smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1[nH]c(=O)c(C(=O)N2CCCc3cc(F)ccc32)cc1C#N ZINC000097046545 295688286 /nfs/dbraw/zinc/68/82/86/295688286.db2.gz PMHLLOOWBMYNMZ-UHFFFAOYSA-N 0 2 343.383 3.113 10 30 EGEELN CN(/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc([N+](=O)[O-])cn1 ZINC000004306343 452799856 /nfs/dbraw/zinc/79/98/56/452799856.db2.gz OKZNNWFGJDXWMM-UBKPWBPPSA-N 0 2 341.154 3.473 10 30 EGEELN CCCC[C@H]1CCC[C@H]1NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000069541336 454118137 /nfs/dbraw/zinc/11/81/37/454118137.db2.gz SBKRXCMFWGZSKQ-SMDDNHRTSA-N 0 2 333.457 3.469 10 30 EGEELN N#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)[nH]c1C#N ZINC000107761839 454772660 /nfs/dbraw/zinc/77/26/60/454772660.db2.gz FSEVHFDNCJUTMJ-LSDHHAIUSA-N 0 2 327.347 3.048 10 30 EGEELN CSCc1cccc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)c1 ZINC000109700820 454833994 /nfs/dbraw/zinc/83/39/94/454833994.db2.gz WHBBOTGKFJZZJS-UHFFFAOYSA-N 0 2 345.449 3.084 10 30 EGEELN N#CC1(c2ccc(C(=O)Nc3nc(-c4ccccc4F)n[nH]3)cc2)CC1 ZINC000181887404 455395088 /nfs/dbraw/zinc/39/50/88/455395088.db2.gz OSGRRKHVJASMHJ-UHFFFAOYSA-N 0 2 347.353 3.418 10 30 EGEELN N#C[C@H](NC(=O)[C@H](F)C(F)(F)F)c1ccc(Br)cc1 ZINC000292784721 455756286 /nfs/dbraw/zinc/75/62/86/455756286.db2.gz MCHBLSMKAOFQFI-IUCAKERBSA-N 0 2 339.086 3.030 10 30 EGEELN N#C[C@H](NC(=O)C(F)C(F)(F)F)c1ccc(Br)cc1 ZINC000292784721 455756291 /nfs/dbraw/zinc/75/62/91/455756291.db2.gz MCHBLSMKAOFQFI-IUCAKERBSA-N 0 2 339.086 3.030 10 30 EGEELN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000186716123 455826945 /nfs/dbraw/zinc/82/69/45/455826945.db2.gz BDXYFIDMRPTSOT-UHFFFAOYSA-N 0 2 348.305 3.407 10 30 EGEELN CCc1ccc(S(=O)(=O)Nc2ccccc2O[C@@H](C)C#N)s1 ZINC000272456588 455956689 /nfs/dbraw/zinc/95/66/89/455956689.db2.gz NMEBYHXOXYXINK-NSHDSACASA-N 0 2 336.438 3.402 10 30 EGEELN C=CCN(Cc1ccccc1F)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343129721 456422224 /nfs/dbraw/zinc/42/22/24/456422224.db2.gz KKOKUMKNZBVUJV-UHFFFAOYSA-N 0 2 330.315 3.268 10 30 EGEELN N#C[C@@H](C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1ccncn1 ZINC000354468340 457243350 /nfs/dbraw/zinc/24/33/50/457243350.db2.gz NGAIWPVMNBLSCH-SNVBAGLBSA-N 0 2 342.330 3.368 10 30 EGEELN N#CC(C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1ccncn1 ZINC000354468340 457243354 /nfs/dbraw/zinc/24/33/54/457243354.db2.gz NGAIWPVMNBLSCH-SNVBAGLBSA-N 0 2 342.330 3.368 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)NCC[C@@H]2CCCC[C@@H]2C)cc1C#N ZINC000358532124 458058992 /nfs/dbraw/zinc/05/89/92/458058992.db2.gz HKSRJVUCTRLXTJ-RYUDHWBXSA-N 0 2 333.457 3.327 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)cc1C#N ZINC000412829329 458285076 /nfs/dbraw/zinc/28/50/76/458285076.db2.gz UHOXUQZFZKFSDV-CHWSQXEVSA-N 0 2 333.457 3.325 10 30 EGEELN CC(C)c1csc(NS(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000525212883 459428704 /nfs/dbraw/zinc/42/87/04/459428704.db2.gz PHYZPWXNDPBPRZ-UHFFFAOYSA-N 0 2 325.390 3.078 10 30 EGEELN CCOC(=O)c1csc([C@H](C#N)C(=O)c2oc(CC)cc2C)n1 ZINC000487914364 459535962 /nfs/dbraw/zinc/53/59/62/459535962.db2.gz QMEZHDPZMOKJOK-LLVKDONJSA-N 0 2 332.381 3.274 10 30 EGEELN CCOC(=O)c1csc(C(C#N)C(=O)c2oc(CC)cc2C)n1 ZINC000487914364 459535969 /nfs/dbraw/zinc/53/59/69/459535969.db2.gz QMEZHDPZMOKJOK-LLVKDONJSA-N 0 2 332.381 3.274 10 30 EGEELN CC(C)(C)c1nc(=NC(=O)NC(C)(C)c2cccc(C#N)c2)s[nH]1 ZINC000596728475 459743360 /nfs/dbraw/zinc/74/33/60/459743360.db2.gz ZKLULZHAYSGUHF-UHFFFAOYSA-N 0 2 343.456 3.186 10 30 EGEELN N#CCCCCNC(=O)N=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000597018453 459819601 /nfs/dbraw/zinc/81/96/01/459819601.db2.gz DLLZBWNXPYNPDK-UHFFFAOYSA-N 0 2 335.820 3.096 10 30 EGEELN CC(C)c1cc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)no1 ZINC000593277558 459827462 /nfs/dbraw/zinc/82/74/62/459827462.db2.gz WTVZBGGHBUNXHC-UHFFFAOYSA-N 0 2 333.413 3.400 10 30 EGEELN C=CCC1(C(=O)NC[C@H]2CCN2Cc2ccc(COC)cc2)CCC1 ZINC001323301778 1387327897 /nfs/dbraw/zinc/32/78/97/1387327897.db2.gz KJMDUTGUHLPJMV-LJQANCHMSA-N 0 2 342.483 3.270 10 30 EGEELN N#Cc1c2ccccc2[nH]c1C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC001160638928 1382158113 /nfs/dbraw/zinc/15/81/13/1382158113.db2.gz CGFRNJQJWKQCQC-UHFFFAOYSA-N 0 2 346.325 3.216 10 30 EGEELN COC1(C(=O)C(C#N)c2ncc(F)cc2F)CCC(F)(F)CC1 ZINC001345999867 1390900052 /nfs/dbraw/zinc/90/00/52/1390900052.db2.gz MJLJFZSASJQGCX-JTQLQIEISA-N 0 2 330.281 3.131 10 30 EGEELN COC1(C(=O)[C@@H](C#N)c2ncc(F)cc2F)CCC(F)(F)CC1 ZINC001345999867 1390900054 /nfs/dbraw/zinc/90/00/54/1390900054.db2.gz MJLJFZSASJQGCX-JTQLQIEISA-N 0 2 330.281 3.131 10 30 EGEELN COCCOCc1ccc(C(=O)[C@@H](C#N)c2ncc(F)cc2F)cc1 ZINC001350352863 1391452071 /nfs/dbraw/zinc/45/20/71/1391452071.db2.gz HTJQMHPXDDCWTJ-HNNXBMFYSA-N 0 2 346.333 3.013 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)Nc2ccc3scnc3c2)cc1C#N ZINC000338137357 141100400 /nfs/dbraw/zinc/10/04/00/141100400.db2.gz PZNRWDCZXADEON-UHFFFAOYSA-N 0 2 342.405 3.243 10 30 EGEELN Cc1ccsc1-c1nc(=NC(=O)c2ccc(C#N)s2)s[nH]1 ZINC000472269006 268066154 /nfs/dbraw/zinc/06/61/54/268066154.db2.gz SELMOTQCAPQJKH-UHFFFAOYSA-N 0 2 332.435 3.182 10 30 EGEELN Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccccc3F)c2)c1 ZINC000005862039 452905190 /nfs/dbraw/zinc/90/51/90/452905190.db2.gz GGXWPRYBDDFEHT-UHFFFAOYSA-N 0 2 348.333 3.093 10 30 EGEELN CCC[C@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000077447812 454107817 /nfs/dbraw/zinc/10/78/17/454107817.db2.gz AUUOQYGLSOGCJS-SMDDNHRTSA-N 0 2 333.457 3.469 10 30 EGEELN Cc1ccc2c(c1)C(=NO)C(=O)N2CCOc1ccc(Cl)cc1 ZINC000252458543 455804964 /nfs/dbraw/zinc/80/49/64/455804964.db2.gz QIMLDTUJABBECA-UHFFFAOYSA-N 0 2 330.771 3.252 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1C#N ZINC000349777456 457047938 /nfs/dbraw/zinc/04/79/38/457047938.db2.gz NURTVMPSOAOVSY-GYSYKLTISA-N 0 2 331.441 3.174 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000349777463 457048094 /nfs/dbraw/zinc/04/80/94/457048094.db2.gz NURTVMPSOAOVSY-SUNKGSAMSA-N 0 2 331.441 3.174 10 30 EGEELN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(C)c(CC)o2)n1 ZINC000351973181 457326402 /nfs/dbraw/zinc/32/64/02/457326402.db2.gz BCJHXHKHXOAGEP-SNVBAGLBSA-N 0 2 332.381 3.274 10 30 EGEELN CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(C)c(CC)o2)n1 ZINC000351973181 457326409 /nfs/dbraw/zinc/32/64/09/457326409.db2.gz BCJHXHKHXOAGEP-SNVBAGLBSA-N 0 2 332.381 3.274 10 30 EGEELN N#CCCC[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459502219 458393641 /nfs/dbraw/zinc/39/36/41/458393641.db2.gz GAVNZFAOJJVLRT-UHFFFAOYSA-N 0 2 346.906 3.230 10 30 EGEELN C[C@H](C#N)CN(C(=O)c1cc(Br)c(F)cc1O)C1CC1 ZINC000450348350 458446164 /nfs/dbraw/zinc/44/61/64/458446164.db2.gz KRKHXKHVYRLXMR-MRVPVSSYSA-N 0 2 341.180 3.058 10 30 EGEELN Cc1ccnc(NS(=O)(=O)c2ccc(C#N)c(F)c2)c1C1CC1 ZINC000594728052 459142435 /nfs/dbraw/zinc/14/24/35/459142435.db2.gz SOJJFKKZCWTLSF-UHFFFAOYSA-N 0 2 331.372 3.079 10 30 EGEELN Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593210682 459809272 /nfs/dbraw/zinc/80/92/72/459809272.db2.gz LWYMNRZNJRXQSH-UHFFFAOYSA-N 0 2 345.424 3.462 10 30 EGEELN CCc1cnc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)s1 ZINC000593277614 459827423 /nfs/dbraw/zinc/82/74/23/459827423.db2.gz XLJGQFCLOUDXTN-UHFFFAOYSA-N 0 2 335.454 3.307 10 30 EGEELN Cc1cc(NS(=O)(=O)c2cccc(CC#N)c2)nn1[C@@H](C)C1CC1 ZINC000619463737 460363092 /nfs/dbraw/zinc/36/30/92/460363092.db2.gz VEDMENCUNWMFOC-ZDUSSCGKSA-N 0 2 344.440 3.029 10 30 EGEELN Cc1csc([C@@H](C#N)C(=O)CCc2cc3ccccc3[nH]c2=O)n1 ZINC000129956015 1293640101 /nfs/dbraw/zinc/64/01/01/1293640101.db2.gz CMPCEFNSEWNKFT-AWEZNQCLSA-N 0 2 337.404 3.102 10 30 EGEELN CC(C)(C)c1csc(NS(=O)(=O)c2cc(F)cc(C#N)c2)n1 ZINC000872002677 1296645345 /nfs/dbraw/zinc/64/53/45/1296645345.db2.gz ZBMKIQXTPZTMFM-UHFFFAOYSA-N 0 2 339.417 3.252 10 30 EGEELN C[C@]1(NC(=O)C(F)(F)F)CCN(c2cccc(C(F)F)c2C#N)C1 ZINC000866283911 1330090512 /nfs/dbraw/zinc/09/05/12/1330090512.db2.gz FREBHXVWYNATQH-AWEZNQCLSA-N 0 2 347.287 3.143 10 30 EGEELN COc1cccc(CO[C@@H](C)C(=O)[C@@H](C#N)c2ncc(F)cc2F)c1 ZINC001346765231 1390978149 /nfs/dbraw/zinc/97/81/49/1390978149.db2.gz VMLQNTABNSIHMG-NHYWBVRUSA-N 0 2 346.333 3.150 10 30 EGEELN CCn1ccnc1[C@H](C#N)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC001347337482 1391056750 /nfs/dbraw/zinc/05/67/50/1391056750.db2.gz JEISGWICRASCKE-MRXNPFEDSA-N 0 2 325.412 3.456 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2Cc3ccccc3[C@H]2C)cc1C#N ZINC000341921548 295688515 /nfs/dbraw/zinc/68/85/15/295688515.db2.gz FYHJKPLRBZBQJL-SNVBAGLBSA-N 0 2 325.393 3.098 10 30 EGEELN O=C(CC1S/C(=N\C2CCCCC2)NC1=O)Nc1ccc(F)cc1 ZINC000021132935 202061752 /nfs/dbraw/zinc/06/17/52/202061752.db2.gz ULZRUSXQZBLUMD-AWEZNQCLSA-N 0 2 349.431 3.075 10 30 EGEELN O=C(C[C@@H]1S/C(=N\C2CCCCC2)NC1=O)Nc1ccc(F)cc1 ZINC000021132935 202061756 /nfs/dbraw/zinc/06/17/56/202061756.db2.gz ULZRUSXQZBLUMD-AWEZNQCLSA-N 0 2 349.431 3.075 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000408177585 169163426 /nfs/dbraw/zinc/16/34/26/169163426.db2.gz PXVSECSFHVQWQW-JKOKRWQUSA-N 0 2 331.441 3.031 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2CC3(CC3)c3ccccc32)cc1C#N ZINC000352615384 156382799 /nfs/dbraw/zinc/38/27/99/156382799.db2.gz BXWLQUSASVIYQI-UHFFFAOYSA-N 0 2 337.404 3.073 10 30 EGEELN Cc1ccsc1-c1nc(=NC(=O)Cc2ccc(C#N)cc2)s[nH]1 ZINC000350124197 165007111 /nfs/dbraw/zinc/00/71/11/165007111.db2.gz MFVCQUAJCCESCB-UHFFFAOYSA-N 0 2 340.433 3.050 10 30 EGEELN CCc1ccc(NS(=O)(=O)c2c(F)cc(C#N)cc2F)cc1F ZINC000443455451 270052003 /nfs/dbraw/zinc/05/20/03/270052003.db2.gz QICIXVOJOPWCFI-UHFFFAOYSA-N 0 2 340.326 3.339 10 30 EGEELN CCC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000077447804 454107850 /nfs/dbraw/zinc/10/78/50/454107850.db2.gz AUUOQYGLSOGCJS-FZMZJTMJSA-N 0 2 333.457 3.469 10 30 EGEELN CC(=O)NCc1ccc(C(O)=C(C#N)C(=O)c2cccc(C)c2C)cc1 ZINC000100779564 454467652 /nfs/dbraw/zinc/46/76/52/454467652.db2.gz FGUKZZVIVWKVLS-IBGZPJMESA-N 0 2 348.402 3.145 10 30 EGEELN COc1ccccc1N1CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C1 ZINC000129384069 455109426 /nfs/dbraw/zinc/10/94/26/455109426.db2.gz HPPJXKMOCDFQCB-YRIIZNAFSA-N 0 2 341.367 3.007 10 30 EGEELN CC(C)(C#N)c1ccc(CNc2nc(C3CCOCC3)ns2)cc1 ZINC000601065221 460697038 /nfs/dbraw/zinc/69/70/38/460697038.db2.gz XXWSRMZOHNPXKV-UHFFFAOYSA-N 0 2 342.468 3.267 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)Nc2ncc(C(C)C)s2)cc1C#N ZINC000349778477 457048962 /nfs/dbraw/zinc/04/89/62/457048962.db2.gz QOGNLVZJUPINIJ-UHFFFAOYSA-N 0 2 334.426 3.213 10 30 EGEELN COc1ccc(Cl)cc1NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000349803660 457058375 /nfs/dbraw/zinc/05/83/75/457058375.db2.gz FIQIXRHKHVPXAR-UHFFFAOYSA-N 0 2 349.799 3.295 10 30 EGEELN C=C[C@@H]1OCC[C@H]1CN=c1[nH]nc(Cc2ccc(Cl)cc2)s1 ZINC000425265772 457475908 /nfs/dbraw/zinc/47/59/08/457475908.db2.gz XAQHYZOAQHFDTA-JSGCOSHPSA-N 0 2 335.860 3.207 10 30 EGEELN CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(C#N)s2)c(O)c1 ZINC000443532800 457776562 /nfs/dbraw/zinc/77/65/62/457776562.db2.gz UPETXLBHUUIREZ-UHFFFAOYSA-N 0 2 336.438 3.424 10 30 EGEELN CC(C)(C)n1cnc(=NC(=O)N[C@H](CCCC#N)c2ccccc2)[nH]1 ZINC000455138046 458586490 /nfs/dbraw/zinc/58/64/90/458586490.db2.gz NAYVQCXTEXFICT-OAHLLOKOSA-N 0 2 340.431 3.012 10 30 EGEELN CC(C)(C)c1cnc(NS(=O)(=O)Cc2ccc(CC#N)cc2)s1 ZINC000567353011 459091086 /nfs/dbraw/zinc/09/10/86/459091086.db2.gz WXNOBAPKDXSION-UHFFFAOYSA-N 0 2 349.481 3.449 10 30 EGEELN N#CC1(c2ccc(C(=O)N=c3nc(-c4ccccc4)[nH]s3)cc2)CC1 ZINC000538537221 459372037 /nfs/dbraw/zinc/37/20/37/459372037.db2.gz ILVGNTSMOPMDSA-UHFFFAOYSA-N 0 2 346.415 3.434 10 30 EGEELN Cc1c(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)[nH]nc1C(C)C ZINC000592385105 459587324 /nfs/dbraw/zinc/58/73/24/459587324.db2.gz RFUMYCJMGTYULR-UHFFFAOYSA-N 0 2 338.820 3.167 10 30 EGEELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@H](CC#N)C2)s[nH]1 ZINC000596842033 459776073 /nfs/dbraw/zinc/77/60/73/459776073.db2.gz AJLVUMCVLSBFKC-LLVKDONJSA-N 0 2 347.469 3.155 10 30 EGEELN CC1(C)Cc2cccc(NS(=O)(=O)c3ccsc3C#N)c2O1 ZINC000593210081 459808171 /nfs/dbraw/zinc/80/81/71/459808171.db2.gz FHOMAZPJBOCWGV-UHFFFAOYSA-N 0 2 334.422 3.134 10 30 EGEELN C=C(C)COc1cc(C[NH2+]CC[N@H+]2CC=C(C)CC2)ccc1OC ZINC000545856358 459861324 /nfs/dbraw/zinc/86/13/24/459861324.db2.gz RGXQVRCSEDRJCF-UHFFFAOYSA-N 0 2 330.472 3.392 10 30 EGEELN C=CC[C@H]1CCN(C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)C1 ZINC000626485347 460546783 /nfs/dbraw/zinc/54/67/83/460546783.db2.gz RCHVADKZFKEECC-LBPRGKRZSA-N 0 2 344.440 3.066 10 30 EGEELN CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(CC#N)ccn2)cc1F ZINC000872004299 1296645718 /nfs/dbraw/zinc/64/57/18/1296645718.db2.gz KMYHMLKHLDEYJJ-UHFFFAOYSA-N 0 2 347.415 3.385 10 30 EGEELN C=CCCCNC(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC000880442510 1301118116 /nfs/dbraw/zinc/11/81/16/1301118116.db2.gz JCGLAIBPTVUFSX-UHFFFAOYSA-N 0 2 347.312 3.092 10 30 EGEELN C=C(C)CCc1noc(-c2ccc(CNC(=O)C(F)(F)F)o2)n1 ZINC000858765021 1328855734 /nfs/dbraw/zinc/85/57/34/1328855734.db2.gz LZJXRLMDLCIRDN-UHFFFAOYSA-N 0 2 329.278 3.017 10 30 EGEELN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN1Cc1ncc(Cl)s1 ZINC001323301022 1387328808 /nfs/dbraw/zinc/32/88/08/1387328808.db2.gz DYAFBTBOJDKUPR-NHYWBVRUSA-N 0 2 327.881 3.089 10 30 EGEELN Cc1[nH+]cn(-c2ccc(NC(=O)c3[n-]c(=O)c(C#N)cc3C)cc2)c1C ZINC001141572654 1378345351 /nfs/dbraw/zinc/34/53/51/1378345351.db2.gz TXCKGVVLIZKHLE-UHFFFAOYSA-N 0 2 347.378 3.022 10 30 EGEELN C=CCCCCCCNC(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC001297616805 1383197144 /nfs/dbraw/zinc/19/71/44/1383197144.db2.gz SAXIJULMHIWEDF-UHFFFAOYSA-N 0 2 343.427 3.453 10 30 EGEELN N#C[C@H](C(=O)C1CCC(F)(F)CC1)c1nc(N)c2ccccc2n1 ZINC001342582592 1390629189 /nfs/dbraw/zinc/62/91/89/1390629189.db2.gz DDMRGXRNOSFRAN-GFCCVEGCSA-N 0 2 330.338 3.214 10 30 EGEELN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)[C@@H](C#N)c1ncc(F)cc1F ZINC001350354428 1391452539 /nfs/dbraw/zinc/45/25/39/1391452539.db2.gz QTORZAUCNHJWHJ-ZBEGNZNMSA-N 0 2 342.345 3.492 10 30 EGEELN C=CCC[C@@H]1CCCN1c1nnc(-c2n[nH]c(Cl)n2)n1CC1CC1 ZINC001351334200 1391628618 /nfs/dbraw/zinc/62/86/18/1391628618.db2.gz RTVVANQEANCREY-GFCCVEGCSA-N 0 2 347.854 3.062 10 30 EGEELN Cc1nc(C(F)(F)F)ccc1NS(=O)(=O)c1ccccc1C#N ZINC000337852161 141067204 /nfs/dbraw/zinc/06/72/04/141067204.db2.gz JPTQWRRAUOBDFM-UHFFFAOYSA-N 0 2 341.314 3.081 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)NCc2coc3ccccc23)cc1C#N ZINC000352386544 165375871 /nfs/dbraw/zinc/37/58/71/165375871.db2.gz AGHMZQDQLDSXJI-UHFFFAOYSA-N 0 2 339.376 3.057 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@H]2CC3CCC2CC3)cc1C#N ZINC000575067314 324409549 /nfs/dbraw/zinc/40/95/49/324409549.db2.gz IXFAROLDRSKBLM-MLCFOIATSA-N 0 2 345.468 3.325 10 30 EGEELN C/C=C\C[C@@H]1CCCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000600805011 460611152 /nfs/dbraw/zinc/61/11/52/460611152.db2.gz OTMPXRKJDLQTTM-VSQXVHSFSA-N 0 2 331.441 3.199 10 30 EGEELN Cc1cc(C(=O)[C@@H](C#N)c2nc(C)cc(C)n2)nn1-c1ccc(F)cc1 ZINC000097231541 454427836 /nfs/dbraw/zinc/42/78/36/454427836.db2.gz ZYJRTYHMZVHWAW-MRXNPFEDSA-N 0 2 349.369 3.217 10 30 EGEELN Cc1cc(C(=O)C(C#N)c2nc(C)cc(C)n2)nn1-c1ccc(F)cc1 ZINC000097231541 454427841 /nfs/dbraw/zinc/42/78/41/454427841.db2.gz ZYJRTYHMZVHWAW-MRXNPFEDSA-N 0 2 349.369 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C[C@]1(C#N)CCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000598774348 460030392 /nfs/dbraw/zinc/03/03/92/460030392.db2.gz GYGKETMBIRIBIT-CYBMUJFWSA-N 0 2 343.608 3.184 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)NCC(C2CCC2)C2CCC2)cc1C#N ZINC000600163745 460415379 /nfs/dbraw/zinc/41/53/79/460415379.db2.gz AXMSAYRIJVTYMJ-UHFFFAOYSA-N 0 2 345.468 3.327 10 30 EGEELN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000613287239 460896994 /nfs/dbraw/zinc/89/69/94/460896994.db2.gz BQGGKQQSPOLBLC-LBPRGKRZSA-N 0 2 331.335 3.046 10 30 EGEELN O=C(CSc1nnc(N[NH+]=Cc2ccccc2)[n-]1)c1ccccc1 ZINC000006337713 527084950 /nfs/dbraw/zinc/08/49/50/527084950.db2.gz XNUFXBMCZQUKHH-WOJGMQOQSA-N 0 2 337.408 3.226 10 30 EGEELN COc1ccc(C[C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000730146757 574925179 /nfs/dbraw/zinc/92/51/79/574925179.db2.gz FKVBKNROEMOCRZ-ZDFPAGSVSA-N 0 2 344.367 3.368 10 30 EGEELN O=C([O-])Cc1ccc(C(=O)/C=C/c2[nH+]ccn2Cc2ccccc2)cc1 ZINC000734095784 575439443 /nfs/dbraw/zinc/43/94/43/575439443.db2.gz 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N#CC(C(=O)CCc1nnc(C2CCCC2)o1)c1ncc(F)cc1F ZINC001346006772 1390900402 /nfs/dbraw/zinc/90/04/02/1390900402.db2.gz IXVDTXFYKQNQLM-GFCCVEGCSA-N 0 2 346.337 3.209 10 30 EGEELN CCn1ccnc1[C@@H](C#N)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC001347337481 1391056632 /nfs/dbraw/zinc/05/66/32/1391056632.db2.gz JEISGWICRASCKE-INIZCTEOSA-N 0 2 325.412 3.456 10 30 EGEELN N#CC(C(=O)CN1CCCCCCC1=O)c1nc2ccccc2s1 ZINC000069702451 203038245 /nfs/dbraw/zinc/03/82/45/203038245.db2.gz LJFLOZUQQCFLJU-ZDUSSCGKSA-N 0 2 341.436 3.265 10 30 EGEELN N#C[C@@H](C(=O)CN1CCCCCCC1=O)c1nc2ccccc2s1 ZINC000069702451 203038249 /nfs/dbraw/zinc/03/82/49/203038249.db2.gz LJFLOZUQQCFLJU-ZDUSSCGKSA-N 0 2 341.436 3.265 10 30 EGEELN CCCCOc1ccc(C=CC(=O)c2c(O)cc(C)oc2=O)cc1 ZINC000105639349 204151818 /nfs/dbraw/zinc/15/18/18/204151818.db2.gz WQEGPJQOWCVLJN-IEODJVTJSA-N 0 2 328.364 3.094 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N(Cc2ccco2)C(C)C)cc1C#N ZINC000344471413 141159522 /nfs/dbraw/zinc/15/95/22/141159522.db2.gz IXIYUPBKUGKYFL-UHFFFAOYSA-N 0 2 331.397 3.025 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)NCc2ccc(C3CC3)cc2)cc1C#N ZINC000564811352 316209670 /nfs/dbraw/zinc/20/96/70/316209670.db2.gz VFXOMULVGWKYFQ-UHFFFAOYSA-N 0 2 339.420 3.188 10 30 EGEELN Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(C3CCCCC3)c2)c1 ZINC000003350562 452760630 /nfs/dbraw/zinc/76/06/30/452760630.db2.gz VQJAUPHMLLRGHC-UHFFFAOYSA-N 0 2 336.391 3.470 10 30 EGEELN CC(=O)N(CCC(=O)C(C#N)=C(O)c1ccccc1)Cc1ccccc1 ZINC000100684117 454466952 /nfs/dbraw/zinc/46/69/52/454466952.db2.gz MEQLIODZFTVTDQ-IBGZPJMESA-N 0 2 348.402 3.017 10 30 EGEELN N#CC(=NNc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1Cl ZINC000252620732 455823757 /nfs/dbraw/zinc/82/37/57/455823757.db2.gz MKWGWQZQSIEDFA-UHFFFAOYSA-N 0 2 328.715 3.423 10 30 EGEELN C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cnc2n1CCC2 ZINC000352873338 456379899 /nfs/dbraw/zinc/37/98/99/456379899.db2.gz AETUNHQCOWSHIR-UHFFFAOYSA-N 0 2 345.468 3.482 10 30 EGEELN Cc1cc(NS(=O)(=O)c2cccc(C(C)C)c2)nn1CCC#N ZINC000348887511 456885772 /nfs/dbraw/zinc/88/57/72/456885772.db2.gz 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458312548 /nfs/dbraw/zinc/31/25/48/458312548.db2.gz CIIJGYDFOVTQEF-CQSZACIVSA-N 0 2 331.799 3.379 10 30 EGEELN CCOC(=O)c1csc(N[C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000419016250 458378033 /nfs/dbraw/zinc/37/80/33/458378033.db2.gz ONCNRKNPONFYGN-AWEZNQCLSA-N 0 2 327.409 3.103 10 30 EGEELN N#CC1(CNC(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)CCC1 ZINC000597019646 459819395 /nfs/dbraw/zinc/81/93/95/459819395.db2.gz JOQNQECPTLDCBJ-UHFFFAOYSA-N 0 2 347.831 3.096 10 30 EGEELN N#CC1(Cc2nc(-c3cc(F)c(O)c(Br)c3)no2)CC1 ZINC000598683240 459992844 /nfs/dbraw/zinc/99/28/44/459992844.db2.gz MIHSVQAMXKVRDH-UHFFFAOYSA-N 0 2 338.136 3.190 10 30 EGEELN N#CC[C@@H]1CCCN(C(=O)c2cc(Br)c(F)cc2O)C1 ZINC000597900459 460101166 /nfs/dbraw/zinc/10/11/66/460101166.db2.gz OFSXDHOIHFZJIM-VIFPVBQESA-N 0 2 341.180 3.060 10 30 EGEELN N#CCc1cccc2c1CCN(Cc1nc(=O)c3sccc3[nH]1)C2 ZINC000599676639 460306956 /nfs/dbraw/zinc/30/69/56/460306956.db2.gz FMYGZIRSAQOAEU-UHFFFAOYSA-N 0 2 336.420 3.021 10 30 EGEELN 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CCCCc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CC)cc1 ZINC000255293005 1296515053 /nfs/dbraw/zinc/51/50/53/1296515053.db2.gz BDPBDZPDXWKXDF-OAHLLOKOSA-N 0 2 347.484 3.117 10 30 EGEELN C=CCCc1ccc(S(=O)(=O)Nc2cn(C)nc2C2CC2)cc1 ZINC000882725057 1302079528 /nfs/dbraw/zinc/07/95/28/1302079528.db2.gz JMQRTLDBHIXFBH-UHFFFAOYSA-N 0 2 331.441 3.217 10 30 EGEELN C=CCC[C@H](OC(=O)c1ccc(CNC(=O)C(F)(F)F)o1)C1CC1 ZINC000860622226 1329337335 /nfs/dbraw/zinc/33/73/35/1329337335.db2.gz VXONTGDDALQUEF-LBPRGKRZSA-N 0 2 345.317 3.360 10 30 EGEELN Cc1cccc(CO[C@@H](C)C(=O)[C@@H](C#N)c2ncc(F)cc2F)c1 ZINC001123478024 1372483320 /nfs/dbraw/zinc/48/33/20/1372483320.db2.gz XTRPXVXVSYPFRQ-WFASDCNBSA-N 0 2 330.334 3.450 10 30 EGEELN C#C[C@@H](CCC)NC(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O ZINC001139967412 1377985196 /nfs/dbraw/zinc/98/51/96/1377985196.db2.gz PKFPIQVWKHUIKM-HNNXBMFYSA-N 0 2 325.412 3.233 10 30 EGEELN N#CC[C@H](NC(=O)C(F)(F)c1ccc(Cl)cc1)C(F)(F)F ZINC001334438985 1390538575 /nfs/dbraw/zinc/53/85/75/1390538575.db2.gz 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460024107 /nfs/dbraw/zinc/02/41/07/460024107.db2.gz AEFBNLLWKQLXJG-UHFFFAOYSA-N 0 2 340.408 3.214 10 30 EGEELN C=CC[C@@H]1CCN(C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)C1 ZINC000628488645 460438682 /nfs/dbraw/zinc/43/86/82/460438682.db2.gz DVXQSZCKGPCHGA-CYBMUJFWSA-N 0 2 329.375 3.064 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2CC(C)(C)[C@H]2c2ccco2)cc1C#N ZINC000601697392 460872932 /nfs/dbraw/zinc/87/29/32/460872932.db2.gz BBIRWMUFVHAEDM-CYBMUJFWSA-N 0 2 343.408 3.197 10 30 EGEELN CCOc1cc2c(cc1C=Cc1n[nH]c(=O)c(C#N)c1C)O[C@@H](C)C2 ZINC000096919897 1292954863 /nfs/dbraw/zinc/95/48/63/1292954863.db2.gz FZEFFIBUWWKOPN-GZTOBOFZSA-N 0 2 337.379 3.255 10 30 EGEELN COc1ccc(C[C@@H](C)/N=C/c2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000171752719 1294416762 /nfs/dbraw/zinc/41/67/62/1294416762.db2.gz FKVBKNROEMOCRZ-ZGXHQARYSA-N 0 2 344.367 3.368 10 30 EGEELN C=CC[NH+](CC=C)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC000020342289 212121668 /nfs/dbraw/zinc/12/16/68/212121668.db2.gz HXOZROGAVZGDSG-GFCCVEGCSA-N 0 2 348.468 3.184 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219106493 /nfs/dbraw/zinc/10/64/93/219106493.db2.gz FGUKZZVIVWKVLS-LJQANCHMSA-N 0 2 348.402 3.145 10 30 EGEELN Cc1cc(C(O)=C(C#N)C(=O)N2CCCC2)c(C)n1-c1ccccc1 ZINC000103502701 219308404 /nfs/dbraw/zinc/30/84/04/219308404.db2.gz QMPRJIVZGYQKHA-GOSISDBHSA-N 0 2 335.407 3.039 10 30 EGEELN N#Cc1ccc(CS(=O)(=O)Nc2cc(-c3ccccc3)on2)cc1 ZINC000095448005 218391933 /nfs/dbraw/zinc/39/19/33/218391933.db2.gz BPJWCIGSTDRDAE-UHFFFAOYSA-N 0 2 339.376 3.155 10 30 EGEELN C=CCn1c(SCc2n[nH]c(=S)o2)nnc1-c1ccccc1 ZINC000000154445 258017248 /nfs/dbraw/zinc/01/72/48/258017248.db2.gz IAFFBDFMFKTTTF-UHFFFAOYSA-N 0 2 331.426 3.469 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2Cc3cccc(Cl)c3C2)cc1C#N ZINC000360337268 167306042 /nfs/dbraw/zinc/30/60/42/167306042.db2.gz RQDMOVNOULHUNI-UHFFFAOYSA-N 0 2 345.811 3.190 10 30 EGEELN N#Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)ccn1 ZINC000193542517 270039378 /nfs/dbraw/zinc/03/93/78/270039378.db2.gz PWZVPIWYCZIVAS-LBPRGKRZSA-N 0 2 337.289 3.188 10 30 EGEELN 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454278713 /nfs/dbraw/zinc/27/87/13/454278713.db2.gz NZMZJZDTFMQFMV-HNNXBMFYSA-N 0 2 327.457 3.255 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2CCCC3(CCCCC3)C2)cc1C#N ZINC000111660048 454870813 /nfs/dbraw/zinc/87/08/13/454870813.db2.gz QNHPNXGTTFPLBD-UHFFFAOYSA-N 0 2 345.468 3.155 10 30 EGEELN Cc1ccc(OCCN2C(=O)C(=NO)c3cc(Cl)ccc32)cc1 ZINC000252458399 455805635 /nfs/dbraw/zinc/80/56/35/455805635.db2.gz FKHMQHTUIBQXNX-UHFFFAOYSA-N 0 2 330.771 3.252 10 30 EGEELN N#Cc1ccnc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000340638838 456592307 /nfs/dbraw/zinc/59/23/07/456592307.db2.gz OOHQPQYKBJTRKF-UHFFFAOYSA-N 0 2 346.170 3.200 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2CC[C@H](C)C3(CCC3)C2)cc1C#N ZINC000356881912 457195680 /nfs/dbraw/zinc/19/56/80/457195680.db2.gz SPTGSQXYECVQBM-NSHDSACASA-N 0 2 331.441 3.033 10 30 EGEELN Cc1cc(NS(=O)(=O)c2ccc(F)cc2C)c(C#N)cc1N(C)C ZINC000357495854 457565429 /nfs/dbraw/zinc/56/54/29/457565429.db2.gz ZXSSUFWEMKUIOX-UHFFFAOYSA-N 0 2 347.415 3.181 10 30 EGEELN CC1(C)CC[C@@]([NH2+]Cc2nc(C#N)cs2)(C(=O)[O-])c2ccccc21 ZINC000417576807 458365219 /nfs/dbraw/zinc/36/52/19/458365219.db2.gz HZTZHEQTAOISQH-SFHVURJKSA-N 0 2 341.436 3.156 10 30 EGEELN N#CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436928982 458407215 /nfs/dbraw/zinc/40/72/15/458407215.db2.gz UEIXYHMODWFUOE-INIZCTEOSA-N 0 2 339.351 3.465 10 30 EGEELN N#C[C@H](C(=O)c1cccc(C(=O)NC2CC2)c1)c1nc2ccccc2o1 ZINC000439660646 458736723 /nfs/dbraw/zinc/73/67/23/458736723.db2.gz ZPYSKUDVSZDMCU-OAHLLOKOSA-N 0 2 345.358 3.210 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N(CC2CC2)CC2CCC2)cc1C#N ZINC000526038531 459536185 /nfs/dbraw/zinc/53/61/85/459536185.db2.gz RSJQLLHSYQLUNB-UHFFFAOYSA-N 0 2 331.441 3.033 10 30 EGEELN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@](C)(C#N)C2)s[nH]1 ZINC000613784217 459932126 /nfs/dbraw/zinc/93/21/26/459932126.db2.gz QBHMASYVNOYXPL-OAHLLOKOSA-N 0 2 347.469 3.155 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2CCCc3sccc3C2)cc1C#N ZINC000609337520 459947330 /nfs/dbraw/zinc/94/73/30/459947330.db2.gz 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/nfs/dbraw/zinc/64/73/11/1296647311.db2.gz JQWSVKNPNIQCBA-UHFFFAOYSA-N 0 2 333.388 3.191 10 30 EGEELN C=C[C@@](C)(CC)COC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000860691337 1329344831 /nfs/dbraw/zinc/34/48/31/1329344831.db2.gz KVBWZFYKNFHMTG-AWEZNQCLSA-N 0 2 333.306 3.217 10 30 EGEELN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc(Cl)c2ncccc12 ZINC001142879672 1378502243 /nfs/dbraw/zinc/50/22/43/1378502243.db2.gz BTYLCKXUAAXATC-UHFFFAOYSA-N 0 2 338.754 3.421 10 30 EGEELN N#CCCCOc1cccnc1NC(=O)c1cc(F)cc(F)c1O ZINC001143253725 1378569509 /nfs/dbraw/zinc/56/95/09/1378569509.db2.gz WRFZBPAERMGLCY-UHFFFAOYSA-N 0 2 333.294 3.000 10 30 EGEELN C=CCCC[C@H](C(=O)N[C@H](C)c1nn(C)cc1O)c1ccccc1 ZINC001179926932 1386633564 /nfs/dbraw/zinc/63/35/64/1386633564.db2.gz QCJZQYSVDQEVMC-ZBFHGGJFSA-N 0 2 327.428 3.443 10 30 EGEELN C=C(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001342542929 1390624538 /nfs/dbraw/zinc/62/45/38/1390624538.db2.gz QTFBNMNQFKJXBO-VXGBXAGGSA-N 0 2 347.854 3.062 10 30 EGEELN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N(CC)C1CC(C)(C)C1 ZINC001351543139 1391650203 /nfs/dbraw/zinc/65/02/03/1391650203.db2.gz CFVBNBVUBGQVEL-UHFFFAOYSA-N 0 2 344.463 3.068 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)Nc2cc(F)c(F)cc2F)cc1C#N ZINC000349837644 295689290 /nfs/dbraw/zinc/68/92/90/295689290.db2.gz JEUXHDMQQLRCPY-UHFFFAOYSA-N 0 2 339.298 3.050 10 30 EGEELN COCc1nnc([C@H]2CCCCN2Cc2ccc(Cl)cc2C#N)[nH]1 ZINC000408473963 169179179 /nfs/dbraw/zinc/17/91/79/169179179.db2.gz VWYBNAZAUBYTGR-OAHLLOKOSA-N 0 2 345.834 3.203 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N(C)CCC2CCCCC2)cc1C#N ZINC000101680553 140844452 /nfs/dbraw/zinc/84/44/52/140844452.db2.gz CDGZILJBGYJTQW-UHFFFAOYSA-N 0 2 333.457 3.011 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2cccc(C)c2C)cc1C#N ZINC000115726420 152028774 /nfs/dbraw/zinc/02/87/74/152028774.db2.gz SHECKIGWIRGTQO-GFCCVEGCSA-N 0 2 341.436 3.076 10 30 EGEELN Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000126941361 162318514 /nfs/dbraw/zinc/31/85/14/162318514.db2.gz HJJSIJOLBRBQNA-UHFFFAOYSA-N 0 2 337.788 3.186 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N(C)C[C@@H](C)c2ccccc2)cc1C#N ZINC000067178112 453908989 /nfs/dbraw/zinc/90/89/89/453908989.db2.gz AIJOTCSGKAGXJO-GFCCVEGCSA-N 0 2 341.436 3.256 10 30 EGEELN O=C(NS(=O)(=O)c1cccnc1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000048532886 454496336 /nfs/dbraw/zinc/49/63/36/454496336.db2.gz LGPUIVSARBLLCQ-GHMZBOCLSA-N 0 2 336.335 3.096 10 30 EGEELN N#C[C@@H](C(=O)c1cnn2c1CCCC2)c1nc(-c2ccncc2)cs1 ZINC000125667765 454838325 /nfs/dbraw/zinc/83/83/25/454838325.db2.gz RLUNRIXATYNUNH-ZDUSSCGKSA-N 0 2 349.419 3.228 10 30 EGEELN N#CCCN(Cc1ccccn1)C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000184375988 455375048 /nfs/dbraw/zinc/37/50/48/455375048.db2.gz YRLKBJDFSRKUGO-UHFFFAOYSA-N 0 2 333.750 3.136 10 30 EGEELN CC1(c2nc(=NCc3cccn3Cc3ccccc3C#N)s[nH]2)CC1 ZINC000601064498 460695689 /nfs/dbraw/zinc/69/56/89/460695689.db2.gz OALQZHSMVMAAOM-UHFFFAOYSA-N 0 2 349.463 3.345 10 30 EGEELN N#Cc1ccnc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000352860491 456369633 /nfs/dbraw/zinc/36/96/33/456369633.db2.gz YCNFMGHZYPXZQE-UHFFFAOYSA-N 0 2 335.388 3.421 10 30 EGEELN CC[C@H](NC(=O)N=c1nc(C(C)(C)C)[nH]s1)c1nccs1 ZINC000330876922 457097682 /nfs/dbraw/zinc/09/76/82/457097682.db2.gz GGJXMDVXAJCKKY-QMMMGPOBSA-N 0 2 325.463 3.191 10 30 EGEELN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)c1ccncn1 ZINC000354462845 457239697 /nfs/dbraw/zinc/23/96/97/457239697.db2.gz IMXDZNISYHFMKZ-LLVKDONJSA-N 0 2 342.424 3.321 10 30 EGEELN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)C(C#N)c1ccncn1 ZINC000354462845 457239703 /nfs/dbraw/zinc/23/97/03/457239703.db2.gz IMXDZNISYHFMKZ-LLVKDONJSA-N 0 2 342.424 3.321 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)Nc2cc3[nH]ccc3cc2C)cc1C#N ZINC000444450753 457898488 /nfs/dbraw/zinc/89/84/88/457898488.db2.gz SDSFXTVDQCSLST-UHFFFAOYSA-N 0 2 338.392 3.423 10 30 EGEELN Cc1ccsc1-c1nc(=NC(=O)N(C)CC(C)(C)C#N)s[nH]1 ZINC000455159022 458586369 /nfs/dbraw/zinc/58/63/69/458586369.db2.gz NWUDHTUXBGWFJS-UHFFFAOYSA-N 0 2 335.458 3.010 10 30 EGEELN Cc1ccsc1-c1nc(=NC(=O)N(C[C@@H](C)C#N)C2CC2)s[nH]1 ZINC000546743478 458670842 /nfs/dbraw/zinc/67/08/42/458670842.db2.gz QRYHBOKQUREZBO-VIFPVBQESA-N 0 2 347.469 3.153 10 30 EGEELN C=CCn1c([C@@H]2Cc3ccccc3O2)n[n-]c1=[NH+]c1cccc(OC)c1 ZINC000581100874 459267791 /nfs/dbraw/zinc/26/77/91/459267791.db2.gz UKRZTKYPSVUHDJ-SFHVURJKSA-N 0 2 348.406 3.314 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N[C@@H](C2CCC2)C2CCCC2)cc1C#N ZINC000592835164 459701445 /nfs/dbraw/zinc/70/14/45/459701445.db2.gz WBHGXRCKYRRTKM-OAHLLOKOSA-N 0 2 345.468 3.469 10 30 EGEELN C=CCCSCCNC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000596835695 459774905 /nfs/dbraw/zinc/77/49/05/459774905.db2.gz FXZDTDPGIMVJDA-UHFFFAOYSA-N 0 2 340.499 3.119 10 30 EGEELN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)[C@@H]3CC(C)(C)OC3(C)C)nc21 ZINC000528958097 459819076 /nfs/dbraw/zinc/81/90/76/459819076.db2.gz YUOTXYUHRFNFNA-RYUDHWBXSA-N 0 2 326.400 3.036 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C2CCC(F)CC2)cc1C#N ZINC000598366919 459881156 /nfs/dbraw/zinc/88/11/56/459881156.db2.gz ODIFZJIUCLBDFK-BMQDGWLCSA-N 0 2 337.420 3.027 10 30 EGEELN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000618892847 460211364 /nfs/dbraw/zinc/21/13/64/460211364.db2.gz QWJWJYWTMWODGJ-HNNXBMFYSA-N 0 2 330.746 3.474 10 30 EGEELN N#Cc1c(C(F)(F)F)cc(=O)[nH]c1SCC(=O)OCC1CCC1 ZINC000744510865 576830268 /nfs/dbraw/zinc/83/02/68/576830268.db2.gz CTIYEGZYNWQHBD-UHFFFAOYSA-N 0 2 346.330 3.113 10 30 EGEELN N#CCc1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)cc1 ZINC001116752810 1370967770 /nfs/dbraw/zinc/96/77/70/1370967770.db2.gz OUQQNRLQGYLOMK-UHFFFAOYSA-N 0 2 347.343 3.029 10 30 EGEELN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1nc(-c2cccs2)cs1 ZINC001136636085 1377411592 /nfs/dbraw/zinc/41/15/92/1377411592.db2.gz LHMJWPOUHOYBFL-UHFFFAOYSA-N 0 2 342.405 3.405 10 30 EGEELN CCCCCCCNC(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC001148484012 1379183143 /nfs/dbraw/zinc/18/31/43/1379183143.db2.gz WPZPRLCOMCYLEL-UHFFFAOYSA-N 0 2 331.416 3.287 10 30 EGEELN C=CCCn1cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)nn1 ZINC001295107780 1382540778 /nfs/dbraw/zinc/54/07/78/1382540778.db2.gz NROLAIFTLFSNEG-UHFFFAOYSA-N 0 2 327.171 3.119 10 30 EGEELN CSCc1ccccc1NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000354316827 166001995 /nfs/dbraw/zinc/00/19/95/166001995.db2.gz LZNKXEJSGROKIZ-UHFFFAOYSA-N 0 2 345.449 3.496 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N[C@H](CC(F)(F)F)C(C)C)cc1C#N ZINC000438618029 269817271 /nfs/dbraw/zinc/81/72/71/269817271.db2.gz IFGXDCBRAYNMNJ-SNVBAGLBSA-N 0 2 347.362 3.088 10 30 EGEELN CC(C)Oc1ccc(F)cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000066586195 453853162 /nfs/dbraw/zinc/85/31/62/453853162.db2.gz GQUOTEYZWFZLNC-UHFFFAOYSA-N 0 2 334.372 3.285 10 30 EGEELN N#Cc1cc(S(=O)(=O)Nc2cc(Cl)ccn2)ccc1Cl ZINC000088330311 454099313 /nfs/dbraw/zinc/09/93/13/454099313.db2.gz POTCBUXMWVHLNY-UHFFFAOYSA-N 0 2 328.180 3.061 10 30 EGEELN CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc(CC)s1 ZINC000057125625 454104303 /nfs/dbraw/zinc/10/43/03/454104303.db2.gz YWQFEMDILWPALC-UHFFFAOYSA-N 0 2 336.438 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458586802 /nfs/dbraw/zinc/58/68/02/458586802.db2.gz NAYVQCXTEXFICT-HNNXBMFYSA-N 0 2 340.431 3.012 10 30 EGEELN CC(C)(C#N)c1ccc(S(=O)(=O)Nc2cnoc2C2CC2)cc1 ZINC000593214927 459809978 /nfs/dbraw/zinc/80/99/78/459809978.db2.gz VIBBLEVEHBEEAQ-UHFFFAOYSA-N 0 2 331.397 3.154 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N[C@H](C)C2CCC(F)CC2)cc1C#N ZINC000598366920 459881059 /nfs/dbraw/zinc/88/10/59/459881059.db2.gz ODIFZJIUCLBDFK-GRZMOONWSA-N 0 2 337.420 3.027 10 30 EGEELN Cn1c(C(O)=C(C#N)C(=O)NC2CCCCC2)ccc1-c1ccccc1 ZINC000744027393 576819103 /nfs/dbraw/zinc/81/91/03/576819103.db2.gz SPLHWWJAMVFMGI-KRWDZBQOSA-N 0 2 349.434 3.463 10 30 EGEELN C=CCCc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)o2)cc1 ZINC000886403455 1303458461 /nfs/dbraw/zinc/45/84/61/1303458461.db2.gz AECQGHLGLGCNIV-UHFFFAOYSA-N 0 2 335.429 3.188 10 30 EGEELN C#CC[C@H]1CCN(C(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)C1 ZINC000862575198 1329497533 /nfs/dbraw/zinc/49/75/33/1329497533.db2.gz RVHOXBTYNUFGIG-HNNXBMFYSA-N 0 2 337.423 3.187 10 30 EGEELN 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Cc1cccc2[nH]c([C@@H](C#N)C(=O)Cn3ncc4ccccc43)nc21 ZINC000735789540 575713631 /nfs/dbraw/zinc/71/36/31/575713631.db2.gz MLPBYMGHVZFZGB-AWEZNQCLSA-N 0 2 329.363 3.098 10 30 EGEELN Cc1cccc2nc([C@@H](C#N)C(=O)Cn3ncc4ccccc43)[nH]c21 ZINC000735789540 575713634 /nfs/dbraw/zinc/71/36/34/575713634.db2.gz MLPBYMGHVZFZGB-AWEZNQCLSA-N 0 2 329.363 3.098 10 30 EGEELN C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(CC)s1 ZINC000741660247 576709417 /nfs/dbraw/zinc/70/94/17/576709417.db2.gz POIPZAJFPLJVEL-UHFFFAOYSA-N 0 2 339.413 3.262 10 30 EGEELN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCN1Cc1ncc(Cl)s1 ZINC001323301020 1387327976 /nfs/dbraw/zinc/32/79/76/1387327976.db2.gz DYAFBTBOJDKUPR-ABAIWWIYSA-N 0 2 327.881 3.089 10 30 EGEELN C=CC(C)(C)CCNC(=O)C1=NN(c2ccccc2CC)CC1=O ZINC001148727281 1379254257 /nfs/dbraw/zinc/25/42/57/1379254257.db2.gz MRCHKUIMXLTLSM-UHFFFAOYSA-N 0 2 327.428 3.472 10 30 EGEELN Cc1cc2sc(NC(=O)c3[nH]c(=O)c(C#N)cc3C)nc2cc1F ZINC001297357758 1383150127 /nfs/dbraw/zinc/15/01/27/1383150127.db2.gz 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453962393 /nfs/dbraw/zinc/96/23/93/453962393.db2.gz JBNPAMJSHYDADL-ZDUSSCGKSA-N 0 2 343.383 3.208 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@H](C)c2ccccc2)cc1C#N ZINC000080101994 454533735 /nfs/dbraw/zinc/53/37/35/454533735.db2.gz DWCZWFTYYHQSSF-NWDGAFQWSA-N 0 2 341.436 3.303 10 30 EGEELN CCCOc1ccc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)cc1 ZINC000123178877 454611990 /nfs/dbraw/zinc/61/19/90/454611990.db2.gz YAOVAZPTXHCCCG-UHFFFAOYSA-N 0 2 343.408 3.010 10 30 EGEELN COc1ccccc1N1CC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C1 ZINC000129384268 455109086 /nfs/dbraw/zinc/10/90/86/455109086.db2.gz HPPJXKMOCDFQCB-HIPSJFSSSA-N 0 2 341.367 3.007 10 30 EGEELN Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000190456903 455322146 /nfs/dbraw/zinc/32/21/46/455322146.db2.gz SMWRNHNDGPJLSH-AWEZNQCLSA-N 0 2 346.525 3.339 10 30 EGEELN O=C1C(=NO)c2ccccc2N1CCCOc1ccccc1Cl ZINC000254827100 455856347 /nfs/dbraw/zinc/85/63/47/455856347.db2.gz IGTUTNOTXOYNNK-UHFFFAOYSA-N 0 2 330.771 3.334 10 30 EGEELN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ncc(C(F)(F)F)s1 ZINC000352860044 456370106 /nfs/dbraw/zinc/37/01/06/456370106.db2.gz VYTMDALSHOHZQQ-UHFFFAOYSA-N 0 2 347.343 3.143 10 30 EGEELN C=CCCc1ccccc1NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000337692923 456484175 /nfs/dbraw/zinc/48/41/75/456484175.db2.gz PZVBXHDJOCBLPH-UHFFFAOYSA-N 0 2 335.363 3.401 10 30 EGEELN N#Cc1ccc2[nH+]cc(/C=C\c3nc4ccc(C(=O)[O-])cc4o3)n2c1 ZINC000339116917 456948472 /nfs/dbraw/zinc/94/84/72/456948472.db2.gz QTEOPEAKXUTPFD-UTCJRWHESA-N 0 2 330.303 3.216 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N(CC2CC2)c2ccccc2)cc1C#N ZINC000349758390 457040494 /nfs/dbraw/zinc/04/04/94/457040494.db2.gz MUWFWFTXWBPJBU-UHFFFAOYSA-N 0 2 339.420 3.438 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N(C)c2cc(C)cc(C)c2)cc1C#N ZINC000349836034 457071800 /nfs/dbraw/zinc/07/18/00/457071800.db2.gz GDOXLZUHZJESGM-UHFFFAOYSA-N 0 2 327.409 3.274 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N([C@@H](C)c2ccco2)C2CC2)cc1C#N ZINC000349838219 457072343 /nfs/dbraw/zinc/07/23/43/457072343.db2.gz JPIJNNOSTIDDIH-JTQLQIEISA-N 0 2 343.408 3.340 10 30 EGEELN CC1(C)CCC[C@](O)(CNC(=O)c2cc(F)c(F)c(O)c2F)C1 ZINC000331253688 457154649 /nfs/dbraw/zinc/15/46/49/457154649.db2.gz RWVCEJDRRMWEBV-MRXNPFEDSA-N 0 2 331.334 3.445 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)cc1C#N ZINC000408177588 457562271 /nfs/dbraw/zinc/56/22/71/457562271.db2.gz PXVSECSFHVQWQW-ZKYQVNSYSA-N 0 2 331.441 3.031 10 30 EGEELN C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424263449 458596401 /nfs/dbraw/zinc/59/64/01/458596401.db2.gz HGHDQZAFRNWLIH-DYVFJYSZSA-N 0 2 348.468 3.088 10 30 EGEELN C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424263449 458596403 /nfs/dbraw/zinc/59/64/03/458596403.db2.gz HGHDQZAFRNWLIH-DYVFJYSZSA-N 0 2 348.468 3.088 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)NC[C@H](C)Cc2cccs2)cc1C#N ZINC000439990002 458773672 /nfs/dbraw/zinc/77/36/72/458773672.db2.gz NZZXVVXSNBYARD-SNVBAGLBSA-N 0 2 347.465 3.051 10 30 EGEELN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccn(C4CCCCC4)n3)nc21 ZINC000555434768 458906735 /nfs/dbraw/zinc/90/67/35/458906735.db2.gz GJAKLNVQFKUCAH-AWEZNQCLSA-N 0 2 348.410 3.458 10 30 EGEELN CCc1onc(C)c1NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593211787 459809408 /nfs/dbraw/zinc/80/94/08/459809408.db2.gz ZNHXUOGNBSLZDO-UHFFFAOYSA-N 0 2 333.413 3.147 10 30 EGEELN CN(CC(C)(C)C#N)C(=O)N=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000597022526 459819488 /nfs/dbraw/zinc/81/94/88/459819488.db2.gz VCRCTFNLMNJXNQ-UHFFFAOYSA-N 0 2 349.847 3.294 10 30 EGEELN CC1=NN(c2nc(C(F)(F)F)nc3ccccc32)C(=O)[C@H]1CCC#N ZINC000603923917 460360167 /nfs/dbraw/zinc/36/01/67/460360167.db2.gz RBZKZMGYJFBKID-JTQLQIEISA-N 0 2 347.300 3.291 10 30 EGEELN Cc1[nH]n(-c2nc(C(F)(F)F)nc3ccccc32)c(=O)c1CCC#N ZINC000603923917 460360173 /nfs/dbraw/zinc/36/01/73/460360173.db2.gz RBZKZMGYJFBKID-JTQLQIEISA-N 0 2 347.300 3.291 10 30 EGEELN CCOc1cc(C(O)=C(C#N)C(=O)NC2CCCCC2)ccc1C ZINC000733678804 575381171 /nfs/dbraw/zinc/38/11/71/575381171.db2.gz 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Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccccc3C)c2)c1 ZINC000003373561 210020614 /nfs/dbraw/zinc/02/06/14/210020614.db2.gz NIBPMOJMLCBPMJ-UHFFFAOYSA-N 0 2 344.370 3.263 10 30 EGEELN N#Cc1ccnc(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000530387512 270060262 /nfs/dbraw/zinc/06/02/62/270060262.db2.gz ZYUWJAZZIWJPSR-UHFFFAOYSA-N 0 2 347.399 3.325 10 30 EGEELN N#Cc1ccc(S(=O)(=O)Nc2ccc(C3CCC3)cn2)cc1F ZINC000295239515 268208287 /nfs/dbraw/zinc/20/82/87/268208287.db2.gz UTHMMBWIOXMKCC-UHFFFAOYSA-N 0 2 331.372 3.161 10 30 EGEELN N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)cc1F ZINC000427759845 268259807 /nfs/dbraw/zinc/25/98/07/268259807.db2.gz OJKBPUDTVQRILH-UHFFFAOYSA-N 0 2 346.170 3.200 10 30 EGEELN N#Cc1ccc(S(=O)(=O)Nc2ccc(C3CCC3)cn2)c(F)c1 ZINC000566719561 316516813 /nfs/dbraw/zinc/51/68/13/316516813.db2.gz KCYNMNSKAPUUNU-UHFFFAOYSA-N 0 2 331.372 3.161 10 30 EGEELN N#Cc1ccc(CSCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000183901072 323634696 /nfs/dbraw/zinc/63/46/96/323634696.db2.gz 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336.307 3.031 10 30 EGEELN N#CC[C@H]1CCCN(C(=O)c2cc(Br)c(F)cc2O)C1 ZINC000597900457 460100247 /nfs/dbraw/zinc/10/02/47/460100247.db2.gz OFSXDHOIHFZJIM-SECBINFHSA-N 0 2 341.180 3.060 10 30 EGEELN N#C[C@@H](C(=O)COc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000003263837 526489661 /nfs/dbraw/zinc/48/96/61/526489661.db2.gz ZEXBXSOJOQEMSQ-ZDUSSCGKSA-N 0 2 325.755 3.472 10 30 EGEELN N#CC(C(=O)COc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000003263837 526489672 /nfs/dbraw/zinc/48/96/72/526489672.db2.gz ZEXBXSOJOQEMSQ-ZDUSSCGKSA-N 0 2 325.755 3.472 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2CCCC[C@H]2CC(C)C)cc1C#N ZINC000119331771 546704595 /nfs/dbraw/zinc/70/45/95/546704595.db2.gz GKHNXMHQWGXTOU-ZDUSSCGKSA-N 0 2 333.457 3.009 10 30 EGEELN CCOc1cc2c(cc1C=Cc1n[nH]c(=O)c(C#N)c1C)O[C@H](C)C2 ZINC000096919895 1292955342 /nfs/dbraw/zinc/95/53/42/1292955342.db2.gz FZEFFIBUWWKOPN-ISALQUGTSA-N 0 2 337.379 3.255 10 30 EGEELN C=CC[C@@H]1CCN1C(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O ZINC000890551814 1304813191 /nfs/dbraw/zinc/81/31/91/1304813191.db2.gz DTSVFRFSPLIWLA-OAHLLOKOSA-N 0 2 325.412 3.492 10 30 EGEELN C#CC[C@@H]1CCN(C(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)C1 ZINC000862575200 1329497389 /nfs/dbraw/zinc/49/73/89/1329497389.db2.gz RVHOXBTYNUFGIG-OAHLLOKOSA-N 0 2 337.423 3.187 10 30 EGEELN C#C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(Cl)cc1 ZINC001160815454 1382206771 /nfs/dbraw/zinc/20/67/71/1382206771.db2.gz ABAKZGUVAZOUSL-CQSZACIVSA-N 0 2 330.727 3.058 10 30 EGEELN N#C[C@@H](C(=O)C1CCC(F)(F)CC1)c1nc(N)c2ccccc2n1 ZINC001342582594 1390629149 /nfs/dbraw/zinc/62/91/49/1390629149.db2.gz DDMRGXRNOSFRAN-LBPRGKRZSA-N 0 2 330.338 3.214 10 30 EGEELN CC(C)(C)OC(=O)C1(C(=O)[C@@H](C#N)c2ncc(F)cc2F)CC=CC1 ZINC001344984163 1390828868 /nfs/dbraw/zinc/82/88/68/1390828868.db2.gz PIIIUAAYFNJCNP-LBPRGKRZSA-N 0 2 348.349 3.214 10 30 EGEELN C=CCN(C(=O)c1cc(C(=O)OC(C)(C)C)n[nH]1)c1ccccc1 ZINC001347079567 1390998802 /nfs/dbraw/zinc/99/88/02/1390998802.db2.gz WTSXVTWWEODACS-UHFFFAOYSA-N 0 2 327.384 3.198 10 30 EGEELN C=CCN(C(=O)c1cc(C(=O)OC(C)(C)C)[nH]n1)c1ccccc1 ZINC001347079567 1390998804 /nfs/dbraw/zinc/99/88/04/1390998804.db2.gz WTSXVTWWEODACS-UHFFFAOYSA-N 0 2 327.384 3.198 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)cc1C#N ZINC000456282820 269814755 /nfs/dbraw/zinc/81/47/55/269814755.db2.gz HLIFBMVWGCXONB-UONOGXRCSA-N 0 2 333.457 3.133 10 30 EGEELN N#Cc1ccc(C2(C(=O)N=c3nc(-c4ccccc4)[nH]s3)CC2)cc1 ZINC000444651250 268208390 /nfs/dbraw/zinc/20/83/90/268208390.db2.gz QEIXBUHGXXMBNN-UHFFFAOYSA-N 0 2 346.415 3.169 10 30 EGEELN Cc1cc(N2CCC(Cc3ccccc3C(=O)[O-])CC2)c(C#N)c[nH+]1 ZINC000600676389 460565234 /nfs/dbraw/zinc/56/52/34/460565234.db2.gz UKEKUVBBNROUKM-UHFFFAOYSA-N 0 2 335.407 3.419 10 30 EGEELN C[S@@](=O)c1ccc(C(=O)C(C#N)c2nccc3ccccc32)cc1 ZINC000616724200 460606063 /nfs/dbraw/zinc/60/60/63/460606063.db2.gz QELKIHZXJGQVQC-BXKMTCNYSA-N 0 2 334.400 3.462 10 30 EGEELN Cc1csc([C@H](C#N)C(=O)c2cccc(OCC(F)(F)F)n2)n1 ZINC000076018966 453949935 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N#CCc1ccc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1 ZINC000361227984 457656794 /nfs/dbraw/zinc/65/67/94/457656794.db2.gz NLQCIVNWVCOQNO-UHFFFAOYSA-N 0 2 326.406 3.007 10 30 EGEELN COC(=O)c1[nH]c(C)c(C(=O)C(C#N)c2nccc3ccccc32)c1C ZINC000361542255 457782454 /nfs/dbraw/zinc/78/24/54/457782454.db2.gz XOETYRMGZCKJMV-HNNXBMFYSA-N 0 2 347.374 3.456 10 30 EGEELN CC1(C)CC[C@]([NH2+]Cc2nc(C#N)cs2)(C(=O)[O-])c2ccccc21 ZINC000417576806 458365493 /nfs/dbraw/zinc/36/54/93/458365493.db2.gz HZTZHEQTAOISQH-GOSISDBHSA-N 0 2 341.436 3.156 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)cc1C#N ZINC000517214191 458826197 /nfs/dbraw/zinc/82/61/97/458826197.db2.gz PESVCJXNADNYMX-MQMHXKEQSA-N 0 2 339.420 3.057 10 30 EGEELN C=CCC(CC=C)C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000467534919 458978892 /nfs/dbraw/zinc/97/88/92/458978892.db2.gz DORKLZYGBFFEAU-UHFFFAOYSA-N 0 2 329.425 3.343 10 30 EGEELN N#CCc1ccc(CS(=O)(=O)Nc2nc(C3CC3)cs2)cc1 ZINC000583753226 459591196 /nfs/dbraw/zinc/59/11/96/459591196.db2.gz SDVPQPLBXJSIFX-UHFFFAOYSA-N 0 2 333.438 3.028 10 30 EGEELN N#CC1(CNC(=O)N=c2nc(-c3ccccc3)[nH]s2)CCCCC1 ZINC000596480906 459651604 /nfs/dbraw/zinc/65/16/04/459651604.db2.gz SUMHAQACPXLRKC-UHFFFAOYSA-N 0 2 341.440 3.223 10 30 EGEELN CCOc1ncccc1NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593196029 459803430 /nfs/dbraw/zinc/80/34/30/459803430.db2.gz OOHAQERBKXRSTC-UHFFFAOYSA-N 0 2 345.424 3.082 10 30 EGEELN CCCCc1nnc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)o1 ZINC000593279998 459828296 /nfs/dbraw/zinc/82/82/96/459828296.db2.gz PHINXJSEFRVGPC-UHFFFAOYSA-N 0 2 348.428 3.014 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2CCC[C@H](C3CCC3)C2)cc1C#N ZINC000598400379 459890108 /nfs/dbraw/zinc/89/01/08/459890108.db2.gz NKFBAFQLSIEOQE-LBPRGKRZSA-N 0 2 331.441 3.033 10 30 EGEELN N#Cc1nc(NC(=O)Cc2ccc(C3CCCCC3)cc2)[nH]c1C#N ZINC000598660976 459983169 /nfs/dbraw/zinc/98/31/69/459983169.db2.gz DKECXRMFTJQDOX-UHFFFAOYSA-N 0 2 333.395 3.382 10 30 EGEELN C=CCCC1(CNC(=O)c2cn[nH]c2-c2cnn(C)c2)CCCC1 ZINC000617417730 460856122 /nfs/dbraw/zinc/85/61/22/460856122.db2.gz DCUFFNICROLPHM-UHFFFAOYSA-N 0 2 327.432 3.067 10 30 EGEELN CCCC/N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)cc2)S1 ZINC000005868251 519887058 /nfs/dbraw/zinc/88/70/58/519887058.db2.gz CYGFGYXNJZTYIC-GFCCVEGCSA-N 0 2 339.848 3.056 10 30 EGEELN CCCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S1 ZINC000005868251 519887060 /nfs/dbraw/zinc/88/70/60/519887060.db2.gz CYGFGYXNJZTYIC-GFCCVEGCSA-N 0 2 339.848 3.056 10 30 EGEELN N#Cc1cc(Br)ccc1NS(=O)(=O)C1CCCCC1 ZINC000132544037 1293722648 /nfs/dbraw/zinc/72/26/48/1293722648.db2.gz NNGGFTJNOHSWNW-UHFFFAOYSA-N 0 2 343.246 3.395 10 30 EGEELN C=CCCC[C@@H](C)OC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000860309126 1329303379 /nfs/dbraw/zinc/30/33/79/1329303379.db2.gz OUZWOKFCVORVJI-SNVBAGLBSA-N 0 2 333.306 3.360 10 30 EGEELN CCCCCCCNC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000862354682 1329477329 /nfs/dbraw/zinc/47/73/29/1329477329.db2.gz DMEJXQNGFCDSFO-UHFFFAOYSA-N 0 2 334.338 3.158 10 30 EGEELN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1cccc(C(C)(C)C)c1O ZINC001154783763 1380350322 /nfs/dbraw/zinc/35/03/22/1380350322.db2.gz LGNQTHDKOJCHON-UHFFFAOYSA-N 0 2 325.368 3.223 10 30 EGEELN N#Cc1cccc(-c2n[nH]c(NC(=O)c3conc3C3CCCC3)n2)c1 ZINC001306909322 1383919378 /nfs/dbraw/zinc/91/93/78/1383919378.db2.gz IELNQJYDMLUKJE-UHFFFAOYSA-N 0 2 348.366 3.241 10 30 EGEELN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1C#N ZINC000181146825 455294287 /nfs/dbraw/zinc/29/42/87/455294287.db2.gz KCLLQGUZPJAAIQ-UHFFFAOYSA-N 0 2 331.784 3.193 10 30 EGEELN CCOCc1ccc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)cc1 ZINC000075547314 453903304 /nfs/dbraw/zinc/90/33/04/453903304.db2.gz YWQKANMCGWLFJC-UHFFFAOYSA-N 0 2 343.408 3.170 10 30 EGEELN COc1cccc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)c1O ZINC000078354868 454239012 /nfs/dbraw/zinc/23/90/12/454239012.db2.gz BGGBLKCIIHXOSZ-UHFFFAOYSA-N 0 2 344.758 3.476 10 30 EGEELN Cc1csc([C@@H](C#N)C(=O)c2cnn(CCC(F)(F)F)c2)n1 ZINC000181462432 455339064 /nfs/dbraw/zinc/33/90/64/455339064.db2.gz FFSNTSNCFBTFGN-JTQLQIEISA-N 0 2 328.319 3.091 10 30 EGEELN N#CCCC[C@@H](NC(=O)N=c1ccc(C2CC2)n[nH]1)c1ccccc1 ZINC000433268334 457796014 /nfs/dbraw/zinc/79/60/14/457796014.db2.gz KRYIHKUGYKHGSP-MRXNPFEDSA-N 0 2 335.411 3.333 10 30 EGEELN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc3[nH]ccc3s2)n1 ZINC000361691084 457822812 /nfs/dbraw/zinc/82/28/12/457822812.db2.gz ASUKDLRQMBQUCK-QMMMGPOBSA-N 0 2 345.405 3.353 10 30 EGEELN CCOC(=O)c1csc(C(C#N)C(=O)c2cc3[nH]ccc3s2)n1 ZINC000361691084 457822815 /nfs/dbraw/zinc/82/28/15/457822815.db2.gz ASUKDLRQMBQUCK-QMMMGPOBSA-N 0 2 345.405 3.353 10 30 EGEELN CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435488252 458154834 /nfs/dbraw/zinc/15/48/34/458154834.db2.gz YYHQTPPMROBFSX-UHFFFAOYSA-N 0 2 349.437 3.015 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)Nc2cc(C)c(O)c(C)c2C)cc1C#N ZINC000358711483 458163770 /nfs/dbraw/zinc/16/37/70/458163770.db2.gz HBHAFJVCVLAXIB-UHFFFAOYSA-N 0 2 343.408 3.264 10 30 EGEELN CC(C)[C@H](CCc1ccccc1)C(=O)N=c1[nH][nH]c(C2CC2)c1C#N ZINC000451694982 458485621 /nfs/dbraw/zinc/48/56/21/458485621.db2.gz CTRCSASLQFIMEJ-INIZCTEOSA-N 0 2 336.439 3.424 10 30 EGEELN N#Cc1c(Cl)cccc1S(=O)(=O)Nc1cncc2c1CCCC2 ZINC000594726521 459142952 /nfs/dbraw/zinc/14/29/52/459142952.db2.gz OOPUSNMYEWHKGL-UHFFFAOYSA-N 0 2 347.827 3.286 10 30 EGEELN Cc1cccc2nc([C@H](C#N)C(=O)c3cc(-c4ccoc4)[nH]n3)[nH]c21 ZINC000522830735 459265815 /nfs/dbraw/zinc/26/58/15/459265815.db2.gz UHVXZEJNRPCXMN-GFCCVEGCSA-N 0 2 331.335 3.345 10 30 EGEELN Cc1cc(NS(=O)(=O)c2ccccc2C(C)C)n(CCC#N)n1 ZINC000526050860 459538750 /nfs/dbraw/zinc/53/87/50/459538750.db2.gz GOGQLNVISDKSDM-UHFFFAOYSA-N 0 2 332.429 3.029 10 30 EGEELN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC[C@@](C)(C#N)C3)=N2)cc1 ZINC000598409339 459892874 /nfs/dbraw/zinc/89/28/74/459892874.db2.gz GCGQRKQEMNLGAT-IBGZPJMESA-N 0 2 338.411 3.077 10 30 EGEELN C[C@@]1(C#N)CCN(C(=O)c2cc(Br)cc(Cl)c2O)C1 ZINC000598774019 460030152 /nfs/dbraw/zinc/03/01/52/460030152.db2.gz AWHORBBKJQYQLP-ZDUSSCGKSA-N 0 2 343.608 3.184 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]2c2cccc(F)c2)cc1C#N ZINC000610358725 460133289 /nfs/dbraw/zinc/13/32/89/460133289.db2.gz HZDAMWKCPLPCQX-CQSZACIVSA-N 0 2 343.383 3.107 10 30 EGEELN CCOC(=O)c1csc([C@H](C#N)C(=O)C=Cc2ccsc2)n1 ZINC000920328546 1322163855 /nfs/dbraw/zinc/16/38/55/1322163855.db2.gz ZRZADYGOPVMOBE-DLRQAJBASA-N 0 2 332.406 3.271 10 30 EGEELN C=CCC[C@@H](OC(=O)c1ccc(CNC(=O)C(F)(F)F)o1)C1CC1 ZINC000860622224 1329337306 /nfs/dbraw/zinc/33/73/06/1329337306.db2.gz VXONTGDDALQUEF-GFCCVEGCSA-N 0 2 345.317 3.360 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)CCC2CCCCC2)cc1C#N ZINC000115717468 152028579 /nfs/dbraw/zinc/02/85/79/152028579.db2.gz JLKRZKGVVSSCFV-LBPRGKRZSA-N 0 2 347.484 3.447 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)Nc2ccc(C3CCC3)cn2)cc1C#N ZINC000570841689 317116200 /nfs/dbraw/zinc/11/62/00/317116200.db2.gz DTPOODAADZEUJM-UHFFFAOYSA-N 0 2 340.408 3.296 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)NCC2(C3CCC3)CCC2)cc1C#N ZINC000581987351 325404435 /nfs/dbraw/zinc/40/44/35/325404435.db2.gz GDRBJSGGMDHGSM-UHFFFAOYSA-N 0 2 331.441 3.081 10 30 EGEELN Cc1cc(F)ccc1S(=O)(=O)Nc1ncccc1OCCCC#N ZINC000069677670 454132456 /nfs/dbraw/zinc/13/24/56/454132456.db2.gz IMGLLCIFYMAMEP-UHFFFAOYSA-N 0 2 349.387 3.013 10 30 EGEELN CCN(C(=O)c1cc(C#N)c(SC)[nH]c1=O)c1ccc(F)cc1 ZINC000097046530 454394610 /nfs/dbraw/zinc/39/46/10/454394610.db2.gz MLKJYYMQGCMYMV-UHFFFAOYSA-N 0 2 331.372 3.187 10 30 EGEELN Cc1nc(NC(=O)c2c(O)cc(F)cc2F)sc1SCC#N ZINC000066046788 454654777 /nfs/dbraw/zinc/65/47/77/454654777.db2.gz OKNGHSWRVXMZKB-UHFFFAOYSA-N 0 2 341.364 3.303 10 30 EGEELN N#Cc1cccc(S(=O)(=O)Nc2ccnn2C2CCCCC2)c1 ZINC000066241896 454670321 /nfs/dbraw/zinc/67/03/21/454670321.db2.gz UKOVNTWWZLMITG-UHFFFAOYSA-N 0 2 330.413 3.061 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N(C)C2CCC(C)(C)CC2)cc1C#N ZINC000153288083 454778280 /nfs/dbraw/zinc/77/82/80/454778280.db2.gz PSYWDNOAFNRYEP-UHFFFAOYSA-N 0 2 333.457 3.009 10 30 EGEELN N#C[C@H](C(=O)c1cnn2c1CCCC2)c1nc(-c2ccncc2)cs1 ZINC000125668008 454838484 /nfs/dbraw/zinc/83/84/84/454838484.db2.gz RLUNRIXATYNUNH-CYBMUJFWSA-N 0 2 349.419 3.228 10 30 EGEELN C=C(CNC(=O)N=c1ncn(C2CCCCC2)[nH]1)c1ccccc1 ZINC000350631790 457195038 /nfs/dbraw/zinc/19/50/38/457195038.db2.gz JGHZDXQLXSJYFM-UHFFFAOYSA-N 0 2 325.416 3.040 10 30 EGEELN N#C[C@H](C(=O)c1cn2ccnc2s1)c1cc(C(F)(F)F)ccn1 ZINC000362137241 458033017 /nfs/dbraw/zinc/03/30/17/458033017.db2.gz ZYDMUOWGAOTZKO-VIFPVBQESA-N 0 2 336.298 3.300 10 30 EGEELN CSc1cccc(C(O)=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000453629324 458538779 /nfs/dbraw/zinc/53/87/79/458538779.db2.gz XJTBBEADASPNJS-AWEZNQCLSA-N 0 2 326.425 3.216 10 30 EGEELN N#Cc1ccc(S(=O)(=O)Nc2cccc(C3CCOCC3)c2)s1 ZINC000530145949 458696061 /nfs/dbraw/zinc/69/60/61/458696061.db2.gz VLOHEJCIOISZIY-UHFFFAOYSA-N 0 2 348.449 3.315 10 30 EGEELN Cc1cc(NS(=O)(=O)c2ccccc2CC#N)nn1[C@H](C)C1CC1 ZINC000530284558 458741495 /nfs/dbraw/zinc/74/14/95/458741495.db2.gz RWSOTHPIZNYOOP-CYBMUJFWSA-N 0 2 344.440 3.029 10 30 EGEELN CC(C)Oc1ccc(F)cc1NS(=O)(=O)c1ccccc1CC#N ZINC000475822184 458966674 /nfs/dbraw/zinc/96/66/74/458966674.db2.gz SVEJURPXFFPPID-UHFFFAOYSA-N 0 2 348.399 3.480 10 30 EGEELN CC(C)(C)c1cc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)[nH]n1 ZINC000593205923 459807430 /nfs/dbraw/zinc/80/74/30/459807430.db2.gz CQTFBXZRLQKJHB-UHFFFAOYSA-N 0 2 346.456 3.309 10 30 EGEELN CC(C)(C)c1cc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000593205923 459807434 /nfs/dbraw/zinc/80/74/34/459807434.db2.gz CQTFBXZRLQKJHB-UHFFFAOYSA-N 0 2 346.456 3.309 10 30 EGEELN CC1(c2nc(=NC(=O)C[C@H](CC#N)c3ccccc3)s[nH]2)CC1 ZINC000600228246 460451100 /nfs/dbraw/zinc/45/11/00/460451100.db2.gz TXVAUMRKWYCQQE-ZDUSSCGKSA-N 0 2 326.425 3.038 10 30 EGEELN CCOC(=O)C(=NNc1ncnc2ccccc21)c1ccc(C)cc1 ZINC000006550417 520397773 /nfs/dbraw/zinc/39/77/73/520397773.db2.gz NODKTAFDLVLLRV-XLNRJJMWSA-N 0 2 334.379 3.318 10 30 EGEELN N#C[C@H](C(=O)c1coc(Br)c1)c1cnc2ccccc2n1 ZINC000190979655 547177908 /nfs/dbraw/zinc/17/79/08/547177908.db2.gz QFVYBQGWUJRTPG-JTQLQIEISA-N 0 2 342.152 3.475 10 30 EGEELN COCc1cncc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000684675830 550354292 /nfs/dbraw/zinc/35/42/92/550354292.db2.gz PGQDRSVBMZLPAZ-ZDUSSCGKSA-N 0 2 329.425 3.472 10 30 EGEELN N#Cc1ccc(Br)cc1NS(=O)(=O)C1CCCC1 ZINC000225281018 1296136003 /nfs/dbraw/zinc/13/60/03/1296136003.db2.gz KUECIGBFPGHHIJ-UHFFFAOYSA-N 0 2 329.219 3.005 10 30 EGEELN C=CCCc1ccc(S(=O)(=O)Nc2nnc(C3CC3)s2)cc1 ZINC000886397437 1303456451 /nfs/dbraw/zinc/45/64/51/1303456451.db2.gz INHLARGBJNCULF-UHFFFAOYSA-N 0 2 335.454 3.335 10 30 EGEELN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN1Cc1ncc(Cl)s1 ZINC001323301021 1387328646 /nfs/dbraw/zinc/32/86/46/1387328646.db2.gz DYAFBTBOJDKUPR-IAQYHMDHSA-N 0 2 327.881 3.089 10 30 EGEELN C=C(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N1CCCC[C@H]1CC ZINC001122490797 1372258663 /nfs/dbraw/zinc/25/86/63/1372258663.db2.gz UTOPSRHNDXIWPH-LLVKDONJSA-N 0 2 335.843 3.062 10 30 EGEELN Cc1ncc(S(=O)(=O)Nc2csc3ccccc23)cc1C#N ZINC000427323399 268087784 /nfs/dbraw/zinc/08/77/84/268087784.db2.gz IJZYDZONEADCQZ-UHFFFAOYSA-N 0 2 329.406 3.277 10 30 EGEELN CCC[C@@H]1CCCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000084740739 454008227 /nfs/dbraw/zinc/00/82/27/454008227.db2.gz ZCRONHKZRWHIFE-GFCCVEGCSA-N 0 2 333.457 3.423 10 30 EGEELN N#Cc1nc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)[nH]c1C#N ZINC000107761835 454772609 /nfs/dbraw/zinc/77/26/09/454772609.db2.gz FSEVHFDNCJUTMJ-CABCVRRESA-N 0 2 327.347 3.048 10 30 EGEELN Cc1csc(C(C#N)C(=O)c2cnc(-c3ccncc3)s2)n1 ZINC000179088120 455006541 /nfs/dbraw/zinc/00/65/41/455006541.db2.gz UUVNIQAPRYRWSQ-NSHDSACASA-N 0 2 326.406 3.460 10 30 EGEELN Cc1csc([C@@H](C#N)C(=O)c2cnc(-c3ccncc3)s2)n1 ZINC000179088120 455006544 /nfs/dbraw/zinc/00/65/44/455006544.db2.gz UUVNIQAPRYRWSQ-NSHDSACASA-N 0 2 326.406 3.460 10 30 EGEELN Cc1csc([C@@H](C#N)C(=O)c2ccn(-c3c(F)cccc3F)n2)n1 ZINC000175083086 455422656 /nfs/dbraw/zinc/42/26/56/455422656.db2.gz MIGHVAYDVJMKEU-JTQLQIEISA-N 0 2 344.346 3.406 10 30 EGEELN Cc1csc(C(C#N)C(=O)c2ccn(-c3c(F)cccc3F)n2)n1 ZINC000175083086 455422660 /nfs/dbraw/zinc/42/26/60/455422660.db2.gz MIGHVAYDVJMKEU-JTQLQIEISA-N 0 2 344.346 3.406 10 30 EGEELN N#CCN(C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)C1CCCC1 ZINC000194166165 455810854 /nfs/dbraw/zinc/81/08/54/455810854.db2.gz GTUDNIPVBHQFMU-UHFFFAOYSA-N 0 2 344.802 3.140 10 30 EGEELN N#CCCN(CC1CC1)C(=O)c1cc(Br)c(F)cc1O ZINC000294418016 455815127 /nfs/dbraw/zinc/81/51/27/455815127.db2.gz BBOAKAIIBJCQMG-UHFFFAOYSA-N 0 2 341.180 3.060 10 30 EGEELN C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000195289527 455940984 /nfs/dbraw/zinc/94/09/84/455940984.db2.gz OEYRHVLOLAVLET-SFHVURJKSA-N 0 2 338.430 3.046 10 30 EGEELN N#Cc1ccc(CN(C(=O)c2c(O)cc(F)cc2F)C2CC2)cc1 ZINC000195296587 455942152 /nfs/dbraw/zinc/94/21/52/455942152.db2.gz IBFGSWHNDKSCJE-UHFFFAOYSA-N 0 2 328.318 3.347 10 30 EGEELN N#Cc1ccc2[nH+]cc(/C=C/c3nc4c(cccc4C(=O)[O-])o3)n2c1 ZINC000339118529 456949048 /nfs/dbraw/zinc/94/90/48/456949048.db2.gz MYOWNCVAULVZEQ-FNORWQNLSA-N 0 2 330.303 3.216 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)Nc2cccc3ncccc32)cc1C#N ZINC000349797940 457055215 /nfs/dbraw/zinc/05/52/15/457055215.db2.gz CTRZVIQZIGYDIC-UHFFFAOYSA-N 0 2 336.376 3.181 10 30 EGEELN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000330733351 457079480 /nfs/dbraw/zinc/07/94/80/457079480.db2.gz KSGJQSYUFDVKGB-IAQYHMDHSA-N 0 2 336.388 3.446 10 30 EGEELN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(C)c(CC)o2)n1 ZINC000351973176 457325983 /nfs/dbraw/zinc/32/59/83/457325983.db2.gz BCJHXHKHXOAGEP-JTQLQIEISA-N 0 2 332.381 3.274 10 30 EGEELN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(C)c(CC)o2)n1 ZINC000351973176 457325989 /nfs/dbraw/zinc/32/59/89/457325989.db2.gz BCJHXHKHXOAGEP-JTQLQIEISA-N 0 2 332.381 3.274 10 30 EGEELN CCOc1cccc(Cn2[nH]c(C(C)(C)C)c(CCC#N)c2=O)n1 ZINC000342495548 457334464 /nfs/dbraw/zinc/33/44/64/457334464.db2.gz TVRPOBFPHMUMIS-UHFFFAOYSA-N 0 2 328.416 3.184 10 30 EGEELN COC(C)(C)c1nc(C)c(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)s1 ZINC000355100312 457341903 /nfs/dbraw/zinc/34/19/03/457341903.db2.gz OEJJGVRLNDLVGC-LBPRGKRZSA-N 0 2 344.440 3.230 10 30 EGEELN COC(C)(C)c1nc(C)c(C(=O)C(C#N)c2cc(C)nc(C)n2)s1 ZINC000355100312 457341909 /nfs/dbraw/zinc/34/19/09/457341909.db2.gz OEJJGVRLNDLVGC-LBPRGKRZSA-N 0 2 344.440 3.230 10 30 EGEELN CC(C)[C@@H]1C[C@@]([NH2+]Cc2nc(C#N)cs2)(C(=O)[O-])c2ccccc21 ZINC000417576882 458365784 /nfs/dbraw/zinc/36/57/84/458365784.db2.gz ILCXKQVDPQYWDP-KSSFIOAISA-N 0 2 341.436 3.228 10 30 EGEELN C[C@@]1(C#N)CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C1 ZINC000596838303 459775243 /nfs/dbraw/zinc/77/52/43/459775243.db2.gz WSHABVLFUCYVAT-HNNXBMFYSA-N 0 2 347.831 3.048 10 30 EGEELN COc1cc(C)cc(NS(=O)(=O)c2ccc(C#N)cc2F)c1C ZINC000618635219 460095514 /nfs/dbraw/zinc/09/55/14/460095514.db2.gz IXVZYKNTKAKRRG-UHFFFAOYSA-N 0 2 334.372 3.124 10 30 EGEELN Cn1c(C(O)=C(C#N)C(=O)NC2CCCCC2)ccc1-c1ccccc1 ZINC000744027394 576819122 /nfs/dbraw/zinc/81/91/22/576819122.db2.gz SPLHWWJAMVFMGI-QGZVFWFLSA-N 0 2 349.434 3.463 10 30 EGEELN C=CC[C@@H]1CCN(C(=O)c2cc(Br)cc(F)c2O)C1 ZINC000869391884 1330480398 /nfs/dbraw/zinc/48/03/98/1330480398.db2.gz HMCLUBNCRSSFFU-SECBINFHSA-N 0 2 328.181 3.332 10 30 EGEELN C=CCC1(C(=O)NC[C@@H]2CCN2Cc2ccc(OC)c(C)c2)CCC1 ZINC001323301844 1387328412 /nfs/dbraw/zinc/32/84/12/1387328412.db2.gz LMRJEBHXMJFYSZ-SFHVURJKSA-N 0 2 342.483 3.441 10 30 EGEELN CCC(=CC(=O)N(C)C1CN(Cc2ccc(C#N)c(F)c2)C1)CC ZINC001323909639 1387494614 /nfs/dbraw/zinc/49/46/14/1387494614.db2.gz FSKUBBKVYNSUBX-UHFFFAOYSA-N 0 2 329.419 3.086 10 30 EGEELN N#Cc1ccc(Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)nc1 ZINC001187234127 1388078538 /nfs/dbraw/zinc/07/85/38/1388078538.db2.gz SMMCPTLZRHWXOR-UHFFFAOYSA-N 0 2 338.264 3.014 10 30 EGEELN C=CCCONC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC001149445614 1379384424 /nfs/dbraw/zinc/38/44/24/1379384424.db2.gz PWUSBXLOODDRIB-UHFFFAOYSA-N 0 2 339.804 3.106 10 30 EGEELN Cc1cccc2c1[nH]cc(C(=O)N(C)Cc1cc(C#N)cs1)c2=O ZINC001161861093 1382534012 /nfs/dbraw/zinc/53/40/12/1382534012.db2.gz MWLCYSUVLWPEQN-UHFFFAOYSA-N 0 2 337.404 3.042 10 30 EGEELN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001340733789 1390355417 /nfs/dbraw/zinc/35/54/17/1390355417.db2.gz TXCZGQYWCYKYAD-LLVKDONJSA-N 0 2 343.822 3.100 10 30 EGEELN Cc1nc(CC2CC2)sc1C(=O)[C@@H](C#N)c1ncc(Cl)n1C ZINC001344322448 1390782054 /nfs/dbraw/zinc/78/20/54/1390782054.db2.gz OXFOVHUZAQERQD-SNVBAGLBSA-N 0 2 334.832 3.281 10 30 EGEELN N#Cc1ccsc1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000118493682 152141629 /nfs/dbraw/zinc/14/16/29/152141629.db2.gz VRYXLRGUBAHKFQ-UHFFFAOYSA-N 0 2 329.772 3.311 10 30 EGEELN Cc1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)nn1C(C)C ZINC000421176404 270048594 /nfs/dbraw/zinc/04/85/94/270048594.db2.gz RYUCMDZBNXUSQU-UHFFFAOYSA-N 0 2 338.820 3.098 10 30 EGEELN CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570335836 317040983 /nfs/dbraw/zinc/04/09/83/317040983.db2.gz NHBCHQMFAUNDMQ-UHFFFAOYSA-N 0 2 341.415 3.138 10 30 EGEELN COc1ccc(O)c(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)c1 ZINC000078354833 454238460 /nfs/dbraw/zinc/23/84/60/454238460.db2.gz KSPOTZRCUSIIOW-UHFFFAOYSA-N 0 2 344.758 3.476 10 30 EGEELN Cc1ncc(-c2ccc(S(=O)(=O)Nc3cccc(C#N)c3)s2)o1 ZINC000065003890 454522974 /nfs/dbraw/zinc/52/29/74/454522974.db2.gz IARNFZDIMNMRMS-UHFFFAOYSA-N 0 2 345.405 3.384 10 30 EGEELN CC(=O)c1ccc(C#N)cc1NCc1nnc(COc2ccccc2)[nH]1 ZINC000302261127 456329235 /nfs/dbraw/zinc/32/92/35/456329235.db2.gz PPACOGUFXHKXOQ-UHFFFAOYSA-N 0 2 347.378 3.070 10 30 EGEELN Cc1c(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)nn2c1OCCC2 ZINC000651584826 462270258 /nfs/dbraw/zinc/27/02/58/462270258.db2.gz NITTUVKVJMWIFM-AWEZNQCLSA-N 0 2 332.363 3.012 10 30 EGEELN Cc1c(C(=O)C(C#N)c2ccc3ccccc3n2)nn2c1OCCC2 ZINC000651584826 462270265 /nfs/dbraw/zinc/27/02/65/462270265.db2.gz NITTUVKVJMWIFM-AWEZNQCLSA-N 0 2 332.363 3.012 10 30 EGEELN COc1cc2c(cc1C(=O)[C@H](C#N)c1nc3ccccc3o1)OCO2 ZINC000354368520 457187028 /nfs/dbraw/zinc/18/70/28/457187028.db2.gz ZFHWZISBXGIOJI-NSHDSACASA-N 0 2 336.303 3.055 10 30 EGEELN CC(C)(CCC#N)CNC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000376601723 458350503 /nfs/dbraw/zinc/35/05/03/458350503.db2.gz HPXYGESMUFRLQL-UHFFFAOYSA-N 0 2 335.458 3.140 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)Nc2ccc3ccn(C)c3c2)cc1C#N ZINC000439093962 458651918 /nfs/dbraw/zinc/65/19/18/458651918.db2.gz AOMJPEDILOMTGT-UHFFFAOYSA-N 0 2 338.392 3.125 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCCC(C)(C)C2)cc1C#N ZINC000456922381 458818302 /nfs/dbraw/zinc/81/83/02/458818302.db2.gz QCZFNGHGWYETMW-NSHDSACASA-N 0 2 333.457 3.327 10 30 EGEELN N#Cc1sccc1S(=O)(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000593204618 459807791 /nfs/dbraw/zinc/80/77/91/459807791.db2.gz AIKAQBIIBSERMX-UHFFFAOYSA-N 0 2 349.437 3.137 10 30 EGEELN CC[C@@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)C1CCCCC1 ZINC000608783934 459882769 /nfs/dbraw/zinc/88/27/69/459882769.db2.gz BGGFEBNRSQUIQF-CQSZACIVSA-N 0 2 333.457 3.469 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)C2CCCCC2)cc1C#N ZINC000598439863 459899545 /nfs/dbraw/zinc/89/95/45/459899545.db2.gz YRHLNPTXIGDDSS-LLVKDONJSA-N 0 2 333.457 3.327 10 30 EGEELN N#C[C@H](C(=O)COc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000004312212 526504812 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C=C(C)CONC(=O)CSc1nccn1-c1ccc(C)c(C)c1 ZINC001144639663 1378753408 /nfs/dbraw/zinc/75/34/08/1378753408.db2.gz ABAKPQBYGYNRJI-UHFFFAOYSA-N 0 2 331.441 3.205 10 30 EGEELN CCOc1ccc(C(=O)C(C#N)c2cccc(F)n2)cc1[N+](=O)[O-] ZINC001344586551 1390801402 /nfs/dbraw/zinc/80/14/02/1390801402.db2.gz JKDJQSSBULNSOX-LLVKDONJSA-N 0 2 329.287 3.018 10 30 EGEELN CCOc1ccc(C(=O)[C@H](C#N)c2cccc(F)n2)cc1[N+](=O)[O-] ZINC001344586551 1390801403 /nfs/dbraw/zinc/80/14/03/1390801403.db2.gz JKDJQSSBULNSOX-LLVKDONJSA-N 0 2 329.287 3.018 10 30 EGEELN N#CC(C(=O)c1cnn(CC2CCCC2)c1)c1ncc(F)cc1F ZINC001350353959 1391452440 /nfs/dbraw/zinc/45/24/40/1391452440.db2.gz PKBBVODHVIQVPI-AWEZNQCLSA-N 0 2 330.338 3.237 10 30 EGEELN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)[C@H](C#N)c1ncc(F)cc1F ZINC001350354427 1391452555 /nfs/dbraw/zinc/45/25/55/1391452555.db2.gz QTORZAUCNHJWHJ-MEDUHNTESA-N 0 2 342.345 3.492 10 30 EGEELN CC(C)[C@@H](C(=O)N=c1[nH][nH]c(C2CC2)c1C#N)c1ccc(F)cc1 ZINC000359720399 167213557 /nfs/dbraw/zinc/21/35/57/167213557.db2.gz VOPFUWKCPKHFGW-OAHLLOKOSA-N 0 2 326.375 3.098 10 30 EGEELN CC[C@@H](C)[C@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)C(F)(F)F ZINC000444547508 270052317 /nfs/dbraw/zinc/05/23/17/270052317.db2.gz NBFLATLTCGFILT-XCBNKYQSSA-N 0 2 347.362 3.088 10 30 EGEELN Cc1ncc(S(=O)(=O)Nc2ccc(CCC(C)C)cn2)cc1C#N ZINC000451102290 268086163 /nfs/dbraw/zinc/08/61/63/268086163.db2.gz CFXYJGIDZBFMFZ-UHFFFAOYSA-N 0 2 344.440 3.046 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N(C)c2ccc(C)c(Cl)c2)cc1C#N ZINC000095993687 454255354 /nfs/dbraw/zinc/25/53/54/454255354.db2.gz FELWPIXUOHEPLI-UHFFFAOYSA-N 0 2 347.827 3.207 10 30 EGEELN CC(C)c1csc(NS(=O)(=O)c2cccc(Cl)c2C#N)n1 ZINC000073314057 454420029 /nfs/dbraw/zinc/42/00/29/454420029.db2.gz CPNFIHPCJFETLL-UHFFFAOYSA-N 0 2 341.845 3.014 10 30 EGEELN CC(C)(C)c1[nH]n(Cc2ccc3c(c2)OCCO3)c(=O)c1CCC#N ZINC000153533572 454803305 /nfs/dbraw/zinc/80/33/05/454803305.db2.gz HJBWEUCCOMDLQM-UHFFFAOYSA-N 0 2 341.411 3.162 10 30 EGEELN Cc1csc(C(C#N)C(=O)c2cnc(-c3ccncc3)s2)n1 ZINC000179088133 455006559 /nfs/dbraw/zinc/00/65/59/455006559.db2.gz UUVNIQAPRYRWSQ-LLVKDONJSA-N 0 2 326.406 3.460 10 30 EGEELN Cc1csc([C@H](C#N)C(=O)c2cnc(-c3ccncc3)s2)n1 ZINC000179088133 455006565 /nfs/dbraw/zinc/00/65/65/455006565.db2.gz UUVNIQAPRYRWSQ-LLVKDONJSA-N 0 2 326.406 3.460 10 30 EGEELN CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC000330205656 457002034 /nfs/dbraw/zinc/00/20/34/457002034.db2.gz DOMXUVKJICLMOK-LZLYRXPVSA-N 0 2 348.491 3.058 10 30 EGEELN CO[C@@H](C)c1nc(C)c(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)s1 ZINC000429343170 458319992 /nfs/dbraw/zinc/31/99/92/458319992.db2.gz BWJZQRGIGOUHFN-JQWIXIFHSA-N 0 2 330.413 3.056 10 30 EGEELN CO[C@@H](C)c1nc(C)c(C(=O)C(C#N)c2cc(C)nc(C)n2)s1 ZINC000429343170 458319994 /nfs/dbraw/zinc/31/99/94/458319994.db2.gz BWJZQRGIGOUHFN-JQWIXIFHSA-N 0 2 330.413 3.056 10 30 EGEELN N#Cc1sccc1S(=O)(=O)Nc1ccccc1N1CCCCC1 ZINC000593188914 459801098 /nfs/dbraw/zinc/80/10/98/459801098.db2.gz SBSSCARSPNUJNS-UHFFFAOYSA-N 0 2 347.465 3.411 10 30 EGEELN CC(C)OCc1ccc(NS(=O)(=O)c2ccsc2C#N)cc1 ZINC000593194548 459802730 /nfs/dbraw/zinc/80/27/30/459802730.db2.gz JPTHCNMRJAJERN-UHFFFAOYSA-N 0 2 336.438 3.346 10 30 EGEELN CC(C)COc1cccc(NS(=O)(=O)c2ccsc2C#N)c1 ZINC000593193977 459802905 /nfs/dbraw/zinc/80/29/05/459802905.db2.gz CSXKRIQBGLVNIS-UHFFFAOYSA-N 0 2 336.438 3.455 10 30 EGEELN CC(C)CCc1cc(NS(=O)(=O)Cc2ccc(CC#N)cc2)n[nH]1 ZINC000566229145 459826465 /nfs/dbraw/zinc/82/64/65/459826465.db2.gz ISIZFUBXZHDBIS-UHFFFAOYSA-N 0 2 346.456 3.006 10 30 EGEELN CCCCc1cc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)[nH]n1 ZINC000593275187 459826644 /nfs/dbraw/zinc/82/66/44/459826644.db2.gz FUHCSHDUMGXUHX-UHFFFAOYSA-N 0 2 346.456 3.354 10 30 EGEELN CCN(C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O)[C@H](C)C#N ZINC000598358753 459878031 /nfs/dbraw/zinc/87/80/31/459878031.db2.gz KLOYPJPSSGSTQI-CYBMUJFWSA-N 0 2 326.400 3.075 10 30 EGEELN CCCN(Cc1nc(C#N)cs1)Cc1nc(=O)c2sccc2[nH]1 ZINC001323968133 1387501773 /nfs/dbraw/zinc/50/17/73/1387501773.db2.gz TYGGXWUSHCXLPY-UHFFFAOYSA-N 0 2 345.453 3.137 10 30 EGEELN C#Cc1ccc(CNC(=O)c2cc(Br)c(F)cc2O)cc1 ZINC001298092954 1383356592 /nfs/dbraw/zinc/35/65/92/1383356592.db2.gz MSAICWRWUKJGNM-UHFFFAOYSA-N 0 2 348.171 3.205 10 30 EGEELN CC(C)[C@H]1C[C@]([NH2+]Cc2nc(C#N)cs2)(C(=O)[O-])c2ccccc21 ZINC000417576883 270048244 /nfs/dbraw/zinc/04/82/44/270048244.db2.gz ILCXKQVDPQYWDP-RDTXWAMCSA-N 0 2 341.436 3.228 10 30 EGEELN CCCOc1cc(C)ccc1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427101314 267027897 /nfs/dbraw/zinc/02/78/97/267027897.db2.gz OXAPTEOWEDIHPL-UHFFFAOYSA-N 0 2 345.424 3.160 10 30 EGEELN Cc1ncc(S(=O)(=O)Nc2ccccc2OC(C)(C)C)cc1C#N ZINC000427201078 268087546 /nfs/dbraw/zinc/08/75/46/268087546.db2.gz WKOVGIGBPAVQSM-UHFFFAOYSA-N 0 2 345.424 3.240 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)NCC2CCC(C)(C)CC2)cc1C#N ZINC000089921037 454235136 /nfs/dbraw/zinc/23/51/36/454235136.db2.gz RYIZCOOANLCXHE-UHFFFAOYSA-N 0 2 333.457 3.327 10 30 EGEELN 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460134338 /nfs/dbraw/zinc/13/43/38/460134338.db2.gz GIPHTAFVEZTZSS-GHMZBOCLSA-N 0 2 333.457 3.183 10 30 EGEELN Cc1cccc2[nH]c([C@H](C#N)C(=O)[C@H](C)Oc3ccccc3C#N)nc21 ZINC000735788037 575712893 /nfs/dbraw/zinc/71/28/93/575712893.db2.gz BKBQBKANKQFORZ-DZGCQCFKSA-N 0 2 344.374 3.387 10 30 EGEELN Cc1cccc2nc([C@H](C#N)C(=O)[C@H](C)Oc3ccccc3C#N)[nH]c21 ZINC000735788037 575712897 /nfs/dbraw/zinc/71/28/97/575712897.db2.gz BKBQBKANKQFORZ-DZGCQCFKSA-N 0 2 344.374 3.387 10 30 EGEELN Cc1cccc2[nH]c([C@H](C#N)C(=O)Cn3ncc4ccccc43)nc21 ZINC000735789542 575713722 /nfs/dbraw/zinc/71/37/22/575713722.db2.gz MLPBYMGHVZFZGB-CQSZACIVSA-N 0 2 329.363 3.098 10 30 EGEELN Cc1cccc2nc([C@H](C#N)C(=O)Cn3ncc4ccccc43)[nH]c21 ZINC000735789542 575713724 /nfs/dbraw/zinc/71/37/24/575713724.db2.gz MLPBYMGHVZFZGB-CQSZACIVSA-N 0 2 329.363 3.098 10 30 EGEELN C/C(=C/C(=O)Nc1nc(C#N)c(C#N)[nH]1)c1ccccc1C(F)(F)F ZINC000743305239 576805321 /nfs/dbraw/zinc/80/53/21/576805321.db2.gz XEWILHQQKKWURR-TWGQIWQCSA-N 0 2 345.284 3.214 10 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KKQSZUUWUFYAAJ-UHFFFAOYSA-N 0 2 342.483 3.018 10 30 EGEELN C=CCCn1cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)nn1 ZINC001137949279 1377651792 /nfs/dbraw/zinc/65/17/92/1377651792.db2.gz JXDRRDHHIHVWLO-UHFFFAOYSA-N 0 2 327.171 3.119 10 30 EGEELN N#Cc1ccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2O)nc1 ZINC001151050196 1379654079 /nfs/dbraw/zinc/65/40/79/1379654079.db2.gz OBHZZQMXDQAFIN-UHFFFAOYSA-N 0 2 337.166 3.016 10 30 EGEELN C#C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(Cl)cc1 ZINC001160815453 1382206713 /nfs/dbraw/zinc/20/67/13/1382206713.db2.gz ABAKZGUVAZOUSL-AWEZNQCLSA-N 0 2 330.727 3.058 10 30 EGEELN O=C(C(F)C(F)(F)F)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC001328795072 1388865818 /nfs/dbraw/zinc/86/58/18/1388865818.db2.gz DQGPSGNVEWKDJK-POYBYMJQSA-N 0 2 345.218 3.059 10 30 EGEELN O=C([C@@H](F)C(F)(F)F)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC001328795072 1388865823 /nfs/dbraw/zinc/86/58/23/1388865823.db2.gz DQGPSGNVEWKDJK-POYBYMJQSA-N 0 2 345.218 3.059 10 30 EGEELN Cn1c(Cl)cnc1C(C#N)C(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001346087621 1390906289 /nfs/dbraw/zinc/90/62/89/1390906289.db2.gz JREWHAVLDSYILW-ILXRZTDVSA-N 0 2 343.814 3.040 10 30 EGEELN Cn1c(Cl)cnc1[C@@H](C#N)C(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001346087621 1390906290 /nfs/dbraw/zinc/90/62/90/1390906290.db2.gz JREWHAVLDSYILW-ILXRZTDVSA-N 0 2 343.814 3.040 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N[C@H](C)CCC2CCCCC2)cc1C#N ZINC000115717470 152027495 /nfs/dbraw/zinc/02/74/95/152027495.db2.gz JLKRZKGVVSSCFV-GFCCVEGCSA-N 0 2 347.484 3.447 10 30 EGEELN CSc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)nc1 ZINC000116603553 152069073 /nfs/dbraw/zinc/06/90/73/152069073.db2.gz GBSMVDPDHABFSP-UHFFFAOYSA-N 0 2 339.829 3.129 10 30 EGEELN Cc1cc(S(=O)(=O)Nc2ccccc2O[C@H](C)C#N)c(C)s1 ZINC000183127790 455234250 /nfs/dbraw/zinc/23/42/50/455234250.db2.gz OSAODRKYBHNHIV-SNVBAGLBSA-N 0 2 336.438 3.457 10 30 EGEELN CO[C@H](C)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000158122530 455271010 /nfs/dbraw/zinc/27/10/10/455271010.db2.gz RQWDIQDMZHTSIE-LLVKDONJSA-N 0 2 334.372 3.206 10 30 EGEELN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(-c4cccnc4)on3)n2)o1 ZINC000095418909 454207468 /nfs/dbraw/zinc/20/74/68/454207468.db2.gz DDKVSILCDGBFQI-UHFFFAOYSA-N 0 2 336.311 3.059 10 30 EGEELN Cn1cnc2c1nccc2C(=O)C(C#N)c1nccc2ccccc21 ZINC000347857349 456408672 /nfs/dbraw/zinc/40/86/72/456408672.db2.gz WWMJOPVTJUXOMN-HNNXBMFYSA-N 0 2 327.347 3.007 10 30 EGEELN Cc1ccc2c(n1)[nH]cc(C(=O)N[C@H](C)c1ccc(C#N)cc1)c2=O ZINC000339051640 456916634 /nfs/dbraw/zinc/91/66/34/456916634.db2.gz SCZKHMRLUSRPIG-GFCCVEGCSA-N 0 2 332.363 3.007 10 30 EGEELN N#Cc1ccc2[nH+]cc(/C=C/c3nc4ccc(C(=O)[O-])cc4o3)n2c1 ZINC000339116918 456948152 /nfs/dbraw/zinc/94/81/52/456948152.db2.gz QTEOPEAKXUTPFD-ZZXKWVIFSA-N 0 2 330.303 3.216 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2Cc3ccccc3[C@@H]2C)cc1C#N ZINC000341921547 457003790 /nfs/dbraw/zinc/00/37/90/457003790.db2.gz FYHJKPLRBZBQJL-JTQLQIEISA-N 0 2 325.393 3.098 10 30 EGEELN CC[C@H](C)[C@H](C)N(C(=O)c1cc(C#N)c(SC)[nH]c1=O)C1CC1 ZINC000349845604 457076059 /nfs/dbraw/zinc/07/60/59/457076059.db2.gz HTXDXWFLVWNYQK-QWRGUYRKSA-N 0 2 333.457 3.420 10 30 EGEELN C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cnn(C)c1C ZINC000427771466 458032937 /nfs/dbraw/zinc/03/29/37/458032937.db2.gz PXPWHMSJKOQZJO-UHFFFAOYSA-N 0 2 333.457 3.381 10 30 EGEELN C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424263447 458595556 /nfs/dbraw/zinc/59/55/56/458595556.db2.gz HGHDQZAFRNWLIH-CXAGYDPISA-N 0 2 348.468 3.088 10 30 EGEELN C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424263447 458595560 /nfs/dbraw/zinc/59/55/60/458595560.db2.gz HGHDQZAFRNWLIH-CXAGYDPISA-N 0 2 348.468 3.088 10 30 EGEELN Cc1ccsc1-c1nc(=NC(=O)N2CCC(CC#N)CC2)s[nH]1 ZINC000546745007 458671367 /nfs/dbraw/zinc/67/13/67/458671367.db2.gz XJJWCSAJUKOQBI-UHFFFAOYSA-N 0 2 347.469 3.155 10 30 EGEELN N#CCc1ccc(CS(=O)(=O)Nc2nc(C3CCC3)cs2)cc1 ZINC000570682500 459559965 /nfs/dbraw/zinc/55/99/65/459559965.db2.gz HPBRAGBFRHZADP-UHFFFAOYSA-N 0 2 347.465 3.419 10 30 EGEELN N#Cc1cc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)ccc1Cl ZINC000543482460 459663344 /nfs/dbraw/zinc/66/33/44/459663344.db2.gz DEXRFNPMAGLHJA-UHFFFAOYSA-N 0 2 346.824 3.466 10 30 EGEELN CCN(CCC#N)C(=O)N=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000597021385 459819651 /nfs/dbraw/zinc/81/96/51/459819651.db2.gz QDMFAYAHBXEZQZ-UHFFFAOYSA-N 0 2 335.820 3.048 10 30 EGEELN CSc1cc(NS(=O)(=O)c2cccc(Cl)c2C#N)ccn1 ZINC000611231430 460313122 /nfs/dbraw/zinc/31/31/22/460313122.db2.gz GGTORKOMPDHUEE-UHFFFAOYSA-N 0 2 339.829 3.129 10 30 EGEELN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)[C@H](c1cccnc1)C1CCCCC1 ZINC000601738272 460886270 /nfs/dbraw/zinc/88/62/70/460886270.db2.gz RKLKFWRIBPNAKK-KRWDZBQOSA-N 0 2 349.438 3.278 10 30 EGEELN CN(C(=O)c1cc(Br)c(F)cc1O)[C@H]1CCC[C@H]1C#N ZINC000601798761 460902635 /nfs/dbraw/zinc/90/26/35/460902635.db2.gz BKSBDVUPXDCCSG-UFBFGSQYSA-N 0 2 341.180 3.058 10 30 EGEELN N#Cc1sccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC000650206590 461639806 /nfs/dbraw/zinc/63/98/06/461639806.db2.gz CLGAVDDVZTUEFN-UHFFFAOYSA-N 0 2 346.433 3.330 10 30 EGEELN CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H](C)Cc2ccccc2)n1 ZINC000732595843 575279002 /nfs/dbraw/zinc/27/90/02/575279002.db2.gz BHQOITQBTJQTPA-GXTWGEPZSA-N 0 2 342.420 3.375 10 30 EGEELN CCOC(=O)c1csc(C(C#N)C(=O)[C@@H](C)Cc2ccccc2)n1 ZINC000732595843 575279004 /nfs/dbraw/zinc/27/90/04/575279004.db2.gz BHQOITQBTJQTPA-GXTWGEPZSA-N 0 2 342.420 3.375 10 30 EGEELN COc1ccccc1[C@]1(C)C[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000741465905 576688464 /nfs/dbraw/zinc/68/84/64/576688464.db2.gz ZHVXMTNNGHPGAS-RIYWLQNKSA-N 0 2 326.352 3.458 10 30 EGEELN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000122515782 1293415214 /nfs/dbraw/zinc/41/52/14/1293415214.db2.gz HRFNLALQOWVPRF-KZNAEPCWSA-N 0 2 343.386 3.269 10 30 EGEELN O=C(C(F)C(F)(F)F)N1CCc2c(cccc2C(F)(F)F)C1 ZINC000862953951 1329519840 /nfs/dbraw/zinc/51/98/40/1329519840.db2.gz LIXYXZCDNLUAHG-JTQLQIEISA-N 0 2 329.215 3.491 10 30 EGEELN O=C([C@H](F)C(F)(F)F)N1CCc2c(cccc2C(F)(F)F)C1 ZINC000862953951 1329519841 /nfs/dbraw/zinc/51/98/41/1329519841.db2.gz LIXYXZCDNLUAHG-JTQLQIEISA-N 0 2 329.215 3.491 10 30 EGEELN CC(C)c1n[nH]cc1NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC001329644563 1389197035 /nfs/dbraw/zinc/19/70/35/1389197035.db2.gz WQZKJZZUFBQWEG-UHFFFAOYSA-N 0 2 332.429 3.135 10 30 EGEELN C=C(C)CCC(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001337330127 1389307079 /nfs/dbraw/zinc/30/70/79/1389307079.db2.gz YEPFHXTWGRHDSD-UHFFFAOYSA-N 0 2 332.297 3.299 10 30 EGEELN C=CCCCNC(=O)N(CCC)Cc1nc(=O)c2sccc2[nH]1 ZINC001339536753 1390059470 /nfs/dbraw/zinc/05/94/70/1390059470.db2.gz MNMLAGBDTZLAJE-UHFFFAOYSA-N 0 2 334.445 3.285 10 30 EGEELN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)s2)on1 ZINC000009228234 211054480 /nfs/dbraw/zinc/05/44/80/211054480.db2.gz YJPNOQGGJJHKFW-UHFFFAOYSA-N 0 2 345.405 3.384 10 30 EGEELN Cc1ccc(-c2nc(C(=O)N=c3[nH][nH]c(C4CC4)c3C#N)cs2)cc1 ZINC000359720650 167214436 /nfs/dbraw/zinc/21/44/36/167214436.db2.gz CSCKKAKAIMXIFS-UHFFFAOYSA-N 0 2 349.419 3.265 10 30 EGEELN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc3c2OCCC3)c1 ZINC000479524675 270055770 /nfs/dbraw/zinc/05/57/70/270055770.db2.gz ILWUCXAUGVGYJY-UHFFFAOYSA-N 0 2 348.811 3.337 10 30 EGEELN C/C=C/C[C@H]1CCCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000600805010 460611302 /nfs/dbraw/zinc/61/13/02/460611302.db2.gz OTMPXRKJDLQTTM-PCAWENJQSA-N 0 2 331.441 3.199 10 30 EGEELN COc1ccc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2O)c(OC)c1 ZINC000036011483 453925539 /nfs/dbraw/zinc/92/55/39/453925539.db2.gz YQDXQSSJZWTDSH-XVNBXDOJSA-N 0 2 329.308 3.214 10 30 EGEELN N#CCSCCC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000120249469 454278416 /nfs/dbraw/zinc/27/84/16/454278416.db2.gz NZMZJZDTFMQFMV-OAHLLOKOSA-N 0 2 327.457 3.255 10 30 EGEELN COc1csc(C(=O)[C@H](C#N)c2nnc(-c3ccccc3)n2C)c1 ZINC000078975527 454347395 /nfs/dbraw/zinc/34/73/95/454347395.db2.gz FYBFRPVCYIBWSJ-ZDUSSCGKSA-N 0 2 338.392 3.042 10 30 EGEELN N#Cc1nc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)[nH]c1C#N ZINC000107761830 454772565 /nfs/dbraw/zinc/77/25/65/454772565.db2.gz FSEVHFDNCJUTMJ-GJZGRUSLSA-N 0 2 327.347 3.048 10 30 EGEELN N#C[C@@H](NC(=O)[C@H](F)C(F)(F)F)c1ccc(Br)cc1 ZINC000292784712 455756746 /nfs/dbraw/zinc/75/67/46/455756746.db2.gz MCHBLSMKAOFQFI-BDAKNGLRSA-N 0 2 339.086 3.030 10 30 EGEELN N#C[C@@H](NC(=O)C(F)C(F)(F)F)c1ccc(Br)cc1 ZINC000292784712 455756752 /nfs/dbraw/zinc/75/67/52/455756752.db2.gz MCHBLSMKAOFQFI-BDAKNGLRSA-N 0 2 339.086 3.030 10 30 EGEELN CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000343158824 456442062 /nfs/dbraw/zinc/44/20/62/456442062.db2.gz IZWYJHLEFSSBRL-GFCCVEGCSA-N 0 2 339.351 3.395 10 30 EGEELN C=CCC1(CNC(=O)c2cc(C#N)c(SC)[nH]c2=O)CCCC1 ZINC000456489317 458692758 /nfs/dbraw/zinc/69/27/58/458692758.db2.gz SZSOOEPTSIZMCN-UHFFFAOYSA-N 0 2 331.441 3.247 10 30 EGEELN CC(C)Cn1cc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cn1 ZINC000593207026 459808546 /nfs/dbraw/zinc/80/85/46/459808546.db2.gz WFCUKMKXAXXJNP-UHFFFAOYSA-N 0 2 346.456 3.141 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)NCC2C[C@@H](C)C[C@H](C)C2)cc1C#N ZINC000597978183 460134800 /nfs/dbraw/zinc/13/48/00/460134800.db2.gz GIPHTAFVEZTZSS-QWRGUYRKSA-N 0 2 333.457 3.183 10 30 EGEELN CN(C(=O)c1cc(Br)c(F)cc1O)[C@@H]1CCC[C@@H]1C#N ZINC000601798758 460902563 /nfs/dbraw/zinc/90/25/63/460902563.db2.gz BKSBDVUPXDCCSG-PRHODGIISA-N 0 2 341.180 3.058 10 30 EGEELN C=CCCc1ccc(S(=O)(=O)Nc2cc(C)nn2CCC#N)cc1 ZINC000882691031 1302059627 /nfs/dbraw/zinc/05/96/27/1302059627.db2.gz NZXAWIKHHGZGAF-UHFFFAOYSA-N 0 2 344.440 3.025 10 30 EGEELN C=CCCc1ccc(S(=O)(=O)Nc2nnc([C@H]3C[C@H]3C)o2)cc1 ZINC000886420033 1303461897 /nfs/dbraw/zinc/46/18/97/1303461897.db2.gz UGOWELQZLJXIFS-RISCZKNCSA-N 0 2 333.413 3.112 10 30 EGEELN C=CCCCCCN(C)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000859519318 1329006215 /nfs/dbraw/zinc/00/62/15/1329006215.db2.gz LSOBQEJQFSMDSW-UHFFFAOYSA-N 0 2 346.349 3.277 10 30 EGEELN O=C(C(F)C(F)(F)F)N1CCc2c(cccc2C(F)(F)F)C1 ZINC000862953952 1329519832 /nfs/dbraw/zinc/51/98/32/1329519832.db2.gz LIXYXZCDNLUAHG-SNVBAGLBSA-N 0 2 329.215 3.491 10 30 EGEELN O=C([C@@H](F)C(F)(F)F)N1CCc2c(cccc2C(F)(F)F)C1 ZINC000862953952 1329519833 /nfs/dbraw/zinc/51/98/33/1329519833.db2.gz LIXYXZCDNLUAHG-SNVBAGLBSA-N 0 2 329.215 3.491 10 30 EGEELN Cc1ccccc1CO[C@H](C)C(=O)[C@H](C#N)c1ncc(F)cc1F ZINC001123475617 1372482466 /nfs/dbraw/zinc/48/24/66/1372482466.db2.gz FWGMJWSQNWWHPT-IUODEOHRSA-N 0 2 330.334 3.450 10 30 EGEELN CC(C)(NC(=O)C1=NN(c2ccccc2)CC1=O)c1cccc(C#N)c1 ZINC001166446545 1383423605 /nfs/dbraw/zinc/42/36/05/1383423605.db2.gz YCTMOTIUYASLDS-UHFFFAOYSA-N 0 2 346.390 3.115 10 30 EGEELN N#CC[C@@H](NC(=O)C(F)(F)c1ccc(Cl)cc1)C(F)(F)F ZINC001334438981 1390538536 /nfs/dbraw/zinc/53/85/36/1390538536.db2.gz GUDZPBWOZOMIHF-SECBINFHSA-N 0 2 326.652 3.393 10 30 EGEELN Cc1c(NC(=O)C(O)=CC(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000101355159 219123795 /nfs/dbraw/zinc/12/37/95/219123795.db2.gz CZNCJKFYQTYNDR-SXGWCWSVSA-N 0 2 344.298 3.306 10 30 EGEELN Cc1ccc(C#N)cc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000442814309 270052109 /nfs/dbraw/zinc/05/21/09/270052109.db2.gz 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457357975 /nfs/dbraw/zinc/35/79/75/457357975.db2.gz AGKKHLYAZWQKQU-UHFFFAOYSA-N 0 2 341.845 3.340 10 30 EGEELN C=CCC1(C(=O)N=c2nc(-c3sccc3C)[nH]s2)CCOCC1 ZINC000425261017 457474628 /nfs/dbraw/zinc/47/46/28/457474628.db2.gz YEWOMVUWVIVONG-UHFFFAOYSA-N 0 2 349.481 3.308 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)cc1C#N ZINC000412829336 458285188 /nfs/dbraw/zinc/28/51/88/458285188.db2.gz UHOXUQZFZKFSDV-STQMWFEESA-N 0 2 333.457 3.325 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2CCC[C@]2(C)CC(C)C)cc1C#N ZINC000452506618 458500649 /nfs/dbraw/zinc/50/06/49/458500649.db2.gz DYPDUKMQRMKVES-QGZVFWFLSA-N 0 2 333.457 3.422 10 30 EGEELN C=C(C)[C@H](CC(=O)N=c1nc(-c2sccc2C)[nH]s1)OCC ZINC000472253801 458778065 /nfs/dbraw/zinc/77/80/65/458778065.db2.gz ANEHNKPLUNBAEU-NSHDSACASA-N 0 2 337.470 3.307 10 30 EGEELN CCCc1csc(NS(=O)(=O)Cc2ccc(CC#N)cc2)n1 ZINC000572364126 459579131 /nfs/dbraw/zinc/57/91/31/459579131.db2.gz UNWSQQGQAFAAMD-UHFFFAOYSA-N 0 2 335.454 3.104 10 30 EGEELN CCc1noc(C)c1NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593211035 459809307 /nfs/dbraw/zinc/80/93/07/459809307.db2.gz NZBNYLNOGAKSCX-UHFFFAOYSA-N 0 2 333.413 3.147 10 30 EGEELN COc1cccc(-c2nc(=NC(=O)CCCCCC#N)s[nH]2)c1 ZINC000588345782 459948705 /nfs/dbraw/zinc/94/87/05/459948705.db2.gz HMRPXCZYIFLDBG-UHFFFAOYSA-N 0 2 330.413 3.048 10 30 EGEELN N#Cc1ccccc1S(=O)(=O)Nc1cncc(-c2ccccc2)c1 ZINC000074789247 1292365506 /nfs/dbraw/zinc/36/55/06/1292365506.db2.gz YMOJPGLKUVNWCO-UHFFFAOYSA-N 0 2 335.388 3.421 10 30 EGEELN CC[C@@H](C)c1nc(C)c(CC(=O)NOc2cccc(C#N)c2)c(C)n1 ZINC000870689727 1296022338 /nfs/dbraw/zinc/02/23/38/1296022338.db2.gz ALAGDAOJYNTLLM-GFCCVEGCSA-N 0 2 338.411 3.131 10 30 EGEELN Cc1ccc(S(=O)(=O)NN=CC2Sc3ccccc3C2=O)cc1 ZINC000886012594 1303318523 /nfs/dbraw/zinc/31/85/23/1303318523.db2.gz OPGUMVZQQFUIGK-UHFFFAOYSA-N 0 2 346.433 3.228 10 30 EGEELN Cc1ccc(C)c(NC(=O)CC2S/C(=N/CCC3CC3)NC2=O)c1 ZINC000864344586 1329608675 /nfs/dbraw/zinc/60/86/75/1329608675.db2.gz 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Cc1ccnc(NS(=O)(=O)c2cc(F)cc(C#N)c2)c1C1CC1 ZINC000872006623 1296648215 /nfs/dbraw/zinc/64/82/15/1296648215.db2.gz MRODPUBFZKFZCL-UHFFFAOYSA-N 0 2 331.372 3.079 10 30 EGEELN C=C(C)CC[C@@H](C)OC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000860855148 1329363473 /nfs/dbraw/zinc/36/34/73/1329363473.db2.gz SETIEBBLSTXXLI-SNVBAGLBSA-N 0 2 333.306 3.360 10 30 EGEELN O=C(C(F)C(F)(F)F)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC001328795074 1388865717 /nfs/dbraw/zinc/86/57/17/1388865717.db2.gz DQGPSGNVEWKDJK-XPUUQOCRSA-N 0 2 345.218 3.059 10 30 EGEELN O=C([C@H](F)C(F)(F)F)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC001328795074 1388865720 /nfs/dbraw/zinc/86/57/20/1388865720.db2.gz DQGPSGNVEWKDJK-XPUUQOCRSA-N 0 2 345.218 3.059 10 30 EGEELN C[C@@]1(C(=O)C(C#N)c2ncc(F)cc2F)OCCc2ccccc21 ZINC001346764793 1390978146 /nfs/dbraw/zinc/97/81/46/1390978146.db2.gz RIHMZGSWWVAORJ-FZKQIMNGSA-N 0 2 328.318 3.024 10 30 EGEELN Cc1ncc(S(=O)(=O)Nc2ccccc2OCC(C)C)cc1C#N ZINC000427116555 268087516 /nfs/dbraw/zinc/08/75/16/268087516.db2.gz 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COCc1cncc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000680932195 549930381 /nfs/dbraw/zinc/93/03/81/549930381.db2.gz MXSNHLVEXOMJRZ-ZDUSSCGKSA-N 0 2 341.367 3.467 10 30 EGEELN CCCCc1nc(C)c(CC(=O)NOc2cccc(C#N)c2)s1 ZINC000913666789 1319092474 /nfs/dbraw/zinc/09/24/74/1319092474.db2.gz KWVQMDWQNYKUIB-UHFFFAOYSA-N 0 2 329.425 3.319 10 30 EGEELN CCCN(Cc1nc(=O)c2sccc2[nH]1)Cc1ccncc1C#N ZINC001118194859 1371143466 /nfs/dbraw/zinc/14/34/66/1371143466.db2.gz DHIUXQDQOGXMPO-UHFFFAOYSA-N 0 2 339.424 3.076 10 30 EGEELN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1n[nH]c2cc(O)ccc12 ZINC001159056314 1381547346 /nfs/dbraw/zinc/54/73/46/1381547346.db2.gz QKYMLYJIYNNBOY-UHFFFAOYSA-N 0 2 347.334 3.085 10 30 EGEELN CC(C)C[C@H](C#N)NC(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC001292532431 1382202207 /nfs/dbraw/zinc/20/22/07/1382202207.db2.gz SRSRCUUBFWEJCD-OAHLLOKOSA-N 0 2 340.427 3.369 10 30 EGEELN CC(C)C[C@@H](C#N)NC(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC001292532424 1382202293 /nfs/dbraw/zinc/20/22/93/1382202293.db2.gz 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459807280 /nfs/dbraw/zinc/80/72/80/459807280.db2.gz CRIFZTVUEOHIOS-UHFFFAOYSA-N 0 2 345.424 3.001 10 30 EGEELN CCc1csc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000593277265 459827346 /nfs/dbraw/zinc/82/73/46/459827346.db2.gz PTKSCWBTPBLODE-UHFFFAOYSA-N 0 2 335.454 3.307 10 30 EGEELN Cc1ccc2c(n1)[nH]cc(C(=O)N[C@H](C)c1cccc(C#N)c1)c2=O ZINC000610366733 460136504 /nfs/dbraw/zinc/13/65/04/460136504.db2.gz UCPGQEGIFJHCJE-GFCCVEGCSA-N 0 2 332.363 3.007 10 30 EGEELN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000613158971 460845806 /nfs/dbraw/zinc/84/58/06/460845806.db2.gz KSAOPAAVSSLSEL-GFCCVEGCSA-N 0 2 331.199 3.108 10 30 EGEELN CC(C)(C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1cc(F)cc(C#N)c1 ZINC000354618004 534375830 /nfs/dbraw/zinc/37/58/30/534375830.db2.gz TVFPQMPUXGQMGC-UHFFFAOYSA-N 0 2 343.314 3.227 10 30 EGEELN Cc1nnc(NN=Cc2ccc(-c3cccc(F)c3C)o2)[nH]c1=O ZINC000734294582 575462945 /nfs/dbraw/zinc/46/29/45/575462945.db2.gz AYCXZMTYLBHGGE-UHFFFAOYSA-N 0 2 327.319 3.039 10 30 EGEELN N#Cc1cc(F)cc(S(=O)(=O)Nc2ccc(C3CCC3)cn2)c1 ZINC000872004308 1296644155 /nfs/dbraw/zinc/64/41/55/1296644155.db2.gz CVEDKZZWWTVYIA-UHFFFAOYSA-N 0 2 331.372 3.161 10 30 EGEELN C=CCCc1ccc(S(=O)(=O)Nc2nnc([C@@H]3C[C@@H]3C)o2)cc1 ZINC000886420034 1303462266 /nfs/dbraw/zinc/46/22/66/1303462266.db2.gz UGOWELQZLJXIFS-SMDDNHRTSA-N 0 2 333.413 3.112 10 30 EGEELN O=S(=O)(Nc1nccs1)c1ccc(N=NC[C@@H]2CC23CC3)cc1 ZINC000863100604 1329528545 /nfs/dbraw/zinc/52/85/45/1329528545.db2.gz TZCNNDCPXYUIBB-NSHDSACASA-N 0 2 348.453 3.142 10 30 EGEELN C[C@@]1(NC(=O)C(F)(F)F)CCN(c2cccc(C(F)F)c2C#N)C1 ZINC000866283912 1330090610 /nfs/dbraw/zinc/09/06/10/1330090610.db2.gz FREBHXVWYNATQH-CQSZACIVSA-N 0 2 347.287 3.143 10 30 EGEELN C#C[C@@H](NC(=O)C1=NN(c2ccccc2CC)CC1=O)c1ccccc1 ZINC001143136159 1378545130 /nfs/dbraw/zinc/54/51/30/1378545130.db2.gz NDRLBALKYHPJSY-QGZVFWFLSA-N 0 2 345.402 3.245 10 30 EGEELN C#C[C@H](NC(=O)C1=NN(c2ccccc2CC)CC1=O)c1ccccc1 ZINC001143136158 1378545296 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1296508898 /nfs/dbraw/zinc/50/88/98/1296508898.db2.gz IKNQDNIBJSEPKD-UHFFFAOYSA-N 0 2 328.416 3.257 10 30 EGEELN C#CC[C@H]1CCN(C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)C1 ZINC000862568958 1329496943 /nfs/dbraw/zinc/49/69/43/1329496943.db2.gz KKOXJXWHOXATMA-HNNXBMFYSA-N 0 2 337.423 3.187 10 30 EGEELN O=C(c1ccc([N+](=O)[O-])cc1O)N(O)CCCCc1ccccc1 ZINC001161818630 1382519286 /nfs/dbraw/zinc/51/92/86/1382519286.db2.gz CXOHHHPGJRSSMX-UHFFFAOYSA-N 0 2 330.340 3.155 10 30 EGEELN CC(C)[C@@H](C(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1ncc(F)cc1F ZINC001344983768 1390828791 /nfs/dbraw/zinc/82/87/91/1390828791.db2.gz MGZCPWVPKXBZKX-WCQYABFASA-N 0 2 338.354 3.150 10 30 EGEELN CCCCOc1ccccc1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427140539 269647417 /nfs/dbraw/zinc/64/74/17/269647417.db2.gz SBVPSWYOSCALAF-UHFFFAOYSA-N 0 2 345.424 3.241 10 30 EGEELN CC1(C)CCC[C@@](O)(CNC(=O)c2cc(F)c(F)c(O)c2F)C1 ZINC000331253687 457154930 /nfs/dbraw/zinc/15/49/30/457154930.db2.gz RWVCEJDRRMWEBV-INIZCTEOSA-N 0 2 331.334 3.445 10 30 EGEELN 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457921426 /nfs/dbraw/zinc/92/14/26/457921426.db2.gz ZXBIOPBHMSQKDY-UHFFFAOYSA-N 0 2 343.408 3.259 10 30 EGEELN COCc1nc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)co1 ZINC000547809702 458798505 /nfs/dbraw/zinc/79/85/05/458798505.db2.gz XGACWFZECIWVHG-SECBINFHSA-N 0 2 346.293 3.056 10 30 EGEELN C=CCn1c(Cc2ccsc2)n[n-]c1=[NH+]c1cccc(OC)c1 ZINC000583053331 459472481 /nfs/dbraw/zinc/47/24/81/459472481.db2.gz WPILAMJGPDQTQK-UHFFFAOYSA-N 0 2 326.425 3.291 10 30 EGEELN Cc1nc(C)c(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)s1 ZINC000593206649 459807260 /nfs/dbraw/zinc/80/72/60/459807260.db2.gz LKPMCGDSUKLGAW-UHFFFAOYSA-N 0 2 335.454 3.362 10 30 EGEELN N#CC1(CC(=O)Nc2cc(Cl)cc(Cl)c2O)CCOCC1 ZINC000597460520 459962195 /nfs/dbraw/zinc/96/21/95/459962195.db2.gz TZZBSDGZSUBVJI-UHFFFAOYSA-N 0 2 329.183 3.348 10 30 EGEELN N#Cc1cccc(ONC(=O)C2(Cc3ccccc3)CCOCC2)c1 ZINC000870690207 1296022434 /nfs/dbraw/zinc/02/24/34/1296022434.db2.gz KIOOGKQTIYIUIL-UHFFFAOYSA-N 0 2 336.391 3.008 10 30 EGEELN CCCCc1ccc(N=C2SC(CC(=O)NC)C(=O)N2CC)cc1 ZINC000255293003 1296514849 /nfs/dbraw/zinc/51/48/49/1296514849.db2.gz BDPBDZPDXWKXDF-HNNXBMFYSA-N 0 2 347.484 3.117 10 30 EGEELN CCCCc1ccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CC)cc1 ZINC000255293003 1296514859 /nfs/dbraw/zinc/51/48/59/1296514859.db2.gz BDPBDZPDXWKXDF-HNNXBMFYSA-N 0 2 347.484 3.117 10 30 EGEELN C=CCCc1ccc(S(=O)(=O)Nc2cnn(C)c2C(F)F)cc1 ZINC000882710330 1302072448 /nfs/dbraw/zinc/07/24/48/1302072448.db2.gz WIMYZPLEXSRKSL-UHFFFAOYSA-N 0 2 341.383 3.277 10 30 EGEELN C[C@H](C(=O)NC[C@H]1CCN1Cc1ccc(C#N)s1)c1ccsc1 ZINC001323301393 1387328740 /nfs/dbraw/zinc/32/87/40/1387328740.db2.gz HTRFRXOHTUKWGD-GXTWGEPZSA-N 0 2 345.493 3.175 10 30 EGEELN C#CCCCCC(=O)N(C)C1CN([C@H]2CCc3c2cccc3F)C1 ZINC001323910649 1387494599 /nfs/dbraw/zinc/49/45/99/1387494599.db2.gz VIGUSQGDWLQELJ-IBGZPJMESA-N 0 2 328.431 3.149 10 30 EGEELN Cc1ncc(-c2ccc(NC(=O)c3[nH]c(=O)c(C#N)cc3C)cc2)o1 ZINC001136131788 1377356699 /nfs/dbraw/zinc/35/66/99/1377356699.db2.gz MZJSVIAQNJZNJU-UHFFFAOYSA-N 0 2 334.335 3.183 10 30 EGEELN CCOc1ccc(C(=O)C(C#N)c2cccc(F)n2)cc1[N+](=O)[O-] ZINC001344586552 1390801352 /nfs/dbraw/zinc/80/13/52/1390801352.db2.gz JKDJQSSBULNSOX-NSHDSACASA-N 0 2 329.287 3.018 10 30 EGEELN CCOc1ccc(C(=O)[C@@H](C#N)c2cccc(F)n2)cc1[N+](=O)[O-] ZINC001344586552 1390801354 /nfs/dbraw/zinc/80/13/54/1390801354.db2.gz JKDJQSSBULNSOX-NSHDSACASA-N 0 2 329.287 3.018 10 30 EGEELN C=CCCCN(CC)c1nnc(-c2c[nH]n(CC)c2=O)n1CC1CC1 ZINC001350462442 1391467678 /nfs/dbraw/zinc/46/76/78/1391467678.db2.gz XTEXNXXCAYMDTO-UHFFFAOYSA-N 0 2 344.463 3.070 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2CCCc3cc(C)ccc32)cc1C#N ZINC000097232743 295688173 /nfs/dbraw/zinc/68/81/73/295688173.db2.gz SJVDJRNFZJZKLB-UHFFFAOYSA-N 0 2 339.420 3.282 10 30 EGEELN N#Cc1ccc(Cl)cc1NS(=O)(=O)CCCC(F)(F)F ZINC000213772994 241097547 /nfs/dbraw/zinc/09/75/47/241097547.db2.gz RICPRWMJLHLBQY-UHFFFAOYSA-N 0 2 326.727 3.296 10 30 EGEELN Cc1cc(-c2ccc(S(=O)(=O)Nc3cccc(C#N)c3)s2)n[nH]1 ZINC000009686533 211113911 /nfs/dbraw/zinc/11/39/11/211113911.db2.gz BGXRSHHFDGWFIH-UHFFFAOYSA-N 0 2 344.421 3.119 10 30 EGEELN Cc1csc([C@H](C#N)C(=O)C(C)(C)c2ccc3c(c2)OCCO3)n1 ZINC000069709739 454136252 /nfs/dbraw/zinc/13/62/52/454136252.db2.gz ITPAVORADSTHAK-CYBMUJFWSA-N 0 2 342.420 3.377 10 30 EGEELN Cc1csc(C(C#N)C(=O)C(C)(C)c2ccc3c(c2)OCCO3)n1 ZINC000069709739 454136257 /nfs/dbraw/zinc/13/62/57/454136257.db2.gz ITPAVORADSTHAK-CYBMUJFWSA-N 0 2 342.420 3.377 10 30 EGEELN N#C[C@H](C(=O)c1cc2cc(F)ccc2o1)c1nnc2n1CCCCC2 ZINC000097103746 454407097 /nfs/dbraw/zinc/40/70/97/454407097.db2.gz SACQLBUNXMCGGC-CYBMUJFWSA-N 0 2 338.342 3.380 10 30 EGEELN N#C[C@@H](C(=O)c1cncnc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000355233099 457350071 /nfs/dbraw/zinc/35/00/71/457350071.db2.gz RXARRWNOGNFHEH-JTQLQIEISA-N 0 2 342.330 3.368 10 30 EGEELN N#CC(C(=O)c1cncnc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000355233099 457350077 /nfs/dbraw/zinc/35/00/77/457350077.db2.gz RXARRWNOGNFHEH-JTQLQIEISA-N 0 2 342.330 3.368 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N(C)Cc2cc(C)cc(C)c2)cc1C#N ZINC000434342760 457980740 /nfs/dbraw/zinc/98/07/40/457980740.db2.gz CVKKYDZYVPMZFG-UHFFFAOYSA-N 0 2 341.436 3.270 10 30 EGEELN N#Cc1cccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)n[nH]3)on2)c1 ZINC000448262036 458399368 /nfs/dbraw/zinc/39/93/68/458399368.db2.gz UFLWKPIJHGLTQK-UHFFFAOYSA-N 0 2 347.256 3.207 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)cc1C#N ZINC000456997426 458834593 /nfs/dbraw/zinc/83/45/93/458834593.db2.gz IVGMTPHNUQEXAL-SRVKXCTJSA-N 0 2 333.457 3.325 10 30 EGEELN C=C[C@H]1CCCCN1C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000488560146 459547344 /nfs/dbraw/zinc/54/73/44/459547344.db2.gz COFNILBDHGGYHV-ZDUSSCGKSA-N 0 2 344.440 3.208 10 30 EGEELN C=CCCCS(=O)(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000489803931 459571557 /nfs/dbraw/zinc/57/15/57/459571557.db2.gz NBDXFIHRZJDJQB-GFCCVEGCSA-N 0 2 325.327 3.157 10 30 EGEELN N#CC1(CNC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)CCCC1 ZINC000593775860 459981629 /nfs/dbraw/zinc/98/16/29/459981629.db2.gz QUHNKUQJFUTSKU-UHFFFAOYSA-N 0 2 344.802 3.045 10 30 EGEELN 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N#CCC1(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)CC1 ZINC000432435195 458740567 /nfs/dbraw/zinc/74/05/67/458740567.db2.gz GPKQOGPAKBCHTL-UHFFFAOYSA-N 0 2 347.831 3.096 10 30 EGEELN N#Cc1ccc(CSc2n[n-]c(=[NH2+])n2C2CC2)c(C(F)(F)F)c1 ZINC000594892051 459167475 /nfs/dbraw/zinc/16/74/75/459167475.db2.gz VQFLPOKMQDJNAH-UHFFFAOYSA-N 0 2 339.346 3.208 10 30 EGEELN N#Cc1cc(Cl)ccc1NS(=O)(=O)CCCC1CCOCC1 ZINC000596041909 459500458 /nfs/dbraw/zinc/50/04/58/459500458.db2.gz NVUVIROVMYMCSY-UHFFFAOYSA-N 0 2 342.848 3.160 10 30 EGEELN CC(C)(C#N)c1ccc(S(=O)(=O)Nc2nnc(C3CC3)s2)cc1 ZINC000593275632 459826722 /nfs/dbraw/zinc/82/67/22/459826722.db2.gz IJTGPKMOEZTINS-UHFFFAOYSA-N 0 2 348.453 3.017 10 30 EGEELN CSc1ccncc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000610657419 460207015 /nfs/dbraw/zinc/20/70/15/460207015.db2.gz RLOBGUVCTGBEQK-UHFFFAOYSA-N 0 2 339.829 3.129 10 30 EGEELN Cc1ccsc1-c1nc(=NC(=O)N[C@@H]2CCC[C@H]2C#N)s[nH]1 ZINC000329978008 547511514 /nfs/dbraw/zinc/51/15/14/547511514.db2.gz 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/nfs/dbraw/zinc/79/82/26/1383798226.db2.gz YYUMFIKDWATHQQ-UHFFFAOYSA-N 0 2 329.375 3.193 10 30 EGEELN C=CCCC[C@@H](C(=O)N[C@H](C)c1nn(C)cc1O)c1ccccc1 ZINC001179926929 1386633840 /nfs/dbraw/zinc/63/38/40/1386633840.db2.gz QCJZQYSVDQEVMC-GDBMZVCRSA-N 0 2 327.428 3.443 10 30 EGEELN Cc1ccsc1-c1nc(=NC(=O)c2cc(C#N)oc2C)s[nH]1 ZINC000438375192 268066199 /nfs/dbraw/zinc/06/61/99/268066199.db2.gz GYFVUJVGKBBGMY-UHFFFAOYSA-N 0 2 330.394 3.022 10 30 EGEELN Cc1cc(C)nc([C@@H](C#N)C(=O)Cc2csc(-c3ccoc3)n2)n1 ZINC000076018645 453950110 /nfs/dbraw/zinc/95/01/10/453950110.db2.gz OOPYUSAAUMLZGF-AWEZNQCLSA-N 0 2 338.392 3.229 10 30 EGEELN Cc1cc(C)nc(C(C#N)C(=O)Cc2csc(-c3ccoc3)n2)n1 ZINC000076018645 453950113 /nfs/dbraw/zinc/95/01/13/453950113.db2.gz OOPYUSAAUMLZGF-AWEZNQCLSA-N 0 2 338.392 3.229 10 30 EGEELN Cc1nc(C(C)C)sc1C(=O)[C@@H](C#N)c1nnc2n1CCCCC2 ZINC000077479741 454110559 /nfs/dbraw/zinc/11/05/59/454110559.db2.gz JVVPBFIJOLRETB-GFCCVEGCSA-N 0 2 343.456 3.383 10 30 EGEELN Cc1nc(C(C)C)sc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000077479741 454110563 /nfs/dbraw/zinc/11/05/63/454110563.db2.gz JVVPBFIJOLRETB-GFCCVEGCSA-N 0 2 343.456 3.383 10 30 EGEELN CCC[C@H]1CCCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000061637367 454350680 /nfs/dbraw/zinc/35/06/80/454350680.db2.gz ZCRONHKZRWHIFE-LBPRGKRZSA-N 0 2 333.457 3.423 10 30 EGEELN O=C(C=Cc1ccc(O)c(O)c1)C=C(O)C=Cc1ccc(O)c(O)c1 ZINC000100809403 454467984 /nfs/dbraw/zinc/46/79/84/454467984.db2.gz MQHBAUYEIFLTRU-XVVYLEPSSA-N 0 2 340.331 3.247 10 30 EGEELN CC1(C#N)CC[NH+](Cc2cc(=O)oc3cc([O-])c(Cl)cc23)CC1 ZINC000285205631 455804704 /nfs/dbraw/zinc/80/47/04/455804704.db2.gz WUIATLLBIINPHV-UHFFFAOYSA-N 0 2 332.787 3.278 10 30 EGEELN C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cn(C)nc1C ZINC000288556006 456099474 /nfs/dbraw/zinc/09/94/74/456099474.db2.gz JKEPEVFFRZJDRT-UHFFFAOYSA-N 0 2 333.457 3.381 10 30 EGEELN CN(Cc1nc(=O)c2sccc2[nH]1)c1cc(C#N)c2ccccc2n1 ZINC000357293770 457425862 /nfs/dbraw/zinc/42/58/62/457425862.db2.gz 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C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000613183573 460854748 /nfs/dbraw/zinc/85/47/48/460854748.db2.gz SFNRAPZNEGWAHU-LBPRGKRZSA-N 0 2 331.199 3.108 10 30 EGEELN CCOC(=O)c1csc([C@H](C#N)C(=O)CCCCSC)n1 ZINC000740537659 576594299 /nfs/dbraw/zinc/59/42/99/576594299.db2.gz BXDFOWMYAUSTHG-SNVBAGLBSA-N 0 2 326.443 3.029 10 30 EGEELN Cc1c(NS(=O)(=O)Cc2ccc(CC#N)cc2)noc1C(C)(C)C ZINC000872009255 1296652327 /nfs/dbraw/zinc/65/23/27/1296652327.db2.gz WDUFUMWMKHBERY-UHFFFAOYSA-N 0 2 347.440 3.289 10 30 EGEELN C=CC[C@@H](C)OC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1C#N ZINC000883941594 1302672668 /nfs/dbraw/zinc/67/26/68/1302672668.db2.gz CJTLZBYKMRREGT-MRVPVSSYSA-N 0 2 346.330 3.278 10 30 EGEELN C=CC[C@H]1CCN1C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000890558286 1304815223 /nfs/dbraw/zinc/81/52/23/1304815223.db2.gz AJIXTEXMJQALKW-HNNXBMFYSA-N 0 2 325.412 3.492 10 30 EGEELN C=CCOc1cccc(NS(=O)(=O)c2cn(C)nc2C(C)(C)C)c1 ZINC001211241995 1372509998 /nfs/dbraw/zinc/50/99/98/1372509998.db2.gz 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Cc1ccsc1-c1nc(=NC(=O)N[C@H]2CC[C@@H](CC#N)C2)s[nH]1 ZINC000581054978 459267735 /nfs/dbraw/zinc/26/77/35/459267735.db2.gz VWPMLPPTESGBFU-QWRGUYRKSA-N 0 2 347.469 3.201 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N(C)C(C)(C)c2ccccc2)cc1C#N ZINC000586834329 459883271 /nfs/dbraw/zinc/88/32/71/459883271.db2.gz BQDDYUNOPYTBHJ-UHFFFAOYSA-N 0 2 341.436 3.388 10 30 EGEELN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000613159001 460846376 /nfs/dbraw/zinc/84/63/76/460846376.db2.gz KSAOPAAVSSLSEL-LBPRGKRZSA-N 0 2 331.199 3.108 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2CCC[C@H](C3CCC3)CC2)cc1C#N ZINC000601894361 460939057 /nfs/dbraw/zinc/93/90/57/460939057.db2.gz QJJBKDXEBMATAU-ZDUSSCGKSA-N 0 2 345.468 3.423 10 30 EGEELN N#Cc1c(C(F)(F)F)cc(=O)[nH]c1SCC(=O)OCCC1CC1 ZINC000744511866 576830270 /nfs/dbraw/zinc/83/02/70/576830270.db2.gz MNEQUATXNTTXQH-UHFFFAOYSA-N 0 2 346.330 3.113 10 30 EGEELN Cc1csc(C(C#N)C(=O)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000175082500 1294538478 /nfs/dbraw/zinc/53/84/78/1294538478.db2.gz 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CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC(C)(C)C[C@H]2C)cc1C#N ZINC000361481786 295688796 /nfs/dbraw/zinc/68/87/96/295688796.db2.gz QSPMQCHCYDUPLC-MFKMUULPSA-N 0 2 333.457 3.325 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2CCCC[C@@H]2CC(C)C)cc1C#N ZINC000119331885 152195925 /nfs/dbraw/zinc/19/59/25/152195925.db2.gz GKHNXMHQWGXTOU-CYBMUJFWSA-N 0 2 333.457 3.009 10 30 EGEELN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1cnccc1Oc1ccccc1 ZINC000359726151 167215459 /nfs/dbraw/zinc/21/54/59/167215459.db2.gz PXNOBCDZFMEYBQ-UHFFFAOYSA-N 0 2 345.362 3.020 10 30 EGEELN N#C[C@H](C(=O)c1ccc(-c2ncon2)cc1)c1nc2ccccc2o1 ZINC000170960583 455006837 /nfs/dbraw/zinc/00/68/37/455006837.db2.gz CWBZIZIRYWVFIZ-CYBMUJFWSA-N 0 2 330.303 3.368 10 30 EGEELN C=CC1CCN(C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)CC1 ZINC000194089835 455800759 /nfs/dbraw/zinc/80/07/59/455800759.db2.gz HFSSQJPZFUVRKK-UHFFFAOYSA-N 0 2 331.803 3.270 10 30 EGEELN N#CCCCOc1cccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000343070077 456385447 /nfs/dbraw/zinc/38/54/47/456385447.db2.gz 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458596720 /nfs/dbraw/zinc/59/67/20/458596720.db2.gz HGHDQZAFRNWLIH-SUMWQHHRSA-N 0 2 348.468 3.088 10 30 EGEELN C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000424263453 458596728 /nfs/dbraw/zinc/59/67/28/458596728.db2.gz HGHDQZAFRNWLIH-SUMWQHHRSA-N 0 2 348.468 3.088 10 30 EGEELN Cc1ccc(C#N)cc1S(=O)(=O)Nc1nccc(C)c1C1CC1 ZINC000594729198 459143450 /nfs/dbraw/zinc/14/34/50/459143450.db2.gz KAEDIEXWTRRQNK-UHFFFAOYSA-N 0 2 327.409 3.248 10 30 EGEELN CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc3c(cn2)OCCO3)s1 ZINC000580948583 459266667 /nfs/dbraw/zinc/26/66/67/459266667.db2.gz SSLSNIYUQBJTSG-JTQLQIEISA-N 0 2 343.408 3.097 10 30 EGEELN CC[C@H](C)n1ncc(C(=O)[C@H](C#N)c2nc3c(nccc3C)[nH]2)c1C ZINC000581463712 459272606 /nfs/dbraw/zinc/27/26/06/459272606.db2.gz ITHWYDRHXYIYLQ-AAEUAGOBSA-N 0 2 336.399 3.232 10 30 EGEELN Cc1ccsc1-c1nc(=NC(=O)[C@@]2(C#N)CC23CCCC3)s[nH]1 ZINC000568474399 459292506 /nfs/dbraw/zinc/29/25/06/459292506.db2.gz FSWDMKGBZSSTPU-INIZCTEOSA-N 0 2 344.465 3.410 10 30 EGEELN Cc1c(NS(=O)(=O)c2cccc(Cl)c2C#N)[nH]nc1C(C)C ZINC000592384960 459587268 /nfs/dbraw/zinc/58/72/68/459587268.db2.gz BXUXQCVBWCQRKR-UHFFFAOYSA-N 0 2 338.820 3.167 10 30 EGEELN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C2CCC2)cn1 ZINC000583853297 459606111 /nfs/dbraw/zinc/60/61/11/459606111.db2.gz TZNNUTVEHBMPTE-UHFFFAOYSA-N 0 2 343.408 3.030 10 30 EGEELN N#C[C@H](C(=O)c1cnn(CC(F)(F)F)c1)c1nc(C2CC2)cs1 ZINC000647379155 461668681 /nfs/dbraw/zinc/66/86/81/461668681.db2.gz FXSHJONERYBCDL-SNVBAGLBSA-N 0 2 340.330 3.269 10 30 EGEELN Cc1ccsc1-c1nc(=NC(=O)N[C@@H]2CCC[C@@H]2C#N)s[nH]1 ZINC000329978007 547511632 /nfs/dbraw/zinc/51/16/32/547511632.db2.gz GTMIWYHQTXBUBA-NXEZZACHSA-N 0 2 333.442 3.015 10 30 EGEELN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cc(C#N)ccn1 ZINC000352881678 574833468 /nfs/dbraw/zinc/83/34/68/574833468.db2.gz DSCOOLRDKZRYBA-UHFFFAOYSA-N 0 2 341.314 3.081 10 30 EGEELN CN(C(=O)c1cc(Br)cc(F)c1O)[C@@H]1CCC[C@@H]1C#N ZINC000870675489 1296012666 /nfs/dbraw/zinc/01/26/66/1296012666.db2.gz 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/nfs/dbraw/zinc/75/07/08/1383750708.db2.gz JRBUUEUJVHARIV-UHFFFAOYSA-N 0 2 331.375 3.376 10 30 EGEELN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1cnc2c(ccc(F)c2F)c1 ZINC001303338435 1383794866 /nfs/dbraw/zinc/79/48/66/1383794866.db2.gz UPBARCXTPDRQAA-UHFFFAOYSA-N 0 2 340.289 3.046 10 30 EGEELN CC(C)[C@H](C(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1ncc(F)cc1F ZINC001344983763 1390828974 /nfs/dbraw/zinc/82/89/74/1390828974.db2.gz MGZCPWVPKXBZKX-AAEUAGOBSA-N 0 2 338.354 3.150 10 30 EGEELN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)[C@H](C#N)c1ncc(F)cc1F ZINC001350354418 1391452509 /nfs/dbraw/zinc/45/25/09/1391452509.db2.gz QTORZAUCNHJWHJ-BDJLRTHQSA-N 0 2 342.345 3.492 10 30 EGEELN Cc1cc(C(O)=C(C#N)C(=O)N2CCCC2)c(C)n1-c1ccccc1 ZINC000103502704 219308306 /nfs/dbraw/zinc/30/83/06/219308306.db2.gz QMPRJIVZGYQKHA-SFHVURJKSA-N 0 2 335.407 3.039 10 30 EGEELN N#Cc1cc(F)c(S(=O)(=O)Nc2ccc3cc[nH]c3c2)c(F)c1 ZINC000193472953 266036424 /nfs/dbraw/zinc/03/64/24/266036424.db2.gz GUQCVCCZTVEUTP-UHFFFAOYSA-N 0 2 333.319 3.119 10 30 EGEELN CCc1c(Nc2ncc(C#N)cc2[N+](=O)[O-])cnn1CCC(C)C ZINC000450487073 267242602 /nfs/dbraw/zinc/24/26/02/267242602.db2.gz MLVBPRIUBWEQIJ-UHFFFAOYSA-N 0 2 328.376 3.410 10 30 EGEELN Cc1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)ccc1C#N ZINC000446817312 268017652 /nfs/dbraw/zinc/01/76/52/268017652.db2.gz KFAJQIICHGDWBY-UHFFFAOYSA-N 0 2 342.207 3.369 10 30 EGEELN Cc1c(C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)sc2nccc(C)c12 ZINC000580113723 325204877 /nfs/dbraw/zinc/20/48/77/325204877.db2.gz UWKAQTDYIZSGPN-UHFFFAOYSA-N 0 2 337.408 3.060 10 30 EGEELN N#CC[C@@H]1CC[C@H](NC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)C1 ZINC000296819714 456046120 /nfs/dbraw/zinc/04/61/20/456046120.db2.gz GWQHXYLGIXVMLA-AAEUAGOBSA-N 0 2 344.802 3.043 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1C#N ZINC000349756448 457040806 /nfs/dbraw/zinc/04/08/06/457040806.db2.gz HOHKKGNXDGVURU-GXTWGEPZSA-N 0 2 331.441 3.079 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)Nc2ccccc2OC(C)C)cc1C#N ZINC000349847798 457076693 /nfs/dbraw/zinc/07/66/93/457076693.db2.gz 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COc1csc(C(=O)[C@@H](C#N)c2nnc(-c3ccccc3)n2C)c1 ZINC000078975533 454347453 /nfs/dbraw/zinc/34/74/53/454347453.db2.gz FYBFRPVCYIBWSJ-CYBMUJFWSA-N 0 2 338.392 3.042 10 30 EGEELN CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000343158825 456442072 /nfs/dbraw/zinc/44/20/72/456442072.db2.gz IZWYJHLEFSSBRL-LBPRGKRZSA-N 0 2 339.351 3.395 10 30 EGEELN CCc1cc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)ccc1F ZINC000340757492 456670096 /nfs/dbraw/zinc/67/00/96/456670096.db2.gz YOJUFAZUYWAKGR-UHFFFAOYSA-N 0 2 331.372 3.335 10 30 EGEELN Cc1c(C#N)cccc1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000340956911 456782944 /nfs/dbraw/zinc/78/29/44/456782944.db2.gz NZDQLLDRGUFRQQ-UHFFFAOYSA-N 0 2 341.314 3.081 10 30 EGEELN CCCc1cnc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)s1 ZINC000345677982 456986847 /nfs/dbraw/zinc/98/68/47/456986847.db2.gz LXRORMFXKIGLRY-UHFFFAOYSA-N 0 2 334.426 3.042 10 30 EGEELN CCC1(CNC(=O)c2cc(C#N)c(SC)[nH]c2=O)CCCCC1 ZINC000358187557 457846667 /nfs/dbraw/zinc/84/66/67/457846667.db2.gz PZZYCXIBJZIYIX-UHFFFAOYSA-N 0 2 333.457 3.471 10 30 EGEELN C=C(C)Cn1c(CCc2ccco2)n[n-]c1=[NH+]c1cccc(OC)c1 ZINC000460368022 458513810 /nfs/dbraw/zinc/51/38/10/458513810.db2.gz DJDATBGFHAWMKS-UHFFFAOYSA-N 0 2 338.411 3.407 10 30 EGEELN N#CC1(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)CCCCC1 ZINC000596835395 459774890 /nfs/dbraw/zinc/77/48/90/459774890.db2.gz ANEMGGFMBNGEPJ-UHFFFAOYSA-N 0 2 347.469 3.284 10 30 EGEELN CC(C)(C)n1nccc1NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593278318 459827502 /nfs/dbraw/zinc/82/75/02/459827502.db2.gz KSQRESQDEBFSOY-UHFFFAOYSA-N 0 2 346.456 3.240 10 30 EGEELN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000597863752 460083758 /nfs/dbraw/zinc/08/37/58/460083758.db2.gz HYKSYXZQOUPNDJ-SMDDNHRTSA-N 0 2 331.441 3.245 10 30 EGEELN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)[C@@H](c1cccnc1)C1CCCCC1 ZINC000601738273 460886492 /nfs/dbraw/zinc/88/64/92/460886492.db2.gz RKLKFWRIBPNAKK-QGZVFWFLSA-N 0 2 349.438 3.278 10 30 EGEELN CCOc1cc(C(O)=C(C#N)C(=O)NC2CCCCC2)ccc1C ZINC000733678803 575381382 /nfs/dbraw/zinc/38/13/82/575381382.db2.gz KABUMHCPRUMOGM-INIZCTEOSA-N 0 2 328.412 3.165 10 30 EGEELN C=CCCCN(CC)C(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC000890812613 1304885434 /nfs/dbraw/zinc/88/54/34/1304885434.db2.gz AMTNXLOVSPMKJT-UHFFFAOYSA-N 0 2 329.400 3.015 10 30 EGEELN CC(C)(C(=O)Nc1nc(-c2ccccc2F)n[nH]1)c1ccc(C#N)cc1 ZINC001182474298 1387172093 /nfs/dbraw/zinc/17/20/93/1387172093.db2.gz BRSAXVMSRDKYRP-UHFFFAOYSA-N 0 2 349.369 3.399 10 30 EGEELN N#Cc1ccc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1O ZINC000188987242 268047897 /nfs/dbraw/zinc/04/78/97/268047897.db2.gz CXIFTQMOYMPJPO-UHFFFAOYSA-N 0 2 346.268 3.411 10 30 EGEELN N#Cc1nc(NC(=O)[C@H]2CC[C@@H]2c2ccc(Cl)cc2F)[nH]c1C#N ZINC000579673305 325141826 /nfs/dbraw/zinc/14/18/26/325141826.db2.gz AIZQJKYUWVQVNM-KOLCDFICSA-N 0 2 343.749 3.078 10 30 EGEELN C[S@@](=O)c1cccc(C(=O)C(C#N)c2nccc3ccccc32)c1 ZINC000616724209 460605930 /nfs/dbraw/zinc/60/59/30/460605930.db2.gz QHNOPHBCMXOZAN-MZNJEOGPSA-N 0 2 334.400 3.462 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)Nc2ncc(C(C)(C)C)s2)cc1C#N ZINC000075182122 453869661 /nfs/dbraw/zinc/86/96/61/453869661.db2.gz ZQIJEXIFMVWMCW-UHFFFAOYSA-N 0 2 348.453 3.387 10 30 EGEELN CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000612406463 460622586 /nfs/dbraw/zinc/62/25/86/460622586.db2.gz MUCNJCYFJRHJGC-NRFANRHFSA-N 0 2 340.515 3.344 10 30 EGEELN N#C[C@H](NC(=O)C(F)(F)C(F)F)c1ccc(Br)cc1 ZINC000267231520 455520619 /nfs/dbraw/zinc/52/06/19/455520619.db2.gz ZNBPEINARNXESZ-QMMMGPOBSA-N 0 2 339.086 3.030 10 30 EGEELN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000330733352 457079459 /nfs/dbraw/zinc/07/94/59/457079459.db2.gz KSGJQSYUFDVKGB-XHDPSFHLSA-N 0 2 336.388 3.446 10 30 EGEELN C=CCC1(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)CCOCC1 ZINC000425239140 457468657 /nfs/dbraw/zinc/46/86/57/457468657.db2.gz SIFCNNUVVPZDBX-UHFFFAOYSA-N 0 2 348.353 3.061 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1C#N ZINC000440119114 458783444 /nfs/dbraw/zinc/78/34/44/458783444.db2.gz HLMFCRQBZDCJDL-GMXVVIOVSA-N 0 2 331.441 3.079 10 30 EGEELN Cc1ccnc(NS(=O)(=O)c2ccc(C#N)c(C)c2)c1C1CC1 ZINC000594727620 459143098 /nfs/dbraw/zinc/14/30/98/459143098.db2.gz PRFFQSAGRYQYHW-UHFFFAOYSA-N 0 2 327.409 3.248 10 30 EGEELN Cc1ccsc1-c1nc(=NC(=O)NCC2(C#N)CCCC2)s[nH]1 ZINC000593182230 459799606 /nfs/dbraw/zinc/79/96/06/459799606.db2.gz CJAVSLURKZVKOV-UHFFFAOYSA-N 0 2 347.469 3.202 10 30 EGEELN COc1ccc(C)nc1NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593277349 459827441 /nfs/dbraw/zinc/82/74/41/459827441.db2.gz SHFYVQHDFARXRJ-UHFFFAOYSA-N 0 2 345.424 3.001 10 30 EGEELN CCC[C@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)c1ccccn1 ZINC000609202422 459923968 /nfs/dbraw/zinc/92/39/68/459923968.db2.gz IQNMCJLCEMJQQI-AWEZNQCLSA-N 0 2 342.424 3.047 10 30 EGEELN C=CCOCCCC(=O)N=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000622929186 460355992 /nfs/dbraw/zinc/35/59/92/460355992.db2.gz GUNVHMPLQBTZKE-UHFFFAOYSA-N 0 2 337.832 3.202 10 30 EGEELN CC(C)[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)c1nnc2ccccn21 ZINC000726119089 574541479 /nfs/dbraw/zinc/54/14/79/574541479.db2.gz UBOIBKXBZBWXMT-PMFHANACSA-N 0 2 339.355 3.159 10 30 EGEELN Cc1ccc2c(c1C)NC(=O)C2=NN=c1nc(-c2ccccc2)[nH]o1 ZINC000726739834 574569237 /nfs/dbraw/zinc/56/92/37/574569237.db2.gz UUXYCYBASCKSRW-UHFFFAOYSA-N 0 2 333.351 3.122 10 30 EGEELN N#Cc1ccccc1S(=O)(=O)Nc1ccccc1C(F)(F)F ZINC000039715243 1291408519 /nfs/dbraw/zinc/40/85/19/1291408519.db2.gz FZDKDAFNZWGGIG-UHFFFAOYSA-N 0 2 326.299 3.378 10 30 EGEELN Cc1csc(C(C#N)C(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000175082535 1294539253 /nfs/dbraw/zinc/53/92/53/1294539253.db2.gz XSOKQFFHCBVCSB-PXAZEXFGSA-N 0 2 349.456 3.275 10 30 EGEELN Cc1csc([C@H](C#N)C(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000175082535 1294539261 /nfs/dbraw/zinc/53/92/61/1294539261.db2.gz XSOKQFFHCBVCSB-PXAZEXFGSA-N 0 2 349.456 3.275 10 30 EGEELN C#CC[C@H]1CCCN(C(=O)c2cc(Br)cc(F)c2O)C1 ZINC000869073691 1330409713 /nfs/dbraw/zinc/40/97/13/1330409713.db2.gz LJWHEJSXNTZBFK-JTQLQIEISA-N 0 2 340.192 3.169 10 30 EGEELN C=C(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N1CCCC[C@@H]1CC ZINC001122490798 1372259098 /nfs/dbraw/zinc/25/90/98/1372259098.db2.gz UTOPSRHNDXIWPH-NSHDSACASA-N 0 2 335.843 3.062 10 30 EGEELN Cc1cc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)nn1-c1ccc(C)cc1 ZINC001152501370 1379942849 /nfs/dbraw/zinc/94/28/49/1379942849.db2.gz HKWXZVRZHIDMCF-UHFFFAOYSA-N 0 2 347.378 3.022 10 30 EGEELN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])sc2C1 ZINC001351765596 1391687347 /nfs/dbraw/zinc/68/73/47/1391687347.db2.gz KLKJNQBQDVWTDL-UFGOTCBOSA-N 0 2 347.440 3.374 10 30 EGEELN O=C1/C(=N\O)c2ccccc2N1CCOc1ccc2ccccc2c1 ZINC000101101609 219115963 /nfs/dbraw/zinc/11/59/63/219115963.db2.gz UGYUQYOFTWSDNX-VZCXRCSSSA-N 0 2 332.359 3.444 10 30 EGEELN Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)s2)o1 ZINC000065003870 258062544 /nfs/dbraw/zinc/06/25/44/258062544.db2.gz CRGGGDCCVDCZNB-UHFFFAOYSA-N 0 2 345.405 3.384 10 30 EGEELN CC(C)c1csc(NS(=O)(=O)Cc2ccc(CC#N)cc2)n1 ZINC000567869783 459181752 /nfs/dbraw/zinc/18/17/52/459181752.db2.gz IJGVFGLOTZFZGI-UHFFFAOYSA-N 0 2 335.454 3.274 10 30 EGEELN Cc1sc2ccccc2c1S(=O)(=O)Nc1ccc(C#N)cn1 ZINC000084919775 454014597 /nfs/dbraw/zinc/01/45/97/454014597.db2.gz SUDKMAHJWPXQMM-UHFFFAOYSA-N 0 2 329.406 3.277 10 30 EGEELN CCCC[C@H]1CCC[C@@H]1NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000069541330 454118080 /nfs/dbraw/zinc/11/80/80/454118080.db2.gz SBKRXCMFWGZSKQ-FZMZJTMJSA-N 0 2 333.457 3.469 10 30 EGEELN Cn1cc(C#N)cc1C(O)=C(C#N)c1nc2ccccc2n1C(F)F ZINC000176100063 455540564 /nfs/dbraw/zinc/54/05/64/455540564.db2.gz SYCYBFZNVBOKIZ-NSHDSACASA-N 0 2 339.305 3.132 10 30 EGEELN Cn1cc(NS(=O)(=O)c2ccc(C#N)cc2)c(C2CCCCC2)n1 ZINC000296738887 456024861 /nfs/dbraw/zinc/02/48/61/456024861.db2.gz OSJAFILVIOZRPB-UHFFFAOYSA-N 0 2 344.440 3.140 10 30 EGEELN CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000331309933 457164030 /nfs/dbraw/zinc/16/40/30/457164030.db2.gz BPPPUUOWUGEOHE-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/25/82/80/459258280.db2.gz RSKMLPSBLAKBFO-CQSZACIVSA-N 0 2 349.385 3.172 10 30 EGEELN C=CC[C@H]1CCN(C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)C1 ZINC000628488646 460439483 /nfs/dbraw/zinc/43/94/83/460439483.db2.gz DVXQSZCKGPCHGA-ZDUSSCGKSA-N 0 2 329.375 3.064 10 30 EGEELN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000122516205 1293415453 /nfs/dbraw/zinc/41/54/53/1293415453.db2.gz HRFNLALQOWVPRF-FGTMMUONSA-N 0 2 343.386 3.269 10 30 EGEELN N#Cc1ccc(C2(C(=O)Nc3ccc4nn[nH]c4c3)CCCC2)cc1 ZINC000859914706 1329109607 /nfs/dbraw/zinc/10/96/07/1329109607.db2.gz RZMNCDSOJIIEIY-UHFFFAOYSA-N 0 2 331.379 3.280 10 30 EGEELN N#CC(C(=O)[C@]1(C2CCCC2)CCNC1=O)c1nccc2ccccc21 ZINC000860703107 1329346299 /nfs/dbraw/zinc/34/62/99/1329346299.db2.gz XPYJUJNMBNTXKF-DYESRHJHSA-N 0 2 347.418 3.108 10 30 EGEELN C#C[C@H](NC(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O)C(C)(C)C ZINC001141643929 1378356806 /nfs/dbraw/zinc/35/68/06/1378356806.db2.gz CCBMBWYBQBNJIJ-KRWDZBQOSA-N 0 2 339.439 3.479 10 30 EGEELN C#CCC1(C(=O)Nc2nccc(Br)c2O)CCCCC1 ZINC001150031886 1379486695 /nfs/dbraw/zinc/48/66/95/1379486695.db2.gz GZWLRUGSKGQKRU-UHFFFAOYSA-N 0 2 337.217 3.462 10 30 EGEELN CC#CC[C@@H](CO)NC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC001161609761 1382456715 /nfs/dbraw/zinc/45/67/15/1382456715.db2.gz QRCCEPOTNWKZCW-HNNXBMFYSA-N 0 2 343.810 3.217 10 30 EGEELN COc1cc(OC2CC2)ccc1C(=O)C(C#N)c1ncc(F)cc1F ZINC001345999112 1390899754 /nfs/dbraw/zinc/89/97/54/1390899754.db2.gz FSYGVRKHGHIKBZ-CQSZACIVSA-N 0 2 344.317 3.400 10 30 EGEELN COc1cc(OC2CC2)ccc1C(=O)[C@H](C#N)c1ncc(F)cc1F ZINC001345999112 1390899756 /nfs/dbraw/zinc/89/97/56/1390899756.db2.gz FSYGVRKHGHIKBZ-CQSZACIVSA-N 0 2 344.317 3.400 10 30 EGEELN N#Cc1nc(NC(=O)[C@H]2CC[C@H]2c2ccc(Cl)cc2F)[nH]c1C#N ZINC000579673307 325142211 /nfs/dbraw/zinc/14/22/11/325142211.db2.gz AIZQJKYUWVQVNM-ONGXEEELSA-N 0 2 343.749 3.078 10 30 EGEELN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000620309079 460609003 /nfs/dbraw/zinc/60/90/03/460609003.db2.gz JIWQQULJHUBQFJ-GASCZTMLSA-N 0 2 341.386 3.349 10 30 EGEELN CSCc1ccc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)cc1 ZINC000067180854 453909679 /nfs/dbraw/zinc/90/96/79/453909679.db2.gz LEDSXWLRDWRZMX-UHFFFAOYSA-N 0 2 345.449 3.496 10 30 EGEELN Cc1nc(C(C)C)sc1C(=O)[C@H](C#N)c1nnc2n1CCCCC2 ZINC000077479744 454110570 /nfs/dbraw/zinc/11/05/70/454110570.db2.gz JVVPBFIJOLRETB-LBPRGKRZSA-N 0 2 343.456 3.383 10 30 EGEELN Cc1nc(C(C)C)sc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000077479744 454110573 /nfs/dbraw/zinc/11/05/73/454110573.db2.gz JVVPBFIJOLRETB-LBPRGKRZSA-N 0 2 343.456 3.383 10 30 EGEELN COc1cc(C#N)c(NC(=O)c2cc(Cl)ccc2O)cc1OC ZINC000090563091 454322360 /nfs/dbraw/zinc/32/23/60/454322360.db2.gz AIHGXPKGNHATFH-UHFFFAOYSA-N 0 2 332.743 3.187 10 30 EGEELN Cc1cc([N+](=O)[O-])ccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C ZINC000102115776 454494480 /nfs/dbraw/zinc/49/44/80/454494480.db2.gz YRMPTVRFTBJWQC-CQSZACIVSA-N 0 2 334.335 3.280 10 30 EGEELN N#Cc1cccc(NS(=O)(=O)c2ccc(-c3ccno3)s2)c1 ZINC000065031138 454525339 /nfs/dbraw/zinc/52/53/39/454525339.db2.gz XPJGUTLXKIAENO-UHFFFAOYSA-N 0 2 331.378 3.076 10 30 EGEELN COc1ccc(Cn2[nH]c(C(C)(C)C)c(CCC#N)c2=O)cc1C#N ZINC000153531008 454803796 /nfs/dbraw/zinc/80/37/96/454803796.db2.gz CVRJRDITPQVYDA-UHFFFAOYSA-N 0 2 338.411 3.271 10 30 EGEELN CCCCc1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)[nH]n1 ZINC000159936645 455416462 /nfs/dbraw/zinc/41/64/62/455416462.db2.gz MHJZJXMBTFOVDM-UHFFFAOYSA-N 0 2 338.820 3.078 10 30 EGEELN COc1ccc(C=Nc2cccc3c(=O)[nH][nH]c(=O)c23)c2ccccc12 ZINC000252462380 455805287 /nfs/dbraw/zinc/80/52/87/455805287.db2.gz RWHSKYOYQJWJBT-UHFFFAOYSA-N 0 2 345.358 3.129 10 30 EGEELN N#Cc1ccccc1CSCCNC(=O)c1c(O)cc(F)cc1F ZINC000195288202 455941379 /nfs/dbraw/zinc/94/13/79/455941379.db2.gz CDRMWFNLHVZQDG-UHFFFAOYSA-N 0 2 348.374 3.205 10 30 EGEELN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343074581 456389538 /nfs/dbraw/zinc/38/95/38/456389538.db2.gz VNGQGABDHYOEOG-UHFFFAOYSA-N 0 2 342.351 3.137 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)Nc2cc(F)cc(F)c2F)cc1C#N ZINC000348139538 456510255 /nfs/dbraw/zinc/51/02/55/456510255.db2.gz CWHRESXDRDQXTM-UHFFFAOYSA-N 0 2 339.298 3.050 10 30 EGEELN CO[C@@H](C)c1cccc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)c1 ZINC000339275344 457035003 /nfs/dbraw/zinc/03/50/03/457035003.db2.gz KRVLODQGOWLITF-JTQLQIEISA-N 0 2 343.408 3.340 10 30 EGEELN Cc1cc2[nH]ncc2cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000358805593 458228332 /nfs/dbraw/zinc/22/83/32/458228332.db2.gz VTHVMVLYXZVTMF-UHFFFAOYSA-N 0 2 346.799 3.197 10 30 EGEELN CO[C@@H](C)c1nc(C)c(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)s1 ZINC000429343168 458319949 /nfs/dbraw/zinc/31/99/49/458319949.db2.gz BWJZQRGIGOUHFN-CMPLNLGQSA-N 0 2 330.413 3.056 10 30 EGEELN CO[C@@H](C)c1nc(C)c(C(=O)C(C#N)c2cc(C)nc(C)n2)s1 ZINC000429343168 458319952 /nfs/dbraw/zinc/31/99/52/458319952.db2.gz BWJZQRGIGOUHFN-CMPLNLGQSA-N 0 2 330.413 3.056 10 30 EGEELN Cc1cnc(-c2cccc(NS(=O)(=O)c3ccc(C#N)s3)c2)o1 ZINC000373760057 458593962 /nfs/dbraw/zinc/59/39/62/458593962.db2.gz JUWBCDQRNQLLIT-UHFFFAOYSA-N 0 2 345.405 3.384 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N2CCCC3(CCCC3)C2)cc1C#N ZINC000525877821 459510655 /nfs/dbraw/zinc/51/06/55/459510655.db2.gz JJYYWJGUKFYBMX-UHFFFAOYSA-N 0 2 331.441 3.177 10 30 EGEELN Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2C)nn1[C@H](C)C1CC1 ZINC000543166170 459629699 /nfs/dbraw/zinc/62/96/99/459629699.db2.gz PINJHAZMEONKMR-CYBMUJFWSA-N 0 2 344.440 3.143 10 30 EGEELN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC[C@](C)(C#N)C3)=N2)cc1 ZINC000598409340 459892993 /nfs/dbraw/zinc/89/29/93/459892993.db2.gz GCGQRKQEMNLGAT-LJQANCHMSA-N 0 2 338.411 3.077 10 30 EGEELN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@H]2CC3CCC2CC3)cc1C#N ZINC000575067313 459919736 /nfs/dbraw/zinc/91/97/36/459919736.db2.gz IXFAROLDRSKBLM-DLOFLVKXSA-N 0 2 345.468 3.325 10 30 EGEELN C[C@@]1(C#N)CCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000598774349 460030186 /nfs/dbraw/zinc/03/01/86/460030186.db2.gz GYGKETMBIRIBIT-ZDUSSCGKSA-N 0 2 343.608 3.184 10 30 EGEELN CCC(NC(=O)c1cc(C#N)c(SC)[nH]c1=O)(C1CC1)C1CC1 ZINC000600247668 460456543 /nfs/dbraw/zinc/45/65/43/460456543.db2.gz WLPDEQQOXRIARE-UHFFFAOYSA-N 0 2 331.441 3.079 10 30 EGEELN CC(=O)NCc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)s1 ZINC000647377564 461669008 /nfs/dbraw/zinc/66/90/08/461669008.db2.gz VGKBBQDTLWCZAB-GFCCVEGCSA-N 0 2 345.449 3.208 10 30 EGEELN N#Cc1ccccc1S(=O)(=O)Nc1ccc(-c2ccccc2)nc1 ZINC000062545999 1291993636 /nfs/dbraw/zinc/99/36/36/1291993636.db2.gz SIPLHTKNSBSGKM-UHFFFAOYSA-N 0 2 335.388 3.421 10 30 EGEELN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCCC2(CCCC2)C1 ZINC001121716283 1372057528 /nfs/dbraw/zinc/05/75/28/1372057528.db2.gz GBNZNNCMIAABII-UHFFFAOYSA-N 0 2 347.854 3.063 10 30 EGEELN N#Cc1cccc(-c2cc(C(=O)Nc3c(F)ccnc3F)on2)c1 ZINC001129484118 1373388908 /nfs/dbraw/zinc/38/89/08/1373388908.db2.gz PSQKRGCWVJQOCZ-UHFFFAOYSA-N 0 2 326.262 3.139 10 30 EGEELN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1cccnc1Oc1ccccc1 ZINC001141603380 1378349858 /nfs/dbraw/zinc/34/98/58/1378349858.db2.gz MLOOORAPLRRVKO-UHFFFAOYSA-N 0 2 346.346 3.407 10 30 EGEELN COC1(C(=O)C(C#N)c2ncc(F)cc2F)CCC(F)(F)CC1 ZINC001345999868 1390899960 /nfs/dbraw/zinc/89/99/60/1390899960.db2.gz MJLJFZSASJQGCX-SNVBAGLBSA-N 0 2 330.281 3.131 10 30 EGEELN COC1(C(=O)[C@H](C#N)c2ncc(F)cc2F)CCC(F)(F)CC1 ZINC001345999868 1390899961 /nfs/dbraw/zinc/89/99/61/1390899961.db2.gz MJLJFZSASJQGCX-SNVBAGLBSA-N 0 2 330.281 3.131 10 30 EGEELN CCCOc1ccc(OCC(=O)[C@H](C#N)c2ncc(F)cc2F)cc1 ZINC001346762806 1390977947 /nfs/dbraw/zinc/97/79/47/1390977947.db2.gz GYOFHKHCQGLMMO-HNNXBMFYSA-N 0 2 346.333 3.404 10 30 EGEELN