 567097159 /nfs/dbraw/zinc/09/71/59/567097159.db2.gz NKKBOZKXMMHBSU-OAHLLOKOSA-N 0 1 382.221 3.229 10 30 GGEEMN C=CCOc1cccc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000588629477 567130366 /nfs/dbraw/zinc/13/03/66/567130366.db2.gz ZSXWBBOQPFVDGX-UHFFFAOYSA-N 0 1 381.837 3.477 10 30 GGEEMN Cc1cc(NC(=O)CNCc2cnc3ccc(C#N)cn23)ccc1Br ZINC000567962284 567292981 /nfs/dbraw/zinc/29/29/81/567292981.db2.gz BGRFYMNBLHIGEV-UHFFFAOYSA-N 0 1 398.264 3.005 10 30 GGEEMN N#Cc1ccc(OC[C@H](O)CN[C@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000591744844 567293716 /nfs/dbraw/zinc/29/37/16/567293716.db2.gz RHOYMQNWJADUSE-WBMJQRKESA-N 0 1 379.243 3.328 10 30 GGEEMN N#C[C@@H](c1ccc(Br)cc1)N1CCN(CCC[C@H]2CCOC2)CC1 ZINC000592088780 567313028 /nfs/dbraw/zinc/31/30/28/567313028.db2.gz CUTWPXGVTREBOX-LPHOPBHVSA-N 0 1 392.341 3.448 10 30 GGEEMN N#Cc1cc(Br)ccc1CC(=O)NCCN1CCc2ccccc2C1 ZINC000593022109 567379633 /nfs/dbraw/zinc/37/96/33/567379633.db2.gz UYDVEFZNLQXHLS-UHFFFAOYSA-N 0 1 398.304 3.038 10 30 GGEEMN N#Cc1ccc(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)c(Cl)c1 ZINC000549524728 567396263 /nfs/dbraw/zinc/39/62/63/567396263.db2.gz OVDXZGXCTQZESF-JTQLQIEISA-N 0 1 381.788 3.250 10 30 GGEEMN COC1(CS(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)CCOCC1 ZINC000593204791 567396595 /nfs/dbraw/zinc/39/65/95/567396595.db2.gz QWDJGEVQXWGMLF-CQSZACIVSA-N 0 1 384.523 3.018 10 30 GGEEMN CCC(C#N)(CC)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000528368730 567416985 /nfs/dbraw/zinc/41/69/85/567416985.db2.gz ZRSLNLCXKNQVAU-UHFFFAOYSA-N 0 1 376.258 3.180 10 30 GGEEMN CCC(C#N)(CC)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000528368730 567416993 /nfs/dbraw/zinc/41/69/93/567416993.db2.gz ZRSLNLCXKNQVAU-UHFFFAOYSA-N 0 1 376.258 3.180 10 30 GGEEMN C[N@H+]1CC[C@H](NC(=O)Cc2ccc(Br)cc2C#N)[C@@H]1c1ccccc1 ZINC000593560220 567423605 /nfs/dbraw/zinc/42/36/05/567423605.db2.gz QTXYVUPTBMUYBA-ICSRJNTNSA-N 0 1 398.304 3.425 10 30 GGEEMN N#CC1(CNS(=O)(=O)c2cc(F)c(Br)cc2F)CCCC1 ZINC000593621472 567428606 /nfs/dbraw/zinc/42/86/06/567428606.db2.gz YDQIZTCOVTTWNS-UHFFFAOYSA-N 0 1 379.226 3.090 10 30 GGEEMN COC(=O)c1c(C)c(NS(=O)(=O)c2cc(C#N)ccc2Cl)ccc1F ZINC000569934076 567444784 /nfs/dbraw/zinc/44/47/84/567444784.db2.gz VPWWMAUOTONMMI-UHFFFAOYSA-N 0 1 382.800 3.247 10 30 GGEEMN N#Cc1ccc(Br)c(CN2CC3(CCOCC3)CC[C@H]2CO)c1 ZINC000528646377 567445334 /nfs/dbraw/zinc/44/53/34/567445334.db2.gz UGEVCHNUPUTWMU-INIZCTEOSA-N 0 1 379.298 3.074 10 30 GGEEMN N#Cc1ccc(O[C@H]2CCN(Cc3nc4ccc(Br)cc4[nH]3)C2)nc1 ZINC000570264203 567471282 /nfs/dbraw/zinc/47/12/82/567471282.db2.gz MYJUWEQEAAJPQE-AWEZNQCLSA-N 0 1 398.264 3.245 10 30 GGEEMN N#Cc1cnc2c(Br)cccc2c1NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000594588975 567488427 /nfs/dbraw/zinc/48/84/27/567488427.db2.gz GPESLKVQFZNRBH-ZDUSSCGKSA-N 0 1 399.252 3.451 10 30 GGEEMN N#Cc1cc(Br)cc(S(=O)(=O)Nc2cncc3c2CCCC3)c1 ZINC000594726816 567504376 /nfs/dbraw/zinc/50/43/76/567504376.db2.gz UTZZLOUUKUQFOM-UHFFFAOYSA-N 0 1 392.278 3.395 10 30 GGEEMN Cc1cc(Br)c(CNC[C@H](O)COc2ccc(C#N)cc2)s1 ZINC000594733500 567505195 /nfs/dbraw/zinc/50/51/95/567505195.db2.gz WKIYCOIETHDFLL-ZDUSSCGKSA-N 0 1 381.295 3.220 10 30 GGEEMN N#Cc1cc(S(=O)(=O)Nc2cccnc2N2CCCCC2)ccc1Cl ZINC000479130370 567506282 /nfs/dbraw/zinc/50/62/82/567506282.db2.gz DHSNFUFSMNKQDE-UHFFFAOYSA-N 0 1 376.869 3.398 10 30 GGEEMN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000594760603 567508120 /nfs/dbraw/zinc/50/81/20/567508120.db2.gz UEVQPJSHGKWUBD-SWLSCSKDSA-N 0 1 377.535 3.185 10 30 GGEEMN COC(=O)c1c(C)c(NS(=O)(=O)c2ccc(C#N)cc2Cl)ccc1F ZINC000571490216 567566769 /nfs/dbraw/zinc/56/67/69/567566769.db2.gz XFYQMYWMRRVYHZ-UHFFFAOYSA-N 0 1 382.800 3.247 10 30 GGEEMN CCOC(=O)c1csc(C(C#N)C(=O)Nc2cccc(Br)c2)n1 ZINC000505751739 567593907 /nfs/dbraw/zinc/59/39/07/567593907.db2.gz WISQSKBSYCJKJZ-NSHDSACASA-N 0 1 394.250 3.328 10 30 GGEEMN COc1cc(CNC(=O)c2cc(Br)cc3nc[nH]c32)ccc1C#N ZINC000460613433 567694765 /nfs/dbraw/zinc/69/47/65/567694765.db2.gz RAWXVGCNGLDUEL-UHFFFAOYSA-N 0 1 385.221 3.136 10 30 GGEEMN C=CCCCN(C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000532573632 567723278 /nfs/dbraw/zinc/72/32/78/567723278.db2.gz HAPDLHYQTFCLSR-UHFFFAOYSA-N 0 1 396.329 3.052 10 30 GGEEMN COCCOc1ccc(Br)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000443133333 567735168 /nfs/dbraw/zinc/73/51/68/567735168.db2.gz RTZGBHACMCMZSM-UHFFFAOYSA-N 0 1 391.221 3.304 10 30 GGEEMN N#CC1(C(=O)Nc2nc3ccc(I)cc3[nH]2)CCCC1 ZINC000598424194 567765386 /nfs/dbraw/zinc/76/53/86/567765386.db2.gz OBEQPJKVHXBRHK-UHFFFAOYSA-N 0 1 380.189 3.190 10 30 GGEEMN N#Cc1cccc(NC(=O)CCN2CCc3nccc(Br)c3C2)c1 ZINC000598945546 567799789 /nfs/dbraw/zinc/79/97/89/567799789.db2.gz LCPWMEZHBMYOIK-UHFFFAOYSA-N 0 1 385.265 3.103 10 30 GGEEMN N#Cc1ccsc1NC(=O)CCN1CCc2nccc(Br)c2C1 ZINC000598946835 567800014 /nfs/dbraw/zinc/80/00/14/567800014.db2.gz VZQNDXWBXURIGM-UHFFFAOYSA-N 0 1 391.294 3.164 10 30 GGEEMN CC(C)[C@@H]1CN(C(=O)c2ccc(C#N)nc2)CCCN1Cc1ccc(F)cc1 ZINC000072144768 570312511 /nfs/dbraw/zinc/31/25/11/570312511.db2.gz CSWFQFVMIQYPRB-NRFANRHFSA-N 0 1 380.467 3.465 10 30 GGEEMN C=CCOC[C@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147241 570549500 /nfs/dbraw/zinc/54/95/00/570549500.db2.gz LEKWEXHKYFYHGV-YADHBBJMSA-N 0 1 398.478 3.384 10 30 GGEEMN N#CC(c1nc2ccccc2nc1N1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000006942936 570715418 /nfs/dbraw/zinc/71/54/18/570715418.db2.gz PNZVKGZSGBYOFT-SFHVURJKSA-N 0 1 396.447 3.408 10 30 GGEEMN C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000032888374 570885556 /nfs/dbraw/zinc/88/55/56/570885556.db2.gz IMKCPVOSCADLFP-WOJBJXKFSA-N 0 1 390.531 3.332 10 30 GGEEMN C[C@@H](NC(=O)[C@@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000032888374 570885559 /nfs/dbraw/zinc/88/55/59/570885559.db2.gz IMKCPVOSCADLFP-WOJBJXKFSA-N 0 1 390.531 3.332 10 30 GGEEMN C=CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984041 570911237 /nfs/dbraw/zinc/91/12/37/570911237.db2.gz SCYJGCSVVGWUFG-FCHUYYIVSA-N 0 1 398.478 3.384 10 30 GGEEMN C=CCOC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984041 570911239 /nfs/dbraw/zinc/91/12/39/570911239.db2.gz SCYJGCSVVGWUFG-FCHUYYIVSA-N 0 1 398.478 3.384 10 30 GGEEMN C=CCN(C[C@H](O)COC(=O)CCC)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983655 570911695 /nfs/dbraw/zinc/91/16/95/570911695.db2.gz ASBBYAHJFGXBLB-ZWKOTPCHSA-N 0 1 394.899 3.025 10 30 GGEEMN CCOC(=O)c1ccc(Oc2nc3ccccc3nc2C(C#N)C(=O)OC)cc1 ZINC000032923281 570934933 /nfs/dbraw/zinc/93/49/33/570934933.db2.gz OGMABMKPYYDCSO-OAHLLOKOSA-N 0 1 391.383 3.379 10 30 GGEEMN C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1c(F)ccc(C)c1F)C2 ZINC000014751284 1399117840 /nfs/dbraw/zinc/11/78/40/1399117840.db2.gz BTKAPKHUNLFGAK-CQSZACIVSA-N 0 1 388.462 3.005 10 30 GGEEMN COCC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000070018059 1409739162 /nfs/dbraw/zinc/73/91/62/1409739162.db2.gz VAZQYGYBUONSPU-NRFANRHFSA-N 0 1 387.499 3.327 10 30 GGEEMN C#CCOc1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)cc1 ZINC000108250597 1411459783 /nfs/dbraw/zinc/45/97/83/1411459783.db2.gz QFZHGDJQBWVGGH-UHFFFAOYSA-N 0 1 396.262 3.271 10 30 GGEEMN CCOc1ccc(N(CCC#N)C(=O)CN(C)C2Cc3ccccc3C2)cc1 ZINC000141193019 1417529158 /nfs/dbraw/zinc/52/91/58/1417529158.db2.gz AQQPHONVFUXYQT-UHFFFAOYSA-N 0 1 377.488 3.431 10 30 GGEEMN C[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)CCN1Cc1ccccc1 ZINC000175844055 1427925849 /nfs/dbraw/zinc/92/58/49/1427925849.db2.gz GVIWADLDRNPBRJ-MAUKXSAKSA-N 0 1 387.480 3.029 10 30 GGEEMN C[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000181634816 1430331930 /nfs/dbraw/zinc/33/19/30/1430331930.db2.gz COTDXDUVBKOEEP-ZDUSSCGKSA-N 0 1 381.386 3.311 10 30 GGEEMN C[C@H](c1ccccc1)N(C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182623009 1430503958 /nfs/dbraw/zinc/50/39/58/1430503958.db2.gz BMIFLODLAAECGY-MJGOQNOKSA-N 0 1 382.533 3.150 10 30 GGEEMN Cc1ccc(S(=O)(=O)c2nc(C=[NH+][N-]c3ccccc3)oc2N(C)C)cc1 ZINC000254294453 1433870815 /nfs/dbraw/zinc/87/08/15/1433870815.db2.gz ZBTWVZPHYYDBSS-UHFFFAOYSA-N 0 1 384.461 3.328 10 30 GGEEMN CO[C@@H]1C(=O)N(c2cccc(F)c2)C12CCN(Cc1cccc(C#N)c1)CC2 ZINC000257179388 1433893790 /nfs/dbraw/zinc/89/37/90/1433893790.db2.gz IOZJKVJQBSWVEC-HXUWFJFHSA-N 0 1 379.435 3.094 10 30 GGEEMN