smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](NCCOC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000160931866 346173722 /nfs/dbraw/zinc/17/37/22/346173722.db2.gz GJDTVMSJFDOIQE-CVEARBPZSA-N 0 3 281.371 3.062 20 70 CGIDHN CCO[C@@H]1C[C@@H](NCc2cccc(F)c2F)C1(C)C ZINC000217901519 346291997 /nfs/dbraw/zinc/29/19/97/346291997.db2.gz GODVSDLYNRIAQT-CHWSQXEVSA-N 0 3 269.335 3.258 20 70 CGIDHN Cc1cccc(C)c1OCCCN[C@@H](C)c1cnn(C)c1 ZINC000161234969 188516895 /nfs/dbraw/zinc/51/68/95/188516895.db2.gz QMWCDUOKXWRNMR-HNNXBMFYSA-N 0 3 287.407 3.157 20 70 CGIDHN C[C@H](NC[C@@H](CO)c1ccccc1)c1cccnc1Cl ZINC000161465993 188529709 /nfs/dbraw/zinc/52/97/09/188529709.db2.gz UCCNKIAOSYZKIJ-JSGCOSHPSA-N 0 3 290.794 3.162 20 70 CGIDHN Cc1ccccc1[C@@H](C)NCCC(=O)N1CCCCCC1 ZINC000159366618 372136154 /nfs/dbraw/zinc/13/61/54/372136154.db2.gz PHXWYHZZFYSDTE-MRXNPFEDSA-N 0 3 288.435 3.438 20 70 CGIDHN CC[C@H](NCC(=O)NCC(C)C)c1cccc(Cl)c1 ZINC000159381438 372138354 /nfs/dbraw/zinc/13/83/54/372138354.db2.gz FYWQIYRORFHSFU-AWEZNQCLSA-N 0 3 282.815 3.153 20 70 CGIDHN Cc1ccc([C@@H](C)NC[C@](C)(O)CCC(C)C)o1 ZINC000159431653 372143427 /nfs/dbraw/zinc/14/34/27/372143427.db2.gz GESAFYBJTQDDPM-UKRRQHHQSA-N 0 3 253.386 3.426 20 70 CGIDHN CCOCCCN1CCC[C@H]1c1cccc(F)c1 ZINC000159444828 372144671 /nfs/dbraw/zinc/14/46/71/372144671.db2.gz QGWXMPVVJOTSEI-HNNXBMFYSA-N 0 3 251.345 3.389 20 70 CGIDHN c1ccc(CN(CCOCC2CC2)C[C@H]2CCCO2)cc1 ZINC000159548804 372154266 /nfs/dbraw/zinc/15/42/66/372154266.db2.gz TVSOHIQESYALCP-GOSISDBHSA-N 0 3 289.419 3.094 20 70 CGIDHN CCCc1ccc([C@H](C)N[C@@H](CCO)CSC)cc1 ZINC000160252035 372230079 /nfs/dbraw/zinc/23/00/79/372230079.db2.gz KZJXDDJRNJNGKW-BBRMVZONSA-N 0 3 281.465 3.404 20 70 CGIDHN C[C@H](CN[C@H](C)c1cncc(F)c1)N1CCc2ccccc21 ZINC000159931295 372194592 /nfs/dbraw/zinc/19/45/92/372194592.db2.gz VWKAXVVKHJLULF-ZIAGYGMSSA-N 0 3 299.393 3.323 20 70 CGIDHN C[C@H](CN[C@H](C)c1ccco1)N1CCc2ccccc21 ZINC000159927883 372195193 /nfs/dbraw/zinc/19/51/93/372195193.db2.gz NOOMFIRROKXLNW-ZIAGYGMSSA-N 0 3 270.376 3.381 20 70 CGIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000160584752 372259562 /nfs/dbraw/zinc/25/95/62/372259562.db2.gz PQOBGWPTMUUGMZ-KGLIPLIRSA-N 0 3 292.423 3.390 20 70 CGIDHN C[C@@H](NC[C@H](CO)c1ccccc1)c1ccccc1F ZINC000161401000 372322369 /nfs/dbraw/zinc/32/23/69/372322369.db2.gz HVIFOBSGSGRACI-UKRRQHHQSA-N 0 3 273.351 3.252 20 70 CGIDHN C[C@@H](NC[C@H](CO)c1ccccc1)c1ccc(F)cc1F ZINC000161455494 372325138 /nfs/dbraw/zinc/32/51/38/372325138.db2.gz XBKQJBSIWDNBIE-TZMCWYRMSA-N 0 3 291.341 3.392 20 70 CGIDHN c1cc2cccc(CNCCOC3CCCC3)c2[nH]1 ZINC000218156470 376184720 /nfs/dbraw/zinc/18/47/20/376184720.db2.gz QJPZVCJHKFQUDN-UHFFFAOYSA-N 0 3 258.365 3.217 20 70 CGIDHN C[C@@H]1CCCC[C@H]1CNC(=O)C[C@@H](N)c1ccccc1 ZINC000218460515 376186377 /nfs/dbraw/zinc/18/63/77/376186377.db2.gz GDZOCIUQGYHYGB-VNQPRFMTSA-N 0 3 274.408 3.019 20 70 CGIDHN C[C@H](NCc1ccc(Br)cn1)C1CCC1 ZINC000160178140 542153403 /nfs/dbraw/zinc/15/34/03/542153403.db2.gz GTNQHEQNERVARX-VIFPVBQESA-N 0 3 269.186 3.122 20 70 CGIDHN COc1ccc([C@H](C)N[C@H]2CCCC[C@H]2OC)c(OC)c1 ZINC000218040941 392996526 /nfs/dbraw/zinc/99/65/26/392996526.db2.gz WRIQNYNKHARKAM-VBNZEHGJSA-N 0 3 293.407 3.312 20 70 CGIDHN COc1ccccc1N1CC[C@@H](N[C@H](C)c2ccccn2)C1 ZINC000159362347 278054240 /nfs/dbraw/zinc/05/42/40/278054240.db2.gz HQQRKJRDNSEWID-HUUCEWRRSA-N 0 3 297.402 3.020 20 70 CGIDHN C[C@@H](N[C@@H]1CCCc2cc(F)ccc21)C(=O)NC(C)(C)C ZINC000159539684 278371214 /nfs/dbraw/zinc/37/12/14/278371214.db2.gz RGAKDKWHGVPGOX-IAQYHMDHSA-N 0 3 292.398 3.096 20 70 CGIDHN CCN(CC)CCSc1nc(C(C)(C)C)ns1 ZINC000159735100 321839892 /nfs/dbraw/zinc/83/98/92/321839892.db2.gz UNLAHRPVCKLYCZ-UHFFFAOYSA-N 0 3 273.471 3.270 20 70 CGIDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2cnn(C)c2)C1(CC)CC ZINC000161302332 321866007 /nfs/dbraw/zinc/86/60/07/321866007.db2.gz RKPDDOUQKJGONY-NWANDNLSSA-N 0 3 279.428 3.055 20 70 CGIDHN C[C@H](NCCN(C)Cc1ccc(F)cc1)c1cncs1 ZINC000160119328 533855439 /nfs/dbraw/zinc/85/54/39/533855439.db2.gz TUCMGRHCYHPCGQ-LBPRGKRZSA-N 0 3 293.411 3.065 20 70 CGIDHN CC(C)OCCN[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161478404 519768312 /nfs/dbraw/zinc/76/83/12/519768312.db2.gz BORYXIDJVWDZLB-KRWDZBQOSA-N 0 3 293.407 3.170 20 70 CGIDHN CC(C)(C)NC(=O)CNC1CC(c2ccccc2Cl)C1 ZINC000159860165 526312945 /nfs/dbraw/zinc/31/29/45/526312945.db2.gz OZBLUADDHJNXQB-UHFFFAOYSA-N 0 3 294.826 3.090 20 70 CGIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(C(C)C)cc1)CC2 ZINC000160302178 282127147 /nfs/dbraw/zinc/12/71/47/282127147.db2.gz MGQWKLCXWUSOBZ-CXAGYDPISA-N 0 3 298.434 3.376 20 70 CGIDHN CN(Cc1ccccc1)CC(C)(C)NCc1ccccn1 ZINC000159386385 372137420 /nfs/dbraw/zinc/13/74/20/372137420.db2.gz RRLSQQLNNBHOSO-UHFFFAOYSA-N 0 3 283.419 3.082 20 70 CGIDHN C[C@@H]1Cc2ccc(F)cc2[C@H]1NCCOCC(F)(F)F ZINC000159377009 372137739 /nfs/dbraw/zinc/13/77/39/372137739.db2.gz DXPCVFWZIMOAOI-RNCFNFMXSA-N 0 3 291.288 3.228 20 70 CGIDHN CN(Cc1ccccc1)CC(C)(C)NCc1cccnc1 ZINC000159403623 372139234 /nfs/dbraw/zinc/13/92/34/372139234.db2.gz QTDWTBMKAKOONT-UHFFFAOYSA-N 0 3 283.419 3.082 20 70 CGIDHN CCc1nc(CN2CC[C@@H]3CCCC[C@@H]32)cs1 ZINC000159696573 372170453 /nfs/dbraw/zinc/17/04/53/372170453.db2.gz LPFOIUBIXMKSAB-AAEUAGOBSA-N 0 3 250.411 3.470 20 70 CGIDHN C[C@H](NCCO)c1ccc(SC2CCCC2)cc1 ZINC000159720384 372171764 /nfs/dbraw/zinc/17/17/64/372171764.db2.gz KIVOSRXPXNZULG-LBPRGKRZSA-N 0 3 265.422 3.364 20 70 CGIDHN CN(CCn1ccnc1)Cc1csc2ccccc12 ZINC000159744399 372175198 /nfs/dbraw/zinc/17/51/98/372175198.db2.gz KIHQOAZQASLFMZ-UHFFFAOYSA-N 0 3 271.389 3.230 20 70 CGIDHN CCc1ccc([C@H](C)NC[C@](C)(O)c2ccsc2)o1 ZINC000160136790 372216973 /nfs/dbraw/zinc/21/69/73/372216973.db2.gz KDJNLKJCEMDYQD-NHYWBVRUSA-N 0 3 279.405 3.462 20 70 CGIDHN COc1ccc([C@@H](C)NC[C@H]2CCC(C)(C)O2)cc1OC ZINC000160232365 372228028 /nfs/dbraw/zinc/22/80/28/372228028.db2.gz LFEDNCRQJYJLLN-TZMCWYRMSA-N 0 3 293.407 3.312 20 70 CGIDHN COc1ccccc1[C@@H](C)NC[C@H]1CCC(C)(C)O1 ZINC000160326781 372239272 /nfs/dbraw/zinc/23/92/72/372239272.db2.gz TYPLSEMPQPIWCD-CHWSQXEVSA-N 0 3 263.381 3.303 20 70 CGIDHN Cc1cccc([C@H]2CCCN2C[C@H](O)c2ccccc2)n1 ZINC000159807706 372182893 /nfs/dbraw/zinc/18/28/93/372182893.db2.gz ZOADXENTSQSYEW-MSOLQXFVSA-N 0 3 282.387 3.261 20 70 CGIDHN C[C@@H](CN[C@@H](C)c1ccco1)N1CCc2sccc2C1 ZINC000159866948 372189321 /nfs/dbraw/zinc/18/93/21/372189321.db2.gz WIRNREPQIQAGES-STQMWFEESA-N 0 3 290.432 3.439 20 70 CGIDHN CCOc1ccc([C@@H](C)N[C@@H](CC)COC)cc1OC ZINC000159975203 372200398 /nfs/dbraw/zinc/20/03/98/372200398.db2.gz HZEZJPUVOLJNFB-OCCSQVGLSA-N 0 3 281.396 3.170 20 70 CGIDHN CC[C@H](C)CN(CC)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000160527247 372255933 /nfs/dbraw/zinc/25/59/33/372255933.db2.gz NVLLLRQATRQASO-STQMWFEESA-N 0 3 287.407 3.352 20 70 CGIDHN CC[C@H](NCCC(=O)OC(C)C)c1ccc(F)cc1F ZINC000160693268 372268277 /nfs/dbraw/zinc/26/82/77/372268277.db2.gz KZQORHVPJPKGTH-AWEZNQCLSA-N 0 3 285.334 3.347 20 70 CGIDHN c1ccc([C@H](N[C@@H]2CCSC2)c2ccncc2)cc1 ZINC000218598981 392998085 /nfs/dbraw/zinc/99/80/85/392998085.db2.gz LXEBRHFPEONEQW-CVEARBPZSA-N 0 3 270.401 3.266 20 70 CGIDHN Cc1c(CN[C@H]2CCc3cc(Cl)ccc32)cnn1C ZINC000161215356 280227877 /nfs/dbraw/zinc/22/78/77/280227877.db2.gz ALEQPCJSYWDNAR-HNNXBMFYSA-N 0 3 275.783 3.159 20 70 CGIDHN CCO[C@H]1C[C@H](N[C@@H](CC)c2cnn(C)c2)C1(CC)CC ZINC000161291808 520577933 /nfs/dbraw/zinc/57/79/33/520577933.db2.gz RUYHKXVJQVEZOE-JYJNAYRXSA-N 0 3 293.455 3.445 20 70 CGIDHN COc1cc([C@@H](C)NCCc2csc(C)n2)ccc1F ZINC000218229322 138493220 /nfs/dbraw/zinc/49/32/20/138493220.db2.gz IZORTFBFBYBJLV-SNVBAGLBSA-N 0 3 294.395 3.493 20 70 CGIDHN Cc1cccc([C@@H]2CCCN2CCCOC(C)C)n1 ZINC000159779629 372179910 /nfs/dbraw/zinc/17/99/10/372179910.db2.gz GJUPFSHPUVWLCB-INIZCTEOSA-N 0 3 262.397 3.342 20 70 CGIDHN CCCn1c(C)nnc1CN1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000159682367 372168637 /nfs/dbraw/zinc/16/86/37/372168637.db2.gz GADACZKJBZBNEM-YUELXQCFSA-N 0 3 276.428 3.150 20 70 CGIDHN Cc1cccc([C@H]2CCCN2CCc2ccncc2)n1 ZINC000159753968 372175701 /nfs/dbraw/zinc/17/57/01/372175701.db2.gz CSGSNGKLUGMGBF-QGZVFWFLSA-N 0 3 267.376 3.165 20 70 CGIDHN Clc1ccccc1[C@@H]1CCCN1CCn1ccnc1 ZINC000159764728 372178587 /nfs/dbraw/zinc/17/85/87/372178587.db2.gz GPRHCIVUGOOZJE-HNNXBMFYSA-N 0 3 275.783 3.374 20 70 CGIDHN Cc1cc(C)nc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000160224429 372225921 /nfs/dbraw/zinc/22/59/21/372225921.db2.gz HIZHSRSFEGFKOK-GUYCJALGSA-N 0 3 296.418 3.026 20 70 CGIDHN C[C@@H](NC[C@H](C)N1CCc2sccc2C1)c1ccco1 ZINC000159867218 372189217 /nfs/dbraw/zinc/18/92/17/372189217.db2.gz WIRNREPQIQAGES-QWHCGFSZSA-N 0 3 290.432 3.439 20 70 CGIDHN COc1cc(CNC2(C)CCC2)c(SC)cc1OC ZINC000159919320 372195101 /nfs/dbraw/zinc/19/51/01/372195101.db2.gz WRIRKNLSVRFZTN-UHFFFAOYSA-N 0 3 281.421 3.458 20 70 CGIDHN O=c1ccc2c([nH]1)CCC[C@@H]2N[C@H]1CCc2ccccc21 ZINC000160961502 372290845 /nfs/dbraw/zinc/29/08/45/372290845.db2.gz LCWOUQUWYNHDRP-RDJZCZTQSA-N 0 3 280.371 3.029 20 70 CGIDHN COc1cccc(OCCCN[C@H](C)c2cccnc2)c1 ZINC000160993513 372292133 /nfs/dbraw/zinc/29/21/33/372292133.db2.gz BMVGFSJLSGIIMI-CQSZACIVSA-N 0 3 286.375 3.210 20 70 CGIDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCOCC(C)C ZINC000160701625 372269776 /nfs/dbraw/zinc/26/97/76/372269776.db2.gz KCZMRBLMNQKVCF-CYBMUJFWSA-N 0 3 281.444 3.270 20 70 CGIDHN CCCCCN(CCCS(=O)(=O)C(C)C)C(C)C ZINC000160789994 372275368 /nfs/dbraw/zinc/27/53/68/372275368.db2.gz QXHMSSITPQREGZ-UHFFFAOYSA-N 0 3 277.474 3.100 20 70 CGIDHN CC[C@@H](NC[C@H]1CCOC1)c1ccc(F)cc1F ZINC000160820235 372279328 /nfs/dbraw/zinc/27/93/28/372279328.db2.gz ALSMMTLMQIURQA-QMTHXVAHSA-N 0 3 255.308 3.042 20 70 CGIDHN CCCCCC[C@](C)(CC)C(=O)N1CCCNCC1 ZINC000160851714 372281620 /nfs/dbraw/zinc/28/16/20/372281620.db2.gz WPAYWKNDUSUICW-INIZCTEOSA-N 0 3 268.445 3.195 20 70 CGIDHN Cc1c(CN[C@H](C)c2ccc(C)c(C)c2)cnn1C ZINC000161311957 372316432 /nfs/dbraw/zinc/31/64/32/372316432.db2.gz HMMJTNGWEWYCQK-CYBMUJFWSA-N 0 3 257.381 3.196 20 70 CGIDHN CCOC[C@@H](O)CN[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000161343340 372318236 /nfs/dbraw/zinc/31/82/36/372318236.db2.gz ZUJRCQKRGOEDKR-KXBFYZLASA-N 0 3 299.414 3.402 20 70 CGIDHN CCOC[C@@H](O)CN[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000161343591 372318528 /nfs/dbraw/zinc/31/85/28/372318528.db2.gz ZUJRCQKRGOEDKR-BEFAXECRSA-N 0 3 299.414 3.402 20 70 CGIDHN C[C@H](NC[C@@H](CO)c1ccccc1)c1ccccc1F ZINC000161400597 372322283 /nfs/dbraw/zinc/32/22/83/372322283.db2.gz HVIFOBSGSGRACI-ZFWWWQNUSA-N 0 3 273.351 3.252 20 70 CGIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)Nc1ccc(F)c(F)c1 ZINC000159676534 542150944 /nfs/dbraw/zinc/15/09/44/542150944.db2.gz DHCWDEGVRAMRCC-NHYWBVRUSA-N 0 3 294.345 3.168 20 70 CGIDHN c1nc2ccccn2c1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000160793255 392583260 /nfs/dbraw/zinc/58/32/60/392583260.db2.gz RHUJZFDYZPYWGR-KRWDZBQOSA-N 0 3 299.418 3.258 20 70 CGIDHN CCOc1cc2c(cc1CN[C@H]1CCSC1)O[C@@H](C)C2 ZINC000218606481 392997411 /nfs/dbraw/zinc/99/74/11/392997411.db2.gz UQZHDFVWEFLYFG-FZMZJTMJSA-N 0 3 293.432 3.004 20 70 CGIDHN COc1ccccc1CCNCc1cc(C)ccc1OC ZINC000218597533 270085550 /nfs/dbraw/zinc/08/55/50/270085550.db2.gz VMTDCBNXXVTDEH-UHFFFAOYSA-N 0 3 285.387 3.345 20 70 CGIDHN C[C@@H]1CCC[C@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000160979944 321860705 /nfs/dbraw/zinc/86/07/05/321860705.db2.gz WFKYAOFPZVPQEM-ZBFHGGJFSA-N 0 3 288.435 3.304 20 70 CGIDHN C[C@H]1CCCC[C@H]1N(C)C(=O)CN(C1CC1)C1CCCC1 ZINC000216859647 329307553 /nfs/dbraw/zinc/30/75/53/329307553.db2.gz LVXQLQLYPLWLCS-WMLDXEAASA-N 0 3 292.467 3.431 20 70 CGIDHN CC(C)c1noc(CCCN[C@@H](C)c2cncc(F)c2)n1 ZINC000160811278 519901844 /nfs/dbraw/zinc/90/18/44/519901844.db2.gz PMGHHIYLUHEZAQ-NSHDSACASA-N 0 3 292.358 3.011 20 70 CGIDHN C[C@H](C(=O)N(CCN(C)C)C1CCCC1)c1cccs1 ZINC000160059416 346169994 /nfs/dbraw/zinc/16/99/94/346169994.db2.gz AIZHMBZFYQPTIH-ZDUSSCGKSA-N 0 3 294.464 3.184 20 70 CGIDHN C[C@@H](N[C@H](CCO)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000161092409 188507812 /nfs/dbraw/zinc/50/78/12/188507812.db2.gz GAHBWVZRWFAFCD-CZUORRHYSA-N 0 3 299.370 3.190 20 70 CGIDHN CC[C@@H](NCCCN1CCCC1=O)c1ccc(F)cc1F ZINC000159531867 372152711 /nfs/dbraw/zinc/15/27/11/372152711.db2.gz OTUBCPOFEGBUEI-OAHLLOKOSA-N 0 3 296.361 3.018 20 70 CGIDHN CC(C)COC[C@H](O)CNC(C)(C)c1ccc(Cl)cc1 ZINC000159590856 372159936 /nfs/dbraw/zinc/15/99/36/372159936.db2.gz VORMEBQPLPVUDS-OAHLLOKOSA-N 0 3 299.842 3.198 20 70 CGIDHN C[C@@H]1CCC[C@@H](C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000159717098 372171563 /nfs/dbraw/zinc/17/15/63/372171563.db2.gz FICARLJCDKSFRB-RHSMWYFYSA-N 0 3 288.435 3.191 20 70 CGIDHN COc1cccc([C@H](C)NC[C@@H]2CCC(C)(C)O2)c1 ZINC000160325234 372238190 /nfs/dbraw/zinc/23/81/90/372238190.db2.gz JDAFLXKXSUYLKJ-WFASDCNBSA-N 0 3 263.381 3.303 20 70 CGIDHN C[C@H]1SCCN(CCn2ccnc2)[C@H]1c1ccccc1 ZINC000159834439 372185469 /nfs/dbraw/zinc/18/54/69/372185469.db2.gz YXFMJZNZDCUPCO-GDBMZVCRSA-N 0 3 287.432 3.062 20 70 CGIDHN CCCc1ccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160422156 372245991 /nfs/dbraw/zinc/24/59/91/372245991.db2.gz HLWCDFBZXVHGLH-GUYCJALGSA-N 0 3 298.434 3.205 20 70 CGIDHN CN(Cc1ccc(Cl)cc1)CC1=CCCOC1 ZINC000160812097 372276930 /nfs/dbraw/zinc/27/69/30/372276930.db2.gz CBAXGGXCDLCREU-UHFFFAOYSA-N 0 3 251.757 3.119 20 70 CGIDHN COc1ccc(C)cc1[C@H](C)NC[C@H](CO)c1ccccc1 ZINC000161480297 372327891 /nfs/dbraw/zinc/32/78/91/372327891.db2.gz CVJXWBVQPOYOHK-DOTOQJQBSA-N 0 3 299.414 3.430 20 70 CGIDHN CC(C)(C)C[C@H](O)CNCc1cccc2c1OC(C)(C)C2 ZINC000217811214 270085495 /nfs/dbraw/zinc/08/54/95/270085495.db2.gz IOPSQBFPRJIRGA-HNNXBMFYSA-N 0 3 291.435 3.287 20 70 CGIDHN C[C@@H](NC[C@H](C)N1CCc2ccccc2C1)c1ccco1 ZINC000159820184 278353117 /nfs/dbraw/zinc/35/31/17/278353117.db2.gz HOOMTGWQLFIGGG-LSDHHAIUSA-N 0 3 284.403 3.377 20 70 CGIDHN CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000160101418 321846134 /nfs/dbraw/zinc/84/61/34/321846134.db2.gz OKRMOKXCFNFMPZ-DOTOQJQBSA-N 0 3 288.435 3.447 20 70 CGIDHN CCOc1cccc(NC(=O)c2ccc(CN(C)C)cc2)c1 ZINC000160667169 321855423 /nfs/dbraw/zinc/85/54/23/321855423.db2.gz XJWCHMIADGNUCX-UHFFFAOYSA-N 0 3 298.386 3.399 20 70 CGIDHN CC(C)OCCN[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161478530 519768116 /nfs/dbraw/zinc/76/81/16/519768116.db2.gz BORYXIDJVWDZLB-QGZVFWFLSA-N 0 3 293.407 3.170 20 70 CGIDHN CCSCc1cccc(NC(=O)[C@@H](N)CC(C)C)c1 ZINC000160421718 521718560 /nfs/dbraw/zinc/71/85/60/521718560.db2.gz DNUQDJVPLUCLFQ-AWEZNQCLSA-N 0 3 280.437 3.252 20 70 CGIDHN CN(Cc1ccc(OC(F)F)cc1)CC1=CCCOC1 ZINC000160629030 529989723 /nfs/dbraw/zinc/98/97/23/529989723.db2.gz OQKCZLNNHUPQBL-UHFFFAOYSA-N 0 3 283.318 3.067 20 70 CGIDHN CN(c1ccccc1)C1CCN(CCOCC2CC2)CC1 ZINC000159740916 530035672 /nfs/dbraw/zinc/03/56/72/530035672.db2.gz HYIUZKXQDFGZFV-UHFFFAOYSA-N 0 3 288.435 3.014 20 70 CGIDHN CN(C)Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000161084418 232248383 /nfs/dbraw/zinc/24/83/83/232248383.db2.gz SVIDDJHCLDPNRX-ZWKOTPCHSA-N 0 3 294.398 3.034 20 70 CGIDHN CC[C@@H](CC(=O)NC[C@@H]1CCCN1C)c1ccc(C)cc1 ZINC000160130150 346170202 /nfs/dbraw/zinc/17/02/02/346170202.db2.gz GCNNKGGWKZXYNK-RDJZCZTQSA-N 0 3 288.435 3.089 20 70 CGIDHN CCCCN(CCCC)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160741201 346172123 /nfs/dbraw/zinc/17/21/23/346172123.db2.gz KWXAVPBEGFHJBJ-INIZCTEOSA-N 0 3 295.471 3.083 20 70 CGIDHN Cc1cccc(C)c1CN[C@@](C)(CO)c1ccccc1 ZINC000217731413 346292034 /nfs/dbraw/zinc/29/20/34/346292034.db2.gz QVRQUAVGGTXUIA-SFHVURJKSA-N 0 3 269.388 3.301 20 70 CGIDHN CCOCCCN(C)Cc1csc(Br)c1 ZINC000159611217 372161119 /nfs/dbraw/zinc/16/11/19/372161119.db2.gz VNMGLCXHVQNHGK-UHFFFAOYSA-N 0 3 292.242 3.369 20 70 CGIDHN C[C@@H](C1CC1)N(Cc1ccnn1C)Cc1ccccc1 ZINC000159681078 372168056 /nfs/dbraw/zinc/16/80/56/372168056.db2.gz BZJJJVFNBAPWNY-AWEZNQCLSA-N 0 3 269.392 3.221 20 70 CGIDHN Cc1nc2ccccn2c1CN1[C@H](C)CCC[C@@H]1C ZINC000159774695 372178501 /nfs/dbraw/zinc/17/85/01/372178501.db2.gz FMNUPIAZWZPQGI-BETUJISGSA-N 0 3 257.381 3.406 20 70 CGIDHN CC[C@@H]1CCCCN1CCNC(=O)[C@@H](C)c1cccs1 ZINC000160247576 372230137 /nfs/dbraw/zinc/23/01/37/372230137.db2.gz COHLDJHDYPBXJG-UONOGXRCSA-N 0 3 294.464 3.232 20 70 CGIDHN CSC[C@H](CCO)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000160367113 372241145 /nfs/dbraw/zinc/24/11/45/372241145.db2.gz LVKNOJHVTZAOLE-GUYCJALGSA-N 0 3 293.476 3.330 20 70 CGIDHN COCCN(Cc1ccccc1)Cc1ccc2c[nH]nc2c1 ZINC000160441207 372247500 /nfs/dbraw/zinc/24/75/00/372247500.db2.gz XCLAQSGOFMFIHL-UHFFFAOYSA-N 0 3 295.386 3.212 20 70 CGIDHN CCC(CC)CNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000160575509 372259464 /nfs/dbraw/zinc/25/94/64/372259464.db2.gz GNIJVZQINYXWJH-MRXNPFEDSA-N 0 3 295.471 3.083 20 70 CGIDHN CCc1nc(CN[C@@H](CC2CCC2)c2ccccc2)n[nH]1 ZINC000160672279 372266976 /nfs/dbraw/zinc/26/69/76/372266976.db2.gz MKTUWHJMBQVPSW-HNNXBMFYSA-N 0 3 284.407 3.388 20 70 CGIDHN CCN1CCCC[C@@H]1CN[C@@H](C)c1ccccc1OC ZINC000161175181 372307694 /nfs/dbraw/zinc/30/76/94/372307694.db2.gz DZCYQBASBWAJEX-LSDHHAIUSA-N 0 3 276.424 3.220 20 70 CGIDHN Cc1cccc(C)c1OCCCN[C@H](C)c1cnn(C)c1 ZINC000161235082 372311280 /nfs/dbraw/zinc/31/12/80/372311280.db2.gz QMWCDUOKXWRNMR-OAHLLOKOSA-N 0 3 287.407 3.157 20 70 CGIDHN CC[C@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccccc1 ZINC000161414777 372321414 /nfs/dbraw/zinc/32/14/14/372321414.db2.gz HZSPUWKXQZLRID-GOEBONIOSA-N 0 3 295.448 3.019 20 70 CGIDHN COc1cc(CN2CCC[C@H](C)[C@@H]2C)cc(OC)c1O ZINC000217836841 376178969 /nfs/dbraw/zinc/17/89/69/376178969.db2.gz XWPQQYPVBBNLGR-RYUDHWBXSA-N 0 3 279.380 3.030 20 70 CGIDHN C[C@H]1CCC[C@H](CNCc2nc3ccccc3n2C)C1 ZINC000218133914 376184618 /nfs/dbraw/zinc/18/46/18/376184618.db2.gz RYJVBHJIKYGBKJ-KBPBESRZSA-N 0 3 271.408 3.489 20 70 CGIDHN CCCCOCCCN[C@@H]1CCCc2cccnc21 ZINC000160236830 542153845 /nfs/dbraw/zinc/15/38/45/542153845.db2.gz DZNKLKOCHKPEBA-OAHLLOKOSA-N 0 3 262.397 3.255 20 70 CGIDHN Cc1ccccc1[C@@H](CC(C)C)NCC(=O)NC(C)C ZINC000161007807 302125067 /nfs/dbraw/zinc/12/50/67/302125067.db2.gz OVBJZJATCYOURQ-MRXNPFEDSA-N 0 3 276.424 3.196 20 70 CGIDHN CCSCc1cccc(NC(=O)[C@@H]2CCCCN2)c1 ZINC000160423762 529200338 /nfs/dbraw/zinc/20/03/38/529200338.db2.gz IMHJLALADKDRSP-AWEZNQCLSA-N 0 3 278.421 3.020 20 70 CGIDHN Fc1ccc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)c(F)c1 ZINC000159616770 372160546 /nfs/dbraw/zinc/16/05/46/372160546.db2.gz GZVXXRXIBPUTRW-SNPRPXQTSA-N 0 3 279.330 3.012 20 70 CGIDHN C[C@H](N[C@@H]1CCCSC1)c1ccc(F)cc1N(C)C ZINC000159622680 372162867 /nfs/dbraw/zinc/16/28/67/372162867.db2.gz LIWNNUSKPUBIRU-WCQYABFASA-N 0 3 282.428 3.438 20 70 CGIDHN CCCCO[C@H]1C[C@H](N[C@@H](CC)c2cnn(C)c2)C1(C)C ZINC000159767116 372178193 /nfs/dbraw/zinc/17/81/93/372178193.db2.gz HODKWEBKEJUXJY-JYJNAYRXSA-N 0 3 293.455 3.445 20 70 CGIDHN CCCO[C@@H]1CCCN(Cc2ccc(C)cn2)CC1 ZINC000160108966 372213895 /nfs/dbraw/zinc/21/38/95/372213895.db2.gz IZIYMOOVEYFCII-MRXNPFEDSA-N 0 3 262.397 3.171 20 70 CGIDHN c1coc([C@H]2CCCCCN2CCn2ccnc2)c1 ZINC000159836935 372184166 /nfs/dbraw/zinc/18/41/66/372184166.db2.gz QWYOGCGNXHHIQQ-CQSZACIVSA-N 0 3 259.353 3.093 20 70 CGIDHN COc1ccc([C@H](C)N[C@@H]2CCOC(C)(C)C2)c(F)c1 ZINC000159952347 372198387 /nfs/dbraw/zinc/19/83/87/372198387.db2.gz LBGFUWGIIPWTGO-NWDGAFQWSA-N 0 3 281.371 3.443 20 70 CGIDHN CCC[C@@](C)(O)CN[C@@H](C)c1ccc(F)c(OC)c1 ZINC000218248567 376186870 /nfs/dbraw/zinc/18/68/70/376186870.db2.gz UTNIBJGCMXHQTE-XHDPSFHLSA-N 0 3 269.360 3.036 20 70 CGIDHN CCCn1nccc1CNCCc1ccc(Cl)cc1 ZINC000159976064 542152164 /nfs/dbraw/zinc/15/21/64/542152164.db2.gz MOEUDOBQCXVJPC-UHFFFAOYSA-N 0 3 277.799 3.279 20 70 CGIDHN C[C@@H](CNC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)N(C)C1CC1 ZINC000216730068 392993027 /nfs/dbraw/zinc/99/30/27/392993027.db2.gz RDJFICVOSDVNRJ-QLFBSQMISA-N 0 3 294.483 3.438 20 70 CGIDHN CCN1CCC(NC(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC000160336495 321850331 /nfs/dbraw/zinc/85/03/31/321850331.db2.gz VMYZJIIGNJJPSB-CQSZACIVSA-N 0 3 280.456 3.193 20 70 CGIDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NC[C@H]1CCCC[C@@H]1O ZINC000160566016 321853687 /nfs/dbraw/zinc/85/36/87/321853687.db2.gz YRAGODPFIURBNA-BJJXKVORSA-N 0 3 293.455 3.148 20 70 CGIDHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCOC(C)(C)C2)o1 ZINC000160553853 533746444 /nfs/dbraw/zinc/74/64/44/533746444.db2.gz ACQVNNZKJCFYLR-BZPMIXESSA-N 0 3 263.381 3.450 20 70 CGIDHN CC(C)(C)NC(=O)CN[C@H](c1cccs1)C1CCCC1 ZINC000159876553 526314246 /nfs/dbraw/zinc/31/42/46/526314246.db2.gz AXZXAGGRECDMNQ-HNNXBMFYSA-N 0 3 294.464 3.484 20 70 CGIDHN CN(Cc1ccn(C)c1)Cc1ccc(OC(F)F)cc1 ZINC000160622925 530009868 /nfs/dbraw/zinc/00/98/68/530009868.db2.gz QWRMKPCRDYNKBU-UHFFFAOYSA-N 0 3 280.318 3.259 20 70 CGIDHN C[C@@H](CSC(C)(C)C)NCc1cn2ccccc2n1 ZINC000159420573 188424904 /nfs/dbraw/zinc/42/49/04/188424904.db2.gz IYELVIIOJIIYQL-LBPRGKRZSA-N 0 3 277.437 3.344 20 70 CGIDHN Cc1ccc([C@@H](C)NC[C@@](C)(O)CCC(C)C)o1 ZINC000159431892 372142651 /nfs/dbraw/zinc/14/26/51/372142651.db2.gz GESAFYBJTQDDPM-HIFRSBDPSA-N 0 3 253.386 3.426 20 70 CGIDHN CC(C)c1ccc(C2(CNC(=O)[C@H](C)N)CCCC2)cc1 ZINC000159473035 372147273 /nfs/dbraw/zinc/14/72/73/372147273.db2.gz UQZZIGVBRFZOBA-AWEZNQCLSA-N 0 3 288.435 3.085 20 70 CGIDHN c1ccc(CN(CCOCC2CC2)C[C@@H]2CCCO2)cc1 ZINC000159548665 372154305 /nfs/dbraw/zinc/15/43/05/372154305.db2.gz TVSOHIQESYALCP-SFHVURJKSA-N 0 3 289.419 3.094 20 70 CGIDHN Fc1ccc(F)c(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159606293 372161611 /nfs/dbraw/zinc/16/16/11/372161611.db2.gz HOAVZTVNKSFAQD-CFVMTHIKSA-N 0 3 279.330 3.012 20 70 CGIDHN CN(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[C@@H]1O ZINC000159746345 372176540 /nfs/dbraw/zinc/17/65/40/372176540.db2.gz HGGDLFJNFZZSSF-JSGCOSHPSA-N 0 3 287.325 3.298 20 70 CGIDHN CC[C@H](O)[C@H]1CCCCN1CCC(=O)c1ccc(C)cc1 ZINC000159763562 372178413 /nfs/dbraw/zinc/17/84/13/372178413.db2.gz BDEHNURFLMUXKD-SJORKVTESA-N 0 3 289.419 3.193 20 70 CGIDHN C[C@@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccccc1 ZINC000160156866 372217962 /nfs/dbraw/zinc/21/79/62/372217962.db2.gz OSGKUNZRCXNAGJ-RHSMWYFYSA-N 0 3 286.419 3.271 20 70 CGIDHN COc1c(C)cc(CN(C)CCOCC2CC2)cc1C ZINC000160194563 372224035 /nfs/dbraw/zinc/22/40/35/372224035.db2.gz PMPKUCQICOLPCR-UHFFFAOYSA-N 0 3 277.408 3.170 20 70 CGIDHN CC[C@H](CN[C@H](C)c1cnn(C)c1)Oc1ccccc1F ZINC000160317250 372237234 /nfs/dbraw/zinc/23/72/34/372237234.db2.gz GABHVGVUSGSCKU-TZMCWYRMSA-N 0 3 291.370 3.067 20 70 CGIDHN C[C@](O)(CN[C@@H]1CCc2cc(F)ccc21)c1ccsc1 ZINC000159871837 372188553 /nfs/dbraw/zinc/18/85/53/372188553.db2.gz HVZAXYVJBWLNFH-CVEARBPZSA-N 0 3 291.391 3.372 20 70 CGIDHN COC(CN1Cc2ccccc2C[C@H]1c1ccccc1)OC ZINC000161289859 372314474 /nfs/dbraw/zinc/31/44/74/372314474.db2.gz GPSGXLVGFQYTAG-SFHVURJKSA-N 0 3 297.398 3.405 20 70 CGIDHN CC1(C)CCC[C@H](CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000161292429 372315100 /nfs/dbraw/zinc/31/51/00/372315100.db2.gz SOLLTVOIBUCBGQ-CQSZACIVSA-N 0 3 292.467 3.336 20 70 CGIDHN CC[C@@H](N[C@@H](CC)CO)c1cccc(Cl)c1F ZINC000161480099 372327554 /nfs/dbraw/zinc/32/75/54/372327554.db2.gz VNQCNNNUMDJNMV-JOYOIKCWSA-N 0 3 259.752 3.291 20 70 CGIDHN Cc1ccc(NC(=O)C(C)(C)N)cc1OCCC(C)C ZINC000161509434 372331319 /nfs/dbraw/zinc/33/13/19/372331319.db2.gz ZWNKKONCMSKQCK-UHFFFAOYSA-N 0 3 278.396 3.096 20 70 CGIDHN C[C@H](N[C@@H]1CCOC(C)(C)C1)c1nc2ccccc2n1C ZINC000159934786 392580398 /nfs/dbraw/zinc/58/03/98/392580398.db2.gz GRMKFTXSBIVWQK-QWHCGFSZSA-N 0 3 287.407 3.182 20 70 CGIDHN CCN1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000160336632 321850388 /nfs/dbraw/zinc/85/03/88/321850388.db2.gz WUKAHNKROUSABG-ARFHVFGLSA-N 0 3 292.467 3.193 20 70 CGIDHN CC(C)c1noc(CCCN[C@H](C)c2cncc(F)c2)n1 ZINC000160811401 519902958 /nfs/dbraw/zinc/90/29/58/519902958.db2.gz PMGHHIYLUHEZAQ-LLVKDONJSA-N 0 3 292.358 3.011 20 70 CGIDHN Cn1ncc2c1CCC[C@H]2NCc1coc2ccccc12 ZINC000161081719 527580452 /nfs/dbraw/zinc/58/04/52/527580452.db2.gz HJYPRNBVNGHDQT-OAHLLOKOSA-N 0 3 281.359 3.334 20 70 CGIDHN CC(C)[C@@H]1CCCC[C@@H]1NCc1nnc2ccccn21 ZINC000160300704 528652763 /nfs/dbraw/zinc/65/27/63/528652763.db2.gz GJICRBYSRQSLFN-KBPBESRZSA-N 0 3 272.396 3.034 20 70 CGIDHN Cc1nc2ccccn2c1CN1C[C@H](C)CC[C@@H]1C ZINC000160898383 282092221 /nfs/dbraw/zinc/09/22/21/282092221.db2.gz PYVQBHRPXWIPKT-OLZOCXBDSA-N 0 3 257.381 3.263 20 70 CGIDHN CCCN(C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000159779630 372180087 /nfs/dbraw/zinc/18/00/87/372180087.db2.gz IXFWBZKLZUWEGR-CQSZACIVSA-N 0 3 280.799 3.177 20 70 CGIDHN c1c2ccccc2oc1CN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159491221 372148846 /nfs/dbraw/zinc/14/88/46/372148846.db2.gz CXRWXOHYHUXGQJ-XIRDDKMYSA-N 0 3 283.371 3.480 20 70 CGIDHN C[C@@H](NCCCN1CCCC1=O)c1cc2ccccc2o1 ZINC000159577061 372157422 /nfs/dbraw/zinc/15/74/22/372157422.db2.gz WOUHYGCKRMHTRR-CYBMUJFWSA-N 0 3 286.375 3.096 20 70 CGIDHN CC(C)n1cc([C@@H](C)N[C@H]2CCCSC2)cn1 ZINC000159640454 372164039 /nfs/dbraw/zinc/16/40/39/372164039.db2.gz DUUCOPYVURJWQW-YPMHNXCESA-N 0 3 253.415 3.010 20 70 CGIDHN COC(=O)c1cc(CN2CC[C@@H]3CCCC[C@@H]32)oc1C ZINC000159651449 372165119 /nfs/dbraw/zinc/16/51/19/372165119.db2.gz QSZLATMCIXNXEN-WFASDCNBSA-N 0 3 277.364 3.139 20 70 CGIDHN CCSCCN1CCC[C@@H]1c1cccc(C)n1 ZINC000159702123 372172510 /nfs/dbraw/zinc/17/25/10/372172510.db2.gz QUMWNHQBQRZZNX-CQSZACIVSA-N 0 3 250.411 3.280 20 70 CGIDHN Clc1ccccc1[C@H]1CCCN1CCn1ccnc1 ZINC000159764832 372177471 /nfs/dbraw/zinc/17/74/71/372177471.db2.gz GPRHCIVUGOOZJE-OAHLLOKOSA-N 0 3 275.783 3.374 20 70 CGIDHN CC[C@H](NCCOc1cccc(Cl)c1)c1cnn(C)c1 ZINC000160250686 372229541 /nfs/dbraw/zinc/22/95/41/372229541.db2.gz YQUZFZBMKHDMAY-HNNXBMFYSA-N 0 3 293.798 3.193 20 70 CGIDHN CC(C)CCOc1ccc(NC(=O)[C@@H]2CCCCN2)cc1 ZINC000160303777 372236156 /nfs/dbraw/zinc/23/61/56/372236156.db2.gz KGWFTJFFTIFZHG-INIZCTEOSA-N 0 3 290.407 3.192 20 70 CGIDHN CSc1cc2c(cc1CNC1(C)CCC1)OCCO2 ZINC000159929055 372195053 /nfs/dbraw/zinc/19/50/53/372195053.db2.gz HZYWLOGXDBJZGM-UHFFFAOYSA-N 0 3 279.405 3.212 20 70 CGIDHN CN(Cc1ccc2c[nH]nc2c1)Cc1cccc(F)c1 ZINC000160459225 372247627 /nfs/dbraw/zinc/24/76/27/372247627.db2.gz NLQLBVGODXRLSJ-UHFFFAOYSA-N 0 3 269.323 3.334 20 70 CGIDHN CCc1cc(C)c(C(=O)NC[C@H]2CCCN2CC(C)C)o1 ZINC000160517931 372254488 /nfs/dbraw/zinc/25/44/88/372254488.db2.gz GLSQLGZNLZDZPM-CQSZACIVSA-N 0 3 292.423 3.001 20 70 CGIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)NCCc1cccs1 ZINC000160586092 372260750 /nfs/dbraw/zinc/26/07/50/372260750.db2.gz DSSMAPSGNWQYAM-KBPBESRZSA-N 0 3 296.480 3.163 20 70 CGIDHN Cc1cccc([C@@H](C)NC(=O)[C@@H](N)Cc2ccccc2)c1C ZINC000160833835 372279768 /nfs/dbraw/zinc/27/97/68/372279768.db2.gz GUQUXLVFFVUZTM-QAPCUYQASA-N 0 3 296.414 3.051 20 70 CGIDHN C[C@H](N[C@H](c1ccccc1)c1ccncc1)[C@@H]1CCCO1 ZINC000217850641 376178645 /nfs/dbraw/zinc/17/86/45/376178645.db2.gz PXJYUWPQOLKNKU-JCGIZDLHSA-N 0 3 282.387 3.328 20 70 CGIDHN C[C@H]1CCC[C@@H](CNCc2nc3ccccc3n2C)C1 ZINC000218133739 376184948 /nfs/dbraw/zinc/18/49/48/376184948.db2.gz RYJVBHJIKYGBKJ-UONOGXRCSA-N 0 3 271.408 3.489 20 70 CGIDHN C[C@@H]1CCCC[C@@H]1CNC(=O)C[C@@H](N)c1ccccc1 ZINC000218460361 376186978 /nfs/dbraw/zinc/18/69/78/376186978.db2.gz GDZOCIUQGYHYGB-FVQBIDKESA-N 0 3 274.408 3.019 20 70 CGIDHN CCC(CC)[C@@H](O)CNCc1cccc2c1OC(C)(C)C2 ZINC000217804273 270085487 /nfs/dbraw/zinc/08/54/87/270085487.db2.gz WPAFGOFSVSNEIP-INIZCTEOSA-N 0 3 291.435 3.287 20 70 CGIDHN COc1ccccc1N1CC[C@@H](N[C@@H](C)c2ccccn2)C1 ZINC000159362199 278053876 /nfs/dbraw/zinc/05/38/76/278053876.db2.gz HQQRKJRDNSEWID-LSDHHAIUSA-N 0 3 297.402 3.020 20 70 CGIDHN C[C@H](CN[C@@H](C)c1ccco1)N1CCc2ccccc2C1 ZINC000159820073 298779140 /nfs/dbraw/zinc/77/91/40/298779140.db2.gz HOOMTGWQLFIGGG-CABCVRRESA-N 0 3 284.403 3.377 20 70 CGIDHN C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000159908588 321842989 /nfs/dbraw/zinc/84/29/89/321842989.db2.gz CGHIXZSOPQFFCR-WMLDXEAASA-N 0 3 288.435 3.399 20 70 CGIDHN CN1CCC(Oc2ccc(NCc3ccccc3)cn2)CC1 ZINC000160081496 321846312 /nfs/dbraw/zinc/84/63/12/321846312.db2.gz SNJIVFOPEPJDIO-UHFFFAOYSA-N 0 3 297.402 3.167 20 70 CGIDHN COC[C@@H](C)NCc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000160836630 321858640 /nfs/dbraw/zinc/85/86/40/321858640.db2.gz XNXDBTRXWYSOFJ-ZIAGYGMSSA-N 0 3 280.412 3.020 20 70 CGIDHN CC[C@H](NCC(C)(C)O)c1cc(Cl)ccc1OC ZINC000160598498 522568365 /nfs/dbraw/zinc/56/83/65/522568365.db2.gz SEFWVFFLPZWYGP-LBPRGKRZSA-N 0 3 271.788 3.160 20 70 CGIDHN CCS[C@@H]1CC[C@H](N(C)Cc2cnc3ccccn23)C1 ZINC000160879405 521727983 /nfs/dbraw/zinc/72/79/83/521727983.db2.gz WHRSHVDZHDFYOC-DZGCQCFKSA-N 0 3 289.448 3.440 20 70 CGIDHN Cc1ccc(CN[C@@H](C)c2ccc(-n3cccn3)cc2)cn1 ZINC000161296966 572883516 /nfs/dbraw/zinc/88/35/16/572883516.db2.gz UESBJVBTPOXLJT-HNNXBMFYSA-N 0 3 292.386 3.427 20 70 CGIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)Nc1ccc(F)cc1 ZINC000159669807 346168518 /nfs/dbraw/zinc/16/85/18/346168518.db2.gz MTYRQCVJABNBFJ-WFASDCNBSA-N 0 3 276.355 3.029 20 70 CGIDHN C[C@H](O)CN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000159477916 372147735 /nfs/dbraw/zinc/14/77/35/372147735.db2.gz LGUMRMXDQZORHP-UWVGGRQHSA-N 0 3 261.287 3.079 20 70 CGIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)Nc1cccc(F)c1 ZINC000159663306 372166244 /nfs/dbraw/zinc/16/62/44/372166244.db2.gz IEOPKQYJNSEORJ-WFASDCNBSA-N 0 3 276.355 3.029 20 70 CGIDHN C[C@@H](NCCO)c1ccc(Oc2ccccc2)c(F)c1 ZINC000159688338 372169662 /nfs/dbraw/zinc/16/96/62/372169662.db2.gz PHIZKWMFRPHXAB-GFCCVEGCSA-N 0 3 275.323 3.261 20 70 CGIDHN C[C@H]1CCC[C@H](C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000159716980 372171321 /nfs/dbraw/zinc/17/13/21/372171321.db2.gz FICARLJCDKSFRB-YOEHRIQHSA-N 0 3 288.435 3.191 20 70 CGIDHN Cc1cc(Cl)cc(C)c1CN1CCC(CC(N)=O)CC1 ZINC000159730386 372173375 /nfs/dbraw/zinc/17/33/75/372173375.db2.gz CAJFXLYYFMNNHD-UHFFFAOYSA-N 0 3 294.826 3.044 20 70 CGIDHN CN(CCn1ccnc1)Cc1cc(Cl)cc(Cl)c1 ZINC000159759848 372176712 /nfs/dbraw/zinc/17/67/12/372176712.db2.gz JUVPKLDSWMRINA-UHFFFAOYSA-N 0 3 284.190 3.322 20 70 CGIDHN Cc1ccc(C(=O)CCN2CC[C@@H](OCC(C)C)C2)cc1 ZINC000160170157 372220193 /nfs/dbraw/zinc/22/01/93/372220193.db2.gz QCDOONUIRQFECK-QGZVFWFLSA-N 0 3 289.419 3.315 20 70 CGIDHN C[C@@]1(NCc2ccc(-c3ccc(F)cc3)o2)CCOC1 ZINC000160184350 372221902 /nfs/dbraw/zinc/22/19/02/372221902.db2.gz SNSBCBBZMULYDJ-MRXNPFEDSA-N 0 3 275.323 3.354 20 70 CGIDHN CSC[C@@H](CCO)N[C@@H](C)c1cc(C)sc1C ZINC000160181807 372221923 /nfs/dbraw/zinc/22/19/23/372221923.db2.gz DASFUPJPJNDKJS-CMPLNLGQSA-N 0 3 273.467 3.130 20 70 CGIDHN CC[C@H](N[C@@H](CCO)CSC)c1ccc(F)cc1F ZINC000160287750 372233645 /nfs/dbraw/zinc/23/36/45/372233645.db2.gz KQWMXDZEFGJFAN-FZMZJTMJSA-N 0 3 289.391 3.120 20 70 CGIDHN COc1cc2c(cc1CNC1(C)CCC1)O[C@H](C)C2 ZINC000159927875 372194174 /nfs/dbraw/zinc/19/41/74/372194174.db2.gz YMJJQCQGSDBXQN-LLVKDONJSA-N 0 3 261.365 3.051 20 70 CGIDHN C[C@@H](CN[C@@H](C)c1ccco1)N1CCc2ccccc21 ZINC000159927484 372194757 /nfs/dbraw/zinc/19/47/57/372194757.db2.gz NOOMFIRROKXLNW-KBPBESRZSA-N 0 3 270.376 3.381 20 70 CGIDHN C[C@H](NC[C@@H]1CCCC[C@@H]1O)c1cc(F)c(F)c(F)c1 ZINC000160533473 372255961 /nfs/dbraw/zinc/25/59/61/372255961.db2.gz VSDJBDBUBOBFBQ-BHDSKKPTSA-N 0 3 287.325 3.306 20 70 CGIDHN CCSc1ccccc1[C@H](C)NCC(C)(C)O ZINC000160610323 372263355 /nfs/dbraw/zinc/26/33/55/372263355.db2.gz YABIAYASEDYSRJ-NSHDSACASA-N 0 3 253.411 3.220 20 70 CGIDHN C[C@@H](NCC(C)(C)O)c1ccc(-c2ccccc2)o1 ZINC000160651041 372264231 /nfs/dbraw/zinc/26/42/31/372264231.db2.gz QQGSMMOMICYSBC-GFCCVEGCSA-N 0 3 259.349 3.368 20 70 CGIDHN CC[C@@H](NC[C@@H]1CCOC1)c1ccc(F)cc1F ZINC000160819961 372279546 /nfs/dbraw/zinc/27/95/46/372279546.db2.gz ALSMMTLMQIURQA-IINYFYTJSA-N 0 3 255.308 3.042 20 70 CGIDHN C[C@@H]1CCC[C@H](N(C)C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000218597367 392998130 /nfs/dbraw/zinc/99/81/30/392998130.db2.gz BPQYLHOUZKREBP-VNQPRFMTSA-N 0 3 274.408 3.114 20 70 CGIDHN CC(C)[C@H]1CCCC[C@@H]1NCc1nnc2ccccn21 ZINC000160300818 527763160 /nfs/dbraw/zinc/76/31/60/527763160.db2.gz GJICRBYSRQSLFN-KGLIPLIRSA-N 0 3 272.396 3.034 20 70 CGIDHN CC[C@H](C)NCc1c(F)cccc1Br ZINC000160260792 529180547 /nfs/dbraw/zinc/18/05/47/529180547.db2.gz WLVXJRABLYCDNW-QMMMGPOBSA-N 0 3 260.150 3.476 20 70 CGIDHN CCOCCCN(Cc1cccc(F)c1)C1CC1 ZINC000159400747 372139199 /nfs/dbraw/zinc/13/91/99/372139199.db2.gz JUNWNFARJKXVHR-UHFFFAOYSA-N 0 3 251.345 3.217 20 70 CGIDHN CCS[C@H]1CCC[C@@H](N[C@@H](C)c2cnccn2)C1 ZINC000159404390 372139764 /nfs/dbraw/zinc/13/97/64/372139764.db2.gz ICDDDQNFMNVTDQ-XQQFMLRXSA-N 0 3 265.426 3.192 20 70 CGIDHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc(-c2ccccc2)o1 ZINC000159505941 372150454 /nfs/dbraw/zinc/15/04/54/372150454.db2.gz RZCUJCREVFGCRX-HIFRSBDPSA-N 0 3 298.386 3.032 20 70 CGIDHN C[C@@H](O)CN(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000159534896 372152737 /nfs/dbraw/zinc/15/27/37/372152737.db2.gz WHCVEOSQIURADE-BDAKNGLRSA-N 0 3 262.180 3.367 20 70 CGIDHN CC[C@]1(C)C[C@@H]1C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000160132971 372216831 /nfs/dbraw/zinc/21/68/31/372216831.db2.gz DCHQENAWTSJNPV-SJLPKXTDSA-N 0 3 288.435 3.013 20 70 CGIDHN CSC[C@@H](CCO)N[C@H](C)c1cccc(Cl)c1 ZINC000160282634 372233510 /nfs/dbraw/zinc/23/35/10/372233510.db2.gz ZFVYNGHDKQWETE-ZWNOBZJWSA-N 0 3 273.829 3.105 20 70 CGIDHN CC[C@H](NCCSc1ccccc1)c1cnn(C)c1 ZINC000160511689 372253393 /nfs/dbraw/zinc/25/33/93/372253393.db2.gz IBISPDNUGMEAAP-HNNXBMFYSA-N 0 3 275.421 3.253 20 70 CGIDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NC[C@@H]1CCCC[C@@H]1O ZINC000160565758 372257630 /nfs/dbraw/zinc/25/76/30/372257630.db2.gz YRAGODPFIURBNA-NOLJZWGESA-N 0 3 293.455 3.148 20 70 CGIDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C1CCC(C)(C)CC1 ZINC000160654558 372266087 /nfs/dbraw/zinc/26/60/87/372266087.db2.gz JMPJPUMRWDLBRD-HIFRSBDPSA-N 0 3 280.456 3.001 20 70 CGIDHN CCCCOc1cccc(CN[C@@H](COC)C2CC2)c1 ZINC000160838310 372281555 /nfs/dbraw/zinc/28/15/55/372281555.db2.gz WKCSIBLVRXHVTJ-KRWDZBQOSA-N 0 3 277.408 3.380 20 70 CGIDHN C[C@@H](O)C(C)(C)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000161129071 372304052 /nfs/dbraw/zinc/30/40/52/372304052.db2.gz GCUGNPFMTGKLKV-LLVKDONJSA-N 0 3 277.339 3.335 20 70 CGIDHN CCCN(CCO)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000161213794 372309261 /nfs/dbraw/zinc/30/92/61/372309261.db2.gz QFQHMWQZLMNYBF-UHFFFAOYSA-N 0 3 279.277 3.049 20 70 CGIDHN CC(C)CCOCCNCc1cccc2cc[nH]c21 ZINC000218162040 376184703 /nfs/dbraw/zinc/18/47/03/376184703.db2.gz QEIBRJGOQHBAEF-UHFFFAOYSA-N 0 3 260.381 3.320 20 70 CGIDHN CCCCOCCCNCc1cccc(OC)c1F ZINC000160294035 542154212 /nfs/dbraw/zinc/15/42/12/542154212.db2.gz VTOAOPAZYXQKQT-UHFFFAOYSA-N 0 3 269.360 3.131 20 70 CGIDHN CC(C)Cn1ncnc1CN[C@H]1CCCC[C@@H]1C(C)C ZINC000160365327 392581768 /nfs/dbraw/zinc/58/17/68/392581768.db2.gz YFODZGJWBNVBLG-CABCVRRESA-N 0 3 278.444 3.239 20 70 CGIDHN C[C@H](N)C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000160981764 289763222 /nfs/dbraw/zinc/76/32/22/289763222.db2.gz PPAXEHUQKMYAGL-SMDDNHRTSA-N 0 3 280.799 3.131 20 70 CGIDHN C[C@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccccc1 ZINC000160156752 321847227 /nfs/dbraw/zinc/84/72/27/321847227.db2.gz OSGKUNZRCXNAGJ-WMLDXEAASA-N 0 3 286.419 3.271 20 70 CGIDHN OC[C@H](Cc1ccccc1)NCc1cc(F)cc(Cl)c1 ZINC000160936318 527608383 /nfs/dbraw/zinc/60/83/83/527608383.db2.gz HYDAFSAYCZNFFA-INIZCTEOSA-N 0 3 293.769 3.172 20 70 CGIDHN CCOCCCN(C)Cc1ccc(SC)c(OC)c1 ZINC000159815345 528657440 /nfs/dbraw/zinc/65/74/40/528657440.db2.gz CRUSHACFHQGACS-UHFFFAOYSA-N 0 3 283.437 3.276 20 70 CGIDHN CCc1ccc([C@H](CNC(=O)C2=CCCC2)N(C)C)cc1 ZINC000159653304 372164242 /nfs/dbraw/zinc/16/42/42/372164242.db2.gz VTWZDDYMENGFJM-KRWDZBQOSA-N 0 3 286.419 3.078 20 70 CGIDHN Cc1ccc(C(=O)CCN2CC[C@H](OCC(C)C)C2)cc1 ZINC000160170035 372220673 /nfs/dbraw/zinc/22/06/73/372220673.db2.gz QCDOONUIRQFECK-KRWDZBQOSA-N 0 3 289.419 3.315 20 70 CGIDHN CSC[C@@H](CCO)N[C@@H](C)c1cccc(Cl)c1 ZINC000160282507 372234051 /nfs/dbraw/zinc/23/40/51/372234051.db2.gz ZFVYNGHDKQWETE-GXFFZTMASA-N 0 3 273.829 3.105 20 70 CGIDHN CCOc1ccc([C@H](C)N[C@@H](COC)C2CC2)cc1OC ZINC000159978781 372200440 /nfs/dbraw/zinc/20/04/40/372200440.db2.gz CFSKSFKGYVVIQV-WFASDCNBSA-N 0 3 293.407 3.170 20 70 CGIDHN CC[C@H](NC[C@@H]1CCCO1)c1ccc(F)cc1F ZINC000160652047 372264606 /nfs/dbraw/zinc/26/46/06/372264606.db2.gz XRUSSEDDCHQNIE-FZMZJTMJSA-N 0 3 255.308 3.185 20 70 CGIDHN CCN(CC)CC(=O)N1CCC[C@@H]1c1cc(C)ccc1C ZINC000160686939 372268235 /nfs/dbraw/zinc/26/82/35/372268235.db2.gz YGGPRYOYHGIRGG-QGZVFWFLSA-N 0 3 288.435 3.309 20 70 CGIDHN C[C@@H](NC[C@H](C)N(C)Cc1ccccc1)c1cncs1 ZINC000160862220 372283946 /nfs/dbraw/zinc/28/39/46/372283946.db2.gz DRPAJBUKHALZNH-UONOGXRCSA-N 0 3 289.448 3.314 20 70 CGIDHN CCCN(CCO)Cc1cccc(OC2CCCC2)c1 ZINC000161202032 372309503 /nfs/dbraw/zinc/30/95/03/372309503.db2.gz GZYMBYQVXBDQNQ-UHFFFAOYSA-N 0 3 277.408 3.212 20 70 CGIDHN CC1(C)C[C@H](NCc2csc(-c3ccco3)n2)CCO1 ZINC000160434686 542153829 /nfs/dbraw/zinc/15/38/29/542153829.db2.gz NPEJGFBNWODNJS-LLVKDONJSA-N 0 3 292.404 3.450 20 70 CGIDHN OC[C@@H](Cc1ccccc1)NCc1cc(F)cc(Cl)c1 ZINC000160936415 416517720 /nfs/dbraw/zinc/51/77/20/416517720.db2.gz HYDAFSAYCZNFFA-MRXNPFEDSA-N 0 3 293.769 3.172 20 70 CGIDHN CCCN(CCN(C)C)C(=O)[C@H](CC)c1ccc(F)cc1 ZINC000160335742 321850364 /nfs/dbraw/zinc/85/03/64/321850364.db2.gz CREUOXUYSGCJNT-MRXNPFEDSA-N 0 3 294.414 3.120 20 70 CGIDHN CCSCCN(CCc1nccs1)C(C)C ZINC000159855934 529179614 /nfs/dbraw/zinc/17/96/14/529179614.db2.gz IWJNPDAGKOGTCK-UHFFFAOYSA-N 0 3 258.456 3.149 20 70 CGIDHN Oc1cccc(CN(CCOCC2CC2)CC2CC2)c1 ZINC000159912508 232243433 /nfs/dbraw/zinc/24/34/33/232243433.db2.gz RONLBRHXXCKHIE-UHFFFAOYSA-N 0 3 275.392 3.031 20 70 CGIDHN CC[C@@H](NCCCCC(=O)OC)c1ccc(F)cc1F ZINC000160832549 346172702 /nfs/dbraw/zinc/17/27/02/346172702.db2.gz MZMACCDUPWDGFU-CQSZACIVSA-N 0 3 285.334 3.349 20 70 CGIDHN CC[C@H](C)CN(C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000217140100 571850391 /nfs/dbraw/zinc/85/03/91/571850391.db2.gz LVPUREOYZCHPOE-SOUVJXGZSA-N 0 3 268.445 3.001 20 70 CGIDHN CC[C@@H](NC[C@H]1CCCO1)c1ccc(F)cc1F ZINC000160652432 188484916 /nfs/dbraw/zinc/48/49/16/188484916.db2.gz XRUSSEDDCHQNIE-BXUZGUMPSA-N 0 3 255.308 3.185 20 70 CGIDHN C[C@H]1CN(Cc2ccc(C(C)(C)C)cc2)CC[C@@H]1O ZINC000159456423 372145536 /nfs/dbraw/zinc/14/55/36/372145536.db2.gz DHFSJQIXIRMVNH-BBRMVZONSA-N 0 3 261.409 3.187 20 70 CGIDHN Cc1ccc(NC(=O)CCCn2cccc2)c(CN(C)C)c1 ZINC000159541290 372154566 /nfs/dbraw/zinc/15/45/66/372154566.db2.gz CIWHYTNJWUKCGH-UHFFFAOYSA-N 0 3 299.418 3.277 20 70 CGIDHN C[C@H](NCCO)c1ccc(Oc2ccccc2)cc1 ZINC000159704804 372171940 /nfs/dbraw/zinc/17/19/40/372171940.db2.gz HNTVWMBREBQIPY-ZDUSSCGKSA-N 0 3 257.333 3.122 20 70 CGIDHN CN(C)Cc1ccc(C(=O)N2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000160064857 372208447 /nfs/dbraw/zinc/20/84/47/372208447.db2.gz ZDDONPQMNOJSEI-KRWDZBQOSA-N 0 3 297.402 3.054 20 70 CGIDHN CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000160101005 372211993 /nfs/dbraw/zinc/21/19/93/372211993.db2.gz OKRMOKXCFNFMPZ-WBVHZDCISA-N 0 3 288.435 3.447 20 70 CGIDHN Cc1cnc(C)c(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000160234076 372227431 /nfs/dbraw/zinc/22/74/31/372227431.db2.gz QSRHQNNJDWTUEK-SUMWQHHRSA-N 0 3 296.418 3.026 20 70 CGIDHN CCN1CCC(NC(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000160336378 372238865 /nfs/dbraw/zinc/23/88/65/372238865.db2.gz VMYZJIIGNJJPSB-AWEZNQCLSA-N 0 3 280.456 3.193 20 70 CGIDHN Cc1ccc(CN(CCc2nccs2)C(C)C)nc1 ZINC000159819628 372183336 /nfs/dbraw/zinc/18/33/36/372183336.db2.gz LTMCBHZOHLUWJL-UHFFFAOYSA-N 0 3 275.421 3.300 20 70 CGIDHN COc1ccc(CN(C)Cc2ccc3c[nH]nc3c2)cc1 ZINC000159853017 372187438 /nfs/dbraw/zinc/18/74/38/372187438.db2.gz GHRKKCKRTDSZHZ-UHFFFAOYSA-N 0 3 281.359 3.204 20 70 CGIDHN COC[C@@H](NCc1c(C)nn(-c2ccccc2)c1C)C1CC1 ZINC000159874836 372191412 /nfs/dbraw/zinc/19/14/12/372191412.db2.gz COVYIUIAHDMJPH-GOSISDBHSA-N 0 3 299.418 3.004 20 70 CGIDHN C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000159908167 372192548 /nfs/dbraw/zinc/19/25/48/372192548.db2.gz CGHIXZSOPQFFCR-PBHICJAKSA-N 0 3 288.435 3.399 20 70 CGIDHN CCC[C@@H](N)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000160987680 372291981 /nfs/dbraw/zinc/29/19/81/372291981.db2.gz ADHGPSZDZTWJFU-GZMMTYOYSA-N 0 3 289.206 3.298 20 70 CGIDHN CC(C)[C@H](N)C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000160988740 372292527 /nfs/dbraw/zinc/29/25/27/372292527.db2.gz PDMJOGAOQKUYLA-PELKAZGASA-N 0 3 289.206 3.154 20 70 CGIDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(C)(C)CC1 ZINC000161058585 372298191 /nfs/dbraw/zinc/29/81/91/372298191.db2.gz DLRKLBUOUQFQGU-CVEARBPZSA-N 0 3 292.467 3.288 20 70 CGIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000160599764 372260847 /nfs/dbraw/zinc/26/08/47/372260847.db2.gz VCYLUQRVWHMGJP-RYUDHWBXSA-N 0 3 297.830 3.430 20 70 CGIDHN CCCN(CCO)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000161220975 372311665 /nfs/dbraw/zinc/31/16/65/372311665.db2.gz YGQXDIGHYJEKIR-UHFFFAOYSA-N 0 3 279.277 3.049 20 70 CGIDHN COc1cc([C@H](C)NCCc2csc(C)n2)ccc1F ZINC000218229378 376187752 /nfs/dbraw/zinc/18/77/52/376187752.db2.gz IZORTFBFBYBJLV-JTQLQIEISA-N 0 3 294.395 3.493 20 70 CGIDHN c1cc(-c2noc([C@@H]3C[C@H]4CCCC[C@H]4N3)n2)cs1 ZINC000217957050 392996308 /nfs/dbraw/zinc/99/63/08/392996308.db2.gz AIPAKINBFHEAMN-JLLWLGSASA-N 0 3 275.377 3.391 20 70 CGIDHN CC(C)Cn1ncnc1CN[C@H]1CCCC[C@H]1C(C)C ZINC000160365591 279265983 /nfs/dbraw/zinc/26/59/83/279265983.db2.gz YFODZGJWBNVBLG-GJZGRUSLSA-N 0 3 278.444 3.239 20 70 CGIDHN COc1cc(C)ccc1[C@@H](C)NCC1(CO)CCCC1 ZINC000160092526 321846264 /nfs/dbraw/zinc/84/62/64/321846264.db2.gz SXAYKRPMPPOWTL-CQSZACIVSA-N 0 3 277.408 3.207 20 70 CGIDHN CC1CCN(CCNCc2ccc(Cl)cc2F)CC1 ZINC000160792099 521013678 /nfs/dbraw/zinc/01/36/78/521013678.db2.gz CMZSCISIGUGCAZ-UHFFFAOYSA-N 0 3 284.806 3.301 20 70 CGIDHN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CCOC(C)(C)C2)o1 ZINC000160554093 534052485 /nfs/dbraw/zinc/05/24/85/534052485.db2.gz ACQVNNZKJCFYLR-YRGRVCCFSA-N 0 3 263.381 3.450 20 70 CGIDHN CC[C@H](NCCNC(=O)C1CC1)c1cccc(Cl)c1F ZINC000161494666 188530833 /nfs/dbraw/zinc/53/08/33/188530833.db2.gz DIWFJEQTKYGVGB-ZDUSSCGKSA-N 0 3 298.789 3.046 20 70 CGIDHN CCOc1cccc(CN[C@H](CC)c2cnn(C)c2)c1 ZINC000159382225 372138078 /nfs/dbraw/zinc/13/80/78/372138078.db2.gz GKPCCUCOWMAJLL-MRXNPFEDSA-N 0 3 273.380 3.060 20 70 CGIDHN CCN(CCN[C@@H](C)c1cncs1)C(=O)OC(C)(C)C ZINC000159457810 372146215 /nfs/dbraw/zinc/14/62/15/372146215.db2.gz AIKKRARVGJRXTK-NSHDSACASA-N 0 3 299.440 3.051 20 70 CGIDHN C[C@H](O)CN(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000159534772 372152568 /nfs/dbraw/zinc/15/25/68/372152568.db2.gz WHCVEOSQIURADE-IUCAKERBSA-N 0 3 262.180 3.367 20 70 CGIDHN NC(=O)CC1CCN(Cc2ccc(-c3ccccc3)o2)CC1 ZINC000159717672 372171738 /nfs/dbraw/zinc/17/17/38/372171738.db2.gz ZPMSVLDIPIOOMR-UHFFFAOYSA-N 0 3 298.386 3.034 20 70 CGIDHN CCCCO[C@@H]1C[C@@H](N[C@@H](C)c2cnccn2)C1(C)C ZINC000159779728 372179425 /nfs/dbraw/zinc/17/94/25/372179425.db2.gz VGDHVDUZIMSQFN-NWANDNLSSA-N 0 3 277.412 3.111 20 70 CGIDHN CCCCOC(=O)CCN1CCC[C@H]1c1cccc(C)n1 ZINC000160107342 372214629 /nfs/dbraw/zinc/21/46/29/372214629.db2.gz HHMMRUXCUWXARF-INIZCTEOSA-N 0 3 290.407 3.260 20 70 CGIDHN CC[C@H](O)CCNCc1ccc(F)c(C(F)(F)F)c1 ZINC000160159009 372220822 /nfs/dbraw/zinc/22/08/22/372220822.db2.gz PFHQULVSCTVCCW-JTQLQIEISA-N 0 3 279.277 3.095 20 70 CGIDHN CCCO[C@H]1CCCN(Cc2cnc3ccccn23)CC1 ZINC000160275761 372233677 /nfs/dbraw/zinc/23/36/77/372233677.db2.gz ACKFNGMXISEKHO-INIZCTEOSA-N 0 3 287.407 3.115 20 70 CGIDHN CSC[C@H](CCO)N[C@@H](C)c1cccc(Cl)c1 ZINC000160282253 372233771 /nfs/dbraw/zinc/23/37/71/372233771.db2.gz ZFVYNGHDKQWETE-GWCFXTLKSA-N 0 3 273.829 3.105 20 70 CGIDHN C[C@H](CN[C@H](C)c1ccco1)N1CCc2sccc2C1 ZINC000159867353 372188361 /nfs/dbraw/zinc/18/83/61/372188361.db2.gz WIRNREPQIQAGES-CHWSQXEVSA-N 0 3 290.432 3.439 20 70 CGIDHN C/C(=C/c1ccc(Cl)cc1)CNCC(=O)NC(C)(C)C ZINC000159938723 372196262 /nfs/dbraw/zinc/19/62/62/372196262.db2.gz OTDUOEQNTMGOBO-XFXZXTDPSA-N 0 3 294.826 3.248 20 70 CGIDHN CCCc1ccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160422043 372245721 /nfs/dbraw/zinc/24/57/21/372245721.db2.gz HLWCDFBZXVHGLH-DYVFJYSZSA-N 0 3 298.434 3.205 20 70 CGIDHN CC[C@H](NCCOCC(C)C)c1ccc2c(c1)OCCO2 ZINC000160690077 372268460 /nfs/dbraw/zinc/26/84/60/372268460.db2.gz AHUDDAXOMAEHKX-HNNXBMFYSA-N 0 3 293.407 3.171 20 70 CGIDHN CCO[C@H]1C[C@@H](N[C@@H](C)c2cnccn2)C1(CC)CC ZINC000161300691 372315655 /nfs/dbraw/zinc/31/56/55/372315655.db2.gz OYONRWVISDMMML-CFVMTHIKSA-N 0 3 277.412 3.111 20 70 CGIDHN C[C@@H](NC[C@H](CO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000161504261 372329010 /nfs/dbraw/zinc/32/90/10/372329010.db2.gz CDOAYERSMHJHGD-IUODEOHRSA-N 0 3 291.341 3.392 20 70 CGIDHN COc1cc(CN2CC[C@@H](C)C[C@@H]2C)cc(OC)c1O ZINC000217843230 376180367 /nfs/dbraw/zinc/18/03/67/376180367.db2.gz SOYNPRXTWNNQBS-NEPJUHHUSA-N 0 3 279.380 3.030 20 70 CGIDHN CCCn1nccc1CNCCSc1ccccc1 ZINC000160105597 542153065 /nfs/dbraw/zinc/15/30/65/542153065.db2.gz CGKWEUGCVWNJPN-UHFFFAOYSA-N 0 3 275.421 3.175 20 70 CGIDHN C[C@@H](NCCN(C)Cc1ccc(F)cc1)c1cncs1 ZINC000160119459 533392573 /nfs/dbraw/zinc/39/25/73/533392573.db2.gz TUCMGRHCYHPCGQ-GFCCVEGCSA-N 0 3 293.411 3.065 20 70 CGIDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2cnccn2)C1(CC)CC ZINC000161300925 286288568 /nfs/dbraw/zinc/28/85/68/286288568.db2.gz OYONRWVISDMMML-NWANDNLSSA-N 0 3 277.412 3.111 20 70 CGIDHN COC[C@H](N[C@@H]1CCOc2c(Cl)cccc21)C1CC1 ZINC000161293047 277599060 /nfs/dbraw/zinc/59/90/60/277599060.db2.gz YIKFNCQHBLIJKL-KGLIPLIRSA-N 0 3 281.783 3.178 20 70 CGIDHN C[C@@H](N[C@@H]1CCC[C@@H](C)C1)c1nnc2n1CCCCC2 ZINC000218152344 277629244 /nfs/dbraw/zinc/62/92/44/277629244.db2.gz MPMRNQLZVMJLRK-MGPQQGTHSA-N 0 3 276.428 3.234 20 70 CGIDHN COC[C@H](C)NCc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC000160836508 321858635 /nfs/dbraw/zinc/85/86/35/321858635.db2.gz XNXDBTRXWYSOFJ-KBPBESRZSA-N 0 3 280.412 3.020 20 70 CGIDHN C[C@H](CN[C@@H](C)c1ccco1)N(C)Cc1ccccc1 ZINC000160876169 524495864 /nfs/dbraw/zinc/49/58/64/524495864.db2.gz LCEKSWFGMVROKQ-CABCVRRESA-N 0 3 272.392 3.451 20 70 CGIDHN Cc1ncc([C@H](C)NCc2ccc(CN(C)C)cc2)c(C)n1 ZINC000160866080 527309666 /nfs/dbraw/zinc/30/96/66/527309666.db2.gz JBZUFTRZJNZQNS-ZDUSSCGKSA-N 0 3 298.434 3.006 20 70 CGIDHN Cc1nccn1CCCCN(C)[C@H](C)c1ccco1 ZINC000161502247 527393380 /nfs/dbraw/zinc/39/33/80/527393380.db2.gz NEJWZGIWLJCJCI-CYBMUJFWSA-N 0 3 261.369 3.258 20 70 CGIDHN CCOCCCN[C@@H](CC)c1ccc(F)cc1F ZINC000160656280 346171285 /nfs/dbraw/zinc/17/12/85/346171285.db2.gz OVXQJZFUYFIKJW-AWEZNQCLSA-N 0 3 257.324 3.432 20 70 CGIDHN C[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)c1ccccc1 ZINC000217937240 346291953 /nfs/dbraw/zinc/29/19/53/346291953.db2.gz VVELMJUFCUENGZ-YOEHRIQHSA-N 0 3 286.419 3.271 20 70 CGIDHN CC(C)(C)c1nsc(N[C@H]2CCN(C3CCCC3)C2)n1 ZINC000159369071 372136201 /nfs/dbraw/zinc/13/62/01/372136201.db2.gz GYGLDMCYLZBXAM-NSHDSACASA-N 0 3 294.468 3.264 20 70 CGIDHN C[C@H](N[C@H]1CCCSC1)c1ccc(F)cc1N(C)C ZINC000159622932 372162388 /nfs/dbraw/zinc/16/23/88/372162388.db2.gz LIWNNUSKPUBIRU-AAEUAGOBSA-N 0 3 282.428 3.438 20 70 CGIDHN CC(C)C[C@H](N)C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000159624633 372162904 /nfs/dbraw/zinc/16/29/04/372162904.db2.gz SLORBJDVEBLQOO-ZANVPECISA-N 0 3 286.778 3.030 20 70 CGIDHN CCCCO[C@@H]1C[C@@H](N[C@@H](CC)c2cnn(C)c2)C1(C)C ZINC000159767219 372178791 /nfs/dbraw/zinc/17/87/91/372178791.db2.gz HODKWEBKEJUXJY-ARFHVFGLSA-N 0 3 293.455 3.445 20 70 CGIDHN CN(C)CCN(C(=O)CCC(C)(C)C)C1CCCC1 ZINC000160057697 372209055 /nfs/dbraw/zinc/20/90/55/372209055.db2.gz PPXFJPFGLOEJIH-UHFFFAOYSA-N 0 3 268.445 3.146 20 70 CGIDHN CC[C@@]1(C)C[C@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000160166192 372220890 /nfs/dbraw/zinc/22/08/90/372220890.db2.gz NBCCMSJCMOHLHE-WMZOPIPTSA-N 0 3 288.435 3.061 20 70 CGIDHN CSC[C@H](CCO)N[C@@H](C)c1cc(C)sc1C ZINC000160181521 372221997 /nfs/dbraw/zinc/22/19/97/372221997.db2.gz DASFUPJPJNDKJS-JQWIXIFHSA-N 0 3 273.467 3.130 20 70 CGIDHN Fc1cccc(Br)c1CNCC1CC1 ZINC000160260345 372231159 /nfs/dbraw/zinc/23/11/59/372231159.db2.gz FEQJHVSDOKJNKA-UHFFFAOYSA-N 0 3 258.134 3.088 20 70 CGIDHN C[C@H](CN[C@@H](C)c1ccco1)N1CCc2sccc2C1 ZINC000159867089 372189444 /nfs/dbraw/zinc/18/94/44/372189444.db2.gz WIRNREPQIQAGES-OLZOCXBDSA-N 0 3 290.432 3.439 20 70 CGIDHN CCn1cc([C@H](C)NC[C@@H](C)N2CCc3ccccc32)cn1 ZINC000159924550 372194993 /nfs/dbraw/zinc/19/49/93/372194993.db2.gz PYRBMQQHZQPAJL-CABCVRRESA-N 0 3 298.434 3.005 20 70 CGIDHN CCC[C@H](N)C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000160987767 372293037 /nfs/dbraw/zinc/29/30/37/372293037.db2.gz ADHGPSZDZTWJFU-KCJUWKMLSA-N 0 3 289.206 3.298 20 70 CGIDHN CCCN(Cc1c[nH]c(C(=O)OC)c1)Cc1ccccc1 ZINC000160479481 372251920 /nfs/dbraw/zinc/25/19/20/372251920.db2.gz DVUQJPWDTYXTNZ-UHFFFAOYSA-N 0 3 286.375 3.214 20 70 CGIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)NCc1cccs1 ZINC000160546662 372256017 /nfs/dbraw/zinc/25/60/17/372256017.db2.gz GONRVGPANQWDLT-STQMWFEESA-N 0 3 282.453 3.121 20 70 CGIDHN CCn1cc([C@@H](C)N[C@H](CCCO)c2ccccc2)cn1 ZINC000160812967 372277347 /nfs/dbraw/zinc/27/73/47/372277347.db2.gz JMHOHANQQXIYOV-RHSMWYFYSA-N 0 3 287.407 3.067 20 70 CGIDHN CCCN(CCO)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000161236278 372311066 /nfs/dbraw/zinc/31/10/66/372311066.db2.gz HOTOZIUPTZWPTG-UHFFFAOYSA-N 0 3 293.741 3.146 20 70 CGIDHN CCCN(CCO)Cc1ccc(C(C)(C)C)s1 ZINC000161220690 372311516 /nfs/dbraw/zinc/31/15/16/372311516.db2.gz CYHVHOTVOOKYIT-UHFFFAOYSA-N 0 3 255.427 3.250 20 70 CGIDHN Cc1ccccc1CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161493302 372329595 /nfs/dbraw/zinc/32/95/95/372329595.db2.gz OHDZUEQXDKUUPZ-CQSZACIVSA-N 0 3 287.325 3.130 20 70 CGIDHN COc1ccc(OC)c([C@H](C)N[C@H]2CCCC[C@H]2OC)c1 ZINC000218189650 376185354 /nfs/dbraw/zinc/18/53/54/376185354.db2.gz LCQOKWZYZBZUCG-YLQAJVPDSA-N 0 3 293.407 3.312 20 70 CGIDHN C[C@H]1CCC[C@@H](CNCc2cn3ccccc3n2)C1 ZINC000218237437 376187102 /nfs/dbraw/zinc/18/71/02/376187102.db2.gz VOCDKRXHKMFZDT-UONOGXRCSA-N 0 3 257.381 3.250 20 70 CGIDHN COc1cccc(Cl)c1CN[C@H]1CCOC(C)(C)C1 ZINC000159778687 533561289 /nfs/dbraw/zinc/56/12/89/533561289.db2.gz GNPQELNBHNZHDZ-NSHDSACASA-N 0 3 283.799 3.396 20 70 CGIDHN CC[C@H](c1ccc(F)cc1)N1CCC[C@@H](CNC(C)=O)C1 ZINC000217237935 392994531 /nfs/dbraw/zinc/99/45/31/392994531.db2.gz GKTANAVMOBXBAI-WMLDXEAASA-N 0 3 292.398 3.125 20 70 CGIDHN CCOc1cc2c(cc1CN[C@@H]1CCSC1)O[C@H](C)C2 ZINC000218606558 392997918 /nfs/dbraw/zinc/99/79/18/392997918.db2.gz UQZHDFVWEFLYFG-BXUZGUMPSA-N 0 3 293.432 3.004 20 70 CGIDHN C[C@@H](N[C@@H]1CCCSC1)c1ccc(F)cc1N(C)C ZINC000159622777 287058506 /nfs/dbraw/zinc/05/85/06/287058506.db2.gz LIWNNUSKPUBIRU-DGCLKSJQSA-N 0 3 282.428 3.438 20 70 CGIDHN CN(Cc1ccc(Cl)cc1)C[C@H](O)Cc1ccccc1 ZINC000218686554 270085392 /nfs/dbraw/zinc/08/53/92/270085392.db2.gz FROUJDKLAZRKEU-QGZVFWFLSA-N 0 3 289.806 3.375 20 70 CGIDHN CN(Cc1cccc(Cl)c1)C[C@H](O)Cc1ccccc1 ZINC000218689138 270085630 /nfs/dbraw/zinc/08/56/30/270085630.db2.gz DKNODIFYNXGCHE-QGZVFWFLSA-N 0 3 289.806 3.375 20 70 CGIDHN COc1cc(C)ccc1[C@H](C)NCC1(CO)CCCC1 ZINC000160092667 321846024 /nfs/dbraw/zinc/84/60/24/321846024.db2.gz SXAYKRPMPPOWTL-AWEZNQCLSA-N 0 3 277.408 3.207 20 70 CGIDHN C[C@H]1CCCC[C@@H]1N(C)C(=O)CN(C1CC1)C1CCCC1 ZINC000216859600 329307486 /nfs/dbraw/zinc/30/74/86/329307486.db2.gz LVXQLQLYPLWLCS-YOEHRIQHSA-N 0 3 292.467 3.431 20 70 CGIDHN COC(CN1CCC[C@@H]1c1ccc(C)c(C)c1)OC ZINC000160697510 522533733 /nfs/dbraw/zinc/53/37/33/522533733.db2.gz JJHIULHVUKWYPE-OAHLLOKOSA-N 0 3 263.381 3.059 20 70 CGIDHN COC[C@@H](C)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000160749716 522248950 /nfs/dbraw/zinc/24/89/50/522248950.db2.gz QTWNCBJVPZUDCP-CQSZACIVSA-N 0 3 287.407 3.120 20 70 CGIDHN COc1ccccc1CN(CCO)CCC1CCCC1 ZINC000160484466 524441128 /nfs/dbraw/zinc/44/11/28/524441128.db2.gz NQNUAQIBDVYQGH-UHFFFAOYSA-N 0 3 277.408 3.070 20 70 CGIDHN CSC[C@@H](CCO)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000160367346 525641224 /nfs/dbraw/zinc/64/12/24/525641224.db2.gz LVKNOJHVTZAOLE-SUMWQHHRSA-N 0 3 293.476 3.330 20 70 CGIDHN CC[C@H](CC(=O)NC[C@@H]1CCCN1C)c1ccc(C)cc1 ZINC000160130293 346170045 /nfs/dbraw/zinc/17/00/45/346170045.db2.gz GCNNKGGWKZXYNK-WBVHZDCISA-N 0 3 288.435 3.089 20 70 CGIDHN CC[C@@H](O)[C@@H]1CCCCN1CCC(=O)c1ccc(C)cc1 ZINC000159763445 372177945 /nfs/dbraw/zinc/17/79/45/372177945.db2.gz BDEHNURFLMUXKD-DLBZAZTESA-N 0 3 289.419 3.193 20 70 CGIDHN CC[C@@H](O)[C@H]1CCCCN1CCC(=O)c1ccc(C)cc1 ZINC000159763699 372178454 /nfs/dbraw/zinc/17/84/54/372178454.db2.gz BDEHNURFLMUXKD-IAGOWNOFSA-N 0 3 289.419 3.193 20 70 CGIDHN CCOC(=O)CCCCN1CCC[C@@H]1c1cccc(C)n1 ZINC000160064298 372208764 /nfs/dbraw/zinc/20/87/64/372208764.db2.gz MSACRAGSMSXECY-MRXNPFEDSA-N 0 3 290.407 3.260 20 70 CGIDHN COC[C@@H](Cc1ccccc1)N[C@@H](C)c1ccco1 ZINC000160196944 372223772 /nfs/dbraw/zinc/22/37/72/372223772.db2.gz PSYFVYHHRYWTNH-DZGCQCFKSA-N 0 3 259.349 3.188 20 70 CGIDHN CCCc1ccc([C@H](C)N[C@H](CCO)CSC)cc1 ZINC000160252292 372229624 /nfs/dbraw/zinc/22/96/24/372229624.db2.gz KZJXDDJRNJNGKW-XJKSGUPXSA-N 0 3 281.465 3.404 20 70 CGIDHN CC[C@H](CN[C@@H](C)c1cnccn1)Oc1ccccc1F ZINC000160315952 372236949 /nfs/dbraw/zinc/23/69/49/372236949.db2.gz VRFRAQIAKUBHER-QWHCGFSZSA-N 0 3 289.354 3.124 20 70 CGIDHN CSC[C@@H](CCO)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000160323886 372238163 /nfs/dbraw/zinc/23/81/63/372238163.db2.gz WAJUSBUXIMPIAP-UKRRQHHQSA-N 0 3 297.464 3.238 20 70 CGIDHN CC(C)N(CCOc1ccccc1)CCc1nccs1 ZINC000159947158 372196766 /nfs/dbraw/zinc/19/67/66/372196766.db2.gz UBAUIAJRNIPPRV-UHFFFAOYSA-N 0 3 290.432 3.475 20 70 CGIDHN CC(C)c1nsc(N2CCC[C@@H]2CN2CCCCC2)n1 ZINC000160429543 372245878 /nfs/dbraw/zinc/24/58/78/372245878.db2.gz LJHROYXGSCMPOL-CYBMUJFWSA-N 0 3 294.468 3.116 20 70 CGIDHN CCCN(Cc1c(C)n[nH]c1C)Cc1ccccc1 ZINC000160482056 372251585 /nfs/dbraw/zinc/25/15/85/372251585.db2.gz XDAXFUUTXCUNFL-UHFFFAOYSA-N 0 3 257.381 3.439 20 70 CGIDHN CCN(CC)CC(=O)N1CCC[C@H]1c1cc(C)ccc1C ZINC000160687054 372268287 /nfs/dbraw/zinc/26/82/87/372268287.db2.gz YGGPRYOYHGIRGG-KRWDZBQOSA-N 0 3 288.435 3.309 20 70 CGIDHN Cc1c([C@H](C)NCc2cccc3cc[nH]c32)cnn1C ZINC000218105210 376184599 /nfs/dbraw/zinc/18/45/99/376184599.db2.gz LCOJIKICDCLQSI-NSHDSACASA-N 0 3 268.364 3.061 20 70 CGIDHN C[C@@H](N[C@H]1CCCc2cc(F)ccc21)C(=O)NC(C)(C)C ZINC000159539971 278383305 /nfs/dbraw/zinc/38/33/05/278383305.db2.gz RGAKDKWHGVPGOX-ABAIWWIYSA-N 0 3 292.398 3.096 20 70 CGIDHN CC1(C(=O)NCc2ccccc2CN2CCCCC2)CC1 ZINC000159853169 321841914 /nfs/dbraw/zinc/84/19/14/321841914.db2.gz RJBMAYUBASKSLL-UHFFFAOYSA-N 0 3 286.419 3.089 20 70 CGIDHN C[C@@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccncc1 ZINC000159908891 321843182 /nfs/dbraw/zinc/84/31/82/321843182.db2.gz GZSCWVVCGPBCPX-UONOGXRCSA-N 0 3 293.374 3.074 20 70 CGIDHN CC[C@H](N)C(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C ZINC000160078839 321846352 /nfs/dbraw/zinc/84/63/52/321846352.db2.gz JDDJQUSKQSJOMC-UONOGXRCSA-N 0 3 282.815 3.233 20 70 CGIDHN CN(C)[C@@H](CNCc1ccc(Cl)cc1F)c1ccco1 ZINC000160658539 522030377 /nfs/dbraw/zinc/03/03/77/522030377.db2.gz VATJBBUBVFDUNU-AWEZNQCLSA-N 0 3 296.773 3.465 20 70 CGIDHN CC[C@H](NCCOc1cc(C)cc(C)c1)c1cnn(C)c1 ZINC000161239740 522597007 /nfs/dbraw/zinc/59/70/07/522597007.db2.gz XQLIEQHRSMJVQV-KRWDZBQOSA-N 0 3 287.407 3.157 20 70 CGIDHN CC[C@H](NCCOC[C@@H]1CCCO1)c1ccc(F)cc1F ZINC000160931095 346173058 /nfs/dbraw/zinc/17/30/58/346173058.db2.gz LOFGHUJZBDEBGO-BBRMVZONSA-N 0 3 299.361 3.201 20 70 CGIDHN CC[C@@H](NCCOC[C@@H]1CCCO1)c1ccc(F)cc1F ZINC000160931228 346173612 /nfs/dbraw/zinc/17/36/12/346173612.db2.gz LOFGHUJZBDEBGO-XJKSGUPXSA-N 0 3 299.361 3.201 20 70 CGIDHN CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](N)c1ccccc1 ZINC000217819805 189711895 /nfs/dbraw/zinc/71/18/95/189711895.db2.gz STJPSRULMRQBFB-BMFZPTHFSA-N 0 3 274.408 3.162 20 70 CGIDHN CN(Cc1ccccc1)CC(C)(C)NCc1ccco1 ZINC000159367593 372136027 /nfs/dbraw/zinc/13/60/27/372136027.db2.gz BNOOWAQHIVRJET-UHFFFAOYSA-N 0 3 272.392 3.280 20 70 CGIDHN CNCC(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000159398485 372140064 /nfs/dbraw/zinc/14/00/64/372140064.db2.gz BMAIDWOLKGQEGB-UHFFFAOYSA-N 0 3 292.448 3.410 20 70 CGIDHN CC(C)n1cc([C@H](C)N[C@H]2CCCSC2)cn1 ZINC000159640587 372165323 /nfs/dbraw/zinc/16/53/23/372165323.db2.gz DUUCOPYVURJWQW-AAEUAGOBSA-N 0 3 253.415 3.010 20 70 CGIDHN COc1cccc([C@H](C)NC[C@H]2CCC(C)(C)O2)c1 ZINC000160325324 372237222 /nfs/dbraw/zinc/23/72/22/372237222.db2.gz JDAFLXKXSUYLKJ-SWLSCSKDSA-N 0 3 263.381 3.303 20 70 CGIDHN CC[C@H](CN[C@H](C)c1cnccn1)Oc1ccccc1F ZINC000160316233 372237682 /nfs/dbraw/zinc/23/76/82/372237682.db2.gz VRFRAQIAKUBHER-CHWSQXEVSA-N 0 3 289.354 3.124 20 70 CGIDHN Cc1cccc2nc(CN[C@@H](C)C3CCCC3)cn21 ZINC000160339670 372239220 /nfs/dbraw/zinc/23/92/20/372239220.db2.gz MWOFTFBTOWHZSQ-ZDUSSCGKSA-N 0 3 257.381 3.311 20 70 CGIDHN Cc1cccc([C@@H]2CCCN2C[C@H](O)c2ccccc2)n1 ZINC000159807623 372183245 /nfs/dbraw/zinc/18/32/45/372183245.db2.gz ZOADXENTSQSYEW-ROUUACIJSA-N 0 3 282.387 3.261 20 70 CGIDHN O=C(NCc1ccccc1CN1CCCCC1)C1=CCCC1 ZINC000159853555 372186851 /nfs/dbraw/zinc/18/68/51/372186851.db2.gz YYTKPWMUKYWKQH-UHFFFAOYSA-N 0 3 298.430 3.399 20 70 CGIDHN C[C@@H]1CCCN1Cc1nc2ccc(Br)cc2[nH]1 ZINC000159916298 372192337 /nfs/dbraw/zinc/19/23/37/372192337.db2.gz VMBBTFJKJTZVOU-SECBINFHSA-N 0 3 294.196 3.310 20 70 CGIDHN CN(CC1CCN(C)CC1)C(=O)C1CCC(C)(C)CC1 ZINC000160016843 372204871 /nfs/dbraw/zinc/20/48/71/372204871.db2.gz LFQAAQAZBKPJCI-UHFFFAOYSA-N 0 3 280.456 3.003 20 70 CGIDHN CC(C)Sc1ccccc1NC(=O)CNCC1CC1 ZINC000160347810 372241282 /nfs/dbraw/zinc/24/12/82/372241282.db2.gz MKUSAWMRBSZWGB-UHFFFAOYSA-N 0 3 278.421 3.125 20 70 CGIDHN CCCN(Cc1cnn(CC)c1)Cc1ccccc1 ZINC000160475580 372250134 /nfs/dbraw/zinc/25/01/34/372250134.db2.gz VMLFSMWINGYHRZ-UHFFFAOYSA-N 0 3 257.381 3.315 20 70 CGIDHN C[C@H](NC[C@H](CO)c1ccccc1)c1cccnc1Cl ZINC000161466246 372327648 /nfs/dbraw/zinc/32/76/48/372327648.db2.gz UCCNKIAOSYZKIJ-GXTWGEPZSA-N 0 3 290.794 3.162 20 70 CGIDHN CCC[C@](C)(O)CN[C@H](C)c1ccc(F)c(OC)c1 ZINC000218248758 376187584 /nfs/dbraw/zinc/18/75/84/376187584.db2.gz UTNIBJGCMXHQTE-ABAIWWIYSA-N 0 3 269.360 3.036 20 70 CGIDHN O[C@H]1CCCC[C@@H]1CN[C@H]1CCCOc2ccc(F)cc21 ZINC000160495471 285362094 /nfs/dbraw/zinc/36/20/94/285362094.db2.gz YVSVQXVSIQVRRO-KCXAZCMYSA-N 0 3 293.382 3.180 20 70 CGIDHN CCOCCCN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000159550347 286056351 /nfs/dbraw/zinc/05/63/51/286056351.db2.gz GOKBEABJTDMSIE-KRWDZBQOSA-N 0 3 277.408 3.094 20 70 CGIDHN CCOC[C@@H](C)NCCOc1cccc(C(F)(F)F)c1 ZINC000160495957 520076416 /nfs/dbraw/zinc/07/64/16/520076416.db2.gz PAAJLFDTDRYNSS-LLVKDONJSA-N 0 3 291.313 3.099 20 70 CGIDHN Cc1cc(C)n(CCCNCc2ccc(Cl)cc2F)n1 ZINC000160897742 524524372 /nfs/dbraw/zinc/52/43/72/524524372.db2.gz STUHZPRCFWMFPH-UHFFFAOYSA-N 0 3 295.789 3.472 20 70 CGIDHN O=C(CC/C=C/c1ccccc1)N[C@@H]1CCN(CC2CC2)C1 ZINC000159487462 346167683 /nfs/dbraw/zinc/16/76/83/346167683.db2.gz FCUXPFYVHLLQLR-SBLNNXNXSA-N 0 3 298.430 3.081 20 70 CGIDHN CCc1ccccc1NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159639951 346168765 /nfs/dbraw/zinc/16/87/65/346168765.db2.gz WGYOLTYXGCCTLZ-RDJZCZTQSA-N 0 3 286.419 3.452 20 70 CGIDHN CCCCN(CCCC)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160741056 346172483 /nfs/dbraw/zinc/17/24/83/346172483.db2.gz KWXAVPBEGFHJBJ-MRXNPFEDSA-N 0 3 295.471 3.083 20 70 CGIDHN CC(C)(C)c1nsc(N[C@@H]2CCN(C3CCCC3)C2)n1 ZINC000159368942 372136001 /nfs/dbraw/zinc/13/60/01/372136001.db2.gz GYGLDMCYLZBXAM-LLVKDONJSA-N 0 3 294.468 3.264 20 70 CGIDHN C[C@H]1Cc2ccc(F)cc2[C@@H]1NCCOCC(F)(F)F ZINC000159376867 372137326 /nfs/dbraw/zinc/13/73/26/372137326.db2.gz DXPCVFWZIMOAOI-TVQRCGJNSA-N 0 3 291.288 3.228 20 70 CGIDHN Cc1ccccc1[C@@H](NC(=O)[C@@H](C)N)[C@H]1CCC[C@H](C)C1 ZINC000159687983 372169994 /nfs/dbraw/zinc/16/99/94/372169994.db2.gz FOTRFUYDDSBBKO-GUSZCTEKSA-N 0 3 288.435 3.326 20 70 CGIDHN NC1(C(=O)N[C@H]2CCC[C@H]2c2ccccc2)CCCCC1 ZINC000159723552 372173687 /nfs/dbraw/zinc/17/36/87/372173687.db2.gz MYLYGCXPLDNEJD-HOTGVXAUSA-N 0 3 286.419 3.101 20 70 CGIDHN CC[C@@H](O)CCNCc1ccc(F)c(C(F)(F)F)c1 ZINC000160159138 372219866 /nfs/dbraw/zinc/21/98/66/372219866.db2.gz PFHQULVSCTVCCW-SNVBAGLBSA-N 0 3 279.277 3.095 20 70 CGIDHN COc1ccc(CN(C)Cc2cccc3c[nH]nc32)cc1 ZINC000159857426 372187053 /nfs/dbraw/zinc/18/70/53/372187053.db2.gz BZWNYOCGFKXSLC-UHFFFAOYSA-N 0 3 281.359 3.204 20 70 CGIDHN CN(CCSc1ccccc1F)C[C@@H]1CCC[C@@H]1O ZINC000159840574 372187388 /nfs/dbraw/zinc/18/73/88/372187388.db2.gz PDGVGYQRFLYYFA-JSGCOSHPSA-N 0 3 283.412 3.011 20 70 CGIDHN Cc1ccc(OC(F)F)c([C@@H](C)NCC(C)(C)O)c1 ZINC000160604708 372261531 /nfs/dbraw/zinc/26/15/31/372261531.db2.gz PUNHSQUMXIOFAK-SNVBAGLBSA-N 0 3 273.323 3.018 20 70 CGIDHN C[C@H](NCC(C)(C)O)c1ccc(-c2ccccc2)o1 ZINC000160650918 372264741 /nfs/dbraw/zinc/26/47/41/372264741.db2.gz QQGSMMOMICYSBC-LBPRGKRZSA-N 0 3 259.349 3.368 20 70 CGIDHN CCc1nc(CN[C@H](CC2CCC2)c2ccccc2)n[nH]1 ZINC000160672409 372266024 /nfs/dbraw/zinc/26/60/24/372266024.db2.gz MKTUWHJMBQVPSW-OAHLLOKOSA-N 0 3 284.407 3.388 20 70 CGIDHN CCO[C@H]1C[C@H](N[C@H](CC)c2cnn(C)c2)C1(CC)CC ZINC000161291926 372314736 /nfs/dbraw/zinc/31/47/36/372314736.db2.gz RUYHKXVJQVEZOE-PMPSAXMXSA-N 0 3 293.455 3.445 20 70 CGIDHN COc1ccc(OC)c(CCN[C@H](C)c2ccco2)c1 ZINC000161426510 372323108 /nfs/dbraw/zinc/32/31/08/372323108.db2.gz XZZKJKKQGFVCJR-GFCCVEGCSA-N 0 3 275.348 3.190 20 70 CGIDHN C[C@@H](NC[C@@H](CO)c1ccccc1)c1cccnc1Cl ZINC000161466132 372327807 /nfs/dbraw/zinc/32/78/07/372327807.db2.gz UCCNKIAOSYZKIJ-OCCSQVGLSA-N 0 3 290.794 3.162 20 70 CGIDHN CCCCOCCCN[C@H]1CCCc2cccnc21 ZINC000160236968 542153864 /nfs/dbraw/zinc/15/38/64/542153864.db2.gz DZNKLKOCHKPEBA-HNNXBMFYSA-N 0 3 262.397 3.255 20 70 CGIDHN CCC1(CC)[C@@H](N[C@@H](C)c2cccnc2)C[C@@H]1OC ZINC000160109861 278631611 /nfs/dbraw/zinc/63/16/11/278631611.db2.gz PYSKPZJXSUEWBK-QEJZJMRPSA-N 0 3 262.397 3.326 20 70 CGIDHN COc1ccc2c(c1)[C@H](N[C@@H]1CCCSC1)CCCO2 ZINC000159531135 295275384 /nfs/dbraw/zinc/27/53/84/295275384.db2.gz VGDPNMCNYTXHBR-IUODEOHRSA-N 0 3 293.432 3.394 20 70 CGIDHN OCCN[C@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000159716504 321838939 /nfs/dbraw/zinc/83/89/39/321838939.db2.gz YUYLHZAZPKFSTB-MRXNPFEDSA-N 0 3 293.769 3.345 20 70 CGIDHN COc1ccccc1CN(C)CCCCn1ccnc1C ZINC000161280244 524434295 /nfs/dbraw/zinc/43/42/95/524434295.db2.gz LULHCWDUVAFXJA-UHFFFAOYSA-N 0 3 287.407 3.112 20 70 CGIDHN Cc1ccc2nc(CN3CC[C@@H]4CCCC[C@@H]43)cn2c1 ZINC000160564501 346171603 /nfs/dbraw/zinc/17/16/03/346171603.db2.gz WHVHOVAVVOXSCQ-HOCLYGCPSA-N 0 3 269.392 3.407 20 70 CGIDHN C[C@@H](NC(=O)[C@H]1CCCN1C1CCCC1)c1ccccc1 ZINC000217937499 346291573 /nfs/dbraw/zinc/29/15/73/346291573.db2.gz VVELMJUFCUENGZ-RHSMWYFYSA-N 0 3 286.419 3.271 20 70 CGIDHN Cc1nc(CCN[C@@H](C)c2ccccn2)sc1C ZINC000159387896 372138209 /nfs/dbraw/zinc/13/82/09/372138209.db2.gz CCIAKGXZFZUJJO-NSHDSACASA-N 0 3 261.394 3.048 20 70 CGIDHN CN(C)C[C@H]1CCCCN1C(=O)C1CCC(C)(C)CC1 ZINC000159418425 372141427 /nfs/dbraw/zinc/14/14/27/372141427.db2.gz NVCNCBRGFOSVKT-OAHLLOKOSA-N 0 3 280.456 3.146 20 70 CGIDHN C[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2)CC[C@@H]1O ZINC000159456264 372146404 /nfs/dbraw/zinc/14/64/04/372146404.db2.gz DHFSJQIXIRMVNH-CJNGLKHVSA-N 0 3 261.409 3.187 20 70 CGIDHN C[C@@H](O)CN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000159478006 372147518 /nfs/dbraw/zinc/14/75/18/372147518.db2.gz LGUMRMXDQZORHP-ZJUUUORDSA-N 0 3 261.287 3.079 20 70 CGIDHN C[C@@H](NCCO)c1ccc(-c2ccccc2F)s1 ZINC000159680406 372167637 /nfs/dbraw/zinc/16/76/37/372167637.db2.gz YJSLPHBEYSAEMK-SNVBAGLBSA-N 0 3 265.353 3.197 20 70 CGIDHN Cc1cccc(COc2ccc([C@@H](C)NCCO)cc2)c1 ZINC000159721464 372171653 /nfs/dbraw/zinc/17/16/53/372171653.db2.gz MAUXSYIYALTDIO-OAHLLOKOSA-N 0 3 285.387 3.217 20 70 CGIDHN CN(Cc1ccccc1C(F)(F)F)C[C@H]1CCC[C@@H]1O ZINC000159751743 372175296 /nfs/dbraw/zinc/17/52/96/372175296.db2.gz YABIXSGNFMXBEU-OCCSQVGLSA-N 0 3 287.325 3.298 20 70 CGIDHN CC[C@]1(C)C[C@@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000160165821 372220923 /nfs/dbraw/zinc/22/09/23/372220923.db2.gz NBCCMSJCMOHLHE-SJLPKXTDSA-N 0 3 288.435 3.061 20 70 CGIDHN CCOc1cccc(CNC[C@H]2CCC(C)(C)O2)c1 ZINC000160219906 372225854 /nfs/dbraw/zinc/22/58/54/372225854.db2.gz MCHPVQLAEVMPEG-OAHLLOKOSA-N 0 3 263.381 3.133 20 70 CGIDHN c1coc([C@@H]2CCCCCN2CCn2ccnc2)c1 ZINC000159836829 372184560 /nfs/dbraw/zinc/18/45/60/372184560.db2.gz QWYOGCGNXHHIQQ-AWEZNQCLSA-N 0 3 259.353 3.093 20 70 CGIDHN C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000159908302 372193316 /nfs/dbraw/zinc/19/33/16/372193316.db2.gz CGHIXZSOPQFFCR-YOEHRIQHSA-N 0 3 288.435 3.399 20 70 CGIDHN CCC(CC)(CC)CNC(=O)N(C)CC1CCN(C)CC1 ZINC000160045410 372206834 /nfs/dbraw/zinc/20/68/34/372206834.db2.gz HJPOEKPUMMYSBS-UHFFFAOYSA-N 0 3 297.487 3.186 20 70 CGIDHN CCCN(Cc1cn(C)nc1C)Cc1ccccc1 ZINC000160474707 372249936 /nfs/dbraw/zinc/24/99/36/372249936.db2.gz PAMNQROIPZLXBU-UHFFFAOYSA-N 0 3 257.381 3.141 20 70 CGIDHN Cn1ncc2c1CCC[C@@H]2NCc1coc2ccccc12 ZINC000161081848 372300736 /nfs/dbraw/zinc/30/07/36/372300736.db2.gz HJYPRNBVNGHDQT-HNNXBMFYSA-N 0 3 281.359 3.334 20 70 CGIDHN Cc1cc2cc([C@H](C)NCC(C)(C)O)oc2cc1C ZINC000160599399 372261299 /nfs/dbraw/zinc/26/12/99/372261299.db2.gz GWSIENCUJZDHBU-LBPRGKRZSA-N 0 3 261.365 3.471 20 70 CGIDHN Cc1cccc([C@@H](C)NC(=O)C2(N)CCCCC2)c1C ZINC000160835820 372281635 /nfs/dbraw/zinc/28/16/35/372281635.db2.gz CLGRFSIKAONUIA-CQSZACIVSA-N 0 3 274.408 3.142 20 70 CGIDHN C[C@@H](NCc1cccc2cc[nH]c21)c1cccnc1 ZINC000218075060 376183246 /nfs/dbraw/zinc/18/32/46/376183246.db2.gz VOFPRPURJAZXOW-GFCCVEGCSA-N 0 3 251.333 3.414 20 70 CGIDHN Cc1cnn(CCN[C@H](C)c2ccc(Cl)c(F)c2)c1 ZINC000218268602 376187600 /nfs/dbraw/zinc/18/76/00/376187600.db2.gz ODGJQAWGQGIIKE-LLVKDONJSA-N 0 3 281.762 3.335 20 70 CGIDHN CCCn1nccc1CN[C@@H](C)c1ccc(C)cc1 ZINC000160094624 542153318 /nfs/dbraw/zinc/15/33/18/542153318.db2.gz AULGRGLOFXVWKW-AWEZNQCLSA-N 0 3 257.381 3.452 20 70 CGIDHN COc1ccc(C)cc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159640106 321838088 /nfs/dbraw/zinc/83/80/88/321838088.db2.gz SRYSPERWAHAZIN-UAGQMJEPSA-N 0 3 287.403 3.051 20 70 CGIDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCOCC(C)C ZINC000160701736 321856213 /nfs/dbraw/zinc/85/62/13/321856213.db2.gz KCZMRBLMNQKVCF-ZDUSSCGKSA-N 0 3 281.444 3.270 20 70 CGIDHN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN(C1CC1)C1CCCC1 ZINC000216859579 329307611 /nfs/dbraw/zinc/30/76/11/329307611.db2.gz LVXQLQLYPLWLCS-PBHICJAKSA-N 0 3 292.467 3.431 20 70 CGIDHN C[C@H](NC[C@H](C)N(C)Cc1ccccc1)c1ccco1 ZINC000160876044 525404402 /nfs/dbraw/zinc/40/44/02/525404402.db2.gz LCEKSWFGMVROKQ-GJZGRUSLSA-N 0 3 272.392 3.451 20 70 CGIDHN CC(C)c1ccc(CN(C)CCCCS(C)(=O)=O)cc1 ZINC000161147533 572883292 /nfs/dbraw/zinc/88/32/92/572883292.db2.gz BDRCVEPOPPRYTC-UHFFFAOYSA-N 0 3 297.464 3.067 20 70 CGIDHN O=C(CC/C=C/c1ccccc1)N[C@H]1CCN(CC2CC2)C1 ZINC000159487600 346168082 /nfs/dbraw/zinc/16/80/82/346168082.db2.gz FCUXPFYVHLLQLR-PYJQOMOHSA-N 0 3 298.430 3.081 20 70 CGIDHN CCO[C@@H]1C[C@H](NCc2cccc(F)c2F)C1(C)C ZINC000217901650 346291801 /nfs/dbraw/zinc/29/18/01/346291801.db2.gz GODVSDLYNRIAQT-QWHCGFSZSA-N 0 3 269.335 3.258 20 70 CGIDHN Cc1ccc(C(=O)CCN[C@@H](C)c2cccnc2)cc1 ZINC000161415246 188526793 /nfs/dbraw/zinc/52/67/93/188526793.db2.gz ARMYPTJEPOGATI-AWEZNQCLSA-N 0 3 268.360 3.314 20 70 CGIDHN COc1ccc(C)cc1[C@H](C)NC[C@@H](CO)c1ccccc1 ZINC000161480045 188529846 /nfs/dbraw/zinc/52/98/46/188529846.db2.gz CVJXWBVQPOYOHK-RDJZCZTQSA-N 0 3 299.414 3.430 20 70 CGIDHN CC(C)n1cc([C@@H](C)N[C@@H]2CCCSC2)cn1 ZINC000159640212 372164608 /nfs/dbraw/zinc/16/46/08/372164608.db2.gz DUUCOPYVURJWQW-DGCLKSJQSA-N 0 3 253.415 3.010 20 70 CGIDHN Cc1ccccc1[C@H](NC(=O)[C@H](C)N)[C@@H]1CCC[C@H](C)C1 ZINC000159686400 372168702 /nfs/dbraw/zinc/16/87/02/372168702.db2.gz FOTRFUYDDSBBKO-MKVSYHDVSA-N 0 3 288.435 3.326 20 70 CGIDHN Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C ZINC000159695041 372169310 /nfs/dbraw/zinc/16/93/10/372169310.db2.gz VDQSLSZIXTUOHB-HOTGVXAUSA-N 0 3 276.424 3.182 20 70 CGIDHN CCc1nc(CN[C@H](C)c2cccc3ccccc32)n[nH]1 ZINC000160272722 372231791 /nfs/dbraw/zinc/23/17/91/372231791.db2.gz XWXGZKUGVMCHAH-GFCCVEGCSA-N 0 3 280.375 3.371 20 70 CGIDHN CCc1nc(CN[C@@H](c2ccccc2C)C(C)C)n[nH]1 ZINC000160425422 372246204 /nfs/dbraw/zinc/24/62/04/372246204.db2.gz ZFQGOORHHDXSEY-MRXNPFEDSA-N 0 3 272.396 3.162 20 70 CGIDHN C[C@H](NC[C@H]1CCCC[C@@H]1O)c1cc(F)c(F)c(F)c1 ZINC000160533714 372255691 /nfs/dbraw/zinc/25/56/91/372255691.db2.gz VSDJBDBUBOBFBQ-RBZYPMLTSA-N 0 3 287.325 3.306 20 70 CGIDHN Cc1ccc(C)c([C@H]2CCCN2C(=O)CN(C)C(C)C)c1 ZINC000160708029 372269885 /nfs/dbraw/zinc/26/98/85/372269885.db2.gz VLNCECZCBDPQGM-QGZVFWFLSA-N 0 3 288.435 3.307 20 70 CGIDHN COc1ccc(OC)c(CCN[C@@H](C)c2cncs2)c1 ZINC000161416064 372321678 /nfs/dbraw/zinc/32/16/78/372321678.db2.gz AUELWJVTXRMQGG-NSHDSACASA-N 0 3 292.404 3.054 20 70 CGIDHN COc1ccc(OC)c(CCN[C@H](C)c2cncs2)c1 ZINC000161416184 372321965 /nfs/dbraw/zinc/32/19/65/372321965.db2.gz AUELWJVTXRMQGG-LLVKDONJSA-N 0 3 292.404 3.054 20 70 CGIDHN Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](N)C(C)C ZINC000159694733 321839054 /nfs/dbraw/zinc/83/90/54/321839054.db2.gz VDQSLSZIXTUOHB-JKSUJKDBSA-N 0 3 276.424 3.182 20 70 CGIDHN Cc1noc(C)c1CN(CCc1nccs1)C(C)C ZINC000159838553 534352241 /nfs/dbraw/zinc/35/22/41/534352241.db2.gz YJVGFPYKNQCISS-UHFFFAOYSA-N 0 3 279.409 3.201 20 70 CGIDHN COc1ccc(CN2CC[C@H]3OCCC[C@@H]3C2)cc1Cl ZINC000161447348 524038990 /nfs/dbraw/zinc/03/89/90/524038990.db2.gz DWQFSSQNMJAIFQ-UKRRQHHQSA-N 0 3 295.810 3.350 20 70 CGIDHN Cc1ccc([C@@H](C)NCC[S@@](=O)c2ccccc2)cc1 ZINC000160789386 525728783 /nfs/dbraw/zinc/72/87/83/525728783.db2.gz GMLBGOZYYAODNF-QRWLVFNGSA-N 0 3 287.428 3.453 20 70 CGIDHN CC[C@H](NCCOC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000160931581 346173663 /nfs/dbraw/zinc/17/36/63/346173663.db2.gz GJDTVMSJFDOIQE-HOTGVXAUSA-N 0 3 281.371 3.062 20 70 CGIDHN Fc1ccc(F)c(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159606517 188434216 /nfs/dbraw/zinc/43/42/16/188434216.db2.gz HOAVZTVNKSFAQD-YUELXQCFSA-N 0 3 279.330 3.012 20 70 CGIDHN Cc1cccc([C@H]2CCCN2CCCOC(C)C)n1 ZINC000159779780 372179895 /nfs/dbraw/zinc/17/98/95/372179895.db2.gz GJUPFSHPUVWLCB-MRXNPFEDSA-N 0 3 262.397 3.342 20 70 CGIDHN CN(CCc1c(F)cccc1Cl)C[C@H]1CCC[C@@H]1O ZINC000159590667 372158986 /nfs/dbraw/zinc/15/89/86/372158986.db2.gz NAMGFTUIAMHPBJ-ABAIWWIYSA-N 0 3 285.790 3.114 20 70 CGIDHN C[C@@H](NCCO)c1ccc2ccccc2c1OC(F)F ZINC000159678915 372168099 /nfs/dbraw/zinc/16/80/99/372168099.db2.gz MMGJIRXPHXPFSC-SNVBAGLBSA-N 0 3 281.302 3.084 20 70 CGIDHN CC[C@@]1(C)C[C@@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000160165960 372219824 /nfs/dbraw/zinc/21/98/24/372219824.db2.gz NBCCMSJCMOHLHE-AEFFLSMTSA-N 0 3 288.435 3.061 20 70 CGIDHN CCCCOc1cccc(CN[C@H](COC)C2CC2)c1 ZINC000160838415 372281866 /nfs/dbraw/zinc/28/18/66/372281866.db2.gz WKCSIBLVRXHVTJ-QGZVFWFLSA-N 0 3 277.408 3.380 20 70 CGIDHN C[C@@H](CN[C@@H](C)c1cncs1)N(C)Cc1ccccc1 ZINC000160862018 372284243 /nfs/dbraw/zinc/28/42/43/372284243.db2.gz DRPAJBUKHALZNH-KBPBESRZSA-N 0 3 289.448 3.314 20 70 CGIDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cnn(C)c2)C1(CC)CC ZINC000161302449 372315680 /nfs/dbraw/zinc/31/56/80/372315680.db2.gz RKPDDOUQKJGONY-AEGPPILISA-N 0 3 279.428 3.055 20 70 CGIDHN CC[C@H](CO)N[C@@H](CC)c1cccc(Cl)c1F ZINC000161479981 372327272 /nfs/dbraw/zinc/32/72/72/372327272.db2.gz VNQCNNNUMDJNMV-SKDRFNHKSA-N 0 3 259.752 3.291 20 70 CGIDHN CCn1nccc1CN[C@H](c1ccc(OC)cc1)C(C)C ZINC000159907542 542151512 /nfs/dbraw/zinc/15/15/12/542151512.db2.gz RVOPVWMDPDCIHC-KRWDZBQOSA-N 0 3 287.407 3.399 20 70 CGIDHN CC1CCN(CCNc2cc(Cl)nc(C3CC3)n2)CC1 ZINC000217972863 392996327 /nfs/dbraw/zinc/99/63/27/392996327.db2.gz QMOREIIWILRHIE-UHFFFAOYSA-N 0 3 294.830 3.151 20 70 CGIDHN CCOc1cc2c(cc1CN[C@H]1CCSC1)O[C@H](C)C2 ZINC000218606633 392998384 /nfs/dbraw/zinc/99/83/84/392998384.db2.gz UQZHDFVWEFLYFG-RISCZKNCSA-N 0 3 293.432 3.004 20 70 CGIDHN CCCN(CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)CC1CC1 ZINC000217200412 270085360 /nfs/dbraw/zinc/08/53/60/270085360.db2.gz JEMCQWUWHDNCMA-GOEBONIOSA-N 0 3 280.456 3.146 20 70 CGIDHN COc1ccccc1CCNCc1cc(F)cc(F)c1 ZINC000159586196 534046295 /nfs/dbraw/zinc/04/62/95/534046295.db2.gz AMSGEKDOQHUZOW-UHFFFAOYSA-N 0 3 277.314 3.306 20 70 CGIDHN CCCN1CCCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC000160361388 519850965 /nfs/dbraw/zinc/85/09/65/519850965.db2.gz YRVKHQIPJNQVPQ-UHFFFAOYSA-N 0 3 298.789 3.037 20 70 CGIDHN c1oc2ccccc2c1CNCc1ccc2c(c1)OCO2 ZINC000161065895 526627968 /nfs/dbraw/zinc/62/79/68/526627968.db2.gz IIOZUQOVNRVXIE-UHFFFAOYSA-N 0 3 281.311 3.451 20 70 CGIDHN CC(C)(C)C[C@@H](CO)Nc1ccnc2ccccc21 ZINC000161466513 527692458 /nfs/dbraw/zinc/69/24/58/527692458.db2.gz BIUGXSWWYHUZPV-LBPRGKRZSA-N 0 3 258.365 3.444 20 70 CGIDHN CN(C)[C@H](CNCc1coc2ccccc12)c1ccco1 ZINC000159795568 372181832 /nfs/dbraw/zinc/18/18/32/372181832.db2.gz ZDGCYPHWHXKKRL-OAHLLOKOSA-N 0 3 284.359 3.418 20 70 CGIDHN C[C@H](NCCO)c1ccc2ccccc2c1OC(F)F ZINC000159678787 372168137 /nfs/dbraw/zinc/16/81/37/372168137.db2.gz MMGJIRXPHXPFSC-JTQLQIEISA-N 0 3 281.302 3.084 20 70 CGIDHN C[C@H](CN[C@@H](C)c1ccco1)N1CCc2ccccc21 ZINC000159927634 372194114 /nfs/dbraw/zinc/19/41/14/372194114.db2.gz NOOMFIRROKXLNW-KGLIPLIRSA-N 0 3 270.376 3.381 20 70 CGIDHN CCCCN(C)CCNC(=O)CC/C=C/c1ccccc1 ZINC000159948839 372197687 /nfs/dbraw/zinc/19/76/87/372197687.db2.gz PNJGPZZWZOCCAN-XYOKQWHBSA-N 0 3 288.435 3.328 20 70 CGIDHN CCC[C@H](N)C(=O)NC1(c2ccccc2)CCCCC1 ZINC000160049715 372206712 /nfs/dbraw/zinc/20/67/12/372206712.db2.gz PDRYKESGCFRLGP-HNNXBMFYSA-N 0 3 274.408 3.090 20 70 CGIDHN CC(C)[C@H](N)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000160988614 372292087 /nfs/dbraw/zinc/29/20/87/372292087.db2.gz PDMJOGAOQKUYLA-UFBFGSQYSA-N 0 3 289.206 3.154 20 70 CGIDHN Cc1ccc(OC(F)F)c([C@H](C)NCC(C)(C)O)c1 ZINC000160604829 372261548 /nfs/dbraw/zinc/26/15/48/372261548.db2.gz PUNHSQUMXIOFAK-JTQLQIEISA-N 0 3 273.323 3.018 20 70 CGIDHN CC(=O)Nc1ccc(CN(C)Cc2ccc(F)cc2)cc1 ZINC000161145749 372305695 /nfs/dbraw/zinc/30/56/95/372305695.db2.gz AZRKQOHHWOZCPO-UHFFFAOYSA-N 0 3 286.350 3.416 20 70 CGIDHN CC(C)C1CCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000161269053 372314871 /nfs/dbraw/zinc/31/48/71/372314871.db2.gz FWMDAZDAAJMDJR-WMLDXEAASA-N 0 3 288.435 3.217 20 70 CGIDHN Cc1ccccc1[C@@H](NC(=O)[C@H](C)N)C1CCC(C)CC1 ZINC000159685833 542150442 /nfs/dbraw/zinc/15/04/42/542150442.db2.gz QGYNQURWIBDXHI-RZUWBANKSA-N 0 3 288.435 3.326 20 70 CGIDHN C[C@H](N)C(=O)Nc1cc(C2CCC(C(C)(C)C)CC2)[nH]n1 ZINC000161068829 397658031 /nfs/dbraw/zinc/65/80/31/397658031.db2.gz BIPFJSXBZMLSSY-UNXYVOJBSA-N 0 3 292.427 3.015 20 70 CGIDHN COC[C@H](N[C@H]1CCOc2c(Cl)cccc21)C1CC1 ZINC000161293301 274050853 /nfs/dbraw/zinc/05/08/53/274050853.db2.gz YIKFNCQHBLIJKL-KBPBESRZSA-N 0 3 281.783 3.178 20 70 CGIDHN COc1ccc2c(c1)[C@@H](N[C@H]1CCCSC1)CCCO2 ZINC000159531530 295272565 /nfs/dbraw/zinc/27/25/65/295272565.db2.gz VGDPNMCNYTXHBR-WFASDCNBSA-N 0 3 293.432 3.394 20 70 CGIDHN C[C@@H](N[C@H](C)c1cccnc1)c1ccc(-n2ccnn2)cc1 ZINC000159869834 321842527 /nfs/dbraw/zinc/84/25/27/321842527.db2.gz HPLJIANFRVANDR-ZIAGYGMSSA-N 0 3 293.374 3.074 20 70 CGIDHN C[C@@H](CN1CCCCC1)NCc1cc(F)cc(Cl)c1 ZINC000160887399 533821543 /nfs/dbraw/zinc/82/15/43/533821543.db2.gz SSZVSMOFDOHXKW-LBPRGKRZSA-N 0 3 284.806 3.443 20 70 CGIDHN COC[C@H](C)NCc1cn(-c2ccccc2)nc1C(C)C ZINC000160749633 522626681 /nfs/dbraw/zinc/62/66/81/522626681.db2.gz QTWNCBJVPZUDCP-AWEZNQCLSA-N 0 3 287.407 3.120 20 70 CGIDHN CN(CC1CC1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000159388394 522633520 /nfs/dbraw/zinc/63/35/20/522633520.db2.gz VQJRVEMHSYMNIN-OAHLLOKOSA-N 0 3 292.810 3.177 20 70 CGIDHN CC[C@@H](NCC(C)(C)O)c1cc(Cl)ccc1OC ZINC000160598627 522817440 /nfs/dbraw/zinc/81/74/40/522817440.db2.gz SEFWVFFLPZWYGP-GFCCVEGCSA-N 0 3 271.788 3.160 20 70 CGIDHN CSC[C@H](CCO)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000160367242 525700668 /nfs/dbraw/zinc/70/06/68/525700668.db2.gz LVKNOJHVTZAOLE-DYVFJYSZSA-N 0 3 293.476 3.330 20 70 CGIDHN Cc1cccc2nc(CN3CC[C@@H]4CCCC[C@@H]43)cn21 ZINC000159732418 346168392 /nfs/dbraw/zinc/16/83/92/346168392.db2.gz QELMOJQBDMZRGN-HOCLYGCPSA-N 0 3 269.392 3.407 20 70 CGIDHN CCN1CC[C@H](N(C)c2nc(C(C)(C)C)ns2)[C@H](C)C1 ZINC000159623978 372162512 /nfs/dbraw/zinc/16/25/12/372162512.db2.gz DBVYQEKDSRCQCF-NEPJUHHUSA-N 0 3 296.484 3.002 20 70 CGIDHN CC1(C)Cc2cccc(CN3CCCC[C@@H]3CCO)c2O1 ZINC000159720151 372171686 /nfs/dbraw/zinc/17/16/86/372171686.db2.gz MSTYRFMFDMFMLK-MRXNPFEDSA-N 0 3 289.419 3.137 20 70 CGIDHN OCCN[C@@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000159716621 372172381 /nfs/dbraw/zinc/17/23/81/372172381.db2.gz YUYLHZAZPKFSTB-INIZCTEOSA-N 0 3 293.769 3.345 20 70 CGIDHN Cn1cc(CCNC2c3ccccc3-c3ccccc32)cn1 ZINC000159751637 372175462 /nfs/dbraw/zinc/17/54/62/372175462.db2.gz ABGYDHSLUULKRI-UHFFFAOYSA-N 0 3 289.382 3.322 20 70 CGIDHN CCN(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000159749667 372176235 /nfs/dbraw/zinc/17/62/35/372176235.db2.gz JCSDLHQDZNKTPA-UHFFFAOYSA-N 0 3 263.772 3.059 20 70 CGIDHN Cc1cc2ccccc2nc1N[C@@H]1CCN(C)[C@H](C)C1 ZINC000160245759 372229096 /nfs/dbraw/zinc/22/90/96/372229096.db2.gz DJIHPHSCTBATIJ-UKRRQHHQSA-N 0 3 269.392 3.438 20 70 CGIDHN Cc1cccc2nc(CN[C@@H]3CC(C)(C)OC3(C)C)cn21 ZINC000160338206 372239821 /nfs/dbraw/zinc/23/98/21/372239821.db2.gz KHIDLMIOBKCTCZ-CQSZACIVSA-N 0 3 287.407 3.078 20 70 CGIDHN Cc1ccc([C@H]2CCCCCN2CCn2ccnc2)o1 ZINC000159844429 372186830 /nfs/dbraw/zinc/18/68/30/372186830.db2.gz BGGZFESWNXZNPX-OAHLLOKOSA-N 0 3 273.380 3.402 20 70 CGIDHN Cc1ccc([C@@H]2CCCCCN2CCn2ccnc2)o1 ZINC000159844316 372187677 /nfs/dbraw/zinc/18/76/77/372187677.db2.gz BGGZFESWNXZNPX-HNNXBMFYSA-N 0 3 273.380 3.402 20 70 CGIDHN CCn1cc([C@H](C)NC[C@H](C)N2CCc3ccccc32)cn1 ZINC000159924836 372194348 /nfs/dbraw/zinc/19/43/48/372194348.db2.gz PYRBMQQHZQPAJL-GJZGRUSLSA-N 0 3 298.434 3.005 20 70 CGIDHN CCCN(CCCOCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000159954745 372197729 /nfs/dbraw/zinc/19/77/29/372197729.db2.gz AOTODQCXEQGFTI-OAHLLOKOSA-N 0 3 292.423 3.152 20 70 CGIDHN CN(Cc1cnc2ccccn12)[C@H]1CCc2ccccc2C1 ZINC000160416914 372245488 /nfs/dbraw/zinc/24/54/88/372245488.db2.gz QZPNTHWDFYLTOK-KRWDZBQOSA-N 0 3 291.398 3.324 20 70 CGIDHN CC(C)Sc1ccccc1NC(=O)C1CCN(C)CC1 ZINC000160904411 372288013 /nfs/dbraw/zinc/28/80/13/372288013.db2.gz WOUWFCMXPQXHFF-UHFFFAOYSA-N 0 3 292.448 3.467 20 70 CGIDHN CN(Cc1cccc(Cl)c1)CC1=CCCOC1 ZINC000161133859 372304353 /nfs/dbraw/zinc/30/43/53/372304353.db2.gz GTFMFALJPGSWMR-UHFFFAOYSA-N 0 3 251.757 3.119 20 70 CGIDHN CC[C@H](N)C(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000161235716 372311424 /nfs/dbraw/zinc/31/14/24/372311424.db2.gz YSVBYXLBMKNCOI-CWRNSKLLSA-N 0 3 274.408 3.032 20 70 CGIDHN C[C@@H](NC[C@@H](CO)c1ccccc1)c1ccc(F)cc1F ZINC000161455260 372325351 /nfs/dbraw/zinc/32/53/51/372325351.db2.gz XBKQJBSIWDNBIE-OCCSQVGLSA-N 0 3 291.341 3.392 20 70 CGIDHN COc1cc(CN2CC[C@H](C)C[C@@H]2C)cc(OC)c1O ZINC000217843313 376178719 /nfs/dbraw/zinc/17/87/19/376178719.db2.gz SOYNPRXTWNNQBS-RYUDHWBXSA-N 0 3 279.380 3.030 20 70 CGIDHN CCCn1c(CNCCCCCOC)nc2ccccc21 ZINC000218240965 376186628 /nfs/dbraw/zinc/18/66/28/376186628.db2.gz FQOSJMFPSFLDRJ-UHFFFAOYSA-N 0 3 289.423 3.353 20 70 CGIDHN CCN1CCCN(C(=O)NC(CC(C)C)CC(C)C)CC1 ZINC000159819757 285209123 /nfs/dbraw/zinc/20/91/23/285209123.db2.gz BDZUEOJDKZODJB-UHFFFAOYSA-N 0 3 297.487 3.184 20 70 CGIDHN COC(=O)CCCN1CCC[C@@H]1Cc1ccccc1Cl ZINC000217223734 392994632 /nfs/dbraw/zinc/99/46/32/392994632.db2.gz JUTFOXNJCPJYDA-CQSZACIVSA-N 0 3 295.810 3.300 20 70 CGIDHN CC[C@@H](c1ccc(F)cc1)N1CCC[C@@H](CNC(C)=O)C1 ZINC000217237932 392995089 /nfs/dbraw/zinc/99/50/89/392995089.db2.gz GKTANAVMOBXBAI-YOEHRIQHSA-N 0 3 292.398 3.125 20 70 CGIDHN CC(C)NC(=O)CN[C@@H]1CCCCc2ccc(Cl)cc21 ZINC000160959524 519708775 /nfs/dbraw/zinc/70/87/75/519708775.db2.gz MNQGCCAWISKCGO-OAHLLOKOSA-N 0 3 294.826 3.222 20 70 CGIDHN CCCN1CCCN(C(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000160391020 519850916 /nfs/dbraw/zinc/85/09/16/519850916.db2.gz MSFCQRLWHBAORO-UHFFFAOYSA-N 0 3 299.418 3.034 20 70 CGIDHN Cc1ccc([C@H](C)NCC[S@@](=O)c2ccccc2)cc1 ZINC000160789500 525920434 /nfs/dbraw/zinc/92/04/34/525920434.db2.gz GMLBGOZYYAODNF-YWZLYKJASA-N 0 3 287.428 3.453 20 70 CGIDHN Cc1nc2ccccn2c1CN1CCS[C@@H](C(C)C)C1 ZINC000160878718 527178123 /nfs/dbraw/zinc/17/81/23/527178123.db2.gz QMSXHZACWIOBED-OAHLLOKOSA-N 0 3 289.448 3.216 20 70 CGIDHN CC(C)[C@@H]1CCCC[C@H]1NCc1nnc2ccccn21 ZINC000160300952 528656457 /nfs/dbraw/zinc/65/64/57/528656457.db2.gz GJICRBYSRQSLFN-UONOGXRCSA-N 0 3 272.396 3.034 20 70 CGIDHN C[C@H]1C[C@@H]1CNCc1cc(F)ccc1Br ZINC000160533034 232245994 /nfs/dbraw/zinc/24/59/94/232245994.db2.gz PMNBRNBCFOGFNE-DTWKUNHWSA-N 0 3 272.161 3.334 20 70 CGIDHN C[C@H](CN1CCCCC1)NCc1cc(F)cc(Cl)c1 ZINC000160887547 232248107 /nfs/dbraw/zinc/24/81/07/232248107.db2.gz SSZVSMOFDOHXKW-GFCCVEGCSA-N 0 3 284.806 3.443 20 70 CGIDHN CCCCO[C@@H]1C[C@H](N[C@@H](C)c2cnn(C)c2)C1(C)C ZINC000159781196 372180361 /nfs/dbraw/zinc/18/03/61/372180361.db2.gz PNXUNUFADUYYCB-AEGPPILISA-N 0 3 279.428 3.055 20 70 CGIDHN Clc1ccccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159616057 372161290 /nfs/dbraw/zinc/16/12/90/372161290.db2.gz CLRZQCYUAZTCQO-YUELXQCFSA-N 0 3 277.795 3.387 20 70 CGIDHN Cc1cccc([C@@H](C)C(=O)NCCN2CCCCCC2)c1 ZINC000159654219 372165072 /nfs/dbraw/zinc/16/50/72/372165072.db2.gz MTKUHOBFJLOSKS-MRXNPFEDSA-N 0 3 288.435 3.091 20 70 CGIDHN C[C@H](c1cccc(F)c1)N(C)CCOCC1CC1 ZINC000159768525 372177504 /nfs/dbraw/zinc/17/75/04/372177504.db2.gz NHYOPQNDOHSOLS-GFCCVEGCSA-N 0 3 251.345 3.245 20 70 CGIDHN CC(C)Oc1ccc(CN[C@@H]2CC(C)(C)OC2(C)C)cn1 ZINC000160095982 372212662 /nfs/dbraw/zinc/21/26/62/372212662.db2.gz IGOHZBRVVPROAM-CQSZACIVSA-N 0 3 292.423 3.305 20 70 CGIDHN Cc1nn(C)c(C)c1CN[C@H](C)c1cccc(C)c1 ZINC000160160264 372219915 /nfs/dbraw/zinc/21/99/15/372219915.db2.gz GSPCNEIQAKJGBN-GFCCVEGCSA-N 0 3 257.381 3.196 20 70 CGIDHN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1cccc(C)c1 ZINC000160182073 372221856 /nfs/dbraw/zinc/22/18/56/372221856.db2.gz NDNQDPDLFYKMNH-STQMWFEESA-N 0 3 257.381 3.449 20 70 CGIDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2ccncc2)C12CCC2 ZINC000160969738 372292552 /nfs/dbraw/zinc/29/25/52/372292552.db2.gz PUKWAYDXSVUILL-BPLDGKMQSA-N 0 3 260.381 3.080 20 70 CGIDHN Cc1cccc(-c2ccc(CNC(=O)[C@@H](N)C(C)C)cc2)c1 ZINC000161005763 372294510 /nfs/dbraw/zinc/29/45/10/372294510.db2.gz ORCITXNDYIFMKG-SFHVURJKSA-N 0 3 296.414 3.262 20 70 CGIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000160599621 372261422 /nfs/dbraw/zinc/26/14/22/372261422.db2.gz VCYLUQRVWHMGJP-NEPJUHHUSA-N 0 3 297.830 3.430 20 70 CGIDHN CCC[C@@H](N)C(=O)N[C@@H](c1ccccc1Cl)C(C)C ZINC000160830153 372279854 /nfs/dbraw/zinc/27/98/54/372279854.db2.gz JVBCHCFQKXSEEA-ZIAGYGMSSA-N 0 3 282.815 3.281 20 70 CGIDHN CCCCCC[C@@](C)(CC)C(=O)N1CCCNCC1 ZINC000160851571 372281075 /nfs/dbraw/zinc/28/10/75/372281075.db2.gz WPAYWKNDUSUICW-MRXNPFEDSA-N 0 3 268.445 3.195 20 70 CGIDHN CC[C@H](C)[C@H](N)C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000161460722 372327680 /nfs/dbraw/zinc/32/76/80/372327680.db2.gz ZARUKFIPDWAOGU-WFASDCNBSA-N 0 3 262.397 3.146 20 70 CGIDHN Cc1c(CN[C@@H]2CCc3cc(Cl)ccc32)cnn1C ZINC000161215237 280227418 /nfs/dbraw/zinc/22/74/18/280227418.db2.gz ALEQPCJSYWDNAR-OAHLLOKOSA-N 0 3 275.783 3.159 20 70 CGIDHN CCO[C@H]1C[C@H](NCc2cccc(F)c2F)C1(C)C ZINC000217901748 346291871 /nfs/dbraw/zinc/29/18/71/346291871.db2.gz GODVSDLYNRIAQT-STQMWFEESA-N 0 3 269.335 3.258 20 70 CGIDHN CC[C@@H](CN[C@H](C)c1cnccn1)Oc1ccccc1F ZINC000160316089 188465151 /nfs/dbraw/zinc/46/51/51/188465151.db2.gz VRFRAQIAKUBHER-OLZOCXBDSA-N 0 3 289.354 3.124 20 70 CGIDHN CC[C@H](C)[C@@H](N)C(=O)Nc1sc2c(c1C)CCCC2 ZINC000160988417 188501439 /nfs/dbraw/zinc/50/14/39/188501439.db2.gz RLOZQVKAOIOORS-TVQRCGJNSA-N 0 3 280.437 3.247 20 70 CGIDHN Cc1ccc(CN[C@H](C)CSC(C)(C)C)cn1 ZINC000161291703 188519499 /nfs/dbraw/zinc/51/94/99/188519499.db2.gz IYKORIVSQFIEDN-GFCCVEGCSA-N 0 3 252.427 3.400 20 70 CGIDHN Cc1ccc(CNC(C)(C)CN(C)Cc2ccccc2)nc1 ZINC000159364095 372135682 /nfs/dbraw/zinc/13/56/82/372135682.db2.gz JSANUYKJLKRKRB-UHFFFAOYSA-N 0 3 297.446 3.390 20 70 CGIDHN Cc1cccc([C@H](C)C(=O)NCCN2CCCCCC2)c1 ZINC000159654354 372164168 /nfs/dbraw/zinc/16/41/68/372164168.db2.gz MTKUHOBFJLOSKS-INIZCTEOSA-N 0 3 288.435 3.091 20 70 CGIDHN CC(C)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000159750015 372175586 /nfs/dbraw/zinc/17/55/86/372175586.db2.gz HRTARPALHGGDNT-UHFFFAOYSA-N 0 3 277.799 3.447 20 70 CGIDHN CCc1ccc([C@@H](C)NC[C@@](C)(O)c2ccsc2)o1 ZINC000160136924 372216036 /nfs/dbraw/zinc/21/60/36/372216036.db2.gz KDJNLKJCEMDYQD-IAQYHMDHSA-N 0 3 279.405 3.462 20 70 CGIDHN COc1cccc([C@@H](C)NC[C@H]2CCC(C)(C)O2)c1 ZINC000160325132 372238056 /nfs/dbraw/zinc/23/80/56/372238056.db2.gz JDAFLXKXSUYLKJ-IUODEOHRSA-N 0 3 263.381 3.303 20 70 CGIDHN CCCN(CCCOCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000159954607 372198618 /nfs/dbraw/zinc/19/86/18/372198618.db2.gz AOTODQCXEQGFTI-HNNXBMFYSA-N 0 3 292.423 3.152 20 70 CGIDHN CCCN(Cc1cnc2cnccn12)Cc1ccccc1 ZINC000160475863 372250572 /nfs/dbraw/zinc/25/05/72/372250572.db2.gz UREVPPOVRRJWEJ-UHFFFAOYSA-N 0 3 280.375 3.142 20 70 CGIDHN c1nc2ccccn2c1CN1CC[C@H](Cc2ccccc2)C1 ZINC000160594407 372261492 /nfs/dbraw/zinc/26/14/92/372261492.db2.gz AAWGCCBWKQVZHT-QGZVFWFLSA-N 0 3 291.398 3.399 20 70 CGIDHN C[C@H](NC[C@H](CO)c1ccccc1)c1ccccc1F ZINC000161400865 372321384 /nfs/dbraw/zinc/32/13/84/372321384.db2.gz HVIFOBSGSGRACI-DZGCQCFKSA-N 0 3 273.351 3.252 20 70 CGIDHN N[C@H](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000218011585 376183274 /nfs/dbraw/zinc/18/32/74/376183274.db2.gz CLIQTFBCHMYLNE-GVDBMIGSSA-N 0 3 286.419 3.258 20 70 CGIDHN C[C@@H]1CCC[C@@H](CNCc2nc3ccccc3n2C)C1 ZINC000218133657 376184414 /nfs/dbraw/zinc/18/44/14/376184414.db2.gz RYJVBHJIKYGBKJ-ZIAGYGMSSA-N 0 3 271.408 3.489 20 70 CGIDHN CC(C)(C)[C@@H]1CCN(C(=O)Nc2cccc(CN)c2)C1 ZINC000160979118 542157549 /nfs/dbraw/zinc/15/75/49/542157549.db2.gz QAPZZORXEIIAOO-CYBMUJFWSA-N 0 3 275.396 3.045 20 70 CGIDHN CC(C)N(C)C(=O)CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000217224145 392993761 /nfs/dbraw/zinc/99/37/61/392993761.db2.gz IBQHFBGAJMTLGH-CQSZACIVSA-N 0 3 268.445 3.001 20 70 CGIDHN C[C@H](N[C@@H](C)C1CC1)c1ccc(-n2cncn2)cc1Cl ZINC000160132133 165474579 /nfs/dbraw/zinc/47/45/79/165474579.db2.gz UPPFRQXZZUFBFH-QWRGUYRKSA-N 0 3 290.798 3.370 20 70 CGIDHN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000159889326 302223534 /nfs/dbraw/zinc/22/35/34/302223534.db2.gz KQJZQBORIWIDBY-OFQRWUPVSA-N 0 3 288.435 3.073 20 70 CGIDHN COc1ccc([C@@H](C)NC[C@H]2CCC(C)(C)O2)cc1 ZINC000160310670 500854920 /nfs/dbraw/zinc/85/49/20/500854920.db2.gz WITLAQFFODSSDJ-IUODEOHRSA-N 0 3 263.381 3.303 20 70 CGIDHN CN(C)[C@H](CNCc1cc(F)cc(Cl)c1)c1ccco1 ZINC000160812463 522086037 /nfs/dbraw/zinc/08/60/37/522086037.db2.gz XVQHQPKFVPSBTB-CQSZACIVSA-N 0 3 296.773 3.465 20 70 CGIDHN CN(C)[C@H](CNCc1ccc(Cl)cc1F)c1ccco1 ZINC000160658662 522086654 /nfs/dbraw/zinc/08/66/54/522086654.db2.gz VATJBBUBVFDUNU-CQSZACIVSA-N 0 3 296.773 3.465 20 70 CGIDHN C[C@@H](NCc1ccc(CN(C)C)cc1)c1cncc(F)c1 ZINC000160886797 525522032 /nfs/dbraw/zinc/52/20/32/525522032.db2.gz PVBCJWDOPIDPOT-CYBMUJFWSA-N 0 3 287.382 3.133 20 70 CGIDHN Cc1cccc([C@H](C)C(=O)N[C@@H](C)CN2CCCCC2)c1 ZINC000159754782 346168651 /nfs/dbraw/zinc/16/86/51/346168651.db2.gz ZTKPQZHOAUBXHY-HOTGVXAUSA-N 0 3 288.435 3.089 20 70 CGIDHN CCS[C@H]1CCC[C@H](N[C@@H](C)c2cnccn2)C1 ZINC000159404100 372139391 /nfs/dbraw/zinc/13/93/91/372139391.db2.gz ICDDDQNFMNVTDQ-AVGNSLFASA-N 0 3 265.426 3.192 20 70 CGIDHN C[C@H]1CCC[C@@H](C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000159717240 372171544 /nfs/dbraw/zinc/17/15/44/372171544.db2.gz FICARLJCDKSFRB-WMLDXEAASA-N 0 3 288.435 3.191 20 70 CGIDHN CN(Cc1cccc(C(F)(F)F)c1)C[C@H]1CCC[C@@H]1O ZINC000159746489 372175336 /nfs/dbraw/zinc/17/53/36/372175336.db2.gz HGGDLFJNFZZSSF-OCCSQVGLSA-N 0 3 287.325 3.298 20 70 CGIDHN CCCCO[C@@H]1C[C@@H](N[C@@H](C)c2cnn(C)c2)C1(C)C ZINC000159781491 372179288 /nfs/dbraw/zinc/17/92/88/372179288.db2.gz PNXUNUFADUYYCB-NWANDNLSSA-N 0 3 279.428 3.055 20 70 CGIDHN COC[C@H](Cc1ccccc1)N[C@H](C)c1ccco1 ZINC000160196798 372223984 /nfs/dbraw/zinc/22/39/84/372223984.db2.gz PSYFVYHHRYWTNH-HIFRSBDPSA-N 0 3 259.349 3.188 20 70 CGIDHN Cc1cccc([C@H]2CCCN2C[C@@H]2CCCCO2)n1 ZINC000159827073 372184590 /nfs/dbraw/zinc/18/45/90/372184590.db2.gz GWOKRMQJMBYQOW-GOEBONIOSA-N 0 3 260.381 3.096 20 70 CGIDHN C[C@@H](c1ccco1)N(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000159910850 372192695 /nfs/dbraw/zinc/19/26/95/372192695.db2.gz XCWABVSSHHXMPO-ZDUSSCGKSA-N 0 3 286.375 3.174 20 70 CGIDHN C[C@@H](NC[C@H](C)N1CCc2ccccc21)c1cncc(F)c1 ZINC000159931150 372194575 /nfs/dbraw/zinc/19/45/75/372194575.db2.gz VWKAXVVKHJLULF-UONOGXRCSA-N 0 3 299.393 3.323 20 70 CGIDHN Cc1cccc([C@H](C)NC(=O)[C@H](N)Cc2ccccc2)c1C ZINC000160834768 372279435 /nfs/dbraw/zinc/27/94/35/372279435.db2.gz GUQUXLVFFVUZTM-MAUKXSAKSA-N 0 3 296.414 3.051 20 70 CGIDHN CN(CCc1cccs1)Cc1cnc2ccccn12 ZINC000160852178 372281573 /nfs/dbraw/zinc/28/15/73/372281573.db2.gz DWDCZXSZBQOYGF-UHFFFAOYSA-N 0 3 271.389 3.070 20 70 CGIDHN CC[C@H](N[C@@H](C)CCOC)c1ccc(F)cc1F ZINC000160859311 372283113 /nfs/dbraw/zinc/28/31/13/372283113.db2.gz XUXOTXSIMCCAKD-HZMBPMFUSA-N 0 3 257.324 3.431 20 70 CGIDHN COc1ccccc1[C@H](C)NC[C@H](CO)c1ccccc1 ZINC000161471720 372327507 /nfs/dbraw/zinc/32/75/07/372327507.db2.gz ZVSFDMHWMXRMNP-GOEBONIOSA-N 0 3 285.387 3.122 20 70 CGIDHN CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](N)c1ccccc1 ZINC000217819979 376178691 /nfs/dbraw/zinc/17/86/91/376178691.db2.gz STJPSRULMRQBFB-FVQBIDKESA-N 0 3 274.408 3.162 20 70 CGIDHN COc1cc([C@@H](C)NCc2cccc(CO)c2)ccc1F ZINC000218244833 376187117 /nfs/dbraw/zinc/18/71/17/376187117.db2.gz PGTSYJBTRQXCLQ-GFCCVEGCSA-N 0 3 289.350 3.177 20 70 CGIDHN O[C@@H]1CCC[C@H]1[C@@H]1CCCN1Cc1cc(F)cc(F)c1 ZINC000218730980 392999933 /nfs/dbraw/zinc/99/99/33/392999933.db2.gz MLBGQFXLJJAMIE-HRCADAONSA-N 0 3 281.346 3.090 20 70 CGIDHN CC[C@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000161235832 397658580 /nfs/dbraw/zinc/65/85/80/397658580.db2.gz YSVBYXLBMKNCOI-VNQPRFMTSA-N 0 3 274.408 3.032 20 70 CGIDHN CC(C)Cn1ncnc1CN[C@@H]1CCCC[C@@H]1C(C)C ZINC000160365205 279265904 /nfs/dbraw/zinc/26/59/04/279265904.db2.gz YFODZGJWBNVBLG-HUUCEWRRSA-N 0 3 278.444 3.239 20 70 CGIDHN CCCc1ccc([C@@H](C)N[C@H](CCO)CSC)cc1 ZINC000160252158 321849138 /nfs/dbraw/zinc/84/91/38/321849138.db2.gz KZJXDDJRNJNGKW-CZUORRHYSA-N 0 3 281.465 3.404 20 70 CGIDHN CN(C)Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000161084149 321861801 /nfs/dbraw/zinc/86/18/01/321861801.db2.gz SVIDDJHCLDPNRX-QZTJIDSGSA-N 0 3 294.398 3.034 20 70 CGIDHN CC(C)C[C@@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000160910769 519270611 /nfs/dbraw/zinc/27/06/11/519270611.db2.gz CCUAVJFZBRJABX-AWEZNQCLSA-N 0 3 257.381 3.202 20 70 CGIDHN CC[C@]1(C)CCCN(Cc2cnc3ccccn23)C1 ZINC000160865021 523560963 /nfs/dbraw/zinc/56/09/63/523560963.db2.gz AGSNQMDWIPYCMN-MRXNPFEDSA-N 0 3 257.381 3.346 20 70 CGIDHN Cc1nc2ccccn2c1CN(C)[C@@H](C)C1(C)CC1 ZINC000161442784 527175868 /nfs/dbraw/zinc/17/58/68/527175868.db2.gz POIUEOFCZRKTBL-ZDUSSCGKSA-N 0 3 257.381 3.263 20 70 CGIDHN FC(F)(F)COCCN[C@@H]1CCCOc2ccccc21 ZINC000159363694 372136228 /nfs/dbraw/zinc/13/62/28/372136228.db2.gz CYWROWGMMSMMQR-GFCCVEGCSA-N 0 3 289.297 3.069 20 70 CGIDHN C[C@H](NCCc1ccc(Cl)nc1)c1ccccn1 ZINC000159377280 372137091 /nfs/dbraw/zinc/13/70/91/372137091.db2.gz UCBLYRJPGTVDDL-NSHDSACASA-N 0 3 261.756 3.023 20 70 CGIDHN CC[C@H](NCCCN1CCCC1=O)c1ccc(F)cc1F ZINC000159531712 372152149 /nfs/dbraw/zinc/15/21/49/372152149.db2.gz OTUBCPOFEGBUEI-HNNXBMFYSA-N 0 3 296.361 3.018 20 70 CGIDHN C[C@H](NCCCN1CCCC1=O)c1cc2ccccc2o1 ZINC000159576932 372156901 /nfs/dbraw/zinc/15/69/01/372156901.db2.gz WOUHYGCKRMHTRR-ZDUSSCGKSA-N 0 3 286.375 3.096 20 70 CGIDHN CC[C@H](O)[C@@H]1CCCCN1CCC(=O)c1ccc(C)cc1 ZINC000159763316 372178105 /nfs/dbraw/zinc/17/81/05/372178105.db2.gz BDEHNURFLMUXKD-IRXDYDNUSA-N 0 3 289.419 3.193 20 70 CGIDHN Cc1cnc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)nc1C ZINC000160230935 372227714 /nfs/dbraw/zinc/22/77/14/372227714.db2.gz NUJNPPSSSDNWSE-WMLDXEAASA-N 0 3 296.418 3.026 20 70 CGIDHN Cc1cccc2nc(CN[C@H](C)C3CCCC3)cn21 ZINC000160339804 372239101 /nfs/dbraw/zinc/23/91/01/372239101.db2.gz MWOFTFBTOWHZSQ-CYBMUJFWSA-N 0 3 257.381 3.311 20 70 CGIDHN CCCn1nccc1CN[C@H](C)c1ccccc1C ZINC000159979240 372199982 /nfs/dbraw/zinc/19/99/82/372199982.db2.gz LVRCEDBOHOOJOG-CQSZACIVSA-N 0 3 257.381 3.452 20 70 CGIDHN COc1ccc(OC)c([C@H](C)N[C@H](C)C[C@H]2CCCO2)c1 ZINC000160010507 372203062 /nfs/dbraw/zinc/20/30/62/372203062.db2.gz GDQFKXQXFRRANK-VNHYZAJKSA-N 0 3 293.407 3.312 20 70 CGIDHN CCC[C@@H](N)C(=O)NC1(c2ccccc2)CCCCC1 ZINC000160049859 372206701 /nfs/dbraw/zinc/20/67/01/372206701.db2.gz PDRYKESGCFRLGP-OAHLLOKOSA-N 0 3 274.408 3.090 20 70 CGIDHN C[C@H]1CCC[C@@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000160980351 372293102 /nfs/dbraw/zinc/29/31/02/372293102.db2.gz WFKYAOFPZVPQEM-GOEBONIOSA-N 0 3 288.435 3.304 20 70 CGIDHN CCn1cc([C@H](C)N[C@@H](CCCO)c2ccccc2)cn1 ZINC000160812840 372277127 /nfs/dbraw/zinc/27/71/27/372277127.db2.gz JMHOHANQQXIYOV-YOEHRIQHSA-N 0 3 287.407 3.067 20 70 CGIDHN Cc1cccc([C@@H](C)NC(=O)[C@H](N)Cc2ccccc2)c1C ZINC000160834631 372279615 /nfs/dbraw/zinc/27/96/15/372279615.db2.gz GUQUXLVFFVUZTM-CRAIPNDOSA-N 0 3 296.414 3.051 20 70 CGIDHN CC[C@@H](N[C@H](C)CCOC)c1ccc(F)cc1F ZINC000160859687 372283977 /nfs/dbraw/zinc/28/39/77/372283977.db2.gz XUXOTXSIMCCAKD-QMTHXVAHSA-N 0 3 257.324 3.431 20 70 CGIDHN CCOC[C@H](O)CN[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000161343467 372318382 /nfs/dbraw/zinc/31/83/82/372318382.db2.gz ZUJRCQKRGOEDKR-DNVCBOLYSA-N 0 3 299.414 3.402 20 70 CGIDHN C[C@H](NC[C@H](CO)c1ccccc1)c1cc(F)ccc1F ZINC000161430409 372323210 /nfs/dbraw/zinc/32/32/10/372323210.db2.gz WDGJURCZBOTMEU-GXTWGEPZSA-N 0 3 291.341 3.392 20 70 CGIDHN C[C@@H](NC[C@H](CO)c1ccccc1)c1cccnc1Cl ZINC000161466356 372327380 /nfs/dbraw/zinc/32/73/80/372327380.db2.gz UCCNKIAOSYZKIJ-TZMCWYRMSA-N 0 3 290.794 3.162 20 70 CGIDHN Cc1ccccc1[C@H](NC(=O)[C@H](C)N)[C@H]1CCC[C@H](C)C1 ZINC000159686657 302196344 /nfs/dbraw/zinc/19/63/44/302196344.db2.gz FOTRFUYDDSBBKO-NZUILWFCSA-N 0 3 288.435 3.326 20 70 CGIDHN C[C@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1 ZINC000160157014 321847305 /nfs/dbraw/zinc/84/73/05/321847305.db2.gz OSGKUNZRCXNAGJ-YOEHRIQHSA-N 0 3 286.419 3.271 20 70 CGIDHN COC[C@H](Cc1ccccc1)N[C@@H](C)c1ccco1 ZINC000160196681 321847825 /nfs/dbraw/zinc/84/78/25/321847825.db2.gz PSYFVYHHRYWTNH-ZFWWWQNUSA-N 0 3 259.349 3.188 20 70 CGIDHN CCOCCCN1CCC[C@@H]1c1cccc(F)c1 ZINC000159444675 521706046 /nfs/dbraw/zinc/70/60/46/521706046.db2.gz QGWXMPVVJOTSEI-OAHLLOKOSA-N 0 3 251.345 3.389 20 70 CGIDHN CCSCC[C@@H](C)N(C)Cc1cnc2ccccn12 ZINC000160904292 521711727 /nfs/dbraw/zinc/71/17/27/521711727.db2.gz NZHPZCRMJWZACM-CYBMUJFWSA-N 0 3 277.437 3.298 20 70 CGIDHN Cc1cccc(C(=O)Nc2cccc(CN(C)C)c2)c1F ZINC000161451109 524221236 /nfs/dbraw/zinc/22/12/36/524221236.db2.gz DZUNLYVSKBCJTC-UHFFFAOYSA-N 0 3 286.350 3.448 20 70 CGIDHN CN(CC1CC1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000159388548 372137184 /nfs/dbraw/zinc/13/71/84/372137184.db2.gz VQJRVEMHSYMNIN-HNNXBMFYSA-N 0 3 292.810 3.177 20 70 CGIDHN CC[C@H](C(=O)NCC(C)(C)c1ccc(Cl)cc1)N(C)C ZINC000159387295 372138236 /nfs/dbraw/zinc/13/82/36/372138236.db2.gz WYNOCZGMPCJLTI-CQSZACIVSA-N 0 3 296.842 3.074 20 70 CGIDHN C[C@@H](c1cc2ccccc2o1)N(C)CCn1ccnc1 ZINC000159688559 372169877 /nfs/dbraw/zinc/16/98/77/372169877.db2.gz RPFZJVXRWPWTLQ-ZDUSSCGKSA-N 0 3 269.348 3.322 20 70 CGIDHN C[C@@H](N[C@H](C)C1CC1)c1ccc(-n2cncn2)cc1Cl ZINC000160132504 372216920 /nfs/dbraw/zinc/21/69/20/372216920.db2.gz UPPFRQXZZUFBFH-GHMZBOCLSA-N 0 3 290.798 3.370 20 70 CGIDHN Cc1cccc([C@H](C)NCc2nc(C)ccc2O)c1 ZINC000160193008 372224565 /nfs/dbraw/zinc/22/45/65/372224565.db2.gz GZEZHZRZIOFHAP-ZDUSSCGKSA-N 0 3 256.349 3.255 20 70 CGIDHN Cc1cccc([C@H](C)[NH2+]Cc2nc(C)ccc2[O-])c1 ZINC000160193008 372224570 /nfs/dbraw/zinc/22/45/70/372224570.db2.gz GZEZHZRZIOFHAP-ZDUSSCGKSA-N 0 3 256.349 3.255 20 70 CGIDHN Cc1cc2ccccc2nc1N[C@H]1CCN(C)[C@H](C)C1 ZINC000160245876 372229433 /nfs/dbraw/zinc/22/94/33/372229433.db2.gz DJIHPHSCTBATIJ-HIFRSBDPSA-N 0 3 269.392 3.438 20 70 CGIDHN CCCO[C@@H]1CCCN(Cc2cnc3ccccn23)CC1 ZINC000160275633 372233196 /nfs/dbraw/zinc/23/31/96/372233196.db2.gz ACKFNGMXISEKHO-MRXNPFEDSA-N 0 3 287.407 3.115 20 70 CGIDHN C[C@@H](N[C@H](C)c1ccc(-n2ccnn2)cc1)c1ccncc1 ZINC000159908998 372192355 /nfs/dbraw/zinc/19/23/55/372192355.db2.gz GZSCWVVCGPBCPX-ZIAGYGMSSA-N 0 3 293.374 3.074 20 70 CGIDHN CN(Cc1cnc2ccccn12)[C@@H]1CCc2ccccc2C1 ZINC000160416773 372246652 /nfs/dbraw/zinc/24/66/52/372246652.db2.gz QZPNTHWDFYLTOK-QGZVFWFLSA-N 0 3 291.398 3.324 20 70 CGIDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C1CCC(C)(C)CC1 ZINC000160654664 372266447 /nfs/dbraw/zinc/26/64/47/372266447.db2.gz JMPJPUMRWDLBRD-ZFWWWQNUSA-N 0 3 280.456 3.001 20 70 CGIDHN CC[C@@H](NCCCc1cnn(C)c1)c1ccc(F)cc1F ZINC000160868199 372283964 /nfs/dbraw/zinc/28/39/64/372283964.db2.gz CKPMVUVEQXOOEV-MRXNPFEDSA-N 0 3 293.361 3.372 20 70 CGIDHN Cc1c(CN[C@@H](C)c2ccc(C)c(C)c2)cnn1C ZINC000161312092 372315702 /nfs/dbraw/zinc/31/57/02/372315702.db2.gz HMMJTNGWEWYCQK-ZDUSSCGKSA-N 0 3 257.381 3.196 20 70 CGIDHN C[C@@H](NC[C@@H](CO)c1ccccc1)c1ccccc1F ZINC000161400732 372321743 /nfs/dbraw/zinc/32/17/43/372321743.db2.gz HVIFOBSGSGRACI-HIFRSBDPSA-N 0 3 273.351 3.252 20 70 CGIDHN COc1ccccc1[C@@H](C)NC[C@@H](CO)c1ccccc1 ZINC000161471624 372326849 /nfs/dbraw/zinc/32/68/49/372326849.db2.gz ZVSFDMHWMXRMNP-ZBFHGGJFSA-N 0 3 285.387 3.122 20 70 CGIDHN CCCn1c(CNC[C@](C)(O)CCC)nc2ccccc21 ZINC000217805366 376178791 /nfs/dbraw/zinc/17/87/91/376178791.db2.gz LIRNKJXDFIYWBP-QGZVFWFLSA-N 0 3 289.423 3.087 20 70 CGIDHN CSc1ccc(CNCCNC(=O)OC(C)(C)C)cc1 ZINC000218136029 376185427 /nfs/dbraw/zinc/18/54/27/376185427.db2.gz MLLWTODQCQDGRB-UHFFFAOYSA-N 0 3 296.436 3.023 20 70 CGIDHN NCc1cccc(NC(=O)C2C3CC4CC(C3)CC2C4)c1 ZINC000160083743 542152537 /nfs/dbraw/zinc/15/25/37/542152537.db2.gz XGGJZLZWKZFRDT-UHFFFAOYSA-N 0 3 284.403 3.156 20 70 CGIDHN Cc1nn(-c2ccccc2)c(C)c1CN[C@H]1CCSC1 ZINC000218619226 392998358 /nfs/dbraw/zinc/99/83/58/392998358.db2.gz BGEJMSXIIFZCID-AWEZNQCLSA-N 0 3 287.432 3.084 20 70 CGIDHN C[C@@H](N[C@@H](C)c1ccc(-n2cncn2)cc1Cl)C1CC1 ZINC000160132391 287050523 /nfs/dbraw/zinc/05/05/23/287050523.db2.gz UPPFRQXZZUFBFH-MNOVXSKESA-N 0 3 290.798 3.370 20 70 CGIDHN Cc1ccccc1[C@H](NC(=O)[C@@H](C)N)[C@@H]1CCC[C@H](C)C1 ZINC000159687622 302196134 /nfs/dbraw/zinc/19/61/34/302196134.db2.gz FOTRFUYDDSBBKO-DPAVQSFQSA-N 0 3 288.435 3.326 20 70 CGIDHN CSCC[C@H](C)N(C)Cc1c(C)nc2ccccn21 ZINC000160508364 525564874 /nfs/dbraw/zinc/56/48/74/525564874.db2.gz JGUCFRIPSKBDEY-LBPRGKRZSA-N 0 3 277.437 3.216 20 70 CGIDHN Cc1nc2ccccn2c1CN1CCCC(C)(C)C1 ZINC000160384255 527177310 /nfs/dbraw/zinc/17/73/10/527177310.db2.gz GYHYYKXVGJDWRZ-UHFFFAOYSA-N 0 3 257.381 3.265 20 70 CGIDHN CC(C)Cn1ncnc1CN[C@@H]1CCCC[C@H]1C(C)C ZINC000160365465 528763373 /nfs/dbraw/zinc/76/33/73/528763373.db2.gz YFODZGJWBNVBLG-LSDHHAIUSA-N 0 3 278.444 3.239 20 70 CGIDHN c1coc(CN(CCOCC2CC2)C2CCCC2)c1 ZINC000159369044 372135940 /nfs/dbraw/zinc/13/59/40/372135940.db2.gz PKYVAGFKTYMVFO-UHFFFAOYSA-N 0 3 263.381 3.451 20 70 CGIDHN CC1(C)Cc2cccc(CN3CCCC[C@H]3CCO)c2O1 ZINC000159720272 372171961 /nfs/dbraw/zinc/17/19/61/372171961.db2.gz MSTYRFMFDMFMLK-INIZCTEOSA-N 0 3 289.419 3.137 20 70 CGIDHN C[C@@H](NCCO)c1ccc(Oc2ccccc2)cc1 ZINC000159704931 372172606 /nfs/dbraw/zinc/17/26/06/372172606.db2.gz HNTVWMBREBQIPY-CYBMUJFWSA-N 0 3 257.333 3.122 20 70 CGIDHN CCCCOCCN1CCC[C@H]1c1cccc(C)n1 ZINC000159735806 372173714 /nfs/dbraw/zinc/17/37/14/372173714.db2.gz LVDZIMGZUHMAIG-INIZCTEOSA-N 0 3 262.397 3.344 20 70 CGIDHN C[C@H](N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000160203408 372224644 /nfs/dbraw/zinc/22/46/44/372224644.db2.gz JYMNWOUKGRPDQF-ZOBUZTSGSA-N 0 3 284.403 3.451 20 70 CGIDHN C[C@](O)(CN[C@H]1CCc2cc(F)ccc21)c1ccsc1 ZINC000159872090 372189186 /nfs/dbraw/zinc/18/91/86/372189186.db2.gz HVZAXYVJBWLNFH-HOTGVXAUSA-N 0 3 291.391 3.372 20 70 CGIDHN COC[C@H](NCc1c(C)nn(-c2ccccc2)c1C)C1CC1 ZINC000159874697 372191370 /nfs/dbraw/zinc/19/13/70/372191370.db2.gz COVYIUIAHDMJPH-SFHVURJKSA-N 0 3 299.418 3.004 20 70 CGIDHN C[C@H]1CCCN1Cc1nc2ccc(Br)cc2[nH]1 ZINC000159916439 372193237 /nfs/dbraw/zinc/19/32/37/372193237.db2.gz VMBBTFJKJTZVOU-VIFPVBQESA-N 0 3 294.196 3.310 20 70 CGIDHN Cc1ccc(CN[C@H](C)c2cnc(C)nc2C)s1 ZINC000160920745 372289300 /nfs/dbraw/zinc/28/93/00/372289300.db2.gz BBOFMLSVXWXNCG-SNVBAGLBSA-N 0 3 261.394 3.314 20 70 CGIDHN CN(Cc1cccc(F)c1)Cc1cccc2c[nH]nc21 ZINC000160461965 372249474 /nfs/dbraw/zinc/24/94/74/372249474.db2.gz TZXJDGLKCHICQQ-UHFFFAOYSA-N 0 3 269.323 3.334 20 70 CGIDHN CCCC1(CNC(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000160562814 372257620 /nfs/dbraw/zinc/25/76/20/372257620.db2.gz LDLWXUUUGIHSTG-UHFFFAOYSA-N 0 3 274.408 3.058 20 70 CGIDHN CC1(C)C[C@H](NCc2cc(F)c(F)c(F)c2)CCO1 ZINC000160632457 372264049 /nfs/dbraw/zinc/26/40/49/372264049.db2.gz RPVUZJHVYUFHAS-SNVBAGLBSA-N 0 3 273.298 3.151 20 70 CGIDHN C[C@H](CN[C@@H](C)c1cncs1)N(C)Cc1ccccc1 ZINC000160862133 372282914 /nfs/dbraw/zinc/28/29/14/372282914.db2.gz DRPAJBUKHALZNH-KGLIPLIRSA-N 0 3 289.448 3.314 20 70 CGIDHN CCCN(CCO)Cc1ccc(-c2ccccc2)o1 ZINC000161193058 372309543 /nfs/dbraw/zinc/30/95/43/372309543.db2.gz OSAPIPLUQFYLTB-UHFFFAOYSA-N 0 3 259.349 3.151 20 70 CGIDHN CC[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccccc1 ZINC000161414411 372321053 /nfs/dbraw/zinc/32/10/53/372321053.db2.gz HZSPUWKXQZLRID-ZBFHGGJFSA-N 0 3 295.448 3.019 20 70 CGIDHN c1cc2cccc(CNCc3ccc4c(c3)OCO4)c2[nH]1 ZINC000218063127 376182986 /nfs/dbraw/zinc/18/29/86/376182986.db2.gz NZFSQAZLIZGYPV-UHFFFAOYSA-N 0 3 280.327 3.186 20 70 CGIDHN CCC[C@@](C)(O)CN[C@H](C)c1ccc(F)c(OC)c1 ZINC000218248677 376187563 /nfs/dbraw/zinc/18/75/63/376187563.db2.gz UTNIBJGCMXHQTE-IAQYHMDHSA-N 0 3 269.360 3.036 20 70 CGIDHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000217951606 285648479 /nfs/dbraw/zinc/64/84/79/285648479.db2.gz HQMQUNBVDHUSKB-JCURWCKSSA-N 0 3 290.407 3.253 20 70 CGIDHN C[C@@H](N[C@H]1CCCSC1)c1ccc(F)cc1N(C)C ZINC000159623066 287067984 /nfs/dbraw/zinc/06/79/84/287067984.db2.gz LIWNNUSKPUBIRU-YPMHNXCESA-N 0 3 282.428 3.438 20 70 CGIDHN COC[C@H](C)NCc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000160836362 321858970 /nfs/dbraw/zinc/85/89/70/321858970.db2.gz XNXDBTRXWYSOFJ-UONOGXRCSA-N 0 3 280.412 3.020 20 70 CGIDHN CC(C)n1cccc1C(=O)NCC(C)(C)N1CCCCC1 ZINC000160906279 321860196 /nfs/dbraw/zinc/86/01/96/321860196.db2.gz CGTXRFVMQFTLGV-UHFFFAOYSA-N 0 3 291.439 3.063 20 70 CGIDHN COc1ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)cc1Cl ZINC000161447493 524037964 /nfs/dbraw/zinc/03/79/64/524037964.db2.gz DWQFSSQNMJAIFQ-HIFRSBDPSA-N 0 3 295.810 3.350 20 70 CGIDHN CCSCC[C@@H](C)NCc1cnc2ccccc2n1 ZINC000160069041 346170177 /nfs/dbraw/zinc/17/01/77/346170177.db2.gz VXTFPKIYBOIUSH-GFCCVEGCSA-N 0 3 275.421 3.251 20 70 CGIDHN C[C@H](NCc1cccc2cc[nH]c21)c1cccnc1 ZINC000218075127 138493001 /nfs/dbraw/zinc/49/30/01/138493001.db2.gz VOFPRPURJAZXOW-LBPRGKRZSA-N 0 3 251.333 3.414 20 70 CGIDHN C[C@@H](NCCc1ccc(Cl)nc1)c1ccccn1 ZINC000159377413 372138106 /nfs/dbraw/zinc/13/81/06/372138106.db2.gz UCBLYRJPGTVDDL-LLVKDONJSA-N 0 3 261.756 3.023 20 70 CGIDHN C[C@@H]1CCC[C@H](C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000159716838 372172008 /nfs/dbraw/zinc/17/20/08/372172008.db2.gz FICARLJCDKSFRB-PBHICJAKSA-N 0 3 288.435 3.191 20 70 CGIDHN CC(C)Oc1ccc(CN[C@H]2CC(C)(C)OC2(C)C)cn1 ZINC000160096118 372212030 /nfs/dbraw/zinc/21/20/30/372212030.db2.gz IGOHZBRVVPROAM-AWEZNQCLSA-N 0 3 292.423 3.305 20 70 CGIDHN Cc1cc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)nc(C)n1 ZINC000160212835 372225596 /nfs/dbraw/zinc/22/55/96/372225596.db2.gz SJPKGPYFKXHQQB-GUYCJALGSA-N 0 3 296.418 3.026 20 70 CGIDHN CC[C@@H](NCCOc1cccc(Cl)c1)c1cnn(C)c1 ZINC000160250816 372229515 /nfs/dbraw/zinc/22/95/15/372229515.db2.gz YQUZFZBMKHDMAY-OAHLLOKOSA-N 0 3 293.798 3.193 20 70 CGIDHN CSC[C@H](CCO)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000160323698 372237811 /nfs/dbraw/zinc/23/78/11/372237811.db2.gz WAJUSBUXIMPIAP-HIFRSBDPSA-N 0 3 297.464 3.238 20 70 CGIDHN COc1ccc([C@H](C)N[C@H]2CCOC(C)(C)C2)c(F)c1 ZINC000159952598 372198588 /nfs/dbraw/zinc/19/85/88/372198588.db2.gz LBGFUWGIIPWTGO-RYUDHWBXSA-N 0 3 281.371 3.443 20 70 CGIDHN CCCN(CCO)Cc1ccccc1OC1CCCC1 ZINC000161198002 372309049 /nfs/dbraw/zinc/30/90/49/372309049.db2.gz CHLQEIMHHFGLGP-UHFFFAOYSA-N 0 3 277.408 3.212 20 70 CGIDHN CC(C)(C)OC(=O)NCCNCc1cc2ccccc2o1 ZINC000218128487 376185114 /nfs/dbraw/zinc/18/51/14/376185114.db2.gz CMWCFBNWCJAVGC-UHFFFAOYSA-N 0 3 290.363 3.047 20 70 CGIDHN COc1cc([C@H](C)N[C@H]2C[C@@H](OC)C2(C)C)ccc1F ZINC000218267018 376187509 /nfs/dbraw/zinc/18/75/09/376187509.db2.gz BWMHXVXQXWABQY-NZVBXONLSA-N 0 3 281.371 3.298 20 70 CGIDHN CCCn1nccc1CN[C@@H]1CCc2ccccc21 ZINC000159981292 542152133 /nfs/dbraw/zinc/15/21/33/542152133.db2.gz QQZFCUAOOZJCAP-MRXNPFEDSA-N 0 3 255.365 3.070 20 70 CGIDHN CCOCCCN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000159550507 286056365 /nfs/dbraw/zinc/05/63/65/286056365.db2.gz GOKBEABJTDMSIE-QGZVFWFLSA-N 0 3 277.408 3.094 20 70 CGIDHN C[C@@H](N[C@@H]1CCOC(C)(C)C1)c1nc2ccccc2n1C ZINC000159934937 278373430 /nfs/dbraw/zinc/37/34/30/278373430.db2.gz GRMKFTXSBIVWQK-CHWSQXEVSA-N 0 3 287.407 3.182 20 70 CGIDHN Cc1nc2ccccn2c1CN1CCS[C@H](C(C)C)C1 ZINC000160878591 527178041 /nfs/dbraw/zinc/17/80/41/527178041.db2.gz QMSXHZACWIOBED-HNNXBMFYSA-N 0 3 289.448 3.216 20 70 CGIDHN COc1ccc([C@@H](NCc2cn(C)nc2C)C(C)C)cc1 ZINC000159638844 346168428 /nfs/dbraw/zinc/16/84/28/346168428.db2.gz RENJWQCOJWCJRR-KRWDZBQOSA-N 0 3 287.407 3.224 20 70 CGIDHN CC[C@@H](NCCOC[C@H]1CCCO1)c1ccc(F)cc1F ZINC000160931456 346173895 /nfs/dbraw/zinc/17/38/95/346173895.db2.gz LOFGHUJZBDEBGO-CZUORRHYSA-N 0 3 299.361 3.201 20 70 CGIDHN COc1ccc2c(c1)[C@@H](N[C@@H]1CCCSC1)CCCO2 ZINC000159531255 372152183 /nfs/dbraw/zinc/15/21/83/372152183.db2.gz VGDPNMCNYTXHBR-DOMZBBRYSA-N 0 3 293.432 3.394 20 70 CGIDHN CC(C)C[C@H](N)C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000159624889 372162835 /nfs/dbraw/zinc/16/28/35/372162835.db2.gz SLORBJDVEBLQOO-RNCFNFMXSA-N 0 3 286.778 3.030 20 70 CGIDHN CCCCOC(=O)CCN1CCC[C@@H]1c1cccc(C)n1 ZINC000160107200 372214416 /nfs/dbraw/zinc/21/44/16/372214416.db2.gz HHMMRUXCUWXARF-MRXNPFEDSA-N 0 3 290.407 3.260 20 70 CGIDHN CC(C)(CCO)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000160154268 372218754 /nfs/dbraw/zinc/21/87/54/372218754.db2.gz UXPBWOVAGHKGOC-UHFFFAOYSA-N 0 3 279.277 3.095 20 70 CGIDHN Cc1cc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)nc(C)n1 ZINC000160212676 372226582 /nfs/dbraw/zinc/22/65/82/372226582.db2.gz SJPKGPYFKXHQQB-SUMWQHHRSA-N 0 3 296.418 3.026 20 70 CGIDHN COc1ccc([C@H](C)NC[C@H]2CCC(C)(C)O2)cc1OC ZINC000160232253 372227784 /nfs/dbraw/zinc/22/77/84/372227784.db2.gz LFEDNCRQJYJLLN-GXTWGEPZSA-N 0 3 293.407 3.312 20 70 CGIDHN CSC[C@H]1CCCN1CCC(=O)c1ccc(C)cc1 ZINC000160305174 372236005 /nfs/dbraw/zinc/23/60/05/372236005.db2.gz FVFNKPBYDYYJQN-OAHLLOKOSA-N 0 3 277.433 3.395 20 70 CGIDHN Cc1cccc2nc(CN[C@H]3CC(C)(C)OC3(C)C)cn21 ZINC000160338341 372239407 /nfs/dbraw/zinc/23/94/07/372239407.db2.gz KHIDLMIOBKCTCZ-AWEZNQCLSA-N 0 3 287.407 3.078 20 70 CGIDHN CC1(C)C[C@@H](NCc2cc(F)c(F)c(F)c2)CCO1 ZINC000160632584 372265036 /nfs/dbraw/zinc/26/50/36/372265036.db2.gz RPVUZJHVYUFHAS-JTQLQIEISA-N 0 3 273.298 3.151 20 70 CGIDHN CC[C@@H](NC[C@@H]1CCCO1)c1ccc(F)cc1F ZINC000160652166 372265285 /nfs/dbraw/zinc/26/52/85/372265285.db2.gz XRUSSEDDCHQNIE-SMDDNHRTSA-N 0 3 255.308 3.185 20 70 CGIDHN CCCC1(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000160646685 372265298 /nfs/dbraw/zinc/26/52/98/372265298.db2.gz WPAQIALVWNNEHI-UHFFFAOYSA-N 0 3 274.408 3.058 20 70 CGIDHN CN(C)[C@@H](CNCc1cccc2cc[nH]c21)c1ccco1 ZINC000218067574 376183035 /nfs/dbraw/zinc/18/30/35/376183035.db2.gz RAHHXUHHAAZKBW-HNNXBMFYSA-N 0 3 283.375 3.153 20 70 CGIDHN CCCn1nccc1CNCCCOC1CCCCC1 ZINC000159989248 542152072 /nfs/dbraw/zinc/15/20/72/542152072.db2.gz BLHFXXNLEPIHQN-UHFFFAOYSA-N 0 3 279.428 3.122 20 70 CGIDHN CCCn1nccc1CN[C@H]1CCCc2ccccc21 ZINC000159982475 542151767 /nfs/dbraw/zinc/15/17/67/542151767.db2.gz WJONVPPRQHZCNU-KRWDZBQOSA-N 0 3 269.392 3.460 20 70 CGIDHN CC(C)(O)CN[C@@H]1CCSc2c(Cl)cccc21 ZINC000160647670 542154866 /nfs/dbraw/zinc/15/48/66/542154866.db2.gz GQQOTQRYYRJUCI-LLVKDONJSA-N 0 3 271.813 3.237 20 70 CGIDHN COCCN1CCC(c2ccc(Br)cc2)CC1 ZINC000217258793 392994426 /nfs/dbraw/zinc/99/44/26/392994426.db2.gz AYARBVOCBLYVAM-UHFFFAOYSA-N 0 3 298.224 3.275 20 70 CGIDHN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000159889217 302166731 /nfs/dbraw/zinc/16/67/31/302166731.db2.gz KQJZQBORIWIDBY-SQWLQELKSA-N 0 3 288.435 3.073 20 70 CGIDHN Cc1ccccc1[C@H](C)NCCNC(=O)CC1CCCC1 ZINC000159404477 321834135 /nfs/dbraw/zinc/83/41/35/321834135.db2.gz BSYZHDZLGUEEJR-HNNXBMFYSA-N 0 3 288.435 3.342 20 70 CGIDHN CN(C)Cc1ccc(C(=O)Nc2ccccc2N(C)C)cc1 ZINC000159993447 321844293 /nfs/dbraw/zinc/84/42/93/321844293.db2.gz VQERGZUMJSPZOY-UHFFFAOYSA-N 0 3 297.402 3.067 20 70 CGIDHN CSCC[C@@H](C)N(C)Cc1c(C)nc2ccccn21 ZINC000160508502 525525849 /nfs/dbraw/zinc/52/58/49/525525849.db2.gz JGUCFRIPSKBDEY-GFCCVEGCSA-N 0 3 277.437 3.216 20 70 CGIDHN Cc1ccc(CN[C@H](C)c2ccc(-n3cccn3)cc2)cn1 ZINC000161297066 572448821 /nfs/dbraw/zinc/44/88/21/572448821.db2.gz UESBJVBTPOXLJT-OAHLLOKOSA-N 0 3 292.386 3.427 20 70 CGIDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(C(C)C)cc1)CC2 ZINC000160302051 282117537 /nfs/dbraw/zinc/11/75/37/282117537.db2.gz MGQWKLCXWUSOBZ-GUYCJALGSA-N 0 3 298.434 3.376 20 70 CGIDHN Cc1cccc([C@@H]2CCCN2CCc2ccccn2)n1 ZINC000159752103 372175347 /nfs/dbraw/zinc/17/53/47/372175347.db2.gz RDRUIIGUJSAPPH-KRWDZBQOSA-N 0 3 267.376 3.165 20 70 CGIDHN Cc1nc2ccccn2c1CN1[C@@H](C)CCC[C@@H]1C ZINC000159774850 372177647 /nfs/dbraw/zinc/17/76/47/372177647.db2.gz FMNUPIAZWZPQGI-STQMWFEESA-N 0 3 257.381 3.406 20 70 CGIDHN CCOc1ccccc1[C@@H](C)NCC1(CO)CCCC1 ZINC000160069134 372208882 /nfs/dbraw/zinc/20/88/82/372208882.db2.gz CKQKGUGLRXYWSJ-CQSZACIVSA-N 0 3 277.408 3.289 20 70 CGIDHN COC[C@@H](Cc1ccccc1)N[C@H](C)c1ccco1 ZINC000160197096 372223856 /nfs/dbraw/zinc/22/38/56/372223856.db2.gz PSYFVYHHRYWTNH-UKRRQHHQSA-N 0 3 259.349 3.188 20 70 CGIDHN Cc1nn(C)c(C)c1CN[C@@H](C)c1cccc(C)c1 ZINC000160204500 372224661 /nfs/dbraw/zinc/22/46/61/372224661.db2.gz GSPCNEIQAKJGBN-LBPRGKRZSA-N 0 3 257.381 3.196 20 70 CGIDHN CCc1nc(CN[C@@H](CC(C)C)c2ccccc2)n[nH]1 ZINC000160274399 372231739 /nfs/dbraw/zinc/23/17/39/372231739.db2.gz XDMITWWFHPABQF-AWEZNQCLSA-N 0 3 272.396 3.244 20 70 CGIDHN CCn1cc([C@@H](C)NC[C@@H](C)N2CCc3ccccc32)cn1 ZINC000159924438 372195024 /nfs/dbraw/zinc/19/50/24/372195024.db2.gz PYRBMQQHZQPAJL-HUUCEWRRSA-N 0 3 298.434 3.005 20 70 CGIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000160584882 372259412 /nfs/dbraw/zinc/25/94/12/372259412.db2.gz PQOBGWPTMUUGMZ-KBPBESRZSA-N 0 3 292.423 3.390 20 70 CGIDHN c1nc2ccccn2c1CN1CC[C@@H](Cc2ccccc2)C1 ZINC000160594303 372260976 /nfs/dbraw/zinc/26/09/76/372260976.db2.gz AAWGCCBWKQVZHT-KRWDZBQOSA-N 0 3 291.398 3.399 20 70 CGIDHN C[C@@H]1C[C@@H](N(C)C(=O)C2CCC(C)(C)CC2)CCN1C ZINC000160658501 372266913 /nfs/dbraw/zinc/26/69/13/372266913.db2.gz MUSNNEZPNJRIOZ-HIFRSBDPSA-N 0 3 280.456 3.144 20 70 CGIDHN Cc1ccc(C)c([C@H](C)NCCNC(=O)c2ccccc2)c1 ZINC000160710988 372269651 /nfs/dbraw/zinc/26/96/51/372269651.db2.gz XJANPUWJHZPWKP-INIZCTEOSA-N 0 3 296.414 3.384 20 70 CGIDHN CC[C@H](NCCCc1cnn(C)c1)c1ccc(F)cc1F ZINC000160868061 372282941 /nfs/dbraw/zinc/28/29/41/372282941.db2.gz CKPMVUVEQXOOEV-INIZCTEOSA-N 0 3 293.361 3.372 20 70 CGIDHN C[C@@H](NC[C@H](CO)c1ccccc1)c1cc(F)ccc1F ZINC000161430540 372323003 /nfs/dbraw/zinc/32/30/03/372323003.db2.gz WDGJURCZBOTMEU-TZMCWYRMSA-N 0 3 291.341 3.392 20 70 CGIDHN O=C([C@H](NC1CC=CC1)c1ccccc1)N1CCCCC1 ZINC000160894646 542156372 /nfs/dbraw/zinc/15/63/72/542156372.db2.gz WUYNEDKRCWHQFA-QGZVFWFLSA-N 0 3 284.403 3.048 20 70 CGIDHN C[C@@H](NCCOc1ccc(F)cc1F)c1cncc(F)c1 ZINC000160088789 165477710 /nfs/dbraw/zinc/47/77/10/165477710.db2.gz JFPFYMQBRCXOME-SNVBAGLBSA-N 0 3 296.292 3.229 20 70 CGIDHN CCCN(CCN(C)C)C(=O)[C@@H](CC)c1ccc(F)cc1 ZINC000160335610 321850392 /nfs/dbraw/zinc/85/03/92/321850392.db2.gz CREUOXUYSGCJNT-INIZCTEOSA-N 0 3 294.414 3.120 20 70 CGIDHN C[C@H]1CCC[C@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000160980098 321860594 /nfs/dbraw/zinc/86/05/94/321860594.db2.gz WFKYAOFPZVPQEM-HOCLYGCPSA-N 0 3 288.435 3.304 20 70 CGIDHN CCS[C@H]1CC[C@H](N(C)Cc2cnc3ccccn23)C1 ZINC000160879553 521733156 /nfs/dbraw/zinc/73/31/56/521733156.db2.gz WHRSHVDZHDFYOC-ZFWWWQNUSA-N 0 3 289.448 3.440 20 70 CGIDHN COc1ccc([C@H](NCc2cn(C)nc2C)C(C)C)cc1 ZINC000159638706 346168352 /nfs/dbraw/zinc/16/83/52/346168352.db2.gz RENJWQCOJWCJRR-QGZVFWFLSA-N 0 3 287.407 3.224 20 70 CGIDHN CN(C)[C@@H](CNCc1coc2ccccc12)c1ccco1 ZINC000159795420 372181277 /nfs/dbraw/zinc/18/12/77/372181277.db2.gz ZDGCYPHWHXKKRL-HNNXBMFYSA-N 0 3 284.359 3.418 20 70 CGIDHN CCCCO[C@H]1C[C@@H](N[C@@H](C)c2cnccn2)C1(C)C ZINC000159779873 372179494 /nfs/dbraw/zinc/17/94/94/372179494.db2.gz VGDHVDUZIMSQFN-CFVMTHIKSA-N 0 3 277.412 3.111 20 70 CGIDHN C[C@H](NCCOc1ccc(F)cc1F)c1cncc(F)c1 ZINC000160088644 372210437 /nfs/dbraw/zinc/21/04/37/372210437.db2.gz JFPFYMQBRCXOME-JTQLQIEISA-N 0 3 296.292 3.229 20 70 CGIDHN CCCC[C@@H](COC)NCc1ccc(OC(C)C)nc1 ZINC000160079922 372211066 /nfs/dbraw/zinc/21/10/66/372211066.db2.gz JFSOFDSDZKXYNV-HNNXBMFYSA-N 0 3 280.412 3.164 20 70 CGIDHN CCc1nc(CN[C@H](CC(C)C)c2ccccc2)n[nH]1 ZINC000160274538 372231206 /nfs/dbraw/zinc/23/12/06/372231206.db2.gz XDMITWWFHPABQF-CQSZACIVSA-N 0 3 272.396 3.244 20 70 CGIDHN COc1ccccc1CCN(C)Cc1ccc(C)cn1 ZINC000159859921 372187545 /nfs/dbraw/zinc/18/75/45/372187545.db2.gz LYQBQUFVIYUEMH-UHFFFAOYSA-N 0 3 270.376 3.073 20 70 CGIDHN COc1ccc(OC)c([C@H](C)N[C@@H](C)C[C@@H]2CCCO2)c1 ZINC000160010125 372203123 /nfs/dbraw/zinc/20/31/23/372203123.db2.gz GDQFKXQXFRRANK-YDHLFZDLSA-N 0 3 293.407 3.312 20 70 CGIDHN CCOCCNC/C(C)=C/c1ccc(Cl)cc1 ZINC000160027688 372205448 /nfs/dbraw/zinc/20/54/48/372205448.db2.gz OQIIXSRFWSGCDG-ZRDIBKRKSA-N 0 3 253.773 3.369 20 70 CGIDHN COc1ccc(CN(C)CCOCC2CC2)cc1Cl ZINC000161015427 372294785 /nfs/dbraw/zinc/29/47/85/372294785.db2.gz HWUBOASUVJNRIX-UHFFFAOYSA-N 0 3 283.799 3.207 20 70 CGIDHN CC(C)C[C@@H](NC[C@H]1CCCC[C@@H]1O)c1ccccn1 ZINC000160466634 372250326 /nfs/dbraw/zinc/25/03/26/372250326.db2.gz TZHUGHWLKYBVSG-OIISXLGYSA-N 0 3 276.424 3.310 20 70 CGIDHN C[C@@H]1C[C@H](N(C)C(=O)C2CCC(C)(C)CC2)CCN1C ZINC000160658254 372266072 /nfs/dbraw/zinc/26/60/72/372266072.db2.gz MUSNNEZPNJRIOZ-UKRRQHHQSA-N 0 3 280.456 3.144 20 70 CGIDHN CC[C@@H](NCC1(C)COC1)c1ccc(F)cc1F ZINC000160915280 372287209 /nfs/dbraw/zinc/28/72/09/372287209.db2.gz SCYHUHBFXFFNNT-CYBMUJFWSA-N 0 3 255.308 3.042 20 70 CGIDHN C[C@H](NC[C@@H](CO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000161503917 372329316 /nfs/dbraw/zinc/32/93/16/372329316.db2.gz CDOAYERSMHJHGD-WFASDCNBSA-N 0 3 291.341 3.392 20 70 CGIDHN O=c1ccc2c([nH]1)CCC[C@H]2N[C@H]1CCc2ccccc21 ZINC000160961244 285222152 /nfs/dbraw/zinc/22/21/52/285222152.db2.gz LCWOUQUWYNHDRP-WBVHZDCISA-N 0 3 280.371 3.029 20 70 CGIDHN O[C@H]1CCCC[C@@H]1CN[C@@H]1CCCOc2ccc(F)cc21 ZINC000160495342 296583617 /nfs/dbraw/zinc/58/36/17/296583617.db2.gz YVSVQXVSIQVRRO-WQVCFCJDSA-N 0 3 293.382 3.180 20 70 CGIDHN COc1ccc(OC)c([C@H](C)N[C@H](C)C[C@@H]2CCCO2)c1 ZINC000160010260 165470706 /nfs/dbraw/zinc/47/07/06/165470706.db2.gz GDQFKXQXFRRANK-IPYPFGDCSA-N 0 3 293.407 3.312 20 70 CGIDHN COc1ccc([C@H](C)N[C@H]2CCCC[C@H]2OC)cc1F ZINC000218197755 270085541 /nfs/dbraw/zinc/08/55/41/270085541.db2.gz UGUMBIMBGCDTBJ-HZUKXOBISA-N 0 3 281.371 3.443 20 70 CGIDHN COc1cccc(Cl)c1CN[C@@H]1CCOC(C)(C)C1 ZINC000159778556 278014879 /nfs/dbraw/zinc/01/48/79/278014879.db2.gz GNPQELNBHNZHDZ-LLVKDONJSA-N 0 3 283.799 3.396 20 70 CGIDHN O=c1ccc2c([nH]1)CCC[C@H]2N[C@@H]1CCc2ccccc21 ZINC000160961358 280395139 /nfs/dbraw/zinc/39/51/39/280395139.db2.gz LCWOUQUWYNHDRP-NVXWUHKLSA-N 0 3 280.371 3.029 20 70 CGIDHN CC[C@@H](CC(=O)NC[C@H]1CCCN1C)c1ccc(C)cc1 ZINC000160130428 346169822 /nfs/dbraw/zinc/16/98/22/346169822.db2.gz GCNNKGGWKZXYNK-DOTOQJQBSA-N 0 3 288.435 3.089 20 70 CGIDHN CC[C@H](NCCC(=O)OC(C)C)c1ccc(F)cc1 ZINC000160693536 346172146 /nfs/dbraw/zinc/17/21/46/346172146.db2.gz KSUDAFLEFYGDOX-AWEZNQCLSA-N 0 3 267.344 3.208 20 70 CGIDHN COCc1cccc(CNCc2cccc3c2NCC3)c1 ZINC000159385193 372137789 /nfs/dbraw/zinc/13/77/89/372137789.db2.gz PFIQQQWHUNVAFR-UHFFFAOYSA-N 0 3 282.387 3.091 20 70 CGIDHN COc1ccc(C)cc1CN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159640249 372164642 /nfs/dbraw/zinc/16/46/42/372164642.db2.gz SRYSPERWAHAZIN-XIRDDKMYSA-N 0 3 287.403 3.051 20 70 CGIDHN Cc1cccc([C@@H]2CCCN2CCc2ccncc2)n1 ZINC000159753844 372176318 /nfs/dbraw/zinc/17/63/18/372176318.db2.gz CSGSNGKLUGMGBF-KRWDZBQOSA-N 0 3 267.376 3.165 20 70 CGIDHN CCC1(CC)[C@H](N[C@@H](C)c2cccnc2)C[C@H]1OC ZINC000160109968 372214288 /nfs/dbraw/zinc/21/42/88/372214288.db2.gz PYSKPZJXSUEWBK-NWANDNLSSA-N 0 3 262.397 3.326 20 70 CGIDHN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1cccc(C)c1 ZINC000160136412 372217189 /nfs/dbraw/zinc/21/71/89/372217189.db2.gz NDNQDPDLFYKMNH-OLZOCXBDSA-N 0 3 257.381 3.449 20 70 CGIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cccc(F)n1 ZINC000160221936 372225685 /nfs/dbraw/zinc/22/56/85/372225685.db2.gz FOWFDNXJRLWPLU-ZFWWWQNUSA-N 0 3 285.366 3.153 20 70 CGIDHN CC(=O)Nc1cccc([C@H](C)NC[C@@H]2CCC(C)(C)O2)c1 ZINC000160223419 372225720 /nfs/dbraw/zinc/22/57/20/372225720.db2.gz LTSNVTMEUBMCEH-LRDDRELGSA-N 0 3 290.407 3.253 20 70 CGIDHN CC[C@H](N[C@H](CCO)CSC)c1ccc(F)cc1F ZINC000160288014 372233618 /nfs/dbraw/zinc/23/36/18/372233618.db2.gz KQWMXDZEFGJFAN-RISCZKNCSA-N 0 3 289.391 3.120 20 70 CGIDHN C[C@@H](N[C@@H](C)c1cccnc1)c1ccc(-n2ccnn2)cc1 ZINC000159869572 372189103 /nfs/dbraw/zinc/18/91/03/372189103.db2.gz HPLJIANFRVANDR-KGLIPLIRSA-N 0 3 293.374 3.074 20 70 CGIDHN CC[C@@H](C)[C@@H](N)C(=O)Nc1sc2c(c1C)CCCC2 ZINC000160988286 372292579 /nfs/dbraw/zinc/29/25/79/372292579.db2.gz RLOZQVKAOIOORS-NOZJJQNGSA-N 0 3 280.437 3.247 20 70 CGIDHN CCC[C@H](N)C(=O)N[C@@H](c1ccccc1Cl)C(C)C ZINC000160830022 372280156 /nfs/dbraw/zinc/28/01/56/372280156.db2.gz JVBCHCFQKXSEEA-UONOGXRCSA-N 0 3 282.815 3.281 20 70 CGIDHN CC[C@H](N[C@H](C)CCOC)c1ccc(F)cc1F ZINC000160859568 372283047 /nfs/dbraw/zinc/28/30/47/372283047.db2.gz XUXOTXSIMCCAKD-YGRLFVJLSA-N 0 3 257.324 3.431 20 70 CGIDHN CCO[C@@H]1C[C@H](N[C@H](C)c2cccnc2)C12CCC2 ZINC000160897925 372287464 /nfs/dbraw/zinc/28/74/64/372287464.db2.gz KPEPYRNLGIQTJX-VHDGCEQUSA-N 0 3 260.381 3.080 20 70 CGIDHN COC(CN1Cc2ccccc2C[C@@H]1c1ccccc1)OC ZINC000161289729 372314666 /nfs/dbraw/zinc/31/46/66/372314666.db2.gz GPSGXLVGFQYTAG-GOSISDBHSA-N 0 3 297.398 3.405 20 70 CGIDHN O[C@H](C1CCN(CCC2CCCC2)CC1)C(F)(F)F ZINC000161321589 372316710 /nfs/dbraw/zinc/31/67/10/372316710.db2.gz PGOGXUBBFKUTHY-CYBMUJFWSA-N 0 3 279.346 3.202 20 70 CGIDHN COc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2OC)c(OC)c1 ZINC000218041017 376183425 /nfs/dbraw/zinc/18/34/25/376183425.db2.gz WRIQNYNKHARKAM-APHBMKBZSA-N 0 3 293.407 3.312 20 70 CGIDHN Cc1ccc(CNCc2cccc3cc[nH]c32)cn1 ZINC000218113932 376185026 /nfs/dbraw/zinc/18/50/26/376185026.db2.gz YNUHMTVYWVKELP-UHFFFAOYSA-N 0 3 251.333 3.161 20 70 CGIDHN CCc1ccc([C@H](C)NCCCS(=O)(=O)C(C)C)cc1 ZINC000160542683 542155469 /nfs/dbraw/zinc/15/54/69/542155469.db2.gz RUSVLTNDLGQQQJ-AWEZNQCLSA-N 0 3 297.464 3.113 20 70 CGIDHN CCOc1cc2c(cc1CN[C@@H]1CCSC1)O[C@@H](C)C2 ZINC000218606408 392998111 /nfs/dbraw/zinc/99/81/11/392998111.db2.gz UQZHDFVWEFLYFG-SMDDNHRTSA-N 0 3 293.432 3.004 20 70 CGIDHN CCC[C@@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N(C)C ZINC000161279299 276021244 /nfs/dbraw/zinc/02/12/44/276021244.db2.gz LFKKIQLLMQCBNK-JSGCOSHPSA-N 0 3 288.391 3.340 20 70 CGIDHN Cn1ccc(CNCc2ccc(Br)c(F)c2)c1 ZINC000159537992 321836575 /nfs/dbraw/zinc/83/65/75/321836575.db2.gz SLZUCHLOKQDORV-UHFFFAOYSA-N 0 3 297.171 3.217 20 70 CGIDHN C[C@@H]1C[C@@H]1CNCc1cc(F)ccc1Br ZINC000160532891 533726751 /nfs/dbraw/zinc/72/67/51/533726751.db2.gz PMNBRNBCFOGFNE-RKDXNWHRSA-N 0 3 272.161 3.334 20 70 CGIDHN C[C@@H]1C[C@H]1CNCc1cc(F)ccc1Br ZINC000160533203 534029284 /nfs/dbraw/zinc/02/92/84/534029284.db2.gz PMNBRNBCFOGFNE-BDAKNGLRSA-N 0 3 272.161 3.334 20 70 CGIDHN CSC[C@@H](CCO)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000160367489 525642509 /nfs/dbraw/zinc/64/25/09/525642509.db2.gz LVKNOJHVTZAOLE-CXAGYDPISA-N 0 3 293.476 3.330 20 70 CGIDHN Cc1ccc([C@@H](C)NCC[S@](=O)c2ccccc2)cc1 ZINC000160789608 525728460 /nfs/dbraw/zinc/72/84/60/525728460.db2.gz GMLBGOZYYAODNF-FOIQADDNSA-N 0 3 287.428 3.453 20 70 CGIDHN CCc1noc(C)c1CN(CCc1nccs1)C(C)C ZINC000159927174 232242547 /nfs/dbraw/zinc/24/25/47/232242547.db2.gz OZDVXEZYNZXOBZ-UHFFFAOYSA-N 0 3 293.436 3.455 20 70 CGIDHN CC[C@@H](NCCC(=O)OC(C)C)c1ccc(F)cc1 ZINC000160693651 346172171 /nfs/dbraw/zinc/17/21/71/346172171.db2.gz KSUDAFLEFYGDOX-CQSZACIVSA-N 0 3 267.344 3.208 20 70 CGIDHN Cc1ccc(C(=O)CCN[C@H](CCO)c2ccccc2)cc1 ZINC000161436171 188527749 /nfs/dbraw/zinc/52/77/49/188527749.db2.gz DVYZLVURMKITRI-GOSISDBHSA-N 0 3 297.398 3.281 20 70 CGIDHN Fc1ccc(F)c(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159606380 372160936 /nfs/dbraw/zinc/16/09/36/372160936.db2.gz HOAVZTVNKSFAQD-QEJZJMRPSA-N 0 3 279.330 3.012 20 70 CGIDHN Cc1ccccc1[C@@H](NC(=O)[C@@H](C)N)[C@@H]1CCC[C@H](C)C1 ZINC000159687723 372167382 /nfs/dbraw/zinc/16/73/82/372167382.db2.gz FOTRFUYDDSBBKO-CRNXPOROSA-N 0 3 288.435 3.326 20 70 CGIDHN Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H](N)C(C)C ZINC000159694618 372169610 /nfs/dbraw/zinc/16/96/10/372169610.db2.gz VDQSLSZIXTUOHB-HZPDHXFCSA-N 0 3 276.424 3.182 20 70 CGIDHN CCCCO[C@@H]1C[C@H](N[C@@H](C)c2cnccn2)C1(C)C ZINC000159779473 372179310 /nfs/dbraw/zinc/17/93/10/372179310.db2.gz VGDHVDUZIMSQFN-AEGPPILISA-N 0 3 277.412 3.111 20 70 CGIDHN C[C@H](N[C@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000160203274 372223584 /nfs/dbraw/zinc/22/35/84/372223584.db2.gz JYMNWOUKGRPDQF-VYDXJSESSA-N 0 3 284.403 3.451 20 70 CGIDHN CC[C@@H](CN[C@@H](C)c1cnccn1)Oc1ccccc1F ZINC000160315825 372237319 /nfs/dbraw/zinc/23/73/19/372237319.db2.gz VRFRAQIAKUBHER-STQMWFEESA-N 0 3 289.354 3.124 20 70 CGIDHN Cc1ccc(C(=O)CCN2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000160321876 372237390 /nfs/dbraw/zinc/23/73/90/372237390.db2.gz OSYREHNPGAIGSV-AEFFLSMTSA-N 0 3 287.403 3.069 20 70 CGIDHN C[C@H](c1ccco1)N(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000159910957 372193203 /nfs/dbraw/zinc/19/32/03/372193203.db2.gz XCWABVSSHHXMPO-CYBMUJFWSA-N 0 3 286.375 3.174 20 70 CGIDHN COC(=O)c1cc(CN[C@H]2CCCc3sccc32)c[nH]1 ZINC000160982940 372292112 /nfs/dbraw/zinc/29/21/12/372292112.db2.gz YDQVOGKBJHTAQK-LBPRGKRZSA-N 0 3 290.388 3.030 20 70 CGIDHN Cc1c(CNCc2cc3ccccc3s2)cnn1C ZINC000160975569 372292488 /nfs/dbraw/zinc/29/24/88/372292488.db2.gz ARLKXWSUZAQLEE-UHFFFAOYSA-N 0 3 271.389 3.233 20 70 CGIDHN Cc1ccc(C)c([C@@H]2CCCN2C(=O)CN(C)C(C)C)c1 ZINC000160707917 372269389 /nfs/dbraw/zinc/26/93/89/372269389.db2.gz VLNCECZCBDPQGM-KRWDZBQOSA-N 0 3 288.435 3.307 20 70 CGIDHN Cc1ccc(C)c([C@@H](C)NCCNC(=O)c2ccccc2)c1 ZINC000160710853 372269894 /nfs/dbraw/zinc/26/98/94/372269894.db2.gz XJANPUWJHZPWKP-MRXNPFEDSA-N 0 3 296.414 3.384 20 70 CGIDHN Cc1ccc(C(=O)CCN[C@H](C)c2cccnc2)cc1 ZINC000161415369 372322106 /nfs/dbraw/zinc/32/21/06/372322106.db2.gz ARMYPTJEPOGATI-CQSZACIVSA-N 0 3 268.360 3.314 20 70 CGIDHN COc1cc([C@H](C)NCc2cccc(CO)c2)ccc1F ZINC000218244909 376186327 /nfs/dbraw/zinc/18/63/27/376186327.db2.gz PGTSYJBTRQXCLQ-LBPRGKRZSA-N 0 3 289.350 3.177 20 70 CGIDHN CC(C)(O)CN[C@H]1CCSc2c(Cl)cccc21 ZINC000160647843 542154824 /nfs/dbraw/zinc/15/48/24/542154824.db2.gz GQQOTQRYYRJUCI-NSHDSACASA-N 0 3 271.813 3.237 20 70 CGIDHN CC[C@@H](C)N(CCCCS(C)(=O)=O)Cc1ccccc1 ZINC000161224156 542157834 /nfs/dbraw/zinc/15/78/34/542157834.db2.gz MYJJHBKOOZRUIN-OAHLLOKOSA-N 0 3 297.464 3.112 20 70 CGIDHN COCCN1CCC(c2cccc(Br)c2)CC1 ZINC000217258804 392993880 /nfs/dbraw/zinc/99/38/80/392993880.db2.gz MUIROYJERRYUEV-UHFFFAOYSA-N 0 3 298.224 3.275 20 70 CGIDHN COC[C@@H](N[C@@H]1CCOc2c(Cl)cccc21)C1CC1 ZINC000161293162 277571026 /nfs/dbraw/zinc/57/10/26/277571026.db2.gz YIKFNCQHBLIJKL-ZIAGYGMSSA-N 0 3 281.783 3.178 20 70 CGIDHN C[C@H](N[C@H]1CCOC(C)(C)C1)c1nc2ccccc2n1C ZINC000159935068 279543274 /nfs/dbraw/zinc/54/32/74/279543274.db2.gz GRMKFTXSBIVWQK-STQMWFEESA-N 0 3 287.407 3.182 20 70 CGIDHN C[C@@H](NCc1ccc(CN(C)C)cc1)c1cncs1 ZINC000160865272 525521345 /nfs/dbraw/zinc/52/13/45/525521345.db2.gz AQZZXWQRIJACKB-GFCCVEGCSA-N 0 3 275.421 3.056 20 70 CGIDHN OC[C@H](Cc1ccccc1)NCc1ccc(Cl)cc1F ZINC000160821899 232246822 /nfs/dbraw/zinc/24/68/22/232246822.db2.gz XYTAKEJXCWESBR-HNNXBMFYSA-N 0 3 293.769 3.172 20 70 CGIDHN C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCCOCC(F)(F)F ZINC000159376727 372137711 /nfs/dbraw/zinc/13/77/11/372137711.db2.gz DXPCVFWZIMOAOI-NOZJJQNGSA-N 0 3 291.288 3.228 20 70 CGIDHN CC[C@@H](NCCN(C)CCOC)c1ccc(Cl)s1 ZINC000159411575 372140929 /nfs/dbraw/zinc/14/09/29/372140929.db2.gz RIQFPYYNNURYSM-LLVKDONJSA-N 0 3 290.860 3.020 20 70 CGIDHN Fc1ccc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000159514538 372150804 /nfs/dbraw/zinc/15/08/04/372150804.db2.gz JJMIWIWAGURYAO-UGFHNGPFSA-N 0 3 279.330 3.012 20 70 CGIDHN CCCOc1cccc(CN2CCCC[C@@H]2CCO)c1 ZINC000159735357 372174083 /nfs/dbraw/zinc/17/40/83/372174083.db2.gz LMXAQRBQJADNBI-MRXNPFEDSA-N 0 3 277.408 3.212 20 70 CGIDHN C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000159908455 372192426 /nfs/dbraw/zinc/19/24/26/372192426.db2.gz CGHIXZSOPQFFCR-RHSMWYFYSA-N 0 3 288.435 3.399 20 70 CGIDHN CNCC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000160557738 372257836 /nfs/dbraw/zinc/25/78/36/372257836.db2.gz VDDVHBCSDDBUIK-CYBMUJFWSA-N 0 3 282.815 3.153 20 70 CGIDHN CC[C@](C)(O)CN(C)Cc1ccc(SC)c(OC)c1 ZINC000160734617 372271983 /nfs/dbraw/zinc/27/19/83/372271983.db2.gz XPNSHCLLCINNRR-HNNXBMFYSA-N 0 3 283.437 3.010 20 70 CGIDHN N[C@H](CC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000218011748 376183542 /nfs/dbraw/zinc/18/35/42/376183542.db2.gz CLIQTFBCHMYLNE-BRWVUGGUSA-N 0 3 286.419 3.258 20 70 CGIDHN C[C@@H](NCc1ccc(Br)cn1)C1CCC1 ZINC000160178280 542152821 /nfs/dbraw/zinc/15/28/21/542152821.db2.gz GTNQHEQNERVARX-SECBINFHSA-N 0 3 269.186 3.122 20 70 CGIDHN CSc1ccc(CN(C)CC2=CCCOC2)cc1 ZINC000160914664 542156649 /nfs/dbraw/zinc/15/66/49/542156649.db2.gz WDHRYCIVZFAXKI-UHFFFAOYSA-N 0 3 263.406 3.187 20 70 CGIDHN COC(=O)CCCN1CCC[C@H]1Cc1ccccc1Cl ZINC000217223740 392994957 /nfs/dbraw/zinc/99/49/57/392994957.db2.gz JUTFOXNJCPJYDA-AWEZNQCLSA-N 0 3 295.810 3.300 20 70 CGIDHN c1ccc([C@@H](N[C@H]2CCSC2)c2ccncc2)cc1 ZINC000218599058 392998319 /nfs/dbraw/zinc/99/83/19/392998319.db2.gz LXEBRHFPEONEQW-JKSUJKDBSA-N 0 3 270.401 3.266 20 70 CGIDHN CN(C)Cc1ccc(C(=O)N(C)CCc2ccccc2)cc1 ZINC000159845805 321841990 /nfs/dbraw/zinc/84/19/90/321841990.db2.gz QNGVQYBPNIGTTF-UHFFFAOYSA-N 0 3 296.414 3.063 20 70 CGIDHN CC[C@@H](NCCCNC(=O)C(C)C)c1ccc(F)cc1F ZINC000159982628 321844328 /nfs/dbraw/zinc/84/43/28/321844328.db2.gz XMLFUDFFKPNCMT-OAHLLOKOSA-N 0 3 298.377 3.168 20 70 CGIDHN CC[C@@H](NCCOc1cc(C)cc(C)c1)c1cnn(C)c1 ZINC000161239860 522836012 /nfs/dbraw/zinc/83/60/12/522836012.db2.gz XQLIEQHRSMJVQV-QGZVFWFLSA-N 0 3 287.407 3.157 20 70 CGIDHN Cc1cccc(C(=O)Nc2ccc(CN(C)C)cc2)c1F ZINC000161435073 524216048 /nfs/dbraw/zinc/21/60/48/524216048.db2.gz UOEQSWAZQXHSBC-UHFFFAOYSA-N 0 3 286.350 3.448 20 70 CGIDHN c1ccc2oc(C3CCN(CC4=CCCOC4)CC3)nc2c1 ZINC000161065246 526519776 /nfs/dbraw/zinc/51/97/76/526519776.db2.gz WTQDMNKZAFKLSW-UHFFFAOYSA-N 0 3 298.386 3.354 20 70 CGIDHN CCOCCCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000160399823 528661819 /nfs/dbraw/zinc/66/18/19/528661819.db2.gz IPEGTLYPABJPBT-HNNXBMFYSA-N 0 3 291.391 3.021 20 70 CGIDHN CC[C@H](CC(=O)NC[C@H]1CCCN1C)c1ccc(C)cc1 ZINC000160130552 346170141 /nfs/dbraw/zinc/17/01/41/346170141.db2.gz GCNNKGGWKZXYNK-NVXWUHKLSA-N 0 3 288.435 3.089 20 70 CGIDHN CCC(CC)(CO)CN[C@@H](C)c1ccccc1OC ZINC000161323770 188521908 /nfs/dbraw/zinc/52/19/08/188521908.db2.gz BGHCQRRILDECDJ-ZDUSSCGKSA-N 0 3 265.397 3.145 20 70 CGIDHN CCOCCCN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000159471395 372147111 /nfs/dbraw/zinc/14/71/11/372147111.db2.gz BFARXOWZZZBQQL-UHFFFAOYSA-N 0 3 289.419 3.316 20 70 CGIDHN COc1ccc([C@H](C)NC[C@H]2CCC(C)(C)O2)cc1 ZINC000160310536 372238029 /nfs/dbraw/zinc/23/80/29/372238029.db2.gz WITLAQFFODSSDJ-SWLSCSKDSA-N 0 3 263.381 3.303 20 70 CGIDHN CN(CCOc1ccc(Cl)cc1)Cc1ccn(C)c1 ZINC000161156970 372306040 /nfs/dbraw/zinc/30/60/40/372306040.db2.gz ICQCZXLJQNKNOI-UHFFFAOYSA-N 0 3 278.783 3.189 20 70 CGIDHN Cc1c(CNCc2ccc(C(C)(C)C)cc2)cnn1C ZINC000161306187 372316531 /nfs/dbraw/zinc/31/65/31/372316531.db2.gz AKUUINKZYGJNFC-UHFFFAOYSA-N 0 3 271.408 3.316 20 70 CGIDHN CCC[C@H](C)[C@H]1CCCN1Cc1nnc(C)n1CCC ZINC000161429214 372323599 /nfs/dbraw/zinc/32/35/99/372323599.db2.gz QYGBAEWPPQIIHA-DZGCQCFKSA-N 0 3 278.444 3.397 20 70 CGIDHN CC1(C)C[C@@H](NCc2csc(-c3ccco3)n2)CCO1 ZINC000160434785 542153858 /nfs/dbraw/zinc/15/38/58/542153858.db2.gz NPEJGFBNWODNJS-NSHDSACASA-N 0 3 292.404 3.450 20 70 CGIDHN CC(C)c1ccc(OCCN[C@H](C)c2cnn(C)c2)cc1 ZINC000160333764 321850375 /nfs/dbraw/zinc/85/03/75/321850375.db2.gz BPBCIGVYODKEDP-CQSZACIVSA-N 0 3 287.407 3.273 20 70 CGIDHN CC1CCN(CCNCc2cc(F)cc(Cl)c2)CC1 ZINC000160912174 521013887 /nfs/dbraw/zinc/01/38/87/521013887.db2.gz UFADSIQHOVAGCC-UHFFFAOYSA-N 0 3 284.806 3.301 20 70 CGIDHN C[C@@H](NC[C@H](C)N(C)Cc1ccccc1)c1ccco1 ZINC000160876292 525491304 /nfs/dbraw/zinc/49/13/04/525491304.db2.gz LCEKSWFGMVROKQ-LSDHHAIUSA-N 0 3 272.392 3.451 20 70 CGIDHN CCCCOCCCNCc1nn(CC)c2ccccc12 ZINC000160295398 528587316 /nfs/dbraw/zinc/58/73/16/528587316.db2.gz ACIPSGZAQMQJBU-UHFFFAOYSA-N 0 3 289.423 3.353 20 70 CGIDHN Cc1nc2ccccn2c1CN1C[C@@H](C)CC[C@@H]1C ZINC000160898513 282091282 /nfs/dbraw/zinc/09/12/82/282091282.db2.gz PYVQBHRPXWIPKT-STQMWFEESA-N 0 3 257.381 3.263 20 70 CGIDHN Cc1cccc([C@@H](C)C(=O)N[C@@H](C)CN2CCCCC2)c1 ZINC000159754629 346168341 /nfs/dbraw/zinc/16/83/41/346168341.db2.gz ZTKPQZHOAUBXHY-JKSUJKDBSA-N 0 3 288.435 3.089 20 70 CGIDHN C[C@H](C(=O)N(CCN(C)C)C1CCCC1)c1ccsc1 ZINC000160059833 346170221 /nfs/dbraw/zinc/17/02/21/346170221.db2.gz LKOKZKLELIXKED-ZDUSSCGKSA-N 0 3 294.464 3.184 20 70 CGIDHN CCN1CC[C@@H](N(C)c2nc(C(C)(C)C)ns2)[C@H](C)C1 ZINC000159624115 372163137 /nfs/dbraw/zinc/16/31/37/372163137.db2.gz DBVYQEKDSRCQCF-VXGBXAGGSA-N 0 3 296.484 3.002 20 70 CGIDHN CCOC[C@@H]1CCCN(CCC(=O)c2ccc(C)cc2)C1 ZINC000159677298 372167553 /nfs/dbraw/zinc/16/75/53/372167553.db2.gz VRCYKESFRIEUEO-MRXNPFEDSA-N 0 3 289.419 3.316 20 70 CGIDHN C[C@H](c1cc2ccccc2o1)N(C)CCn1ccnc1 ZINC000159688720 372169824 /nfs/dbraw/zinc/16/98/24/372169824.db2.gz RPFZJVXRWPWTLQ-CYBMUJFWSA-N 0 3 269.348 3.322 20 70 CGIDHN COc1ccc(C)cc1[C@H](C)NCC1(CO)CCCC1 ZINC000160068423 372208917 /nfs/dbraw/zinc/20/89/17/372208917.db2.gz PXLVOOQLMWDPNZ-AWEZNQCLSA-N 0 3 277.408 3.207 20 70 CGIDHN CCCNC(=O)CCNC/C(C)=C/c1ccc(Cl)cc1 ZINC000160100670 372212471 /nfs/dbraw/zinc/21/24/71/372212471.db2.gz BQFGNJTUFFMCIC-ACCUITESSA-N 0 3 294.826 3.249 20 70 CGIDHN CSC[C@@H](CCO)N[C@H](C)c1cc(C)sc1C ZINC000160181671 372222472 /nfs/dbraw/zinc/22/24/72/372222472.db2.gz DASFUPJPJNDKJS-ZYHUDNBSSA-N 0 3 273.467 3.130 20 70 CGIDHN Cc1cccc([C@@H]2CCCN2CCC(=O)OC(C)(C)C)n1 ZINC000160256158 372231634 /nfs/dbraw/zinc/23/16/34/372231634.db2.gz SDTDUJCOBRYXOF-HNNXBMFYSA-N 0 3 290.407 3.259 20 70 CGIDHN CC(C)CCOc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1 ZINC000160304814 372235973 /nfs/dbraw/zinc/23/59/73/372235973.db2.gz ZVKPQFPFFQLUTK-OAHLLOKOSA-N 0 3 292.423 3.423 20 70 CGIDHN CC[C@H](CN[C@@H](C)c1cnn(C)c1)Oc1ccccc1F ZINC000160317016 372238007 /nfs/dbraw/zinc/23/80/07/372238007.db2.gz GABHVGVUSGSCKU-GXTWGEPZSA-N 0 3 291.370 3.067 20 70 CGIDHN CN(CCSc1ccccc1F)C[C@H]1CCC[C@@H]1O ZINC000159840712 372186349 /nfs/dbraw/zinc/18/63/49/372186349.db2.gz PDGVGYQRFLYYFA-OCCSQVGLSA-N 0 3 283.412 3.011 20 70 CGIDHN CCC[C@H](N)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000160987541 372292621 /nfs/dbraw/zinc/29/26/21/372292621.db2.gz ADHGPSZDZTWJFU-KWQFWETISA-N 0 3 289.206 3.298 20 70 CGIDHN CCOc1ccc(Cl)cc1[C@H](C)NCC(C)(C)O ZINC000160609543 372262812 /nfs/dbraw/zinc/26/28/12/372262812.db2.gz KOCCQECKFOORTE-JTQLQIEISA-N 0 3 271.788 3.160 20 70 CGIDHN CC[C@H](NC[C@H]1CCCO1)c1ccc(F)cc1F ZINC000160652298 372264062 /nfs/dbraw/zinc/26/40/62/372264062.db2.gz XRUSSEDDCHQNIE-RISCZKNCSA-N 0 3 255.308 3.185 20 70 CGIDHN COc1cc(C)c([C@H](C)NCCOCC(C)C)cc1OC ZINC000160665314 372265954 /nfs/dbraw/zinc/26/59/54/372265954.db2.gz JSSGQSDSVZIATQ-AWEZNQCLSA-N 0 3 295.423 3.335 20 70 CGIDHN C[C@H](O)C(C)(C)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000161128959 372303874 /nfs/dbraw/zinc/30/38/74/372303874.db2.gz GCUGNPFMTGKLKV-NSHDSACASA-N 0 3 277.339 3.335 20 70 CGIDHN CCCN(CCO)Cc1cc(C)c(C)cc1OC(F)F ZINC000161230647 372311441 /nfs/dbraw/zinc/31/14/41/372311441.db2.gz UHQCAUWKKDTKBE-UHFFFAOYSA-N 0 3 287.350 3.109 20 70 CGIDHN COc1ccc(C)cc1[C@@H](C)NC[C@@H](CO)c1ccccc1 ZINC000161479911 372327768 /nfs/dbraw/zinc/32/77/68/372327768.db2.gz CVJXWBVQPOYOHK-WBVHZDCISA-N 0 3 299.414 3.430 20 70 CGIDHN c1ccc([C@@H](N[C@@H]2CCSC2)c2ccncc2)cc1 ZINC000218598903 392998394 /nfs/dbraw/zinc/99/83/94/392998394.db2.gz LXEBRHFPEONEQW-HZPDHXFCSA-N 0 3 270.401 3.266 20 70 CGIDHN COc1ccc(OC)c([C@H](C)N[C@@H]2CCCC[C@H]2OC)c1 ZINC000218189732 286344147 /nfs/dbraw/zinc/34/41/47/286344147.db2.gz LCQOKWZYZBZUCG-XGWLTEMNSA-N 0 3 293.407 3.312 20 70 CGIDHN CCCCO[C@H]1C[C@@H](N[C@@H](CC)c2cnn(C)c2)C1(C)C ZINC000159767355 165467899 /nfs/dbraw/zinc/46/78/99/165467899.db2.gz HODKWEBKEJUXJY-XHSDSOJGSA-N 0 3 293.455 3.445 20 70 CGIDHN C[C@H](N)C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000160981916 289763403 /nfs/dbraw/zinc/76/34/03/289763403.db2.gz PPAXEHUQKMYAGL-FZMZJTMJSA-N 0 3 280.799 3.131 20 70 CGIDHN C[C@@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)c1cccnc1 ZINC000159869684 321842352 /nfs/dbraw/zinc/84/23/52/321842352.db2.gz HPLJIANFRVANDR-UONOGXRCSA-N 0 3 293.374 3.074 20 70 CGIDHN C[C@H]1CCC[C@H](NC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000160916722 321859951 /nfs/dbraw/zinc/85/99/51/321859951.db2.gz FIOHJXPGPGGIQJ-GJZGRUSLSA-N 0 3 295.471 3.081 20 70 CGIDHN C[C@H](NCc1ccc(CN(C)C)cc1)c1cncs1 ZINC000160865145 525440792 /nfs/dbraw/zinc/44/07/92/525440792.db2.gz AQZZXWQRIJACKB-LBPRGKRZSA-N 0 3 275.421 3.056 20 70 CGIDHN C[C@@H]1CCC[C@H](CNCc2nn(C)c3ccccc23)C1 ZINC000218135254 346292966 /nfs/dbraw/zinc/29/29/66/346292966.db2.gz BMJNUCDHDYHWKO-KGLIPLIRSA-N 0 3 271.408 3.489 20 70 CGIDHN O[C@@H](Cc1ccccc1)CN(Cc1ccc(F)cc1)C1CC1 ZINC000218760772 376190144 /nfs/dbraw/zinc/19/01/44/376190144.db2.gz LESVBULOCRFKJC-IBGZPJMESA-N 0 3 299.389 3.394 20 70 CGIDHN Cc1ccccc1[C@@H](C)NCCNC(=O)CC1CCCC1 ZINC000159404320 372139071 /nfs/dbraw/zinc/13/90/71/372139071.db2.gz BSYZHDZLGUEEJR-OAHLLOKOSA-N 0 3 288.435 3.342 20 70 CGIDHN O=C(NC[C@H](c1cccs1)N1CCCC1)C1=CCCC1 ZINC000159670464 372166735 /nfs/dbraw/zinc/16/67/35/372166735.db2.gz OXAAZOPYAPEFRI-CQSZACIVSA-N 0 3 290.432 3.112 20 70 CGIDHN CCC1(CC)[C@H](OC)C[C@@H]1N[C@@H](C)c1cccnc1 ZINC000160110089 372215048 /nfs/dbraw/zinc/21/50/48/372215048.db2.gz PYSKPZJXSUEWBK-AEGPPILISA-N 0 3 262.397 3.326 20 70 CGIDHN COc1ccc([C@@H](C)NC[C@@H]2CCC(C)(C)O2)cc1OC ZINC000160232122 372227357 /nfs/dbraw/zinc/22/73/57/372227357.db2.gz LFEDNCRQJYJLLN-OCCSQVGLSA-N 0 3 293.407 3.312 20 70 CGIDHN C[C@@H]1SCCN(CCn2ccnc2)[C@H]1c1ccccc1 ZINC000159834584 372185202 /nfs/dbraw/zinc/18/52/02/372185202.db2.gz YXFMJZNZDCUPCO-GOEBONIOSA-N 0 3 287.432 3.062 20 70 CGIDHN COCc1ccc(CN(C)Cc2ccc(OC)cc2)cc1 ZINC000159857135 372187653 /nfs/dbraw/zinc/18/76/53/372187653.db2.gz VFTZVMOIFGYKEK-UHFFFAOYSA-N 0 3 285.387 3.474 20 70 CGIDHN C[C@@H](N[C@@H](C)c1ccncc1)c1ccc(-n2ccnn2)cc1 ZINC000159908728 372193262 /nfs/dbraw/zinc/19/32/62/372193262.db2.gz GZSCWVVCGPBCPX-KGLIPLIRSA-N 0 3 293.374 3.074 20 70 CGIDHN CCOc1ccc([C@H](C)N[C@H](COC)C2CC2)cc1OC ZINC000159979041 372200578 /nfs/dbraw/zinc/20/05/78/372200578.db2.gz CFSKSFKGYVVIQV-SWLSCSKDSA-N 0 3 293.407 3.170 20 70 CGIDHN C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000160980234 372293125 /nfs/dbraw/zinc/29/31/25/372293125.db2.gz WFKYAOFPZVPQEM-GDBMZVCRSA-N 0 3 288.435 3.304 20 70 CGIDHN CC(C)c1nsc(N2CCC[C@H]2CN2CCCCC2)n1 ZINC000160429669 372246602 /nfs/dbraw/zinc/24/66/02/372246602.db2.gz LJHROYXGSCMPOL-ZDUSSCGKSA-N 0 3 294.468 3.116 20 70 CGIDHN COCCN(Cc1ccccc1)Cc1cccc2c[nH]nc21 ZINC000160444000 372247938 /nfs/dbraw/zinc/24/79/38/372247938.db2.gz MNOJVNWYWUFHRY-UHFFFAOYSA-N 0 3 295.386 3.212 20 70 CGIDHN Cc1cc2cc([C@@H](C)NCC(C)(C)O)oc2cc1C ZINC000160599289 372261222 /nfs/dbraw/zinc/26/12/22/372261222.db2.gz GWSIENCUJZDHBU-GFCCVEGCSA-N 0 3 261.365 3.471 20 70 CGIDHN CCc1nn(C)c(CC)c1CNCc1cc2ccccc2[nH]1 ZINC000161328782 372318701 /nfs/dbraw/zinc/31/87/01/372318701.db2.gz ADKYKVQHSHCMHV-UHFFFAOYSA-N 0 3 296.418 3.316 20 70 CGIDHN CCC[C@H](C)[C@@H]1CCCN1Cc1nnc(C)n1CCC ZINC000161428984 372323496 /nfs/dbraw/zinc/32/34/96/372323496.db2.gz QYGBAEWPPQIIHA-ZFWWWQNUSA-N 0 3 278.444 3.397 20 70 CGIDHN CCn1c2ccccc2nc1CN[C@@H](C)C1CCC1 ZINC000160173680 542152447 /nfs/dbraw/zinc/15/24/47/542152447.db2.gz MBSLSMISZPAQKP-LBPRGKRZSA-N 0 3 257.381 3.334 20 70 CGIDHN O[C@@H](C1CCN(CCC2CCCC2)CC1)C(F)(F)F ZINC000161321461 321865702 /nfs/dbraw/zinc/86/57/02/321865702.db2.gz PGOGXUBBFKUTHY-ZDUSSCGKSA-N 0 3 279.346 3.202 20 70 CGIDHN CCSCc1cccc(NC(=O)[C@H](N)CC(C)C)c1 ZINC000160421586 521718516 /nfs/dbraw/zinc/71/85/16/521718516.db2.gz DNUQDJVPLUCLFQ-CQSZACIVSA-N 0 3 280.437 3.252 20 70 CGIDHN CCS[C@H]1CC[C@@H](N(C)Cc2cnc3ccccn23)C1 ZINC000160879810 521732687 /nfs/dbraw/zinc/73/26/87/521732687.db2.gz WHRSHVDZHDFYOC-HIFRSBDPSA-N 0 3 289.448 3.440 20 70 CGIDHN CCSCC[C@H](C)NCc1cnc2ccccc2n1 ZINC000160069176 346169975 /nfs/dbraw/zinc/16/99/75/346169975.db2.gz VXTFPKIYBOIUSH-LBPRGKRZSA-N 0 3 275.421 3.251 20 70 CGIDHN C[C@@H](NC(=O)[C@@H]1CCCN1C1CCCC1)c1ccccc1 ZINC000217937311 346291678 /nfs/dbraw/zinc/29/16/78/346291678.db2.gz VVELMJUFCUENGZ-PBHICJAKSA-N 0 3 286.419 3.271 20 70 CGIDHN COc1ccc(OC)c(CCN[C@@H](C)c2ccco2)c1 ZINC000161426396 188527104 /nfs/dbraw/zinc/52/71/04/188527104.db2.gz XZZKJKKQGFVCJR-LBPRGKRZSA-N 0 3 275.348 3.190 20 70 CGIDHN C[C@H]1SCCN(CCn2ccnc2)[C@@H]1c1ccccc1 ZINC000159834724 291260371 /nfs/dbraw/zinc/26/03/71/291260371.db2.gz YXFMJZNZDCUPCO-ZBFHGGJFSA-N 0 3 287.432 3.062 20 70 CGIDHN CC(C)N(CCC(=O)OC(C)(C)C)CCc1nccs1 ZINC000159777172 372180327 /nfs/dbraw/zinc/18/03/27/372180327.db2.gz QOJXYBUQLCRZHY-UHFFFAOYSA-N 0 3 298.452 3.128 20 70 CGIDHN Fc1ccc(F)c(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159606644 372160610 /nfs/dbraw/zinc/16/06/10/372160610.db2.gz HOAVZTVNKSFAQD-SNPRPXQTSA-N 0 3 279.330 3.012 20 70 CGIDHN c1coc(-c2noc(CN3CC[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000159697448 372170634 /nfs/dbraw/zinc/17/06/34/372170634.db2.gz BYKLWIFSRKLICH-RYUDHWBXSA-N 0 3 273.336 3.094 20 70 CGIDHN C[C@@H](NCC1(CO)CCCC1)c1ccccc1OC(F)F ZINC000160083681 372210360 /nfs/dbraw/zinc/21/03/60/372210360.db2.gz ZCINWXLAWHQOTE-GFCCVEGCSA-N 0 3 299.361 3.491 20 70 CGIDHN COc1ccc([C@@H](C)NC[C@@H]2CCC(C)(C)O2)cc1 ZINC000160310377 372237897 /nfs/dbraw/zinc/23/78/97/372237897.db2.gz WITLAQFFODSSDJ-DOMZBBRYSA-N 0 3 263.381 3.303 20 70 CGIDHN CSC[C@H](CCO)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000160323788 372237918 /nfs/dbraw/zinc/23/79/18/372237918.db2.gz WAJUSBUXIMPIAP-ZFWWWQNUSA-N 0 3 297.464 3.238 20 70 CGIDHN c1cn(CCN(Cc2ccoc2)C2CCCCC2)cn1 ZINC000159849397 372186905 /nfs/dbraw/zinc/18/69/05/372186905.db2.gz YGKLMBGWFVRIJH-UHFFFAOYSA-N 0 3 273.380 3.311 20 70 CGIDHN Cc1cccc([C@H]2CCCN2CCOC(C)(C)C)n1 ZINC000159842214 372187571 /nfs/dbraw/zinc/18/75/71/372187571.db2.gz IZPDSJBKULLAGD-OAHLLOKOSA-N 0 3 262.397 3.342 20 70 CGIDHN CNCC(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000160557621 372257892 /nfs/dbraw/zinc/25/78/92/372257892.db2.gz VDDVHBCSDDBUIK-ZDUSSCGKSA-N 0 3 282.815 3.153 20 70 CGIDHN Fc1cc(Cl)ccc1CNCCCCn1ccnc1 ZINC000160805551 372276981 /nfs/dbraw/zinc/27/69/81/372276981.db2.gz AVOSETNKPMLSAE-UHFFFAOYSA-N 0 3 281.762 3.246 20 70 CGIDHN C[C@H](CN[C@H](C)c1cncs1)N(C)Cc1ccccc1 ZINC000160862319 372284016 /nfs/dbraw/zinc/28/40/16/372284016.db2.gz DRPAJBUKHALZNH-ZIAGYGMSSA-N 0 3 289.448 3.314 20 70 CGIDHN Cc1ccc(CN[C@@H](C)c2cnc(C)nc2C)s1 ZINC000160920617 372288754 /nfs/dbraw/zinc/28/87/54/372288754.db2.gz BBOFMLSVXWXNCG-JTQLQIEISA-N 0 3 261.394 3.314 20 70 CGIDHN C[C@H](O)C(C)(C)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000161130933 372304004 /nfs/dbraw/zinc/30/40/04/372304004.db2.gz VKCUTKFNFXFQDW-QMMMGPOBSA-N 0 3 279.277 3.094 20 70 CGIDHN Cc1ccc([C@H](C)NCCc2ccc3c(c2)OCO3)o1 ZINC000161150361 372305400 /nfs/dbraw/zinc/30/54/00/372305400.db2.gz IKPYIEKVSHITCF-LBPRGKRZSA-N 0 3 273.332 3.210 20 70 CGIDHN Cc1cc(C)cc(OCCN[C@@H](C)c2cnc(C)nc2C)c1 ZINC000161244571 372313076 /nfs/dbraw/zinc/31/30/76/372313076.db2.gz YZGBCRNIEQUFAD-AWEZNQCLSA-N 0 3 299.418 3.440 20 70 CGIDHN C[C@H](NC[C@@H](CO)c1ccccc1)c1ccc(F)cc1F ZINC000161455133 372325905 /nfs/dbraw/zinc/32/59/05/372325905.db2.gz XBKQJBSIWDNBIE-JSGCOSHPSA-N 0 3 291.341 3.392 20 70 CGIDHN O[C@@H]1CCC[C@H]1[C@@H]1CCCCN1Cc1cc(F)cc(F)c1 ZINC000218731461 270085589 /nfs/dbraw/zinc/08/55/89/270085589.db2.gz MHBFZEZINYUMQO-YESZJQIVSA-N 0 3 295.373 3.480 20 70 CGIDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccncc2)C12CCC2 ZINC000160969455 279880036 /nfs/dbraw/zinc/88/00/36/279880036.db2.gz PUKWAYDXSVUILL-VHDGCEQUSA-N 0 3 260.381 3.080 20 70 CGIDHN C[C@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccncc1 ZINC000159908541 321842980 /nfs/dbraw/zinc/84/29/80/321842980.db2.gz GZSCWVVCGPBCPX-KBPBESRZSA-N 0 3 293.374 3.074 20 70 CGIDHN CN(C)[C@@H](CNCc1cc(F)cc(Cl)c1)c1ccco1 ZINC000160812341 522031889 /nfs/dbraw/zinc/03/18/89/522031889.db2.gz XVQHQPKFVPSBTB-AWEZNQCLSA-N 0 3 296.773 3.465 20 70 CGIDHN Cc1nccn1CCCCN(C)Cc1ccoc1C ZINC000161475280 527391655 /nfs/dbraw/zinc/39/16/55/527391655.db2.gz RSQPYXDHCKPVJZ-UHFFFAOYSA-N 0 3 261.369 3.005 20 70 CGIDHN CC(C)(C)C[C@H](CO)Nc1ccnc2ccccc21 ZINC000161466635 527701123 /nfs/dbraw/zinc/70/11/23/527701123.db2.gz BIUGXSWWYHUZPV-GFCCVEGCSA-N 0 3 258.365 3.444 20 70 CGIDHN CC[C@@H](NCCOC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000160931725 346173690 /nfs/dbraw/zinc/17/36/90/346173690.db2.gz GJDTVMSJFDOIQE-JKSUJKDBSA-N 0 3 281.371 3.062 20 70 CGIDHN CC[C@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccccc1 ZINC000161414540 188526452 /nfs/dbraw/zinc/52/64/52/188526452.db2.gz HZSPUWKXQZLRID-HOCLYGCPSA-N 0 3 295.448 3.019 20 70 CGIDHN COc1ccccc1N1CC[C@H](N[C@H](C)c2ccccn2)C1 ZINC000159362612 372135312 /nfs/dbraw/zinc/13/53/12/372135312.db2.gz HQQRKJRDNSEWID-CABCVRRESA-N 0 3 297.402 3.020 20 70 CGIDHN Cc1nc(CCN[C@H](C)c2ccccn2)sc1C ZINC000159388027 372138255 /nfs/dbraw/zinc/13/82/55/372138255.db2.gz CCIAKGXZFZUJJO-LLVKDONJSA-N 0 3 261.394 3.048 20 70 CGIDHN CCS[C@@H]1CCC[C@H](N[C@@H](C)c2cnccn2)C1 ZINC000159403977 372139528 /nfs/dbraw/zinc/13/95/28/372139528.db2.gz ICDDDQNFMNVTDQ-RWMBFGLXSA-N 0 3 265.426 3.192 20 70 CGIDHN CCOCCCN(Cc1ccccc1OC)C1CC1 ZINC000159409242 372141452 /nfs/dbraw/zinc/14/14/52/372141452.db2.gz WROMULDKMKATDU-UHFFFAOYSA-N 0 3 263.381 3.086 20 70 CGIDHN c1c2ccccc2oc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159491353 372149548 /nfs/dbraw/zinc/14/95/48/372149548.db2.gz CXRWXOHYHUXGQJ-OIISXLGYSA-N 0 3 283.371 3.480 20 70 CGIDHN Cc1cc(Cl)cc(C)c1CN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159527212 372152623 /nfs/dbraw/zinc/15/26/23/372152623.db2.gz NXCQMLNLKVSQCY-STQMWFEESA-N 0 3 294.826 3.043 20 70 CGIDHN CN(C)[C@@H](CNCc1cc(F)cc(F)c1)c1cccs1 ZINC000159593013 372159076 /nfs/dbraw/zinc/15/90/76/372159076.db2.gz KPNUYFINRUUDRK-AWEZNQCLSA-N 0 3 296.386 3.419 20 70 CGIDHN C[C@H](NCC1(CO)CCCC1)c1ccccc1OC(F)F ZINC000160083582 372210596 /nfs/dbraw/zinc/21/05/96/372210596.db2.gz ZCINWXLAWHQOTE-LBPRGKRZSA-N 0 3 299.361 3.491 20 70 CGIDHN CN(Cc1nc2ccc(Br)cc2[nH]1)C1CCC1 ZINC000159826522 372184089 /nfs/dbraw/zinc/18/40/89/372184089.db2.gz ISRNNYIDDILTGP-UHFFFAOYSA-N 0 3 294.196 3.310 20 70 CGIDHN CC(C)(C)NC(=O)CN[C@@H]1CCC(C)(C)c2ccccc21 ZINC000159851175 372187405 /nfs/dbraw/zinc/18/74/05/372187405.db2.gz OAPZORJLKJHYKP-OAHLLOKOSA-N 0 3 288.435 3.303 20 70 CGIDHN CC(C)C[C@H](NC[C@@H]1CCCC[C@@H]1O)c1ccccn1 ZINC000160466289 372249591 /nfs/dbraw/zinc/24/95/91/372249591.db2.gz TZHUGHWLKYBVSG-XIRDDKMYSA-N 0 3 276.424 3.310 20 70 CGIDHN Cc1ccc([O-])c(CN(C)Cc2ccccc2C)n1 ZINC000160518726 372254217 /nfs/dbraw/zinc/25/42/17/372254217.db2.gz KTXWUOKKQCGBMI-UHFFFAOYSA-N 0 3 256.349 3.036 20 70 CGIDHN Cc1ccc(O)c(CN(C)Cc2ccccc2C)n1 ZINC000160518726 372254223 /nfs/dbraw/zinc/25/42/23/372254223.db2.gz KTXWUOKKQCGBMI-UHFFFAOYSA-N 0 3 256.349 3.036 20 70 CGIDHN CC1(C)C[C@@H](NCc2csc(C3CC3)n2)CCO1 ZINC000160543415 372255564 /nfs/dbraw/zinc/25/55/64/372255564.db2.gz NFCSGYDVVYAUAQ-NSHDSACASA-N 0 3 266.410 3.068 20 70 CGIDHN CC[C@@H](C)CN(CC)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000160527126 372256381 /nfs/dbraw/zinc/25/63/81/372256381.db2.gz NVLLLRQATRQASO-OLZOCXBDSA-N 0 3 287.407 3.352 20 70 CGIDHN CCn1cc([C@H](C)N[C@H](CCCO)c2ccccc2)cn1 ZINC000160813104 372277562 /nfs/dbraw/zinc/27/75/62/372277562.db2.gz JMHOHANQQXIYOV-WMLDXEAASA-N 0 3 287.407 3.067 20 70 CGIDHN CC(C)C1CCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000161268918 372314169 /nfs/dbraw/zinc/31/41/69/372314169.db2.gz FWMDAZDAAJMDJR-PBHICJAKSA-N 0 3 288.435 3.217 20 70 CGIDHN CC(C)C1CCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000161269170 372314784 /nfs/dbraw/zinc/31/47/84/372314784.db2.gz FWMDAZDAAJMDJR-RHSMWYFYSA-N 0 3 288.435 3.217 20 70 CGIDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cnccn2)C1(CC)CC ZINC000161301046 372315958 /nfs/dbraw/zinc/31/59/58/372315958.db2.gz OYONRWVISDMMML-AEGPPILISA-N 0 3 277.412 3.111 20 70 CGIDHN CCC[C@@H](C)[C@@H]1CCCN1Cc1nnc(C)n1CCC ZINC000161428898 372324325 /nfs/dbraw/zinc/32/43/25/372324325.db2.gz QYGBAEWPPQIIHA-HIFRSBDPSA-N 0 3 278.444 3.397 20 70 CGIDHN CC[C@H](NCCn1ccnc1)c1cccc(Cl)c1F ZINC000161495805 372329050 /nfs/dbraw/zinc/32/90/50/372329050.db2.gz UQHUZGACLDEPLE-ZDUSSCGKSA-N 0 3 281.762 3.417 20 70 CGIDHN CCCn1nccc1CN[C@H](C)c1ccc(C)cc1 ZINC000160094766 542152499 /nfs/dbraw/zinc/15/24/99/542152499.db2.gz AULGRGLOFXVWKW-CQSZACIVSA-N 0 3 257.381 3.452 20 70 CGIDHN COc1ccccc1[C@@H]1CCCN1CCOCC1CC1 ZINC000160421552 532984956 /nfs/dbraw/zinc/98/49/56/532984956.db2.gz MHHXCQNZUJXMPH-INIZCTEOSA-N 0 3 275.392 3.259 20 70 CGIDHN CC(C)(C)OC(=O)NCCN[C@@H](c1cccs1)C1CC1 ZINC000218083512 262947218 /nfs/dbraw/zinc/94/72/18/262947218.db2.gz UAEPORKRZBBUAT-CYBMUJFWSA-N 0 3 296.436 3.314 20 70 CGIDHN CC[C@H](N)C(=O)N(C)[C@H](c1ccccc1Cl)C(C)C ZINC000160078980 321846256 /nfs/dbraw/zinc/84/62/56/321846256.db2.gz JDDJQUSKQSJOMC-KBPBESRZSA-N 0 3 282.815 3.233 20 70 CGIDHN CC[C@]1(C)C[C@H]1C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000160133226 321846896 /nfs/dbraw/zinc/84/68/96/321846896.db2.gz DCHQENAWTSJNPV-FUHWJXTLSA-N 0 3 288.435 3.013 20 70 CGIDHN CCC(CC)CNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000160575615 321854356 /nfs/dbraw/zinc/85/43/56/321854356.db2.gz GNIJVZQINYXWJH-INIZCTEOSA-N 0 3 295.471 3.083 20 70 CGIDHN C[C@H]1CCC[C@@H](NC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000160916906 321860075 /nfs/dbraw/zinc/86/00/75/321860075.db2.gz FIOHJXPGPGGIQJ-LSDHHAIUSA-N 0 3 295.471 3.081 20 70 CGIDHN C[C@H](O)C(C)(C)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000161139219 188509972 /nfs/dbraw/zinc/50/99/72/188509972.db2.gz WVUUHHDAANODJG-QMMMGPOBSA-N 0 3 279.277 3.094 20 70 CGIDHN Cc1ccccc1[C@H](C)NCCC(=O)N1CCCCCC1 ZINC000159366749 372136524 /nfs/dbraw/zinc/13/65/24/372136524.db2.gz PHXWYHZZFYSDTE-INIZCTEOSA-N 0 3 288.435 3.438 20 70 CGIDHN C[C@H]1Cc2ccc(F)cc2[C@H]1NCCOCC(F)(F)F ZINC000159377143 372137957 /nfs/dbraw/zinc/13/79/57/372137957.db2.gz DXPCVFWZIMOAOI-ZANVPECISA-N 0 3 291.288 3.228 20 70 CGIDHN CC(C)CCOCCN(CCc1nccs1)C(C)C ZINC000159784132 372180432 /nfs/dbraw/zinc/18/04/32/372180432.db2.gz ANAFAOJOOICZPU-UHFFFAOYSA-N 0 3 284.469 3.459 20 70 CGIDHN Cc1ccc(C(=O)CCN2CCC(n3cccn3)CC2)cc1 ZINC000159573909 372157399 /nfs/dbraw/zinc/15/73/99/372157399.db2.gz BZQVMKMNEIMKKZ-UHFFFAOYSA-N 0 3 297.402 3.101 20 70 CGIDHN CN(C(=O)CNCC1CC1)c1ccc(-c2ccccc2)cc1 ZINC000161082814 372300717 /nfs/dbraw/zinc/30/07/17/372300717.db2.gz MZBUGAHJIXVEJZ-UHFFFAOYSA-N 0 3 294.398 3.316 20 70 CGIDHN CCC[C@H](N)C(=O)N[C@H](c1ccccc1Cl)C(C)C ZINC000160830263 372280131 /nfs/dbraw/zinc/28/01/31/372280131.db2.gz JVBCHCFQKXSEEA-KBPBESRZSA-N 0 3 282.815 3.281 20 70 CGIDHN Cc1nc2ccccn2c1CN(C)CCc1cccs1 ZINC000160852316 372281588 /nfs/dbraw/zinc/28/15/88/372281588.db2.gz IDAOGXNUXQBDPU-UHFFFAOYSA-N 0 3 285.416 3.379 20 70 CGIDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2cccnc2)C12CCC2 ZINC000160898203 372287338 /nfs/dbraw/zinc/28/73/38/372287338.db2.gz KPEPYRNLGIQTJX-BPLDGKMQSA-N 0 3 260.381 3.080 20 70 CGIDHN CCC1(CO)CCN(CCC(=O)c2ccc(C)cc2)CC1 ZINC000161304961 372316241 /nfs/dbraw/zinc/31/62/41/372316241.db2.gz FMZMYSZEHKKLDM-UHFFFAOYSA-N 0 3 289.419 3.052 20 70 CGIDHN O=C([C@@H](NC1CC=CC1)c1ccccc1)N1CCCCC1 ZINC000160894516 542156162 /nfs/dbraw/zinc/15/61/62/542156162.db2.gz WUYNEDKRCWHQFA-KRWDZBQOSA-N 0 3 284.403 3.048 20 70 CGIDHN CC[C@H](C)N(CCCCS(C)(=O)=O)Cc1ccccc1 ZINC000161224274 542157850 /nfs/dbraw/zinc/15/78/50/542157850.db2.gz MYJJHBKOOZRUIN-HNNXBMFYSA-N 0 3 297.464 3.112 20 70 CGIDHN N[C@@H](CC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000218011667 130764913 /nfs/dbraw/zinc/76/49/13/130764913.db2.gz CLIQTFBCHMYLNE-IXDOHACOSA-N 0 3 286.419 3.258 20 70 CGIDHN CC(C)(C)NC(=O)CN[C@H]1CCC(C)(C)c2ccccc21 ZINC000159851039 275515852 /nfs/dbraw/zinc/51/58/52/275515852.db2.gz OAPZORJLKJHYKP-HNNXBMFYSA-N 0 3 288.435 3.303 20 70 CGIDHN COc1ccc(OC)c([C@H](C)N[C@@H](C)C[C@H]2CCCO2)c1 ZINC000160010379 277920379 /nfs/dbraw/zinc/92/03/79/277920379.db2.gz GDQFKXQXFRRANK-KCQAQPDRSA-N 0 3 293.407 3.312 20 70 CGIDHN CCCN1CCCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000160361540 519850716 /nfs/dbraw/zinc/85/07/16/519850716.db2.gz MNUWYYVORFQIMV-UHFFFAOYSA-N 0 3 298.789 3.037 20 70 CGIDHN CC(C)(C)c1nc(CN[C@H]2CCOC(C)(C)C2)cs1 ZINC000159779268 526867199 /nfs/dbraw/zinc/86/71/99/526867199.db2.gz CJFZKPIMYUUQIG-NSHDSACASA-N 0 3 282.453 3.488 20 70 CGIDHN C[C@H]1CCC[C@@H](CNCc2nn(C)c3ccccc23)C1 ZINC000218135180 346292911 /nfs/dbraw/zinc/29/29/11/346292911.db2.gz BMJNUCDHDYHWKO-UONOGXRCSA-N 0 3 271.408 3.489 20 70 CGIDHN Cc1c(CNCc2csc3ccccc23)cnn1C ZINC000160220043 188460157 /nfs/dbraw/zinc/46/01/57/188460157.db2.gz SXEAZAGFQDVBLD-UHFFFAOYSA-N 0 3 271.389 3.233 20 70 CGIDHN CC[C@H](NCCN(C)CCOC)c1ccc(Cl)s1 ZINC000159411440 372140727 /nfs/dbraw/zinc/14/07/27/372140727.db2.gz RIQFPYYNNURYSM-NSHDSACASA-N 0 3 290.860 3.020 20 70 CGIDHN Fc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000159514102 372150793 /nfs/dbraw/zinc/15/07/93/372150793.db2.gz JJMIWIWAGURYAO-GLQYFDAESA-N 0 3 279.330 3.012 20 70 CGIDHN COc1ccc([C@H](C)NCC2(CO)CCCC2)c(F)c1 ZINC000160074523 372210613 /nfs/dbraw/zinc/21/06/13/372210613.db2.gz BACMMHKKYQECEW-LBPRGKRZSA-N 0 3 281.371 3.038 20 70 CGIDHN Cc1cnc(C)c(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000160234223 372227513 /nfs/dbraw/zinc/22/75/13/372227513.db2.gz QSRHQNNJDWTUEK-GUYCJALGSA-N 0 3 296.418 3.026 20 70 CGIDHN CCOc1ccc([C@@H](C)N[C@H](COC)C2CC2)cc1OC ZINC000159978914 372199961 /nfs/dbraw/zinc/19/99/61/372199961.db2.gz CFSKSFKGYVVIQV-IUODEOHRSA-N 0 3 293.407 3.170 20 70 CGIDHN CCOc1ccc([C@H](C)N[C@H](CC)COC)cc1OC ZINC000159975068 372200716 /nfs/dbraw/zinc/20/07/16/372200716.db2.gz HZEZJPUVOLJNFB-GXTWGEPZSA-N 0 3 281.396 3.170 20 70 CGIDHN CC1(C)C[C@@H](NCc2cc(F)c(F)cc2F)CCO1 ZINC000160561848 372257807 /nfs/dbraw/zinc/25/78/07/372257807.db2.gz SKFBCUJMJGTOAE-JTQLQIEISA-N 0 3 273.298 3.151 20 70 CGIDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2ccccn2)C12CCC2 ZINC000160833054 372279580 /nfs/dbraw/zinc/27/95/80/372279580.db2.gz UWJVLICHGSEJOZ-BPLDGKMQSA-N 0 3 260.381 3.080 20 70 CGIDHN CC[C@H](NCc1cnn(C)c1C)c1ccc(F)cc1 ZINC000161307916 372316045 /nfs/dbraw/zinc/31/60/45/372316045.db2.gz DRIGCPZXFOUJCC-HNNXBMFYSA-N 0 3 261.344 3.109 20 70 CGIDHN Cc1cccn2cc(CN[C@H](C)CCc3ccco3)nc12 ZINC000161461718 372326941 /nfs/dbraw/zinc/32/69/41/372326941.db2.gz YVTBPJAKLZQQIC-CQSZACIVSA-N 0 3 283.375 3.347 20 70 CGIDHN COc1c(C)cnc(Cn2c(C)nc3c2CCCC3)c1C ZINC000160736133 542155670 /nfs/dbraw/zinc/15/56/70/542155670.db2.gz FYKHHMPBVFOLEF-UHFFFAOYSA-N 0 3 285.391 3.139 20 70 CGIDHN Cc1ncc(-c2cccc(OCCN(C)C)c2)s1 ZINC000218054008 542286444 /nfs/dbraw/zinc/28/64/44/542286444.db2.gz KJRGWYOFFPWFID-UHFFFAOYSA-N 0 3 262.378 3.059 20 70 CGIDHN C[C@@H]1SCCN(CCn2ccnc2)[C@@H]1c1ccccc1 ZINC000159834871 279072583 /nfs/dbraw/zinc/07/25/83/279072583.db2.gz YXFMJZNZDCUPCO-HOCLYGCPSA-N 0 3 287.432 3.062 20 70 CGIDHN C[C@@H]1CCC[C@@H](NC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000160916811 321860134 /nfs/dbraw/zinc/86/01/34/321860134.db2.gz FIOHJXPGPGGIQJ-HUUCEWRRSA-N 0 3 295.471 3.081 20 70 CGIDHN CC(C)(C)NC(=O)CNC1CC(c2cccc(Cl)c2)C1 ZINC000159864208 526311720 /nfs/dbraw/zinc/31/17/20/526311720.db2.gz ILOIXXJOKBOLSP-UHFFFAOYSA-N 0 3 294.826 3.090 20 70 CGIDHN CCOCCCN[C@H](CC)c1ccc(F)cc1F ZINC000160656408 346171717 /nfs/dbraw/zinc/17/17/17/346171717.db2.gz OVXQJZFUYFIKJW-CQSZACIVSA-N 0 3 257.324 3.432 20 70 CGIDHN FC(F)(F)COCCN[C@H]1CCCOc2ccccc21 ZINC000159363841 372135266 /nfs/dbraw/zinc/13/52/66/372135266.db2.gz CYWROWGMMSMMQR-LBPRGKRZSA-N 0 3 289.297 3.069 20 70 CGIDHN CCS[C@@H]1CCC[C@@H](N[C@@H](C)c2cnccn2)C1 ZINC000159404247 372139144 /nfs/dbraw/zinc/13/91/44/372139144.db2.gz ICDDDQNFMNVTDQ-YNEHKIRRSA-N 0 3 265.426 3.192 20 70 CGIDHN CCN(CCN[C@H](C)c1cncs1)C(=O)OC(C)(C)C ZINC000159457939 372145551 /nfs/dbraw/zinc/14/55/51/372145551.db2.gz AIKKRARVGJRXTK-LLVKDONJSA-N 0 3 299.440 3.051 20 70 CGIDHN c1c2ccccc2oc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159491100 372148902 /nfs/dbraw/zinc/14/89/02/372148902.db2.gz CXRWXOHYHUXGQJ-UAGQMJEPSA-N 0 3 283.371 3.480 20 70 CGIDHN COc1ccc(CN(C)C)cc1NCc1ccc(C)nc1 ZINC000159569530 372155975 /nfs/dbraw/zinc/15/59/75/372155975.db2.gz UBEROHQHHVQCPJ-UHFFFAOYSA-N 0 3 285.391 3.072 20 70 CGIDHN C[C@H](NCCO)c1ccc(Oc2ccccc2)c(F)c1 ZINC000159688208 372170476 /nfs/dbraw/zinc/17/04/76/372170476.db2.gz PHIZKWMFRPHXAB-LBPRGKRZSA-N 0 3 275.323 3.261 20 70 CGIDHN C[C@@H](NCCO)c1ccc(SC2CCCC2)cc1 ZINC000159720484 372171342 /nfs/dbraw/zinc/17/13/42/372171342.db2.gz KIVOSRXPXNZULG-GFCCVEGCSA-N 0 3 265.422 3.364 20 70 CGIDHN CC1(C)Cc2cccc(CNCC3(CO)CCCC3)c2O1 ZINC000160067024 372209248 /nfs/dbraw/zinc/20/92/48/372209248.db2.gz PQYCMYPMJBKUKB-UHFFFAOYSA-N 0 3 289.419 3.042 20 70 CGIDHN CC(C)Oc1ccccc1CNCC1(CO)CCCC1 ZINC000160117096 372214962 /nfs/dbraw/zinc/21/49/62/372214962.db2.gz WAHUNHLZFIWICQ-UHFFFAOYSA-N 0 3 277.408 3.116 20 70 CGIDHN CC[C@@]1(C)C[C@H]1C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000160133361 372216685 /nfs/dbraw/zinc/21/66/85/372216685.db2.gz DCHQENAWTSJNPV-WMZOPIPTSA-N 0 3 288.435 3.013 20 70 CGIDHN Cc1ccc(C(=O)CCN2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000160321753 372237129 /nfs/dbraw/zinc/23/71/29/372237129.db2.gz OSYREHNPGAIGSV-SJLPKXTDSA-N 0 3 287.403 3.069 20 70 CGIDHN COC(=O)c1cc(CN[C@@H]2CCCc3sccc32)c[nH]1 ZINC000160982805 372293053 /nfs/dbraw/zinc/29/30/53/372293053.db2.gz YDQVOGKBJHTAQK-GFCCVEGCSA-N 0 3 290.388 3.030 20 70 CGIDHN CCc1nc(CN[C@H](c2ccccc2C)C(C)C)n[nH]1 ZINC000160425555 372246568 /nfs/dbraw/zinc/24/65/68/372246568.db2.gz ZFQGOORHHDXSEY-INIZCTEOSA-N 0 3 272.396 3.162 20 70 CGIDHN CC(C)C[C@H](NC[C@H]1CCCC[C@@H]1O)c1ccccn1 ZINC000160466541 372250384 /nfs/dbraw/zinc/25/03/84/372250384.db2.gz TZHUGHWLKYBVSG-PVAVHDDUSA-N 0 3 276.424 3.310 20 70 CGIDHN C[C@H](NCC1(Sc2ccccc2)CC1)c1cnccn1 ZINC000160486521 372252460 /nfs/dbraw/zinc/25/24/60/372252460.db2.gz BBNDWIYKPGFKDI-ZDUSSCGKSA-N 0 3 285.416 3.452 20 70 CGIDHN CCSc1ccccc1[C@@H](C)NCC(C)(C)O ZINC000160610192 372262159 /nfs/dbraw/zinc/26/21/59/372262159.db2.gz YABIAYASEDYSRJ-LLVKDONJSA-N 0 3 253.411 3.220 20 70 CGIDHN CN(Cc1ccc(Br)cc1)CC1=CCCOC1 ZINC000160802218 372278072 /nfs/dbraw/zinc/27/80/72/372278072.db2.gz VOZAYSGLQCVIDV-UHFFFAOYSA-N 0 3 296.208 3.228 20 70 CGIDHN CCCN(CCO)Cc1ccc(F)cc1C(F)(F)F ZINC000161236743 372311024 /nfs/dbraw/zinc/31/10/24/372311024.db2.gz DHKWBAQTSKIZNN-UHFFFAOYSA-N 0 3 279.277 3.049 20 70 CGIDHN CCOC[C@H](O)CN[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000161343213 372317282 /nfs/dbraw/zinc/31/72/82/372317282.db2.gz ZUJRCQKRGOEDKR-HNAYVOBHSA-N 0 3 299.414 3.402 20 70 CGIDHN COc1ccccc1[C@H](C)NC[C@@H](CO)c1ccccc1 ZINC000161471525 372327363 /nfs/dbraw/zinc/32/73/63/372327363.db2.gz ZVSFDMHWMXRMNP-HOCLYGCPSA-N 0 3 285.387 3.122 20 70 CGIDHN C[C@@H]1CCCC[C@H]1N(C)C(=O)CN(C1CC1)C1CCCC1 ZINC000216859622 376168537 /nfs/dbraw/zinc/16/85/37/376168537.db2.gz LVXQLQLYPLWLCS-RHSMWYFYSA-N 0 3 292.467 3.431 20 70 CGIDHN CCOc1ccc([C@H](C)N[C@@H](CC)COC)cc1OC ZINC000159974935 165472106 /nfs/dbraw/zinc/47/21/06/165472106.db2.gz HZEZJPUVOLJNFB-JSGCOSHPSA-N 0 3 281.396 3.170 20 70 CGIDHN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000159889585 281396793 /nfs/dbraw/zinc/39/67/93/281396793.db2.gz KQJZQBORIWIDBY-IJEWVQPXSA-N 0 3 288.435 3.073 20 70 CGIDHN C[C@H](C1CC1)N(Cc1ccnn1C)Cc1ccccc1 ZINC000159681206 298260563 /nfs/dbraw/zinc/26/05/63/298260563.db2.gz BZJJJVFNBAPWNY-CQSZACIVSA-N 0 3 269.392 3.221 20 70 CGIDHN CCCC1(CN[C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000160771791 321857382 /nfs/dbraw/zinc/85/73/82/321857382.db2.gz LDJFGOPLTVXLOI-INIZCTEOSA-N 0 3 286.419 3.176 20 70 CGIDHN CC(C)C[C@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000160910906 519415999 /nfs/dbraw/zinc/41/59/99/519415999.db2.gz CCUAVJFZBRJABX-CQSZACIVSA-N 0 3 257.381 3.202 20 70 CGIDHN CCc1nnc(C[NH2+][C@H](CC)C(C)(C)c2ccccc2)[n-]1 ZINC000160625599 522355359 /nfs/dbraw/zinc/35/53/59/522355359.db2.gz YUCFMCCFPHYRLW-CQSZACIVSA-N 0 3 286.423 3.213 20 70 CGIDHN CCc1nnc(CN[C@H](CC)C(C)(C)c2ccccc2)[nH]1 ZINC000160625599 522355369 /nfs/dbraw/zinc/35/53/69/522355369.db2.gz YUCFMCCFPHYRLW-CQSZACIVSA-N 0 3 286.423 3.213 20 70 CGIDHN Cc1ccc([C@H](C)NCCOCCOc2ccccc2)o1 ZINC000160750709 525920108 /nfs/dbraw/zinc/92/01/08/525920108.db2.gz AWMJRJBDDBBFDU-HNNXBMFYSA-N 0 3 289.375 3.334 20 70 CGIDHN c1nc2ccccn2c1CN1CCC2(C1)CCCCC2 ZINC000160627269 526609268 /nfs/dbraw/zinc/60/92/68/526609268.db2.gz WQODGMMXMYSAQV-UHFFFAOYSA-N 0 3 269.392 3.491 20 70 CGIDHN CCCC[C@H](CCC)NC(=O)N1CCCN(CC)CC1 ZINC000159947749 528922158 /nfs/dbraw/zinc/92/21/58/528922158.db2.gz FIIUCRQFLVGGAG-HNNXBMFYSA-N 0 3 283.460 3.083 20 70 CGIDHN CC[C@@H](C)NCc1c(F)cccc1Br ZINC000160260640 529374330 /nfs/dbraw/zinc/37/43/30/529374330.db2.gz WLVXJRABLYCDNW-MRVPVSSYSA-N 0 3 260.150 3.476 20 70 CGIDHN Cc1cc(OCCN2CCC(C)(O)CC2)ccc1C(C)C ZINC000161229192 232248948 /nfs/dbraw/zinc/24/89/48/232248948.db2.gz XONCGEFNQAWEQD-UHFFFAOYSA-N 0 3 291.435 3.344 20 70 CGIDHN C[C@@H](c1cccc(F)c1)N(C)CCOCC1CC1 ZINC000159768408 372178305 /nfs/dbraw/zinc/17/83/05/372178305.db2.gz NHYOPQNDOHSOLS-LBPRGKRZSA-N 0 3 251.345 3.245 20 70 CGIDHN OCCNCc1ccccc1Oc1ccc(F)cc1Cl ZINC000159783881 372179735 /nfs/dbraw/zinc/17/97/35/372179735.db2.gz AXHGNAOJIOLRPQ-UHFFFAOYSA-N 0 3 295.741 3.353 20 70 CGIDHN CCCCOCCN(CCc1nccs1)C(C)C ZINC000159807641 372183034 /nfs/dbraw/zinc/18/30/34/372183034.db2.gz KLJZBXQEMHXVSW-UHFFFAOYSA-N 0 3 270.442 3.213 20 70 CGIDHN CN(C)c1ccncc1CN[C@@H]1CCCc2sccc21 ZINC000160993678 372292191 /nfs/dbraw/zinc/29/21/91/372292191.db2.gz MOIBMSTVEDDBGQ-CQSZACIVSA-N 0 3 287.432 3.376 20 70 CGIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NC(C)(C)CC ZINC000160587534 372261475 /nfs/dbraw/zinc/26/14/75/372261475.db2.gz JIYAGYNTDVSSEU-OLZOCXBDSA-N 0 3 256.434 3.048 20 70 CGIDHN CN(C)Cc1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000161084530 372301032 /nfs/dbraw/zinc/30/10/32/372301032.db2.gz SVIDDJHCLDPNRX-ROUUACIJSA-N 0 3 294.398 3.034 20 70 CGIDHN C[C@@H]1CCC[C@H](NC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000160916652 372287447 /nfs/dbraw/zinc/28/74/47/372287447.db2.gz FIOHJXPGPGGIQJ-CABCVRRESA-N 0 3 295.471 3.081 20 70 CGIDHN Cc1ccc(NC(=O)[C@H](C)N)cc1OCC1CCCCC1 ZINC000161378893 372320235 /nfs/dbraw/zinc/32/02/35/372320235.db2.gz UOVKXZICMOYLKN-ZDUSSCGKSA-N 0 3 290.407 3.240 20 70 CGIDHN C[C@H](NC[C@@H](CO)c1ccccc1)c1cc(F)ccc1F ZINC000161430219 372322862 /nfs/dbraw/zinc/32/28/62/372322862.db2.gz WDGJURCZBOTMEU-JSGCOSHPSA-N 0 3 291.341 3.392 20 70 CGIDHN COC(=O)c1ccccc1CN1CCC[C@@H](C)[C@@H]1C ZINC000217611067 376177450 /nfs/dbraw/zinc/17/74/50/376177450.db2.gz NYYGHBMGIISFCN-OLZOCXBDSA-N 0 3 261.365 3.094 20 70 CGIDHN Cn1ncc2c1CCC[C@@H]2NCc1cccc2cc[nH]c21 ZINC000218104883 376184888 /nfs/dbraw/zinc/18/48/88/376184888.db2.gz WEADTBLHMSYGLR-HNNXBMFYSA-N 0 3 280.375 3.069 20 70 CGIDHN Cc1nn(-c2ccccc2)c(C)c1CN[C@@H]1CCSC1 ZINC000218619151 392998407 /nfs/dbraw/zinc/99/84/07/392998407.db2.gz BGEJMSXIIFZCID-CQSZACIVSA-N 0 3 287.432 3.084 20 70 CGIDHN Cc1ccccc1CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161493201 321868163 /nfs/dbraw/zinc/86/81/63/321868163.db2.gz OHDZUEQXDKUUPZ-AWEZNQCLSA-N 0 3 287.325 3.130 20 70 CGIDHN Cc1ccccc1CN(C)Cc1c[nH]nc1-c1cccnc1 ZINC000160526448 525129066 /nfs/dbraw/zinc/12/90/66/525129066.db2.gz SGTKPBWPOODRFY-UHFFFAOYSA-N 0 3 292.386 3.412 20 70 CGIDHN Cn1c(CN2CC[C@@H]3CCCC[C@@H]32)nnc1-c1ccccc1 ZINC000160889748 527056969 /nfs/dbraw/zinc/05/69/69/527056969.db2.gz IYKRZYVBLJBCGK-HOCLYGCPSA-N 0 3 296.418 3.247 20 70 CGIDHN Fc1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(F)c1 ZINC000159616485 188434714 /nfs/dbraw/zinc/43/47/14/188434714.db2.gz GZVXXRXIBPUTRW-QEJZJMRPSA-N 0 3 279.330 3.012 20 70 CGIDHN COc1cc([C@H](C)N[C@@H]2C[C@@H](OC)C2(C)C)ccc1F ZINC000218266902 138493439 /nfs/dbraw/zinc/49/34/39/138493439.db2.gz BWMHXVXQXWABQY-COLVAYQJSA-N 0 3 281.371 3.298 20 70 CGIDHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(-c2ccccc2)o1 ZINC000159506203 372151208 /nfs/dbraw/zinc/15/12/08/372151208.db2.gz RZCUJCREVFGCRX-UKRRQHHQSA-N 0 3 298.386 3.032 20 70 CGIDHN Cc1cccc(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159685409 372167972 /nfs/dbraw/zinc/16/79/72/372167972.db2.gz GHWYXWVKOPOTQA-HOCLYGCPSA-N 0 3 272.392 3.198 20 70 CGIDHN COc1ccccc1-c1ccc([C@@H](C)NCCO)cc1 ZINC000159687452 372168508 /nfs/dbraw/zinc/16/85/08/372168508.db2.gz UYCSPBKSJZDODX-CYBMUJFWSA-N 0 3 271.360 3.005 20 70 CGIDHN Cc1ccc(C(=O)CCN2CCC(n3ccnc3)CC2)cc1 ZINC000160065826 372207933 /nfs/dbraw/zinc/20/79/33/372207933.db2.gz PZAYEZQBBOBOAF-UHFFFAOYSA-N 0 3 297.402 3.101 20 70 CGIDHN Cc1ccc(CN2CCCc3ccccc3C2)nc1 ZINC000160069246 372209097 /nfs/dbraw/zinc/20/90/97/372209097.db2.gz KRDFSFONMZEJNG-UHFFFAOYSA-N 0 3 252.361 3.338 20 70 CGIDHN CC(=O)Nc1cccc([C@@H](C)NC[C@H]2CCC(C)(C)O2)c1 ZINC000160223809 372226864 /nfs/dbraw/zinc/22/68/64/372226864.db2.gz LTSNVTMEUBMCEH-MLGOLLRUSA-N 0 3 290.407 3.253 20 70 CGIDHN Cc1cccc([C@H](C)C(=O)NCCN2CCCC[C@@H]2C)c1 ZINC000159897664 372193121 /nfs/dbraw/zinc/19/31/21/372193121.db2.gz VZYBKLUUKLDWSF-HOTGVXAUSA-N 0 3 288.435 3.089 20 70 CGIDHN CC(C)n1cccc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000160923003 372288969 /nfs/dbraw/zinc/28/89/69/372288969.db2.gz JLOOFEZIBVNLDJ-KRWDZBQOSA-N 0 3 299.418 3.102 20 70 CGIDHN CC(C)n1cccc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000160923126 372289508 /nfs/dbraw/zinc/28/95/08/372289508.db2.gz JLOOFEZIBVNLDJ-QGZVFWFLSA-N 0 3 299.418 3.102 20 70 CGIDHN CC[C@@H](NCCSc1ccccc1)c1cnn(C)c1 ZINC000160511814 372254350 /nfs/dbraw/zinc/25/43/50/372254350.db2.gz IBISPDNUGMEAAP-OAHLLOKOSA-N 0 3 275.421 3.253 20 70 CGIDHN CN(C)Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000161084286 372300754 /nfs/dbraw/zinc/30/07/54/372300754.db2.gz SVIDDJHCLDPNRX-MSOLQXFVSA-N 0 3 294.398 3.034 20 70 CGIDHN CCSCCNC(C)(C)c1ccccc1OC ZINC000160550603 372257929 /nfs/dbraw/zinc/25/79/29/372257929.db2.gz CBIBRTLXSGFYOI-UHFFFAOYSA-N 0 3 253.411 3.273 20 70 CGIDHN C[C@@H](NC[C@@H](CO)c1ccccc1)c1cc(F)ccc1F ZINC000161430340 372323185 /nfs/dbraw/zinc/32/31/85/372323185.db2.gz WDGJURCZBOTMEU-OCCSQVGLSA-N 0 3 291.341 3.392 20 70 CGIDHN Cc1ccccc1[C@H](NC(=O)[C@@H](C)N)C1CCC(C)CC1 ZINC000159685957 542150932 /nfs/dbraw/zinc/15/09/32/542150932.db2.gz QGYNQURWIBDXHI-LXDKRTHCSA-N 0 3 288.435 3.326 20 70 CGIDHN CCCn1nccc1CNCC(C)(C)c1cccs1 ZINC000160180033 542152469 /nfs/dbraw/zinc/15/24/69/542152469.db2.gz CUVGIORQPRGHIQ-UHFFFAOYSA-N 0 3 277.437 3.422 20 70 CGIDHN CC(C)N(C)C(=O)CN1CCC[C@H](C(C)(C)C)CC1 ZINC000217224151 392994655 /nfs/dbraw/zinc/99/46/55/392994655.db2.gz IBQHFBGAJMTLGH-AWEZNQCLSA-N 0 3 268.445 3.001 20 70 CGIDHN CCC(CC)[C@H](O)CNCc1cccc2c1OC(C)(C)C2 ZINC000217804355 270085477 /nfs/dbraw/zinc/08/54/77/270085477.db2.gz WPAFGOFSVSNEIP-MRXNPFEDSA-N 0 3 291.435 3.287 20 70 CGIDHN CCC[C@H](C(=O)N[C@H](C)c1cc2ccccc2o1)N(C)C ZINC000161279690 276039109 /nfs/dbraw/zinc/03/91/09/276039109.db2.gz LFKKIQLLMQCBNK-TZMCWYRMSA-N 0 3 288.391 3.340 20 70 CGIDHN CN(C)[C@@H](CNCc1cc(F)cc(F)c1)c1ccccc1 ZINC000159599362 232242186 /nfs/dbraw/zinc/24/21/86/232242186.db2.gz YADZHQWMZISGHS-KRWDZBQOSA-N 0 3 290.357 3.357 20 70 CGIDHN C[C@H]1CCC[C@H](CNCc2nn(C)c3ccccc23)C1 ZINC000218135341 346292727 /nfs/dbraw/zinc/29/27/27/346292727.db2.gz BMJNUCDHDYHWKO-KBPBESRZSA-N 0 3 271.408 3.489 20 70 CGIDHN Fc1cccc(CN(CCOCC2CC2)C2CC2)c1 ZINC000159400397 372138821 /nfs/dbraw/zinc/13/88/21/372138821.db2.gz RMFLHMGNEMBJCM-UHFFFAOYSA-N 0 3 263.356 3.217 20 70 CGIDHN CCN(CCOc1ccccc1)CCc1nccs1 ZINC000159431207 372142956 /nfs/dbraw/zinc/14/29/56/372142956.db2.gz PDCPWUDBPAKISL-UHFFFAOYSA-N 0 3 276.405 3.087 20 70 CGIDHN Fc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(F)c1 ZINC000159616623 372161517 /nfs/dbraw/zinc/16/15/17/372161517.db2.gz GZVXXRXIBPUTRW-YUELXQCFSA-N 0 3 279.330 3.012 20 70 CGIDHN NC1(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)CCCCC1 ZINC000159723688 372174489 /nfs/dbraw/zinc/17/44/89/372174489.db2.gz MYLYGCXPLDNEJD-CVEARBPZSA-N 0 3 286.419 3.101 20 70 CGIDHN CCOC(=O)CCCCN1CCC[C@H]1c1cccc(C)n1 ZINC000160064465 372207983 /nfs/dbraw/zinc/20/79/83/372207983.db2.gz MSACRAGSMSXECY-INIZCTEOSA-N 0 3 290.407 3.260 20 70 CGIDHN COc1cccc([C@@H](C)NC[C@@H]2CCC(C)(C)O2)c1 ZINC000160325024 372237373 /nfs/dbraw/zinc/23/73/73/372237373.db2.gz JDAFLXKXSUYLKJ-DOMZBBRYSA-N 0 3 263.381 3.303 20 70 CGIDHN CCCc1ccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160421902 372246403 /nfs/dbraw/zinc/24/64/03/372246403.db2.gz HLWCDFBZXVHGLH-SUMWQHHRSA-N 0 3 298.434 3.205 20 70 CGIDHN CC(C)C[C@@H](NC[C@@H]1CCCC[C@@H]1O)c1ccccn1 ZINC000160466404 372249654 /nfs/dbraw/zinc/24/96/54/372249654.db2.gz TZHUGHWLKYBVSG-UAGQMJEPSA-N 0 3 276.424 3.310 20 70 CGIDHN CC[C@@H](NCCC(=O)OC(C)C)c1ccc(F)cc1F ZINC000160693395 372268309 /nfs/dbraw/zinc/26/83/09/372268309.db2.gz KZQORHVPJPKGTH-CQSZACIVSA-N 0 3 285.334 3.347 20 70 CGIDHN CCC[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N(C)C ZINC000161279442 372314832 /nfs/dbraw/zinc/31/48/32/372314832.db2.gz LFKKIQLLMQCBNK-GXTWGEPZSA-N 0 3 288.391 3.340 20 70 CGIDHN Cc1cccn2cc(CN[C@@H](C)CCc3ccco3)nc12 ZINC000161461583 372327918 /nfs/dbraw/zinc/32/79/18/372327918.db2.gz YVTBPJAKLZQQIC-AWEZNQCLSA-N 0 3 283.375 3.347 20 70 CGIDHN COc1ccc(C)cc1[C@@H](C)NC[C@H](CO)c1ccccc1 ZINC000161480169 372327942 /nfs/dbraw/zinc/32/79/42/372327942.db2.gz CVJXWBVQPOYOHK-NVXWUHKLSA-N 0 3 299.414 3.430 20 70 CGIDHN C[C@@H]1CCC[C@@H](N(C)C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000218597199 392998370 /nfs/dbraw/zinc/99/83/70/392998370.db2.gz BPQYLHOUZKREBP-FVQBIDKESA-N 0 3 274.408 3.114 20 70 CGIDHN CCC[C@](C)(O)CNCc1cccc2c1OC(C)(C)C2 ZINC000217805762 270085578 /nfs/dbraw/zinc/08/55/78/270085578.db2.gz AQWZEFCTOUCRAN-KRWDZBQOSA-N 0 3 277.408 3.041 20 70 CGIDHN Fc1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000159514240 279462831 /nfs/dbraw/zinc/46/28/31/279462831.db2.gz JJMIWIWAGURYAO-CQDKDKBSSA-N 0 3 279.330 3.012 20 70 CGIDHN CC[C@H](CO)N[C@H](CC)c1cccc(Cl)c1F ZINC000161480212 321868130 /nfs/dbraw/zinc/86/81/30/321868130.db2.gz VNQCNNNUMDJNMV-BXKDBHETSA-N 0 3 259.752 3.291 20 70 CGIDHN CCO[C@H]1C[C@@H](N[C@@H](CC)c2cnn(C)c2)C1(CC)CC ZINC000161291576 520552128 /nfs/dbraw/zinc/55/21/28/520552128.db2.gz RUYHKXVJQVEZOE-XHSDSOJGSA-N 0 3 293.455 3.445 20 70 CGIDHN Cc1cccc(OCCNCc2cccc3c2NCC3)c1 ZINC000159397442 524750282 /nfs/dbraw/zinc/75/02/82/524750282.db2.gz IDWLDCRQSMUXGE-UHFFFAOYSA-N 0 3 282.387 3.132 20 70 CGIDHN Cc1ccc([C@@H](C)NCCOCCOc2ccccc2)o1 ZINC000160750602 525726379 /nfs/dbraw/zinc/72/63/79/525726379.db2.gz AWMJRJBDDBBFDU-OAHLLOKOSA-N 0 3 289.375 3.334 20 70 CGIDHN CCSCCN(C)Cc1ccc(OC)c(C)c1 ZINC000160502839 529178758 /nfs/dbraw/zinc/17/87/58/529178758.db2.gz QSFVNCMJMHPPLJ-UHFFFAOYSA-N 0 3 253.411 3.189 20 70 CGIDHN CCc1ccccc1C(=O)NCC(C)(C)N1CCCCC1 ZINC000161378894 529566805 /nfs/dbraw/zinc/56/68/05/529566805.db2.gz UBCQFVRFLDAYNM-UHFFFAOYSA-N 0 3 288.435 3.243 20 70 CGIDHN CC[C@H](NCCCCC(=O)OC)c1ccc(F)cc1F ZINC000160832375 346172734 /nfs/dbraw/zinc/17/27/34/346172734.db2.gz MZMACCDUPWDGFU-AWEZNQCLSA-N 0 3 285.334 3.349 20 70 CGIDHN Cc1cccc(C(=O)Nc2ccccc2CN(C)C)c1F ZINC000161457946 346175884 /nfs/dbraw/zinc/17/58/84/346175884.db2.gz UUPVCRCVFGSBRX-UHFFFAOYSA-N 0 3 286.350 3.448 20 70 CGIDHN Cc1cc(Cl)cc(C)c1CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159527068 372152498 /nfs/dbraw/zinc/15/24/98/372152498.db2.gz NXCQMLNLKVSQCY-QWHCGFSZSA-N 0 3 294.826 3.043 20 70 CGIDHN NC1(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)CCCCC1 ZINC000159723964 372173200 /nfs/dbraw/zinc/17/32/00/372173200.db2.gz MYLYGCXPLDNEJD-HZPDHXFCSA-N 0 3 286.419 3.101 20 70 CGIDHN CCCCOCCN1CCC[C@@H]1c1cccc(C)n1 ZINC000159735665 372174356 /nfs/dbraw/zinc/17/43/56/372174356.db2.gz LVDZIMGZUHMAIG-MRXNPFEDSA-N 0 3 262.397 3.344 20 70 CGIDHN CCCCO[C@@H]1C[C@H](N[C@@H](CC)c2cnn(C)c2)C1(C)C ZINC000159766995 372178370 /nfs/dbraw/zinc/17/83/70/372178370.db2.gz HODKWEBKEJUXJY-HRCADAONSA-N 0 3 293.455 3.445 20 70 CGIDHN CCCC[C@H](COC)NCc1ccc(OC(C)C)nc1 ZINC000160080073 372210904 /nfs/dbraw/zinc/21/09/04/372210904.db2.gz JFSOFDSDZKXYNV-OAHLLOKOSA-N 0 3 280.412 3.164 20 70 CGIDHN CC[C@@]1(C)C[C@@H]1C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000160133094 372216613 /nfs/dbraw/zinc/21/66/13/372216613.db2.gz DCHQENAWTSJNPV-AEFFLSMTSA-N 0 3 288.435 3.013 20 70 CGIDHN CCC[C@H](O)CNCc1ccc(F)c(C(F)(F)F)c1 ZINC000160149006 372218096 /nfs/dbraw/zinc/21/80/96/372218096.db2.gz KTCWSIAOBXIIBA-JTQLQIEISA-N 0 3 279.277 3.095 20 70 CGIDHN CC1(C)C[C@H](NCc2c(Cl)nc3ccccn32)CCO1 ZINC000160432534 372246290 /nfs/dbraw/zinc/24/62/90/372246290.db2.gz LUACBMQTYBMZEW-LLVKDONJSA-N 0 3 293.798 3.035 20 70 CGIDHN Cc1ccc(CN(C)Cc2ccc(-n3cncn3)cc2)cc1 ZINC000160639902 372264097 /nfs/dbraw/zinc/26/40/97/372264097.db2.gz JSIOTQXTAXISKZ-UHFFFAOYSA-N 0 3 292.386 3.208 20 70 CGIDHN CC(C)C1CCN(Cc2cnc3ccccn23)CC1 ZINC000160794597 372275557 /nfs/dbraw/zinc/27/55/57/372275557.db2.gz AWDGEZWDFNHWOJ-UHFFFAOYSA-N 0 3 257.381 3.202 20 70 CGIDHN C[C@H](NC[C@H](CO)c1ccccc1)c1ccc(F)cc1F ZINC000161455374 372325535 /nfs/dbraw/zinc/32/55/35/372325535.db2.gz XBKQJBSIWDNBIE-GXTWGEPZSA-N 0 3 291.341 3.392 20 70 CGIDHN Cc1cnn(CCN[C@@H](C)c2ccc(Cl)c(F)c2)c1 ZINC000218268534 376187168 /nfs/dbraw/zinc/18/71/68/376187168.db2.gz ODGJQAWGQGIIKE-NSHDSACASA-N 0 3 281.762 3.335 20 70 CGIDHN Cc1ccccc1[C@@H](NC(=O)[C@@H](C)N)C1CCC(C)CC1 ZINC000159686098 542150238 /nfs/dbraw/zinc/15/02/38/542150238.db2.gz QGYNQURWIBDXHI-MAIKSMBNSA-N 0 3 288.435 3.326 20 70 CGIDHN CCCn1nccc1CN[C@@H]1CCCc2ccccc21 ZINC000159982350 542151449 /nfs/dbraw/zinc/15/14/49/542151449.db2.gz WJONVPPRQHZCNU-QGZVFWFLSA-N 0 3 269.392 3.460 20 70 CGIDHN CCn1nccc1CN[C@@H](c1ccc(OC)cc1)C(C)C ZINC000159907419 542151598 /nfs/dbraw/zinc/15/15/98/542151598.db2.gz RVOPVWMDPDCIHC-QGZVFWFLSA-N 0 3 287.407 3.399 20 70 CGIDHN CC(C)(C)[C@H]1CCN(C(=O)Nc2cccc(CN)c2)C1 ZINC000160979213 542157586 /nfs/dbraw/zinc/15/75/86/542157586.db2.gz QAPZZORXEIIAOO-ZDUSSCGKSA-N 0 3 275.396 3.045 20 70 CGIDHN c1ccc([C@H](N[C@H]2CCSC2)c2ccncc2)cc1 ZINC000218599137 392998098 /nfs/dbraw/zinc/99/80/98/392998098.db2.gz LXEBRHFPEONEQW-HOTGVXAUSA-N 0 3 270.401 3.266 20 70 CGIDHN CCCN(CC(=O)N(C)[C@H]1CCCC[C@@H]1C)CC1CC1 ZINC000217200418 270085171 /nfs/dbraw/zinc/08/51/71/270085171.db2.gz JEMCQWUWHDNCMA-HOCLYGCPSA-N 0 3 280.456 3.146 20 70 CGIDHN CCC[C@@](C)(O)CNCc1cccc2c1OC(C)(C)C2 ZINC000217805668 270085436 /nfs/dbraw/zinc/08/54/36/270085436.db2.gz AQWZEFCTOUCRAN-QGZVFWFLSA-N 0 3 277.408 3.041 20 70 CGIDHN CCN1CCCC[C@@H]1CN[C@@H](C)c1ccc(C)o1 ZINC000161208665 521596905 /nfs/dbraw/zinc/59/69/05/521596905.db2.gz QTNBVCQJUDQTBQ-UONOGXRCSA-N 0 3 250.386 3.113 20 70 CGIDHN COCC(C)(C)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000160145526 232244281 /nfs/dbraw/zinc/24/42/81/232244281.db2.gz ROZBYCDODBBIJY-UHFFFAOYSA-N 0 3 279.277 3.359 20 70 CGIDHN Cc1ccc([C@H](C)NC[C@](C)(O)CCC(C)C)o1 ZINC000159431769 372143288 /nfs/dbraw/zinc/14/32/88/372143288.db2.gz GESAFYBJTQDDPM-DZGCQCFKSA-N 0 3 253.386 3.426 20 70 CGIDHN NC1(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)CCCCC1 ZINC000159723828 372174542 /nfs/dbraw/zinc/17/45/42/372174542.db2.gz MYLYGCXPLDNEJD-JKSUJKDBSA-N 0 3 286.419 3.101 20 70 CGIDHN COc1cccc([C@H](C)N(C)CCOCC2CC2)c1 ZINC000159762991 372177698 /nfs/dbraw/zinc/17/76/98/372177698.db2.gz BXINYBGHCJWFLO-ZDUSSCGKSA-N 0 3 263.381 3.115 20 70 CGIDHN CCC[C@@H](O)CNCc1ccc(F)c(C(F)(F)F)c1 ZINC000160149142 372218559 /nfs/dbraw/zinc/21/85/59/372218559.db2.gz KTCWSIAOBXIIBA-SNVBAGLBSA-N 0 3 279.277 3.095 20 70 CGIDHN C[C@]1(NCc2ccc(-c3ccc(F)cc3)o2)CCOC1 ZINC000160184215 372221954 /nfs/dbraw/zinc/22/19/54/372221954.db2.gz SNSBCBBZMULYDJ-INIZCTEOSA-N 0 3 275.323 3.354 20 70 CGIDHN C[C@@](O)(CN[C@H]1CCc2cc(F)ccc21)c1ccsc1 ZINC000159871967 372188829 /nfs/dbraw/zinc/18/88/29/372188829.db2.gz HVZAXYVJBWLNFH-JKSUJKDBSA-N 0 3 291.391 3.372 20 70 CGIDHN CC[C@H](NCCCNC(=O)C(C)C)c1ccc(F)cc1F ZINC000159982500 372201194 /nfs/dbraw/zinc/20/11/94/372201194.db2.gz XMLFUDFFKPNCMT-HNNXBMFYSA-N 0 3 298.377 3.168 20 70 CGIDHN C[C@H](N[C@H](CCO)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000161092301 372299897 /nfs/dbraw/zinc/29/98/97/372299897.db2.gz GAHBWVZRWFAFCD-XJKSGUPXSA-N 0 3 299.370 3.190 20 70 CGIDHN C[C@@H](NCC1(Sc2ccccc2)CC1)c1cnccn1 ZINC000160486637 372251814 /nfs/dbraw/zinc/25/18/14/372251814.db2.gz BBNDWIYKPGFKDI-CYBMUJFWSA-N 0 3 285.416 3.452 20 70 CGIDHN CC[C@@H](C)CN(CC)Cc1nc(N)c2ccccc2n1 ZINC000160567699 372257471 /nfs/dbraw/zinc/25/74/71/372257471.db2.gz TXPSMUYHGOWCHJ-GFCCVEGCSA-N 0 3 272.396 3.080 20 70 CGIDHN Cc1ccc(CN(C)Cc2nc(C)ccc2O)cc1 ZINC000160635537 372264900 /nfs/dbraw/zinc/26/49/00/372264900.db2.gz OVECEHJYGQHVIS-UHFFFAOYSA-N 0 3 256.349 3.036 20 70 CGIDHN Cc1c2ccccc2oc1CNC(=O)C1(N)CCCCC1 ZINC000160818535 372278760 /nfs/dbraw/zinc/27/87/60/372278760.db2.gz RWNRCNHWURCBIZ-UHFFFAOYSA-N 0 3 286.375 3.019 20 70 CGIDHN Cc1ccc(C(=O)CCN[C@@H](CCO)c2ccccc2)cc1 ZINC000161436036 372324270 /nfs/dbraw/zinc/32/42/70/372324270.db2.gz DVYZLVURMKITRI-SFHVURJKSA-N 0 3 297.398 3.281 20 70 CGIDHN C[C@H](NC[C@H](CO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000161504139 372329535 /nfs/dbraw/zinc/32/95/35/372329535.db2.gz CDOAYERSMHJHGD-SWLSCSKDSA-N 0 3 291.341 3.392 20 70 CGIDHN COc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2OC)cc1F ZINC000218197840 376185467 /nfs/dbraw/zinc/18/54/67/376185467.db2.gz UGUMBIMBGCDTBJ-SGIREYDYSA-N 0 3 281.371 3.443 20 70 CGIDHN CCc1ccc([C@@H](C)NCCCS(=O)(=O)C(C)C)cc1 ZINC000160542610 542155270 /nfs/dbraw/zinc/15/52/70/542155270.db2.gz RUSVLTNDLGQQQJ-CQSZACIVSA-N 0 3 297.464 3.113 20 70 CGIDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000159889450 392581232 /nfs/dbraw/zinc/58/12/32/392581232.db2.gz KQJZQBORIWIDBY-IIAWOOMASA-N 0 3 288.435 3.073 20 70 CGIDHN CC[C@@H](NCC(=O)NCC(C)C)c1cccc(Cl)c1 ZINC000159381562 262350978 /nfs/dbraw/zinc/35/09/78/262350978.db2.gz FYWQIYRORFHSFU-CQSZACIVSA-N 0 3 282.815 3.153 20 70 CGIDHN C[C@@H](NC[C@H]1CCCC[C@@H]1O)c1cc(F)c(F)c(F)c1 ZINC000160533835 278354275 /nfs/dbraw/zinc/35/42/75/278354275.db2.gz VSDJBDBUBOBFBQ-RULNRJAQSA-N 0 3 287.325 3.306 20 70 CGIDHN Clc1ccccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159615754 321837092 /nfs/dbraw/zinc/83/70/92/321837092.db2.gz CLRZQCYUAZTCQO-CFVMTHIKSA-N 0 3 277.795 3.387 20 70 CGIDHN COc1ccc(C)cc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159640406 321837727 /nfs/dbraw/zinc/83/77/27/321837727.db2.gz SRYSPERWAHAZIN-OIISXLGYSA-N 0 3 287.403 3.051 20 70 CGIDHN CCS[C@H]1CCCCN(Cc2cnc3ccccn23)C1 ZINC000160363981 521730590 /nfs/dbraw/zinc/73/05/90/521730590.db2.gz LRKBWBRAFWGWAK-HNNXBMFYSA-N 0 3 289.448 3.442 20 70 CGIDHN Cc1ncc([C@@H](C)NCc2ccc(CN(C)C)cc2)c(C)n1 ZINC000160865967 527306681 /nfs/dbraw/zinc/30/66/81/527306681.db2.gz JBZUFTRZJNZQNS-CYBMUJFWSA-N 0 3 298.434 3.006 20 70 CGIDHN CCCN(C)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000159779755 372179937 /nfs/dbraw/zinc/17/99/37/372179937.db2.gz IXFWBZKLZUWEGR-AWEZNQCLSA-N 0 3 280.799 3.177 20 70 CGIDHN CCc1ccc(CN(CCn2ccnc2)C2CC2)cc1 ZINC000159742366 372176424 /nfs/dbraw/zinc/17/64/24/372176424.db2.gz SBOPEGTXMGARGE-UHFFFAOYSA-N 0 3 269.392 3.110 20 70 CGIDHN Cc1nc2ccccn2c1CN1[C@H](C)CCC[C@H]1C ZINC000159774981 372178625 /nfs/dbraw/zinc/17/86/25/372178625.db2.gz FMNUPIAZWZPQGI-CHWSQXEVSA-N 0 3 257.381 3.406 20 70 CGIDHN COc1ccccc1[C@@H](C)NC[C@@H]1CCC(C)(C)O1 ZINC000160326656 372239474 /nfs/dbraw/zinc/23/94/74/372239474.db2.gz TYPLSEMPQPIWCD-OLZOCXBDSA-N 0 3 263.381 3.303 20 70 CGIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)NC(C)(C)CC ZINC000160587660 372260691 /nfs/dbraw/zinc/26/06/91/372260691.db2.gz JIYAGYNTDVSSEU-STQMWFEESA-N 0 3 256.434 3.048 20 70 CGIDHN CCC[C@@H](C(=O)N[C@H](C)c1cc2ccccc2o1)N(C)C ZINC000161279550 372314993 /nfs/dbraw/zinc/31/49/93/372314993.db2.gz LFKKIQLLMQCBNK-OCCSQVGLSA-N 0 3 288.391 3.340 20 70 CGIDHN CC[C@@H](NCc1ccc(C)nc1)c1ccc2c(c1)OCCO2 ZINC000161280158 542157962 /nfs/dbraw/zinc/15/79/62/542157962.db2.gz NRLMZPAJHWRUPC-MRXNPFEDSA-N 0 3 298.386 3.402 20 70 CGIDHN O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1Cc1cc(F)cc(F)c1 ZINC000218730850 392999318 /nfs/dbraw/zinc/99/93/18/392999318.db2.gz MLBGQFXLJJAMIE-OWCLPIDISA-N 0 3 281.346 3.090 20 70 CGIDHN c1ccc2c(c1)OCCC[C@H]2N[C@H]1CCCSC1 ZINC000159608839 304858402 /nfs/dbraw/zinc/85/84/02/304858402.db2.gz ZTPLCCXOAMJPNP-GXTWGEPZSA-N 0 3 263.406 3.386 20 70 CGIDHN CCOCCCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000160399695 528658972 /nfs/dbraw/zinc/65/89/72/528658972.db2.gz IPEGTLYPABJPBT-OAHLLOKOSA-N 0 3 291.391 3.021 20 70 CGIDHN CC(C)N(CCOC(C)(C)C)CCc1nccs1 ZINC000159808868 528910386 /nfs/dbraw/zinc/91/03/86/528910386.db2.gz MJPILNVTBWBHDY-UHFFFAOYSA-N 0 3 270.442 3.211 20 70 CGIDHN CN(C)[C@H](CNCc1cc(F)cc(F)c1)c1ccccc1 ZINC000159599488 232241224 /nfs/dbraw/zinc/24/12/24/232241224.db2.gz YADZHQWMZISGHS-QGZVFWFLSA-N 0 3 290.357 3.357 20 70 CGIDHN C[C@@H]1CCC[C@@H](CNCc2nn(C)c3ccccc23)C1 ZINC000218135105 346292889 /nfs/dbraw/zinc/29/28/89/346292889.db2.gz BMJNUCDHDYHWKO-ZIAGYGMSSA-N 0 3 271.408 3.489 20 70 CGIDHN CN(C)Cc1ccc(C(=O)N[C@H]2CCCc3occc32)cc1 ZINC000159635828 372163388 /nfs/dbraw/zinc/16/33/88/372163388.db2.gz DBHDNJFJEOOLJO-INIZCTEOSA-N 0 3 298.386 3.149 20 70 CGIDHN CN(CCn1ccnc1)Cc1ccccc1C(F)(F)F ZINC000159711254 372172569 /nfs/dbraw/zinc/17/25/69/372172569.db2.gz IPTCAYYNDOQBIY-UHFFFAOYSA-N 0 3 283.297 3.034 20 70 CGIDHN COc1ccc([C@@H](C)NCC2(CO)CCCC2)c(F)c1 ZINC000160074666 372210254 /nfs/dbraw/zinc/21/02/54/372210254.db2.gz BACMMHKKYQECEW-GFCCVEGCSA-N 0 3 281.371 3.038 20 70 CGIDHN C[C@@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1 ZINC000160157114 372218864 /nfs/dbraw/zinc/21/88/64/372218864.db2.gz OSGKUNZRCXNAGJ-PBHICJAKSA-N 0 3 286.419 3.271 20 70 CGIDHN CSC[C@H](CCO)N[C@H](C)c1cc(C)sc1C ZINC000160181399 372222863 /nfs/dbraw/zinc/22/28/63/372222863.db2.gz DASFUPJPJNDKJS-PWSUYJOCSA-N 0 3 273.467 3.130 20 70 CGIDHN CC(=O)Nc1cccc([C@@H](C)NC[C@@H]2CCC(C)(C)O2)c1 ZINC000160223541 372226490 /nfs/dbraw/zinc/22/64/90/372226490.db2.gz LTSNVTMEUBMCEH-WBMJQRKESA-N 0 3 290.407 3.253 20 70 CGIDHN CC[C@H]1CCCCN1CCNC(=O)[C@@H](C)c1cccs1 ZINC000160247708 372229911 /nfs/dbraw/zinc/22/99/11/372229911.db2.gz COHLDJHDYPBXJG-KBPBESRZSA-N 0 3 294.464 3.232 20 70 CGIDHN Cc1cccc([C@@H]2CCCN2CCOC(C)(C)C)n1 ZINC000159842079 372187211 /nfs/dbraw/zinc/18/72/11/372187211.db2.gz IZPDSJBKULLAGD-HNNXBMFYSA-N 0 3 262.397 3.342 20 70 CGIDHN C[C@@](O)(CN[C@@H]1CCc2cc(F)ccc21)c1ccsc1 ZINC000159871714 372188726 /nfs/dbraw/zinc/18/87/26/372188726.db2.gz HVZAXYVJBWLNFH-HZPDHXFCSA-N 0 3 291.391 3.372 20 70 CGIDHN Cc1cccc([C@@H](C)C(=O)NCCN2CCCC[C@@H]2C)c1 ZINC000159897549 372192955 /nfs/dbraw/zinc/19/29/55/372192955.db2.gz VZYBKLUUKLDWSF-JKSUJKDBSA-N 0 3 288.435 3.089 20 70 CGIDHN CCc1oc(C(=O)NC[C@H]2CCCN2CC(C)C)cc1C ZINC000160458562 372248609 /nfs/dbraw/zinc/24/86/09/372248609.db2.gz BDPGZUYQDDTFOG-CQSZACIVSA-N 0 3 292.423 3.001 20 70 CGIDHN CC1(C)C[C@H](NCc2cc(F)c(F)cc2F)CCO1 ZINC000160561717 372258179 /nfs/dbraw/zinc/25/81/79/372258179.db2.gz SKFBCUJMJGTOAE-SNVBAGLBSA-N 0 3 273.298 3.151 20 70 CGIDHN CCc1ccc([C@H](C)NC[C@H]2CCCC[C@@H]2O)o1 ZINC000160656856 372266128 /nfs/dbraw/zinc/26/61/28/372266128.db2.gz PFAUQXISEAEVDM-SCRDCRAPSA-N 0 3 251.370 3.044 20 70 CGIDHN CC[C@H](NC[C@H]1CCOC1)c1ccc(F)cc1F ZINC000160820096 372279517 /nfs/dbraw/zinc/27/95/17/372279517.db2.gz ALSMMTLMQIURQA-YGRLFVJLSA-N 0 3 255.308 3.042 20 70 CGIDHN C[C@@H](O)C(C)(C)NCc1nc(-c2ccccc2)cs1 ZINC000161147255 372306313 /nfs/dbraw/zinc/30/63/13/372306313.db2.gz POHISXYLXXCMRU-LLVKDONJSA-N 0 3 276.405 3.059 20 70 CGIDHN COC(CN1CCCC[C@H]1c1ccc(C)cc1)OC ZINC000161234498 292079062 /nfs/dbraw/zinc/07/90/62/292079062.db2.gz YGPWPIVKVVBLCB-HNNXBMFYSA-N 0 3 263.381 3.141 20 70 CGIDHN COc1ccc([C@H](C)NC[C@@H]2CCC(C)(C)O2)cc1 ZINC000160310232 277931473 /nfs/dbraw/zinc/93/14/73/277931473.db2.gz WITLAQFFODSSDJ-WFASDCNBSA-N 0 3 263.381 3.303 20 70 CGIDHN Cc1ccccc1[C@H](NC(=O)[C@@H](C)N)[C@H]1CCC[C@H](C)C1 ZINC000159687849 302195803 /nfs/dbraw/zinc/19/58/03/302195803.db2.gz FOTRFUYDDSBBKO-PWXKEOIMSA-N 0 3 288.435 3.326 20 70 CGIDHN CC(C)C(=O)NCCCN[C@H](C)c1ccccc1Cl ZINC000159978896 321844585 /nfs/dbraw/zinc/84/45/85/321844585.db2.gz QDHRDGUOJCDVBF-GFCCVEGCSA-N 0 3 282.815 3.153 20 70 CGIDHN CCS[C@@H]1CC[C@@H](N(C)Cc2cnc3ccccn23)C1 ZINC000160879684 521726981 /nfs/dbraw/zinc/72/69/81/521726981.db2.gz WHRSHVDZHDFYOC-UKRRQHHQSA-N 0 3 289.448 3.440 20 70 CGIDHN CCCC[C@@H](CCC)NC(=O)N1CCCN(CC)CC1 ZINC000159947637 528791032 /nfs/dbraw/zinc/79/10/32/528791032.db2.gz FIIUCRQFLVGGAG-OAHLLOKOSA-N 0 3 283.460 3.083 20 70 CGIDHN Cc1c(CNCc2ccc3ccccc3c2)cnn1C ZINC000161044239 232247214 /nfs/dbraw/zinc/24/72/14/232247214.db2.gz IICMIQRIDABPHJ-UHFFFAOYSA-N 0 3 265.360 3.172 20 70 CGIDHN CCCCCN(C(=O)N[C@H]1CCN(CC2CC2)C1)C(C)C ZINC000160691355 346172323 /nfs/dbraw/zinc/17/23/23/346172323.db2.gz ZLPQAVOCBUTGQN-INIZCTEOSA-N 0 3 295.471 3.081 20 70 CGIDHN CCCCCN(C(=O)N[C@@H]1CCN(CC2CC2)C1)C(C)C ZINC000160691204 346172504 /nfs/dbraw/zinc/17/25/04/346172504.db2.gz ZLPQAVOCBUTGQN-MRXNPFEDSA-N 0 3 295.471 3.081 20 70 CGIDHN CCO[C@H]1C[C@@H](NCc2cccc(F)c2F)C1(C)C ZINC000217901587 346291489 /nfs/dbraw/zinc/29/14/89/346291489.db2.gz GODVSDLYNRIAQT-OLZOCXBDSA-N 0 3 269.335 3.258 20 70 CGIDHN CCOc1cccc(CN[C@@H](CC)c2cnn(C)c2)c1 ZINC000159382084 372137647 /nfs/dbraw/zinc/13/76/47/372137647.db2.gz GKPCCUCOWMAJLL-INIZCTEOSA-N 0 3 273.380 3.060 20 70 CGIDHN COc1cc(CN(C)CCc2ccccc2F)ccc1O ZINC000159548783 372154160 /nfs/dbraw/zinc/15/41/60/372154160.db2.gz WGTUAILSXLHKLR-UHFFFAOYSA-N 0 3 289.350 3.214 20 70 CGIDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC1(C)C ZINC000160943501 372290752 /nfs/dbraw/zinc/29/07/52/372290752.db2.gz GALRRTOZNNRSQP-ZDUSSCGKSA-N 0 3 260.381 3.041 20 70 CGIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000160521720 372254567 /nfs/dbraw/zinc/25/45/67/372254567.db2.gz LIDVXGIAERZHPC-KGLIPLIRSA-N 0 3 294.443 3.159 20 70 CGIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NCCc1cccs1 ZINC000160585987 372261253 /nfs/dbraw/zinc/26/12/53/372261253.db2.gz DSSMAPSGNWQYAM-KGLIPLIRSA-N 0 3 296.480 3.163 20 70 CGIDHN C[C@@H](NCC(C)(C)O)c1cc(Cl)ccc1OC(F)F ZINC000160639177 372265194 /nfs/dbraw/zinc/26/51/94/372265194.db2.gz UDMVBRMUXGMREW-MRVPVSSYSA-N 0 3 293.741 3.363 20 70 CGIDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccccn2)C12CCC2 ZINC000160832777 372278963 /nfs/dbraw/zinc/27/89/63/372278963.db2.gz UWJVLICHGSEJOZ-VHDGCEQUSA-N 0 3 260.381 3.080 20 70 CGIDHN Cc1cc(C)cc(OCCN[C@H](C)c2cnc(C)nc2C)c1 ZINC000161244695 372313160 /nfs/dbraw/zinc/31/31/60/372313160.db2.gz YZGBCRNIEQUFAD-CQSZACIVSA-N 0 3 299.418 3.440 20 70 CGIDHN Cc1ccc(CN[C@@H](C)CSC(C)(C)C)cn1 ZINC000161291549 372314524 /nfs/dbraw/zinc/31/45/24/372314524.db2.gz IYKORIVSQFIEDN-LBPRGKRZSA-N 0 3 252.427 3.400 20 70 CGIDHN CC[C@@H](CO)N[C@@H](CC)c1cccc(Cl)c1F ZINC000161479853 372327844 /nfs/dbraw/zinc/32/78/44/372327844.db2.gz VNQCNNNUMDJNMV-CABZTGNLSA-N 0 3 259.752 3.291 20 70 CGIDHN COC(=O)c1ccccc1CN1CCC[C@H](C)[C@@H]1C ZINC000217611141 376176023 /nfs/dbraw/zinc/17/60/23/376176023.db2.gz NYYGHBMGIISFCN-STQMWFEESA-N 0 3 261.365 3.094 20 70 CGIDHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000217951524 392995825 /nfs/dbraw/zinc/99/58/25/392995825.db2.gz HQMQUNBVDHUSKB-AFAVFJNCSA-N 0 3 290.407 3.253 20 70 CGIDHN COc1cccc(Cl)c1CNC1C[C@H](C)O[C@@H](C)C1 ZINC000218146091 287628476 /nfs/dbraw/zinc/62/84/76/287628476.db2.gz LVHPOPCOFRUBAK-QWRGUYRKSA-N 0 3 283.799 3.394 20 70 CGIDHN Clc1ccc(CCNCc2cn3ccccc3n2)s1 ZINC000218242033 270085497 /nfs/dbraw/zinc/08/54/97/270085497.db2.gz YWKPAMSCCUZPBJ-UHFFFAOYSA-N 0 3 291.807 3.382 20 70 CGIDHN CC(C)n1cc([C@H](C)N[C@@H]2CCCSC2)cn1 ZINC000159640342 321838045 /nfs/dbraw/zinc/83/80/45/321838045.db2.gz DUUCOPYVURJWQW-WCQYABFASA-N 0 3 253.415 3.010 20 70 CGIDHN COc1cc2c(cc1CNC1(C)CCC1)O[C@@H](C)C2 ZINC000159928005 321843801 /nfs/dbraw/zinc/84/38/01/321843801.db2.gz YMJJQCQGSDBXQN-NSHDSACASA-N 0 3 261.365 3.051 20 70 CGIDHN C[C@H](NCc1ccc(CN(C)C)cc1)c1cncc(F)c1 ZINC000160886661 525438195 /nfs/dbraw/zinc/43/81/95/525438195.db2.gz PVBCJWDOPIDPOT-ZDUSSCGKSA-N 0 3 287.382 3.133 20 70 CGIDHN c1sc(C2CC2)nc1CN1CCN(C2CCCC2)CC1 ZINC000161373822 526631114 /nfs/dbraw/zinc/63/11/14/526631114.db2.gz IJOGJFMHEIXCSA-UHFFFAOYSA-N 0 3 291.464 3.081 20 70 CGIDHN CC(C)[C@H]1CCCC[C@H]1NCc1nnc2ccccn21 ZINC000160301127 527765047 /nfs/dbraw/zinc/76/50/47/527765047.db2.gz GJICRBYSRQSLFN-ZIAGYGMSSA-N 0 3 272.396 3.034 20 70 CGIDHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc(-c2ccccc2)o1 ZINC000159506077 372150829 /nfs/dbraw/zinc/15/08/29/372150829.db2.gz RZCUJCREVFGCRX-ZFWWWQNUSA-N 0 3 298.386 3.032 20 70 CGIDHN CC(C)[C@@H](NCCC(C)(C)C)c1nnc2ccccn21 ZINC000159607928 372160878 /nfs/dbraw/zinc/16/08/78/372160878.db2.gz SVSZNWHUFGRJLE-CQSZACIVSA-N 0 3 274.412 3.452 20 70 CGIDHN C[C@H](NCCO)c1ccc(-c2ccccc2F)s1 ZINC000159680280 372167889 /nfs/dbraw/zinc/16/78/89/372167889.db2.gz YJSLPHBEYSAEMK-JTQLQIEISA-N 0 3 265.353 3.197 20 70 CGIDHN Cc1ccccc1NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159687487 372167991 /nfs/dbraw/zinc/16/79/91/372167991.db2.gz MLVDIARMKPDKKC-HOCLYGCPSA-N 0 3 272.392 3.198 20 70 CGIDHN CSC[C@H](CCO)N[C@H](C)c1cccc(Cl)c1 ZINC000160282369 372233533 /nfs/dbraw/zinc/23/35/33/372233533.db2.gz ZFVYNGHDKQWETE-MFKMUULPSA-N 0 3 273.829 3.105 20 70 CGIDHN CSC[C@@H](CCO)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000160323980 372238044 /nfs/dbraw/zinc/23/80/44/372238044.db2.gz WAJUSBUXIMPIAP-DZGCQCFKSA-N 0 3 297.464 3.238 20 70 CGIDHN COc1ccccc1CCN(C)Cc1cnc2ccccn12 ZINC000159830940 372185242 /nfs/dbraw/zinc/18/52/42/372185242.db2.gz QISFQULYNQMALC-UHFFFAOYSA-N 0 3 295.386 3.017 20 70 CGIDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000159908612 372192294 /nfs/dbraw/zinc/19/22/94/372192294.db2.gz ZHHAYXSROZTNHE-ZIAGYGMSSA-N 0 3 292.448 3.116 20 70 CGIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000160521828 372253971 /nfs/dbraw/zinc/25/39/71/372253971.db2.gz LIDVXGIAERZHPC-KBPBESRZSA-N 0 3 294.443 3.159 20 70 CGIDHN CC1(C)C[C@H](NCc2csc(C3CC3)n2)CCO1 ZINC000160543318 372255779 /nfs/dbraw/zinc/25/57/79/372255779.db2.gz NFCSGYDVVYAUAQ-LLVKDONJSA-N 0 3 266.410 3.068 20 70 CGIDHN C[C@H]1C[C@H](N(C)C(=O)C2CCC(C)(C)CC2)CCN1C ZINC000160658374 372266536 /nfs/dbraw/zinc/26/65/36/372266536.db2.gz MUSNNEZPNJRIOZ-DZGCQCFKSA-N 0 3 280.456 3.144 20 70 CGIDHN CCc1ccc([C@@H](C)NC[C@H]2CCCC[C@@H]2O)o1 ZINC000160656726 372267024 /nfs/dbraw/zinc/26/70/24/372267024.db2.gz PFAUQXISEAEVDM-BZPMIXESSA-N 0 3 251.370 3.044 20 70 CGIDHN CCn1cc([C@@H](C)N[C@@H](CCCO)c2ccccc2)cn1 ZINC000160812707 372276604 /nfs/dbraw/zinc/27/66/04/372276604.db2.gz JMHOHANQQXIYOV-PBHICJAKSA-N 0 3 287.407 3.067 20 70 CGIDHN C[C@@H](O)C(C)(C)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000161139375 372304099 /nfs/dbraw/zinc/30/40/99/372304099.db2.gz WVUUHHDAANODJG-MRVPVSSYSA-N 0 3 279.277 3.094 20 70 CGIDHN COc1cc(CN2CCC[C@@H](C)[C@@H]2C)cc(OC)c1O ZINC000217836766 376179826 /nfs/dbraw/zinc/17/98/26/376179826.db2.gz XWPQQYPVBBNLGR-NEPJUHHUSA-N 0 3 279.380 3.030 20 70 CGIDHN C[C@H](C1CC1)N(Cc1ccccc1)Cc1cncnc1 ZINC000159671016 542150813 /nfs/dbraw/zinc/15/08/13/542150813.db2.gz IQPZTCBDZDSULH-CQSZACIVSA-N 0 3 267.376 3.277 20 70 CGIDHN COc1ccccc1[C@H]1CCCN1CCOCC1CC1 ZINC000160421675 533024403 /nfs/dbraw/zinc/02/44/03/533024403.db2.gz MHHXCQNZUJXMPH-MRXNPFEDSA-N 0 3 275.392 3.259 20 70 CGIDHN COC[C@@H](N[C@H]1CCOc2c(Cl)cccc21)C1CC1 ZINC000161293419 397658590 /nfs/dbraw/zinc/65/85/90/397658590.db2.gz YIKFNCQHBLIJKL-UONOGXRCSA-N 0 3 281.783 3.178 20 70 CGIDHN CC1(O)CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000161232235 520773034 /nfs/dbraw/zinc/77/30/34/520773034.db2.gz GYGIQJGMYVFYQP-UHFFFAOYSA-N 0 3 285.387 3.065 20 70 CGIDHN Cc1ccc([C@H](C)NC[C@@](C)(O)CCC(C)C)o1 ZINC000159432024 372143066 /nfs/dbraw/zinc/14/30/66/372143066.db2.gz GESAFYBJTQDDPM-ZFWWWQNUSA-N 0 3 253.386 3.426 20 70 CGIDHN CCOC[C@H]1CCCN(CCC(=O)c2ccc(C)cc2)C1 ZINC000159677410 372167782 /nfs/dbraw/zinc/16/77/82/372167782.db2.gz VRCYKESFRIEUEO-INIZCTEOSA-N 0 3 289.419 3.316 20 70 CGIDHN Cc1cccc(COc2ccc([C@H](C)NCCO)cc2)c1 ZINC000159721600 372172134 /nfs/dbraw/zinc/17/21/34/372172134.db2.gz MAUXSYIYALTDIO-HNNXBMFYSA-N 0 3 285.387 3.217 20 70 CGIDHN Cc1cc(C)nc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000160224301 372226143 /nfs/dbraw/zinc/22/61/43/372226143.db2.gz HIZHSRSFEGFKOK-SUMWQHHRSA-N 0 3 296.418 3.026 20 70 CGIDHN Cc1cccc([C@H]2CCCN2CCC(=O)OC(C)(C)C)n1 ZINC000160256272 372231048 /nfs/dbraw/zinc/23/10/48/372231048.db2.gz SDTDUJCOBRYXOF-OAHLLOKOSA-N 0 3 290.407 3.259 20 70 CGIDHN COc1ccccc1[C@H](C)NC[C@@H]1CCC(C)(C)O1 ZINC000160326485 372239506 /nfs/dbraw/zinc/23/95/06/372239506.db2.gz TYPLSEMPQPIWCD-STQMWFEESA-N 0 3 263.381 3.303 20 70 CGIDHN CCOc1ccc([C@@H](C)N[C@@H](COC)C2CC2)cc1OC ZINC000159978648 372200258 /nfs/dbraw/zinc/20/02/58/372200258.db2.gz CFSKSFKGYVVIQV-DOMZBBRYSA-N 0 3 293.407 3.170 20 70 CGIDHN CN(C)c1ccncc1CN[C@H]1CCCc2sccc21 ZINC000160993815 372293152 /nfs/dbraw/zinc/29/31/52/372293152.db2.gz MOIBMSTVEDDBGQ-AWEZNQCLSA-N 0 3 287.432 3.376 20 70 CGIDHN CC1(C)C[C@@H](NCc2c(Cl)nc3ccccn32)CCO1 ZINC000160432634 372246258 /nfs/dbraw/zinc/24/62/58/372246258.db2.gz LUACBMQTYBMZEW-NSHDSACASA-N 0 3 293.798 3.035 20 70 CGIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NCc1cccs1 ZINC000160546532 372255911 /nfs/dbraw/zinc/25/59/11/372255911.db2.gz GONRVGPANQWDLT-OLZOCXBDSA-N 0 3 282.453 3.121 20 70 CGIDHN c1c(CN2CC[C@@H]3CCCC[C@@H]32)nc2ccccn12 ZINC000160562914 372258115 /nfs/dbraw/zinc/25/81/15/372258115.db2.gz RAJPARREUQCOGB-ZFWWWQNUSA-N 0 3 255.365 3.099 20 70 CGIDHN CC1(C)CCC[C@@H](CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000161292569 372314368 /nfs/dbraw/zinc/31/43/68/372314368.db2.gz SOLLTVOIBUCBGQ-AWEZNQCLSA-N 0 3 292.467 3.336 20 70 CGIDHN CC[C@@H](NCCn1ccnc1)c1cccc(Cl)c1F ZINC000161495920 372329116 /nfs/dbraw/zinc/32/91/16/372329116.db2.gz UQHUZGACLDEPLE-CYBMUJFWSA-N 0 3 281.762 3.417 20 70 CGIDHN CCCn1c(CNC[C@@](C)(O)CCC)nc2ccccc21 ZINC000217805306 376179074 /nfs/dbraw/zinc/17/90/74/376179074.db2.gz LIRNKJXDFIYWBP-KRWDZBQOSA-N 0 3 289.423 3.087 20 70 CGIDHN C[C@@H]1CCC[C@H](CNCc2nc3ccccc3n2C)C1 ZINC000218133827 376184857 /nfs/dbraw/zinc/18/48/57/376184857.db2.gz RYJVBHJIKYGBKJ-KGLIPLIRSA-N 0 3 271.408 3.489 20 70 CGIDHN C[C@H](N[C@H]1CCCc2cc(F)ccc21)C(=O)NC(C)(C)C ZINC000159539825 392581113 /nfs/dbraw/zinc/58/11/13/392581113.db2.gz RGAKDKWHGVPGOX-NHYWBVRUSA-N 0 3 292.398 3.096 20 70 CGIDHN C[C@@H](CNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)N(C)C1CC1 ZINC000216730026 392992510 /nfs/dbraw/zinc/99/25/10/392992510.db2.gz RDJFICVOSDVNRJ-ILXRZTDVSA-N 0 3 294.483 3.438 20 70 CGIDHN C[C@@H](O)CN(C)[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000159385338 278393750 /nfs/dbraw/zinc/39/37/50/278393750.db2.gz WHVGRMSKNCMNNB-AMIZOPFISA-N 0 3 274.191 3.293 20 70 CGIDHN CC(C)C(=O)NCCCN[C@@H](C)c1ccccc1Cl ZINC000159978775 321844631 /nfs/dbraw/zinc/84/46/31/321844631.db2.gz QDHRDGUOJCDVBF-LBPRGKRZSA-N 0 3 282.815 3.153 20 70 CGIDHN Cc1cccc(C)c1CNC[C@H](c1ccco1)N(C)C ZINC000160411678 524262987 /nfs/dbraw/zinc/26/29/87/524262987.db2.gz MEFLXBBDWDEDBZ-MRXNPFEDSA-N 0 3 272.392 3.289 20 70 CGIDHN COc1cccc(CCCN2CCS[C@H](C)C2)c1 ZINC000160582147 525886336 /nfs/dbraw/zinc/88/63/36/525886336.db2.gz XBKUHODREKOKLT-CYBMUJFWSA-N 0 3 265.422 3.065 20 70 CGIDHN CC[C@H](NCCOC[C@H]1CCCO1)c1ccc(F)cc1F ZINC000160931338 346173627 /nfs/dbraw/zinc/17/36/27/346173627.db2.gz LOFGHUJZBDEBGO-CJNGLKHVSA-N 0 3 299.361 3.201 20 70 CGIDHN CCc1ccc([C@H](C)NC[C@@](C)(O)c2ccsc2)o1 ZINC000160137056 188456893 /nfs/dbraw/zinc/45/68/93/188456893.db2.gz KDJNLKJCEMDYQD-XHDPSFHLSA-N 0 3 279.405 3.462 20 70 CGIDHN CCCCO[C@H]1C[C@H](N[C@@H](C)c2cnccn2)C1(C)C ZINC000159779601 372180300 /nfs/dbraw/zinc/18/03/00/372180300.db2.gz VGDHVDUZIMSQFN-QEJZJMRPSA-N 0 3 277.412 3.111 20 70 CGIDHN c1ccc2c(c1)OCCC[C@@H]2N[C@@H]1CCCSC1 ZINC000159608714 372161181 /nfs/dbraw/zinc/16/11/81/372161181.db2.gz ZTPLCCXOAMJPNP-OCCSQVGLSA-N 0 3 263.406 3.386 20 70 CGIDHN CN(Cc1ccccc1C(F)(F)F)C[C@@H]1CCC[C@@H]1O ZINC000159751607 372175263 /nfs/dbraw/zinc/17/52/63/372175263.db2.gz YABIXSGNFMXBEU-JSGCOSHPSA-N 0 3 287.325 3.298 20 70 CGIDHN CC[C@@H](N[C@@H](CCO)CSC)c1ccc(F)cc1F ZINC000160287887 372234297 /nfs/dbraw/zinc/23/42/97/372234297.db2.gz KQWMXDZEFGJFAN-SMDDNHRTSA-N 0 3 289.391 3.120 20 70 CGIDHN CC[C@H](NC[C@@H]1CCOC1)c1ccc(F)cc1F ZINC000160819827 372278809 /nfs/dbraw/zinc/27/88/09/372278809.db2.gz ALSMMTLMQIURQA-HZMBPMFUSA-N 0 3 255.308 3.042 20 70 CGIDHN COC[C@@H](C)NCc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC000160836760 372281431 /nfs/dbraw/zinc/28/14/31/372281431.db2.gz XNXDBTRXWYSOFJ-KGLIPLIRSA-N 0 3 280.412 3.020 20 70 CGIDHN CC[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccccc1 ZINC000161414665 372321186 /nfs/dbraw/zinc/32/11/86/372321186.db2.gz HZSPUWKXQZLRID-GDBMZVCRSA-N 0 3 295.448 3.019 20 70 CGIDHN CCc1oc2ccccc2c1CNC[C@](C)(O)CSC ZINC000217861880 376181711 /nfs/dbraw/zinc/18/17/11/376181711.db2.gz AVPBZCVNHSSXMX-INIZCTEOSA-N 0 3 293.432 3.199 20 70 CGIDHN CN(C)[C@H](CNCc1cccc2cc[nH]c21)c1ccco1 ZINC000218067653 376183380 /nfs/dbraw/zinc/18/33/80/376183380.db2.gz RAHHXUHHAAZKBW-OAHLLOKOSA-N 0 3 283.375 3.153 20 70 CGIDHN Cc1c([C@@H](C)NCc2cccc3cc[nH]c32)cnn1C ZINC000218105129 376184544 /nfs/dbraw/zinc/18/45/44/376184544.db2.gz LCOJIKICDCLQSI-LLVKDONJSA-N 0 3 268.364 3.061 20 70 CGIDHN C[C@@H](NC[C@@H]1CCCC[C@@H]1O)c1cc(F)c(F)c(F)c1 ZINC000160533613 278350639 /nfs/dbraw/zinc/35/06/39/278350639.db2.gz VSDJBDBUBOBFBQ-BFVZDQMLSA-N 0 3 287.325 3.306 20 70 CGIDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)C1=CCCC1 ZINC000159664916 321838429 /nfs/dbraw/zinc/83/84/29/321838429.db2.gz IZGWYVPUVCMTQV-QGZVFWFLSA-N 0 3 284.403 3.050 20 70 CGIDHN Cc1ccc(CNC(=O)c2ccc(CN(C)C)cc2)c(C)c1 ZINC000159856563 321841740 /nfs/dbraw/zinc/84/17/40/321841740.db2.gz PRDRFDIQTDRWDC-UHFFFAOYSA-N 0 3 296.414 3.295 20 70 CGIDHN CCCC1(CN[C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000160771929 321857522 /nfs/dbraw/zinc/85/75/22/321857522.db2.gz LDJFGOPLTVXLOI-MRXNPFEDSA-N 0 3 286.419 3.176 20 70 CGIDHN CCSCC[C@H](C)N(C)Cc1cnc2ccccn12 ZINC000160904419 521715070 /nfs/dbraw/zinc/71/50/70/521715070.db2.gz NZHPZCRMJWZACM-ZDUSSCGKSA-N 0 3 277.437 3.298 20 70 CGIDHN CCS[C@@H]1CCCCN(Cc2cnc3ccccn23)C1 ZINC000160363853 521723288 /nfs/dbraw/zinc/72/32/88/521723288.db2.gz LRKBWBRAFWGWAK-OAHLLOKOSA-N 0 3 289.448 3.442 20 70 CGIDHN CC[C@H](NCC(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000160836407 522567550 /nfs/dbraw/zinc/56/75/50/522567550.db2.gz DUCSADKUIQFMTD-INIZCTEOSA-N 0 3 292.398 3.315 20 70 CGIDHN Cc1cc(C)cc(CN2CCN(c3ccncc3)CC2)c1 ZINC000161351854 572883901 /nfs/dbraw/zinc/88/39/01/572883901.db2.gz IHWFLOUXODULDU-UHFFFAOYSA-N 0 3 281.403 3.021 20 70 CGIDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(C(C)C)cc1)CC2 ZINC000160302322 282118607 /nfs/dbraw/zinc/11/86/07/282118607.db2.gz MGQWKLCXWUSOBZ-DYVFJYSZSA-N 0 3 298.434 3.376 20 70 CGIDHN COC(C)(C)CNCc1ccc(F)c(C(F)(F)F)c1 ZINC000160154466 232244294 /nfs/dbraw/zinc/24/42/94/232244294.db2.gz XEYYVQMBBGZIMX-UHFFFAOYSA-N 0 3 279.277 3.359 20 70 CGIDHN Cc1cccc([C@@H](C)C(=O)N[C@H](C)CN2CCCCC2)c1 ZINC000159754922 346168572 /nfs/dbraw/zinc/16/85/72/346168572.db2.gz ZTKPQZHOAUBXHY-HZPDHXFCSA-N 0 3 288.435 3.089 20 70 CGIDHN CCCCN(C(=O)[C@H](C)N)[C@@H](CC)c1ccccc1 ZINC000159781143 372179969 /nfs/dbraw/zinc/17/99/69/372179969.db2.gz NOOFOWZBYWXUKV-ZFWWWQNUSA-N 0 3 262.397 3.114 20 70 CGIDHN c1ccc2c(c1)OCCC[C@@H]2N[C@H]1CCCSC1 ZINC000159608967 372161024 /nfs/dbraw/zinc/16/10/24/372161024.db2.gz ZTPLCCXOAMJPNP-JSGCOSHPSA-N 0 3 263.406 3.386 20 70 CGIDHN CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000160101280 372211835 /nfs/dbraw/zinc/21/18/35/372211835.db2.gz OKRMOKXCFNFMPZ-NVXWUHKLSA-N 0 3 288.435 3.447 20 70 CGIDHN CC(=O)Nc1cccc([C@H](C)NC[C@H]2CCC(C)(C)O2)c1 ZINC000160223681 372225824 /nfs/dbraw/zinc/22/58/24/372225824.db2.gz LTSNVTMEUBMCEH-BLLLJJGKSA-N 0 3 290.407 3.253 20 70 CGIDHN CC[C@@H]1CCCCN1CCNC(=O)[C@@H](C)c1ccsc1 ZINC000160247836 372230037 /nfs/dbraw/zinc/23/00/37/372230037.db2.gz VDGSJKUARUSACA-DZGCQCFKSA-N 0 3 294.464 3.232 20 70 CGIDHN CC[C@@H](N[C@H](CCO)CSC)c1ccc(F)cc1F ZINC000160288132 372233858 /nfs/dbraw/zinc/23/38/58/372233858.db2.gz KQWMXDZEFGJFAN-BXUZGUMPSA-N 0 3 289.391 3.120 20 70 CGIDHN CCC[C@@H](N)C(=O)N[C@H](c1ccccc1Cl)C(C)C ZINC000160830381 372279839 /nfs/dbraw/zinc/27/98/39/372279839.db2.gz JVBCHCFQKXSEEA-KGLIPLIRSA-N 0 3 282.815 3.281 20 70 CGIDHN CCN1CCCC[C@@H]1CN[C@@H](C)c1cccnc1Cl ZINC000161173316 372307441 /nfs/dbraw/zinc/30/74/41/372307441.db2.gz UXOXPQQGPWYJJZ-QWHCGFSZSA-N 0 3 281.831 3.260 20 70 CGIDHN Cc1ccc(NC(=O)[C@@H](C)N)cc1OCC1CCCCC1 ZINC000161379152 372319264 /nfs/dbraw/zinc/31/92/64/372319264.db2.gz UOVKXZICMOYLKN-CYBMUJFWSA-N 0 3 290.407 3.240 20 70 CGIDHN CN(C(=O)CN1CC[C@@H]2CCCC[C@@H]21)C1CCCCC1 ZINC000160552409 542154882 /nfs/dbraw/zinc/15/48/82/542154882.db2.gz JIAJKUALLGYQFO-HOCLYGCPSA-N 0 3 278.440 3.042 20 70 CGIDHN CN(Cc1ccc(Cl)cc1)C[C@@H](O)Cc1ccccc1 ZINC000218686478 262178615 /nfs/dbraw/zinc/17/86/15/262178615.db2.gz FROUJDKLAZRKEU-KRWDZBQOSA-N 0 3 289.806 3.375 20 70 CGIDHN CC(C)(C)C[C@@H](O)CNCc1cccc2c1OC(C)(C)C2 ZINC000217811131 270085523 /nfs/dbraw/zinc/08/55/23/270085523.db2.gz IOPSQBFPRJIRGA-OAHLLOKOSA-N 0 3 291.435 3.287 20 70 CGIDHN CCC(CC)N(CCOC)Cc1c(C)nc2ccccn21 ZINC000159707031 276210546 /nfs/dbraw/zinc/21/05/46/276210546.db2.gz WFDYRQASPAIMCY-UHFFFAOYSA-N 0 3 289.423 3.280 20 70 CGIDHN O=c1ccc2c([nH]1)CCC[C@@H]2N[C@@H]1CCc2ccccc21 ZINC000160961619 280395083 /nfs/dbraw/zinc/39/50/83/280395083.db2.gz LCWOUQUWYNHDRP-DOTOQJQBSA-N 0 3 280.371 3.029 20 70 CGIDHN C/C(=C/c1ccc(Cl)cc1)CNCc1ccnn1C ZINC000159974124 321844215 /nfs/dbraw/zinc/84/42/15/321844215.db2.gz BPCMCHFYCVKDPH-XFXZXTDPSA-N 0 3 275.783 3.267 20 70 CGIDHN Cc1nccn1CCCCN(C)[C@@H](C)c1ccco1 ZINC000161502105 527393744 /nfs/dbraw/zinc/39/37/44/527393744.db2.gz NEJWZGIWLJCJCI-ZDUSSCGKSA-N 0 3 261.369 3.258 20 70 CGIDHN C[C@@H](C(=O)N(CCN(C)C)C1CCCC1)c1cccs1 ZINC000160059541 346169808 /nfs/dbraw/zinc/16/98/08/346169808.db2.gz AIZHMBZFYQPTIH-CYBMUJFWSA-N 0 3 294.464 3.184 20 70 CGIDHN CC(C)COC[C@@H](O)CNC(C)(C)c1ccc(Cl)cc1 ZINC000159590983 372158601 /nfs/dbraw/zinc/15/86/01/372158601.db2.gz VORMEBQPLPVUDS-HNNXBMFYSA-N 0 3 299.842 3.198 20 70 CGIDHN C[C@@H](N[C@@H](C)C1CC1)c1ccc(-n2cncn2)cc1Cl ZINC000160132264 372216012 /nfs/dbraw/zinc/21/60/12/372216012.db2.gz UPPFRQXZZUFBFH-WDEREUQCSA-N 0 3 290.798 3.370 20 70 CGIDHN CC[C@H]1CCCCN1CCNC(=O)[C@@H](C)c1ccsc1 ZINC000160247964 372230013 /nfs/dbraw/zinc/23/00/13/372230013.db2.gz VDGSJKUARUSACA-ZFWWWQNUSA-N 0 3 294.464 3.232 20 70 CGIDHN COc1ccccc1[C@H](C)NC[C@H]1CCC(C)(C)O1 ZINC000160326567 372239301 /nfs/dbraw/zinc/23/93/01/372239301.db2.gz TYPLSEMPQPIWCD-QWHCGFSZSA-N 0 3 263.381 3.303 20 70 CGIDHN C[C@H](CN[C@@H](C)c1cncc(F)c1)N1CCc2ccccc21 ZINC000159931027 372193983 /nfs/dbraw/zinc/19/39/83/372193983.db2.gz VWKAXVVKHJLULF-KGLIPLIRSA-N 0 3 299.393 3.323 20 70 CGIDHN COc1ccc2c(c1)[C@H](N[C@H](CCO)c1ccccc1)CC2 ZINC000160987071 372292827 /nfs/dbraw/zinc/29/28/27/372292827.db2.gz QMTQHDGIGLDLHI-RTBURBONSA-N 0 3 297.398 3.396 20 70 CGIDHN CCCN(Cc1ccc(CO)o1)Cc1ccccc1 ZINC000160478303 372252018 /nfs/dbraw/zinc/25/20/18/372252018.db2.gz FWNJYSIOMVKPHI-UHFFFAOYSA-N 0 3 259.349 3.184 20 70 CGIDHN C[C@H](O)C(C)(C)NCc1nc(-c2ccccc2)cs1 ZINC000161147126 372305657 /nfs/dbraw/zinc/30/56/57/372305657.db2.gz POHISXYLXXCMRU-NSHDSACASA-N 0 3 276.405 3.059 20 70 CGIDHN CCN1CCCC[C@H]1CN[C@@H](C)c1ccccc1OC ZINC000161175314 372307402 /nfs/dbraw/zinc/30/74/02/372307402.db2.gz DZCYQBASBWAJEX-GJZGRUSLSA-N 0 3 276.424 3.220 20 70 CGIDHN CC(C)C1CCN(C(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000161268804 372314119 /nfs/dbraw/zinc/31/41/19/372314119.db2.gz FWMDAZDAAJMDJR-YOEHRIQHSA-N 0 3 288.435 3.217 20 70 CGIDHN C[C@@H](NC[C@@H](CO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000161504036 372328776 /nfs/dbraw/zinc/32/87/76/372328776.db2.gz CDOAYERSMHJHGD-DOMZBBRYSA-N 0 3 291.341 3.392 20 70 CGIDHN C[C@@H]1CCC[C@@H](CNCc2cn3ccccc3n2)C1 ZINC000218237361 376186488 /nfs/dbraw/zinc/18/64/88/376186488.db2.gz VOCDKRXHKMFZDT-ZIAGYGMSSA-N 0 3 257.381 3.250 20 70 CGIDHN CN(C)c1ccc(CN[C@@H](c2ccccc2)C2CC2)cn1 ZINC000159660413 542150913 /nfs/dbraw/zinc/15/09/13/542150913.db2.gz IRPVCTULUBUSGJ-SFHVURJKSA-N 0 3 281.403 3.389 20 70 CGIDHN CCCn1nccc1CNCCc1ccc(F)cc1C ZINC000160178772 542152403 /nfs/dbraw/zinc/15/24/03/542152403.db2.gz HJALUHVHROHHHL-UHFFFAOYSA-N 0 3 275.371 3.073 20 70 CGIDHN Clc1cc(NCCN2CCCCCC2)nc(C2CC2)n1 ZINC000217968320 392995787 /nfs/dbraw/zinc/99/57/87/392995787.db2.gz DQSSEDPCJZCQKV-UHFFFAOYSA-N 0 3 294.830 3.295 20 70 CGIDHN CC(C)NC(=O)CN[C@H]1CCCCc2ccc(Cl)cc21 ZINC000160959658 273539291 /nfs/dbraw/zinc/53/92/91/273539291.db2.gz MNQGCCAWISKCGO-HNNXBMFYSA-N 0 3 294.826 3.222 20 70 CGIDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1=CCCC1 ZINC000159665064 321838404 /nfs/dbraw/zinc/83/84/04/321838404.db2.gz IZGWYVPUVCMTQV-KRWDZBQOSA-N 0 3 284.403 3.050 20 70 CGIDHN CCN(CCCCCO)Cc1ccc(Cl)s1 ZINC000160961042 521001515 /nfs/dbraw/zinc/00/15/15/521001515.db2.gz UVNNDTJOMHQLGB-UHFFFAOYSA-N 0 3 261.818 3.386 20 70 CGIDHN CCCN(CCO)Cc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000161202465 572883362 /nfs/dbraw/zinc/88/33/62/572883362.db2.gz CVECJWWLDXNOQZ-AWEZNQCLSA-N 0 3 295.423 3.077 20 70 CGIDHN CCOC(=O)CCCN(C)[C@H](C)c1ccc(F)cc1 ZINC000160958126 346173661 /nfs/dbraw/zinc/17/36/61/346173661.db2.gz WKWLMSJMJIVEEM-GFCCVEGCSA-N 0 3 267.344 3.162 20 70 CGIDHN Cc1cccc([C@H]2CCCN2CCN2CCCCC2)n1 ZINC000159780815 372180150 /nfs/dbraw/zinc/18/01/50/372180150.db2.gz ZXEFXRXHBXVUKJ-QGZVFWFLSA-N 0 3 273.424 3.013 20 70 CGIDHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(-c2ccccc2)o1 ZINC000159506341 372150543 /nfs/dbraw/zinc/15/05/43/372150543.db2.gz RZCUJCREVFGCRX-DZGCQCFKSA-N 0 3 298.386 3.032 20 70 CGIDHN CC[C@@H](NCC1(CO)CCCC1)c1ccccc1OC ZINC000160072593 372208954 /nfs/dbraw/zinc/20/89/54/372208954.db2.gz FDDKCEXCWAXVGS-OAHLLOKOSA-N 0 3 277.408 3.289 20 70 CGIDHN CSC[C@@H]1CCCN1CCC(=O)c1ccc(C)cc1 ZINC000160305296 372236132 /nfs/dbraw/zinc/23/61/32/372236132.db2.gz FVFNKPBYDYYJQN-HNNXBMFYSA-N 0 3 277.433 3.395 20 70 CGIDHN C[C@@H](CN[C@@H](C)c1cncc(F)c1)N1CCc2ccccc21 ZINC000159930878 372194463 /nfs/dbraw/zinc/19/44/63/372194463.db2.gz VWKAXVVKHJLULF-KBPBESRZSA-N 0 3 299.393 3.323 20 70 CGIDHN COc1ccc([C@@H](C)N[C@@H]2CCOC(C)(C)C2)c(F)c1 ZINC000159952476 372198792 /nfs/dbraw/zinc/19/87/92/372198792.db2.gz LBGFUWGIIPWTGO-VXGBXAGGSA-N 0 3 281.371 3.443 20 70 CGIDHN CC[C@@](C)(O)CN(C)Cc1ccc(SC)c(OC)c1 ZINC000160734735 372271288 /nfs/dbraw/zinc/27/12/88/372271288.db2.gz XPNSHCLLCINNRR-OAHLLOKOSA-N 0 3 283.437 3.010 20 70 CGIDHN CCCn1nccc1CNCCCc1ccccc1 ZINC000159976320 542151376 /nfs/dbraw/zinc/15/13/76/542151376.db2.gz KVZPCPXPLWWPTA-UHFFFAOYSA-N 0 3 257.381 3.016 20 70 CGIDHN C[C@H](O)CN(C)[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000159385239 392579664 /nfs/dbraw/zinc/57/96/64/392579664.db2.gz WHVGRMSKNCMNNB-ISVAXAHUSA-N 0 3 274.191 3.293 20 70 CGIDHN O[C@@H]1CCC[C@@H]1[C@@H]1CCCCN1Cc1cc(F)cc(F)c1 ZINC000218731328 270085444 /nfs/dbraw/zinc/08/54/44/270085444.db2.gz MHBFZEZINYUMQO-IXDOHACOSA-N 0 3 295.373 3.480 20 70 CGIDHN CCCc1ccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160421752 276055747 /nfs/dbraw/zinc/05/57/47/276055747.db2.gz HLWCDFBZXVHGLH-CXAGYDPISA-N 0 3 298.434 3.205 20 70 CGIDHN CCc1nnc(C[NH2+][C@@H](CC)C(C)(C)c2ccccc2)[n-]1 ZINC000160625463 522347038 /nfs/dbraw/zinc/34/70/38/522347038.db2.gz YUCFMCCFPHYRLW-AWEZNQCLSA-N 0 3 286.423 3.213 20 70 CGIDHN CCc1nnc(CN[C@@H](CC)C(C)(C)c2ccccc2)[nH]1 ZINC000160625463 522347061 /nfs/dbraw/zinc/34/70/61/522347061.db2.gz YUCFMCCFPHYRLW-AWEZNQCLSA-N 0 3 286.423 3.213 20 70 CGIDHN CC[C@@H](NCC(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000160836533 522817012 /nfs/dbraw/zinc/81/70/12/522817012.db2.gz DUCSADKUIQFMTD-MRXNPFEDSA-N 0 3 292.398 3.315 20 70 CGIDHN Cc1n[nH]cc1CN1CCC(c2nc3ccccc3o2)CC1 ZINC000161070598 526546789 /nfs/dbraw/zinc/54/67/89/526546789.db2.gz RCVDVLJPBOREGR-UHFFFAOYSA-N 0 3 296.374 3.239 20 70 CGIDHN Cc1ncc(CN(CCc2nccs2)C(C)C)s1 ZINC000159886515 232241106 /nfs/dbraw/zinc/24/11/06/232241106.db2.gz FIKVLWGHACJYKK-UHFFFAOYSA-N 0 3 281.450 3.361 20 70 CGIDHN C[C@@H](C(=O)N(CCN(C)C)C1CCCC1)c1ccsc1 ZINC000160059971 346170102 /nfs/dbraw/zinc/17/01/02/346170102.db2.gz LKOKZKLELIXKED-CYBMUJFWSA-N 0 3 294.464 3.184 20 70 CGIDHN Fc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000159514389 188429165 /nfs/dbraw/zinc/42/91/65/188429165.db2.gz JJMIWIWAGURYAO-DFBGVHRSSA-N 0 3 279.330 3.012 20 70 CGIDHN CN(C)[C@H](CNCc1cc(F)cc(F)c1)c1cccs1 ZINC000159593128 372159559 /nfs/dbraw/zinc/15/95/59/372159559.db2.gz KPNUYFINRUUDRK-CQSZACIVSA-N 0 3 296.386 3.419 20 70 CGIDHN Clc1ccc(CN(CCn2ccnc2)C2CC2)cc1 ZINC000159760139 372176033 /nfs/dbraw/zinc/17/60/33/372176033.db2.gz LEYZAPOCYVQAAM-UHFFFAOYSA-N 0 3 275.783 3.201 20 70 CGIDHN COc1ccc(C)cc1[C@@H](C)NCC1(CO)CCCC1 ZINC000160068294 372208007 /nfs/dbraw/zinc/20/80/07/372208007.db2.gz PXLVOOQLMWDPNZ-CQSZACIVSA-N 0 3 277.408 3.207 20 70 CGIDHN CCCc1ccc([C@@H](C)N[C@@H](CCO)CSC)cc1 ZINC000160251907 372229321 /nfs/dbraw/zinc/22/93/21/372229321.db2.gz KZJXDDJRNJNGKW-CJNGLKHVSA-N 0 3 281.465 3.404 20 70 CGIDHN C[C@@H](CN[C@@H](C)c1ccco1)N1CCc2ccccc2C1 ZINC000159819930 372183350 /nfs/dbraw/zinc/18/33/50/372183350.db2.gz HOOMTGWQLFIGGG-GJZGRUSLSA-N 0 3 284.403 3.377 20 70 CGIDHN Cc1ccc(CNC(=O)c2ccc(CN(C)C)cc2)s1 ZINC000160380239 372243148 /nfs/dbraw/zinc/24/31/48/372243148.db2.gz MOYGZRWXWMHFMV-UHFFFAOYSA-N 0 3 288.416 3.048 20 70 CGIDHN CC[C@H](C)CN(CC)Cc1nc(N)c2ccccc2n1 ZINC000160567830 372259428 /nfs/dbraw/zinc/25/94/28/372259428.db2.gz TXPSMUYHGOWCHJ-LBPRGKRZSA-N 0 3 272.396 3.080 20 70 CGIDHN C[C@H](NCC(C)(C)O)c1cc(Cl)ccc1OC(F)F ZINC000160639072 372265116 /nfs/dbraw/zinc/26/51/16/372265116.db2.gz UDMVBRMUXGMREW-QMMMGPOBSA-N 0 3 293.741 3.363 20 70 CGIDHN COC(CN1CCC[C@H]1c1ccc(C)c(C)c1)OC ZINC000160697442 372269955 /nfs/dbraw/zinc/26/99/55/372269955.db2.gz JJHIULHVUKWYPE-HNNXBMFYSA-N 0 3 263.381 3.059 20 70 CGIDHN c1nc2ccccn2c1CN(C[C@H]1CCCO1)C1CCCC1 ZINC000160793396 372275489 /nfs/dbraw/zinc/27/54/89/372275489.db2.gz RHUJZFDYZPYWGR-QGZVFWFLSA-N 0 3 299.418 3.258 20 70 CGIDHN CCO[C@H]1C[C@@H](N[C@H](CC)c2cnn(C)c2)C1(CC)CC ZINC000161291701 372314806 /nfs/dbraw/zinc/31/48/06/372314806.db2.gz RUYHKXVJQVEZOE-OAGGEKHMSA-N 0 3 293.455 3.445 20 70 CGIDHN CCO[C@H]1C[C@H](N[C@@H](C)c2cnccn2)C1(CC)CC ZINC000161300815 372315914 /nfs/dbraw/zinc/31/59/14/372315914.db2.gz OYONRWVISDMMML-QEJZJMRPSA-N 0 3 277.412 3.111 20 70 CGIDHN CC[C@@H](NCCNC(=O)C1CC1)c1cccc(Cl)c1F ZINC000161494775 372328763 /nfs/dbraw/zinc/32/87/63/372328763.db2.gz DIWFJEQTKYGVGB-CYBMUJFWSA-N 0 3 298.789 3.046 20 70 CGIDHN CC[C@H](NCc1ccc(C)nc1)c1ccc2c(c1)OCCO2 ZINC000161280027 542157793 /nfs/dbraw/zinc/15/77/93/542157793.db2.gz NRLMZPAJHWRUPC-INIZCTEOSA-N 0 3 298.386 3.402 20 70 CGIDHN CN(C)C[C@@H]1CCCCN1C(=O)C1CCC(C)(C)CC1 ZINC000159418548 321834044 /nfs/dbraw/zinc/83/40/44/321834044.db2.gz NVCNCBRGFOSVKT-HNNXBMFYSA-N 0 3 280.456 3.146 20 70 CGIDHN c1nc2ccccn2c1CN1CCC2(CCCC2)CC1 ZINC000160553115 526609962 /nfs/dbraw/zinc/60/99/62/526609962.db2.gz ARJSFYIBCWMXHZ-UHFFFAOYSA-N 0 3 269.392 3.491 20 70 CGIDHN CC(C)(C)c1nc(CN[C@@H]2CCOC(C)(C)C2)cs1 ZINC000159779125 526864413 /nfs/dbraw/zinc/86/44/13/526864413.db2.gz CJFZKPIMYUUQIG-LLVKDONJSA-N 0 3 282.453 3.488 20 70 CGIDHN Cc1cccc(C)c1CN[C@](C)(CO)c1ccccc1 ZINC000217731489 346291737 /nfs/dbraw/zinc/29/17/37/346291737.db2.gz QVRQUAVGGTXUIA-GOSISDBHSA-N 0 3 269.388 3.301 20 70 CGIDHN CN(CCc1c(F)cccc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000159590524 372158782 /nfs/dbraw/zinc/15/87/82/372158782.db2.gz NAMGFTUIAMHPBJ-NHYWBVRUSA-N 0 3 285.790 3.114 20 70 CGIDHN CN(C)Cc1ccc(C(=O)N[C@@H]2CCCc3occc32)cc1 ZINC000159635692 372163270 /nfs/dbraw/zinc/16/32/70/372163270.db2.gz DBHDNJFJEOOLJO-MRXNPFEDSA-N 0 3 298.386 3.149 20 70 CGIDHN Cc1cccc([C@@H]2CCCN2CCN2CCCCC2)n1 ZINC000159780680 372179348 /nfs/dbraw/zinc/17/93/48/372179348.db2.gz ZXEFXRXHBXVUKJ-KRWDZBQOSA-N 0 3 273.424 3.013 20 70 CGIDHN CCOc1cccc(CNC[C@@H]2CCC(C)(C)O2)c1 ZINC000160219766 372225969 /nfs/dbraw/zinc/22/59/69/372225969.db2.gz MCHPVQLAEVMPEG-HNNXBMFYSA-N 0 3 263.381 3.133 20 70 CGIDHN Cc1cnc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)nc1C ZINC000160231064 372227566 /nfs/dbraw/zinc/22/75/66/372227566.db2.gz NUJNPPSSSDNWSE-YOEHRIQHSA-N 0 3 296.418 3.026 20 70 CGIDHN C[C@H](N[C@@H](C)c1cccnc1)c1ccc(-n2ccnn2)cc1 ZINC000159869439 372188941 /nfs/dbraw/zinc/18/89/41/372188941.db2.gz HPLJIANFRVANDR-KBPBESRZSA-N 0 3 293.374 3.074 20 70 CGIDHN CC[C@H](N)C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000161090250 372300306 /nfs/dbraw/zinc/30/03/06/372300306.db2.gz FJOUORHHJOHCBY-KRWDZBQOSA-N 0 3 298.386 3.079 20 70 CGIDHN COc1cc(C)c([C@@H](C)NCCOCC(C)C)cc1OC ZINC000160665187 372266476 /nfs/dbraw/zinc/26/64/76/372266476.db2.gz JSSGQSDSVZIATQ-CQSZACIVSA-N 0 3 295.423 3.335 20 70 CGIDHN CN(Cc1ccn(C)c1)Cc1ccc(Br)cc1 ZINC000160799005 372277429 /nfs/dbraw/zinc/27/74/29/372277429.db2.gz NLOWKMYZCIZHKI-UHFFFAOYSA-N 0 3 293.208 3.420 20 70 CGIDHN CC[C@@H](C)[C@H](N)C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000161460598 372326881 /nfs/dbraw/zinc/32/68/81/372326881.db2.gz ZARUKFIPDWAOGU-DOMZBBRYSA-N 0 3 262.397 3.146 20 70 CGIDHN Cn1ncc2c1CCC[C@H]2NCc1cccc2cc[nH]c21 ZINC000218104968 376185063 /nfs/dbraw/zinc/18/50/63/376185063.db2.gz WEADTBLHMSYGLR-OAHLLOKOSA-N 0 3 280.375 3.069 20 70 CGIDHN CCC[C@](C)(O)CN[C@@H](C)c1ccc(F)c(OC)c1 ZINC000218248622 376186394 /nfs/dbraw/zinc/18/63/94/376186394.db2.gz UTNIBJGCMXHQTE-NHYWBVRUSA-N 0 3 269.360 3.036 20 70 CGIDHN c1cc(-c2noc([C@@H]3C[C@@H]4CCCC[C@H]4N3)n2)cs1 ZINC000217956976 392995910 /nfs/dbraw/zinc/99/59/10/392995910.db2.gz AIPAKINBFHEAMN-WCQGTBRESA-N 0 3 275.377 3.391 20 70 CGIDHN C[C@@H](N[C@H]1CCOC(C)(C)C1)c1nc2ccccc2n1C ZINC000159935199 278385386 /nfs/dbraw/zinc/38/53/86/278385386.db2.gz GRMKFTXSBIVWQK-OLZOCXBDSA-N 0 3 287.407 3.182 20 70 CGIDHN CCCC(=O)Nc1cccc(CN[C@H](COC)C(C)C)c1 ZINC000159922522 321842842 /nfs/dbraw/zinc/84/28/42/321842842.db2.gz LVMZSHGXGWFGDT-MRXNPFEDSA-N 0 3 292.423 3.186 20 70 CGIDHN O[C@H](Cc1ccccc1)CN(Cc1ccc(F)cc1)C1CC1 ZINC000218760820 376189596 /nfs/dbraw/zinc/18/95/96/376189596.db2.gz LESVBULOCRFKJC-LJQANCHMSA-N 0 3 299.389 3.394 20 70 CGIDHN COCc1ccccc1CNCc1cccc2c1NCC2 ZINC000159377638 372137690 /nfs/dbraw/zinc/13/76/90/372137690.db2.gz DCKVEXRNXRWLAW-UHFFFAOYSA-N 0 3 282.387 3.091 20 70 CGIDHN Fc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(F)c1 ZINC000159616334 372160699 /nfs/dbraw/zinc/16/06/99/372160699.db2.gz GZVXXRXIBPUTRW-CFVMTHIKSA-N 0 3 279.330 3.012 20 70 CGIDHN CCc1ccc([C@@H](CNC(=O)C2=CCCC2)N(C)C)cc1 ZINC000159653144 372165149 /nfs/dbraw/zinc/16/51/49/372165149.db2.gz VTWZDDYMENGFJM-QGZVFWFLSA-N 0 3 286.419 3.078 20 70 CGIDHN Cc1cccc([C@H]2CCCN2CCc2ccccn2)n1 ZINC000159752223 372175217 /nfs/dbraw/zinc/17/52/17/372175217.db2.gz RDRUIIGUJSAPPH-QGZVFWFLSA-N 0 3 267.376 3.165 20 70 CGIDHN C[C@H](CN[C@H](C)c1ccco1)N1CCc2ccccc2C1 ZINC000159820325 372182602 /nfs/dbraw/zinc/18/26/02/372182602.db2.gz HOOMTGWQLFIGGG-HUUCEWRRSA-N 0 3 284.403 3.377 20 70 CGIDHN CCc1ccc([C@@H](C)NC[C@](C)(O)c2ccsc2)o1 ZINC000160136679 372216771 /nfs/dbraw/zinc/21/67/71/372216771.db2.gz KDJNLKJCEMDYQD-ABAIWWIYSA-N 0 3 279.405 3.462 20 70 CGIDHN Cc1ccc(C(=O)CCN2CCC3(CCC3)C2)cc1 ZINC000160149613 372218015 /nfs/dbraw/zinc/21/80/15/372218015.db2.gz GBTUYSCNNKSHHQ-UHFFFAOYSA-N 0 3 257.377 3.444 20 70 CGIDHN Cc1cccc([C@@H]2CCCN2C[C@@H]2CCCCO2)n1 ZINC000159826901 372185440 /nfs/dbraw/zinc/18/54/40/372185440.db2.gz GWOKRMQJMBYQOW-HOCLYGCPSA-N 0 3 260.381 3.096 20 70 CGIDHN CC[C@@H](N[C@@H](C)CCOC)c1ccc(F)cc1F ZINC000160859443 372283718 /nfs/dbraw/zinc/28/37/18/372283718.db2.gz XUXOTXSIMCCAKD-IINYFYTJSA-N 0 3 257.324 3.431 20 70 CGIDHN CC[C@H](NCC1(C)COC1)c1ccc(F)cc1F ZINC000160915190 372287653 /nfs/dbraw/zinc/28/76/53/372287653.db2.gz SCYHUHBFXFFNNT-ZDUSSCGKSA-N 0 3 255.308 3.042 20 70 CGIDHN Cc1ccc([C@@H](C)NCCc2ccc3c(c2)OCO3)o1 ZINC000161150239 372305758 /nfs/dbraw/zinc/30/57/58/372305758.db2.gz IKPYIEKVSHITCF-GFCCVEGCSA-N 0 3 273.332 3.210 20 70 CGIDHN CCc1oc2ccccc2c1CNC[C@@](C)(O)CSC ZINC000217861820 376181562 /nfs/dbraw/zinc/18/15/62/376181562.db2.gz AVPBZCVNHSSXMX-MRXNPFEDSA-N 0 3 293.432 3.199 20 70 CGIDHN Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H](N)C(C)C ZINC000159694881 165466473 /nfs/dbraw/zinc/46/64/73/165466473.db2.gz VDQSLSZIXTUOHB-CVEARBPZSA-N 0 3 276.424 3.182 20 70 CGIDHN COc1ccc2c(c1)[C@H](N[C@H]1CCCSC1)CCCO2 ZINC000159531392 295276069 /nfs/dbraw/zinc/27/60/69/295276069.db2.gz VGDPNMCNYTXHBR-SWLSCSKDSA-N 0 3 293.432 3.394 20 70 CGIDHN c1ccc2c(c1)OCCC[C@H]2N[C@@H]1CCCSC1 ZINC000159608559 304858367 /nfs/dbraw/zinc/85/83/67/304858367.db2.gz ZTPLCCXOAMJPNP-TZMCWYRMSA-N 0 3 263.406 3.386 20 70 CGIDHN CCN1CCCC[C@H]1CN[C@@H](C)c1ccc(C)o1 ZINC000161208793 521602611 /nfs/dbraw/zinc/60/26/11/521602611.db2.gz QTNBVCQJUDQTBQ-KBPBESRZSA-N 0 3 250.386 3.113 20 70 CGIDHN CC(C)(C)[C@H](N)C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000159478727 518960256 /nfs/dbraw/zinc/96/02/56/518960256.db2.gz UPKXSLQNJQDHPS-CQSZACIVSA-N 0 3 292.427 3.159 20 70 CGIDHN COCCOCCCCNCc1ccc(Cl)cc1F ZINC000160891223 523991658 /nfs/dbraw/zinc/99/16/58/523991658.db2.gz DEQYMSDWANOMHU-UHFFFAOYSA-N 0 3 289.778 3.012 20 70 CGIDHN C[C@@H](NC[C@@H](C)N(C)Cc1ccccc1)c1ccco1 ZINC000160876409 525472062 /nfs/dbraw/zinc/47/20/62/525472062.db2.gz LCEKSWFGMVROKQ-HUUCEWRRSA-N 0 3 272.392 3.451 20 70 CGIDHN CCCN(CCO)Cc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000161202539 572883268 /nfs/dbraw/zinc/88/32/68/572883268.db2.gz CVECJWWLDXNOQZ-CQSZACIVSA-N 0 3 295.423 3.077 20 70 CGIDHN Cc1nc2ccccn2c1CN(C)[C@H](C)C1(C)CC1 ZINC000161442922 282089482 /nfs/dbraw/zinc/08/94/82/282089482.db2.gz POIUEOFCZRKTBL-CYBMUJFWSA-N 0 3 257.381 3.263 20 70 CGIDHN C[C@H]1C[C@H]1CNCc1cc(F)ccc1Br ZINC000160533318 232245546 /nfs/dbraw/zinc/24/55/46/232245546.db2.gz PMNBRNBCFOGFNE-IUCAKERBSA-N 0 3 272.161 3.334 20 70 CGIDHN OC[C@@H](Cc1ccccc1)NCc1ccc(Cl)cc1F ZINC000160822014 232246781 /nfs/dbraw/zinc/24/67/81/232246781.db2.gz XYTAKEJXCWESBR-OAHLLOKOSA-N 0 3 293.769 3.172 20 70 CGIDHN CC[C@@H](NCCOC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000160931989 346173619 /nfs/dbraw/zinc/17/36/19/346173619.db2.gz GJDTVMSJFDOIQE-HZPDHXFCSA-N 0 3 281.371 3.062 20 70 CGIDHN CCCCN(C(=O)[C@H](C)N)[C@H](CC)c1ccccc1 ZINC000159781307 372180060 /nfs/dbraw/zinc/18/00/60/372180060.db2.gz NOOFOWZBYWXUKV-DZGCQCFKSA-N 0 3 262.397 3.114 20 70 CGIDHN C[C@H](CSC(C)(C)C)NCc1cn2ccccc2n1 ZINC000159420711 372141324 /nfs/dbraw/zinc/14/13/24/372141324.db2.gz IYELVIIOJIIYQL-GFCCVEGCSA-N 0 3 277.437 3.344 20 70 CGIDHN CC(C)c1ccc(C2(CNC(=O)[C@@H](C)N)CCCC2)cc1 ZINC000159473308 372147538 /nfs/dbraw/zinc/14/75/38/372147538.db2.gz UQZZIGVBRFZOBA-CQSZACIVSA-N 0 3 288.435 3.085 20 70 CGIDHN CCSCCN1CCC[C@H]1c1cccc(C)n1 ZINC000159702282 372172159 /nfs/dbraw/zinc/17/21/59/372172159.db2.gz QUMWNHQBQRZZNX-AWEZNQCLSA-N 0 3 250.411 3.280 20 70 CGIDHN CCCO[C@H]1CCCN(Cc2ccc(C)cn2)CC1 ZINC000160109105 372214056 /nfs/dbraw/zinc/21/40/56/372214056.db2.gz IZIYMOOVEYFCII-INIZCTEOSA-N 0 3 262.397 3.171 20 70 CGIDHN CCC1(CC)[C@H](N[C@@H](C)c2cccnc2)C[C@@H]1OC ZINC000160109735 372214482 /nfs/dbraw/zinc/21/44/82/372214482.db2.gz PYSKPZJXSUEWBK-CFVMTHIKSA-N 0 3 262.397 3.326 20 70 CGIDHN CC[C@]1(C)C[C@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000160166085 372220468 /nfs/dbraw/zinc/22/04/68/372220468.db2.gz NBCCMSJCMOHLHE-FUHWJXTLSA-N 0 3 288.435 3.061 20 70 CGIDHN CCc1nc(CN[C@@H](C)c2cccc3ccccc32)n[nH]1 ZINC000160272604 372232530 /nfs/dbraw/zinc/23/25/30/372232530.db2.gz XWXGZKUGVMCHAH-LBPRGKRZSA-N 0 3 280.375 3.371 20 70 CGIDHN CCCC(=O)Nc1cccc(CN[C@@H](COC)C(C)C)c1 ZINC000159922379 372194894 /nfs/dbraw/zinc/19/48/94/372194894.db2.gz LVMZSHGXGWFGDT-INIZCTEOSA-N 0 3 292.423 3.186 20 70 CGIDHN COCCN(Cc1ccccc1)Cc1ccc(COC)cc1 ZINC000160443725 372247398 /nfs/dbraw/zinc/24/73/98/372247398.db2.gz QPDHFSRTAAHTHL-UHFFFAOYSA-N 0 3 299.414 3.482 20 70 CGIDHN Cc1cccc([C@H](C)NC(=O)C2(N)CCCCC2)c1C ZINC000160835961 372281512 /nfs/dbraw/zinc/28/15/12/372281512.db2.gz CLGRFSIKAONUIA-AWEZNQCLSA-N 0 3 274.408 3.142 20 70 CGIDHN c1c(CNCCCC2CCCC2)nc2ccccn12 ZINC000218212881 376185367 /nfs/dbraw/zinc/18/53/67/376185367.db2.gz PEYLHAXEARDBOQ-UHFFFAOYSA-N 0 3 257.381 3.394 20 70 CGIDHN C[C@H]1CCC[C@H](CNCc2cn3ccccc3n2)C1 ZINC000218237588 376186531 /nfs/dbraw/zinc/18/65/31/376186531.db2.gz VOCDKRXHKMFZDT-KBPBESRZSA-N 0 3 257.381 3.250 20 70 CGIDHN COC(CN1CCCC[C@@H]1c1ccc(C)cc1)OC ZINC000161234600 292079074 /nfs/dbraw/zinc/07/90/74/292079074.db2.gz YGPWPIVKVVBLCB-OAHLLOKOSA-N 0 3 263.381 3.141 20 70 CGIDHN CN(Cc1cccc(Cl)c1)C[C@@H](O)Cc1ccccc1 ZINC000218689061 270085451 /nfs/dbraw/zinc/08/54/51/270085451.db2.gz DKNODIFYNXGCHE-KRWDZBQOSA-N 0 3 289.806 3.375 20 70 CGIDHN Cc1ccc([C@H](C)NCC[S@](=O)c2ccccc2)cc1 ZINC000160789736 525919845 /nfs/dbraw/zinc/91/98/45/525919845.db2.gz GMLBGOZYYAODNF-MGPUTAFESA-N 0 3 287.428 3.453 20 70 CGIDHN C(CN1CCC(OC2CCCCC2)CC1)OCC1CC1 ZINC000159888798 527478072 /nfs/dbraw/zinc/47/80/72/527478072.db2.gz LDBSFWZETOUIRT-UHFFFAOYSA-N 0 3 281.440 3.227 20 70 CGIDHN CCSCc1cccc(NC(=O)[C@H]2CCCCN2)c1 ZINC000160421857 529200169 /nfs/dbraw/zinc/20/01/69/529200169.db2.gz IMHJLALADKDRSP-CQSZACIVSA-N 0 3 278.421 3.020 20 70 CGIDHN Cc1cccc([C@H](C)C(=O)N[C@H](C)CN2CCCCC2)c1 ZINC000159755037 346168538 /nfs/dbraw/zinc/16/85/38/346168538.db2.gz ZTKPQZHOAUBXHY-CVEARBPZSA-N 0 3 288.435 3.089 20 70 CGIDHN COc1ccccc1-c1ccc([C@H](C)NCCO)cc1 ZINC000159687304 372168659 /nfs/dbraw/zinc/16/86/59/372168659.db2.gz UYCSPBKSJZDODX-ZDUSSCGKSA-N 0 3 271.360 3.005 20 70 CGIDHN CC[C@@H](CN[C@@H](C)c1cnn(C)c1)Oc1ccccc1F ZINC000160316877 372237293 /nfs/dbraw/zinc/23/72/93/372237293.db2.gz GABHVGVUSGSCKU-JSGCOSHPSA-N 0 3 291.370 3.067 20 70 CGIDHN COc1ccc(CN(C)Cc2ccc(NC(C)=O)cc2)cc1 ZINC000159858370 372186732 /nfs/dbraw/zinc/18/67/32/372186732.db2.gz DKZYCOOHRDLWNM-UHFFFAOYSA-N 0 3 298.386 3.286 20 70 CGIDHN CCn1cc([C@@H](C)NC[C@H](C)N2CCc3ccccc32)cn1 ZINC000159924694 372194138 /nfs/dbraw/zinc/19/41/38/372194138.db2.gz PYRBMQQHZQPAJL-LSDHHAIUSA-N 0 3 298.434 3.005 20 70 CGIDHN CCOc1ccc([C@@H](C)N[C@H](CC)COC)cc1OC ZINC000159975341 372199864 /nfs/dbraw/zinc/19/98/64/372199864.db2.gz HZEZJPUVOLJNFB-TZMCWYRMSA-N 0 3 281.396 3.170 20 70 CGIDHN CC(C)(N)C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000161089591 372300846 /nfs/dbraw/zinc/30/08/46/372300846.db2.gz QLJVQAMWJQALTH-UHFFFAOYSA-N 0 3 298.386 3.079 20 70 CGIDHN C[C@H]1C[C@@H](N(C)C(=O)C2CCC(C)(C)CC2)CCN1C ZINC000160658636 372267006 /nfs/dbraw/zinc/26/70/06/372267006.db2.gz MUSNNEZPNJRIOZ-ZFWWWQNUSA-N 0 3 280.456 3.144 20 70 CGIDHN COc1ccccc1[C@@H](C)NC[C@H](CO)c1ccccc1 ZINC000161471826 372327904 /nfs/dbraw/zinc/32/79/04/372327904.db2.gz ZVSFDMHWMXRMNP-GDBMZVCRSA-N 0 3 285.387 3.122 20 70 CGIDHN C[C@@H]1CCC[C@H](CNCc2cn3ccccc3n2)C1 ZINC000218237511 376186814 /nfs/dbraw/zinc/18/68/14/376186814.db2.gz VOCDKRXHKMFZDT-KGLIPLIRSA-N 0 3 257.381 3.250 20 70 CGIDHN C[C@@H](C1CC1)N(Cc1ccccc1)Cc1cncnc1 ZINC000159670871 542150262 /nfs/dbraw/zinc/15/02/62/542150262.db2.gz IQPZTCBDZDSULH-AWEZNQCLSA-N 0 3 267.376 3.277 20 70 CGIDHN CCn1c2ccccc2nc1CN[C@H](C)C1CCC1 ZINC000160173777 542152386 /nfs/dbraw/zinc/15/23/86/542152386.db2.gz MBSLSMISZPAQKP-GFCCVEGCSA-N 0 3 257.381 3.334 20 70 CGIDHN CC(C)(C)OC(=O)NCCN[C@H](c1cccs1)C1CC1 ZINC000218083602 270085633 /nfs/dbraw/zinc/08/56/33/270085633.db2.gz UAEPORKRZBBUAT-ZDUSSCGKSA-N 0 3 296.436 3.314 20 70 CGIDHN C[C@H](N[C@@H]1CCCc2cc(F)ccc21)C(=O)NC(C)(C)C ZINC000159539542 279509503 /nfs/dbraw/zinc/50/95/03/279509503.db2.gz RGAKDKWHGVPGOX-XHDPSFHLSA-N 0 3 292.398 3.096 20 70 CGIDHN CC(C)[C@H](NCCC(C)(C)C)c1nnc2ccccn21 ZINC000159607806 321837214 /nfs/dbraw/zinc/83/72/14/321837214.db2.gz SVSZNWHUFGRJLE-AWEZNQCLSA-N 0 3 274.412 3.452 20 70 CGIDHN CN(C)Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000160064720 321845712 /nfs/dbraw/zinc/84/57/12/321845712.db2.gz ZDDONPQMNOJSEI-QGZVFWFLSA-N 0 3 297.402 3.054 20 70 CGIDHN CC[C@@]1(C)CCCN(Cc2cnc3ccccn23)C1 ZINC000160865141 523709570 /nfs/dbraw/zinc/70/95/70/523709570.db2.gz AGSNQMDWIPYCMN-INIZCTEOSA-N 0 3 257.381 3.346 20 70 CGIDHN Cc1cccc(C)c1CNC[C@@H](c1ccco1)N(C)C ZINC000160411562 524260086 /nfs/dbraw/zinc/26/00/86/524260086.db2.gz MEFLXBBDWDEDBZ-INIZCTEOSA-N 0 3 272.392 3.289 20 70 CGIDHN CC(C)(C)NC(=O)CN[C@@H](c1cccs1)C1CCCC1 ZINC000159876423 526313326 /nfs/dbraw/zinc/31/33/26/526313326.db2.gz AXZXAGGRECDMNQ-OAHLLOKOSA-N 0 3 294.464 3.484 20 70 CGIDHN CCCCCN1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000216776264 572383555 /nfs/dbraw/zinc/38/35/55/572383555.db2.gz PNHLJCZDXSGMMP-UHFFFAOYSA-N 0 3 294.414 3.142 20 70 CGIDHN CCCOc1cccc(CN2CCCC[C@H]2CCO)c1 ZINC000159735471 372173949 /nfs/dbraw/zinc/17/39/49/372173949.db2.gz LMXAQRBQJADNBI-INIZCTEOSA-N 0 3 277.408 3.212 20 70 CGIDHN CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000160101149 372212902 /nfs/dbraw/zinc/21/29/02/372212902.db2.gz OKRMOKXCFNFMPZ-RDJZCZTQSA-N 0 3 288.435 3.447 20 70 CGIDHN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1cccc(C)c1 ZINC000160136538 372216285 /nfs/dbraw/zinc/21/62/85/372216285.db2.gz NDNQDPDLFYKMNH-CHWSQXEVSA-N 0 3 257.381 3.449 20 70 CGIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cccc(F)n1 ZINC000160221817 372225741 /nfs/dbraw/zinc/22/57/41/372225741.db2.gz FOWFDNXJRLWPLU-HIFRSBDPSA-N 0 3 285.366 3.153 20 70 CGIDHN CC[C@@H](CN[C@H](C)c1cnn(C)c1)Oc1ccccc1F ZINC000160317129 372237509 /nfs/dbraw/zinc/23/75/09/372237509.db2.gz GABHVGVUSGSCKU-OCCSQVGLSA-N 0 3 291.370 3.067 20 70 CGIDHN CCN1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000160336882 372239002 /nfs/dbraw/zinc/23/90/02/372239002.db2.gz WUKAHNKROUSABG-BZUAXINKSA-N 0 3 292.467 3.193 20 70 CGIDHN CC(C)N(CCc1nccs1)CCC(F)(F)F ZINC000159828489 372185389 /nfs/dbraw/zinc/18/53/89/372185389.db2.gz HZMPQMJEZJOXDU-UHFFFAOYSA-N 0 3 266.332 3.348 20 70 CGIDHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000159908735 372192617 /nfs/dbraw/zinc/19/26/17/372192617.db2.gz ZHHAYXSROZTNHE-KGLIPLIRSA-N 0 3 292.448 3.116 20 70 CGIDHN COc1ccc([C@@H](C)N[C@H]2CCOC(C)(C)C2)c(F)c1 ZINC000159952757 372197901 /nfs/dbraw/zinc/19/79/01/372197901.db2.gz LBGFUWGIIPWTGO-NEPJUHHUSA-N 0 3 281.371 3.443 20 70 CGIDHN COc1ccc2c(c1)[C@@H](N[C@H](CCO)c1ccccc1)CC2 ZINC000160987229 372292275 /nfs/dbraw/zinc/29/22/75/372292275.db2.gz QMTQHDGIGLDLHI-MOPGFXCFSA-N 0 3 297.398 3.396 20 70 CGIDHN CCC[C@@H](N)C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000160987911 372293238 /nfs/dbraw/zinc/29/32/38/372293238.db2.gz ADHGPSZDZTWJFU-LDYMZIIASA-N 0 3 289.206 3.298 20 70 CGIDHN CCOc1ccc(Cl)cc1[C@@H](C)NCC(C)(C)O ZINC000160609419 372263161 /nfs/dbraw/zinc/26/31/61/372263161.db2.gz KOCCQECKFOORTE-SNVBAGLBSA-N 0 3 271.788 3.160 20 70 CGIDHN CC[C@@H](NCCOCC(C)C)c1ccc2c(c1)OCCO2 ZINC000160690196 372268246 /nfs/dbraw/zinc/26/82/46/372268246.db2.gz AHUDDAXOMAEHKX-OAHLLOKOSA-N 0 3 293.407 3.171 20 70 CGIDHN C[C@@H](O)C(C)(C)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000161131073 372304494 /nfs/dbraw/zinc/30/44/94/372304494.db2.gz VKCUTKFNFXFQDW-MRVPVSSYSA-N 0 3 279.277 3.094 20 70 CGIDHN CC[C@@H](NCc1cnn(C)c1C)c1ccc(F)cc1 ZINC000161308019 372316257 /nfs/dbraw/zinc/31/62/57/372316257.db2.gz DRIGCPZXFOUJCC-OAHLLOKOSA-N 0 3 261.344 3.109 20 70 CGIDHN CCC[C@@H](C)[C@H]1CCCN1Cc1nnc(C)n1CCC ZINC000161429092 372324186 /nfs/dbraw/zinc/32/41/86/372324186.db2.gz QYGBAEWPPQIIHA-UKRRQHHQSA-N 0 3 278.444 3.397 20 70 CGIDHN C[C@@H](N[C@H]1CCC[C@@H](C)C1)c1nnc2n1CCCCC2 ZINC000218152441 287067833 /nfs/dbraw/zinc/06/78/33/287067833.db2.gz MPMRNQLZVMJLRK-MCIONIFRSA-N 0 3 276.428 3.234 20 70 CGIDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(C(C)C)cc1)CC2 ZINC000160301914 279143699 /nfs/dbraw/zinc/14/36/99/279143699.db2.gz MGQWKLCXWUSOBZ-SUMWQHHRSA-N 0 3 298.434 3.376 20 70 CGIDHN COc1ccccc1N1CC[C@H](N[C@@H](C)c2ccccn2)C1 ZINC000159362486 295372386 /nfs/dbraw/zinc/37/23/86/295372386.db2.gz HQQRKJRDNSEWID-GJZGRUSLSA-N 0 3 297.402 3.020 20 70 CGIDHN C/C(=C/c1ccc(Cl)cc1)CNCc1cnn(C)c1 ZINC000160114889 321846754 /nfs/dbraw/zinc/84/67/54/321846754.db2.gz OORPHTAZBLZQLM-GHXNOFRVSA-N 0 3 275.783 3.267 20 70 CGIDHN CC(C)c1ccc(OCCN[C@@H](C)c2cnn(C)c2)cc1 ZINC000160333658 321850371 /nfs/dbraw/zinc/85/03/71/321850371.db2.gz BPBCIGVYODKEDP-AWEZNQCLSA-N 0 3 287.407 3.273 20 70 CGIDHN CCOC[C@H](C)NCCOc1cccc(C(F)(F)F)c1 ZINC000160496091 520138603 /nfs/dbraw/zinc/13/86/03/520138603.db2.gz PAAJLFDTDRYNSS-NSHDSACASA-N 0 3 291.313 3.099 20 70 CGIDHN CCSCCN(Cc1cccc(O)c1)CC1CC1 ZINC000159912819 529179258 /nfs/dbraw/zinc/17/92/58/529179258.db2.gz FYNFJYVAFWJDFO-UHFFFAOYSA-N 0 3 265.422 3.357 20 70 CGIDHN CCOC(=O)CCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC000160958005 346173685 /nfs/dbraw/zinc/17/36/85/346173685.db2.gz WKWLMSJMJIVEEM-LBPRGKRZSA-N 0 3 267.344 3.162 20 70 CGIDHN C[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)c1ccccc1 ZINC000217937401 346292046 /nfs/dbraw/zinc/29/20/46/346292046.db2.gz VVELMJUFCUENGZ-WMLDXEAASA-N 0 3 286.419 3.271 20 70 CGIDHN CCC(CC)(CO)CN[C@H](C)c1ccccc1OC ZINC000161323883 188521379 /nfs/dbraw/zinc/52/13/79/188521379.db2.gz BGHCQRRILDECDJ-CYBMUJFWSA-N 0 3 265.397 3.145 20 70 CGIDHN CC[C@@H](C(=O)NCC(C)(C)c1ccc(Cl)cc1)N(C)C ZINC000159387184 372137517 /nfs/dbraw/zinc/13/75/17/372137517.db2.gz WYNOCZGMPCJLTI-AWEZNQCLSA-N 0 3 296.842 3.074 20 70 CGIDHN O=C(NC[C@@H](c1cccs1)N1CCCC1)C1=CCCC1 ZINC000159670602 372166770 /nfs/dbraw/zinc/16/67/70/372166770.db2.gz OXAAZOPYAPEFRI-AWEZNQCLSA-N 0 3 290.432 3.112 20 70 CGIDHN COc1cccc([C@@H](C)N(C)CCOCC2CC2)c1 ZINC000159763097 372178537 /nfs/dbraw/zinc/17/85/37/372178537.db2.gz BXINYBGHCJWFLO-CYBMUJFWSA-N 0 3 263.381 3.115 20 70 CGIDHN CC[C@H](NCC1(CO)CCCC1)c1ccccc1OC ZINC000160072471 372208274 /nfs/dbraw/zinc/20/82/74/372208274.db2.gz FDDKCEXCWAXVGS-HNNXBMFYSA-N 0 3 277.408 3.289 20 70 CGIDHN CCOc1ccccc1[C@H](C)NCC1(CO)CCCC1 ZINC000160069243 372209077 /nfs/dbraw/zinc/20/90/77/372209077.db2.gz CKQKGUGLRXYWSJ-AWEZNQCLSA-N 0 3 277.408 3.289 20 70 CGIDHN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1cccc(C)c1 ZINC000160182224 372221750 /nfs/dbraw/zinc/22/17/50/372221750.db2.gz NDNQDPDLFYKMNH-QWHCGFSZSA-N 0 3 257.381 3.449 20 70 CGIDHN COc1ccc([C@H](C)NC[C@@H]2CCC(C)(C)O2)cc1OC ZINC000160231986 372227692 /nfs/dbraw/zinc/22/76/92/372227692.db2.gz LFEDNCRQJYJLLN-JSGCOSHPSA-N 0 3 293.407 3.312 20 70 CGIDHN COc1cc(CN(C)CCOCC2CC2)ccc1SC ZINC000159814275 372182971 /nfs/dbraw/zinc/18/29/71/372182971.db2.gz JLRBERPVLDMHRW-UHFFFAOYSA-N 0 3 295.448 3.276 20 70 CGIDHN C[C@@H](NC[C@H](C)N1CCc2ccccc21)c1ccco1 ZINC000159927760 372194914 /nfs/dbraw/zinc/19/49/14/372194914.db2.gz NOOMFIRROKXLNW-UONOGXRCSA-N 0 3 270.376 3.381 20 70 CGIDHN COc1cccc(OCCCN[C@@H](C)c2cccnc2)c1 ZINC000160993382 372292339 /nfs/dbraw/zinc/29/23/39/372292339.db2.gz BMVGFSJLSGIIMI-AWEZNQCLSA-N 0 3 286.375 3.210 20 70 CGIDHN Cc1cccc([C@H](C)NC(=O)[C@@H](N)Cc2ccccc2)c1C ZINC000160833963 372279126 /nfs/dbraw/zinc/27/91/26/372279126.db2.gz GUQUXLVFFVUZTM-YJBOKZPZSA-N 0 3 296.414 3.051 20 70 CGIDHN Cc1cc(OCc2ccccc2)ccc1NC(=O)C(C)(C)N ZINC000160844207 372281850 /nfs/dbraw/zinc/28/18/50/372281850.db2.gz QGCAKCKDOJAZOM-UHFFFAOYSA-N 0 3 298.386 3.250 20 70 CGIDHN CN(Cc1cnn(C)c1)CC12CC3CC(CC(C3)C1)C2 ZINC000218757663 376189206 /nfs/dbraw/zinc/18/92/06/376189206.db2.gz UEYVGNJTDHVMKX-UHFFFAOYSA-N 0 3 273.424 3.068 20 70 CGIDHN CN(C)c1ccc(CN[C@H](c2ccccc2)C2CC2)cn1 ZINC000159660537 542150925 /nfs/dbraw/zinc/15/09/25/542150925.db2.gz IRPVCTULUBUSGJ-GOSISDBHSA-N 0 3 281.403 3.389 20 70 CGIDHN Cc1ccccc1[C@H](NC(=O)[C@H](C)N)C1CCC(C)CC1 ZINC000159685700 542150417 /nfs/dbraw/zinc/15/04/17/542150417.db2.gz QGYNQURWIBDXHI-ARMAHUPYSA-N 0 3 288.435 3.326 20 70 CGIDHN COc1cccc(Cl)c1CNC1C[C@@H](C)O[C@H](C)C1 ZINC000218146175 287628494 /nfs/dbraw/zinc/62/84/94/287628494.db2.gz LVHPOPCOFRUBAK-GHMZBOCLSA-N 0 3 283.799 3.394 20 70 CGIDHN CCN1CCCC[C@H]1CN[C@@H](C)c1cccnc1Cl ZINC000161173438 276160855 /nfs/dbraw/zinc/16/08/55/276160855.db2.gz UXOXPQQGPWYJJZ-STQMWFEESA-N 0 3 281.831 3.260 20 70 CGIDHN Cc1ccccc1[C@H](CC(C)C)NCC(=O)NC(C)C ZINC000161007935 525422475 /nfs/dbraw/zinc/42/24/75/525422475.db2.gz OVBJZJATCYOURQ-INIZCTEOSA-N 0 3 276.424 3.196 20 70 CGIDHN